4-> [THR A 8] PSI -55.0 -23.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.8 0.0 0.0 0.0 0.0 0.2 2.3 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 2.3] 5-> [ARG A 9] PHI -72.0 -52.0 2.5 2.7 2.2 0.5 2.2 2.4 3.0 2.6 1.4 2.2 1.0 2.4 2.2 0.0 0.0 2.0 1.4 1.8 0.0 3.1 - 17 [ 0.0 .. 3.1] 6-> [ARG A 9] PSI -56.0 -28.0 1.0 3.6 3.9 0.0 0.6 2.3 1.6 1.5 1.8 0.3 1.0 0.9 3.1 0.6 0.5 2.3 1.8 0.3 0.0 1.5 - 18 [ 0.0 .. 3.9] 44-> [GLU A 31] PSI -53.0 -25.0 0.0 0.0 0.0 0.0 0.0 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 0.0 0.0 - 1 [ 0.0 .. 1.1] 54-> [THR A 42] PSI -57.0 -37.0 0.0 0.0 0.0 0.0 0.0 0.0 1.4 0.0 0.0 0.0 0.4 0.0 0.6 0.0 2.3 0.0 0.0 0.0 0.3 0.0 - 5 [ 0.0 .. 2.3] 58-> [TYR A 44] PSI -65.0 -21.0 0.0 0.0 0.0 0.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.2 0.9 0.0 3.0 0.0 0.0 2.7 0.0 - 5 [ 0.0 .. 3.0] 59-> [HIS A 45] PHI -74.0 -54.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.3 0.0 0.0 - 1 [ 0.0 .. 1.3] 60-> [HIS A 45] PSI -50.0 -30.0 0.0 0.0 1.3 0.6 0.2 2.4 0.8 1.9 1.6 1.0 0.1 0.0 0.0 0.0 0.0 0.0 2.0 0.0 0.0 0.5 - 11 [ 0.0 .. 2.4] 78-> [THR A 56] PSI -51.0 -31.0 0.0 0.0 0.0 0.0 1.8 2.9 0.9 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 [ 0.0 .. 2.9] 103-> [VAL A 69] PHI -81.0 -53.0 0.5 0.3 3.1 2.0 5.5 2.3 0.8 2.4 2.3 4.6 1.3 3.6 3.7 1.0 0.4 4.5 2.8 4.6 1.7 3.4 - 20 [ 0.3 .. 5.5] 104-> [VAL A 69] PSI -63.0 -23.0 3.3 2.9 4.1 3.2 2.8 0.9 4.1 4.1 4.0 2.9 3.2 1.5 2.6 3.1 3.5 2.1 3.8 4.5 4.0 3.7 - 20 [ 0.9 .. 4.5] 105-> [ALA A 70] PHI -73.0 -53.0 1.0 1.4 0.1 0.0 1.3 1.5 0.0 0.0 1.3 0.0 0.4 1.5 0.7 0.2 0.3 1.5 0.0 0.3 0.0 2.4 - 14 [ 0.0 .. 2.4] 109-> [GLU A 72] PHI -87.0 -47.0 3.1 1.2 2.3 5.4 4.8 3.3 2.4 3.1 2.0 2.7 1.5 2.4 2.9 2.6 1.0 3.5 2.7 1.7 2.9 5.3 - 20 [ 1.0 .. 5.4] 110-> [GLU A 72] PSI -51.0 -15.0 3.5 5.2 4.0 5.8 3.5 2.5 4.7 1.5 4.4 0.6 3.0 4.0 3.7 3.2 3.2 3.6 2.7 5.4 2.8 5.0 - 20 [ 0.6 .. 5.8] 114-> [LYS A 77] PSI -49.0 -29.0 1.6 0.8 0.2 0.3 1.4 0.0 0.0 3.4 1.9 0.0 1.2 0.0 0.0 1.5 0.7 1.0 0.5 0.0 1.9 1.9 - 14 [ 0.0 .. 3.4] 123-> [LEU A 82] PHI -73.0 -49.0 0.7 1.0 0.4 0.4 0.0 0.0 0.4 0.0 0.9 0.0 0.0 0.2 1.0 1.0 0.0 0.0 1.8 0.9 0.0 0.0 - 11 [ 0.0 .. 1.8] 135-> [LYS A 88] PHI -74.0 -54.0 0.0 0.0 1.2 0.4 0.0 2.4 0.0 0.0 1.0 0.7 0.0 2.1 1.2 2.9 2.8 0.9 2.0 0.0 1.4 1.3 - 13 [ 0.0 .. 