COMMENT Amino acid library with coordinates and energy parameters corre- sponding to the ECEPP force field. This library contains all atoms including hydrogens as well as pseudoatoms. Modified from Thomas Schaumann's (FANTOM) library PEC.FM. April 1988, M. Billeter Modified from Martin Billeter's (ELLIPSOID) library ECEPP.ALL, in order to incorporate the pseudoatoms of methyl groups into the unit PRECEDING the methyl group (since these pseudo atoms stay when the methyl protons are rotated). September 1988, Peter G"untert Special entry with data specific to CONFOR included. The first 3 lines contain overlap data, the other three lines contain repre- sentation data. A new number for each residue indicating hydro- philicity (ref.: Kyte and Doolitle) included. For the STARTGRP, HEADRES and TAILRES entries this number is set to zero. Februar 1989, Peter G"untert CHI32 of ASN, CHI42 of GLN, CHI5, CHI61 and CHI62 of ARG and ARG+ eliminated. With respect to the old definitions these angles were fixed at the following positions: CHI32 = CHI42 = 0, CHI5 = CHI61 CHI62 = 180 degrees. July 1990, Peter G"untert ATOMTYPES entry added to define van der Waals radii, hydrogen bond capabilities and heavy atoms. December 1990, Peter G"untert DNA entries added. This includes a new atom type, P_ALI, a second CONFOR entry, and four RESIDUE entries for the 4 nucleotides. The coordinates for the nucleotides are based on the PDB file 1BDN. Only data required by DIANA or CONFOR is set correctly. January 1991, Peter G"untert Expected chemical shifts (mean value) and there ranges (standard deviation) added. Reference for protons: Karl-Heinz Gross et al., JMR (1988) 76, 87-99. December 1991, Christian Bartels 15N random coil shifts for GLY amide nitrogens set to 110 +/- 10 ppp. 13C random coil shifts of C-alpha and C-beta for all amino acids set to values of Spera, S. & Bax, A; JACS (1991), 113, 5490 - 5492. Ranges reduced from 3.00 ppm to 2.00 ppm for C-alpha and C-beta. January, 9, 1997, W. Klaus ATOMTYPES 18 1 PSEUD -10.00 0 0 2 H_ALI 1.00 0 0 3 H_AMI 0.95 1 0 4 H_ARO 1.00 0 0 5 H_SUL 1.00 0 0 6 H_OXY 1.00 1 0 7 C_ALI 1.40 0 1 8 C_BYL 1.40 0 1 9 C_ARO 1.35 0 1 10 C_VIN 1.40 0 1 11 N_AMI 1.30 -1 1 12 N_AMO 1.30 0 1 13 O_BYL 1.20 -1 1 14 O_HYD 1.20 -1 1 15 O_EST 1.20 -1 1 16 S_OXY 1.60 0 1 17 S_RED 1.60 0 1 18 P_ALI 1.60 0 1 STARTGRP NH2 0 3 1 1 0 0 1 HN2 H_AMI 0 3.2103 -0.3798 0.4701 0.8142 2 0 0 0 0 2 N N_AMI 2 -6.4912 0.0000 0.0000 0.0000 1 3 0 0 0 3 HN1 H_AMI 0 3.2103 -0.3798 -0.9402 0.0000 2 0 0 0 0 STARTGRP NH3+ 0 4 1 2 0 1 1 HN2 H_AMI 0 5.2043 -0.3380 0.4780 0.8279 3 0 0 0 0 2 HN3 H_AMI 0 5.2043 -0.3380 0.4780 -0.8279 3 0 0 0 0 3 N N_AMO 2 -6.4912 0.0000 0.0000 0.0000 1 2 4 0 0 4 HN1 H_AMI 0 5.2043 -0.3380 -0.9560 0.0000 3 0 0 0 0 1 QN PSEUD 3 HN1 HN2 HN3 HEADRES COCH3 1 7 1 6 0 1 1 ACYL 0 0 0.0000 1 4 5 7 0 1 H11 H_ALI 0 0.3677 -2.6331 -1.9640 0.0000 4 0 0 0 0 2 H12 H_ALI 0 0.3677 -2.4719 -0.4310 0.8900 4 0 0 0 0 3 H13 H_ALI 0 0.3677 -2.4719 -0.4310 -0.8900 4 0 0 0 0 4 C1 C_ALI 3 -2.3476 -2.1643 -0.9800 0.0000 1 2 3 5 0 5 C C_BYL 2 8.2731 -0.6824 -1.1357 0.0000 4 6 7 0 0 6 O O_BYL 2 -7.0286 -0.1723 -2.2550 0.0000 5 0 0 0 0 7 N N_AMI 2 -6.4912 0.0000 0.0000 0.0000 5 0 0 0 0 1 QH PSEUD 3 H11 H12 H13 HEADRES NCOH 0 4 1 3 0 0 1 H H_ARO 0 -0.9051 1.7320 -0.8281 0.0000 2 0 0 0 0 2 C C_BYL 2 7.8347 -0.6901 -1.1486 0.0000 1 3 4 0 0 3 O O_BYL 2 -6.9296 -0.1583 -2.2687 0.0000 2 0 0 0 0 4 N N_AMI 2 -6.4912 0.0000 0.0000 0.0000 2 0 0 0 0 TAILRES COO- 0 4 4 4 0 0 1 CA C_ALI 3 1.1597 -1.5300 0.0000 0.0000 2 0 0 0 0 2 C C_BYL 2 8.2024 0.0000 0.0000 0.0000 1 3 4 0 0 3 O O_BYL 2 -9.7015 0.5675 1.1138 0.0000 2 0 0 0 0 4 OB O_BYL 2 -9.7015 0.5675 -1.1138 0.0000 2 0 0 0 0 TAILRES COOH 1 5 4 5 0 0 1 OCOH -1 2 4.0000 3 2 4 5 0 1 CA C_ALI 3 1.1597 -1.5300 0.0000 0.0000 2 0 0 0 0 2 C C_BYL 2 8.2024 0.0000 0.0000 0.0000 1 3 4 0 0 3 O O_BYL 2 -6.9296 0.6243 1.0598 0.0000 2 0 0 0 0 4 O2 O_HYD 3 -6.9296 0.5452 -1.1691 0.0000 2 5 0 0 0 5 H H_OXY 0 3.7194 1.5414 -1.0820 0.0000 4 0 0 0 0 TAILRES CONH2 1 5 3 5 0 0 1 OMEGA 0 0 0.0000 2 1 3 4 0 1 C C_BYL 2 8.2024 0.0000 0.0000 0.0000 2 3 0 0 0 2 O O_BYL 2 0.0000 0.6243 1.0598 0.0000 1 0 0 0 0 3 N N_AMI 2 -7.0994 0.5600 -1.2009 0.0000 1 4 5 0 0 4 HN1 H_AMI 0 3.5497 -0.0136 -2.0200 0.0000 3 0 0 0 0 5 HN2 H_AMI 0 3.5497 1.5562 -1.2880 0.0000 3 0 0 0 0 TAILRES CONHM 2 8 3 8 0 1 1 OMEGA 0 0 0.0000 2 1 3 4 0 2 CNCH 0 0 0.0000 1 3 5 6 0 1 C C_BYL 2 8.2024 0.0000 0.0000 0.0000 2 3 0 0 0 2 O O_BYL 2 0.0000 0.6243 1.0598 0.0000 1 0 0 0 0 3 N N_AMI 2 -6.2933 0.5600 -1.2009 0.0000 1 4 5 0 0 4 HN H_AMI 0 2.9698 0.0449 -2.0580 0.0000 3 0 0 0 0 5 C C_ALI 3 0.9051 2.0050 -1.3527 0.0000 3 6 7 8 0 6 H1 H_ALI 0 0.8061 2.4200 -0.8796 -0.8900 5 0 0 0 0 7 H2 H_ALI 0 0.8061 2.4200 -0.8796 0.8900 5 0 0 0 0 8 H3 H_ALI 0 0.8061 2.2590 -2.4127 0.0000 5 0 0 0 0 1 QH PSEUD 3 H1 H2 H3 RESIDUE BB 0 13 3 12 39 1 1 C C_BYL 2 8.2024 -0.6824 -1.1357 0.0000 2 3 0 0 0 2 O O_BYL 2 -7.0004 -0.1723 -2.2550 0.0000 1 0 0 0 0 3 N N_AMI 2 -6.4912 0.0000 0.0000 0.0000 1 4 5 0 0 115.0000 20.0000 0.0000 4 HN H_AMI 0 3.2103 -0.4226 0.9063 0.0000 3 0 0 0 0 8.2800 0.6500 0.0000 5 CA C_ALI 3 1.1597 1.4530 0.0000 0.0000 3 6 7 11 0 55.0000 3.0000 0.0000 6 HA H_ALI 0 0.3677 1.7797 -0.4805 0.9222 5 0 0 0 0 4.2300 0.4200 0.0000 7 CB C_ALI 3 -0.5515 1.9888 -0.8392 -1.1617 5 8 9 0 0 32.6000 3.0000 0.0000 8 HB2 H_ALI 0 0.2687 1.6169 -1.8605 -1.0798 7 0 0 0 9 1.7400 0.3800 0.3000 9 HB3 H_ALI 0 0.2687 1.6169 -0.4400 -2.1053 7 0 0 0 8 1.8400 0.3400 0.3000 10 QB PSEUD 0 0.0000 1.6169 -1.1502 -1.5926 0 0 0 0 0 1.8400 0.3400 1.0000 11 C C_BYL 2 8.2024 1.9587 1.4440 0.0000 5 12 13 0 0 174.9000 3.0000 0.0000 12 O O_BYL 2 -7.0004 1.1648 2.3835 0.0000 11 0 0 0 0 13 N N_AMI 2 -6.4912 3.2772 1.5756 0.0000 11 0 0 0 0 115.0000 20.0000 0.0000 1 QB PSEUD 2 CHEM HB2 HB3 RESIDUE SS 0 37 3 36 39 4 1 C C_BYL 2 8.2024 -0.6824 -1.1357 0.0000 2 3 0 0 0 2 O O_BYL 2 -7.0004 -0.1723 -2.2550 0.0000 1 0 0 0 0 3 N N_AMI 2 -6.4912 0.0000 0.0000 0.0000 1 4 5 0 0 115.0000 20.0000 0.0000 4 HN H_AMI 0 3.2103 -0.4226 0.9063 0.0000 3 0 0 0 0 8.2800 0.6500 0.0000 5 CA C_ALI 3 1.1597 1.4530 0.0000 0.0000 3 6 8 35 0 55.0000 3.0000 0.0000 6 HA H_ALI 0 0.3677 1.7797 -0.4805 0.9222 5 0 0 0 0 4.2300 0.4200 0.0000 7 QA H_ALI 0 0.3677 1.7797 -0.4805 0.9222 0 0 0 0 0 4.2300 0.4200 0.0000 8 CB C_ALI 3 -0.5515 1.9888 -0.8392 -1.1617 5 9 10 12 0 32.6000 3.0000 0.0000 9 HB2 H_ALI 0 0.2687 1.6169 -1.8605 -1.0798 8 0 0 0 9 1.7400 0.3800 0.3000 10 HB3 H_ALI 0 0.2687 1.6169 -0.4400 -2.1053 8 0 0 0 8 1.8400 0.3400 0.3000 11 QB PSEUD 0 0.0000 1.6169 -1.1502 -1.5926 0 0 0 0 0 1.8400 0.3400 1.0000 12 CG C_ALI 3 -0.4525 3.5188 -0.8471 -1.1725 8 13 14 16 0 23.7000 3.0000 0.0000 13 HG2 H_ALI 0 0.3677 3.8906 0.1742 -1.2551 12 0 0 0 14 1.3000 0.3900 0.3000 14 HG3 H_ALI 0 0.3677 3.8906 -1.2463 -0.2289 12 0 0 0 13 1.3600 0.3700 0.3000 15 QG PSEUD 0 0.0000 3.8906 -0.5361 -0.7420 0 0 0 0 0 1.3600 0.3700 1.0000 16 CD C_ALI 3 -0.5515 4.0546 -1.6863 -2.3342 12 17 18 20 0 32.2000 3.0000 0.0000 17 HD2 H_ALI 0 0.3677 3.6827 -2.7076 -2.2516 16 0 0 0 18 1.5400 0.2400 0.5000 18 HD3 H_ALI 0 0.3677 3.6827 -1.2871 -3.2778 16 0 0 0 17 1.5700 0.2300 0.5000 19 QD PSEUD 0 0.0000 3.6827 -1.9974 -2.7647 0 0 0 0 0 1.5700 0.2300 1.0000 20 CE C_ALI 3 2.0082 5.5845 -1.6941 -2.3450 16 21 22 0 0 41.7000 3.0000 0.0000 21 HE2 H_ALI 0 -0.0849 5.9587 -0.6738 -2.4289 20 0 0 0 22 2.9100 0.1300 0.5000 22 HE3 H_ALI 0 -0.0849 5.9587 -2.0943 -1.4027 20 0 0 0 21 2.9700 0.1000 0.5000 23 QE PSEUD 0 0.0000 5.9587 -1.3841 -1.9158 0 0 0 0 0 2.9700 0.1000 1.0000 24 H?1 H_ALI 0 0.2687 1.6169 -0.4400 -2.1053 0 0 0 0 0 1.8400 0.3400 0.3000 25 H?2 H_ALI 0 0.2687 1.6169 -0.4400 -2.1053 0 0 0 0 0 1.8400 0.3400 0.3000 26 H?3 H_ALI 0 0.2687 1.6169 -0.4400 -2.1053 0 0 0 0 0 1.8400 0.3400 0.3000 27 H?4 H_ALI 0 0.2687 1.6169 -0.4400 -2.1053 0 0 0 0 0 1.8400 0.3400 0.3000 28 H?5 H_ALI 0 0.2687 1.6169 -0.4400 -2.1053 0 0 0 0 0 1.8400 0.3400 0.3000 29 H?6 H_ALI 0 0.2687 1.6169 -0.4400 -2.1053 0 0 0 0 0 1.8400 0.3400 0.3000 30 C?1 C_ALI 0 0.2687 1.6169 -0.4400 -2.1053 0 0 0 0 0 35.0000 3.0000 0.3000 31 C?2 C_ALI 0 0.2687 1.6169 -0.4400 -2.1053 0 0 0 0 0 35.0000 3.0000 0.3000 32 C?3 C_ALI 0 0.2687 1.6169 -0.4400 -2.1053 0 0 0 0 0 35.0000 3.0000 0.3000 33 C?4 C_ALI 0 0.2687 1.6169 -0.4400 -2.1053 0 0 0 0 0 35.0000 3.0000 0.3000 34 N?1 N_AMI 0 0.2687 1.6169 -0.4400 -2.1053 0 0 0 0 0 115.0000 20.0000 