4-> [PHE A 6] PSI 113.2 160.0 0.0 1.7 0.0 2.0 0.4 1.5 0.6 0.6 0.0 0.0 0.3 0.2 0.4 0.0 1.8 0.0 0.0 1.0 0.0 0.0 - 11 [ 0.0 .. 2.0] 10-> [LEU A 9] PSI 126.4 180.0 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 0.5 0.1 0.0 0.0 0.0 0.2 0.0 - 4 [ 0.0 .. 1.8] 16-> [LYS A 14] PSI 104.4 171.4 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 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.3] 17-> [VAL A 15] PHI -104.2 -64.2 0.0 0.0 0.0 0.0 0.0 0.5 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.8 0.6 0.0 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 1.0] 20-> [GLN A 16] PSI -58.5 -18.5 0.4 0.0 1.1 0.0 0.0 0.0 0.0 0.0 0.7 0.0 0.0 0.0 0.2 1.7 0.0 0.0 0.0 0.0 0.0 0.0 - 5 [ 0.0 .. 1.7] 22-> [PHE A 18] PSI 105.7 145.7 0.4 3.2 1.3 1.1 1.5 0.6 0.4 0.3 0.0 1.6 1.3 1.4 1.3 0.5 0.0 0.9 2.7 3.4 0.3 0.0 - 17 [ 0.0 .. 3.4] 23-> [ASP A 19] PHI -132.1 -31.5 1.1 2.2 1.2 0.0 0.0 1.8 0.6 0.0 0.0 0.0 0.5 0.0 0.4 0.0 0.6 0.4 2.2 2.5 0.0 0.0 - 11 [ 0.0 .. 2.5] 34-> [GLU A 26] PSI 101.7 141.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.9 0.0 1.1 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.1] 35-> [THR A 27] PHI -123.4 -68.8 2.3 0.4 0.0 0.0 0.0 0.0 0.2 0.0 0.0 0.0 0.0 1.4 0.0 0.0 0.0 1.8 1.7 0.0 0.0 0.0 - 6 [ 0.0 .. 2.3] 36-> [THR A 27] PSI 150.2 -165.2 0.0 1.8 4.5 0.8 0.0 0.0 0.0 0.0 0.0 2.6 3.8 3.1 0.0 0.0 0.0 1.0 1.1 0.0 0.0 1.7 - 9 [ 0.0 .. 4.5] 39-> [LEU A 32] PHI -137.2 -97.2 2.2 0.0 0.8 0.0 2.3 0.2 0.8 0.8 0.8 0.0 0.6 1.2 4.0 0.4 0.0 0.0 0.0 0.6 0.0 0.0 - 12 [ 0.0 .. 4.0] 44-> [ILE A 34] PSI 111.3 151.3 0.0 0.0 0.0 0.7 0.0 0.9 0.0 0.0 0.0 0.0 1.7 0.8 0.0 0.0 0.0 1.2 0.0 0.0 0.0 0.7 - 7 [ 0.0 .. 1.7] 50-> [GLU A 37] PSI 135.4 178.6 0.7 0.4 0.0 0.0 0.0 0.0 0.6 0.0 0.1 0.0 0.0 0.0 0.0 1.2 0.0 0.0 0.0 0.0 0.0 1.7 - 6 [ 0.0 .. 1.7] 52-> [LEU A 39] PSI -70.2 69.8 3.4 3.5 6.2 3.2 3.3 3.4 2.2 2.3 3.1 3.4 2.8 3.6 5.5 2.7 2.5 1.9 3.9 4.0 1.5 3.6 - 20 [ 1.5 .. 6.2] 54-> [GLN A 50] PSI 110.7 159.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.6 0.0 0.0 0.0 0.0 0.0 1.1 0.0 0.0 - 3 [ 0.0 .. 1.1] 58-> [GLU A 52] PSI 107.2 162.8 0.0 0.0 0.0 0.7 0.0 0.9 0.6 0.0 1.2 0.0 0.0 0.2 1.9 0.0 0.0 0.0 0.0 0.5 1.2 0.0 - 8 [ 0.0 .. 1.9] 62-> [GLU A 54] PSI 126.0 -178.4 0.0 1.5 0.0 0.4 0.0 0.2 0.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.6 0.0 0.0 0.0 0.4 - 6 [ 0.0 .. 1.5] 68-> [ILE A 57] PSI 110.9 150.9 0.0 0.0 1.1 0.0 0.0 0.0 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 - 2 [ 0.0 .. 