2.9] 139-> [GLU A 90] PHI -89.0 -53.0 0.0 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 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 3.0] 143-> [TYR A 39] CHI2 40.0 90.0 0.0 121.7 123.6 127.4 126.9 1.0 123.4 127.5 125.2 0.0 128.9 118.6 0.6 128.3 128.5 0.0 0.0 126.3 0.0 123.8 - 15 [ 0.0 .. 128.9] ---- 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 8 4 8 9 6 8 10 5 6 7 8 6 4 9 9 7 7 9 7.20 > 10. degrees : 0 1 1 1 1 0 1 1 1 0 1 1 0 1 1 0 0 1 0 1 0.65 Total : 9 12 14 11 11 13 12 9 12 12 11 13 12 12 12 12 12 11 9 13 11.60 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 : 3.5 121.7 123.6 127.4 126.9 3.3 123.4 127.5 125.2 4.6 128.9 118.6 3.7 128.3 128.5 4.5 3.8 126.3 4.0 123.8 128.91 Max PHI Viol : 3.1 2.7 3.1 5.4 5.5 3.3 3.0 3.1 2.3 4.6 1.5 3.6 3.7 3.0 2.8 4.5 2.8 4.6 2.9 5.3 5.49 Max PSI Viol : 3.5 5.2 4.1 5.8 3.5 2.9 4.7 4.1 4.4 2.9 3.2 4.0 3.7 3.2 3.5 3.6 3.8 5.4 4.0 5.0 5.79 Max CHI2 Viol : 0.0 121.7 123.6 127.4 126.9 1.0 123.4 127.5 125.2 0.0 128.9 118.6 0.6 128.3 128.5 0.0 0.0 126.3 0.0 123.8 128.91 Average Violation : 0.1 1.0 1.0 1.0 1.1 0.2 1.0 1.0 1.0 0.1 1.0 1.0 0.2 1.0 1.0 0.2 0.2 1.0 0.1 1.1 0.716 Avge PHI Viol : 0.333 0.307 0.367 0.349 0.441 0.420 0.317 0.339 0.355 0.388 0.246 0.425 0.405 0.389 0.252 0.419 0.389 0.387 0.291 0.472 0.369 Avge PSI Viol : 0.367 0.433 0.436 0.374 0.380 0.394 0.437 0.418 0.439 0.283 0.356 0.311 0.378 0.364 0.384 0.457 0.411 0.400 0.415 0.427 0.395 Avge CHI2 Viol : 0.000 11.032 11.117 11.286 11.265 0.980 11.109 11.292 11.189 0.000 11.354 10.891 0.746 11.329 11.335 0.000 0.000 11.238 0.000 11.126 9.032 RMS Violation : 0.562 10.198 10.360 10.677 10.640 0.636 10.341 10.683 10.489 0.560 10.789 9.937 0.649 10.749 10.757 0.742 0.620 10.588 0.584 10.386 8.481 RMS PHI Viol : 0.500 0.409 0.543 0.683 0.917 0.654 0.470 0.562 0.458 0.695 0.273 0.667 0.644 0.609 0.359 0.751 0.589 0.651 0.436 0.900 0.610 RMS PSI Viol : 0.621 0.834 0.837 0.787 0.596 0.612 0.799 0.714 0.793 0.384 0.555 0.524 0.654 0.576 0.635 0.739 0.653 0.846 0.705 0.797 0.694 RMS CHI2 Viol : 0.000 121.698 123.598 127.381 126.898 0.961 123.409 127.516 125.192 0.000 128.908 118.608 0.556 128.345 128.492 0.000 0.000 126.295 0.000 123.787 101.124 Final --global-- Summary for 20 models, 143 ACOs/model, 2860 ACOs total ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Summ. Viol. : 2047.47 Summ. Sq. Viol. : 205734.09 Max. Viol. : 128.908 Avg. Viol. : 0.71590 RMS Viol. : 8.48145 Std. Dev. Viol. : 8.45118