0.3000 35 C C_BYL 2 8.2024 1.9587 1.4440 0.0000 5 36 37 0 0 174.9000 3.0000 0.0000 36 O O_BYL 2 -7.0004 1.1648 2.3835 0.0000 39 0 0 0 0 37 N N_AMI 2 -6.4912 3.2772 1.5756 0.0000 39 0 0 0 0 115.0000 20.0000 0.0000 1 QB PSEUD 2 CHEM HB2 HB3 2 QG PSEUD 2 CHEM HG2 HG3 3 QD PSEUD 2 CHEM HD2 HD3 4 QE PSEUD 2 CHEM HE2 HE3 RESIDUE ALA 4 14 3 13 -18 1 1 OMEGA -1 2 10.0000 2 1 3 4 0 2 PHI 0 0 0.0000 1 3 5 12 0 3 CHI1 1 3 1.3500 3 5 8 9 11 4 PSI 0 0 0.0000 3 5 12 14 0 1 C C_BYL 2 8.2024 -0.6824 -1.1357 0.0000 2 3 0 0 0 2 O O_BYL 2 -7.0004 -0.1723 -2.2550 0.0000 1 0 0 0 0 3 N N_AMI 2 -6.4912 0.0000 0.0000 0.0000 1 4 5 0 0 115.0000 20.0000 0.0000 4 HN H_AMI 0 3.2103 -0.4226 0.9063 0.0000 3 0 0 0 0 8.1500 0.6200 0.0000 5 CA C_ALI 3 1.1597 1.4530 0.0000 0.0000 3 6 8 12 0 52.3000 2.5000 0.0000 6 HA H_ALI 0 0.3677 1.7849 -0.4925 0.9140 5 0 0 0 0 4.2400 0.3800 0.0000 7 QB PSEUD 0 0.0000 2.0850 -0.9858 -1.4878 0 0 0 0 0 1.3200 0.2800 0.0000 8 CB C_ALI 3 -1.6546 1.9637 -0.7966 -1.2023 5 9 10 11 0 18.7000 2.0000 0.0000 9 HB1 H_ALI 0 0.7354 3.0537 -0.7963 -1.2019 8 0 0 0 0 1.3200 0.2800 1.0000 10 HB2 H_ALI 0 0.7354 1.6006 -1.8224 -1.1392 8 0 0 0 0 1.3200 0.2800 1.0000 11 HB3 H_ALI 0 0.7354 1.6006 -0.3386 -2.1223 8 0 0 0 0 1.3200 0.2800 1.0000 12 C C_BYL 2 8.2024 1.9587 1.4440 0.0000 5 13 14 0 0 175.8000 3.0000 0.0000 13 O O_BYL 2 -7.0004 1.1648 2.3835 0.0000 12 0 0 0 0 14 N N_AMI 2 -6.4912 3.2772 1.5756 0.0000 12 0 0 0 0 115.0000 20.0000 0.0000 1 QB PSEUD 3 MAGN HB1 HB2 HB3 RESIDUE ARG 7 30 3 29 45 4 1 OMEGA -1 2 10.0000 2 1 3 4 0 2 PHI 0 0 0.0000 1 3 5 28 0 3 CHI1 1 3 1.3500 3 5 7 11 27 4 CHI2 1 3 1.3500 5 7 11 15 27 5 CHI3 1 3 1.3500 7 11 15 19 27 6 CHI4 0 0 0.0000 11 15 19 21 27 7 PSI 0 0 0.0000 3 5 28 30 0 1 C C_BYL 2 8.2024 -0.6824 -1.1357 0.0000 2 3 0 0 0 2 O O_BYL 2 -7.0004 -0.1723 -2.2550 0.0000 1 0 0 0 0 3 N N_AMI 2 -6.4912 0.0000 0.0000 0.0000 1 4 5 0 0 115.0000 20.0000 0.0000 4 HN H_AMI 0 3.2103 -0.4226 0.9063 0.0000 3 0 0 0 0 8.2000 0.8300 0.0000 5 CA C_ALI 3 1.1597 1.4530 0.0000 0.0000 3 6 7 28 0 56.1000 2.5000 0.0000 6 HA H_ALI 0 0.3677 1.7317 -0.5213 0.9158 5 0 0 0 0 4.2800 0.3500 0.0000 7 CB C_ALI 3 -0.5515 2.0038 -0.7402 -1.2205 5 8 9 11 0 30.3000 2.5000 0.0000 8 HB2 H_ALI 0 0.2687 1.6375 -1.7668 -1.2235 7 0 0 0 9 1.6300 0.4300 0.0000 9 HB3 H_ALI 0 0.2687 1.6375 -0.2685 -2.1323 7 0 0 0 8 1.7900 0.3400 0.0000 10 QB PSEUD 0 0.0000 1.6375 -1.0177 -1.6779 0 0 0 0 0 1.7900 0.3400 1.0000 11 CG C_ALI 3 -0.5515 3.5338 -0.7388 -1.2182 7 12 13 15 0 25.5000 3.0000 0.0000 12 HG2 H_ALI 0 0.5515 3.9001 0.2878 -1.2152 11 0 0 0 13 1.5200 0.3400 0.0000 13 HG3 H_ALI 0 0.5515 3.9001 -1.2106 -0.3064 11 0 0 0 12 1.5600 0.3400 0.0000 14 QG PSEUD 0 0.0000 3.9001 -0.4614 -0.7608 0 0 0 0 0 1.5600 0.3400 1.0000 15 CD C_ALI 3 1.8243 4.0846 -1.4791 -2.4387 11 16 17 19 0 41.8000 3.0000 0.0000 16 HD2 H_ALI 0 0.1838 3.7230 -2.5073 -2.4444 15 0 0 0 17 3.1100 0.1900 0.0000 17 HD3 H_ALI 0 0.1838 3.7230 -1.0090 -3.3532 15 0 0 0 16 3.1400 0.1900 0.0000 18 QD PSEUD 0 0.0000 3.7230 -1.7581 -2.8988 0 0 0 0 0 3.1400 0.1900 1.0000 19 NE N_AMI 2 -6.3781 5.5643 -1.4643 -2.4144 15 20 21 0 0 115.0000 20.0000 0.0000 20 HE H_AMI 0 3.0971 6.0160 -1.0017 -1.6515 19 0 0 0 0 7.2100 0.1600 0.9800 21 CZ C_VIN 2 8.7540 6.3425 -2.0364 -3.3576 19 22 24 0 0 157.9000 3.0000 0.0000 22 NH1 N_AMI 2 -7.6509 7.6548 -1.9625 -3.2357 21 23 0 0 0 115.0000 20.0000 0.0000 23 HH1 H_AMI 0 1.6405 8.3002 -2.3586 -3.8888 22 0 0 0 0 6.7900 2.0000 0.8000 24 NH2 N_AMI 2 -7.4670 5.7870 -2.6745 -4.4096 21 25 26 0 0 115.0000 20.0000 0.0000 25 HH21 H_AMI 0 2.9133 6.3705 -3.0956 -5.1040 24 0 0 0 26 6.7900 2.0000 1.0000 26 HH22 H_AMI 0 2.9133 4.7919 -2.7260 -4.4945 24 0 0 0 25 6.7900 2.0000 1.0000 27 QH2 PSEUD 0 0.0000 5.5812 -2.9108 -4.7993 0 0 0 0 0 6.7900 2.0000 1.0000 28 C C_BYL 2 8.2024 1.9838 1.4350 0.0000 5 29 30 0 0 173.4000 3.0000 0.0000 29 O O_BYL 2 -7.0004 1.2064 2.3881 0.0000 28 0 0 0 0 30 N N_AMI 2 -6.4912 3.3043 1.5436 0.0000 28 0 0 0 0 115.0000 20.0000 0.0000 1 QB PSEUD 2 CHEM HB2 HB3 2 QG PSEUD 2 CHEM HG2 HG3 3 QD PSEUD 2 CHEM HD2 HD3 4 QH2 PSEUD 2 CHEM HH21 HH22 RESIDUE ARG+ 7 32 3 31 45 5 1 OMEGA -1 2 10.0000 2 1 3 4 0 2 PHI 0 0 0.0000 1 3 5 30 0 3 CHI1 1 3 1.3500 3 5 7 11 29 4 CHI2 1 3 1.3500 5 7 11 15 29 5 CHI3 1 3 1.3500 7 11 15 19 29 6 CHI4 0 0 0.0000 11 15 19 21 29 7 PSI 0 0 0.0000 3 5 30 32 0 1 C C_BYL 2 8.2024 -0.6824 -1.1357 0.0000 2 3 0 0 0 2 O O_BYL 2 -7.0004 -0.1723 -2.2550 0.0000 1 0 0 0 0 3 N N_AMI 2 -6.4912 0.0000 0.0000 0.0000 1 4 5 0 0 115.0000 20.0000 0.0000 4 HN H_AMI 0 3.2103 -0.4226 0.9063 0.0000 3 0 0 0 0 8.2000 0.8300 0.0000 5 CA C_ALI 3 1.1597 1.4530 0.0000 0.0000 3 6 7 30 0 56.1000 2.5000 0.0000 6 HA H_ALI 0 0.3677 1.7317 -0.5213 0.9158 5 0 0 0 0 4.2800 0.3500 0.0000 7 CB C_ALI 3 -0.5515 2.0038 -0.7402 -1.2205 5 8 9 11 0 30.3000 2.5000 0.0000 8 HB2 H_ALI 0 0.2687 1.6375 -1.7668 -1.2235 7 0 0 0 9 1.6300 0.4300 0.0000 9 HB3 H_ALI 0 0.2687 1.6375 -0.2685 -2.1323 7 0 0 0 8 1.7900 0.3400 0.0000 10 QB PSEUD 0 0.0000 1.6375 -1.0177 -1.6779 0 0 0 0 0 1.7900 0.3400 1.0000 11 CG C_ALI 3 -0.5515 3.5338 -0.7388 -1.2182 7 12 13 15 0 25.5000 3.0000 0.0000 12 HG2 H_ALI 0 0.5515 3.9001 0.2878 -1.2152 11 0 0 0 13 1.5200 0.3400 0.0000 13 HG3 H_ALI 0 0.5515 3.9001 -1.2106 -0.3064 11 0 0 0 12 1.5600 0.3400 0.0000 14 QG PSEUD 0 0.0000 3.9001 -0.4614 -0.7608 0 0 0 0 0 1.5600 0.3400 1.0000 15 CD C_ALI 3 2.2062 4.0846 -1.4791 -2.4387 11 16 17 19 0 41.8000 3.0000 0.0000 16 HD2 H_ALI 0 0.1980 3.7230 -2.5073 -2.4444 15 0 0 0 17 3.1100 0.1900 0.0000 17 HD3 H_ALI 0 0.1980 3.7230 -1.0090 -3.3532 15 0 0 0 16 3.1400 0.1900 0.0000 18 QD PSEUD 0 0.0000 3.7230 -1.7581 -2.8988 0 0 0 0 0 3.1400 0.1900 1.0000 19 NE N_AMI 2 -5.4589 5.5643 -1.4643 -2.4144 15 20 21 0 0 115.0000 20.0000 0.0000 20 HE H_AMI 0 4.1861 6.0160 -1.0017 -1.6515 19 0 0 0 0 7.2100 0.1600 0.8000 21 CZ C_VIN 2 10.5783 6.3367 -2.0321 -3.3506 19 22 26 0 0 157.9000 9.0000 0.0000 22 NH1 N_AMO 2 -7.0852 7.6712 -1.9691 -3.2468 21 23 24 0 0 23 HH11 H_AMI 0 5.1195 8.2477 -2.3929 -3.9454 22 0 0 0 24 6.7900 2.0000 0.8000 24 HH12 H_AMI 0 5.1195 8.0907 -1.4983 -2.4706 22 0 0 0 23 6.7900 2.0000 0.8000 25 QH1 PSEUD 0 0.0000 8.1692 -1.9456 -3.2080 0 0 0 0 0 6.7900 2.0000 0.8000 26 NH2 N_AMO 2 -7.0852 5.7747 -2.6630 -4.3906 21 27 28 0 0 27 HH21 H_AMI 0 5.1195 6.3512 -3.0868 -5.0893 26 0 0 0 28 6.7900 2.0000 1.0000 28 HH22 H_AMI 0 5.1195 4.7788 -2.7101 -4.4681 26 0 0 0 27 6.7900 2.0000 1.0000 29 QH2 PSEUD 0 0.0000 5.5650 -2.8985 -4.7787 0 0 0 0 0 6.7900 2.0000 1.0000 30 C C_BYL 2 8.2024 1.9838 1.4350 0.0000 5 31 32 0 0 173.4000 3.0000 0.0000 31 O O_BYL 2 -7.0004 1.2064 2.3881 0.0000 30 0 0 0 0 32 N N_AMI 2 -6.4912 3.3043 1.5436 0.0000 30 0 0 0 0 115.0000 20.0000 0.0000 1 QB PSEUD 2 CHEM HB2 HB3 2 QG PSEUD 2 CHEM HG2 HG3 3 QD PSEUD 2 CHEM HD2 HD3 4 QH1 PSEUD 2 CHEM HH11 HH12 5 QH2 PSEUD 2 CHEM HH21 HH22 RESIDUE ASN 5 19 3 18 35 2 1 OMEGA -1 2 10.0000 2 1 3 4 0 2 PHI 0 0 0.0000 1 3 5 17 0 3 CHI1 1 3 1.3500 3 5 7 11 16 4 CHI2 0 0 0.0000 5 7 11 12 16 5 PSI 0 0 0.0000 3 5 17 19 0 1 C C_BYL 2 8.2024 -0.6824 -1.1357 0.0000 2 3 0 0 0 2 O O_BYL 2 -7.0004 -0.1723 -2.2550 0.0000 1 0 0 0 0 3 N N_AMI 2 -6.4912 0.0000 0.0000 0.0000 1 4 5 0 0 115.0000 20.0000 0.0000 4 HN H_AMI 0 3.2103 -0.4226 0.9063 0.0000 3 0 0 0 0 8.2900 0.6200 0.0000 5 CA C_ALI 3 1.1597 1.4530 0.0000 0.0000 3 6 7 17 0 52.8000 2.5000 0.0000 6 HA H_ALI 0 0.3677 1.7394 -0.5422 0.9011 5 0 0 0 0 4.7300 0.3000 0.0000 7 CB C_ALI 3 -2.1920 2.0038 -0.6938 -1.2474 5 8 9 11 0 37.9000 2.5000 0.0000 8 HB2 H_ALI 0 1.0041 1.6375 -1.7196 -1.2891 7 0 0 0 9 2.6900 0.3200 0.0000 9 HB3 H_ALI 0 1.0041 1.6375 -0.1881 -2.1409 7 0 0 0 8 2.9500 0.2700 0.0000 10 QB PSEUD 0 0.0000 1.6375 -0.9538 -1.7150 0 0 0 0 0 2.9500 0.2700 1.0000 11 CG C_BYL 2 8.3721 3.5338 -0.6925 -1.2451 7 12 13 0 0 175.6000 3.0000 0.0000 12 OD1 O_BYL 2 -6.8307 4.1821 -1.1949 -2.1483 11 0 0 0 0 13 ND2 N_AMI 2 -8.1034 4.0726 -0.1015 -0.1825 11 14 15 0 0 115.0000 20.0000 0.0000 14 HD21 H_AMI 0 3.6487 3.4834 0.2913 0.5236 13 0 0 0 15 7.1800 0.5500 0.5000 15 HD22 H_AMI 0 3.6487 5.0670 -0.0498 -0.0896 13 0 0 0 14 7.7800 0.3200 0.5000 16 QD2 PSEUD 0 0.0000 4.2752 0.1208 0.2170 0 0 0 0 0 7.7800 0.3200 1.0000 17 C C_BYL 2 8.2024 1.9587 1.4440 0.0000 5 18 19 0 0 173.1000 3.0000 0.0000 18 O O_BYL 2 -7.0004 1.1648 2.3835 0.0000 17 0 0 0 0 19 N N_AMI 2 -6.4912 3.2772 1.5756 0.0000 17 0 0 0 0 115.0000 20.0000 0.0000 1 QB PSEUD 2 CHEM HB2 HB3 3 QD2 PSEUD 