1-> [PHE A 7] PHI -78.0 -58.0 1.1 0.0 6.5 2.5 3.5 2.3 2.0 0.1 0.0 1.9 11.3 0.0 6.3 2.0 7.1 16.6 14.4 5.0 0.0 0.0 - 15 [ 0.0 .. 16.6] 2-> [PHE A 7] PSI -49.0 -29.0 0.0 0.9 0.0 4.2 0.0 4.0 1.8 0.0 0.0 0.0 9.1 0.0 0.0 0.0 4.0 6.4 8.3 0.0 2.1 3.7 - 10 [ 0.0 .. 9.1] 6-> [ARG A 9] PSI -56.0 -28.0 0.0 0.0 0.0 0.0 0.0 11.0 1.1 0.3 0.0 0.0 6.3 1.7 0.0 0.0 13.3 4.2 3.4 0.0 4.7 0.0 - 9 [ 0.0 .. 13.3] 29-> [ARG A 24] PHI -76.0 -56.0 4.0 0.0 4.4 0.0 0.0 3.2 0.0 5.4 0.5 0.0 7.5 4.7 5.4 0.0 7.4 0.0 0.0 0.0 4.0 0.0 - 10 [ 0.0 .. 7.5] 34-> [LEU A 26] PSI -56.0 -28.0 0.0 0.0 0.0 0.0 0.0 3.5 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 - 1 [ 0.0 .. 3.5] 41-> [GLU A 30] PHI -72.0 -52.0 0.0 0.0 0.0 0.0 0.0 1.2 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 - 1 [ 0.0 .. 1.2] 56-> [TYR A 43] PSI -52.0 -32.0 0.0 0.2 0.0 0.2 0.0 0.0 0.0 1.4 0.0 1.8 0.0 1.5 0.0 0.0 0.0 0.0 1.2 0.0 0.0 1.7 - 7 [ 0.0 .. 1.8] 59-> [HIS A 45] PHI -74.0 -54.0 7.4 7.0 5.0 11.8 5.3 4.7 3.4 7.6 6.3 13.1 5.9 12.6 5.7 10.3 6.3 10.7 4.9 4.6 6.0 6.0 - 20 [ 3.4 .. 13.1] 60-> [HIS A 45] PSI -50.0 -30.0 3.3 1.1 2.8 2.1 0.3 1.3 0.0 0.0 0.0 1.1 4.0 1.1 0.4 1.8 1.2 0.3 0.0 4.2 1.2 0.0 - 17 [ 0.0 .. 4.2] 62-> [LEU A 46] PSI -49.0 -21.0 0.0 2.9 0.4 0.0 0.0 0.0 0.0 0.0 0.0 4.2 0.0 0.1 0.0 0.0 0.0 2.6 0.0 0.0 0.0 0.0 - 6 [ 0.0 .. 4.2] 65-> [LYS A 48] PHI -78.0 -58.0 0.0 0.0 3.0 0.0 0.6 0.0 0.0 1.7 0.5 0.0 0.0 3.3 1.3 0.0 2.6 3.5 0.7 0.0 1.5 0.2 - 11 [ 0.0 .. 3.5] 73-> [ARG A 52] PHI -83.0 -55.0 0.0 0.0 0.0 0.0 0.0 4.7 7.0 6.8 1.8 0.0 0.0 0.0 1.2 0.0 6.9 0.0 0.1 0.0 7.0 7.1 - 9 [ 0.0 .. 7.1] 77-> [THR A 56] PHI -72.0 -48.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.9 1.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.9] 78-> [THR A 56] PSI -51.0 -31.0 0.0 0.0 0.0 6.3 0.0 0.0 0.0 0.7 0.0 0.0 0.0 5.3 8.0 0.0 1.1 2.8 0.0 0.0 0.0 0.0 - 6 [ 0.0 .. 8.0] 101-> [GLU A 68] PHI -74.0 -54.0 0.0 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.0 0.0 0.0 0.0 0.0 3.9 0.0 0.0 2.3 0.0 4.0 - 5 [ 0.0 .. 4.0] 102-> [GLU A 68] PSI -55.0 -19.0 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 0.0 - 1 [ 0.0 .. 1.8] 103-> [VAL A 69] PHI -81.0 -53.0 19.0 19.0 20.8 19.0 0.0 15.1 21.5 27.1 21.0 15.8 20.5 0.0 19.9 19.7 25.9 0.0 0.0 19.9 19.8 25.9 - 16 [ 0.0 .. 