# Each atom type definition starts with "PARM" index in the first # four columns. Each atom types may have multiple "EQUA" atom types # and multiple "CORR" atom types. For the "CORR" lines, if no penalty # parameter presents, the default value will be used ------------------------------------------------------------------------- # atomtype improper_flag group_id mass equivalent_flag PARM C 1 0 12.01 0 EQUA c CORR c2 4.9 21.9 4.3 2.9 2.9 2.3 96.7 -1.0 36.1 CORR ca 3.1 13.8 3.8 2.9 3.0 2.0 109.9 -1.0 36.6 CORR cp 6.2 27.6 0.2 6.5 3.1 2.5 113.5 -1.0 40.1 CORR cq 6.2 27.6 0.2 6.5 3.1 2.5 113.5 -1.0 40.1 CORR cc 3.2 14.2 5.5 2.5 3.7 2.3 48.2 -1.0 26.6 CORR cd 3.2 14.2 5.5 2.5 3.7 2.3 48.2 -1.0 26.6 CORR ce 3.6 16.1 4.6 1.8 3.1 2.4 126.9 -1.0 39.9 CORR cf 3.6 16.1 4.6 1.8 3.1 2.4 126.9 -1.0 39.9 # PARM CA 1 0 12.01 0 EQUA ca CORR CB 1.2 4.9 4.7 0.1 7.0 0.1 19.9 -1.0 19.8 CORR CC 0.3 0.6 -1.0 -1.0 0.8 0.1 3.4 -1.0 17.8 CORR CD 2.0 8.3 -1.0 -1.0 1.4 0.1 44.6 -1.0 26.3 CORR CK -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR CM 1.8 8.0 1.9 0.1 2.1 0.1 58.0 -1.0 26.1 CORR CN 0.4 1.7 2.2 0.1 6.4 0.1 5.7 -1.0 16.5 CORR CQ 1.1 3.9 -1.0 -1.0 0.5 0.1 34.5 -1.0 23.6 CORR CR 2.8 11.1 -1.0 -1.0 1.7 0.1 43.1 -1.0 26.6 CORR C* -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR c2 3.4 15.4 3.8 3.4 3.4 2.3 74.2 -1.0 31.1 CORR cp 2.4 10.7 2.0 1.4 3.7 2.0 56.8 -1.0 26.9 CORR cq 2.4 10.7 2.0 1.4 3.7 2.0 56.8 -1.0 26.9 CORR cc 1.9 8.6 2.8 1.9 2.4 1.7 35.5 -1.0 22.9 CORR cd 1.9 8.6 2.8 1.9 2.4 1.7 35.5 -1.0 22.9 CORR ce 2.6 11.5 2.7 1.9 2.6 1.7 79.4 -1.0 30.8 CORR cf 2.6 11.5 2.7 1.9 2.6 1.7 79.4 -1.0 30.8 # PARM CB 1 0 12.01 0 EQUA ca CORR CA 1.2 4.9 4.7 0.1 7.0 0.1 19.9 -1.0 19.8 CORR CC 0.2 1.0 -1.0 -1.0 0.1 0.1 6.1 -1.0 18.2 CORR CD -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR CK 3.3 12.7 -1.0 -1.0 1.6 0.1 60.9 -1.0 29.9 CORR CM 1.5 6.9 -1.0 -1.0 3.2 0.1 24.9 -1.0 22.8 CORR CN 1.9 7.5 4.5 0.1 0.3 0.1 30.7 -1.0 21.6 CORR CQ 2.2 8.5 -1.0 -1.0 2.8 0.1 48.4 -1.0 27.1 CORR CR 4.1 16.4 -1.0 -1.0 0.1 0.1 64.9 -1.0 31.3 CORR C* -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR c2 3.4 15.4 3.8 3.4 3.4 2.3 74.2 -1.0 31.1 CORR cp 2.4 10.7 2.0 1.4 3.7 2.0 56.8 -1.0 26.9 CORR cq 2.4 10.7 2.0 1.4 3.7 2.0 56.8 -1.0 26.9 CORR cc 1.9 8.6 2.8 1.9 2.4 1.7 35.5 -1.0 22.9 CORR cd 1.9 8.6 2.8 1.9 2.4 1.7 35.5 -1.0 22.9 CORR ce 2.6 11.5 2.7 1.9 2.6 1.7 79.4 -1.0 30.8 CORR cf 2.6 11.5 2.7 1.9 2.6 1.7 79.4 -1.0 30.8 # PARM CC 1 0 12.01 0 EQUA cc EQUA cd CORR CA 0.3 0.6 -1.0 -1.0 0.8 0.1 3.4 -1.0 17.8 CORR CB 0.2 1.0 -1.0 -1.0 0.1 0.1 6.1 -1.0 18.2 CORR CD 0.4 0.1 -1.0 -1.0 0.1 0.1 0.1 -1.0 17.1 CORR CK 6.7 25.3 -1.0 -1.0 0.1 0.1 122.6 -1.0 42.8 CORR CM 0.4 0.1 -1.0 -1.0 0.9 0.1 -1.0 -1.0 28.0 CORR CN 0.4 1.4 -1.0 -1.0 2.6 0.1 8.5 -1.0 18.9 CORR CQ -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR CR 3.7 14.8 -1.0 -1.0 0.1 0.1 60.0 -1.0 30.1 CORR C* -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR c2 1.8 8.0 3.7 2.3 3.8 2.0 25.1 -1.0 21.3 CORR ca 1.9 8.6 2.8 1.9 2.4 1.7 35.5 -1.0 22.9 CORR cp 1.7 7.9 3.3 2.7 4.2 2.1 -1.0 -1.0 28.0 CORR cq 1.7 7.9 3.3 2.7 4.2 2.1 -1.0 -1.0 28.0 CORR ce 1.3 5.6 3.7 1.9 2.7 1.6 9.2 -1.0 18.0 CORR cf 2.5 11.2 3.8 2.2 3.0 1.9 9.2 -1.0 19.2 # PARM CD 1 0 12.01 0 EQUA cc EQUA cd CORR CA 2.0 8.3 -1.0 -1.0 1.4 0.1 44.6 -1.0 26.3 CORR CB -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR CC 0.4 0.1 -1.0 -1.0 0.1 0.1 0.1 -1.0 17.1 CORR CK -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR CM 0.9 3.9 0.3 0.1 0.1 0.1 73.9 -1.0 27.7 CORR CN -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR CQ -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR CR -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR CV -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR CW -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR C* -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR c2 1.8 8.0 3.7 2.3 3.8 2.0 25.1 -1.0 21.3 CORR ca 1.9 8.6 2.8 1.9 2.4 1.7 35.5 -1.0 22.9 CORR cp 1.7 7.9 3.3 2.7 4.2 2.1 -1.0 -1.0 28.0 CORR cq 1.7 7.9 3.3 2.7 4.2 2.1 -1.0 -1.0 28.0 CORR ce 1.3 5.6 3.7 1.9 2.7 1.6 9.2 -1.0 18.0 CORR cf 2.5 11.2 3.8 2.2 3.0 1.9 9.2 -1.0 19.2 # PARM CK 1 0 12.01 0 EQUA cc EQUA cd CORR CA -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR CB 3.3 12.7 -1.0 -1.0 1.6 0.1 60.9 -1.0 29.9 CORR CC 6.7 25.3 -1.0 -1.0 0.1 0.1 122.6 -1.0 42.8 CORR CD -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR CM 0.2 0.9 -1.0 -1.0 6.1 0.1 8.5 -1.0 19.1 CORR CN -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR CQ 0.1 0.1 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 29.4 CORR CR 1.2 4.0 2.5 0.1 0.1 0.1 66.7 -1.0 26.7 CORR CV 6.7 25.3 -1.0 -1.0 0.1 0.1 122.6 -1.0 42.8 CORR CW -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR C* -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR c2 1.8 8.0 3.7 2.3 3.8 2.0 25.1 -1.0 21.3 CORR ca 1.9 8.6 2.8 1.9 2.4 1.7 35.5 -1.0 22.9 CORR cp 1.7 7.9 3.3 2.7 4.2 2.1 -1.0 -1.0 28.0 CORR cq 1.7 7.9 3.3 2.7 4.2 2.1 -1.0 -1.0 28.0 CORR ce 1.3 5.6 3.7 1.9 2.7 1.6 9.2 -1.0 18.0 CORR cf 2.5 11.2 3.8 2.2 3.0 1.9 9.2 -1.0 19.2 # PARM CM 1 0 12.01 0 EQUA ca CORR CA 1.8 8.0 1.9 0.1 2.1 0.1 58.0 -1.0 26.1 CORR CB 1.5 6.9 -1.0 -1.0 3.2 0.1 24.9 -1.0 22.8 CORR CC 0.4 0.1 -1.0 -1.0 0.9 0.1 -1.0 -1.0 28.0 CORR CD 0.9 3.9 0.3 0.1 0.1 0.1 73.9 -1.0 27.7 CORR CK 0.2 0.9 -1.0 -1.0 6.1 0.1 8.5 -1.0 19.1 CORR CN 