2 CHEM QD21 QD22 RESIDUE ASP 6 17 3 16 35 1 1 OMEGA -1 2 10.0000 2 1 3 4 0 2 PHI 0 0 0.0000 1 3 5 15 0 3 CHI1 1 3 1.3500 3 5 7 11 14 4 CHI2 0 0 0.0000 5 7 11 12 14 5 CHI32 -1 2 4.0000 7 11 13 14 14 6 PSI 0 0 0.0000 3 5 15 17 0 1 C C_BYL 2 8.2024 -0.6824 -1.1357 0.0000 2 3 0 0 0 2 O O_BYL 2 -7.0004 -0.1723 -2.2550 0.0000 1 0 0 0 0 3 N N_AMI 2 -6.4912 0.0000 0.0000 0.0000 1 4 5 0 0 115.0000 20.0000 0.0000 4 HN H_AMI 0 3.2103 -0.4226 0.9063 0.0000 3 0 0 0 0 8.3100 0.5100 0.0000 5 CA C_ALI 3 1.1597 1.4530 0.0000 0.0000 3 6 7 15 0 54.0000 2.5000 0.0000 6 HA H_ALI 0 0.3677 1.7394 -0.5422 0.9011 5 0 0 0 0 4.6500 0.2800 0.0000 7 CB C_ALI 3 -1.8243 2.0038 -0.6938 -1.2474 5 8 9 11 0 40.8000 2.5000 0.0000 8 HB2 H_ALI 0 1.1031 1.6190 -1.7132 -1.2776 7 0 0 0 9 2.6300 0.3100 0.0000 9 HB3 H_ALI 0 1.1031 1.6190 -0.1818 -2.1294 7 0 0 0 8 2.9300 0.3300 0.0000 10 QB PSEUD 0 0.0000 1.6190 -0.9475 -1.7035 0 0 0 0 0 2.9300 0.3300 1.0000 11 CG C_BYL 2 9.1075 3.5302 -0.7444 -1.3384 7 12 13 0 0 175.0000 3.0000 0.0000 12 OD1 O_BYL 2 -6.5620 4.0951 -1.2810 -2.3031 11 0 0 0 0 13 OD2 O_HYD 2 -6.3781 4.1537 -0.1955 -0.3514 11 14 0 0 0 14 HD2 H_OXY 0 4.0022 5.1416 -0.2707 -0.4866 13 0 0 0 0 15 C C_BYL 2 8.2024 1.9587 1.4440 0.0000 5 16 17 0 0 173.0000 3.0000 0.0000 16 O O_BYL 2 -7.0004 1.1648 2.3835 0.0000 15 0 0 0 0 17 N N_AMI 2 -6.4912 3.2772 1.5756 0.0000 15 0 0 0 0 115.0000 20.0000 0.0000 1 QB PSEUD 2 CHEM HB2 HB3 RESIDUE ASP- 5 16 3 15 35 1 1 OMEGA -1 2 10.0000 2 1 3 4 0 2 PHI 0 0 0.0000 1 3 5 14 0 3 CHI1 1 3 1.3500 3 5 7 11 13 4 CHI2 0 0 0.0000 5 7 11 12 13 5 PSI 0 0 0.0000 3 5 14 16 0 1 C C_BYL 2 8.2024 -0.6824 -1.1357 0.0000 2 3 0 0 0 2 O O_BYL 2 -7.0004 -0.1723 -2.2550 0.0000 1 0 0 0 0 3 N N_AMI 2 -6.4912 0.0000 0.0000 0.0000 1 4 5 0 0 115.0000 20.0000 0.0000 4 HN H_AMI 0 3.2103 -0.4226 0.9063 0.0000 3 0 0 0 0 8.3100 0.5100 0.0000 5 CA C_ALI 3 -1.0904 1.4530 0.0000 0.0000 3 6 7 14 0 54.0000 2.5000 0.0000 6 HA H_ALI 0 0.4384 1.7394 -0.5422 0.9011 5 0 0 0 0 4.6500 0.2800 0.0000 7 CB C_ALI 3 -3.0971 2.0038 -0.6938 -1.2474 5 8 9 11 0 40.8000 2.5000 0.0000 8 HB2 H_ALI 0 -0.3677 1.6190 -1.7132 -1.2776 7 0 0 0 9 2.6300 0.3100 0.0000 9 HB3 H_ALI 0 -0.3677 1.6190 -0.1818 -2.1294 7 0 0 0 8 2.9300 0.3300 0.0000 10 QB PSEUD 0 0.0000 1.6190 -0.9475 -1.7035 0 0 0 0 0 2.9300 0.3300 1.0000 11 CG C_BYL 2 9.1075 3.5302 -0.7444 -1.3384 7 12 13 0 0 178.5000 3.0000 0.0000 12 OD1 O_BYL 2 -10.3803 4.0206 -1.3033 -2.3432 11 0 0 0 0 13 OD2 O_BYL 2 -10.3803 4.1722 -0.2231 -0.4011 11 0 0 0 0 14 C C_BYL 2 8.2024 1.9587 1.4440 0.0000 5 15 16 0 0 174.2000 3.0000 0.0000 15 O O_BYL 2 -7.0004 1.1648 2.3835 0.0000 14 0 0 0 0 16 N N_AMI 2 -6.4912 3.2772 1.5756 0.0000 14 0 0 0 0 115.0000 20.0000 0.0000 1 QB PSEUD 2 CHEM HB2 HB3 RESIDUE CYS 5 15 3 14 -25 1 1 OMEGA -1 2 10.0000 2 1 3 4 0 2 PHI 0 0 0.0000 1 3 5 13 0 3 CHI1 1 3 1.3500 3 5 7 11 12 4 CHI2 1 3 0.7500 5 7 11 12 12 5 PSI 0 0 0.0000 3 5 13 15 0 1 C C_BYL 2 8.2024 -0.6824 -1.1357 0.0000 2 3 0 0 0 2 O O_BYL 2 -7.0004 -0.1723 -2.2550 0.0000 1 0 0 0 0 3 N N_AMI 2 -6.4912 0.0000 0.0000 0.0000 1 4 5 0 0 115.0000 20.0000 0.0000 4 HN H_AMI 0 3.2103 -0.4226 0.9063 0.0000 3 0 0 0 0 8.2500 0.7000 0.0000 5 CA C_ALI 3 1.1597 1.4530 0.0000 0.0000 3 6 7 13 0 56.9000 2.5000 0.0000 6 HA H_ALI 0 0.3677 1.7661 -0.5112 0.9103 5 0 0 0 0 4.6400 0.7500 0.0000 7 CB C_ALI 3 -1.9092 2.0187 -0.7882 -1.1831 5 8 9 11 0 39.0000 2.5000 0.0000 8 HB2 H_ALI 0 1.0041 1.6627 -1.8178 -1.1483 7 0 0 0 9 2.8600 0.3800 0.0000 9 HB3 H_ALI 0 1.0041 1.6627 -0.3594 -2.1199 7 0 0 0 8 3.1900 0.3800 0.0000 10 QB PSEUD 0 0.0000 1.6627 -1.0886 -1.6341 0 0 0 0 0 3.1900 0.3800 1.0000 11 SG S_RED 3 0.2687 3.8479 -0.7581 -1.1379 7 12 0 0 0 12 HG H_SUL 0 0.1838 4.0261 -1.4888 -2.2348 11 0 0 0 0 13 C C_BYL 2 8.2024 1.9334 1.4526 0.0000 5 14 15 0 0 173.9000 3.0000 0.0000 14 O O_BYL 2 -7.0004 1.1232 2.3781 0.0000 13 0 0 0 0 15 N N_AMI 2 -6.4912 3.2494 1.6072 0.0000 13 0 0 0 0 115.0000 20.0000 0.0000 1 QB PSEUD 2 CHEM HB2 HB3 RESIDUE CYSS 4 14 3 13 -25 1 1 OMEGA -1 2 10.0000 2 1 3 4 0 2 PHI 0 0 0.0000 1 3 5 12 0 3 CHI1 1 3 1.3500 3 5 7 11 11 4 PSI 0 0 0.0000 3 5 12 14 0 1 C C_BYL 2 8.2024 -0.6824 -1.1357 0.0000 2 3 0 0 0 2 O O_BYL 2 -7.0004 -0.1723 -2.2550 0.0000 1 0 0 0 0 3 N N_AMI 2 -6.4912 0.0000 0.0000 0.0000 1 4 5 0 0 115.0000 20.0000 0.0000 4 HN H_AMI 0 3.2103 -0.4226 0.9063 0.0000 3 0 0 0 0 8.2500 0.7000 0.0000 5 CA C_ALI 3 1.1597 1.4530 0.0000 0.0000 3 6 7 12 0 56.9000 2.5000 0.0000 6 HA H_ALI 0 0.3677 1.7661 -0.5112 0.9103 5 0 0 0 0 4.6400 0.7500 0.0000 7 CB C_ALI 3 -1.6405 2.0187 -0.7882 -1.1831 5 8 9 11 0 39.0000 2.5000 0.0000 8 HB2 H_ALI 0 1.0041 1.6404 -1.8093 -1.1355 7 0 0 0 9 2.8600 0.3800 0.0000 9 HB3 H_ALI 0 1.0041 1.6404 -0.3509 -2.1071 7 0 0 0 8 3.1900 0.3800 0.0000 10 QB PSEUD 0 0.0000 1.6404 -1.0801 -1.6213 0 0 0 0 0 3.1900 0.3800 1.0000 11 SG S_OXY 3 0.1838 3.8460 -0.8430 -1.2654 7 0 0 0 0 12 C C_BYL 2 8.2024 1.9334 1.4526 0.0000 5 13 14 0 0 173.9000 3.0000 0.0000 13 O O_BYL 2 -7.0004 1.1232 2.3781 0.0000 12 0 0 0 0 14 N N_AMI 2 -6.4912 3.2494 1.6072 0.0000 12 0 0 0 0 115.0000 20.0000 0.0000 1 QB PSEUD 2 CHEM HB2 HB3 RESIDUE GLN 6 23 3 22 35 3 1 OMEGA -1 2 10.0000 2 1 3 4 0 2 PHI 0 0 0.0000 1 3 5 21 0 3 CHI1 1 3 1.3500 3 5 7 11 20 4 CHI2 1 3 1.3500 5 7 11 15 20 5 CHI3 0 0 0.0000 7 11 15 16 20 6 PSI 0 0 0.0000 3 5 21 23 0 1 C C_BYL 2 8.2024 -0.6824 -1.1357 0.0000 2 3 0 0 0 2 O O_BYL 2 -7.0004 -0.1723 -2.2550 0.0000 1 0 0 0 0 3 N N_AMI 2 -6.4912 0.0000 0.0000 0.0000 1 4 5 0 0 115.0000 20.0000 0.0000 4 HN H_AMI 0 3.2103 -0.4226 0.9063 0.0000 3 0 0 0 0 8.2800 0.6100 0.0000 5 CA C_ALI 3 1.1597 1.4530 0.0000 0.0000 3 6 7 21 0 56.1000 2.5000 0.0000 6 HA H_ALI 0 0.3677 1.7427 -0.5017 0.9233 5 0 0 0 0 4.4300 0.4500 0.0000 7 CB C_ALI 3 -0.5374 2.0013 -0.7874 -1.1917 5 8 9 11 0 28.4000 2.5000 0.0000 8 HB2 H_ALI 0 0.3677 1.6341 -1.8130 -1.1545 7 0 0 0 9 1.9200 0.2700 0.0000 9 HB3 H_ALI 0 0.3677 1.6341 -0.3510 -2.1206 7 0 0 0 8 2.1000 0.2000 0.0000 10 QB PSEUD 0 0.0000 1.6341 -1.0820 -1.6375 0 0 0 0 0 11 CG C_ALI 3 -2.0082 3.5313 -0.7874 -1.1917 7 12 13 15 0 32.2000 3.0000 0.0000 12 HG2 H_ALI 0 0.9051 3.8985 0.2382 -1.2290 11 0 0 0 13 2.2900 0.2500 0.0000 13 HG3 H_ALI 0 0.9051 3.8985 -1.2239 -0.2629 11 0 0 0 12 2.3500 0.2000 0.0000 14 QG PSEUD 0 0.0000 3.8985 -0.4928 -0.7459 0 0 0 0 0 15 CD C_BYL 2 8.5701 4.0796 -1.5749 -2.3835 11 16 17 0 0 179.0000 3.0000 0.0000 16 OE1 O_BYL 2 -6.9155 5.2772 -1.7032 -2.5777 15 0 0 0 0 17 NE2 N_AMI 2 -7.8347 3.1391 -2.0933 -3.1681 15 18 19 0 0 115.0000 20.0000 0.0000 18 HE21 H_AMI 0 3.3658 2.1732 -1.9506 -2.9521 17 0 0 0 19 6.8500 0.3800 0.5000 19 HE22 H_AMI 0 3.3658 3.3980 -2.6258 -3.9740 17 0 0 0 18 7.6100 0.2900 0.5000 20 QE2 PSEUD 0 0.0000 2.7856 -2.2882 -3.4631 0 0 0 0 0 21 C C_BYL 2 8.2024 1.9838 1.4350 0.0000 5 22 23 0 0 174.0000 3.0000 0.0000 22 O O_BYL 2 -7.0004 1.2064 2.3882 0.0000 21 0 0 0 0 23 N N_AMI 2 -6.4912 3.3043 1.5436 0.0000 21 0 0 0 0 115.0000 20.0000 0.0000 1 QB PSEUD 2 CHEM HB2 HB3 2 QG PSEUD 2 CHEM HG2 HG3 2 QE2 PSEUD 2 CHEM HE22 HE21 RESIDUE GLU 7 21 3 20 35 2 1 OMEGA -1 2 10.0000 2 1 3 4 0 2 PHI 0 0 0.0000 1 3 5 19 0 3 CHI1 1 3 1.3500 3 5 7 11 18 4 CHI2 1 3 1.3500 5 7 11 15 18 5 CHI3 0 0 0.0000 7 11 15 16 18 6 CHI42 -1 2 4.0000 11 15 17 18 18 7 PSI 0 0 0.0000 3 5 19 21 0 1 C C_BYL 2 8.2024 -0.6824 -1.1357 0.0000 2 3 0 0 0 2 O O_BYL 2 -7.0004 -0.1723 -2.2550 0.0000 1 0 0 0 0 3 N N_AMI 2 -6.4912 0.0000 0.0000 0.0000 1 4 5 0 0 115.0000 20.0000 0.0000 4 HN H_AMI 0 3.2103 -0.4226 0.9063 0.0000 3 0 0 0 0 8.2200 0.6000 0.0000 5 CA C_ALI 3 1.1597 1.4530 0.0000 0.0000 3 6 7 19 0 56.4000 2.5000 0.0000 6 HA H_ALI 0 0.3677 1.7427 -0.5017 0.9233 5 0 0 0 0 4.3400 0.4200 0.0000 7 CB C_ALI 3 -0.5515 2.0013 -0.7874 -1.1917 5 8 9 11 0 29.7000 2.5000 0.0000 8 HB2 H_ALI 0 0.5515 1.6341 -1.8130 -1.1545 7 0 0 0 9 1.9700 0.2000 0.0000 9 HB3 H_ALI 0 0.5515 1.6341 -0.3510 -2.1206 7 0 0 0 8 2.0400 0.1800 0.0000 10 QB PSEUD 0 0.0000 1.6341 -1.0820 -1.6375 0 0 0 0 0 11 CG C_ALI 3 -2.0082 3.5313 -0.7874 -1.1917 7 12 13 15 0 31.2000 3.0000 0.0000 12 HG2 H_ALI 0 1.0041 3.8985 0.2382 -1.2290 11 0 0 0 13 2.2700 0.2000 0.0000 13 HG3 H_ALI 0 1.0041 3.8985 -1.2239 -0.2629 11 0 0 0 12 2.3400 0.2100 0.0000 14 QG PSEUD 0 0.0000 3.8985 -0.4928 -0.7459 0 0 0 0 0 15 CD C_BYL 2 9.1075 4.0796 -1.5749 -2.3835 11 16 17 0 0 178.2000 3.0000 0.0000 16 OE1 O_BYL 2 -6.5620 5.3043 -1.6818 -2.5453 15 0 0 0 0 17 OE2 O_HYD 2 -6.3781 3.1835 -2.0873 -3.1571 