1-> [GLU A 2] PHI -135.0 -88.2 0.0 0.1 0.5 0.0 0.0 0.0 0.0 0.1 0.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.6 - 5 [ 0.0 .. 1.6] 3-> [PHE A 3] PHI -138.5 -113.7 0.0 0.8 1.5 0.0 0.0 0.0 0.5 0.6 0.0 0.0 0.9 0.0 0.0 0.0 0.0 0.0 0.0 0.7 1.1 0.0 - 7 [ 0.0 .. 1.5] 5-> [PRO A 4] PSI 136.4 172.8 2.4 3.0 3.2 1.4 1.2 2.9 2.6 1.0 0.3 0.6 2.1 2.2 1.1 1.2 1.6 0.0 0.9 0.6 1.7 1.7 - 19 [ 0.0 .. 3.2] 9-> [VAL A 8] PSI 149.2 165.2 1.2 0.6 1.3 1.3 1.5 0.3 1.0 0.7 0.5 0.6 1.1 2.3 0.8 0.8 1.1 0.0 0.0 0.3 0.0 1.4 - 17 [ 0.0 .. 2.3] 15-> [LYS A 11] PSI 132.3 162.3 0.0 0.0 0.0 0.0 0.0 0.0 0.7 0.0 0.0 0.3 0.0 0.0 0.0 0.0 0.2 0.0 0.0 0.0 0.0 1.3 - 4 [ 0.0 .. 1.3] 19-> [VAL A 16] PSI 136.2 163.1 0.3 0.0 0.8 0.1 1.0 0.1 0.0 0.0 0.0 0.4 0.0 0.0 0.0 0.0 0.0 0.2 1.1 0.3 0.0 0.2 - 11 [ 0.0 .. 1.1] 27-> [ALA A 22] PSI 133.0 156.2 0.0 0.0 0.0 0.0 0.0 0.0 0.3 0.3 0.8 0.3 0.6 1.5 0.4 0.7 0.3 0.2 0.0 0.0 0.0 0.0 - 10 [ 0.0 .. 1.5] 30-> [TYR A 24] PHI -141.9 -123.4 1.5 1.1 0.0 1.1 0.8 1.2 1.0 0.0 1.2 0.0 0.0 0.9 1.9 0.0 0.6 1.5 1.4 0.0 0.0 0.0 - 12 [ 0.0 .. 1.9] 31-> [TYR A 24] PSI 151.3 166.2 1.1 0.3 0.0 0.4 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 0.0 - 4 [ 0.0 .. 1.1] 32-> [GLU A 25] PHI -142.8 -122.0 0.2 0.8 2.1 1.1 0.6 1.6 0.7 2.7 1.9 2.0 2.3 1.6 1.7 1.7 1.9 1.0 1.6 2.4 2.2 1.4 - 20 [ 0.2 .. 2.7] 33-> [GLU A 25] PSI 128.1 157.9 0.0 0.6 0.7 0.8 0.4 0.8 0.5 0.5 0.9 0.6 0.1 0.5 1.0 0.6 0.8 0.0 0.3 0.3 0.5 0.3 - 18 [ 0.0 .. 1.0] 35-> [VAL A 26] PSI 115.1 130.4 0.3 2.0 2.1 0.0 1.3 1.0 1.6 2.5 2.4 2.3 2.0 1.8 1.4 0.0 0.3 0.0 2.5 0.0 2.1 0.0 - 15 [ 0.0 .. 2.5] 38-> [VAL A 28] PHI -124.1 -106.6 0.0 0.8 0.0 0.0 0.0 0.0 1.1 0.0 0.0 0.0 0.1 0.4 0.0 0.0 1.0 0.0 0.5 0.4 0.5 0.0 - 9 [ 0.0 .. 1.1] 39-> [VAL A 28] PSI 123.9 136.0 1.0 0.4 1.8 0.0 0.9 1.5 0.8 0.0 0.0 0.0 0.2 0.7 1.1 0.4 0.0 0.0 0.0 1.1 0.0 1.4 - 12 [ 0.0 .. 