2-> [THR A 2] PSI 103.5 155.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 17.8 0.0 15.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 17.8] 3-> [SER A 3] PHI -144.9 -40.7 0.0 0.0 0.0 0.0 4.8 0.0 0.0 0.0 0.0 0.0 0.0 16.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 16.5] 17-> [THR A 10] PHI -85.4 -45.4 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 10.8 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 10.8] 22-> [ILE A 12] PSI -64.4 -24.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.5 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 .. 4.5] 24-> [ALA A 13] PSI -64.5 -24.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10.8 0.0 0.0 0.0 0.0 0.0 0.0 6.1 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 10.8] 25-> [GLU A 14] PHI -86.5 -46.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 31.1 0.0 0.0 9.7 0.0 0.0 0.0 20.1 0.0 5.3 0.0 0.0 10.3 - 5 [ 0.0 .. 31.1] 27-> [THR A 15] PHI -88.4 -45.6 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 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 5.9] 31-> [ILE A 18] PHI -169.4 -78.0 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] 35-> [ARG A 20] PSI -56.3 -16.3 0.0 0.0 0.0 0.0 4.7 1.6 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 - 2 [ 0.0 .. 4.7] 38-> [THR A 22] PHI -122.4 -81.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 7.4] 39-> [THR A 22] PSI -34.3 26.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 6.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 6.3] 41-> [ILE A 23] PSI 104.5 166.3 0.0 0.0 0.0 2.6 7.8 0.0 2.3 0.0 0.0 0.0 0.0 7.9 0.0 0.0 0.0 2.8 0.0 7.9 0.0 1.7 - 7 [ 0.0 .. 7.9] 45-> [GLU A 26] PHI -111.4 -71.4 0.0 0.0 0.0 0.0 0.7 0.0 0.0 0.0 4.6 6.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.8 1.8 0.0 - 5 [ 0.0 .. 6.3] 46-> [GLU A 26] PSI -27.7 19.8 0.0 0.0 0.0 0.0 0.3 0.0 0.0 0.0 1.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.1 0.0 0.0 - 3 [ 0.0 .. 1.4] 53-> [ILE A 30] PHI -85.3 -45.3 12.9 18.2 4.8 15.0 19.7 18.2 0.0 14.0 18.6 18.1 14.4 13.8 9.4 12.9 12.8 14.7 7.1 15.9 16.8 7.0 - 20 [ 0.0 .. 19.7] 58-> [ASP A 36] PSI 142.6 -172.5 0.0 0.0 0.0 0.0 0.0 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 - 1 [ 0.0 .. 7.1] 61-> [LEU A 38] PHI -85.0 -45.0 12.5 0.0 7.6 14.0 7.3 0.0 12.5 8.6 0.0 0.0 0.0 5.1 9.9 6.4 2.3 3.2 15.7 4.0 5.8 4.9 - 15 [ 0.0 .. 15.7] 83-> [LYS A 49] PHI -82.9 -42.9 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 3.3 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 3.3] 94-> [LYS A 54] PSI 88.5 152.6 0.0 1.3 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 - 1 [ 0.0 .. 1.3] 97-> [PRO A 56] PSI 86.9 -168.4 24.6 22.3 24.1 22.1 22.0 22.3 16.3 18.9 21.8 26.2 18.4 21.9 23.5 15.5 18.1 16.9 18.3 20.8 24.9 15.3 - 20 [ 15.3 .. 26.2] 106-> [THR A 61] PHI -84.0 -44.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 11.1 11.6 0.0 0.0 15.8 - 3 [ 0.0 .. 15.8] 107-> [THR A 61] PSI -59.0 -19.0 0.0 0.0 0.0 0.0 0.0 2.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.8 4.1 0.0 0.0 4.0 - 4 [ 0.0 .. 4.1] 117-> [ASP A 66] PSI -18.3 21.7 0.0 0.0 0.0 1.8 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 - 1 [ 0.0 .. 1.8] 124-> [THR A 71] PHI -79.3 -39.3 10.5 0.0 0.0 0.0 3.0 0.0 0.0 1.1 7.5 4.3 0.0 0.0 3.2 0.0 1.0 0.0 2.7 0.0 0.3 0.0 - 9 [ 0.0 .. 10.5] 162-> [ALA A 93] PHI -86.5 -44.7 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 0.0 0.0 0.0 0.0 2.2 - 1 [ 0.0 .. 2.2] ---- 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 1 2 2 5 2 1 4 3 5 2 2 3 2 3 3 4 4 2 5 2.75 > 10. degrees : 4 2 1 3 2 2 2 4 2 2 2 4 1 3 3 4 3 2 2 3 2.55 Total : 4 3 3 5 9 4 4 9 5 7 4 6 4 5 6 8 7 8 5 8 5.70 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 : 24.6 22.3 24.1 22.1 22.0 22.3 16.3 31.1 21.8 26.2 18.4 21.9 23.5 15.5 20.1 16.9 18.3 20.8 24.9 15.8 31.06 Max PHI Viol : 12.9 18.2 7.6 15.0 19.7 18.2 12.5 31.1 18.6 18.1 14.4 16.5 9.9 12.9 20.1 14.7 15.7 15.9 16.8 15.8 31.06 Max PSI Viol : 24.6 22.3 24.1 22.1 22.0 22.3 16.3 18.9 21.8 26.2 18.4 21.9 23.5 15.5 18.1 16.9 18.3 20.8 24.9 15.3 26.24 Average Violation : 0.4 0.3 0.2 0.3 0.4 0.3 0.2 0.6 0.3 0.5 0.3 0.5 0.3 0.3 0.4 0.4 0.4 0.3 0.3 0.4 0.348 Avge PHI Viol : 0.666 0.474 0.392 0.599 0.662 0.474 0.393 0.870 0.616 0.667 0.609 0.661 0.527 0.528 0.668 0.701 0.723 0.529 0.551 0.705 0.612 Avge PSI Viol : 0.541 0.530 0.536 0.562 0.643 0.565 0.471 0.638 0.525 0.687 0.468 0.753 0.529 0.603 0.536 0.518 0.517 0.605 0.544 0.500 0.568 RMS Violation : 2.506 2.242 2.004 2.362 2.507 2.255 1.609 3.274 2.338 2.717 2.021 2.857 2.130 2.036 2.384 2.157 2.228 2.165 2.384 2.038 2.336 RMS PHI Viol : 2.312 2.025 1.003 2.282 2.416 2.022 1.388 3.969 2.286 2.328 2.040 2.455 1.559 1.639 2.662 2.400 2.398 1.849 1.986 2.313 2.242 RMS PSI Viol : 2.681 2.434 2.631 2.436 2.592 2.459 1.796 2.422 2.386 3.046 2.003 3.197 2.563 2.355 2.082 1.893 2.051 2.431 2.712 1.732 2.424 Final --global-- Summary for 20 models, 165 ACOs/model, 3300 ACOs total ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Summ. Viol. : 1148.07 Summ. Sq. Viol. : 18015.12 Max. Viol. : 31.058 Avg. Viol. : 0.34790 RMS Viol. : 2.33648 Std. Dev. Viol. : 2.31043