15 18 0 0 0 18 HE2 H_OXY 0 3.8325 3.6219 -2.5827 -3.9070 17 0 0 0 0 19 C C_BYL 2 8.2024 1.9838 1.4350 0.0000 5 20 21 0 0 174.0000 3.0000 0.0000 20 O O_BYL 2 -7.0004 1.2064 2.3882 0.0000 19 0 0 0 0 21 N N_AMI 2 -6.4912 3.3043 1.5436 0.0000 19 0 0 0 0 115.0000 20.0000 0.0000 1 QB PSEUD 2 CHEM HB2 HB3 2 QG PSEUD 2 CHEM HG2 HG3 RESIDUE GLU- 6 20 3 19 35 2 1 OMEGA -1 2 10.0000 2 1 3 4 0 2 PHI 0 0 0.0000 1 3 5 18 0 3 CHI1 1 3 1.3500 3 5 7 11 17 4 CHI2 1 3 1.3500 5 7 11 15 17 5 CHI3 0 0 0.0000 7 11 15 16 17 6 PSI 0 0 0.0000 3 5 18 20 0 1 C C_BYL 2 8.2024 -0.6824 -1.1357 0.0000 2 3 0 0 0 2 O O_BYL 2 -7.0004 -0.1723 -2.2550 0.0000 1 0 0 0 0 3 N N_AMI 2 -6.4912 0.0000 0.0000 0.0000 1 4 5 0 0 115.0000 20.0000 0.0000 4 HN H_AMI 0 3.2103 -0.4226 0.9063 0.0000 3 0 0 0 0 8.2200 0.6000 0.0000 5 CA C_ALI 3 1.1597 1.4530 0.0000 0.0000 3 6 7 18 0 56.4000 2.5000 0.0000 6 HA H_ALI 0 0.3677 1.7427 -0.5017 0.9233 5 0 0 0 0 4.3400 0.4200 0.0000 7 CB C_ALI 3 -2.1779 2.0013 -0.7874 -1.1917 5 8 9 11 0 29.7000 2.5000 0.0000 8 HB2 H_ALI 0 0.3677 1.6341 -1.8130 -1.1545 7 0 0 0 9 1.9700 0.2000 0.0000 9 HB3 H_ALI 0 0.3677 1.6341 -0.3510 -2.1206 7 0 0 0 8 2.0400 0.1800 0.0000 10 QB PSEUD 0 0.0000 1.6341 -1.0820 -1.6375 0 0 0 0 0 11 CG C_ALI 3 -3.0971 3.5313 -0.7874 -1.1917 7 12 13 15 0 34.9000 3.0000 0.0000 12 HG2 H_ALI 0 -0.7354 3.8985 0.2382 -1.2290 11 0 0 0 13 2.2700 0.2000 0.0000 13 HG3 H_ALI 0 -0.7354 3.8985 -1.2239 -0.2629 11 0 0 0 12 2.3400 0.2100 0.0000 14 QG PSEUD 0 0.0000 3.8985 -0.4928 -0.7459 0 0 0 0 0 15 CD C_BYL 2 9.1075 4.0796 -1.5749 -2.3835 11 16 17 0 0 182.8000 3.0000 0.0000 16 OE1 O_BYL 2 -10.3803 5.3227 -1.6469 -2.4925 15 0 0 0 0 17 OE2 O_BYL 2 -10.3803 3.2432 -2.0870 -3.1585 15 0 0 0 0 18 C C_BYL 2 8.2024 1.9838 1.4350 0.0000 5 19 20 0 0 173.4000 3.0000 0.0000 19 O O_BYL 2 -7.0004 1.2064 2.3882 0.0000 18 0 0 0 0 20 N N_AMI 2 -6.4912 3.3043 1.5436 0.0000 18 0 0 0 0 115.0000 20.0000 0.0000 1 QB PSEUD 2 CHEM HB2 HB3 2 QG PSEUD 2 CHEM HG2 HG3 RESIDUE GLY 3 11 3 10 4 1 1 OMEGA -1 2 10.0000 2 1 3 4 0 2 PHI 0 0 0.0000 1 3 5 9 0 3 PSI 0 0 0.0000 3 5 9 11 0 1 C C_BYL 2 8.2024 -0.6824 -1.1357 0.0000 2 3 0 0 0 2 O O_BYL 2 -7.0004 -0.1723 -2.2550 0.0000 1 0 0 0 0 3 N N_AMI 2 -6.2650 0.0000 0.0000 0.0000 1 4 5 0 0 110.0000 10.0000 0.0000 4 HN H_AMI 0 3.2103 -0.4226 0.9063 0.0000 3 0 0 0 0 8.3100 0.6200 0.0000 5 CA C_ALI 3 -0.1556 1.4530 0.0000 0.0000 3 6 7 9 0 45.1000 2.0000 0.0000 6 HA1 H_ALI 0 1.0041 1.8202 -0.5343 0.8762 5 0 0 0 7 3.7400 0.3300 0.0000 7 HA2 H_ALI 0 1.0041 1.8202 -0.5343 -0.8762 5 0 0 0 6 4.1700 0.2800 0.0000 8 QA PSEUD 0 0.0000 1.8202 -0.5343 0.0000 0 0 0 0 0 9 C C_BYL 2 8.2024 2.0013 1.4284 0.0000 5 10 11 0 0 171.8000 3.0000 0.0000 10 O O_BYL 2 -7.0004 1.2356 2.3910 0.0000 9 0 0 0 0 11 N N_AMI 2 -6.4912 3.3231 1.5208 0.0000 9 0 0 0 0 110.0000 10.0000 0.0000 1 QA PSEUD 2 CHEM HA1 HA2 RESIDUE HIS 5 21 3 20 32 1 1 OMEGA -1 2 10.0000 2 1 3 4 0 2 PHI 0 0 0.0000 1 3 5 19 0 3 CHI1 1 3 1.3500 3 5 7 11 18 4 CHI2 0 0 0.0000 5 7 11 12 18 5 PSI 0 0 0.0000 3 5 19 21 0 1 C C_BYL 2 8.2024 -0.6824 -1.1357 0.0000 2 3 0 0 0 2 O O_BYL 2 -7.0004 -0.1723 -2.2550 0.0000 1 0 0 0 0 3 N N_AMI 2 -6.4912 0.0000 0.0000 0.0000 1 4 5 0 0 115.0000 20.0000 0.0000 4 HN H_AMI 0 3.2103 -0.4226 0.9063 0.0000 3 0 0 0 0 8.2800 0.5700 0.0000 5 CA C_ALI 3 1.1597 1.4530 0.0000 0.0000 3 6 7 19 0 54.3000 2.5000 0.0000 6 HA H_ALI 0 0.3677 1.7658 -0.4880 0.9231 5 0 0 0 0 4.5400 0.1900 0.0000 7 CB C_ALI 3 -0.7212 1.9963 -0.8228 -1.1699 5 8 9 11 0 30.7000 2.5000 0.0000 8 HB2 H_ALI 0 0.2687 1.6134 -1.8405 -1.0938 7 0 0 0 9 2.9400 0.3900 0.0000 9 HB3 H_ALI 0 0.2687 1.6134 -0.4071 -2.1019 7 0 0 0 8 3.2600 0.2900 0.0000 10 QB PSEUD 0 0.0000 1.6134 -1.1238 -1.5979 0 0 0 0 0 11 CG C_VIN 2 1.0041 3.5040 -0.8713 -1.2388 7 12 13 0 0 133.7000 3.0000 0.0000 12 ND1 N_AMI 2 -4.5538 4.1876 -1.5636 -2.2231 11 14 15 0 0 115.0000 20.0000 0.0000 13 CD2 C_ARO 2 1.4566 4.4515 -0.3061 -0.4368 11 16 17 0 0 119.6000 3.0000 0.0000 14 HD1 H_AMI 0 2.7294 3.7713 -2.0867 -2.9668 12 0 0 0 0 15 CE1 C_ARO 2 3.4648 5.4873 -1.4156 -2.0126 12 16 18 0 0 137.8000 3.0000 0.0000 16 NE2 N_AMI 2 -4.3699 5.6488 -0.6364 -0.9048 13 15 0 0 0 115.0000 20.0000 0.0000 17 HD2 H_ARO 0 0.6364 4.2578 0.3120 0.4399 13 0 0 0 0 6.9900 0.3300 0.0000 18 HE1 H_ARO 0 0.3677 6.2871 -1.8416 -2.6184 15 0 0 0 0 8.1000 0.3600 0.0000 19 C C_BYL 2 8.2024 1.9662 1.4413 0.0000 5 20 21 0 0 172.7000 3.0000 0.0000 20 O O_BYL 2 -7.0004 1.1773 2.3850 0.0000 19 0 0 0 0 21 N N_AMI 2 -6.4912 3.2853 1.5659 0.0000 19 0 0 0 0 115.0000 20.0000 0.0000 1 QB PSEUD 2 CHEM HB2 HB3 RESIDUE HIST 5 21 3 20 32 1 1 OMEGA -1 2 10.0000 2 1 3 4 0 2 PHI 0 0 0.0000 1 3 5 19 0 3 CHI1 1 3 1.3500 3 5 7 11 18 4 CHI2 0 0 0.0000 5 7 11 12 18 5 PSI 0 0 0.0000 3 5 19 21 0 1 C C_BYL 2 8.2024 -0.6824 -1.1357 0.0000 2 3 0 0 0 2 O O_BYL 2 -7.0004 -0.1723 -2.2550 0.0000 1 0 0 0 0 3 N N_AMI 2 -6.4912 0.0000 0.0000 0.0000 1 4 5 0 0 115.0000 20.0000 0.0000 4 HN H_AMI 0 3.2103 -0.4226 0.9063 0.0000 3 0 0 0 0 8.2800 0.5700 0.0000 5 CA C_ALI 3 1.1597 1.4530 0.0000 0.0000 3 6 7 19 0 54.9000 2.5000 0.0000 6 HA H_ALI 0 0.3677 1.7658 -0.4880 0.9231 5 0 0 0 0 4.5400 0.1900 0.0000 7 CB C_ALI 3 -1.3718 1.9963 -0.8228 -1.1699 5 8 9 11 0 29.9000 2.5000 0.0000 8 HB2 H_ALI 0 0.7495 1.6134 -1.8405 -1.0938 7 0 0 0 9 2.9400 0.3900 0.0000 9 HB3 H_ALI 0 0.7495 1.6134 -0.4071 -2.1019 7 0 0 0 8 3.2600 0.2900 0.0000 10 QB PSEUD 0 0.0000 1.6134 -1.1238 -1.5979 0 0 0 0 0 11 CG C_VIN 2 1.8243 3.5040 -0.8713 -1.2388 7 12 13 0 0 133.7000 3.0000 0.0000 12 ND1 N_AMI 2 -4.2002 4.1876 -1.5636 -2.2231 11 16 0 0 0 115.0000 20.0000 0.0000 13 CD2 C_ARO 2 0.9758 4.4515 -0.3061 -0.4368 11 14 15 0 0 119.6000 3.0000 0.0000 14 HD2 H_ARO 0 0.3253 4.2578 0.3120 0.4399 13 0 0 0 0 6.9900 0.3300 0.0000 15 NE2 N_AMI 2 -4.6386 5.6488 -0.6364 -0.9048 13 16 18 0 0 115.0000 20.0000 0.0000 16 CE1 C_ARO 2 3.3234 5.4873 -1.4156 -2.0126 12 15 17 0 0 137.8000 3.0000 0.0000 17 HE1 H_ARO 0 0.1980 6.2871 -1.8416 -2.6184 16 0 0 0 0 8.1000 0.3600 0.0000 18 HE2 H_AMI 0 2.6163 6.5236 -0.3132 -0.5438 15 0 0 0 0 19 C C_BYL 2 8.2024 1.9662 1.4413 0.0000 5 20 21 0 0 172.7000 3.0000 0.0000 20 O O_BYL 2 -7.0004 1.1773 2.3850 0.0000 19 0 0 0 0 21 N N_AMI 2 -6.4912 3.2853 1.5659 0.0000 19 0 0 0 0 115.0000 20.0000 0.0000 1 QB PSEUD 2 CHEM HB2 HB3 RESIDUE HIS+ 5 22 3 21 32 1 1 OMEGA -1 2 10.0000 2 1 3 4 0 2 PHI 0 0 0.0000 1 3 5 20 0 3 CHI1 1 3 1.3500 3 5 7 11 19 4 CHI2 0 0 0.0000 5 7 11 12 19 5 PSI 0 0 0.0000 3 5 20 22 0 1 C C_BYL 2 8.2024 -0.6824 -1.1357 0.0000 2 3 0 0 0 2 O O_BYL 2 -7.0004 -0.1723 -2.2550 0.0000 1 0 0 0 0 3 N N_AMI 2 -6.4912 0.0000 0.0000 0.0000 1 4 5 0 0 115.0000 20.0000 0.0000 4 HN H_AMI 0 3.2103 -0.4226 0.9063 0.0000 3 0 0 0 0 8.2800 0.5700 0.0000 5 CA C_ALI 3 1.1597 1.4530 0.0000 0.0000 3 6 7 20 0 53.6000 2.5000 0.0000 6 HA H_ALI 0 0.3677 1.7658 -0.4880 0.9231 5 0 0 0 0 4.5400 0.1900 0.0000 7 CB C_ALI 3 -0.9051 1.9963 -0.8228 -1.1699 5 8 9 11 0 28.1000 2.5000 0.0000 8 HB2 H_ALI 0 1.1879 1.6134 -1.8405 -1.0938 7 0 0 0 9 2.9400 0.3900 0.0000 9 HB3 H_ALI 0 1.1879 1.6134 -0.4071 -2.1019 7 0 0 0 8 3.2600 0.2900 0.0000 10 QB PSEUD 0 0.0000 1.6134 -1.1238 -1.5979 0 0 0 0 0 11 CG C_VIN 2 2.7294 3.5040 -0.8713 -1.2388 7 12 13 0 0 129.5000 3.0000 0.0000 12 ND1 N_AMO 2 -3.6487 4.1876 -1.5636 -2.2231 11 14 15 0 0 13 CD2 C_ARO 2 1.8243 4.4515 -0.3061 -0.4368 11 16 17 0 0 119.0000 3.0000 0.0000 14 HD1 H_AMI 0 5.0063 3.7713 -2.0867 -2.9668 12 0 0 0 0 6.9900 0.3300 0.9900 15 CE1 C_ARO 2 5.0063 5.4873 -1.4156 -2.0126 12 16 18 0 0 135.2000 3.0000 0.0000 16 NE2 N_AMO 2 -3.6487 5.6488 -0.6364 -0.9048 13 15 19 0 0 17 HD2 H_ARO 0 2.4607 4.2578 0.3120 0.4399 13 0 0 0 0 6.9900 0.3300 0.0000 18 HE1 H_ARO 0 2.7294 6.2871 -1.8416 -2.6184 15 0 0 0 0 8.1000 0.3600 0.0000 19 HE2 H_AMI 0 4.8366 6.5236 -0.3132 -0.5438 16 0 0 0 0 20 C C_BYL 2 8.2024 1.9662 1.4413 0.0000 5 21 22 0 0 172.2000 3.0000 0.0000 21 O O_BYL 2 -7.0004 1.1773 2.3850 0.0000 20 0 0 0 0 22 N N_AMI 2 -6.4912 3.2853 1.5659 0.0000 20 0 0 0 0 115.0000 20.0000 0.0000 1 QB PSEUD 2 CHEM HB2 HB3 RESIDUE ILE 7 25 3 24 -45 3 1 OMEGA -1 2 10.0000 2 1 3 4 0 2 PHI 0 0 0.0000 1 3 5 23 0 3 CHI1 1 3 1.3500 3 5 7 14 22 4 CHI22 1 3 1.3500 5 7 10 11 13 5 CHI21 1 3 1.3500 5 7 14 19 22 6 CHI31 1 3 1.3500 7 14 19 20 22 7 PSI 0 0 0.0000 3 5 23 25 0 1 C C_BYL 2 8.2024 -0.6824 -1.1357 0.0000 2 3 0 0 0 2 O O_BYL 2 -7.0004 -0.1723 -2.2550 0.0000 1 0 0 0 0 3 N N_AMI 2 -6.4912 0.0000 0.0000 0.0000 1 4 5 0 0 