36-> [TYR A 24] PSI -55.0 -35.0 1.3 0.0 0.0 0.1 0.2 2.5 0.5 0.0 0.0 0.0 0.3 0.4 0.5 0.3 0.0 0.0 0.0 0.0 0.0 0.0 - 9 [ 0.0 .. 2.5] 38-> [GLN A 25] PSI -53.0 -27.0 0.0 0.0 0.0 0.3 0.0 0.0 2.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.3 0.0 - 4 [ 0.0 .. 2.2] 48-> [GLU A 46] PSI -59.0 -31.0 0.0 0.7 0.0 0.0 0.9 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 - 4 [ 0.0 .. 2.3] 77-> [LYS A 63] PHI -81.0 -55.0 0.1 0.0 0.0 1.1 0.8 0.9 2.2 2.5 1.0 0.4 2.1 0.8 0.0 0.9 1.6 0.0 0.8 1.1 2.2 1.1 - 16 [ 0.0 .. 2.5] 78-> [LYS A 63] PSI -49.0 -21.0 0.0 0.0 0.0 0.4 0.0 0.0 0.9 0.0 1.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 1.4] 92-> [LYS A 79] PSI -53.0 -29.0 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 0.1 0.0 0.0 0.4 1.1 0.0 - 4 [ 0.0 .. 1.3] 93-> [ASP A 80] PHI -77.0 -51.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.3 0.0 0.0 0.0 0.0 0.2 0.1 1.2 0.0 0.5 0.0 1.0 0.0 - 6 [ 0.0 .. 1.2] 104-> [LEU A 85] PSI -53.0 -29.0 0.2 0.0 0.0 0.0 0.0 0.0 1.1 0.0 0.4 0.0 0.0 0.0 0.3 0.0 0.0 0.3 0.0 0.0 0.0 0.0 - 5 [ 0.0 .. 1.1] 144-> [ALA A 112] PSI -49.0 -29.0 0.0 0.0 0.0 0.0 0.3 0.0 0.4 0.0 0.0 0.0 0.4 0.0 0.0 0.0 0.1 1.7 0.0 0.0 0.0 0.0 - 6 [ 0.0 .. 1.7] 150-> [ASP A 115] PSI -51.0 -31.0 0.8 0.0 0.0 0.0 0.0 0.0 0.2 1.9 0.0 0.0 0.0 0.0 1.3 0.2 0.0 0.0 0.0 0.0 0.0 0.0 - 5 [ 0.0 .. 1.9] 152-> [GLU A 116] PSI -53.0 -27.0 0.2 0.0 0.0 0.4 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 - 3 [ 0.0 .. 1.0] ---- 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 : 1 0 0 1 0 1 4 2 3 0 1 0 1 0 2 1 0 1 3 1 1.10 > 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 : 12 5 4 12 10 7 12 8 8 5 5 4 8 8 11 5 9 10 10 3 7.80 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 : 1.3 0.9 0.5 1.1 0.9 2.5 2.3 2.5 1.4 0.7 2.1 0.8 1.3 0.9 1.6 1.7 0.8 1.1 2.2 1.1 2.47 Max PHI Viol : 0.5 0.1 0.4 1.1 0.8 0.9 2.2 2.5 1.0 0.7 2.1 0.8 0.5 0.9 1.6 0.4 0.8 1.1 2.2 1.1 2.47 Max PSI Viol : 1.3 0.9 0.5 0.4 0.9 2.5 2.3 1.9 1.4 0.2 0.9 0.6 1.3 0.3 0.2 1.7 0.4 1.0 1.1 0.0 2.45 Average Violation : 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 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.024 Avge PHI Viol : 0.101 0.047 0.074 0.157 0.142 0.124 0.158 0.207 0.124 0.117 0.153 0.121 0.108 0.158 0.223 0.068 0.161 0.160 0.219 0.138 0.145 Avge PSI Viol : 0.213 0.148 0.089 0.154 0.183 0.214 0.318 0.207 0.225 0.054 0.148 0.109 0.200 0.097 0.098 0.180 0.090 0.144 0.174 0.015 0.167 RMS Violation : 0.143 0.088 0.054 0.115 0.132 0.213 0.322 0.258 0.185 0.062 0.179 0.092 0.135 0.102 0.170 0.139 0.094 0.127 0.217 0.095 0.160 RMS PHI Viol : 0.056 0.016 0.047 0.137 0.110 0.103 0.230 0.277 0.111 0.082 0.223 0.101 0.068 0.135 0.233 0.044 0.120 0.135 0.262 0.132 0.151 RMS PSI Viol : 0.198 0.126 0.061 0.086 0.153 0.288 0.398 0.235 0.241 0.027 0.113 0.080 0.182 0.046 0.040 0.195 0.053 0.118 0.154 0.002 0.170 Final --global-- Summary for 20 models, 175 ACOs/model, 3500 ACOs total ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Summ. Viol. : 85.52 Summ. Sq. Viol. : 89.99 Max. Viol. : 2.475 Avg. Viol. : 0.02443 RMS Viol. : 0.16034 Std. Dev. Viol. : 0.15847