11-> [THR A 5] PSI 55.0 -45.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 25.4 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 .. 25.4] 13-> [PRO A 6] PSI 45.0 15.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 4.8] 16-> [PHE A 7] PHI 155.0 85.0 0.0 0.0 4.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.3 0.0 0.0 0.0 15.3 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 15.3] 17-> [PHE A 7] PSI -105.0 -135.0 0.0 0.0 0.0 0.0 0.0 9.8 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 - 1 [ 0.0 .. 9.8] 19-> [SER A 8] PHI 145.0 95.0 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 0.0 - 1 [ 0.0 .. 2.0] 111-> [ARG A 47] PSI -105.0 -135.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 0.0 0.0 9.6 0.0 2.6 0.0 0.0 0.0 - 3 [ 0.0 .. 10.0] 127-> [ASP A 53] PSI -105.0 -145.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 15.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 15.3] 136-> [VAL A 56] PSI 75.0 35.0 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 0.0 0.0 - 1 [ 0.0 .. 1.8] 189-> [ASP A 76] PSI -105.0 -145.0 0.0 10.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 17.6 0.0 0.0 14.3 0.0 0.0 11.0 0.0 - 4 [ 0.0 .. 17.6] 225-> [ARG A 91] PSI -105.0 -135.0 0.0 0.0 0.0 0.0 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 - 1 [ 0.0 .. 3.0] 227-> [PHE A 92] PHI 155.0 85.0 0.0 0.0 0.0 0.0 0.0 3.4 0.0 0.0 0.0 0.0 0.0 7.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 7.5] 230-> [PRO A 93] PSI 115.0 -35.0 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 0.0 0.0 - 1 [ 0.0 .. 3.0] 276-> [HIS A 111] PSI 55.0 -45.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5.1 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 5.1] 280-> [TRP A 113] PHI 35.0 -35.0 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 0.0 0.0 0.0 - 1 [ 0.0 .. 3.2] 306-> [VAL A 124] PSI -115.0 35.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.1 0.0 - 1 [ 0.0 .. 4.1] 309-> [ASP A 125] PSI -95.0 5.0 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 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.2] 341-> [THR A 5] PSI 55.0 -45.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 25.4 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 .. 25.4] 343-> [PRO A 6] PSI 45.0 15.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 4.8] 346-> [PHE A 7] PHI 155.0 85.0 0.0 0.0 4.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.3 0.0 0.0 0.0 15.3 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 15.3] 347-> [PHE A 7] PSI -105.0 -135.0 0.0 0.0 0.0 0.0 0.0 9.8 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 - 1 [ 0.0 .. 9.8] 349-> [SER A 8] PHI 145.0 95.0 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 0.0 - 1 [ 0.0 .. 2.0] 441-> [ARG A 47] PSI -105.0 -135.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 0.0 0.0 9.6 0.0 2.6 0.0 0.0 0.0 - 3 [ 0.0 .. 10.0] 457-> [ASP A 53] PSI -105.0 -145.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 15.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 15.3] 466-> [VAL A 56] PSI 115.0 5.0 0.0 41.8 0.0 0.0 37.6 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 0.0 - 2 [ 0.0 .. 41.8] 519-> [ASP A 76] PSI -105.0 -145.0 0.0 10.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 17.6 0.0 0.0 14.3 0.0 0.0 11.0 0.0 - 4 [ 0.0 .. 17.6] 555-> [ARG A 91] PSI -105.0 -135.0 0.0 0.0 0.0 0.0 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 - 1 [ 0.0 .. 3.0] 557-> [PHE A 92] PHI 155.0 85.0 0.0 0.0 0.0 0.0 0.0 3.4 0.0 0.0 0.0 0.0 0.0 7.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 7.5] 560-> [PRO A 93] PSI 115.0 -35.0 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 0.0 0.0 - 1 [ 0.0 .. 3.0] 606-> [HIS A 111] PSI 55.0 -45.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5.1 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 5.1] 610-> [TRP A 113] PHI 35.0 -35.0 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 0.0 0.0 0.0 - 1 [ 0.0 .. 3.2] 636-> [VAL A 124] PSI -115.0 35.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.1 0.0 - 1 [ 0.0 .. 4.1] 639-> [ASP A 125] PSI -95.0 5.0 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 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.2] ---- 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 : 2 1 2 2 0 6 0 0 0 0 2 4 2 0 2 2 4 0 2 0 1.55 > 10. degrees : 0 3 0 0 1 0 0 2 2 2 0 0 2 0 2 2 0 0 2 0 0.90 Total : 2 4 2 2 1 6 0 2 2 2 2 6 4 0 4 4 4 0 4 0 2.55 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 : 1.2 41.8 4.9 3.2 37.6 9.8 0.0 25.4 10.0 15.3 2.3 7.5 17.6 0.0 15.3 14.3 3.0 0.0 11.0 0.0 41.75 Max PHI Viol : 0.0 0.0 4.9 3.2 0.0 3.4 0.0 0.0 0.0 0.0 2.3 7.5 0.0 0.0 15.3 0.0 0.0 0.0 0.0 0.0 15.34 Max PSI Viol : 1.2 41.8 0.0 0.0 37.6 9.8 0.0 25.4 10.0 15.3 0.0 3.0 17.6 0.0 9.6 14.3 3.0 0.0 11.0 0.0 41.75 Average Violation : 0.0 0.1 0.0 0.0 0.1 0.0 0.0 0.1 0.0 0.0 0.0 0.0 0.1 0.0 0.1 0.1 0.0 0.0 0.0 0.0 0.034 Avge PHI Viol : 0.000 0.000 0.159 0.128 0.000 0.166 0.000 0.000 0.000 0.000 0.110 0.199 0.000 0.000 0.281 0.000 0.000 0.000 0.000 0.000 0.100 Avge PSI Viol : 0.095 0.490 0.000 0.000 0.373 0.270 0.000 0.434 0.273 0.337 0.000 0.150 0.407 0.000 0.267 0.379 0.204 0.000 0.335 0.000 0.264 RMS Violation : 0.067 1.729 0.272 0.175 1.464 0.583 0.000 1.397 0.553 0.844 0.129 0.446 1.004 0.000 0.997 0.835 0.219 0.000 0.649 0.000 0.772 RMS PHI Viol : 0.000 0.000 0.354 0.228 0.000 0.281 0.000 0.000 0.000 0.000 0.168 0.538 0.000 0.000 1.099 0.000 0.000 0.000 0.000 0.000 0.298 RMS PSI Viol : 0.105 2.704 0.000 0.000 2.288 0.847 0.000 2.184 0.864 1.319 0.000 0.262 1.569 0.000 0.827 1.305 0.342 0.000 1.014 0.000 1.153 Final --global-- Summary for 20 models, 660 ACOs/model, 13200 ACOs total ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Summ. Viol. : 454.21 Summ. Sq. Viol. : 7875.77 Max. Viol. : 41.755 Avg. Viol. : 0.03441 RMS Viol. : 0.77243 Std. Dev. Viol. : 0.77166