115.0000 20.0000 0.0000 4 HN H_AMI 0 3.2103 -0.4226 0.9063 0.0000 3 0 0 0 0 8.2600 0.7200 0.0000 5 CA C_ALI 3 1.1597 1.4530 0.0000 0.0000 3 6 7 23 0 61.3000 2.5000 0.0000 6 HA H_ALI 0 0.3677 1.7797 -0.4805 0.9222 5 0 0 0 0 4.1300 0.5200 0.0000 7 CB C_ALI 3 -0.0849 1.9888 -0.8392 -1.1617 5 8 10 14 0 38.0000 2.5000 0.0000 8 HB H_ALI 0 0.4525 1.6625 -1.8692 -1.0179 7 0 0 0 0 1.7400 0.3700 0.0000 9 QG2 PSEUD 0 0.0000 1.2708 -0.2506 -2.8117 0 0 0 0 0 0.7800 0.2400 0.0000 10 CG2 C_ALI 3 -1.3576 1.4086 -0.3635 -2.4951 7 11 12 13 0 15.8000 3.0000 0.0000 11 HG21 H_ALI 0 0.4525 1.8059 -0.9770 -3.3037 10 0 0 0 0 0.7800 0.2400 0.0000 12 HG22 H_ALI 0 0.4525 0.3225 -0.4528 -2.4713 10 0 0 0 0 0.7800 0.2400 0.0000 13 HG23 H_ALI 0 0.4525 1.6840 0.6781 -2.6602 10 0 0 0 0 0.7800 0.2400 0.0000 14 CG1 C_ALI 3 -0.3536 3.5188 -0.8471 -1.1725 7 15 16 19 0 25.5000 3.0000 0.0000 15 HG12 H_ALI 0 0.2687 3.8906 0.1742 -1.2551 14 0 0 0 16 1.0100 0.2600 0.0000 16 HG13 H_ALI 0 0.2687 3.8906 -1.2463 -0.2289 14 0 0 0 15 1.3000 0.3200 0.0000 17 QG1 PSEUD 0 0.0000 3.8906 -0.5361 -0.7420 0 0 0 0 0 18 QD1 PSEUD 0 0.0000 4.1818 -1.8856 -2.6101 0 0 0 0 0 0.6900 0.2500 0.0000 19 CD1 C_ALI 3 -1.3576 4.0546 -1.6863 -2.3342 14 20 21 22 0 11.1000 3.0000 0.0000 20 HD11 H_ALI 0 0.4525 5.1444 -1.6749 -2.3183 19 0 0 0 0 0.6900 0.2500 0.0000 21 HD12 H_ALI 0 0.4525 3.7005 -2.7124 -2.2348 19 0 0 0 0 0.6900 0.2500 0.0000 22 HD13 H_ALI 0 0.4525 3.7005 -1.2695 -3.2771 19 0 0 0 0 0.6900 0.2500 0.0000 23 C C_BYL 2 8.2024 1.9587 1.4440 0.0000 5 24 25 0 0 174.2000 3.0000 0.0000 24 O O_BYL 2 -7.0004 1.1648 2.3835 0.0000 23 0 0 0 0 25 N N_AMI 2 -6.4912 3.2772 1.5756 0.0000 23 0 0 0 0 115.0000 20.0000 0.0000 1 QG1 PSEUD 2 CHEM HG12 HG13 2 QG2 PSEUD 3 MAGN HG21 HG22 HG23 3 QD1 PSEUD 3 MAGN HD11 HD12 HD13 RESIDUE LEU 7 26 3 25 -38 4 1 OMEGA -1 2 10.0000 2 1 3 4 0 2 PHI 0 0 0.0000 1 3 5 24 0 3 CHI1 1 3 1.3500 3 5 7 11 23 4 CHI2 1 3 1.3500 5 7 11 15 23 5 CHI31 1 3 1.3500 7 11 15 16 18 6 CHI32 1 3 1.3500 7 11 19 20 22 7 PSI 0 0 0.0000 3 5 24 26 0 1 C C_BYL 2 8.2024 -0.6824 -1.1357 0.0000 2 3 0 0 0 2 O O_BYL 2 -7.0004 -0.1723 -2.2550 0.0000 1 0 0 0 0 3 N N_AMI 2 -6.4912 0.0000 0.0000 0.0000 1 4 5 0 0 115.0000 20.0000 0.0000 4 HN H_AMI 0 3.2103 -0.4226 0.9063 0.0000 3 0 0 0 0 8.1900 0.6000 0.0000 5 CA C_ALI 3 1.1597 1.4530 0.0000 0.0000 3 6 7 24 0 55.1000 2.5000 0.0000 6 HA H_ALI 0 0.3677 1.7797 -0.4805 0.9222 5 0 0 0 0 4.2500 0.4900 0.0000 7 CB C_ALI 3 -0.5374 1.9888 -0.8392 -1.1617 5 8 9 11 0 42.3000 2.5000 0.0000 8 HB2 H_ALI 0 0.3960 1.5941 -1.8507 -1.0656 7 0 0 0 9 1.6000 0.3700 0.0000 9 HB3 H_ALI 0 0.3960 1.5941 -0.4301 -2.0917 7 0 0 0 8 1.7100 0.3100 0.0000 10 QB PSEUD 0 0.0000 1.5941 -1.1404 -1.5787 0 0 0 0 0 11 CG C_ALI 3 -0.1838 3.5118 -0.9251 -1.2806 7 12 15 19 0 25.7000 3.0000 0.0000 12 HG H_ALI 0 0.4525 3.8975 -1.4120 -0.3849 11 0 0 0 0 1.5100 0.3000 0.0000 13 QD1 PSEUD 0 0.0000 4.0177 -1.9934 -2.7595 0 0 0 0 14 0.6800 0.4000 0.0000 14 QD2 PSEUD 0 0.0000 4.2850 0.8015 -1.3553 0 0 0 0 13 0.8300 0.2500 0.0000 15 CD1 C_ALI 3 -1.3435 3.9206 -1.7884 -2.4757 11 16 17 18 0 23.6000 3.0000 0.0000 16 HD11 H_ALI 0 0.4525 5.0080 -1.8326 -2.5369 15 0 0 0 0 0.6800 0.4000 0.0000 17 HD12 H_ALI 0 0.4525 3.5225 -2.7953 -2.3497 15 0 0 0 0 0.6800 0.4000 0.0000 18 HD13 H_ALI 0 0.4525 3.5225 -1.3524 -3.3920 15 0 0 0 0 0.6800 0.4000 0.0000 19 CD2 C_ALI 3 -1.3435 4.1366 0.4702 -1.3410 11 20 21 22 0 22.1000 3.0000 0.0000 20 HD21 H_ALI 0 0.4525 5.2196 0.3800 -1.4253 19 0 0 0 0 0.8300 0.2500 0.0000 21 HD22 H_ALI 0 0.4525 3.7480 1.0051 -2.2076 19 0 0 0 0 0.8300 0.2500 0.0000 22 HD23 H_ALI 0 0.4525 3.8873 1.0195 -0.4331 19 0 0 0 0 0.8300 0.2500 0.0000 23 QQD PSEUD 0 0.0000 4.1513 -0.5960 -2.0574 0 0 0 0 0 24 C C_BYL 2 8.2024 1.9587 1.4440 0.0000 5 25 26 0 0 174.7000 0.0000 0.0000 25 O O_BYL 2 -7.0004 1.1648 2.3835 0.0000 24 0 0 0 0 26 N N_AMI 2 -6.4912 3.2772 1.5756 0.0000 24 0 0 0 0 115.0000 20.0000 0.0000 1 QB PSEUD 2 CHEM HB2 HB3 2 QD1 PSEUD 3 MAGN HD11 HD12 HD13 3 QD2 PSEUD 3 MAGN HD21 HD22 HD23 4 QQD PSEUD 2 CHEM QD1 QD2 RESIDUE LYS 8 29 3 28 39 5 1 OMEGA -1 2 10.0000 2 1 3 4 0 2 PHI 0 0 0.0000 1 3 5 27 0 3 CHI1 1 3 1.3500 3 5 7 11 26 4 CHI2 1 3 1.3500 5 7 11 15 26 5 CHI3 1 3 1.3500 7 11 15 19 26 6 CHI4 1 3 1.3500 11 15 19 23 26 7 CHI5 1 3 0.9000 15 19 23 24 26 8 PSI 0 0 0.0000 3 5 27 29 0 1 C C_BYL 2 8.2024 -0.6824 -1.1357 0.0000 2 3 0 0 0 2 O O_BYL 2 -7.0004 -0.1723 -2.2550 0.0000 1 0 0 0 0 3 N N_AMI 2 -6.4912 0.0000 0.0000 0.0000 1 4 5 0 0 115.0000 20.0000 0.0000 4 HN H_AMI 0 3.2103 -0.4226 0.9063 0.0000 3 0 0 0 0 8.2800 0.6500 0.0000 5 CA C_ALI 3 1.1597 1.4530 0.0000 0.0000 3 6 7 27 0 56.5000 2.5000 0.0000 6 HA H_ALI 0 0.3677 1.7797 -0.4805 0.9222 5 0 0 0 0 4.2300 0.4200 0.0000 7 CB C_ALI 3 -0.5515 1.9888 -0.8392 -1.1617 5 8 9 11 0 32.5000 2.5000 0.0000 8 HB2 H_ALI 0 0.2687 1.6169 -1.8605 -1.0798 7 0 0 0 9 1.7400 0.3800 0.0000 9 HB3 H_ALI 0 0.2687 1.6169 -0.4400 -2.1053 7 0 0 0 8 1.8400 0.3400 0.0000 10 QB PSEUD 0 0.0000 1.6169 -1.1502 -1.5926 0 0 0 0 0 11 CG C_ALI 3 -0.4525 3.5188 -0.8471 -1.1725 7 12 13 15 0 23.7000 3.0000 0.0000 12 HG2 H_ALI 0 0.3677 3.8906 0.1742 -1.2551 11 0 0 0 13 1.3000 0.3900 0.0000 13 HG3 H_ALI 0 0.3677 3.8906 -1.2463 -0.2289 11 0 0 0 12 1.3600 0.3700 0.0000 14 QG PSEUD 0 0.0000 3.8906 -0.5361 -0.7420 0 0 0 0 0 15 CD C_ALI 3 -0.5515 4.0546 -1.6863 -2.3342 11 16 17 19 0 32.2000 3.0000 0.0000 16 HD2 H_ALI 0 0.3677 3.6827 -2.7076 -2.2516 15 0 0 0 17 1.5400 0.2400 0.0000 17 HD3 H_ALI 0 0.3677 3.6827 -1.2871 -3.2778 15 0 0 0 16 1.5700 0.2300 0.0000 18 QD PSEUD 0 0.0000 3.6827 -1.9974 -2.7647 0 0 0 0 0 19 CE C_ALI 3 2.0082 5.5845 -1.6941 -2.3450 15 20 21 23 0 41.7000 3.0000 0.0000 20 HE2 H_ALI 0 -0.0849 5.9587 -0.6738 -2.4289 19 0 0 0 21 2.9100 0.1300 0.0000 21 HE3 H_ALI 0 -0.0849 5.9587 -2.0943 -1.4027 19 0 0 0 20 2.9700 0.1000 0.0000 22 QE PSEUD 0 0.0000 5.9587 -1.3841 -1.9158 0 0 0 0 0 23 NZ N_AMI 3 -7.1983 6.0907 -2.5086 -3.4723 19 24 25 0 0 115.0000 20.0000 0.0000 24 HZ1 H_AMI 0 2.7294 7.1041 -2.5293 -3.5010 23 0 0 0 25 7.5300 0.0500 0.8000 25 HZ2 H_AMI 0 2.7294 5.7789 -3.4718 -3.4151 23 0 0 0 24 7.5300 0.0500 0.8000 26 QZ PSEUD 0 0.0000 6.4415 -3.0006 -3.4581 0 0 0 0 0 27 C C_BYL 2 8.2024 1.9587 1.4440 0.0000 5 28 29 0 0 174.9000 3.0000 0.0000 28 O O_BYL 2 -7.0004 1.1648 2.3835 0.0000 27 0 0 0 0 29 N N_AMI 2 -6.4912 3.2772 1.5756 0.0000 27 0 0 0 0 115.0000 20.0000 0.0000 1 QB PSEUD 2 CHEM HB2 HB3 2 QG PSEUD 2 CHEM HG2 HG3 3 QD PSEUD 2 CHEM HD2 HD3 4 QE PSEUD 2 CHEM HE2 HE3 5 QZ PSEUD 2 CHEM HZ1 HZ2 RESIDUE LYS+ 8 30 3 29 39 5 1 OMEGA -1 2 10.0000 2 1 3 4 0 2 PHI 0 0 0.0000 1 3 5 28 0 3 CHI1 1 3 1.3500 3 5 7 11 27 4 CHI2 1 3 1.3500 5 7 11 15 27 5 CHI3 1 3 1.3500 7 11 15 19 27 6 CHI4 1 3 1.3500 11 15 19 23 27 7 CHI5 1 3 0.9000 15 19 23 24 27 8 PSI 0 0 0.0000 3 5 28 30 0 1 C C_BYL 2 8.2024 -0.6824 -1.1357 0.0000 2 3 0 0 0 2 O O_BYL 2 -7.0004 -0.1723 -2.2550 0.0000 1 0 0 0 0 3 N N_AMI 2 -6.4912 0.0000 0.0000 0.0000 1 4 5 0 0 115.0000 20.0000 0.0000 4 HN H_AMI 0 3.2103 -0.4226 0.9063 0.0000 3 0 0 0 0 8.2800 0.6500 0.0000 5 CA C_ALI 3 1.1597 1.4530 0.0000 0.0000 3 6 7 28 0 56.5000 2.5000 0.0000 6 HA H_ALI 0 0.3677 1.7797 -0.4805 0.9222 5 0 0 0 0 4.2300 0.4200 0.0000 7 CB C_ALI 3 -0.5515 1.9888 -0.8392 -1.1617 5 8 9 11 0 32.5000 2.5000 0.0000 8 HB2 H_ALI 0 0.2687 1.6169 -1.8605 -1.0798 7 0 0 0 9 1.7400 0.3800 0.0000 9 HB3 H_ALI 0 0.2687 1.6169 -0.4400 -2.1053 7 0 0 0 8 1.8400 0.3400 0.0000 10 QB PSEUD 0 0.0000 1.6169 -1.1502 -1.5926 0 0 0 0 0 11 CG C_ALI 3 -0.4525 3.5188 -0.8471 -1.1725 7 12 13 15 0 23.2000 3.0000 0.0000 12 HG2 H_ALI 0 0.3677 3.8906 0.1742 -1.2551 11 0 0 0 13 1.3000 0.3900 0.0000 13 HG3 H_ALI 0 0.3677 3.8906 -1.2463 -0.2289 11 0 0 0 12 1.3600 0.3700 0.0000 14 QG PSEUD 0 0.0000 3.8906 -0.5361 -0.7420 0 0 0 0 0 15 CD C_ALI 3 -2.0930 4.0546 -1.6863 -2.3342 11 16 17 19 0 27.6000 3.0000 0.0000 16 HD2 H_ALI 0 1.8243 3.6827 -2.7076 -2.2516 15 0 0 0 17 1.5400 0.2400 0.0000 17 HD3 H_ALI 0 1.8243 3.6827 -1.2871 -3.2778 15 0 0 0 16 1.5700 0.2300 0.0000 18 QD PSEUD 0 0.0000 3.6827 -1.9974 -2.7647 0 0 0 0 0 19 CE C_ALI 3 0.9051 5.5845 -1.6941 -2.3450 15 20 21 23 0 40.4000 3.0000 0.0000 20 HE2 H_ALI 0 2.1920 5.9587 -0.6738 -2.4289 19 0 0 0 21 2.9100 0.1300 0.0000 21 HE3 H_ALI 0 2.1920 5.9587 -2.0943 -1.4027 19 0 0 0 20 2.9700 0.1000 0.0000 22 QE PSEUD 0 0.0000 5.9587 -1.3841 -1.9158 0 0 0 0 0 23 NZ N_AMO 3 -5.8266 6.0907 -2.5086 -3.4723 19 24 25 26 0 115.0000 20.0000 