27.1] 104-> [VAL A 69] PSI -63.0 -23.0 7.1 10.2 7.0 8.8 0.0 10.8 12.8 12.8 9.4 10.9 7.7 0.0 14.5 8.3 11.5 0.0 1.4 13.5 8.5 8.0 - 17 [ 0.0 .. 14.5] 108-> [ARG A 71] PSI -57.0 -25.0 5.1 0.0 5.0 0.0 0.0 5.3 0.0 0.0 0.0 0.0 3.6 0.0 0.0 7.8 0.0 0.0 0.0 0.0 0.0 0.0 - 5 [ 0.0 .. 7.8] 109-> [GLU A 72] PHI -87.0 -47.0 23.1 3.1 13.0 3.0 3.0 12.9 3.0 3.0 2.9 3.1 13.0 3.0 3.0 22.7 3.1 3.3 2.9 3.0 3.0 2.9 - 20 [ 2.9 .. 23.1] 110-> [GLU A 72] PSI -51.0 -15.0 0.0 9.0 7.1 8.9 9.1 5.7 9.0 9.0 9.0 9.0 6.4 8.9 8.9 0.0 8.9 9.0 9.1 9.1 9.0 9.0 - 18 [ 0.0 .. 9.1] 114-> [LYS A 77] PSI -49.0 -29.0 0.0 0.0 5.6 0.0 4.5 0.0 0.0 0.0 0.0 0.0 6.7 0.0 0.0 3.7 0.0 0.0 3.2 2.1 0.0 0.0 - 6 [ 0.0 .. 6.7] 115-> [ASP A 78] PHI -80.0 -56.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.4 0.0 0.0 0.0 0.1 0.0 0.0 0.0 0.0 0.0 0.0 1.1 - 3 [ 0.0 .. 1.1] 118-> [LEU A 79] PSI -52.0 -24.0 0.0 0.0 5.1 0.0 7.3 0.3 5.6 0.0 0.0 0.0 7.0 0.0 6.5 4.9 0.0 2.3 5.7 0.0 0.0 6.7 - 10 [ 0.0 .. 7.3] 120-> [SER A 80] PSI -52.0 -32.0 0.0 0.0 2.7 0.0 0.0 0.0 0.0 2.0 0.0 0.0 2.1 0.0 1.3 0.0 0.0 1.8 0.0 0.0 0.0 3.8 - 6 [ 0.0 .. 3.8] 122-> [GLU A 81] PSI -52.0 -32.0 0.0 3.8 0.0 0.0 0.0 0.0 0.0 0.0 1.2 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 .. 3.8] 123-> [LEU A 82] PHI -73.0 -49.0 1.4 0.0 0.0 0.0 2.3 2.1 0.0 0.8 0.0 0.6 0.6 2.6 1.7 0.0 0.0 1.5 2.3 2.0 2.0 0.0 - 12 [ 0.0 .. 2.6] 124-> [LEU A 82] PSI -53.0 -29.0 0.6 0.0 0.0 0.0 0.0 0.4 0.0 2.6 0.0 0.0 0.0 1.5 0.0 0.0 0.0 0.9 1.1 1.2 1.5 0.0 - 8 [ 0.0 .. 2.6] 127-> [ASP A 84] PHI -72.0 -52.0 0.0 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 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 2.0] 132-> [LYS A 86] PSI -55.0 -31.0 0.0 0.0 3.9 0.0 0.0 0.0 4.2 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 - 2 [ 0.0 .. 4.2] 133-> [LEU A 87] PHI -75.0 -55.0 0.0 0.0 0.0 0.0 0.0 0.0 3.2 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 .. 3.2] 141-> [TYR A 39] PSI 85.0 160.0 0.0 0.0 0.0 0.0 0.0 5.6 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 - 1 [ 0.0 .. 5.6] 143-> [TYR A 39] CHI2 40.0 90.0 40.0 22.0 16.9 19.3 14.5 49.0 30.5 0.0 28.3 20.8 17.4 26.4 23.2 19.7 24.3 20.3 19.3 20.7 20.4 125.6 - 19 [ 0.0 .. 