2.3 9.4 -1.0 -1.0 -1.0 -1.0 34.8 -1.0 26.3 CORR CQ 0.1 0.1 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 29.4 CORR CR 0.1 0.1 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 29.4 CORR CV 0.1 0.1 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 29.4 CORR CW 0.1 0.1 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 29.4 CORR C* -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR CZ 3.4 23.2 -1.0 -1.0 0.6 0.1 -1.0 -1.0 32.3 CORR c2 3.4 15.4 3.8 3.4 3.4 2.3 74.2 -1.0 31.1 CORR cp 2.4 10.7 2.0 1.4 3.7 2.0 56.8 -1.0 26.9 CORR cq 2.4 10.7 2.0 1.4 3.7 2.0 56.8 -1.0 26.9 CORR cc 1.9 8.6 2.8 1.9 2.4 1.7 35.5 -1.0 22.9 CORR cd 1.9 8.6 2.8 1.9 2.4 1.7 35.5 -1.0 22.9 CORR ce 2.6 11.5 2.7 1.9 2.6 1.7 79.4 -1.0 30.8 CORR cf 2.6 11.5 2.7 1.9 2.6 1.7 79.4 -1.0 30.8 # PARM CN 1 0 12.01 0 EUQA ca CORR CA 0.4 1.7 2.2 0.1 6.4 0.1 5.7 -1.0 16.5 CORR CB 1.9 7.5 4.5 0.1 0.3 0.1 30.7 -1.0 21.6 CORR CC 0.4 1.4 -1.0 -1.0 2.6 0.1 8.5 -1.0 18.9 CORR CD -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR CK -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR CM 2.3 9.4 -1.0 -1.0 -1.0 -1.0 34.8 -1.0 26.3 CORR CQ -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR CR 2.7 10.8 -1.0 -1.0 4.9 0.1 41.6 -1.0 26.6 CORR CV -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR CW 0.1 0.2 -1.0 -1.0 2.6 0.1 1.7 -1.0 17.6 CORR C* -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR c2 3.4 15.4 3.8 3.4 3.4 2.3 74.2 -1.0 31.1 CORR cp 2.4 10.7 2.0 1.4 3.7 2.0 56.8 -1.0 26.9 CORR cq 2.4 10.7 2.0 1.4 3.7 2.0 56.8 -1.0 26.9 CORR cc 1.9 8.6 2.8 1.9 2.4 1.7 35.5 -1.0 22.9 CORR cd 1.9 8.6 2.8 1.9 2.4 1.7 35.5 -1.0 22.9 CORR ce 2.6 11.5 2.7 1.9 2.6 1.7 79.4 -1.0 30.8 CORR cf 2.6 11.5 2.7 1.9 2.6 1.7 79.4 -1.0 30.8 # PARM CQ 1 0 12.01 0 EQUA cc EQUA cd CORR CA 1.1 3.9 -1.0 -1.0 0.5 0.1 34.5 -1.0 23.6 CORR CB 2.2 8.5 -1.0 -1.0 2.8 0.1 48.4 -1.0 27.1 CORR CC -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR CD -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR CK 0.1 0.1 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 29.4 CORR CM 0.1 0.1 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 29.4 CORR CN -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR CR 0.1 0.1 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 29.4 CORR CV -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR CW -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR C* -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR c2 1.8 8.0 3.7 2.3 3.8 2.0 25.1 -1.0 21.3 CORR ca 1.9 8.6 2.8 1.9 2.4 1.7 35.5 -1.0 22.9 CORR cp 1.7 7.9 3.3 2.7 4.2 2.1 -1.0 -1.0 28.0 CORR cq 1.7 7.9 3.3 2.7 4.2 2.1 -1.0 -1.0 28.0 CORR ce 1.3 5.6 3.7 1.9 2.7 1.6 9.2 -1.0 18.0 CORR cf 2.5 11.2 3.8 2.2 3.0 1.9 9.2 -1.0 19.2 # PARM CR 1 0 12.01 0 EQUA cc EQUA cd CORR CA 2.8 11.1 -1.0 -1.0 1.7 0.1 43.1 -1.0 26.6 CORR CB 4.1 16.4 -1.0 -1.0 0.1 0.1 64.9 -1.0 31.3 CORR CC 3.7 14.8 -1.0 -1.0 0.1 0.1 60.0 -1.0 30.1 CORR CD -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR CK 1.2 4.0 2.5 0.1 0.1 0.1 66.7 -1.0 26.7 CORR CM 0.1 0.1 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 29.4 CORR CN 2.7 10.8 -1.0 -1.0 4.9 0.1 41.6 -1.0 26.6 CORR CQ 0.1 0.1 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 29.4 CORR CV 4.3 17.4 -1.0 -1.0 0.1 0.1 70.3 -1.0 32.3 CORR CW 2.8 11.1 -1.0 -1.0 0.1 0.1 43.1 -1.0 26.5 CORR C* -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR c2 1.8 8.0 3.7 2.3 3.8 2.0 25.1 -1.0 21.3 CORR ca 1.9 8.6 2.8 1.9 2.4 1.7 35.5 -1.0 22.9 CORR cp 1.7 7.9 3.3 2.7 4.2 2.1 -1.0 -1.0 28.0 CORR cq 1.7 7.9 3.3 2.7 4.2 2.1 -1.0 -1.0 28.0 CORR ce 1.3 5.6 3.7 1.9 2.7 1.6 9.2 -1.0 18.0 CORR cf 2.5 11.2 3.8 2.2 3.0 1.9 9.2 -1.0 19.2 # PARM CT 0 0 12.01 0 EQUA c3 # PARM CV 1 0 12.01 0 EQUA cc EQUA cd CORR C 0.1 0.1 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 29.4 CORR CA 0.1 0.1 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 29.4 CORR CB 0.2 1.0 -1.0 -1.0 0.1 0.1 6.1 -1.0 18.2 CORR CC 0.1 0.1 -1.0 -1.0 0.1 0.1 0.1 -1.0 17.1 CORR CD -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR CK 6.7 25.3 -1.0 -1.0 0.1 0.1 122.6 -1.0 42.8 CORR CM 0.1 0.1 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 29.4 CORR CN -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR CQ -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR CR 4.3 17.4 -1.0 -1.0 0.1 0.1 70.3 -1.0 32.3 CORR CW 0.1 0.6 0.1 0.1 0.1 0.1 4.3 -1.0 15.4 CORR C* -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR c2 1.8 8.0 3.7 2.3 3.8 2.0 25.1 -1.0 21.3 CORR ca 1.9 8.6 2.8 1.9 2.4 1.7 35.5 -1.0 22.9 CORR cp 1.7 7.9 3.3 2.7 4.2 2.1 -1.0 -1.0 28.0 CORR cq 1.7 7.9 3.3 2.7 4.2 2.1 -1.0 -1.0 28.0 CORR ce 1.3 5.6 3.7 1.9 2.7 1.6 9.2 -1.0 18.0 CORR cf 2.5 11.2 3.8 2.2 3.0 1.9 9.2 -1.0 19.2 # PARM CW 1 0 12.01 0 EQUA cc EQUA cd CORR CA 0.1 0.1 -1.0 -1.0 1.7 0.1 0.1 -1.0 17.2 CORR CB 7.6 33.8 -1.0 -1.0 2.8 0.1 118.3 -1.0 43.9 CORR CC 0.3 1.2 -1.0 -1.0 0.1 0.1 6.9 -1.0 18.4 CORR CD -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR CK -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR CM 0.1 0.1 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 29.4 CORR CN 0.1 0.2 -1.0 -1.0 2.6 0.1 1.7 -1.0 17.6 CORR CQ -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR CR 2.8 11.1 -1.0 -1.0 0.1 0.1 43.1 -1.0 26.5 CORR CV 0.1 0.6 0.1 0.1 0.1 0.1 4.3 -1.0 15.4 CORR C* -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR c2 1.8 8.0 