0.0000 24 HZ1 H_AMI 0 5.8266 7.0907 -2.5032 -3.4648 23 0 0 0 0 7.5300 0.0500 0.8000 25 HZ2 H_AMI 0 5.8266 5.7617 -3.4483 -3.3787 23 0 0 0 0 7.5300 0.0500 0.8000 26 HZ3 H_AMI 0 5.8266 5.7617 -2.1246 -4.3351 23 0 0 0 0 7.5300 0.0500 0.8000 27 QZ PSEUD 0 0.0000 6.2047 -2.6920 -3.7262 0 0 0 0 0 7.5300 0.0500 0.8000 28 C C_BYL 2 8.2024 1.9587 1.4440 0.0000 5 29 30 0 0 174.5000 3.0000 0.0000 29 O O_BYL 2 -7.0004 1.1648 2.3835 0.0000 28 0 0 0 0 30 N N_AMI 2 -6.4912 3.2772 1.5756 0.0000 28 0 0 0 0 115.0000 20.0000 0.0000 1 QB PSEUD 2 CHEM HB2 HB3 2 QG PSEUD 2 CHEM HG2 HG3 3 QD PSEUD 2 CHEM HD2 HD3 4 QE PSEUD 2 CHEM HE2 HE3 5 QZ PSEUD 3 MAGN HZ1 HZ2 HZ3 RESIDUE MET 7 23 3 22 -19 3 1 OMEGA -1 2 10.0000 2 1 3 4 0 2 PHI 0 0 0.0000 1 3 5 21 0 3 CHI1 1 3 1.3500 3 5 7 11 20 4 CHI2 1 3 1.3500 5 7 11 15 20 5 CHI3 1 3 1.0000 7 11 15 17 20 6 CHI4 1 3 1.0000 11 15 17 18 20 7 PSI 0 0 0.0000 3 5 21 23 0 1 C C_BYL 2 8.2024 -0.6824 -1.1357 0.0000 2 3 0 0 0 2 O O_BYL 2 -7.0004 -0.1723 -2.2550 0.0000 1 0 0 0 0 3 N N_AMI 2 -6.4912 0.0000 0.0000 0.0000 1 4 5 0 0 115.0000 20.0000 0.0000 4 HN H_AMI 0 3.2103 -0.4226 0.9063 0.0000 3 0 0 0 0 8.1000 0.4400 0.0000 5 CA C_ALI 3 1.1597 1.4530 0.0000 0.0000 3 6 7 21 0 55.3000 2.5000 0.0000 6 HA H_ALI 0 0.3677 1.7457 -0.5091 0.9183 5 0 0 0 0 4.4100 0.5100 0.0000 7 CB C_ALI 3 -0.1838 1.9637 -0.7431 -1.2361 5 8 9 11 0 32.6000 2.5000 0.0000 8 HB2 H_ALI 0 0.5515 1.5826 -1.7643 -1.2341 7 0 0 0 9 1.8900 0.1900 0.0000 9 HB3 H_ALI 0 0.5515 1.5826 -0.2624 -2.1371 7 0 0 0 8 2.0300 0.2100 0.0000 10 QB PSEUD 0 0.0000 1.5826 -1.0134 -1.6856 0 0 0 0 0 11 CG C_ALI 3 -2.1920 3.4932 -0.7637 -1.2704 7 12 13 15 0 30.6000 3.0000 0.0000 12 HG2 H_ALI 0 0.8202 3.8789 0.2557 -1.2752 11 0 0 0 13 2.5500 0.1700 0.0000 13 HG3 H_ALI 0 0.8202 3.8789 -1.2461 -0.3722 11 0 0 0 12 2.6000 0.1300 0.0000 14 QG PSEUD 0 0.0000 3.8789 -0.4952 -0.8237 0 0 0 0 0 15 SD S_RED 3 0.6364 4.0596 -1.6359 -2.7211 11 17 0 0 0 16 QE PSEUD 0 0.0000 6.1844 -1.4722 -2.4490 0 0 0 0 0 1.9800 0.2100 0.0000 17 CE C_ALI 3 -3.4648 5.8250 -1.4999 -2.4950 15 18 19 20 0 15.5000 3.0000 0.0000 18 HE1 H_ALI 0 1.0041 6.3363 -1.9959 -3.3200 17 0 0 0 0 1.9800 0.2100 0.0000 19 HE2 H_ALI 0 1.0041 6.1084 -0.4476 -2.4720 17 0 0 0 0 1.9800 0.2100 0.0000 20 HE3 H_ALI 0 1.0041 6.1084 -1.9731 -1.5549 17 0 0 0 0 1.9800 0.2100 0.0000 21 C C_BYL 2 8.2024 2.0013 1.4284 0.0000 5 22 23 0 0 173.4000 3.0000 0.0000 22 O O_BYL 2 -7.0004 1.2356 2.3910 0.0000 21 0 0 0 0 23 N N_AMI 2 -6.4912 3.3231 1.5208 0.0000 21 0 0 0 0 115.0000 20.0000 0.0000 1 QB PSEUD 2 CHEM HB2 HB3 2 QG PSEUD 2 CHEM HG2 HG3 3 QE PSEUD 3 MAGN HE1 HE2 HE3 RESIDUE PHE 5 27 3 26 -28 4 1 OMEGA -1 2 10.0000 2 1 3 4 0 2 PHI 0 0 0.0000 1 3 5 23 0 3 CHI1 1 3 1.3500 3 5 7 11 22 4 CHI2 0 0 0.0000 5 7 11 12 22 5 PSI 0 0 0.0000 3 5 23 25 0 1 C C_BYL 2 8.2024 -0.6824 -1.1357 0.0000 2 3 0 0 0 2 O O_BYL 2 -7.0004 -0.1723 -2.2550 0.0000 1 0 0 0 0 3 N N_AMI 2 -6.4912 0.0000 0.0000 0.0000 1 4 5 0 0 115.0000 20.0000 0.0000 4 HN H_AMI 0 3.2103 -0.4226 0.9063 0.0000 3 0 0 0 0 8.4900 0.8000 0.0000 5 CA C_ALI 3 1.1597 1.4530 0.0000 0.0000 3 6 7 25 0 58.0000 2.5000 0.0000 6 HA H_ALI 0 0.3677 1.7765 -0.5114 0.9066 5 0 0 0 0 4.6900 0.4800 0.0000 7 CB C_ALI 3 -0.7354 1.9003 -0.7053 -1.2819 5 8 9 11 0 39.0000 2.5000 0.0000 8 HB2 H_ALI 0 0.4525 1.4836 -1.7124 -1.2948 7 0 0 0 9 2.8500 0.2800 0.0000 9 HB3 H_ALI 0 0.4525 1.4836 -0.1770 -2.1395 7 0 0 0 8 3.1600 0.2800 0.0000 10 QB PSEUD 0 0.0000 1.4836 -0.9447 -1.7171 0 0 0 0 0 11 CG C_VIN 2 0.3677 3.4189 -0.7951 -1.4453 7 12 20 0 0 137.8000 3.0000 0.0000 12 CD1 C_ARO 2 -0.2687 3.9503 -1.3986 -2.5422 11 13 14 0 0 131.0000 2.0000 0.0000 13 HD1 H_ARO 0 0.1838 3.2943 -1.8182 -3.3049 12 0 0 0 0 7.1200 0.2700 0.0000 14 CE1 C_ARO 2 -0.2687 5.3597 -1.4820 -2.6938 12 15 16 0 0 130.0000 2.0000 0.0000 15 HE1 H_ARO 0 0.1838 5.7856 -1.9656 -3.5729 14 0 0 0 0 7.1700 0.3000 0.0000 16 CZ C_ARO 2 0.2687 6.1782 -0.9585 -1.7422 14 17 18 0 0 128.3000 2.0000 0.0000 17 HZ H_ARO 0 0.0849 7.2601 -1.0225 -1.8585 16 0 0 0 0 7.0800 0.4400 0.0000 18 CE2 C_ARO 2 -0.2687 5.6468 -0.3550 -0.6453 16 19 20 0 0 130.0000 0.2900 0.0000 19 HE2 H_ARO 0 0.1838 6.3028 0.0646 0.1174 18 0 0 0 0 7.1700 0.3000 0.0000 20 CD2 C_ARO 2 -0.2687 4.2374 -0.2716 -0.4937 11 18 21 0 0 131.0000 2.0000 0.0000 21 HD2 H_ARO 0 0.1838 3.8115 0.2120 0.3854 20 0 0 0 0 7.1200 0.2700 0.0000 22 QR PSEUD 0 0.0000 4.7986 -0.8768 -1.5938 0 0 0 0 0 23 QD PSEUD 0 0.0000 4.7986 -0.8768 -1.5938 0 0 0 0 0 24 QE PSEUD 0 0.0000 4.7986 -0.8768 -1.5938 0 0 0 0 0 25 C C_BYL 2 8.2024 2.0013 1.4284 0.0000 5 26 27 0 0 25.7000 3.0000 0.0000 26 O O_BYL 2 -7.0004 1.2356 2.3910 0.0000 25 0 0 0 0 27 N N_AMI 2 -6.4912 3.3231 1.5208 0.0000 25 0 0 0 0 115.0000 20.0000 0.0000 1 QB PSEUD 2 CHEM HB2 HB3 2 QR PSEUD 5 CHEM HD1 HD2 HE1 HE2 HZ 3 QD PSEUD 2 CHEM HD1 HD2 4 QE PSEUD 2 CHEM HE1 HE2 RESIDUE PRO 2 20 3 19 16 3 1 OMEGA -1 2 10.0000 2 1 3 4 0 2 PSI 0 0 0.0000 3 5 18 20 0 1 C C_BYL 2 8.2024 -0.7005 0.3017 1.1260 2 3 0 0 0 2 O O_BYL 2 -7.0004 -0.1904 0.5914 2.2071 1 0 0 0 0 3 N N_AMI 2 -5.1902 0.0000 0.0000 0.0000 1 4 5 0 0 115.0000 20.0000 0.0000 4 CD C_ALI 3 1.8243 -0.5705 -0.3478 -1.2981 3 11 15 16 0 48.5000 3.0000 0.0000 5 CA C_ALI 3 0.9051 1.4530 0.0000 0.0000 3 6 7 18 0 63.1000 2.5000 0.0000 6 HA H_ALI 0 0.7212 1.8001 -0.4260 0.8355 5 0 0 0 0 4.4800 0.3100 0.0000 7 CB C_ALI 3 -0.4525 1.8464 -0.7872 -1.2393 5 8 9 11 0 31.7000 2.5000 0.0000 8 HB2 H_ALI 0 0.2687 2.6920 -0.3217 -1.7456 7 0 0 0 9 1.8800 0.3500 0.0000 9 HB3 H_ALI 0 0.2687 2.1502 -1.8009 -0.9780 7 0 0 0 8 2.1800 0.4000 0.0000 10 QB PSEUD 0 0.0000 2.4211 -1.0613 -1.3618 0 0 0 0 0 11 CG C_ALI 3 -0.9051 0.6166 -0.8003 -2.1326 4 7 12 13 0 24.0000 3.0000 0.0000 12 HG2 H_ALI 0 0.4525 0.7579 -0.1376 -2.9864 11 0 0 0 13 1.9200 0.5000 0.0000 13 HG3 H_ALI 0 0.4525 0.4445 -1.8004 -2.5305 11 0 0 0 12 2.0200 0.4500 0.0000 14 QG PSEUD 0 0.0000 0.6012 -0.9690 -2.7585 0 0 0 0 0 15 HD2 H_ALI 0 0.1838 -1.0711 0.5072 -1.7525 4 0 0 0 16 3.6200 0.2800 0.0000 16 HD3 H_ALI 0 0.1838 -1.3137 -1.1396 -1.2047 4 0 0 0 15 3.7700 0.2900 0.0000 17 QD PSEUD 0 0.0000 -1.1924 -0.3162 -1.4786 0 0 0 0 0 18 C C_BYL 2 8.2873 2.0013 1.4284 0.0000 5 19 20 0 0 174.000 3.0000 0.0000 19 O O_BYL 2 -7.0004 1.2356 2.3910 0.0000 18 0 0 0 0 20 N N_AMI 2 -6.4912 3.3231 1.5208 0.0000 18 0 0 0 0 115.0000 20.0000 0.0000 1 QB PSEUD 2 CHEM HB2 HB3 2 QG PSEUD 2 CHEM HG2 HG3 3 QD PSEUD 2 CHEM HD2 HD3 RESIDUE SER 5 15 3 14 8 1 1 OMEGA -1 2 10.0000 2 1 3 4 0 2 PHI 0 0 0.0000 1 3 5 13 0 3 CHI1 1 3 1.3500 3 5 7 11 12 4 CHI2 1 3 0.3000 5 7 11 12 12 5 PSI 0 0 0.0000 3 5 13 15 0 1 C C_BYL 2 8.2024 -0.6824 -1.1357 0.0000 2 3 0 0 0 2 O O_BYL 2 -7.0004 -0.1723 -2.2550 0.0000 1 0 0 0 0 3 N N_AMI 2 -6.4912 0.0000 0.0000 0.0000 1 4 5 0 0 115.0000 20.0000 0.0000 4 HN H_AMI 0 3.2103 -0.4226 0.9063 0.0000 3 0 0 0 0 8.4800 0.5800 0.0000 5 CA C_ALI 3 1.1597 1.4530 0.0000 0.0000 3 6 7 13 0 58.2000 2.5000 0.0000 6 HA H_ALI 0 0.3677 1.7416 -0.5122 0.9178 5 0 0 0 0 4.5000 0.4700 0.0000 7 CB C_ALI 3 2.3617 2.0038 -0.7653 -1.2049 5 8 9 11 0 63.2000 2.5000 0.0000 8 HB2 H_ALI 0 0.3677 1.6328 -1.7901 -1.1839 7 0 0 0 9 3.7200 0.4400 0.0000 9 HB3 H_ALI 0 0.3677 1.6328 -0.3109 -2.1235 7 0 0 0 8 3.8900 0.4300 0.0000 10 QB PSEUD 0 0.0000 1.6328 -1.0505 -1.6537 0 0 0 0 0 11 OG O_HYD 3 -5.6427 3.4286 -0.7774 -1.2238 7 12 0 0 0 12 HG H_OXY 0 3.0971 3.7558 -1.2840 -2.0214 11 0 0 0 0 13 C C_BYL 2 8.2024 1.9763 1.4377 0.0000 5 14 15 0 0 172.6000 3.0000 0.0000 14 O O_BYL 2 -7.0004 1.1939 2.3868 0.0000 13 0 0 0 0 15 N N_AMI 2 -6.4912 3.2963 1.5532 0.0000 13 0 0 0 0 115.0000 20.0000 0.0000 1 QB PSEUD 2 CHEM HB2 HB3 RESIDUE THR 6 18 3 17 7 1 1 OMEGA -1 2 10.0000 2 1 3 4 0 2 PHI 0 0 0.0000 1 3 5 16 0 3 CHI1 1 3 1.3500 3 5 7 10 15 4 CHI21 1 3 0.3000 5 7 10 11 11 5 CHI22 1 3 1.3500 5 7 12 13 15 6 PSI 0 0 0.0000 3 5 16 18 0 1 C C_BYL 2 8.2024 -0.6824 -1.1357 0.0000 2 3 0 0 0 2 O O_BYL 2 -7.0004 -0.1723 -2.2550 0.0000 1 0 0 0 0 3 N N_AMI 2 -6.4912 0.0000 0.0000 0.0000 1 4 5 0 0 115.0000 20.0000 0.0000 4 HN H_AMI 0 3.2103 -0.4226 0.9063 0.0000 3 0 0 0 0 8.3000 0.7500 0.0000 5 CA C_ALI 3 1.1597 1.4530 0.0000 0.0000 3 6 7 16 0 62.1000 2.5000 0.0000 6 HA H_ALI 0 0.3677 1.7966 -0.4689 0.9220 5 0 0 0 0 4.5300 0.4300 0.0000 7 CB C_ALI 3 2.9133 1.9258 -0.8241 -1.1992 5 8 10 12 0 69.2000 2.5000 0.0000 8 HB H_ALI 0 0.2687 1.5187 -1.8345 -1.1619 7 0 0 0 0 4.1700 0.3100 0.0000 9 QG2 PSEUD 0 0.0000 1.5244 0.0064 -2.8527 0 0 0 0 0 