32-> [LEU A 22] PSI -35.0 25.0 0.0 0.0 16.0 0.0 0.0 0.0 0.0 0.0 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 .. 16.0] 33-> [ARG A 26] PHI -95.8 -35.8 0.0 6.5 0.0 0.0 0.0 0.0 6.9 0.0 0.0 0.0 0.0 12.3 16.7 0.0 0.0 0.0 3.3 0.0 0.0 10.0 - 6 [ 0.0 .. 16.7] 34-> [ARG A 26] PSI -64.7 -4.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 23.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 23.9] 35-> [ARG A 27] PHI -93.9 -33.9 0.0 0.0 0.0 0.0 0.0 6.2 0.0 0.0 0.0 0.0 5.8 0.0 0.0 6.7 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 6.7] 36-> [ARG A 27] PSI -70.3 -10.3 12.9 0.0 0.0 15.9 0.5 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 - 3 [ 0.0 .. 15.9] 54-> [GLN A 36] PSI -43.9 16.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 9.2 0.0 0.0 2.5 1.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 9.2] 55-> [GLU A 38] PHI -132.6 -72.6 6.5 13.7 6.6 9.5 0.0 3.3 9.9 11.1 14.3 1.4 4.5 13.4 0.0 12.2 5.8 8.0 1.5 2.8 9.0 0.0 - 17 [ 0.0 .. 14.3] 78-> [GLY A 49] PSI -24.8 35.2 5.5 0.0 6.3 0.0 0.0 6.2 2.7 0.0 1.2 0.0 0.0 2.2 0.0 12.3 0.6 10.6 12.9 13.8 1.6 0.0 - 12 [ 0.0 .. 13.8] 104-> [LEU A 62] PSI -69.7 -9.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 6.6 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 6.6] 111-> [GLU A 69] PHI -162.3 -102.3 6.1 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 0.0 0.0 - 1 [ 0.0 .. 6.1] 114-> [ALA A 70] PSI 109.7 169.7 8.2 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 - 1 [ 0.0 .. 8.2] 115-> [ARG A 71] PHI -158.4 -98.4 0.0 0.0 0.0 0.5 7.8 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 - 2 [ 0.0 .. 7.8] 116-> [ARG A 71] PSI 106.2 166.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 6.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 6.4] 117-> [ARG A 72] PHI -139.2 -79.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.5 0.0 0.0 0.0 2.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 2.4] 118-> [ARG A 72] PSI 97.1 157.1 0.0 0.0 0.0 0.0 29.1 0.0 0.0 0.0 0.0 7.1 0.0 0.0 0.0 0.0 0.0 0.0 17.3 0.0 0.0 0.0 - 3 [ 0.0 .. 29.1] 119-> [GLU A 73] PHI -161.2 -101.2 0.0 0.0 0.0 0.0 15.8 0.0 0.0 0.0 0.0 11.2 8.0 0.0 0.0 0.0 0.0 0.0 13.5 0.0 0.0 0.0 - 4 [ 0.0 .. 15.8] 120-> [GLU A 73] PSI 87.6 147.6 0.0 0.0 8.6 0.0 0.0 0.0 0.0 0.0 0.0 12.0 7.6 10.9 0.0 0.0 0.0 0.0 0.0 11.0 0.0 0.0 - 5 [ 0.0 .. 12.0] 125-> [ARG A 76] PHI -154.9 -94.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5.5 0.0 0.0 3.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 5.5] 126-> [ARG A 76] PSI 111.4 171.4 0.0 0.0 0.0 0.0 0.0 1.4 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 - 1 [ 0.0 .. 1.4] 127-> [GLN A 77] PHI -144.7 -84.7 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 1.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.0] 131-> [TYR A 79] PHI -161.4 -101.4 0.0 0.0 0.0 0.0 7.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 7.7] 135-> [GLU A 84] PHI -89.7 -29.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 4.4] 167-> [HIS A 100] PHI -110.4 -50.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.7 0.0 0.0 0.0 0.0 0.0 3.4 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 3.7] 168-> [HIS A 100] PSI -64.0 -4.0 0.0 0.0 18.3 0.0 0.0 0.0 22.9 0.0 17.8 0.0 28.7 0.0 0.0 0.0 36.0 0.0 0.0 0.0 40.7 0.0 - 6 [ 0.0 .. 40.7] 200-> [LEU B 22] PSI -35.0 25.0 0.0 0.0 16.0 0.0 0.0 0.0 0.0 0.0 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 .. 16.0] 201-> [ARG B 26] PHI -95.8 -35.8 0.0 6.6 0.0 0.0 0.0 0.0 7.0 0.0 0.0 0.0 0.0 12.3 16.8 0.0 0.0 0.0 3.3 0.0 0.0 10.0 - 6 [ 0.0 .. 16.8] 202-> [ARG B 26] PSI -64.7 -4.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 23.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 23.8] 203-> [ARG B 27] PHI -93.9 -33.9 0.0 0.0 0.0 0.0 0.0 6.1 0.0 0.0 0.0 0.0 5.7 0.0 0.0 6.7 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 6.7] 204-> [ARG B 27] PSI -70.3 -10.3 12.8 0.0 0.0 15.9 0.5 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 - 3 [ 0.0 .. 