1.1] 72-> [LEU A 60] PSI 114.7 -175.1 0.0 0.0 2.3 0.0 0.7 0.0 0.0 0.0 0.0 0.7 0.0 0.0 0.0 0.0 0.0 1.1 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 2.3] 74-> [VAL A 61] PSI 113.3 160.9 1.5 0.0 0.5 0.0 0.0 0.0 0.0 0.0 0.0 0.9 0.0 0.0 0.0 0.0 1.2 0.0 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 1.5] 75-> [TYR A 62] PHI -144.2 -104.2 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.3 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.3] 76-> [TYR A 62] PSI 99.7 160.3 0.0 0.0 0.0 1.8 0.0 0.0 0.0 0.2 0.0 0.0 0.0 0.0 0.0 1.2 0.0 1.7 0.0 0.0 2.9 0.0 - 5 [ 0.0 .. 2.9] ---- 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 : 5 6 7 4 3 3 1 1 2 5 4 6 4 6 3 6 5 4 3 3 4.05 > 10. degrees : 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00 Total : 9 12 11 9 10 11 12 9 9 12 9 13 11 12 11 10 7 8 10 8 10.15 Minimum Violation : -571.1 -571.1 -571.1 -571.1 -571.1 -571.1 -571.1 -571.1 -571.1 -571.1 -571.1 -571.1 -571.1 -571.1 -571.1 -571.1 -571.1 -571.1 -571.1 -571.1 -571.10 Maximum Violation : 3.4 3.5 6.2 3.2 3.3 3.4 2.2 2.3 3.1 3.4 3.8 3.6 5.5 2.7 2.5 1.9 3.9 4.0 2.9 3.6 6.15 Max PHI Viol : 2.3 2.2 1.2 0.2 2.3 1.8 0.8 1.0 0.8 1.0 0.6 1.4 4.0 1.3 0.9 1.8 2.2 2.5 0.7 0.5 4.00 Max PSI Viol : 3.4 3.5 6.2 3.2 3.3 3.4 2.2 2.3 3.1 3.4 3.8 3.6 5.5 2.7 2.5 1.9 3.9 4.0 2.9 3.6 6.15 Average Violation : 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.0 0.0 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.077 Avge PHI Viol : 0.389 0.289 0.255 0.063 0.320 0.274 0.213 0.262 0.198 0.271 0.204 0.264 0.366 0.307 0.267 0.246 0.341 0.299 0.150 0.147 0.267 Avge PSI Viol : 0.407 0.581 0.675 0.532 0.428 0.454 0.406 0.327 0.375 0.558 0.510 0.574 0.493 0.481 0.464 0.467 0.465 0.511 0.429 0.460 0.486 RMS Violation : 0.409 0.494 0.681 0.370 0.370 0.362 0.238 0.235 0.284 0.430 0.426 0.457 0.583 0.343 0.314 0.310 0.461 0.490 0.292 0.359 0.410 RMS PHI Viol : 0.545 0.372 0.250 0.024 0.407 0.311 0.173 0.229 0.150 0.230 0.149 0.305 0.657 0.296 0.225 0.303 0.461 0.423 0.123 0.093 0.325 RMS PSI Viol : 0.610 0.916 1.338 0.739 0.618 0.654 0.443 0.409 0.549 0.830 0.839 0.861 0.964 0.619 0.586 0.541 0.799 0.883 0.572 0.711 0.753 Final --global-- Summary for 20 models, 152 ACOs/model, 3040 ACOs total ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Summ. Viol. : 233.94 Summ. Sq. Viol. : 511.68 Max. Viol. : 6.154 Avg. Viol. : 0.07695 RMS Viol. : 0.41026 Std. Dev. Viol. : 0.40298