5-> [ALA A 10] PHI -148.0 -88.0 0.0 0.6 0.0 1.7 3.0 1.2 0.0 0.0 0.0 0.0 0.0 0.0 0.5 0.0 0.0 0.0 1.4 1.0 0.7 2.3 - 9 [ 0.0 .. 3.0] 12-> [SER A 13] PSI 128.0 168.0 0.0 0.0 0.0 0.0 0.0 0.0 6.2 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 [ 0.0 .. 6.2] 15-> [LYS A 17] PHI -146.0 -74.0 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 14.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 14.0] 16-> [LYS A 17] PSI 127.0 159.0 2.9 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 0.0 0.0 0.0 - 1 [ 0.0 .. 2.9] 22-> [ARG A 20] PSI 125.0 153.0 0.0 5.1 0.0 0.0 0.0 5.1 0.0 0.0 8.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5.0 0.0 7.0 0.0 - 5 [ 0.0 .. 8.4] 24-> [GLU A 21] PSI 114.0 154.0 2.3 4.0 2.0 1.7 0.0 3.9 0.0 0.0 0.0 3.1 4.0 0.0 1.8 6.0 1.9 0.7 4.0 3.3 0.0 4.1 - 14 [ 0.0 .. 6.0] 27-> [ASN A 30] PHI -151.0 -119.0 17.2 19.5 0.0 0.0 18.9 12.0 2.8 15.1 9.0 13.4 10.4 8.9 0.5 17.6 14.8 21.0 14.1 10.9 10.3 3.3 - 18 [ 0.0 .. 21.0] 28-> [ASN A 30] PSI 114.0 150.0 7.2 8.2 3.2 0.0 0.0 0.0 0.0 8.9 0.0 0.0 0.0 0.0 7.8 9.0 9.0 0.0 0.0 9.0 3.8 0.0 - 9 [ 0.0 .. 9.0] 29-> [GLU A 31] PHI -166.0 -114.0 12.3 10.9 0.0 0.0 0.0 0.0 0.0 11.6 0.0 0.0 0.0 0.0 13.9 9.5 12.2 0.0 0.0 12.4 0.0 0.0 - 7 [ 0.0 .. 13.9] 40-> [LYS A 36] PSI 98.0 150.0 6.4 2.9 5.4 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 - 3 [ 0.0 .. 6.4] 42-> [ASN A 43] PSI 111.0 175.0 0.0 0.0 0.0 5.2 3.0 0.0 0.0 2.1 6.7 0.0 1.3 0.0 0.0 4.5 0.0 0.0 0.0 6.1 0.1 0.0 - 9 [ 0.0 .. 6.7] 50-> [VAL A 47] PSI 108.0 148.0 15.4 11.8 0.9 0.8 0.0 0.0 0.0 10.4 0.0 0.0 0.0 0.0 2.8 4.0 7.8 0.0 0.0 12.5 0.0 0.0 - 9 [ 0.0 .. 15.4] 51-> [ASP A 48] PHI -154.0 -110.0 27.0 23.9 0.0 0.0 0.0 0.0 0.0 17.8 0.0 0.0 0.0 0.0 0.0 11.4 17.5 0.0 0.0 19.9 0.0 0.0 - 6 [ 0.0 .. 27.0] 52-> [ASP A 48] PSI 91.0 167.0 10.6 4.3 0.0 0.0 14.3 0.0 8.1 2.7 0.0 0.0 0.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 14.7 - 7 [ 0.0 .. 14.7] 54-> [ILE A 52] PSI 144.0 172.0 0.0 2.2 1.4 0.3 0.1 0.5 0.9 0.0 0.5 0.0 0.0 2.6 4.1 5.6 0.0 2.5 1.6 0.0 3.7 0.0 - 13 [ 0.0 .. 5.6] 55-> [ARG A 53] PHI -159.0 -107.0 0.5 0.0 9.5 3.6 0.0 0.0 0.0 9.5 0.0 0.0 0.0 0.0 0.0 0.0 6.0 0.0 0.0 3.6 0.0 3.3 - 7 [ 0.0 .. 9.5] 56-> [ARG A 53] PSI 144.0 168.0 2.8 4.1 0.9 2.0 2.9 0.0 0.0 6.7 0.0 0.0 0.0 0.0 0.0 0.0 1.0 0.0 0.0 5.4 0.0 2.7 - 9 [ 0.0 .. 6.7] 60-> [LYS A 55] PSI -54.0 -26.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.5 0.0 6.6 0.0 0.0 0.0 0.8 6.0 0.0 - 4 [ 0.0 .. 6.6] 61-> [GLU A 56] PHI -179.0 -139.0 0.0 0.0 0.0 0.0 0.0 0.0 8.8 0.0 0.0 0.0 0.0 36.0 0.0 19.5 0.0 0.0 0.0 0.0 0.3 0.0 - 4 [ 0.0 .. 36.0] 62-> [GLU A 56] PSI 139.0 171.0 5.4 8.6 0.7 4.6 0.0 10.9 0.0 3.3 0.0 9.7 9.4 0.0 4.1 0.0 0.0 0.0 3.1 8.9 1.5 7.4 - 13 [ 0.0 .. 10.9] 63-> [VAL A 63] PHI -74.0 -54.0 0.0 0.0 0.0 0.0 0.0 1.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.1 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 2.1] 64-> [VAL A 63] PSI -51.0 -31.0 0.0 10.7 0.0 6.9 0.0 0.0 0.0 0.0 0.0 0.0 3.1 0.0 0.0 1.3 0.0 0.0 5.5 0.0 9.0 8.2 - 7 [ 0.0 .. 10.7] 65-> [GLY A 64] PHI -77.0 -53.0 0.3 0.0 0.7 1.