15.9] 222-> [GLN B 36] PSI -43.9 16.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 9.1 0.0 0.0 2.5 0.9 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 9.1] 223-> [GLU B 38] PHI -132.6 -72.6 6.5 13.7 6.7 9.5 0.0 3.3 9.8 11.1 14.3 1.5 4.6 13.4 0.0 12.2 5.7 7.9 1.5 2.7 8.9 0.0 - 17 [ 0.0 .. 14.3] 246-> [GLY B 49] PSI -24.8 35.2 5.4 0.0 6.3 0.0 0.0 6.1 2.8 0.0 1.1 0.0 0.0 2.2 0.0 12.2 0.6 10.5 12.9 13.8 1.6 0.0 - 12 [ 0.0 .. 13.8] 272-> [LEU B 62] PSI -69.7 -9.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 6.6 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 6.6] 279-> [GLU B 69] PHI -162.3 -102.3 6.1 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 0.0 0.0 - 1 [ 0.0 .. 6.1] 282-> [ALA B 70] PSI 109.7 169.7 8.2 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 - 1 [ 0.0 .. 8.2] 283-> [ARG B 71] PHI -158.4 -98.4 0.0 0.0 0.0 0.5 7.8 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 - 2 [ 0.0 .. 7.8] 285-> [ARG B 72] PHI -139.2 -79.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.4 0.0 0.0 0.0 2.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 2.3] 286-> [ARG B 72] PSI 97.1 157.1 0.0 0.0 0.0 0.0 29.0 0.0 0.0 0.0 0.0 7.1 0.0 0.0 0.0 0.0 0.0 0.0 17.3 0.0 0.0 0.0 - 3 [ 0.0 .. 29.0] 287-> [GLU B 73] PHI -161.2 -101.2 0.0 0.0 0.0 0.0 15.9 0.0 0.0 0.0 0.0 11.2 8.0 0.0 0.0 0.0 0.0 0.0 13.5 0.0 0.0 0.0 - 4 [ 0.0 .. 15.9] 288-> [GLU B 73] PSI 87.6 147.6 0.0 0.0 8.6 0.0 0.0 0.0 0.0 0.0 0.0 12.1 7.6 10.9 0.0 0.0 0.0 0.0 0.0 11.0 0.0 0.0 - 5 [ 0.0 .. 12.1] 293-> [ARG B 76] PHI -154.9 -94.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5.4 0.0 0.0 3.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 5.4] 299-> [TYR B 79] PHI -161.4 -101.4 0.0 0.0 0.0 0.0 7.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 7.7] 303-> [GLU B 84] PHI -89.7 -29.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 4.4] 335-> [HIS B 100] PHI -110.4 -50.4 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 3.3 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 3.6] 336-> [HIS B 100] PSI -64.0 -4.0 0.0 0.0 18.2 0.0 0.0 0.0 22.9 0.0 17.8 0.0 28.6 0.0 0.0 0.0 36.1 0.0 0.0 0.0 40.7 0.0 - 6 [ 0.0 .. 40.7] ---- 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 : 8 2 6 2 4 7 6 5 4 6 10 6 2 3 6 2 4 2 4 1 4.50 > 10. degrees : 2 2 4 2 4 0 2 2 4 4 2 6 4 4 2 2 6 4 2 1 2.95 Total : 10 4 10 6 10 9 8 9 8 12 12 12 6 10 10 4 10 6 6 4 8.30 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 : 12.9 13.7 18.3 15.9 29.1 6.2 22.9 11.1 17.8 12.1 28.7 13.4 23.9 12.3 36.1 10.6 17.3 13.8 40.7 10.0 40.72 Max PHI Viol : 6.5 13.7 6.7 9.5 15.9 6.2 9.9 11.1 14.3 11.2 8.0 13.4 16.8 12.2 5.8 8.0 13.5 2.8 9.0 10.0 16.76 Max PSI Viol : 12.9 0.0 18.3 15.9 29.1 6.2 22.9 6.4 17.8 12.1 28.7 10.9 23.9 12.3 36.1 10.6 17.3 13.8 40.7 0.0 40.72 Average Violation : 0.2 0.1 0.3 0.2 0.4 0.1 0.3 0.1 0.2 0.2 0.3 0.3 0.3 0.2 0.3 0.1 0.3 0.2 0.3 0.1 0.223 Avge PHI Viol : 0.387 0.491 0.282 0.345 0.611 0.339 0.447 0.463 0.463 0.394 0.507 0.622 0.447 0.486 0.330 0.307 0.466 0.181 0.326 0.356 0.426 Avge PSI Viol : 0.562 0.000 0.765 0.435 0.593 0.285 0.553 0.195 0.475 0.581 0.657 0.395 0.560 0.396 0.717 0.354 0.599 0.543 0.710 0.000 0.514 RMS Violation : 1.425 1.172 2.111 1.428 2.689 0.723 2.009 1.020 1.785 1.556 2.449 1.690 2.258 1.433 2.874 1.016 1.983 1.378 3.218 0.772 1.876 RMS PHI Viol : 0.970 1.657 0.727 1.035 2.105 0.766 1.315 1.357 1.611 1.231 1.238 2.060 1.828 1.520 0.729 0.863 1.525 0.301 0.975 1.091 1.328 RMS PSI Viol : 1.767 0.000 2.896 1.734 3.168 0.678 2.518 0.491 1.944 1.825 3.234 1.211 2.619 1.340 3.999 1.149 2.353 1.926 4.446 0.000 2.298 Final --global-- Summary for 20 models, 336 ACOs/model, 6720 ACOs total ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Summ. Viol. : 1497.30 Summ. Sq. Viol. : 23662.33 Max. Viol. : 40.718 Avg. Viol. : 0.22281 RMS Viol. : 1.87648 Std. Dev. Viol. : 1.86321