11-> [SER A 13] PHI -147.9 -87.9 0.0 0.1 0.0 0.0 0.0 4.0 4.2 0.0 0.0 2.3 0.7 3.3 5.2 2.1 0.0 0.0 0.0 0.6 4.5 1.6 - 11 [ 0.0 .. 5.2] 23-> [GLU A 19] PHI -142.9 -82.9 0.0 4.1 0.0 0.2 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 - 3 [ 0.0 .. 4.1] 30-> [ALA A 23] PSI 99.6 159.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 12.4 0.0 0.0 0.0 0.0 8.5 0.0 0.0 0.0 - 2 [ 0.0 .. 12.4] 31-> [GLU A 28] PHI -147.5 -87.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7.2 1.9 0.0 0.0 0.0 - 2 [ 0.0 .. 7.2] 39-> [GLN A 38] PHI -156.8 -96.8 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 0.0 0.0 0.0 0.0 1.8 0.0 0.0 - 1 [ 0.0 .. 1.8] 43-> [LYS A 40] PHI -172.7 -112.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 3.8] 46-> [LEU A 42] PSI 117.7 177.7 0.0 0.0 0.0 0.0 0.4 0.0 0.0 0.0 0.0 1.7 2.6 0.0 0.0 0.0 7.9 0.0 5.3 0.0 0.0 0.0 - 5 [ 0.0 .. 7.9] 53-> [GLY A 49] PHI 108.9 168.9 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 5.9 0.0 0.0 0.0 - 1 [ 0.0 .. 5.9] 54-> [GLY A 49] PSI 119.3 179.3 24.3 25.7 10.8 5.9 14.7 0.0 5.2 25.7 25.8 22.7 4.6 12.0 8.7 0.1 12.9 8.3 17.1 17.2 16.9 2.1 - 19 [ 0.0 .. 25.8] 58-> [ILE A 51] PSI 104.1 164.1 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 5.4 0.0 0.0 0.0 - 1 [ 0.0 .. 5.4] 59-> [ARG A 52] PHI -150.1 -90.1 0.0 0.0 0.0 0.4 0.0 0.2 6.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.6 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 6.0] 65-> [TRP A 56] PHI -115.0 -75.0 0.0 2.7 0.8 1.7 0.0 0.0 0.0 3.5 0.0 4.4 0.0 0.0 0.0 4.4 2.0 6.3 0.0 0.0 2.0 0.3 - 10 [ 0.0 .. 6.3] 66-> [TRP A 56] PSI 143.1 -176.9 10.4 11.7 21.0 2.2 2.5 3.2 16.6 13.0 4.0 2.4 17.1 16.2 2.9 13.3 14.0 5.2 20.3 8.7 7.5 2.9 - 20 [ 2.2 .. 21.0] 73-> [VAL A 64] PHI -146.6 -86.5 16.2 0.0 13.7 0.0 0.0 0.0 0.0 0.0 2.0 0.0 7.2 0.0 0.0 0.0 5.3 0.0 0.0 0.0 0.0 6.2 - 6 [ 0.0 .. 16.2] 77-> [ILE A 69] PHI -138.1 -78.1 0.0 0.0 0.0 0.0 3.3 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 - 1 [ 0.0 .. 3.3] 91-> [LYS A 77] PHI -163.9 -103.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.9 0.0 0.0 2.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 2.6] 93-> [GLN A 78] PHI -120.3 -60.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 9.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 9.4] 94-> [GLN A 78] PSI 109.0 169.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 2.4] 95-> [GLU A 84] PHI -167.1 -107.1 0.0 0.0 0.0 0.0 7.1 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 - 1 [ 0.0 .. 7.1] 96-> [GLU A 84] PSI 126.6 -173.4 0.0 0.0 0.0 0.0 9.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.3 0.0 0.0 8.8 0.0 0.0 0.0 - 3 [ 0.0 .. 9.5] 97-> [ILE A 85] PHI -162.1 -102.1 0.0 0.0 0.0 0.0 10.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.4 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 10.6] 106-> [ASN A 89] PSI 116.1 176.1 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 4.1 0.0 0.0 - 1 [ 0.0 .. 4.1] 109-> [GLY A 91] PHI -151.0 -111.0 0.0 0.0 0.0 1.1 2.6 5.5 5.4 0.6 0.0 2.8 0.2 0.0 0.0 1.5 0.0 0.0 2.3 3.6 1.4 0.1 - 12 [ 0.0 .. 5.5] 110-> [GLY A 91] PSI 118.3 158.3 13.6 2.0 12.6 12.4 0.0 5.2 12.0 13.4 6.8 13.6 11.8 2.0 14.8 15.9 13.3 7.0 17.8 0.0 16.9 9.5 - 18 [ 0.0 .. 17.8] 113-> [LEU A 39] CHI1 160.0 -160.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 97.7 0.0 0.0 0.0 0.0 0.0 98.8 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 98.8] 114-> [LEU A 39] CHI2 40.0 80.0 70.8 69.9 69.5 0.0 0.0 0.0 0.0 77.2 0.0 0.0 0.0 0.0 0.0 72.5 0.0 0.0 76.8 0.0 72.4 67.4 - 8 [ 0.0 .. 