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.8 0.0 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 1.1] 68-> [VAL A 65] PSI -51.0 -31.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 11.1 0.0 0.0 0.0 0.8 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 11.1] 69-> [LYS A 66] PHI -75.0 -51.0 3.9 0.0 3.6 2.5 0.0 0.0 0.1 0.0 1.5 0.0 0.0 10.6 1.8 0.0 1.5 9.4 0.0 0.0 0.0 0.3 - 10 [ 0.0 .. 10.6] 70-> [LYS A 66] PSI -57.0 -29.0 27.4 2.1 19.0 8.9 14.7 12.2 20.6 4.9 16.3 18.9 0.0 31.7 19.0 5.7 20.2 30.6 0.6 1.4 0.6 5.6 - 19 [ 0.0 .. 31.7] 74-> [THR A 76] PSI 143.0 -177.0 20.2 0.0 0.0 14.8 13.1 20.8 11.1 0.0 0.0 12.8 17.2 0.0 0.0 0.0 0.0 11.4 0.0 0.0 0.0 0.0 - 8 [ 0.0 .. 20.8] 75-> [ILE A 77] PHI -175.0 -115.0 7.3 0.0 2.9 3.1 13.4 19.9 6.2 12.5 0.0 6.1 2.3 0.0 0.0 0.0 0.0 13.4 0.0 0.0 0.0 0.0 - 10 [ 0.0 .. 19.9] 79-> [CYS A 79] PHI -121.0 -61.0 12.4 15.6 9.0 15.7 5.0 3.4 7.1 7.9 5.4 13.3 2.2 13.9 3.5 18.9 18.7 8.3 20.3 19.9 19.4 23.9 - 20 [ 2.2 .. 23.9] 86-> [VAL A 86] PSI 114.0 146.0 0.0 0.0 0.0 4.4 0.6 0.0 0.6 14.6 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 .. 14.6] 90-> [ILE A 88] PSI 109.0 137.0 0.0 0.0 0.0 0.0 0.0 0.0 15.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7.7 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 15.8] 94-> [SER A 90] PSI 125.0 149.0 4.2 0.0 3.9 11.0 0.0 4.3 0.0 16.6 0.0 0.0 4.1 16.4 7.1 0.6 0.0 11.1 0.0 5.6 4.3 10.7 - 13 [ 0.0 .. 16.6] ---- 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 : 9 9 9 12 4 6 6 8 5 3 7 2 8 9 7 4 6 9 7 8 6.90 > 10. degrees : 8 6 1 3 5 5 3 7 1 4 2 6 2 5 5 5 2 5 2 3 4.00 Total : 19 16 14 17 11 12 13 15 7 7 11 9 13 15 13 11 9 15 13 12 12.60 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 : 27.4 23.9 19.0 15.7 18.9 20.8 20.6 17.8 16.3 18.9 17.2 36.0 19.0 19.5 20.2 30.6 20.3 19.9 19.4 23.9 35.96 Max PHI Viol : 27.0 23.9 9.5 15.7 18.9 19.9 8.8 17.8 9.0 13.4 10.4 36.0 13.9 19.5 18.7 21.0 20.3 19.9 19.4 23.9 35.96 Max PSI Viol : 27.4 11.8 19.0 14.8 14.7 20.8 20.6 16.6 16.3 18.9 17.2 31.7 19.0 9.0 20.2 30.6 5.5 12.5 9.0 14.7 31.68 Average Violation : 2.0 1.4 0.7 0.9 0.9 1.0 0.9 1.5 0.5 0.8 0.6 1.4 0.7 1.4 1.2 1.2 0.6 1.3 0.7 0.9 1.044 Avge PHI Viol : 1.312 1.224 0.738 0.768 0.927 0.899 0.730 1.259 0.582 0.835 0.564 1.214 0.656 1.391 1.251 1.052 0.872 1.201 0.808 0.840 0.989 Avge PSI Viol : 1.494 1.167 0.892 1.136 1.018 1.106 1.166 1.222 0.824 0.974 0.923 1.151 0.997 0.961 0.923 1.175 0.650 1.061 0.876 1.065 1.053 RMS Violation : 5.715 4.377 2.558 2.958 3.545 3.733 3.392 4.324 2.295 3.295 2.414 5.722 2.780 4.287 4.156 4.654 2.720 4.003 2.725 3.427 3.782 RMS PHI Viol : 5.456 5.282 2.020 2.442 3.493 3.435 1.932 4.595 1.549 2.893 1.591 5.972 2.107 5.580 4.769 4.064 3.607 4.792 3.200 3.564 3.868 RMS PSI Viol : 5.963 3.227 3.001 3.396 3.597 4.010 4.390 4.035 2.851 3.653 3.020 5.461 3.319 2.370 3.437 5.177 1.340 3.014 2.148 3.284 3.695 Final --global-- Summary for 20 models, 94 ACOs/model, 1880 ACOs total ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Summ. Viol. : 1962.81 Summ. Sq. Viol. : 26896.86 Max. Viol. : 35.961 Avg. Viol. : 1.04405 RMS Viol. : 3.78244 Std. Dev. Viol. : 3.63549