3.7 2.3 3.8 2.0 25.1 -1.0 21.3 CORR ca 1.9 8.6 2.8 1.9 2.4 1.7 35.5 -1.0 22.9 CORR cp 1.7 7.9 3.3 2.7 4.2 2.1 -1.0 -1.0 28.0 CORR cq 1.7 7.9 3.3 2.7 4.2 2.1 -1.0 -1.0 28.0 CORR ce 1.3 5.6 3.7 1.9 2.7 1.6 9.2 -1.0 18.0 CORR cf 2.5 11.2 3.8 2.2 3.0 1.9 9.2 -1.0 19.2 # PARM C* 1 0 12.01 0 EQUA cc EQUA cd CORR CA -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR CB -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR CC -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR CD -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR CK -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR CM -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR CN -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR CQ -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR CR -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR CV -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR CW -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR c2 1.8 8.0 3.7 2.3 3.8 2.0 25.1 -1.0 21.3 CORR ca 1.9 8.6 2.8 1.9 2.4 1.7 35.5 -1.0 22.9 CORR cp 1.7 7.9 3.3 2.7 4.2 2.1 -1.0 -1.0 28.0 CORR cq 1.7 7.9 3.3 2.7 4.2 2.1 -1.0 -1.0 28.0 CORR ce 1.3 5.6 3.7 1.9 2.7 1.6 9.2 -1.0 18.0 CORR cf 2.5 11.2 3.8 2.2 3.0 1.9 9.2 -1.0 19.2 # PARM CY 0 0 12.01 0 EQUA c1 CORR CZ 0.1 0.1 -1.0 -1.0 0.1 0.1 0.1 -1.0 17.1 CORR cg 5.1 22.7 0.4 0.5 0.1 0.8 0.1 -1.0 19.3 CORR ch 5.1 22.7 0.4 0.5 0.1 0.8 0.1 -1.0 19.3 # PARM CZ 0 0 12.01 0 EQUA c1 CORR CY 0.1 0.1 -1.0 -1.0 0.1 0.1 0.1 -1.0 17.1 CORR cg 5.1 22.7 0.4 0.5 0.1 0.8 0.1 -1.0 19.3 CORR ch 5.1 22.7 0.4 0.5 0.1 0.8 0.1 -1.0 19.3 # PARM C1 0 0 12.01 0 EQUA CZ EQUA c1 CORR CY 0.1 0.1 -1.0 -1.0 0.1 0.1 0.1 -1.0 17.1 CORR cg 5.1 22.7 0.4 0.5 0.1 0.8 0.1 -1.0 19.3 CORR ch 5.1 22.7 0.4 0.5 0.1 0.8 0.1 -1.0 19.3 # PARM H 0 0 1.008 0 EQUA hn CORR HO -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR HW -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR ho -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 # PARM HO 0 0 1.008 0 EQUA ho CORR H -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR HS -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR HW -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR hn -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 # PARM HS 0 0 1.008 0 EQUA hs CORR H -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR HO -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR HW -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR HP -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR hp -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR hc -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 # PARM HP 0 0 1.008 0 EQUA hp CORR HC 0.1 0.1 -1.0 -1.0 0.1 0.1 -1.0 -1.0 27.9 CORR H1 0.1 0.1 -1.0 -1.0 0.1 0.1 -1.0 -1.0 27.9 CORR H2 0.1 0.1 -1.0 -1.0 0.1 0.1 -1.0 -1.0 27.9 CORR H3 0.1 0.1 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 29.4 CORR HA -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR H4 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR H5 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR HS -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR HZ -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR hs -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR hc -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 # PARM HA 0 0 1.008 0 EQUA ha CORR H4 0.1 0.1 -1.0 -1.0 0.1 0.1 -1.0 -1.0 27.9 CORR H5 0.1 0.1 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 29.4 CORR HZ -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR h4 0.3 1.5 -1.0 -1.0 1.7 0.9 -1.0 -1.0 28.3 CORR h5 0.4 1.9 -1.0 -1.0 3.1 1.5 -1.0 -1.0 28.6 CORR h1 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR h2 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR h3 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR hc 0.3 1.3 -1.0 -1.0 1.6 0.8 -1.0 -1.0 28.3 # PARM HC 0 0 1.008 0 EQUA hc CORR H1 0.1 0.1 -1.0 -1.0 0.1 0.1 -1.0 -1.0 27.9 CORR H2 0.1 0.1 -1.0 -1.0 0.1 0.1 -1.0 -1.0 27.9 CORR H3 0.1 0.1 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 29.4 CORR h1 0.2 0.7 -1.0 -1.0 1.1 0.5 -1.0 -1.0 28.1 CORR h2 0.4 1.6 -1.0 -1.0 0.8 0.4 -1.0 -1.0 28.3 CORR h3 0.3 1.2 -1.0 -1.0 1.3 0.6 -1.0 -1.0 28.2 CORR h4 0.3 1.2 -1.0 -1.0 1.8 0.9 -1.0 -1.0 28.3 CORR h5 0.4 1.8 -1.0 -1.0 2.2 1.1 -1.0 -1.0 28.5 CORR ha 0.3 1.3 -1.0 -1.0 1.6 0.8 -1.0 -1.0 28.3 # PARM HW 0 0 1.008 0 EQUA hw CORR H -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR HO -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR HS -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR ho -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 # PARM H1 0 0 1.008 0 EQUA h1 CORR HC 0.1 0.1 -1.0 -1.0 0.1 0.1 -1.0 -1.0 27.9 CORR H2 0.1 0.1 -1.0 -1.0 0.1 0.1 -1.0 -1.0 27.9 CORR H3 0.1 0.1 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 29.4 CORR h2 0.5 2.1 -1.0 -1.0 1.8 0.9 -1.0 -1.0 28.5 CORR h3 0.2 0.7 -1.0 -1.0 1.2 0.6 -1.0 -1.0 28.1 CORR h4 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR h5 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR ha -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR hc 0.2 0.7 -1.0 -1.0 1.1 0.5 -1.0 -1.0 28.1 # PARM H2 0 0 1.008 0 EQUA h2 CORR HC 0.1 0.1 -1.0 -1.0 0.1 0.1 -1.0 -1.0 27.9 CORR H1 0.1 0.1 -1.0 -1.0 0.1 0.1 -1.0 -1.0 27.9 CORR H3 0.1 0.1 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 29.4 CORR h1 0.5 2.1 -1.0 -1.0 1.8 0.9 -1.0 -1.0 28.5 