125.6] ---- 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 : 7 7 12 7 7 12 11 9 7 8 11 10 11 6 11 10 12 9 12 11 9.50 > 10. degrees : 3 3 3 3 1 5 3 2 2 4 4 2 3 4 4 3 2 3 2 2 2.90 Total : 11 12 17 11 10 19 15 17 13 13 17 13 17 10 17 16 16 14 14 14 14.30 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 : 40.0 22.0 20.8 19.3 14.5 49.0 30.5 27.1 28.3 20.8 20.5 26.4 23.2 22.7 25.9 20.3 19.3 20.7 20.4 125.6 125.57 Max PHI Viol : 23.1 19.0 20.8 19.0 5.3 15.1 21.5 27.1 21.0 15.8 20.5 12.6 19.9 22.7 25.9 16.6 14.4 19.9 19.8 25.9 27.11 Max PSI Viol : 7.1 10.2 7.1 8.9 9.1 11.0 12.8 12.8 9.4 10.9 9.1 8.9 14.5 8.3 13.3 9.0 9.1 13.5 9.0 9.0 14.46 Max CHI2 Viol : 40.0 22.0 16.9 19.3 14.5 49.0 30.5 0.0 28.3 20.8 17.4 26.4 23.2 19.7 24.3 20.3 19.3 20.7 20.4 125.6 125.57 Average Violation : 0.8 0.6 0.8 0.6 0.4 1.0 0.7 0.6 0.6 0.6 0.9 0.5 0.8 0.7 0.9 0.6 0.6 0.6 0.6 1.4 0.710 Avge PHI Viol : 0.888 0.661 0.861 0.714 0.455 0.808 0.769 0.862 0.705 0.727 0.913 0.607 0.798 0.877 0.945 0.711 0.597 0.721 0.783 0.815 0.770 Avge PSI Viol : 0.476 0.627 0.751 0.655 0.546 0.822 0.697 0.637 0.535 0.616 0.862 0.532 0.747 0.610 0.753 0.653 0.705 0.659 0.616 0.681 0.666 Avge CHI2 Viol : 6.322 4.687 4.116 4.390 3.811 7.003 5.527 0.000 5.320 4.563 4.169 5.137 4.813 4.434 4.926 4.506 4.388 4.553 4.515 11.206 5.284 RMS Violation : 4.308 2.791 2.893 2.778 1.718 4.750 3.528 2.822 3.203 2.765 3.196 2.670 3.180 3.311 3.633 2.631 2.411 2.873 2.785 10.829 3.898 RMS PHI Viol : 3.695 2.439 3.135 2.692 0.881 2.549 2.778 3.521 2.639 2.485 3.376 1.708 2.687 3.775 3.544 2.417 1.862 2.546 2.681 3.319 2.824 RMS PSI Viol : 1.111 1.717 1.728 1.752 1.482 2.253 2.051 1.909 1.553 1.764 2.218 1.280 2.363 1.546 2.395 1.517 1.737 2.021 1.606 1.763 1.820 RMS CHI2 Viol : 39.963 21.963 16.945 19.268 14.524 49.042 30.549 0.000 28.303 20.825 17.384 26.388 23.162 19.658 24.261 20.302 19.254 20.732 20.388 125.570 37.033 Final --global-- Summary for 20 models, 143 ACOs/model, 2860 ACOs total ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Summ. Viol. : 2030.18 Summ. Sq. Viol. : 43459.59 Max. Viol. : 125.570 Avg. Viol. : 0.70985 RMS Viol. : 3.89816 Std. Dev. Viol. : 3.83298