1.1500 0.1600 0.0000 10 OG1 O_HYD 3 -5.6569 3.3475 -0.7692 -1.1194 7 11 0 0 0 11 HG1 H_OXY 0 3.0971 3.7526 -1.2870 -1.8728 10 0 0 0 0 12 CG2 C_ALI 3 -1.7253 1.6014 -0.1530 -2.5354 7 13 14 15 0 20.0000 3.0000 0.0000 13 HG21 H_ALI 0 0.5515 1.9584 -0.7795 -3.3528 12 0 0 0 0 1.1500 0.1600 0.0000 14 HG22 H_ALI 0 0.5515 0.5230 -0.0208 -2.6232 12 0 0 0 0 1.1500 0.1600 0.0000 15 HG23 H_ALI 0 0.5515 2.0917 0.8194 -2.5821 12 0 0 0 0 1.1500 0.1600 0.0000 16 C C_BYL 2 8.2024 1.9863 1.4340 0.0000 5 17 18 0 0 172.5000 3.0000 0.0000 17 O O_BYL 2 -7.0004 1.2106 2.3886 0.0000 16 0 0 0 0 18 N N_AMI 2 -6.4912 3.3070 1.5402 0.0000 16 0 0 0 0 115.0000 20.0000 0.0000 1 QG2 PSEUD 3 MAGN HG21 HG22 HG23 RESIDUE TRP 5 28 3 27 9 1 1 OMEGA -1 2 10.0000 2 1 3 4 0 2 PHI 0 0 0.0000 1 3 5 26 0 3 CHI1 1 3 1.3500 3 5 7 11 25 4 CHI2 0 0 0.0000 5 7 11 12 25 5 PSI 0 0 0.0000 3 5 26 28 0 1 C C_BYL 2 8.2024 -0.6824 -1.1357 0.0000 2 3 0 0 0 2 O O_BYL 2 -7.0004 -0.1723 -2.2550 0.0000 1 0 0 0 0 3 N N_AMI 2 -6.4912 0.0000 0.0000 0.0000 1 4 5 0 0 115.0000 20.0000 0.0000 4 HN H_AMI 0 3.2103 -0.4226 0.9063 0.0000 3 0 0 0 0 8.4300 0.3700 0.0000 5 CA C_ALI 3 1.1597 1.4530 0.0000 0.0000 3 6 7 26 0 57.7000 2.5000 0.0000 6 HA H_ALI 0 0.3677 1.7862 -0.5002 0.9093 5 0 0 0 0 4.2900 0.8000 0.0000 7 CB C_ALI 3 -0.5515 2.0013 -0.8067 -1.1787 5 8 9 11 0 30.3000 2.5000 0.0000 8 HB2 H_ALI 0 0.2687 1.6202 -1.8261 -1.1167 7 0 0 0 9 3.0600 0.2300 0.0000 9 HB3 H_ALI 0 0.2687 1.6202 -0.3799 -2.1065 7 0 0 0 8 3.4200 0.2200 0.0000 10 QB PSEUD 0 0.0000 1.6202 -1.1030 -1.6116 0 0 0 0 0 11 CG C_VIN 2 -0.4525 3.5292 -0.8520 -1.2448 7 12 13 0 0 110.3000 3.0000 0.0000 12 CD1 C_ARO 2 1.5556 4.2978 -1.4719 -2.1507 11 16 17 0 0 125.9000 3.0000 0.0000 13 CD2 C_VIN 2 0.0849 4.4485 -0.2236 -0.3267 11 14 15 0 0 128.3000 3.0000 0.0000 14 CE3 C_ARO 2 -1.4566 4.2018 0.5582 0.8155 13 18 19 0 0 120.7000 3.0000 0.0000 15 CE2 C_VIN 2 2.7294 5.7342 -0.5067 -0.7404 13 16 20 0 0 137.6000 3.0000 0.0000 16 NE1 N_AMI 2 -5.1053 5.6397 -1.2900 -1.8848 12 15 21 0 0 115.0000 20.0000 0.0000 17 HD1 H_ARO 0 0.0000 3.9116 -2.0476 -2.9918 12 0 0 0 0 7.1800 0.3000 0.0000 18 HE3 H_ARO 0 1.4566 3.1962 0.7957 1.1626 14 0 0 0 0 7.3900 0.2400 0.0000 19 CZ3 C_ARO 2 -0.3677 5.3514 1.0094 1.4749 14 22 23 0 0 123.2000 3.0000 0.0000 20 CZ2 C_ARO 2 -1.0889 6.8740 -0.0475 -0.0695 15 23 24 0 0 113.2000 3.0000 0.0000 21 HE1 H_AMI 0 2.3759 6.4722 -1.6873 -2.4654 16 0 0 0 0 10.1500 0.3000 0.5000 22 HZ3 H_ARO 0 0.1838 5.2167 1.6203 2.3675 19 0 0 0 0 7.0000 0.3000 0.0000 23 CH2 C_ARO 2 -0.0849 6.6525 0.7332 1.0713 19 20 25 0 0 119.8000 3.0000 0.0000 24 HZ2 H_ARO 0 0.5515 7.8795 -0.2851 -0.4166 20 0 0 0 0 7.4100 0.3200 0.0000 25 HH2 H_ARO 0 0.1838 7.4966 1.1227 1.6404 23 0 0 0 0 7.1700 0.1700 0.0000 26 C C_BYL 2 8.2024 1.9258 1.4551 0.0000 5 27 28 0 0 173.4000 3.0000 0.0000 27 O O_BYL 2 -7.0004 1.1108 2.3763 0.0000 26 0 0 0 0 28 N N_AMI 2 -6.4912 3.2409 1.6166 0.0000 26 0 0 0 0 115.0000 20.0000 0.0000 1 QB PSEUD 2 CHEM HB2 HB3 RESIDUE TYR 6 28 3 27 13 4 1 OMEGA -1 2 10.0000 2 1 3 4 0 2 PHI 0 0 0.0000 1 3 5 24 0 3 CHI1 1 3 1.3500 3 5 7 11 23 4 CHI2 0 0 0.0000 5 7 11 12 23 5 CHI6 -1 2 1.7500 14 16 22 23 23 6 PSI 0 0 0.0000 3 5 24 26 0 1 C C_BYL 2 8.2024 -0.6824 -1.1357 0.0000 2 3 0 0 0 2 O O_BYL 2 -7.0004 -0.1723 -2.2550 0.0000 1 0 0 0 0 3 N N_AMI 2 -6.4912 0.0000 0.0000 0.0000 1 4 5 0 0 115.0000 20.0000 0.0000 4 HN H_AMI 0 3.2103 -0.4226 0.9063 0.0000 3 0 0 0 0 8.5700 0.9800 0.0000 5 CA C_ALI 3 1.1597 1.4530 0.0000 0.0000 3 6 7 26 0 58.1000 2.5000 0.0000 6 HA H_ALI 0 0.3677 1.7894 -0.5104 0.9024 5 0 0 0 0 4.6400 0.4900 0.0000 7 CB C_ALI 3 -0.7354 1.8747 -0.6954 -1.2959 5 8 9 11 0 38.8000 2.5000 0.0000 8 HB2 H_ALI 0 0.4525 1.4494 -1.6989 -1.3128 7 0 0 0 9 2.8100 0.1900 0.0000 9 HB3 H_ALI 0 0.4525 1.4494 -0.1548 -2.1414 7 0 0 0 8 3.0400 0.2800 0.0000 10 QB PSEUD 0 0.0000 1.4494 -0.9269 -1.7271 0 0 0 0 0 11 CG C_VIN 2 0.3677 3.3898 -0.7961 -1.4835 7 12 19 0 0 122.7000 3.0000 0.0000 12 CD1 C_ARO 2 -0.1838 3.9068 -1.4012 -2.6111 11 13 14 0 0 131.7000 3.0000 0.0000 13 HD1 H_ARO 0 0.1838 3.2356 -1.8074 -3.3679 12 0 0 0 0 7.0000 0.2000 0.0000 14 CE1 C_ARO 2 -1.0889 5.3328 -1.4960 -2.7877 12 15 16 0 0 118.0000 3.0000 0.0000 15 HE1 H_ARO 0 0.5515 5.7543 -1.9713 -3.6734 14 0 0 0 0 6.7000 0.2000 0.0000 16 CZ C_VIN 2 4.1012 6.1417 -0.9790 -1.8244 14 17 22 0 0 160.0000 10.0000 0.0000 17 CE2 C_ARO 2 -1.0889 5.6654 -0.3767 -0.7019 16 18 19 0 0 118.0000 3.0000 0.0000 18 HE2 H_ARO 0 0.5515 6.3477 0.0253 0.0471 17 0 0 0 0 6.7000 0.2000 0.0000 19 CD2 C_ARO 2 -0.1838 4.2394 -0.2819 -0.5253 11 17 20 0 0 131.7000 3.0000 0.0000 20 HD2 H_ARO 0 0.1838 3.8311 0.1960 0.3652 19 0 0 0 0 7.0000 0.2000 0.0000 21 QR PSEUD 0 0.0000 4.7922 -0.8893 -1.6572 0 0 0 0 0 22 OH O_HYD 3 -6.0100 7.4885 -1.0685 -1.9912 16 23 0 0 0 23 HH H_OXY 0 2.9981 7.9579 -0.6510 -1.2132 22 0 0 0 0 24 QE PSEUD 0 0.0000 4.7922 -0.8893 -1.6572 0 0 0 0 0 25 QD PSEUD 0 0.0000 4.7922 -0.8893 -1.6572 0 0 0 0 0 26 C C_BYL 2 8.2024 2.0013 1.4284 0.0000 5 27 28 0 0 173.0000 3.0000 0.0000 27 O O_BYL 2 -7.0004 1.2356 2.3910 0.0000 26 0 0 0 0 28 N N_AMI 2 -6.4912 3.3231 1.5208 0.0000 26 0 0 0 0 115.0000 20.0000 0.0000 1 QB PSEUD 2 CHEM HB2 HB3 2 QR PSEUD 4 CHEM HD1 HD2 HE1 HE2 3 QD PSEUD 2 CHEM HD1 HD2 4 QE PSEUD 2 CHEM HE1 HE2 RESIDUE VAL 6 22 3 21 -42 3 1 OMEGA -1 2 10.0000 2 1 3 4 0 2 PHI 0 0 0.0000 1 3 5 20 0 3 CHI1 1 3 1.3500 3 5 7 11 19 4 CHI21 1 3 1.3500 5 7 11 12 14 5 CHI22 1 3 1.3500 5 7 15 16 18 6 PSI 0 0 0.0000 3 5 20 22 0 1 C C_BYL 2 8.2024 -0.6824 -1.1357 0.0000 2 3 0 0 0 2 O O_BYL 2 -7.0004 -0.1723 -2.2550 0.0000 1 0 0 0 0 3 N N_AMI 2 -6.4912 0.0000 0.0000 0.0000 1 4 5 0 0 115.0000 20.0000 0.0000 4 HN H_AMI 0 3.2103 -0.4226 0.9063 0.0000 3 0 0 0 0 8.2000 0.6100 0.0000 5 CA C_ALI 3 1.1597 1.4530 0.0000 0.0000 3 6 7 20 0 62.3000 2.5000 0.0000 6 HA H_ALI 0 0.3677 1.7819 -0.4870 0.9180 5 0 0 0 0 4.1600 0.5500 0.0000 7 CB C_ALI 3 0.1414 1.9763 -0.8167 -1.1833 5 8 11 15 0 32.1000 2.5000 0.0000 8 HB H_ALI 0 0.2970 1.6329 -0.3367 -2.0997 7 0 0 0 0 2.0200 0.2500 0.0000 9 QG1 PSEUD 0 0.0000 3.8693 -0.8354 -1.2105 0 0 0 0 10 0.7600 0.2200 0.0000 10 QG2 PSEUD 0 0.0000 1.2807 -2.5773 -1.1531 0 0 0 0 9 0.8800 0.2200 0.0000 11 CG1 C_ALI 3 -1.3011 3.5061 -0.8318 -1.2052 7 12 13 14 0 19.6000 3.0000 0.3000 12 HG11 H_ALI 0 0.4525 3.8514 -1.4191 -2.0561 11 0 0 0 0 0.7600 0.2200 0.0000 13 HG12 H_ALI 0 0.4525 3.8783 0.1889 -1.2932 11 0 0 0 0 0.7600 0.2200 0.0000 14 HG13 H_ALI 0 0.4525 3.8783 -1.2761 -0.2821 11 0 0 0 0 0.7600 0.2200 0.0000 15 CG2 C_ALI 3 -1.3011 1.4141 -2.2394 -1.1589 7 16 17 18 0 18.6000 3.0000 0.3000 16 HG21 H_ALI 0 0.4525 1.8021 -2.7980 -2.0107 15 0 0 0 0 0.8800 0.2200 0.0000 17 HG22 H_ALI 0 0.4525 1.7137 -2.7326 -0.2341 15 0 0 0 0 0.8800 0.2200 0.0000 18 HG23 H_ALI 0 0.4525 0.3262 -2.2013 -1.2144 15 0 0 0 0 0.8800 0.2200 0.0000 19 QQG PSEUD 0 0.0000 2.5750 -1.7064 -1.1818 0 0 0 0 0 20 C C_BYL 2 8.2024 1.9587 1.4440 0.0000 5 21 22 0 0 173.9000 3.0000 0.0000 21 O O_BYL 2 -7.0004 1.1648 2.3835 0.0000 20 0 0 0 0 22 N N_AMI 2 -6.4912 3.2772 1.5756 0.0000 20 0 0 0 0 115.0000 20.0000 0.0000 1 QG1 PSEUD 3 MAGN HG11 HG12 HG13 2 QG2 PSEUD 3 MAGN HG21 HG22 HG23 3 QQG PSEUD 2 CHEM QG1 QG2 TAILRES COO- 0 4 4 4 0 0 1 CA C_ALI 3 1.1597 -1.5300 0.0000 0.0000 2 0 0 0 0 2 C C_BYL 2 8.2024 0.0000 0.0000 0.0000 1 3 4 0 0 3 O O_BYL 2 -9.7015 0.5675 1.1138 0.0000 2 0 0 0 0 4 OB O_BYL 2 -9.7015 0.5675 -1.1138 0.0000 2 0 0 0 0 TAILRES COOH 1 5 4 5 0 0 1 OCOH -1 2 4.0000 3 2 4 5 0 1 CA C_ALI 3 1.1597 -1.5300 0.0000 0.0000 2 0 0 0 0 2 C C_BYL 2 8.2024 0.0000 0.0000 0.0000 1 3 4 0 0 3 O O_BYL 2 -6.9296 0.6243 1.0598 0.0000 2 0 0 0 0 4 O2 O_HYD 3 -6.9296 0.5452 -1.1691 0.0000 2 5 0 0 0 5 H H_OXY 0 3.7194 1.5414 -1.0820 0.0000 4 0 0 0 0 TAILRES CONH2 1 5 3 5 0 0 1 OMEGA 0 0 0.0000 2 1 3 4 0 1 C C_BYL 2 8.2024 0.0000 0.0000 0.0000 2 3 0 0 0 2 O O_BYL 2 0.0000 0.6243 1.0598 0.0000 1 0 0 0 0 3 N N_AMI 2 -7.0994 0.5600 -1.2009 0.0000 1 4 5 0 0 4 HN1 H_AMI 0 3.5497 -0.0136 -2.0200 0.0000 3 0 0 0 0 5 HN2 H_AMI 0 3.5497 1.5562 -1.2880 0.0000 3 0 0 0 0 TAILRES CONHM 2 8 3 8 0 1 1 OMEGA 0 0 0.0000 2 1 3 4 0 2 CNCH 0 0 0.0000 1 3 5 6 0 1 C C_BYL 2 8.2024 0.0000 0.0000 0.0000 2 3 0 0 0 2 O O_BYL 2 0.0000 0.6243 1.0598 0.0000 1 0 0 0 0 3 N N_AMI 2 -6.2933 0.5600 -1.2009 0.0000 1 4 5 0 0 4 HN H_AMI 0 2.9698 0.0449 -2.0580 0.0000 3 0 0 0 0 5 C C_ALI 3 0.9051 2.0050 -1.3527 0.0000 3 6 7 8 0 6 H1 H_ALI 0 0.8061 2.4200 -0.8796 -0.8900 5 0 