CORR h3 0.5 2.1 -1.0 -1.0 1.0 0.5 -1.0 -1.0 28.4 CORR h4 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR h5 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR ha -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR hc 0.4 1.6 -1.0 -1.0 0.8 0.4 -1.0 -1.0 28.3 # PARM H3 0 0 1.008 0 EQUA h3 CORR HC 0.1 0.1 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 29.4 CORR H1 0.1 0.1 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 29.4 CORR H2 0.1 0.1 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 29.4 CORR h1 0.2 0.7 -1.0 -1.0 1.2 0.6 -1.0 -1.0 28.1 CORR h2 0.5 2.1 -1.0 -1.0 1.0 0.5 -1.0 -1.0 28.4 CORR h4 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR h5 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR ha -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR hc 0.3 1.2 -1.0 -1.0 1.3 0.6 -1.0 -1.0 28.2 # PARM H4 0 0 1.008 0 EQUA h4 CORR HA 0.1 0.1 -1.0 -1.0 0.1 0.1 -1.0 -1.0 27.9 CORR H5 0.1 0.1 -1.0 -1.0 6.1 0.1 -1.0 -1.0 28.4 CORR HZ -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR h1 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR h2 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR h3 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR h5 0.5 2.1 -1.0 -1.0 2.9 1.4 -1.0 -1.0 28.6 CORR ha 0.3 1.5 -1.0 -1.0 1.7 0.9 -1.0 -1.0 28.3 CORR hc 0.3 1.2 -1.0 -1.0 1.8 0.9 -1.0 -1.0 28.3 # PARM H5 0 0 1.008 0 EQUA h5 CORR HA 0.1 0.1 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 29.4 CORR H4 0.1 0.1 -1.0 -1.0 6.1 0.1 -1.0 -1.0 28.4 CORR HZ -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR h1 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR h2 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR h3 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR h4 0.5 2.1 -1.0 -1.0 2.9 1.4 -1.0 -1.0 28.6 CORR ha 0.4 1.9 -1.0 -1.0 3.1 1.5 -1.0 -1.0 28.6 CORR hc 0.4 1.8 -1.0 -1.0 2.2 1.1 -1.0 -1.0 28.5 # PARM HZ 0 0 1.008 0 EQUA h1 CORR HA -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR H4 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR H5 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR h2 0.5 2.1 -1.0 -1.0 1.8 0.9 -1.0 -1.0 28.5 CORR h3 0.2 0.7 -1.0 -1.0 1.2 0.6 -1.0 -1.0 28.1 CORR h4 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR h5 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR ha -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR hc 0.2 0.7 -1.0 -1.0 1.1 0.5 -1.0 -1.0 28.1 # PARM F 0 0 19.00 0 EQUA f CORR Cl 24.2 55.9 -1.0 -1.0 1.1 0.1 -1.0 -1.0 41.3 CORR Br 33.3 77.9 -1.0 -1.0 1.8 0.1 -1.0 -1.0 46.5 CORR I 43.0 81.1 -1.0 -1.0 2.3 0.1 -1.0 -1.0 48.7 CORR cl 24.0 21.0 -1.0 -1.0 2.1 8.5 -1.0 -1.0 36.2 CORR br 32.8 37.1 -1.0 -1.0 2.6 8.9 -1.0 -1.0 40.5 CORR i 44.6 52.2 -1.0 -1.0 3.5 20.4 -1.0 -1.0 46.0 # PARM Cl 0 0 35.45 0 EQUA cl CORR F 24.2 55.9 -1.0 -1.0 1.1 0.1 -1.0 -1.0 41.3 CORR Br 9.3 24.4 -1.0 -1.0 0.8 0.1 -1.0 -1.0 33.5 CORR I 19.3 28.1 -1.0 -1.0 1.2 0.1 -1.0 -1.0 35.9 CORR f 24.0 21.0 -1.0 -1.0 2.1 8.5 -1.0 -1.0 36.2 CORR br 9.3 21.2 -1.0 -1.0 1.0 1.7 -1.0 -1.0 33.1 CORR i 21.2 36.5 -1.0 -1.0 1.7 11.1 -1.0 -1.0 38.5 # PARM Br 0 0 79.90 0 EQUA br CORR F 33.3 77.9 -1.0 -1.0 1.8 0.1 -1.0 -1.0 46.5 CORR Cl 9.3 24.4 -1.0 -1.0 0.8 0.1 -1.0 -1.0 33.5 CORR I 10.1 3.9 -1.0 -1.0 0.9 0.1 -1.0 -1.0 30.2 CORR f 32.8 37.1 -1.0 -1.0 2.6 8.9 -1.0 -1.0 40.5 CORR cl 9.3 21.2 -1.0 -1.0 1.0 1.7 -1.0 -1.0 33.1 CORR i 12.0 19.0 -1.0 -1.0 2.1 10.9 -1.0 -1.0 34.1 # PARM I 0 0 126.9 0 EQUA i CORR F 43.0 81.1 -1.0 -1.0 2.3 0.1 -1.0 -1.0 48.7 CORR Cl 19.3 28.1 -1.0 -1.0 1.2 0.1 -1.0 -1.0 35.9 CORR Br 10.1 3.9 -1.0 -1.0 0.9 0.1 -1.0 -1.0 30.2 CORR f 44.6 52.2 -1.0 -1.0 3.5 20.4 -1.0 -1.0 46.0 CORR cl 21.2 36.5 -1.0 -1.0 1.7 11.1 -1.0 -1.0 38.5 CORR br 12.0 19.0 -1.0 -1.0 2.1 10.9 -1.0 -1.0 34.1 # PARM N 1 0 14.01 0 EQUA n CORR NA 1.9 7.9 2.7 0.1 1.9 0.1 59.7 -1.0 26.5 CORR N2 0.5 0.1 0.2 0.1 0.7 0.1 -1.0 -1.0 25.5 CORR na 1.4 6.3 4.4 2.6 2.8 1.6 39.4 -1.0 23.3 CORR nh 1.7 7.4 4.1 2.0 2.1 1.4 42.7 -1.0 23.9 # PARM NA 1 0 14.01 0 EQUA na CORR N 1.9 7.9 2.7 0.1 1.9 0.1 59.7 -1.0 26.5 CORR N2 1.5 5.9 1.7 0.1 3.3 0.1 46.2 -1.0 23.9 CORR n3 2.0 9.1 6.1 3.4 3.8 2.6 73.6 -1.0 30.0 CORR n4 6.1 26.7 7.0 4.0 3.4 3.2 89.6 -1.0 36.4 CORR nh 1.7 7.7 5.3 3.2 3.9 2.2 47.4 -1.0 25.2 # PARM NB 0 0 14.01 0 EQUA nc EQUA nd CORR NC 1.3 5.4 4.9 0.1 14.5 0.1 47.8 -1.0 25.2 CORR N* -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR n2 3.0 13.5 3.2 0.9 3.4 2.1 22.0 -1.0 21.7 CORR nb 0.4 2.0 5.2 3.1 3.4 1.6 0.1 -1.0 16.0 CORR ne 3.7 16.4 -1.0 -1.0 4.2 2.6 43.2 -1.0 28.1 CORR nf 4.4 19.8 -1.0 -1.0 2.2 2.0 43.2 -1.0 28.6 # PARM NC 0 0 14.01 0 EQUA nc EQUA nd CORR NB 1.3 5.4 4.9 0.1 14.5 0.1 47.8 -1.0 25.2 CORR N* -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR n2 3.0 13.5 3.2 0.9 3.4 2.1 22.0 -1.0 21.7 CORR nb 0.4 2.0 5.2 3.1 3.4 1.6 0.1 -1.0 16.0 CORR ne 3.7 16.4 -1.0 -1.0 4.2 2.6 43.2 -1.0 28.1 CORR nf 4.4 19.8 -1.0 -1.0 2.2 2.0 43.2 -1.0 28.6 # PARM N2 1 0 14.01 0 EQUA nh CORR N 0.5 0.1 0.2 0.1 0.7 0.1 -1.0 -1.0 25.5 CORR NA 1.5 5.9 1.7 0.1 3.3 0.1 46.2 -1.0 23.9 CORR n3 1.4 6.3 3.0 1.8 1.8 1.2 52.3 -1.0 25.2 CORR n4 6.0 26.3 4.9 4.4 3.9 3.2 74.9 -1.0 33.7 CORR na 1.7 7.7 5.3 3.2 3.9 2.2 47.4 -1.0 25.2 # PARM N3 0 0 14.01 0 EQUA n4 CORR N 0.8 4.3 8.0 0.1 1.2 11.9 -1.0 -1.0 27.9 CORR NA 0.1 0.1 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 29.4 CORR N2 0.3 4.3 8.5 0.1 0.1 0.1 200.0 -1.0 49.3 