12-> [ARG A 9] PSI 119.2 139.2 0.0 0.0 9.8 4.6 5.7 7.4 2.9 4.5 13.5 0.0 4.4 0.6 2.2 0.0 0.0 0.0 0.0 0.0 3.1 0.0 - 11 [ 0.0 .. 13.5] 14-> [ILE A 10] PSI 119.0 148.7 0.0 0.0 9.7 3.4 0.0 0.0 0.0 0.0 4.8 1.5 0.7 1.3 0.0 0.0 0.0 0.0 0.0 3.1 1.5 0.0 - 8 [ 0.0 .. 9.7] 20-> [ASP A 14] PSI 48.2 -167.2 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 0.0 0.0 0.0 0.0 28.1 - 1 [ 0.0 .. 28.1] 21-> [LYS A 15] PHI -189.4 -57.3 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 0.0 0.0 0.0 9.2 - 1 [ 0.0 .. 9.2] 22-> [LYS A 15] PSI 129.3 -178.8 59.3 0.0 0.0 0.0 0.0 0.0 0.0 8.1 18.1 0.0 0.0 0.0 0.0 5.4 0.0 0.0 8.7 0.0 0.0 0.0 - 5 [ 0.0 .. 59.3] 23-> [MET A 18] PHI -74.3 -54.3 5.7 4.7 0.0 4.8 0.0 0.9 1.1 0.0 0.0 0.0 3.4 0.0 1.5 5.6 0.0 13.2 0.0 0.0 7.1 15.6 - 11 [ 0.0 .. 15.6] 24-> [MET A 18] PSI -49.7 -28.9 0.0 0.0 7.2 0.0 1.7 0.0 14.1 0.0 2.1 0.0 14.5 5.5 0.0 0.0 0.0 7.0 0.0 0.0 0.0 0.0 - 7 [ 0.0 .. 14.5] 25-> [THR A 19] PHI -79.8 -44.9 0.0 4.4 4.4 8.5 0.0 14.7 0.0 0.0 0.0 0.0 0.0 10.4 16.4 0.0 5.8 0.0 3.2 0.2 0.0 0.0 - 9 [ 0.0 .. 16.4] 26-> [THR A 19] PSI -57.4 -27.3 5.4 14.8 12.9 16.9 8.0 12.9 17.6 0.0 20.4 0.0 10.3 20.9 33.5 7.8 12.3 5.8 16.8 7.4 15.3 7.0 - 18 [ 0.0 .. 33.5] 27-> [ASN A 20] PHI -76.0 -54.2 0.0 4.6 10.8 0.0 34.8 5.3 0.6 0.0 0.0 0.0 4.0 19.8 24.3 0.0 0.0 17.5 14.2 0.3 7.8 0.0 - 12 [ 0.0 .. 34.8] 28-> [ASN A 20] PSI -48.0 -28.0 0.0 0.0 0.4 0.0 7.4 0.0 3.6 0.0 1.6 0.0 2.7 0.0 0.0 0.0 0.0 27.2 0.0 0.0 14.3 12.7 - 8 [ 0.0 .. 27.2] 29-> [GLN A 21] PHI -73.6 -47.6 0.0 0.0 0.0 0.0 6.6 0.0 11.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 45.8 0.0 0.0 23.4 16.4 - 5 [ 0.0 .. 45.8] 30-> [GLN A 21] PSI -57.9 -27.3 0.0 0.0 1.2 0.0 0.0 0.0 17.0 0.0 0.0 0.0 5.1 0.0 0.0 6.0 7.2 7.9 0.0 0.0 29.2 20.1 - 8 [ 0.0 .. 29.2] 32-> [ILE A 22] PSI -51.9 -29.7 3.1 0.7 1.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 9.7 0.0 0.0 5.5 2.7 7.0 0.0 0.0 0.0 - 7 [ 0.0 .. 9.7] 33-> [THR A 23] PHI -73.8 -53.8 3.8 2.9 0.0 0.0 0.0 0.0 30.1 0.0 0.0 1.8 24.2 22.4 0.0 10.9 2.2 37.3 8.9 0.0 31.7 15.7 - 12 [ 0.0 .. 37.3] 34-> [THR A 23] PSI -49.9 -28.0 3.1 8.0 2.2 0.2 1.0 2.2 5.1 2.8 2.8 2.2 13.3 0.3 2.8 1.1 4.8 13.5 0.0 0.5 16.3 11.8 - 19 [ 0.0 .. 16.3] 42-> [SER A 27] PSI -51.1 -22.7 7.6 6.1 5.0 4.4 0.0 6.0 8.3 5.3 7.3 6.9 3.0 4.3 3.3 0.0 3.4 0.0 6.3 0.0 11.2 4.8 - 16 [ 0.0 .. 11.2] 46-> [ASN A 32] PSI 112.6 156.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.3 6.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.0 - 3 [ 0.0 .. 6.2] 50-> [THR A 35] PSI 132.7 175.9 10.4 0.0 0.0 1.0 0.2 2.4 0.0 6.6 4.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 - 7 [ 0.0 .. 10.4] 52-> [ILE A 36] PSI 117.9 159.7 0.0 0.0 0.8 0.0 0.0 2.7 3.7 0.0 0.0 0.0 0.0 0.0 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 3.7] 54-> [VAL A 37] PSI 105.5 147.6 3.9 18.3 16.1 21.1 2.7 17.4 18.8 0.0 15.2 6.4 9.3 17.8 14.0 14.1 19.0 0.0 21.9 21.4 18.8 9.6 - 18 [ 0.0 .. 