1-> [VAL A 7] PHI -72.0 -36.0 0.0 3.0 0.0 12.4 0.0 8.3 0.0 4.4 0.0 4.6 2.3 6.3 0.0 2.8 0.0 4.7 0.0 5.6 8.6 0.0 - 11 [ 0.0 .. 12.4] 3-> [TYR A 9] PHI -77.0 -57.0 0.0 0.0 0.5 0.0 0.0 3.9 8.5 2.3 0.0 0.0 0.0 0.0 19.2 0.0 14.3 0.0 8.3 0.0 7.1 0.0 - 8 [ 0.0 .. 19.2] 4-> [TYR A 9] PSI -58.0 -22.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.9 3.8 23.1 0.0 0.0 2.8 - 4 [ 0.0 .. 23.1] 5-> [PHE A 10] PHI -81.0 -49.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.9 0.0 0.0 0.0 33.3 4.9 0.0 9.0 - 4 [ 0.0 .. 33.3] 6-> [PHE A 10] PSI -51.0 -31.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.6 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 2.6] 7-> [ILE A 11] PHI -75.0 -55.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.9 0.0 0.0 0.0 20.2 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 20.2] 8-> [ILE A 11] PSI -54.0 -34.0 0.0 4.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 13.4 1.7 9.2 0.0 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 13.4] 11-> [ASN A 13] PHI -73.0 -53.0 0.4 0.0 0.0 0.0 1.8 0.0 0.0 0.0 0.0 1.2 0.0 1.7 10.0 0.0 0.0 0.0 0.0 0.0 0.0 2.3 - 6 [ 0.0 .. 10.0] 12-> [ASN A 13] PSI -52.0 -32.0 4.1 0.0 0.0 0.0 0.9 0.0 0.0 0.4 0.0 0.0 0.0 0.0 0.8 0.0 1.0 8.6 0.0 0.0 1.1 0.6 - 8 [ 0.0 .. 8.6] 13-> [LEU A 14] PHI -73.0 -49.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 9.4 0.0 0.0 3.4 0.0 0.0 0.0 0.0 32.3 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 32.3] 14-> [LEU A 14] PSI -57.0 -37.0 0.0 9.2 0.0 1.3 8.0 0.0 0.0 12.1 2.9 1.8 14.8 3.9 0.0 6.6 12.2 44.1 0.5 7.2 0.0 5.4 - 14 [ 0.0 .. 44.1] 16-> [LYS A 15] PSI -52.0 -32.0 3.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.5 0.0 12.8 5.2 0.0 0.0 3.2 10.8 0.0 2.2 1.8 5.1 - 9 [ 0.0 .. 12.8] 17-> [GLN A 16] PHI -80.0 -56.0 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 0.0 0.0 0.0 0.0 5.2 0.0 0.0 - 2 [ 0.0 .. 5.2] 18-> [GLN A 16] PSI -54.0 -30.0 17.0 0.6 0.0 0.0 0.0 0.0 0.0 2.5 27.2 0.0 13.0 11.5 0.0 0.0 14.3 2.1 0.0 22.8 0.0 10.0 - 10 [ 0.0 .. 27.2] 19-> [HIS A 17] PHI -80.0 -52.0 30.8 0.2 0.0 0.0 20.0 0.0 0.0 0.0 48.7 0.0 42.8 33.9 0.0 0.0 39.3 0.0 0.0 32.1 13.4 31.2 - 10 [ 0.0 .. 48.7] 20-> [HIS A 17] PSI -52.0 -26.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 20.9 6.1 16.1 10.7 0.0 0.0 18.5 0.0 5.9 4.5 2.8 8.7 - 9 [ 0.0 .. 20.9] 21-> [ILE A 18] PHI -74.0 -54.0 5.4 31.1 0.0 0.0 0.0 0.0 0.0 30.6 25.2 0.0 21.3 28.1 0.0 9.5 30.6 30.8 17.2 37.0 0.0 26.6 - 12 [ 0.0 .. 37.0] 22-> [ILE A 18] PSI -54.0 -34.0 0.0 2.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.1 0.0 0.0 2.7 0.0 0.0 4.1 0.0 5.6 - 5 [ 0.0 .. 5.6] 23-> [GLU A 19] PHI -76.0 -48.0 6.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 15.5 2.4 0.0 4.2 0.0 0.0 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 15.5] 24-> [GLU A 19] PSI -51.0 -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 9.1 0.0 0.0 0.0 0.0 8.5 0.0 - 2 [ 0.0 .. 9.1] 25-> [ILE A 27] PHI -83.0 -51.0 0.0 14.7 27.7 19.2 32.1 37.0 6.9 0.0 11.0 30.1 15.5 0.0 0.0 33.1 28.0 0.0 23.1 31.8 19.2 23.6 - 15 [ 0.0 .. 37.0] 26-> [ILE A 27] PSI -55.0 -15.0 0.9 0.0 0.0 0.0 0.0 13.9 0.0 0.0 0.0 5.8 0.0 0.0 0.0 5.0 0.0 0.0 0.0 0.0 4.4 0.8 - 7 [ 0.0 .. 13.9] 27-> [HIS A 28] PHI -92.0 -52.0 0.0 0.0 7.5 0.0 0.0 2.7 0.0 0.0 0.0 11.7 0.0 8.5 0.3 12.1 0.0 0.0 0.0 0.0 16.8 10.3 - 8 [ 0.0 .. 16.8] 28-> [HIS A 28] PSI -79.0 17.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 7.6] 31-> [MET A 30] PHI -72.0 -52.0 0.0 0.0 0.0 2.1 0.0 0.0 0.0 0.0 2.8 0.0 8.4 18.0 2.9 18.0 2.6 1.0 0.0 0.0 1.0 0.0 - 9 [ 0.0 .. 18.0] 32-> [MET A 30] PSI -53.0 -33.0 7.