CORR NT 0.1 0.1 0.1 0.1 0.1 0.1 63.4 -1.0 25.1 CORR n3 5.8 25.5 4.3 4.5 3.4 4.5 23.1 -1.0 24.9 CORR na 6.1 26.7 7.0 4.0 3.4 3.2 89.6 -1.0 36.4 CORR nh 6.0 26.3 4.9 4.4 3.9 3.2 74.9 -1.0 33.7 # PARM NT 0 0 14.01 0 EQUA n3 CORR N 0.8 4.3 8.0 0.1 0.7 0.1 -1.0 -1.0 26.9 CORR NA 0.1 0.1 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 29.4 CORR N2 0.3 4.3 8.5 0.1 0.1 0.1 200.0 -1.0 49.3 CORR N3 0.1 0.1 0.1 0.1 0.1 0.1 63.4 -1.0 25.1 CORR n4 5.8 25.5 4.3 4.5 3.4 4.5 23.1 -1.0 24.9 CORR na 2.0 9.1 6.1 3.4 3.8 2.6 73.6 -1.0 30.0 CORR nh 1.4 6.3 3.0 1.8 1.8 1.2 52.3 -1.0 25.2 # PARM N* 1 0 14.01 0 EQUA nc EQUA nd CORR NB -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR NC -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR n2 3.0 13.5 3.2 0.9 3.4 2.1 22.0 -1.0 21.7 CORR nb 0.4 2.0 5.2 3.1 3.4 1.6 0.1 -1.0 16.0 CORR ne 3.7 16.4 -1.0 -1.0 4.2 2.6 43.2 -1.0 28.1 CORR nf 4.4 19.8 -1.0 -1.0 2.2 2.0 43.2 -1.0 28.6 # PARM NY 0 0 14.01 0 EQUA n1 # PARM O 0 0 16.00 0 EQUA o CORR O2 1.7 14.0 -1.0 -1.0 2.9 13.3 -1.0 -1.0 31.8 # PARM O2 0 0 16.00 0 EQUA o CORR O 1.7 14.0 -1.0 -1.0 2.9 13.3 -1.0 -1.0 31.8 # PARM OW 0 0 16.00 0 EQUA ow CORR OH -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR OS -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 # PARM OH 0 0 16.00 0 EQUA oh CORR OW -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR OS 0.6 0.1 3.1 0.1 1.2 10.8 19.0 0.1 4.6 CORR o 7.9 35.2 -1.0 -1.0 7.5 2.8 -1.0 -1.0 35.9 CORR os 1.4 6.3 -1.0 -1.0 2.6 1.4 26.1 0.1 8.5 CORR ow -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 # PARM OS 0 0 16.00 0 EQUA os CORR OW -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR OH 0.6 0.1 3.1 0.1 1.2 10.8 19.0 0.1 4.6 CORR o 8.7 38.5 -1.0 -1.0 8.1 3.0 -1.0 -1.0 36.6 CORR oh 1.4 6.3 -1.0 -1.0 2.6 1.4 26.1 0.1 8.5 CORR ow -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 # PARM P 0 0 30.97 0 EQUA p5 CORR p3 2.6 11.5 4.5 2.7 2.2 3.0 97.8 -1.0 34.2 CORR p4 3.8 17.1 3.4 3.9 2.5 4.4 29.7 -1.0 24.1 CORR px 1.2 5.4 4.2 1.8 1.2 0.8 52.7 -1.0 25.0 CORR py 1.0 4.7 2.1 1.5 2.7 2.2 19.4 -1.0 19.4 # PARM S 0 0 32.06 0 EQUA ss CORR SH 0.1 2.2 0.1 0.1 2.7 0.1 28.6 -1.0 19.9 CORR sh 1.0 4.4 -1.0 -1.0 1.8 1.3 45.1 -1.0 25.7 # PARM SH 0 0 32.06 0 EQUA sh CORR S 0.1 2.2 0.1 0.1 2.7 0.1 28.6 -1.0 19.9 CORR ss 1.0 4.4 -1.0 -1.0 1.8 1.3 45.1 -1.0 25.7 # PARM hc 0 0 1.008 0 CORR h1 0.2 0.7 -1.0 -1.0 1.1 0.5 -1.0 -1.0 28.1 CORR h2 0.4 1.6 -1.0 -1.0 0.8 0.4 -1.0 -1.0 28.3 CORR h3 0.3 1.2 -1.0 -1.0 1.3 0.6 -1.0 -1.0 28.2 CORR h4 0.3 1.2 -1.0 -1.0 1.8 0.9 -1.0 -1.0 28.3 CORR h5 0.4 1.8 -1.0 -1.0 2.2 1.1 -1.0 -1.0 28.5 CORR ha 0.3 1.3 -1.0 -1.0 1.6 0.8 -1.0 -1.0 28.3 # PARM ha 0 0 1.008 0 CORR h4 0.3 1.5 -1.0 -1.0 1.7 0.9 -1.0 -1.0 28.3 CORR h5 0.4 1.9 -1.0 -1.0 3.1 1.5 -1.0 -1.0 28.6 CORR h1 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR h2 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR h3 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR hc 0.3 1.3 -1.0 -1.0 1.6 0.8 -1.0 -1.0 28.3 # PARM hn 0 0 1.008 0 CORR ho -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 # PARM ho 0 0 1.008 0 CORR hn -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 # PARM hp 0 0 1.008 0 CORR hs -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR hc -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 # PARM hs 0 0 1.008 0 CORR hp -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR hc -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 # PARM hw 0 0 1.008 0 EQUA ho # PARM hx 0 0 1.008 0 CORR h1 0.2 0.8 -1.0 -1.0 1.2 0.6 -1.0 -1.0 28.2 CORR h2 0.5 2.3 -1.0 -1.0 0.5 0.2 -1.0 -1.0 28.4 CORR h3 0.3 1.6 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 29.7 CORR h4 0.1 0.4 -1.0 -1.0 3.1 1.6 -1.0 -1.0 28.3 CORR h5 0.8 3.5 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 30.1 CORR ha 0.4 1.7 -1.0 -1.0 4.5 2.1 -1.0 -1.0 28.7 CORR hc 0.2 0.8 -1.0 -1.0 1.4 0.7 -1.0 -1.0 28.2 # PARM h1 0 0 1.008 0 CORR h2 0.5 2.1 -1.0 -1.0 1.8 0.9 -1.0 -1.0 28.5 CORR h3 0.2 0.7 -1.0 -1.0 1.2 0.6 -1.0 -1.0 28.1 CORR h4 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR h5 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR ha -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR hc 0.2 0.7 -1.0 -1.0 1.1 0.5 -1.0 -1.0 28.1 # PARM h2 0 0 1.008 0 CORR h1 0.5 2.1 -1.0 -1.0 1.8 0.9 -1.0 -1.0 28.5 CORR h3 0.5 2.1 -1.0 -1.0 1.0 0.5 -1.0 -1.0 28.4 CORR h4 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR h5 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR ha -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR hc 0.4 1.6 -1.0 -1.0 0.8 0.4 -1.0 -1.0 28.3 # PARM h3 0 0 1.008 0 CORR h1 0.2 0.7 -1.0 -1.0 1.2 0.6 -1.0 -1.0 28.1 CORR h2 0.5 2.1 -1.0 -1.0 1.0 0.5 -1.0 -1.0 28.4 CORR h4 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR h5 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR ha -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR hc 0.3 1.2 -1.0 -1.0 1.3 0.6 -1.0 -1.0 28.2 # PARM h4 0 0 1.008 0 CORR h1 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR h2 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR h3 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR h5 0.5 2.1 -1.0 -1.0 2.9 1.4 -1.0 -1.0 28.6 CORR ha 0.3 1.5 -1.0 -1.0 1.7 0.9 -1.0 -1.0 28.3 CORR hc 0.3 1.2 -1.0 -1.0 1.8 0.9 -1.0 -1.0 28.3 # PARM h5 0 0 1.008 0 CORR h1 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR h2 