21.9] 58-> [ASN A 39] PSI 108.0 164.8 0.0 3.1 0.0 0.0 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 0.0 0.0 0.0 - 2 [ 0.0 .. 3.1] 59-> [ALA A 40] PHI -158.4 -85.9 0.0 5.8 5.0 0.0 0.0 0.0 2.7 8.6 0.0 0.0 3.6 0.0 0.0 0.0 0.0 7.4 0.0 0.0 0.0 0.0 - 6 [ 0.0 .. 8.6] 62-> [ILE A 44] PSI 134.1 178.1 0.0 0.0 0.0 4.2 4.0 3.6 0.0 3.4 2.2 5.0 7.0 4.4 0.0 2.8 2.5 5.9 3.5 4.1 4.3 0.0 - 14 [ 0.0 .. 7.0] 63-> [PHE A 45] PHI -172.6 -107.8 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 2.1 0.0 0.0 0.0 0.0 0.0 4.5 - 2 [ 0.0 .. 4.5] 70-> [ASN A 48] PSI 105.5 154.3 0.0 0.0 0.0 0.8 5.3 0.1 0.0 0.0 0.1 0.0 0.0 0.0 1.6 0.0 0.0 0.5 0.0 0.0 0.0 0.0 - 7 [ 0.0 .. 5.3] 71-> [LEU A 49] PHI -150.5 -99.1 0.0 0.0 0.0 0.2 4.6 3.6 0.0 1.5 0.0 0.0 0.0 0.0 3.2 0.0 0.0 1.6 0.0 0.0 0.0 0.0 - 6 [ 0.0 .. 4.6] 72-> [LEU A 49] PSI 108.9 171.0 0.0 0.0 0.0 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 0.2 0.0 0.0 - 2 [ 0.0 .. 3.0] 75-> [ILE A 51] PHI -151.1 -118.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 2.6] 76-> [ILE A 51] PSI 148.5 -179.9 0.0 10.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.4 0.0 8.4 0.0 0.0 0.0 0.0 0.0 0.0 2.0 - 4 [ 0.0 .. 10.2] 78-> [PHE A 52] PSI 113.6 156.3 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 0.0 0.0 0.0 1.1 - 1 [ 0.0 .. 1.1] 82-> [LYS A 54] PSI -51.5 2.3 0.0 0.0 4.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 9.5 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 9.5] 83-> [ASP A 57] PHI -78.2 -51.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 3.6] 87-> [LEU A 59] PHI -76.8 -56.8 0.0 0.0 0.3 0.0 1.8 0.4 1.9 0.0 0.0 0.0 0.5 0.0 0.0 0.5 0.0 0.1 0.0 0.7 0.0 1.7 - 9 [ 0.0 .. 1.9] 88-> [LEU A 59] PSI -47.2 -27.2 5.0 6.2 4.3 6.2 4.7 5.5 0.0 0.0 6.8 0.4 7.3 0.0 0.0 5.9 4.1 0.5 0.0 1.5 7.2 6.6 - 15 [ 0.0 .. 7.3] 89-> [THR A 60] PHI -74.7 -54.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.1 0.0 0.0 1.1 3.4 0.0 0.0 0.0 - 3 [ 0.0 .. 3.4] 90-> [THR A 60] PSI -48.5 -28.5 3.5 0.0 0.0 6.0 0.0 0.0 0.0 0.0 7.2 7.2 4.2 0.0 4.4 3.4 5.5 7.1 8.1 0.0 3.7 4.6 - 12 [ 0.0 .. 8.1] 93-> [LEU A 62] PHI -76.1 -54.5 0.0 0.0 4.0 0.0 0.0 0.0 0.0 0.0 3.7 0.0 0.6 0.0 0.0 0.0 3.4 0.0 0.0 0.0 2.1 0.0 - 5 [ 0.0 .. 4.0] 94-> [LEU A 62] PSI -53.9 -33.9 3.1 1.3 9.7 7.4 4.8 4.4 5.0 0.0 5.0 0.5 6.7 2.0 0.0 3.2 7.6 7.6 5.9 0.6 9.0 7.4 - 18 [ 0.0 .. 9.7] 98-> [ASP A 64] PSI -53.3 -33.3 0.0 0.0 1.9 0.0 4.1 0.0 0.4 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 - 3 [ 0.0 .. 4.1] 101-> [LEU A 66] PHI -89.7 -44.4 0.0 0.0 0.0 0.0 3.8 0.0 0.0 3.1 0.0 1.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 3.8] 102-> [LEU A 66] PSI -55.0 -26.6 5.9 0.1 1.0 4.9 12.1 8.4 4.8 15.1 0.2 6.7 0.8 0.0 8.5 4.6 3.2 0.0 0.0 12.4 7.2 0.0 - 16 [ 0.0 .. 