77.2] 115-> [LYS A 26] CHI1 40.0 80.0 103.8 0.0 101.1 0.0 0.0 100.8 99.6 0.0 0.0 0.0 102.0 0.0 0.0 0.0 0.0 0.0 0.0 111.3 109.9 102.7 - 8 [ 0.0 .. 111.3] 117-> [GLN A 78] CHI1 160.0 -160.0 97.2 0.0 0.0 0.0 0.0 0.0 95.7 0.0 0.0 0.0 0.0 0.0 96.6 92.9 97.7 0.0 0.0 0.0 0.0 0.0 - 5 [ 0.0 .. 97.7] 118-> [GLN A 78] CHI2 160.0 -160.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 91.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 91.1] 119-> [TYR A 75] CHI1 160.0 -160.0 90.8 0.0 0.0 91.6 0.0 91.9 93.7 92.2 90.6 93.2 93.9 93.9 88.5 91.2 0.0 0.0 0.0 92.6 91.0 90.7 - 14 [ 0.0 .. 93.9] 120-> [TYR A 75] CHI2 70.0 110.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.3 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 3.3] 121-> [ASN A 57] PSI -175.0 -135.0 15.9 19.6 20.1 15.1 0.0 14.5 20.0 18.4 17.6 17.7 19.4 20.0 16.2 19.0 17.6 16.2 19.9 17.6 15.0 19.9 - 19 [ 0.0 .. 20.1] 125-> [ASN A 11] PSI -11.1 49.9 0.0 15.1 0.0 0.0 0.0 0.0 0.0 1.5 2.9 2.3 0.8 3.2 0.0 0.0 7.9 0.0 0.0 0.0 0.0 0.0 - 7 [ 0.0 .. 15.1] ---- 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 : 0 3 0 4 5 4 4 2 4 6 4 6 4 3 5 7 7 4 4 5 4.05 > 10. degrees : 9 5 7 3 2 3 6 7 3 5 5 5 4 6 5 2 5 4 6 4 4.80 Total : 9 9 8 10 8 8 10 10 8 11 12 11 8 11 10 9 12 10 10 11 9.75 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 : 103.8 69.9 101.1 91.6 14.7 100.8 99.6 92.2 90.6 97.7 102.0 93.9 96.6 92.9 97.7 98.8 76.8 111.3 109.9 102.7 111.26 Max PHI Viol : 16.2 4.1 13.7 1.7 10.6 5.5 6.0 3.5 2.0 4.4 9.4 3.3 5.2 4.4 5.3 7.2 5.9 3.6 4.5 6.2 16.25 Max PSI Viol : 24.3 25.7 21.0 15.1 14.7 14.5 20.0 25.7 25.8 22.7 19.4 20.0 16.2 19.0 17.6 16.2 20.3 17.6 16.9 19.9 25.77 Max CHI1 Viol : 103.8 0.0 101.1 91.6 0.0 100.8 99.6 92.2 90.6 97.7 102.0 93.9 96.6 92.9 97.7 98.8 0.0 111.3 109.9 102.7 111.26 Max CHI2 Viol : 70.8 69.9 69.5 0.0 0.0 0.0 0.0 91.1 0.0 0.0 0.0 0.0 0.0 72.5 3.3 0.0 76.8 0.0 72.4 67.4 91.08 Average Violation : 3.5 1.2 2.0 1.0 0.4 1.8 2.9 2.7 1.2 2.1 2.2 1.4 1.9 2.5 1.5 1.2 1.5 2.1 2.7 2.4 1.908 Avge PHI Viol : 0.529 0.344 0.500 0.260 0.637 0.410 0.518 0.264 0.223 0.403 0.549 0.345 0.393 0.372 0.356 0.564 0.417 0.324 0.370 0.376 0.422 Avge PSI Viol : 1.043 1.121 1.046 0.776 0.678 0.622 0.955 1.105 0.984 1.012 0.978 1.076 0.849 0.907 1.116 0.789 1.323 0.898 0.977 0.764 0.965 Avge CHI1 Viol : 8.541 0.000 5.027 4.785 0.000 6.941 8.500 4.801 4.758 6.910 6.998 4.845 6.803 6.784 4.942 4.971 0.000 7.139 7.087 6.952 5.909 Avge CHI2 Viol : 4.207 4.181 4.167 0.000 0.000 0.000 0.000 6.486 0.000 0.000 0.000 0.000 0.000 4.256 0.906 0.000 4.381 0.000 4.254 4.106 2.896 RMS Violation : 16.704 7.117 11.437 8.398 1.989 12.297 15.177 13.890 8.603 12.428 12.713 8.861 11.923 13.569 9.190 9.070 7.779 13.166 14.553 13.814 11.635 RMS PHI Viol : 2.134 0.647 1.801 0.283 1.764 0.895 1.194 0.463 0.290 0.742 1.559 0.563 0.841 0.673 0.749 1.346 0.869 0.534 0.677 0.839 1.072 RMS PSI Viol : 4.384 4.900 4.357 2.669 2.306 2.045 3.790 4.787 4.206 4.173 3.770 4.074 3.091 3.662 4.058 2.627 5.253 3.440 3.804 2.910 3.813 RMS CHI1 Viol : 84.367 0.000 50.538 45.799 0.000 68.208 83.461 46.091 45.285 67.543 69.323 46.947 65.509 65.088 48.844 49.425 0.000 72.379 71.335 68.491 58.099 RMS CHI2 Viol : 35.392 34.970 34.730 0.000 0.000 0.000 0.000 59.697 0.000 0.000 0.000 0.000 0.000 36.229 1.641 0.000 38.382 0.000 36.195 33.719 24.981 Final --global-- Summary for 20 models, 125 ACOs/model, 2500 ACOs total ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Summ. Viol. : 4770.04 Summ. Sq. Viol. : 338444.69 Max. Viol. : 111.260 Avg. Viol. : 1.90802 RMS Viol. : 11.63520 Std. Dev. Viol. : 11.47769