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR h3 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR h4 0.5 2.1 -1.0 -1.0 2.9 1.4 -1.0 -1.0 28.6 CORR ha 0.4 1.9 -1.0 -1.0 3.1 1.5 -1.0 -1.0 28.6 CORR hc 0.4 1.8 -1.0 -1.0 2.2 1.1 -1.0 -1.0 28.5 # PARM f 0 0 19.00 0 CORR cl 24.0 21.0 -1.0 -1.0 2.1 8.5 -1.0 -1.0 36.2 CORR br 32.8 37.1 -1.0 -1.0 2.6 8.9 -1.0 -1.0 40.5 CORR i 44.6 52.2 -1.0 -1.0 3.5 20.4 -1.0 -1.0 46.0 # PARM cl 0 0 35.45 0 CORR f 24.0 21.0 -1.0 -1.0 2.1 8.5 -1.0 -1.0 36.2 CORR br 9.3 21.2 -1.0 -1.0 1.0 1.7 -1.0 -1.0 33.1 CORR i 21.2 36.5 -1.0 -1.0 1.7 11.1 -1.0 -1.0 38.5 # PARM br 0 0 79.90 0 CORR f 32.8 37.1 -1.0 -1.0 2.6 8.9 -1.0 -1.0 40.5 CORR cl 9.3 21.2 -1.0 -1.0 1.0 1.7 -1.0 -1.0 33.1 CORR i 12.0 19.0 -1.0 -1.0 2.1 10.9 -1.0 -1.0 34.1 # PARM i 0 0 126.9 0 CORR f 44.6 52.2 -1.0 -1.0 3.5 20.4 -1.0 -1.0 46.0 CORR cl 21.2 36.5 -1.0 -1.0 1.7 11.1 -1.0 -1.0 38.5 CORR br 12.0 19.0 -1.0 -1.0 2.1 10.9 -1.0 -1.0 34.1 # PARM c3 0 0 12.01 0 # PARM c2 1 0 12.01 0 CORR ca 3.4 15.4 3.8 3.4 3.4 2.3 74.2 -1.0 31.1 CORR cp 3.1 13.9 0.4 5.7 1.8 2.2 135.3 -1.0 40.7 CORR cq 3.1 13.9 0.4 5.7 1.8 2.2 135.3 -1.0 40.7 CORR cc 1.8 8.0 3.7 2.3 3.8 2.0 25.1 -1.0 21.3 CORR cd 1.8 8.0 3.7 2.3 3.8 2.0 25.1 -1.0 21.3 CORR ce 2.6 11.5 2.8 2.3 2.7 1.8 25.5 -1.0 21.9 CORR cf 2.6 11.5 2.8 2.3 2.7 1.8 25.5 -1.0 21.9 # PARM c1 0 0 12.01 0 CORR cg 5.1 22.7 0.4 0.5 0.1 0.8 0.1 -1.0 19.3 CORR ch 5.1 22.7 0.4 0.5 0.1 0.8 0.1 -1.0 19.3 # PARM c 1 0 12.01 0 CORR c2 4.9 21.9 4.3 2.9 2.9 2.3 96.7 -1.0 36.1 # PARM ca 1 0 12.01 0 CORR c2 3.4 15.4 3.8 3.4 3.4 2.3 74.2 -1.0 31.1 CORR cp 2.4 10.7 2.0 1.4 3.7 2.0 56.8 -1.0 26.9 CORR cq 2.4 10.7 2.0 1.4 3.7 2.0 56.8 -1.0 26.9 CORR cc 1.9 8.6 2.8 1.9 2.4 1.7 35.5 -1.0 22.9 CORR cd 1.9 8.6 2.8 1.9 2.4 1.7 35.5 -1.0 22.9 CORR ce 2.6 11.5 2.7 1.9 2.6 1.7 79.4 -1.0 30.8 CORR cf 2.6 11.5 2.7 1.9 2.6 1.7 79.4 -1.0 30.8 # PARM cc 1 0 12.01 1 CORR c2 1.8 8.0 3.7 2.3 3.8 2.0 25.1 -1.0 21.3 CORR ca 1.9 8.6 2.8 1.9 2.4 1.7 35.5 -1.0 22.9 CORR cp 1.7 7.9 3.3 2.7 4.2 2.1 -1.0 -1.0 28.0 CORR cq 1.7 7.9 3.3 2.7 4.2 2.1 -1.0 -1.0 28.0 CORR cd 1.1 5.1 1.3 1.0 1.4 0.8 0.1 -1.0 15.9 CORR ce 1.3 5.6 3.7 1.9 2.7 1.6 9.2 -1.0 18.0 CORR cf 2.5 11.2 3.8 2.2 3.0 1.9 9.2 -1.0 19.2 # PARM cd 1 0 12.01 2 CORR c2 1.8 8.0 3.7 2.3 3.8 2.0 25.1 -1.0 21.3 CORR ca 1.9 8.6 2.8 1.9 2.4 1.7 35.5 -1.0 22.9 CORR cp 1.7 7.9 3.3 2.7 4.2 2.1 -1.0 -1.0 28.0 CORR cq 1.7 7.9 3.3 2.7 4.2 2.1 -1.0 -1.0 28.0 CORR cc 1.1 5.1 1.3 1.0 1.4 0.8 0.1 -1.0 15.9 CORR ce 2.5 11.2 3.8 2.2 3.0 1.9 9.2 -1.0 19.2 CORR cf 1.3 5.6 3.7 1.9 2.7 1.6 9.2 -1.0 18.0 # PARM ce 1 0 12.01 1 CORR c2 2.6 11.5 2.8 2.3 2.7 1.8 25.5 -1.0 21.9 CORR ca 2.6 11.5 2.7 1.9 2.6 1.7 79.4 -1.0 30.8 CORR cp 3.9 17.5 0.6 5.0 5.4 4.0 -1.0 -1.0 30.1 CORR cq 3.9 17.5 0.6 5.0 5.4 4.0 -1.0 -1.0 30.1 CORR cc 1.3 5.6 3.7 1.9 2.7 1.6 9.2 -1.0 18.0 CORR cd 2.5 11.2 3.8 2.2 3.0 1.9 9.2 -1.0 19.2 CORR cf 1.5 6.5 1.4 0.9 1.0 0.7 37.2 -1.0 22.4 # PARM cf 1 0 12.01 2 CORR c2 2.6 11.5 2.8 2.3 2.7 1.8 25.5 -1.0 21.9 CORR ca 2.6 11.5 2.7 1.9 2.6 1.7 79.4 -1.0 30.8 CORR cp 3.9 17.5 0.6 5.0 5.4 4.0 -1.0 -1.0 30.1 CORR cq 3.9 17.5 0.6 5.0 5.4 4.0 -1.0 -1.0 30.1 CORR cc 2.5 11.2 3.8 2.2 3.0 1.9 9.2 -1.0 19.2 CORR cd 1.3 5.6 3.7 1.9 2.7 1.6 9.2 -1.0 18.0 CORR ce 1.5 6.5 1.4 0.9 1.0 0.7 37.2 -1.0 22.4 # PARM cg 0 0 12.01 1 CORR ch 2.9 12.6 0.1 0.1 0.1 0.1 0.1 -1.0 17.1 CORR c1 5.1 22.7 0.4 0.5 0.1 0.8 0.1 -1.0 19.3 # PARM ch 0 0 12.01 2 CORR c1 5.1 22.7 0.4 0.5 0.1 0.8 0.1 -1.0 19.3 CORR cg 2.9 12.6 0.1 0.1 0.1 0.1 0.1 -1.0 17.1 # PARM cp 1 0 12.01 1 CORR c2 3.1 13.9 0.4 5.7 1.8 2.2 135.3 -1.0 40.7 CORR ca 2.4 10.7 2.0 1.4 3.7 2.0 56.8 -1.0 26.9 CORR cq 1.7 7.6 0.1 0.1 3.6 1.6 0.1 -1.0 16.5 CORR cc 1.7 7.9 3.3 2.7 4.2 2.1 -1.0 -1.0 28.0 CORR cd 1.7 7.9 3.3 2.7 4.2 2.1 -1.0 -1.0 28.0 CORR ce 3.9 17.5 0.6 5.0 5.4 4.0 -1.0 -1.0 30.1 CORR cf 3.9 17.5 0.6 5.0 5.4 4.0 -1.0 -1.0 30.1 # PARM cq 1 0 12.01 2 CORR c2 3.1 13.9 0.4 5.7 1.8 2.2 135.3 -1.0 40.7 CORR ca 2.4 10.7 2.0 1.4 3.7 2.0 56.8 -1.0 26.9 CORR cp 1.7 7.6 0.1 0.1 3.6 1.6 0.1 -1.0 16.5 CORR cc 1.7 7.9 3.3 2.7 4.2 2.1 -1.0 -1.0 28.0 CORR cd 1.7 7.9 3.3 2.7 4.2 2.1 -1.0 -1.0 28.0 CORR ce 3.9 17.5 0.6 5.0 5.4 4.0 -1.0 -1.0 30.1 CORR cf 3.9 17.5 0.6 5.0 5.4 4.0 -1.0 -1.0 30.1 # PARM cu 1 1 12.01 0 CORR c2 1.4 6.1 16.7 9.7 56.6 30.3 0.1 -1.0 25.2 CORR ca 4.0 17.9 -1.0 -1.0 37.3 19.5 24.7 -1.0 29.5 CORR cp -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR cq -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR cc 2.0 8.9 -1.0 -1.0 36.0 19.1 9.2 -1.0 24.9 CORR cd 2.0 8.9 -1.0 -1.0 36.0 19.1 9.2 -1.0 24.9 CORR ce 1.6 7.2 -1.0 -1.0 -1.0 -1.0 0.1 -1.0 20.1 CORR cf 1.6 7.2 -1.0 -1.0 -1.0 -1.0 0.1 -1.0 20.1 # PARM cv 1 2 12.01 0 CORR c2 0.9 3.9 -1.0 -1.0 14.7 7.1 0.1 -1.0 19.6 CORR ca 0.8 3.5 -1.0 -1.0 -1.0 -1.0 24.7 -1.0 23.4 CORR cp -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR cq -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR cc 1.0 4.3 -1.0 -1.0 33.2 16.5 9.2 -1.0 23.6 CORR cd 1.0 4.3 -1.0 -1.0 33.2 16.5 9.2 -1.0 23.6 CORR ce 0.5 2.1 -1.0 -1.0 -1.0 -1.0 0.1 -1.0 19.0 CORR cf 0.5 2.1 -1.0 -1.0 -1.0 -1.0 0.1 -1.0 19.0 # PARM cx 0 1 12.01 0 CORR c3 1.3 5.8 10.5 4.6 10.4 5.6 0.1 -1.0 18.3 CORR cy 1.7 7.6 5.3 2.3 8.6 4.6 0.1 -1.0 17.8 # PARM cy 0 2 12.01 0 CORR c3 0.8 3.8 5.1 3.1 9.9 5.1 0.1 -1.0 17.2 CORR cx 1.7 7.6 5.3 2.3 8.6 4.6 0.1 -1.0 17.8 # PARM cz 1 0 12.01 0 CORR c2 1.2 5.3 6.4 2.0 3.4 1.0 -1.0 -1.0 27.5 CORR ca 1.8 8.3 0.7 2.2 5.3 1.5 -1.0 -1.0 27.8 CORR cp -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR cq -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR cc 1.8 8.3 3.6 0.1 4.3 1.0 -1.0 -1.0 27.8 CORR cd 1.8 8.3 3.6 0.1 4.3 1.0 -1.0 -1.0 27.8 CORR ce 3.7 16.8 -1.0 -1.0 4.7 0.9 -1.0 -1.0 31.7 CORR cf 3.7 16.8 -1.0 -1.0 4.7 0.9 -1.0 -1.0 31.7 # PARM n 1 0 14.01 0 CORR na 1.4 6.3 4.4 2.6 2.8 1.6 39.4 -1.0 23.3 CORR nh 1.7 7.4 4.1 2.0 2.1 1.4 42.7 -1.0 23.9 # PARM n1 0 0 14.01 0 # PARM n2 0 0 14.01 0 CORR nb 2.4 10.7 3.2 4.6 3.5 2.3 0.1 -1.0 17.8 CORR nc 3.0 13.5 3.2 0.9 3.4 2.1 22.0 -1.0 21.7 CORR nd 3.0 13.5 3.2 0.9 3.4 2.1 22.0 -1.0 21.7 CORR ne 4.1 18.0 2.1 4.0 3.1 2.6 11.1 -1.0 21.0 CORR nf 4.1 18.0 2.1 4.0 3.1 2.6 11.1 -1.0 21.0 # PARM n3 0 0 14.01 0 CORR n4 5.8 25.5 4.3 4.5 3.4 4.5 23.1 -1.0 24.9 CORR na 2.0 9.1 6.1 3.4 3.8 2.6 73.6 -1.0 30.0 CORR nh 1.4 6.3 3.0 1.8 1.8 1.2 52.3 -1.0 25.2 # PARM n4 0 0 14.01 0 CORR n3 5.8 25.5 4.3 4.5 3.4 4.5 23.1 -1.0 24.9 CORR na 6.1 26.7 7.0 4.0 3.4 3.2 89.6 -1.0 36.4 CORR nh 6.0 26.3 4.9 4.4 3.9 3.2 74.9 -1.0 33.7 # PARM na 1 0 14.01 0 CORR n3 2.0 9.1 6.1 3.4 3.8 2.6 73.6 -1.0 30.0 CORR n4 6.1 26.7 7.0 4.0 3.4 3.2 89.6 -1.0 36.4 CORR nh 1.7 7.7 5.3 3.2 3.9 2.2 47.4 -1.0 25.2 # PARM nb 0 0 14.01 0 CORR n2 2.4 10.7 3.2 4.6 3.5 2.3 0.1 -1.0 17.8 CORR nc 0.4 2.0 5.2 3.1 3.4 1.6 0.1 -1.0 16.0 CORR nd 0.4 2.0 5.2 3.1 3.4 1.6 0.1 -1.0 16.0 CORR ne 6.4 28.7 -1.0 -1.0 2.3 2.1 0.1 -1.0 23.2 CORR nf 6.4 28.7 -1.0 -1.0 2.3 2.1 0.1 -1.0 23.2 # PARM nc 0 0 14.01 1 CORR n2 3.0 13.5 3.2 0.9 3.4 2.1 22.0 -1.0 21.7 CORR nb 0.4 2.0 5.2 3.1 3.4 1.6 0.1 -1.0 16.0 CORR nd 1.0 4.7 1.8 0.7 1.8 1.1 0.1 -1.0 15.9 CORR ne 3.7 16.4 -1.0 -1.0 4.2 2.6 43.2 -1.0 28.1 CORR nf 4.4 19.8 -1.0 -1.0 2.2 2.0 43.2 -1.0 28.6 # PARM nd 0 0 14.01 2 CORR n2 3.0 13.5 3.2 0.9 3.4 2.1 22.0 -1.0 21.7 CORR nb 0.4 2.0 5.2 3.1 3.4 1.6 0.1 -1.0 16.0 CORR nc 1.0 4.7 1.8 0.7 1.8 1.1 0.1 -1.0 15.9 CORR ne 4.4 19.8 -1.0 -1.0 2.2 2.0 43.2 -1.0 28.6 CORR nf 3.7 16.4 -1.0 -1.0 4.2 2.6 43.2 -1.0 28.1 # PARM ne 0 0 14.01 1 CORR n2 4.1 18.0 2.1 4.0 3.1 2.6 11.1 -1.0 21.0 CORR nb 6.4 28.7 -1.0 -1.0 2.3 2.1 0.1 -1.0 23.2 CORR nc 3.7 16.4 -1.0 -1.0 4.2 2.6 43.2 -1.0 28.1 CORR nd 4.4 19.8 -1.0 -1.0 2.2 2.0 43.2 -1.0 28.6 CORR nf 3.3 14.3 0.1 0.1 0.4 0.4 5.2 -1.0 18.4 # PARM nf 0 0 14.01 2 CORR n2 4.1 18.0 2.1 4.0 3.1 2.6 11.1 -1.0 21.0 CORR nb 6.4 28.7 -1.0 -1.0 2.3 2.1 0.1 -1.0 23.2 CORR nc 4.4 19.8 -1.0 -1.0 2.2 2.0 43.2 -1.0 28.6 CORR nd 3.7 16.4 -1.0 -1.0 4.2 2.6 43.2 -1.0 28.1 CORR ne 3.3 14.3 0.1 0.1 0.4 0.4 5.2 -1.0 18.4 # PARM nh 1 0 14.01 0 CORR n3 1.4 6.3 3.0 1.8 1.8 1.2 52.3 -1.0 25.2 CORR n4 6.0 26.3 4.9 4.4 3.9 3.2 74.9 -1.0 33.7 CORR na 1.7 7.7 5.3 3.2 3.9 2.2 47.4 -1.0 25.2 # PARM no 0 0 14.01 0 CORR n3 6.1 26.8 0.7 7.1 2.8 4.1 119.9 -1.0 41.2 CORR n4 3.8 16.7 4.4 5.2 2.9 2.4 107.4 -1.0 37.1 CORR na 5.6 24.4 4.4 3.0 3.7 3.5 65.7 -1.0 31.7 CORR nh 6.1 26.8 3.1 3.9 2.7 3.3 73.9 -1.0 33.4 # PARM o 0 0 16.00 0 # PARM oh 0 0 16.00 0 CORR o 7.9 35.2 -1.0 -1.0 7.5 2.8 -1.0 -1.0 35.9 CORR os 1.4 6.3 -1.0 -1.0 2.6 1.4 26.1 0.1 8.5 CORR ow -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 PARM os 0 0 16.00 0 CORR o 8.7 38.5 -1.0 -1.0 8.1 3.0 -1.0 -1.0 36.6 CORR oh 1.4 6.3 -1.0 -1.0 2.6 1.4 26.1 0.1 8.5 CORR ow -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 # PARM ow 0 0 16.00 0 CORR o -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR oh -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 CORR os -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 37.8 # PARM s 0 0 32.06 0 CORR s2 6.1 27.1 -1.0 -1.0 3.5 6.7 -1.0 -1.0 34.2 # PARM s2 0 0 32.06 0 CORR s 6.1 27.1 -1.0 -1.0 3.5 6.7 -1.0 -1.0 34.2 CORR s4 7.5 33.4 6.1 4.2 4.0 6.9 0.1 -1.0 23.1 CORR s6 6.1 27.3 5.0 4.8 2.0 3.9 0.1 -1.0 21.4 CORR sx 5.0 22.5 -1.0 -1.0 -1.0 -1.0 0.1 -1.0 23.2 CORR sy 6.4 28.7 3.4 4.2 -1.0 -1.0 0.1 -1.0 22.6 # PARM s4 0 0 32.06 0 CORR s 5.3 23.2 -1.0 -1.0 5.1 3.4 -1.0 -1.0 33.3 CORR s2 7.5 33.4 6.1 4.2 4.0 6.9 0.1 -1.0 23.1 CORR s6 2.8 12.5 5.6 3.1 2.3 2.1 8.8 -1.0 19.6 CORR sx 0.7 3.3 0.8 1.3 0.2 0.7 0.1 -1.0 15.5 CORR sy 1.8 8.2 5.1 3.0 1.8 1.8 66.3 -1.0 28.2 # PARM s6 0 0 32.06 0 CORR s 6.2 26.9 -1.0 -1.0 4.2 4.3 -1.0 -1.0 34.1 CORR s2 6.1 27.3 5.0 4.8 2.0 3.9 0.1 -1.0 21.4 CORR s4 2.8 12.5 5.6 3.1 2.3 2.1 8.8 -1.0 19.6 CORR sx 2.3 10.2 4.9 2.9 0.8 1.5 24.4 -1.0 21.5 CORR sy 1.8 8.3 1.6 2.0 0.7 1.2 21.5 -1.0 20.2 # PARM ss 0 0 32.06 0 CORR sh 1.0 4.4 -1.0 -1.0 1.8 1.3 45.1 -1.0 25.7 # PARM sh 0 0 32.06 0 CORR ss 1.0 4.4 -1.0 -1.0 1.8 1.3 45.1 -1.0 25.7 # PARM sx 0 0 32.06 0 CORR s 11.6 49.8 -1.0 -1.0 13.5 8.5 -1.0 -1.0 39.9 CORR s2 5.0 22.5 -1.0 -1.0 -1.0 -1.0 0.1 -1.0 23.2 CORR s4 0.7 3.3 0.8 1.3 0.2 0.7 0.1 -1.0 15.5 CORR s6 2.3 10.2 4.9 2.9 0.8 1.5 24.4 -1.0 21.5 CORR sy 2.1 9.5 7.4 3.1 2.2 1.9 56.9 -1.0 27.1 # PARM sy 0 0 32.06 0 CORR s 8.9 38.4 -1.0 -1.0 10.0 7.3 -1.0 -1.0 37.1 CORR s2 6.4 28.7 3.4 4.2 -1.0 -1.0 0.1 -1.0 22.6 CORR s4 1.8 8.2 5.1 3.0 1.8 1.8 66.3 -1.0 28.2 CORR s6 1.8 8.3 1.6 2.0 0.7 1.2 21.5 -1.0 20.2 CORR sx 2.1 9.5 7.4 3.1 2.2 1.9 56.9 -1.0 27.1 # PARM p2 0 0 30.97 0 CORR pb 3.6 16.1 -1.0 -1.0 -1.0 -1.0 0.1 -1.0 21.9 CORR pc 0.7 3.1 -1.0 -1.0 0.8 1.0 40.4 -1.0 24.5 CORR pd 0.7 3.1 -1.0 -1.0 0.8 1.0 40.4 -1.0 24.5 CORR pe 3.9 17.3 4.3 3.8 5.8 5.0 16.1 -1.0 22.3 CORR pf 3.9 17.3 4.3 3.8 5.8 5.0 16.1 -1.0 22.3 # PARM p3 0 0 30.97 0 CORR p4 