2-> [TYR A 14] PSI 83.3 170.9 0.0 1.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.1] 6-> [MET A 16] PSI 45.6 -174.4 0.0 0.0 0.0 0.0 0.0 0.0 1.7 0.0 0.0 0.0 0.0 0.0 0.0 0.1 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.7] 40-> [GLN A 35] PSI -44.0 -4.0 0.9 0.0 0.0 0.0 1.0 0.9 0.0 0.0 0.0 0.0 0.0 0.0 0.4 1.3 0.0 0.0 0.0 0.6 0.4 0.0 - 8 [ 0.0 .. 1.3] 41-> [ILE A 36] PHI -89.7 -42.3 0.0 0.0 0.0 2.0 0.0 0.0 0.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.7 0.0 2.8 0.0 0.0 0.0 - 4 [ 0.0 .. 2.8] 100-> [TYR A 76] PSI -63.9 -23.9 0.0 0.0 0.0 0.0 0.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.6 3.9 0.4 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 3.9] 102-> [ARG A 77] PSI -64.2 -24.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.1 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.1] 108-> [SER A 87] PSI -56.9 -16.9 0.0 0.0 0.0 2.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 2.3] 124-> [ARG A 95] PSI -57.3 -17.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.4 0.0 - 2 [ 0.0 .. 2.4] 130-> [LEU A 98] PSI -45.4 34.6 0.0 0.0 0.0 1.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.9] 171-> [VAL A 128] PHI -84.4 -44.4 0.0 0.4 0.0 0.0 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.0] 172-> [VAL A 128] PSI -61.7 -21.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.2 0.0 - 1 [ 0.0 .. 1.2] 175-> [GLN A 131] PHI -79.6 -39.6 0.0 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.0] 183-> [ASP A 135] PHI -82.4 -42.4 0.0 1.6 0.6 0.5 1.5 0.0 0.0 0.0 0.0 2.3 0.6 0.0 0.8 0.4 0.5 0.0 0.0 0.0 0.0 0.0 - 9 [ 0.0 .. 2.3] 184-> [ASP A 135] PSI -61.6 -21.6 0.0 0.7 0.0 0.0 1.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.2] 188-> [PHE A 137] PSI -40.7 37.5 0.0 0.8 1.0 0.0 1.2 0.0 1.7 0.1 0.3 0.9 0.0 0.0 0.0 0.6 0.2 0.0 0.0 0.0 0.8 0.6 - 11 [ 0.0 .. 1.7] 190-> [GLU A 139] PSI -67.7 3.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.3 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.3] 193-> [THR A 141] PHI -96.3 -45.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.3 0.4 0.0 0.8 0.0 0.0 - 3 [ 0.0 .. 1.3] ---- ACOSummary Of Residual ACO Constraint Violations ---- Mod 1 Mod 2 Mod 3 Mod 4 Mod 5 Mod 6 Mod 7 Mod 8 Mod 9 Mod 10 Mod 11 Mod 12 Mod 13 Mod 14 Mod 15 Mod 16 Mod 17 Mod 18 Mod 19 Mod 20 Averages ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~~~~~~ 1 - 10. degrees : 0 2 1 3 4 1 2 0 1 1 1 0 0 2 3 1 1 0 2 0 1.25 > 10. degrees : 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00 Total : 5 7 3 7 11 5 8 7 6 6 5 4 4 7 8 5 5 4 6 2 5.75 Minimum Violation : 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.00 Maximum Violation : 0.9 1.6 1.0 2.3 1.5 1.0 1.7 0.5 1.0 2.3 1.3 0.5 0.8 1.3 3.9 1.3 2.8 0.8 2.4 0.6 3.89 Max PHI Viol : 0.5 1.6 1.0 2.0 1.5 1.0 0.8 0.5 1.0 2.3 0.6 0.5 0.8 0.4 1.7 0.4 2.8 0.8 0.5 0.5 2.83 Max PSI Viol : 0.9 1.1 1.0 2.3 1.2 0.9 1.7 0.4 0.7 0.9 1.3 0.0 0.5 1.3 3.9 1.3 0.4 0.6 2.4 0.6 3.89 Average Violation : 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.020 Avge PHI Viol : 0.076 0.141 0.129 0.188 0.147 0.128 0.166 0.100 0.121 0.187 0.107 0.099 0.091 0.063 0.196 0.061 0.190 0.117 0.090 0.075 0.131 Avge PSI Viol : 0.157 0.186 0.103 0.211 0.221 0.126 0.197 0.102 0.108 0.108 0.116 0.010 0.117 0.205 0.221 0.170 0.066 0.089 0.219 0.075 0.152 RMS Violation : 0.107 0.164 0.113 0.267 0.190 0.111 0.197 0.062 0.096 0.184 0.106 0.044 0.080 0.144 0.322 0.120 0.208 0.083 0.202 0.055 0.159 RMS PHI Viol : 0.053 0.164 0.120 0.220 0.154 0.119 0.131 0.070 0.111 0.244 0.069 0.062 0.081 0.040 0.219 0.037 0.291 0.099 0.060 0.055 0.140 RMS PSI Viol : 0.142 0.163 0.106 0.307 0.221 0.102 0.246 0.054 0.078 0.089 0.133 0.001 0.079 0.200 0.399 0.165 0.039 0.064 0.279 0.056 0.177 Final --global-- Summary for 20 models, 196 ACOs/model, 3920 ACOs total ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Summ. Viol. : 78.97 Summ. Sq. Viol. : 99.66 Max. Viol. : 3.889 Avg. Viol. : 0.02014 RMS Viol. : 0.15945 Std. Dev. Viol. : 0.15817