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.1 13.8 13.0 0.0 15.8 0.0 2.9 0.0 0.0 2.3 0.5 - 8 [ 0.0 .. 15.8] 33-> [ASN A 31] PHI -78.0 -56.0 10.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 10.3] 34-> [ASN A 31] PSI -56.0 -20.0 0.0 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 1.5 0.0 - 2 [ 0.0 .. 3.3] 35-> [SER A 32] PHI -84.0 -52.0 0.0 0.0 0.0 1.2 0.0 0.0 0.0 0.0 4.0 23.6 23.2 13.2 6.1 29.1 5.9 0.0 0.0 0.0 7.1 6.1 - 10 [ 0.0 .. 29.1] 36-> [SER A 32] PSI -51.0 -23.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.7 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 3.7] 37-> [TYR A 33] PHI -80.0 -52.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10.3 0.0 0.0 0.0 15.0 0.0 - 2 [ 0.0 .. 15.0] 38-> [TYR A 33] PSI -61.0 -21.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 9.5 0.0 - 1 [ 0.0 .. 9.5] 40-> [TYR A 34] PSI -55.0 -31.0 0.0 0.0 0.0 4.2 2.3 4.4 0.1 2.6 0.0 0.4 0.6 0.0 2.5 3.5 0.0 0.0 0.0 5.1 0.0 0.0 - 10 [ 0.0 .. 5.1] 41-> [ARG A 35] PHI -72.0 -48.0 0.0 0.0 0.0 0.0 0.0 0.6 0.0 0.0 0.0 0.0 3.3 1.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 3.3] 42-> [ARG A 35] PSI -63.0 -27.0 0.0 0.0 0.0 0.0 0.0 0.5 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 - 2 [ 0.0 .. 1.3] 43-> [SER A 36] 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 0.0 16.4 0.0 - 1 [ 0.0 .. 16.4] 44-> [SER A 36] PSI -53.0 -29.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5.7 0.0 - 2 [ 0.0 .. 5.7] 45-> [VAL A 37] PHI -76.0 -52.0 0.0 0.0 0.0 0.0 1.0 0.0 0.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.1 16.7 0.0 - 4 [ 0.0 .. 16.7] 48-> [VAL A 38] PSI -57.0 -33.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7.8 0.0 - 1 [ 0.0 .. 7.8] 49-> [SER A 39] PHI -69.0 -49.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 18.7 0.0 0.0 10.5 0.0 0.0 0.0 1.8 0.0 0.0 20.4 0.0 - 4 [ 0.0 .. 20.4] 50-> [SER A 39] PSI -59.0 -19.0 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 0.0 - 1 [ 0.0 .. 6.3] 51-> [THR A 40] PHI -83.0 -51.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.1 0.0 0.0 7.8 0.0 0.0 0.0 31.5 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 31.5] 52-> [THR A 40] PSI -55.0 -27.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 25.0] 54-> [LEU A 41] PSI -49.0 -29.0 2.4 0.0 0.0 0.0 4.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 11.9 0.5 0.0 0.0 0.0 4.9 0.0 - 5 [ 0.0 .. 11.9] 55-> [VAL A 42] PHI -105.0 -49.0 2.1 0.0 1.1 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 6.4 - 3 [ 0.0 .. 6.4] 56-> [VAL A 42] PSI -50.0 22.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.4 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 4.4] 59-> [ALA A 50] PHI -74.0 -54.0 0.0 8.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 8.0] 60-> [ALA A 50] PSI -50.0 -24.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.4 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 2.4] 65-> [LEU A 53] PHI -70.0 -50.0 0.0 0.0 0.0 2.0 0.0 3.5 0.0 0.0 0.0 0.0 3.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 3.5] 67-> [LYS A 54] 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 1.3 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.3] 70-> [ARG A 55] PSI -53.0 -33.0 0.0 2.8 0.0 0.0 3.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10.0 0.7 0.0 0.0 0.0 - 5 [ 0.0 .. 10.0] 71-> [ILE A 56] PHI -76.0 -56.0 0.0 0.0 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 1.2 0.0 0.0 - 2 [ 0.0 .. 1.2] 72-> [ILE A 56] PSI -51.0 -31.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.5 0.0 0.0 0.0 4.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 4.5] 73-> [GLN A 57] PHI -70.0 -50.