2.8 12.3 5.3 3.3 2.0 3.4 87.5 -1.0 32.8 CORR p5 2.6 11.5 4.5 2.7 2.2 3.0 97.8 -1.0 34.2 CORR px 0.8 3.6 3.4 1.4 0.7 0.6 79.0 -1.0 28.9 CORR py 2.2 9.7 6.7 3.0 8.8 5.2 71.3 -1.0 30.4 # PARM p4 0 0 30.97 0 CORR p3 2.8 12.3 5.3 3.3 2.0 3.4 87.5 -1.0 32.8 CORR p5 3.8 17.1 3.4 3.9 2.5 4.4 29.7 -1.0 24.1 CORR px 0.7 3.3 3.2 1.1 0.2 0.7 0.1 -1.0 15.6 CORR py 1.9 8.5 4.0 1.9 3.1 2.9 86.1 -1.0 31.6 # PARM p5 0 0 30.97 0 CORR p3 2.6 11.5 4.5 2.7 2.2 3.0 97.8 -1.0 34.2 CORR p4 3.8 17.1 3.4 3.9 2.5 4.4 29.7 -1.0 24.1 CORR px 1.2 5.4 4.2 1.8 1.2 0.8 52.7 -1.0 25.0 CORR py 1.0 4.7 2.1 1.5 2.7 2.2 19.4 -1.0 19.4 # PARM pb 0 0 30.97 0 CORR p2 3.6 16.1 -1.0 -1.0 -1.0 -1.0 0.1 -1.0 21.9 CORR pc -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 0.1 -1.0 26.9 CORR pd -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 0.1 -1.0 26.9 CORR pe -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 0.1 -1.0 26.9 CORR pf -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 0.1 -1.0 26.9 # PARM pc 0 0 30.97 1 CORR p2 0.7 3.1 -1.0 -1.0 0.8 1.0 40.4 -1.0 24.5 CORR pb -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 0.1 -1.0 26.9 CORR pd 0.1 0.1 -1.0 -1.0 0.1 0.1 0.1 -1.0 17.1 CORR pe -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 65.0 -1.0 37.7 CORR pf -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 65.0 -1.0 37.7 # PARM pd 0 0 30.97 2 CORR p2 0.7 3.1 -1.0 -1.0 0.8 1.0 40.4 -1.0 24.5 CORR pb -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 0.1 -1.0 26.9 CORR pc 0.1 0.1 -1.0 -1.0 0.1 0.1 0.1 -1.0 17.1 CORR pe -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 65.0 -1.0 37.7 CORR pf -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 65.0 -1.0 37.7 # PARM pe 0 0 30.97 1 CORR p2 3.9 17.3 4.3 3.8 5.8 5.0 16.1 -1.0 22.3 CORR pb -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 0.1 -1.0 26.9 CORR pc -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 65.0 -1.0 37.7 CORR pd -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 65.0 -1.0 37.7 CORR pf 0.3 1.2 0.1 0.1 0.1 0.1 11.5 -1.0 16.7 # PARM pf 0 0 30.97 2 CORR p2 3.9 17.3 4.3 3.8 5.8 5.0 16.1 -1.0 22.3 CORR pb -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 0.1 -1.0 26.9 CORR pc -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 65.0 -1.0 37.7 CORR pd -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 65.0 -1.0 37.7 CORR pe 0.3 1.2 0.1 0.1 0.1 0.1 11.5 -1.0 16.7 # PARM px 0 0 30.97 0 CORR p3 0.8 3.6 3.4 1.4 0.7 0.6 79.0 -1.0 28.9 CORR p4 0.7 3.3 3.2 1.1 0.2 0.7 0.1 -1.0 15.6 CORR p5 1.2 5.4 4.2 1.8 1.2 0.8 52.7 -1.0 25.0 CORR pf 2.3 10.1 7.8 6.0 5.3 3.9 58.1 -1.0 28.2 CORR py 1.9 8.5 3.4 2.1 3.2 2.9 76.0 -1.0 29.9 # PARM py 0 0 30.97 0 CORR p3 2.2 9.7 6.7 3.0 8.8 5.2 71.3 -1.0 30.4 CORR p4 1.9 8.5 4.0 1.9 3.1 2.9 86.1 -1.0 31.6 CORR p5 1.0 4.7 2.1 1.5 2.7 2.2 19.4 -1.0 19.4 CORR px 1.9 8.5 3.4 2.1 3.2 2.9 76.0 -1.0 29.9 # PARM ns 1 0 14.01 0 EQUA n # PARM nt 1 0 14.01 0 EQUA n # PARM n7 0 0 14.01 0 EQUA n3 # PARM n8 0 0 14.01 0 EQUA n3 # PARM n9 0 0 14.01 0 EQUA n3 # PARM nx 0 0 14.01 0 EQUA n4 # PARM ny 0 0 14.01 0 EQUA n4 # PARM nz 0 0 14.01 0 EQUA n4 # PARM nu 1 0 14.01 0 EQUA nh # PARM nv 1 0 14.01 0 EQUA nh # PARM o2 0 0 16.00 0 EQUA o ------------------------------------------------------------------------- # weights of calculating penalty scores WEIGHT_BL 0.5 /*penalty weight for bond length*/ WEIGHT_BLF 0.5 /*penalty weight for bond stretching force constant*/ WEIGHT_BA 0.5 /*penalty weight for bond angle*/ WEIGHT_BAF 0.5 /*penalty weight for bond angle bending*/ WEIGHT_X 10 /*penalty for X in 1,2 and 4 th positions of improper parameters*/ WEIGHT_X3 30 /*penalty for X in the third place of improper parameters*/ WEIGHT_BA_CTR 10 /*additional penalty weight of replacing angle central atom: penalty of the center atom = (WT_BA or WT_BAF) * WT_ANGLE_CENTER*/ WEIGHT_TOR_CTR 10 /*additional penalty weight of replacing torsional central atoms: penalty of the center atoms = WT_TOR * WT_TOR_CENTER*/ WEIGHT_IMPROPER 10 /*additional penalty weight of replacing the third atom type of an improper dihedral ange */ WEIGHT_GROUP 100 /*additional penalty of different atom type groups: total weight = total weight + WT_GROUP*/ WEIGHT_EQUTYPE 20 /*additional penalty of replacing equivalent atom types*/ ------------------------------------------------------------------------- # default values # when the TOR_CTR parameter is -1 (missing), a default value is then estimated by # DEFAULT_TOR_CTR * DEFAULT_FRACT1 + GENERAL_SIMILARITY * DEFAULT_FRACT2 # GENERAL_SIMILARITY is listed in the 11th colume of CORR lines DEFAULT_BL 20 /*default penalty for bond length*/ DEFAULT_BLF 30 /*default penalty for bond stretching force constnat*/ DEFAULT_BA 4 /*default penalty for bond angle*/ DEFAULT_BAF 15 /*default penalty for bond angle bending force constant*/ DEFAULT_BA_CTR 13 /*default penalty for center atom of bond angle*/ DEFAULT_BAF_CTR 17 /*default penalty for center atom of bond angle*/ DEFAULT_TOR 87 /*default penalty for outside atoms of torsional angle*/ DEFAULT_TOR_CTR 65 /*default penalty for center atoms of torsional angle*/ DEFAULT_FRACT1 0.5 /*contribution of the default value*/ DEFAULT_FRACT2 0.5 /*contribution of the default value*/ THRESHOLD_BA 20 /*threshold of bond angle score triggling emprical bond angle calculations*/ -------------------------------------------------------------------------