0 0 0 7 H2 H_ALI 0 0.8061 2.4200 -0.8796 0.8900 5 0 0 0 0 8 H3 H_ALI 0 0.8061 2.2590 -2.4127 0.0000 5 0 0 0 0 1 QH PSEUD 3 H1 H2 H3 RESIDUE ADE 6 35 3 34 1 0 1 TORZ 0 0 0.00 1 2 3 6 0 2 TORA 0 0 0.00 2 3 6 7 0 3 TORB 0 0 0.00 3 6 7 10 0 4 TORG 0 0 0.00 6 7 10 32 0 5 CHI 0 0 0.00 12 13 15 16 28 6 TORE 0 0 0.00 10 32 34 35 0 1 C3' C_ALI 0 0.00 2.4318 3.9851 8.7204 2 0 0 0 0 2 O3' O_EST 0 0.00 3.5808 4.0322 9.5544 1 3 0 0 0 3 P P_ALI 0 0.00 4.6312 5.2243 9.3628 2 4 5 6 0 4 OP1 O_BYL 0 0.00 3.9811 6.5142 9.6851 3 0 0 0 0 5 OP2 O_BYL 0 0.00 5.2464 5.1325 8.0198 3 0 0 0 0 6 O5' O_EST 0 0.00 5.7185 4.8713 10.4819 3 7 0 0 0 7 C5' C_ALI 0 0.00 6.8639 5.7299 10.6394 6 8 9 10 0 8 H5' H_ALI 0 0.00 7.4195 5.7695 9.7025 7 0 0 0 9 9 H5" H_ALI 0 0.00 6.5318 6.7335 10.9072 7 0 0 0 8 10 C4' C_ALI 0 0.00 7.7568 5.2069 11.7520 7 11 12 32 0 11 H4' H_ALI 0 0.00 7.1582 5.0284 12.6458 10 0 0 0 0 12 O4' O_EST 0 0.00 8.2541 3.8858 11.3770 10 13 0 0 0 13 C1' C_ALI 0 0.00 9.6204 3.9708 10.9987 12 14 15 29 0 14 H1' H_ALI 0 0.00 10.2183 3.3379 11.6552 13 0 0 0 0 15 N9 N_AMI 0 0.00 9.8122 3.3275 9.6352 13 16 28 0 0 16 C8 C_ARO 0 0.00 10.9328 3.1663 8.8633 15 17 18 0 0 17 H8 H_ARO 0 0.00 11.8870 3.5319 9.2134 16 0 0 0 0 18 N7 N_AMI 0 0.00 10.7258 2.5036 7.7642 16 19 0 0 0 19 C5 C_ARO 0 0.00 9.3695 2.2011 7.8051 18 20 28 0 0 20 C6 C_ARO 0 0.00 8.5293 1.5091 6.9244 19 21 24 0 0 21 N6 N_AMI 0 0.00 8.9503 0.9682 5.7726 20 22 23 0 0 22 H61 H_AMI 0 0.00 9.9194 1.0496 5.5002 21 0 0 0 23 23 H62 H_AMI 0 0.00 8.2973 0.4799 5.1759 21 0 0 0 22 24 N1 N_AMI 0 0.00 7.2387 1.3913 7.2663 20 25 0 0 0 25 C2 C_ARO 0 0.00 6.8276 1.9301 8.4108 24 26 27 0 0 26 H2 H_ARO 0 0.00 5.7925 1.8459 8.7051 25 0 0 0 0 27 N3 N_AMI 0 0.00 7.5209 2.5988 9.3137 25 28 0 0 0 28 C4 C_ARO 0 0.00 8.8153 2.7033 8.9446 15 19 27 0 0 29 C2' C_ALI 0 0.00 10.0256 5.4452 11.0358 13 30 31 32 0 30 H2' H_ALI 0 0.00 10.3689 6.2335 10.3665 29 0 0 0 31 31 H2" H_ALI 0 0.00 10.8772 5.0325 11.5774 29 0 0 0 30 32 C3' C_ALI 0 0.00 9.0187 6.0239 12.0325 10 29 33 34 0 33 H3' H_ALI 0 0.00 8.7860 7.0868 11.9673 32 0 0 0 0 34 O3' O_EST 0 0.00 9.5829 5.8951 13.3299 32 35 0 0 0 35 P P_ALI 0 0.00 10.9044 6.7236 13.6879 34 0 0 0 0 RESIDUE CYT 6 33 3 32 1 0 1 TORZ 0 0 0.00 1 2 3 6 0 2 TORA 0 0 0.00 2 3 6 7 0 3 TORB 0 0 0.00 3 6 7 10 0 4 TORG 0 0 0.00 6 7 10 30 0 5 CHI 0 0 0.00 12 13 15 16 26 6 TORE 0 0 0.00 10 30 32 33 0 1 C3' C_ALI 0 0.00 10.7765 0.5676 14.3606 2 0 0 0 0 2 O3' O_EST 0 0.00 12.0891 0.0249 14.3381 1 3 0 0 0 3 P P_ALI 0 0.00 13.2925 0.8761 14.9606 2 4 5 6 0 4 OP1 O_BYL 0 0.00 13.0744 1.0555 16.4130 3 0 0 0 0 5 OP2 O_BYL 0 0.00 13.4767 2.1192 14.1793 3 0 0 0 0 6 O5' O_EST 0 0.00 14.5342 -0.1037 14.7169 3 7 0 0 0 7 C5' C_ALI 0 0.00 15.8439 0.3093 15.1496 6 8 9 10 0 8 H5' H_ALI 0 0.00 15.8401 0.4599 16.2292 7 0 0 0 9 9 H5" H_ALI 0 0.00 16.1134 1.2419 14.6545 7 0 0 0 8 10 C4' C_ALI 0 0.00 16.8640 -0.7686 14.8192 7 11 12 30 0 11 H4' H_ALI 0 0.00 16.5106 -1.7297 15.1921 10 0 0 0 0 12 O4' O_EST 0 0.00 16.9198 -0.9369 13.3701 10 13 0 0 0 13 C1' C_ALI 0 0.00 18.1105 -0.3546 12.8589 12 14 15 27 0 14 H1' H_ALI 0 0.00 18.7039 -1.1197 12.3594 13 0 0 0 0 15 N1 N_AMI 0 0.00 17.7346 0.5746 11.7570 13 16 25 0 0 16 C6 C_ARO 0 0.00 18.6806 1.2780 11.0776 15 17 18 0 0 17 H6 H_ARO 0 0.00 19.7234 1.1684 11.3351 16 0 0 0 0 18 C5 C_ARO 0 0.00 18.3349 2.1261 10.0724 16 19 20 0 0 19 H5 H_ARO 0 0.00 19.1063 2.6817 9.5389 18 0 0 0 0 20 C4 C_ARO 0 0.00 16.9420 2.2384 9.7693 18 21 24 0 0 21 N4 N_AMI 0 0.00 16.5354 3.0425 8.8047 20 22 23 0 0 22 H41 H_AMI 0 0.00 17.2398 3.5639 8.3019 21 0 0 0 23 23 H42 H_AMI 0 0.00 15.5530 3.1233 8.5889 21 0 0 0 22 24 N3 N_AMI 0 0.00 16.0240 1.5461 10.4386 20 25 0 0 0 25 C2 C_ARO 0 0.00 16.3896 0.7037 11.4417 15 24 26 0 0 26 O2 C_BYL 0 0.00 15.5635 0.0419 12.0876 25 0 0 0 0 27 C2' C_ALI 0 0.00 18.8386 0.3198 14.0228 13 28 29 30 0 28 H2' H_ALI 0 0.00 19.7179 0.8908 14.3208 27 0 0 0 29 29 H2" H_ALI 0 0.00 18.0673 1.0026 13.6643 27 0 0 0 28 30 C3' C_ALI 0 0.00 18.3074 -0.4648 15.2239 10 27 31 32 0 31 H3' H_ALI 0 0.00 18.3174 0.0228 16.1992 30 0 0 0 0 32 O3' O_EST 0 0.00 19.1621 -1.5835 15.4127 30 33 0 0 0 33 P P_ALI 0 0.00 20.6848 -1.3349 15.8368 32 0 0 0 0 RESIDUE GUA 6 36 3 35 1 0 1 TORZ 0 0 0.00 1 2 3 6 0 2 TORA 0 0 0.00 2 3 6 7 0 3 TORB 0 0 0.00 3 6 7 10 0 4 TORG 0 0 0.00 6 7 10 33 0 5 CHI 0 0 0.00 12 13 15 16 29 6 TORE 0 0 0.00 10 33 35 36 0 1 C3' C_ALI 0 0.00 15.2635 -2.5065 13.7508 2 0 0 0 0 2 O3' O_EST 0 0.00 16.5069 -2.9144 13.1995 1 3 0 0 0 3 P P_ALI 0 0.00 17.8612 -2.4895 13.9377 2 4 5 6 0 4 OP1 O_BYL 0 0.00 17.9146 -3.1172 15.2769 3 0 0 0 0 5 OP2 O_BYL 0 0.00 17.9991 -1.0163 13.9114 3 0 0 0 0 6 O5' O_EST 0 0.00 18.9627 -3.1521 12.9854 3 7 0 0 0 7 C5' C_ALI 0 0.00 20.3559 -2.9943 13.3146 6 8 9 10 0 8 H5' H_ALI 0 0.00 20.6051 -1.9339 13.3455 7 0 0 0 9 9 H5" H_ALI 0 0.00 20.5534 -3.4424 14.2879 7 0 0 0 8 10 C4' C_ALI 0 0.00 21.2175 -3.7008 12.2799 7 11 12 33 0 11 H4' H_ALI 0 0.00 20.8641 -4.7240 12.1487 10 0 0 0 0 12 O4' O_EST 0 0.00 21.0066 -3.0712 10.9797 10 13 0 0 0 13 C1' C_ALI 0 0.00 22.1287 -2.2717 10.6387 12 14 15 30 0 14 H1' H_ALI 0 0.00 22.5664 -2.6367 9.7086 13 0 0 0 0 15 N9 N_AMI 0 0.00 21.6369 -0.9103 10.2865 13 16 29 0 0 16 C8 C_ARO 0 0.00 22.3533 0.2011 9.8927 15 17 18 0 0 17 H8 H_ARO 0 0.00 23.4285 0.1474 9.8061 16 0 0 0 0 18 N7 N_AMI 0 0.00 21.6133 1.2565 9.6566 16 19 0 0 0 19 C5 C_ARO 0 0.00 20.3182 0.8194 9.9112 18 20 29 0 0 20 C6 C_ARO 0 0.00 19.0808 1.5119 9.8295 19 21 22 0 0 21 O6 O_BYL 0 0.00 18.8710 2.6806 9.5091 20 0 0 0 0 22 N1 N_AMI 0 0.00 18.0081 0.6815 10.1757 20 23 24 0 0 23 H1 H_AMI 0 0.00 17.0921 1.0805 10.1509 22 0 0 0 0 24 C2 C_ARO 0 0.00 18.1147 -0.6426 10.5498 22 25 28 0 0 25 N2 N_AMI 0 0.00 16.9640 -1.2642 10.8442 24 26 27 0 0 26 H21 H_AMI 0 0.00 16.0364 -0.8653 10.8312 25 0 0 0 27 27 H22 H_AMI 0 0.00 17.0336 -2.2316 11.1270 25 0 0 0 26 28 N3 N_AMI 0 0.00 19.2734 -1.2901 10.6233 24 29 0 0 0 29 C4 C_ARO 0 0.00 20.3272 -0.4971 10.2895 15 19 28 0 0 30 C2' C_ALI 0 0.00 23.0988 -2.2981 11.8210 13 31 32 33 0 31 H2' H_ALI 0 0.00 23.5417 -1.6212 12.5522 30 0 0 0 32 32 H2" H_ALI 0 0.00 23.8163 -2.4893 11.0232 30 0 0 0 31 33 C3' C_ALI 0 0.00 22.7287 -3.6164 12.5032 10 30 34 35 0 34 H3' H_ALI 0 0.00 22.9467 -3.7227 13.5658 33 0 0 0 0 35 O3' O_EST 0 0.00 23.5161 -4.6382 11.9093 33 36 0 0 0 36 P P_ALI 0 0.00 25.1037 -4.6085 12.1047 35 0 0 0 0 RESIDUE THY 6 35 3 34 1 0 1 TORZ 0 0 0.00 1 2 3 6 0 2 TORA 0 0 0.00 2 3 6 7 0 3 TORB 0 0 0.00 3 6 7 10 0 4 TORG 0 0 0.00 6 7 10 32 0 5 CHI 0 0 0.00 12 13 15 16 28 6 TORE 0 0 0.00 10 32 34 35 0 1 C3' C_ALI 0 0.00 6.3420 3.1478 12.4581 2 0 0 0 0 2 O3' O_EST 0 0.00 7.6192 2.7774 12.9564 1 3 0 0 0 3 P P_ALI 0 0.00 8.7078 3.9172 13.2259 2 4 5 6 0 4 OP1 O_BYL 0 0.00 8.2275 4.8211 14.2952 3 0 0 0 0 5 OP2 O_BYL 0 0.00 9.0693 4.5707 11.9480 3 0 0 0 0 6 O5' O_EST 0 0.00 9.9432 3.0539 13.7616 3 7 0 0 0 7 C5' C_ALI 0 0.00 11.1616 3.7300 14.1272 6 8 9 10 0 8 H5' H_ALI 0 0.00 11.5465 4.2771 13.2666 7 0 0 0 9 9 H5" H_ALI 0 0.00 10.9608 4.4274 14.9404 7 0 0 0 8 10 C4' C_ALI 0 0.00 12.1926 2.7208 14.6051 7 11 12 32 0 11 H4' H_ALI 0 0.00 11.7472 2.0783 15.3645 10 0 0 0 0 12 O4' O_EST 0 0.00 12.5131 1.8177 13.5041 10 13 0 0 0 13 C1' C_ALI 0 0.00 13.7953 2.1287 12.9767 12 14 15 29 0 14 H1' H_ALI 0 0.00 14.4484 1.2619 13.0743 13 0 0 0 0 15 N1 N_AMI 0 0.00 13.6947 2.3166 11.4616 13 16 27 0 0 16 C6 C_ARO 0 0.00 14.7726 2.6251 10.6742 15 17 18 0 0 17 H6 H_ARO 0 0.00 15.7494 2.7463 11.1195 16 0 0 0 0 18 C5 C_ARO 0 0.00 14.6531 2.7289 9.3434 16 19 23 0 0 19 C7 C_ALI 0 0.00 15.8270 3.0659 8.4726 18 20 21 22 0 20 H71 H_ALI 0 0.00 16.5991 2.3056 8.5921 19 0 0 0 0 21 H72 H_ALI 0 0.00 15.5095 3.0989 7.4310 19 0 0 0 0 22 H73 H_ALI 0 0.00 16.2274 4.0378 8.7611 19 0 0 0 0 23 C4 C_ARO 0 0.00 13.3835 2.5188 8.6988 18 24 25 0 0 24 O4 O_BYL 0 0.00 13.1781 2.5927 7.4883 23 0 0 0 0 25 N3 N_AMI 0 0.00 12.3549 2.2129 9.5676 23 26 27 0 0 26 H3 H_AMI 0 0.00 11.3730 2.0457 9.1261 25 0 0 0 0 27 C2 C_ARO 0 0.00 12.4468 2.0999 10.9401 15 25 28 0 0 28 O2 O_BYL 0 0.00 11.4767 1.8246 11.6269 27 0 0 0 0 29 C2' C_ALI 0 0.00 14.3127 3.3690 13.7081 13 30 31 32 0 30 H2' H_ALI 0 0.00 14.5928 4.4020 13.5033 29 0 0 0 31 31 H2" H_ALI 0 0.00 15.2119 2.7559 13.7777 29 0 0 0 30 32 C3' C_ALI 0 0.00 13.5442 3.2994 15.0289 10 29 33 34 0 33 H3' H_ALI 0 0.00 13.4018 4.3072 15.4198 32 0 0 0 0 34 O3' O_EST 0 0.00 14.3149 2.5174 15.9296 32 35 0 0 0 35 P P_ALI 0 0.00 15.7376 3.0653 16.4120 34 0 0 0 0