15.1] 103-> [ARG A 67] PHI -84.0 -53.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 9.9 0.0 0.0 - 1 [ 0.0 .. 9.9] 104-> [ARG A 67] PSI -53.6 -8.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.1 0.0 0.0 0.0 0.0 2.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 2.6] 105-> [LYS A 68] PHI -121.0 -72.8 4.0 0.8 4.9 0.0 8.7 0.3 0.0 6.7 0.0 5.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 7 [ 0.0 .. 8.7] 110-> [THR A 74] PSI 119.1 174.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7.8 0.0 1.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 7.8] 112-> [VAL A 75] PSI 105.5 157.5 0.0 0.0 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 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.5] 115-> [ARG A 77] PHI -117.0 -68.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.1 0.0 0.0 0.0 3.5 0.0 0.0 0.0 1.1 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 3.5] 116-> [ARG A 77] PSI 103.1 152.3 0.0 0.0 0.0 0.0 0.0 0.0 7.8 10.6 0.0 0.0 0.0 2.5 0.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 10.6] ---- 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 : 12 10 16 11 15 11 11 12 11 12 12 10 13 11 13 11 9 5 10 12 11.35 > 10. degrees : 2 3 3 2 2 3 6 2 4 0 4 5 4 2 2 6 3 2 8 7 3.50 Total : 14 16 22 17 19 18 19 15 17 15 22 17 19 15 15 20 13 13 18 19 17.15 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 : 59.3 18.3 16.1 21.1 34.8 17.4 30.1 15.1 20.4 7.8 24.2 22.4 33.5 14.1 19.0 45.8 21.9 21.4 31.7 28.1 59.26 Max PHI Viol : 5.7 5.8 10.8 8.5 34.8 14.7 30.1 8.6 3.7 5.3 24.2 22.4 24.3 10.9 5.8 45.8 14.2 9.9 31.7 16.4 45.80 Max PSI Viol : 59.3 18.3 16.1 21.1 12.1 17.4 18.8 15.1 20.4 7.8 14.5 20.9 33.5 14.1 19.0 27.2 21.9 21.4 29.2 28.1 59.26 Average Violation : 1.1 0.8 1.0 0.8 1.1 0.8 1.4 0.7 1.0 0.5 1.1 1.1 1.2 0.6 0.8 1.8 0.9 0.5 1.8 1.6 1.035 Avge PHI Viol : 0.480 0.633 0.712 0.484 1.020 0.659 0.912 0.614 0.252 0.452 0.792 0.983 0.920 0.574 0.445 1.469 0.716 0.438 1.114 1.044 0.790 Avge PSI Viol : 1.379 1.089 1.235 1.205 1.030 1.122 1.371 0.999 1.388 0.878 1.246 1.153 1.221 0.969 1.207 1.216 1.168 0.939 1.559 1.431 1.203 RMS Violation : 5.787 2.808 3.000 3.029 3.921 2.890 4.599 2.372 3.481 1.664 3.517 4.132 4.558 2.211 2.767 6.730 3.397 2.619 5.820 4.789 3.925 RMS PHI Viol : 1.033 1.352 1.860 1.291 4.860 2.108 4.279 1.523 0.485 0.844 3.290 4.177 3.901 1.635 0.935 8.339 2.284 1.309 5.356 3.869 3.353 RMS PSI Viol : 8.118 3.734 3.812 4.085 2.670 3.501 4.897 2.988 4.899 2.196 3.731 4.087 5.132 2.665 3.800 4.588 4.227 3.464 6.249 5.558 4.425 Final --global-- Summary for 20 models, 116 ACOs/model, 2320 ACOs total ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Summ. Viol. : 2402.07 Summ. Sq. Viol. : 35749.51 Max. Viol. : 59.257 Avg. Viol. : 1.03538 RMS Viol. : 3.92546 Std. Dev. Viol. : 3.78646