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 3.9] 75-> [HIS A 58] PHI -77.0 -57.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.6 1.4 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.4] 76-> [HIS A 58] PSI -55.0 -23.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.6 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 4.6] 79-> [ASP A 60] PHI -73.0 -53.0 0.0 0.0 0.0 0.0 2.1 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 - 1 [ 0.0 .. 2.1] 80-> [ASP A 60] PSI -54.0 -30.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 9.1 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 9.1] 82-> [GLU A 61] PSI -58.0 -14.0 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 9.4 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 9.4] 84-> [ALA A 62] PSI -58.0 -34.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.9 11.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 11.9] 86-> [TYR A 63] PSI -56.0 -32.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.9] 87-> [ASN A 64] PHI -71.0 -51.0 0.0 0.0 1.6 0.7 0.0 0.0 0.0 0.8 0.0 0.0 0.0 0.0 0.0 0.0 0.9 0.0 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 1.6] 89-> [LYS A 65] PHI -75.0 -55.0 0.7 0.0 0.0 0.0 0.0 0.0 2.9 0.0 0.0 0.0 0.0 0.0 5.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 5.1] 90-> [LYS A 65] PSI -51.0 -27.0 0.0 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 - 1 [ 0.0 .. 2.0] 91-> [VAL A 66] PHI -74.0 -54.0 0.0 0.3 0.0 0.6 0.0 0.0 0.0 0.3 1.5 11.2 0.0 5.6 0.0 0.0 0.0 1.1 1.1 0.0 1.2 0.0 - 9 [ 0.0 .. 11.2] 93-> [LYS A 67] PHI -71.0 -51.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5.7 0.0 1.1 0.0 0.0 0.0 - 2 [ 0.0 .. 5.7] 94-> [LYS A 67] PSI -56.0 -28.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.5 0.0 0.0 0.0 0.0 0.0 15.4 0.0 9.8 0.0 0.0 0.0 - 3 [ 0.0 .. 15.4] ---- 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 6 3 5 8 5 4 6 8 6 5 14 6 12 11 10 5 10 16 9 7.80 > 10. degrees : 3 2 1 2 2 2 0 2 6 4 10 8 4 6 9 7 4 4 7 5 4.40 Total : 15 12 6 9 11 9 6 14 17 11 16 24 12 19 25 17 11 15 23 18 14.50 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 : 30.8 31.1 27.7 19.2 32.1 37.0 8.5 30.6 48.7 30.1 42.8 33.9 19.2 33.1 39.3 44.1 33.3 37.0 20.4 31.2 48.66 Max PHI Viol : 30.8 31.1 27.7 19.2 32.1 37.0 8.5 30.6 48.7 30.1 42.8 33.9 19.2 33.1 39.3 32.3 33.3 37.0 20.4 31.2 48.66 Max PSI Viol : 17.0 9.2 0.0 4.2 8.0 13.9 2.0 12.1 27.2 6.1 16.1 13.0 13.4 15.8 18.5 44.1 23.1 22.8 9.5 10.0 44.11 Average Violation : 1.0 0.8 0.4 0.5 0.8 0.8 0.2 0.7 1.8 1.0 2.2 2.1 0.8 1.8 2.5 2.4 1.3 1.7 2.0 1.6 1.327 Avge PHI Viol : 1.082 1.093 0.896 0.892 1.099 1.080 0.626 1.036 1.537 1.310 1.700 1.714 0.995 1.508 1.705 1.612 1.323 1.588 1.725 1.557 1.344 Avge PSI Viol : 0.863 0.624 0.023 0.339 0.618 0.626 0.206 0.618 1.151 0.596 1.217 1.115 0.796 1.186 1.467 1.495 0.912 0.979 1.024 0.908 0.920 RMS Violation : 3.959 3.773 2.941 2.401 3.998 4.193 1.178 3.570 7.031 4.368 6.782 5.874 3.037 5.719 7.135 8.101 5.274 6.577 5.117 5.381 5.127 RMS PHI Viol : 4.843 5.110 4.159 3.335 5.475 5.544 1.642 4.708 8.544 6.036 8.433 7.601 3.403 7.262 8.724 8.433 6.467 8.552 6.762 7.226 6.428 RMS PSI Viol : 2.810 1.536 0.004 0.638 1.412 2.103 0.284 1.824 5.085 1.312 4.570 3.352 2.622 3.561 5.072 7.755 3.715 3.657 2.577 2.385 3.355 Final --global-- Summary for 20 models, 96 ACOs/model, 1920 ACOs total ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Summ. Viol. : 2548.63 Summ. Sq. Viol. : 50468.84 Max. Viol. : 48.658 Avg. Viol. : 1.32741 RMS Viol. : 5.12697 Std. Dev. Viol. : 4.95216