6-> [THR A 6] PSI 60.0 180.0 0.3 0.0 0.0 0.0 0.0 0.0 0.0 0.9 0.0 0.7 0.0 0.0 2.5 0.3 2.4 3.3 0.0 0.0 0.0 0.0 - 8 [ 0.0 .. 3.3] 8-> [LYS A 7] CHI2 150.0 170.0 2.7 2.6 2.8 2.9 2.4 1.2 3.2 3.7 1.8 2.1 0.5 2.2 3.2 2.3 4.8 5.3 0.7 0.5 0.0 0.0 - 18 [ 0.0 .. 5.3] 9-> [LYS A 7] CHI3 40.0 60.0 0.4 2.9 0.0 0.0 1.7 0.3 0.0 0.7 0.0 0.0 0.0 0.0 0.8 0.0 4.7 4.7 0.3 0.0 0.0 0.0 - 9 [ 0.0 .. 4.7] 10-> [LYS A 17] UNKN 60.0 160.0 26.9 24.1 26.8 20.1 28.3 24.4 30.7 30.6 27.1 34.6 30.0 25.6 30.1 25.1 28.7 29.1 26.3 31.6 28.7 23.5 - 20 [ 20.1 .. 34.6] 11-> [LYS A 17] UNKN 70.0 170.0 70.0 70.0 70.0 70.0 70.0 70.0 70.0 70.0 70.0 70.0 70.0 70.0 70.0 70.0 70.0 70.0 70.0 70.0 70.0 70.0 - 20 [ 70.0 .. 70.0] 12-> [ASP A 31] CHI1 -110.0 -50.0 5.5 0.0 0.0 3.0 2.4 6.9 0.8 0.0 2.9 4.3 0.6 2.4 0.0 0.0 5.2 5.0 2.0 1.3 0.0 4.7 - 14 [ 0.0 .. 6.9] 13-> [ASP A 31] CHI2 135.0 -165.0 116.0 117.4 118.7 125.5 117.8 115.4 149.3 117.6 142.2 118.0 118.9 129.9 134.8 122.4 115.1 120.0 132.7 148.9 116.7 114.9 - 20 [ 114.9 .. 149.3] 14-> [ARG A 10] PHI 180.0 -70.0 0.0 0.0 0.0 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 - 1 [ 0.0 .. 1.0] 20-> [LEU A 13] PHI 180.0 -70.0 0.0 0.0 0.0 1.5 0.0 0.0 0.0 0.0 0.5 0.0 0.0 1.5 0.0 0.0 0.0 0.0 0.7 0.0 0.0 0.0 - 4 [ 0.0 .. 1.5] 28-> [ASP A 21] PHI 180.0 -70.0 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 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.1] 43-> [ILE A 39] PSI 60.0 180.0 0.2 0.9 0.3 1.0 0.9 0.0 0.6 1.1 1.0 1.2 0.3 0.0 0.1 0.0 0.0 0.0 2.1 1.8 0.0 0.0 - 14 [ 0.0 .. 2.1] ---- 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 : 2 2 1 3 3 2 1 3 3 4 0 3 2 1 4 4 2 2 0 1 2.15 > 10. degrees : 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3.00 Total : 8 7 5 7 8 6 7 8 8 8 6 7 7 7 8 8 8 6 4 4 6.85 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 : 116.0 117.4 118.7 125.5 117.8 115.4 149.3 117.6 142.2 118.0 118.9 129.9 134.8 122.4 115.1 120.0 132.7 148.9 116.7 114.9 149.28 Max PHI Viol : 0.0 0.0 0.0 1.5 0.0 0.0 0.0 1.1 0.5 1.0 0.0 1.5 0.0 0.2 0.0 0.7 0.7 0.0 0.0 0.0 1.53 Max PSI Viol : 0.3 0.9 0.3 1.0 0.9 0.0 0.6 1.1 1.0 1.2 0.3 0.0 2.5 0.3 2.4 3.3 2.1 1.8 0.0 0.0 3.31 Max CHI1 Viol : 5.5 0.1 0.0 3.0 2.4 6.9 0.8 0.0 2.9 4.3 0.6 2.4 0.0 0.0 5.2 5.0 2.0 1.3 0.7 4.7 6.89 Max CHI2 Viol : 116.0 117.4 118.7 125.5 117.8 115.4 149.3 117.6 142.2 118.0 118.9 129.9 134.8 122.4 115.1 120.0 132.7 148.9 116.7 114.9 149.28 Average Violation : 5.2 5.1 5.1 5.2 5.2 5.1 5.9 5.2 5.7 5.4 5.1 5.4 5.6 5.1 5.4 5.5 5.5 5.9 5.0 5.0 5.330 Avge PHI Viol : 0.000 0.000 0.000 0.287 0.000 0.000 0.000 0.245 0.228 0.241 0.000 0.291 0.000 0.102 0.000 0.196 0.200 0.000 0.000 0.000 0.146 Avge PSI Viol : 0.174 0.227 0.138 0.235 0.229 0.000 0.179 0.333 0.239 0.318 0.126 0.044 0.383 0.138 0.363 0.429 0.342 0.313 0.000 0.000 0.247 Avge CHI1 Viol : 1.658 0.239 0.000 1.232 1.172 1.857 0.652 0.000 1.196 1.459 0.530 1.106 0.000 0.000 1.667 1.587 1.003 0.806 0.573 1.536 1.102 Avge CHI2 Viol : 7.704 7.746 7.795 8.014 7.754 7.638 8.732 7.787 8.485 7.750 7.726 8.127 8.307 7.897 7.740 7.915 8.166 8.645 7.637 7.580 7.964 RMS Violation : 21.083 21.178 21.414 22.142 21.351 20.949 25.583 21.396 24.525 21.593 21.531 22.844 23.618 21.845 21.041 21.695 23.228 25.557 21.203 20.842 22.279 RMS PHI Viol : 0.000 0.000 0.000 0.349 0.000 0.000 0.000 0.255 0.157 0.246 0.000 0.360 0.000 0.044 0.000 0.163 0.169 0.000 0.000 0.000 0.151 RMS PSI Viol : 0.094 0.218 0.081 0.235 0.223 0.000 0.130 0.334 0.242 0.315 0.068 0.008 0.592 0.080 0.559 0.781 0.497 0.415 0.000 0.000 0.328 RMS CHI1 Viol : 3.887 0.081 0.000 2.148 1.714 4.875 0.601 0.000 2.022 3.009 0.397 1.729 0.000 0.000 3.672 3.562 1.424 0.919 0.465 3.334 2.274 RMS CHI2 Viol : 82.040 83.049 83.968 88.781 83.346 81.632 105.584 83.196 100.554 83.460 84.070 91.866 95.325 86.578 81.425 84.953 93.815 105.316 82.486 81.252 88.474 Final --global-- Summary for 20 models, 43 ACOs/model, 860 ACOs total ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Summ. Viol. : 4584.07 Summ. Sq. Viol. : 426866.06 Max. Viol. : 149.283 Avg. Viol. : 5.33031 RMS Viol. : 22.27905 Std. Dev. Viol. : 21.63201