1.8] 43-> [ASN A 30] PSI 130.4 162.2 0.0 3.7 3.1 3.9 2.0 2.9 2.0 3.2 1.9 3.4 1.8 3.5 2.3 2.8 2.9 1.7 3.0 1.7 3.2 1.8 - 19 [ 0.0 .. 3.9] 44-> [GLY A 33] PHI 46.9 87.4 1.3 0.2 0.0 0.5 0.2 0.0 0.1 0.0 0.0 0.4 0.1 0.4 0.0 0.4 0.5 0.0 0.0 0.0 0.8 0.1 - 12 [ 0.0 .. 1.3] 46-> [ILE A 34] PHI -136.9 -108.4 0.0 1.2 1.6 0.0 0.8 2.8 0.0 0.6 0.0 0.0 0.6 0.2 0.8 0.0 1.3 0.0 0.0 0.8 0.5 0.5 - 12 [ 0.0 .. 2.8] 49-> [VAL A 36] PSI 114.4 154.0 0.0 0.0 0.0 0.0 0.7 0.0 0.8 0.0 0.6 0.8 0.0 0.0 0.0 1.4 0.0 0.0 0.4 0.0 1.2 1.4 - 9 [ 0.0 .. 1.4] 50-> [PRO A 37] PSI -28.8 -12.2 1.7 0.1 1.8 0.9 2.5 0.8 1.9 0.2 1.1 1.7 1.3 0.0 2.4 1.3 1.2 1.0 2.4 2.0 1.4 0.8 - 20 [ 0.0 .. 2.5] 51-> [SER A 38] PHI -111.9 -82.0 0.0 0.4 1.4 1.4 0.0 0.9 1.6 0.0 0.8 0.0 0.8 1.0 0.3 0.0 1.0 1.3 1.1 0.0 0.0 1.8 - 15 [ 0.0 .. 1.8] 52-> [SER A 38] PSI -20.9 5.0 8.3 8.5 7.5 6.4 7.0 6.4 7.0 8.4 7.1 8.2 6.9 6.7 7.0 8.3 6.5 6.8 5.6 6.9 6.2 6.6 - 20 [ 5.6 .. 8.5] 53-> [THR A 39] PHI -128.9 -96.1 8.7 9.6 8.5 6.6 8.3 9.2 7.6 9.6 7.2 8.3 7.2 7.5 8.9 8.7 7.2 7.5 8.0 7.3 6.0 7.8 - 20 [ 6.0 .. 9.6] 57-> [VAL A 41] PHI -130.9 -104.9 0.0 0.6 0.0 0.0 0.0 0.6 0.0 0.0 0.0 0.0 0.0 0.0 0.3 0.0 0.0 0.0 0.7 0.0 0.0 1.2 - 5 [ 0.0 .. 1.2] 59-> [ARG A 42] PHI -141.1 -115.7 0.0 0.0 0.0 0.0 0.0 0.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.2 0.0 0.0 0.0 - 3 [ 0.0 .. 1.2] 61-> [VAL A 43] PHI -139.2 -122.2 1.3 2.0 1.6 0.9 1.2 0.6 1.1 2.0 1.3 1.0 1.0 1.0 1.7 0.2 1.8 0.6 0.0 1.9 1.3 1.7 - 19 [ 0.0 .. 2.0] 62-> [VAL A 43] PSI 120.7 146.8 0.0 0.5 0.0 0.5 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 0.2 0.0 0.0 - 5 [ 0.0 .. 1.0] 64-> [TYR A 44] PSI 137.7 163.4 0.9 0.3 0.6 0.0 0.0 0.0 0.9 0.9 0.0 0.2 0.7 1.2 0.0 0.6 0.0 0.0 0.0 0.0 1.2 0.7 - 11 [ 0.0 .. 1.2] 68-> [ASN A 46] PSI 35.1 48.0 0.2 0.6 1.0 0.0 1.0 1.2 0.4 0.1 0.0 1.5 1.0 1.3 0.4 0.7 1.0 0.2 0.3 0.6 1.4 0.2 - 18 [ 0.0 .. 1.5] 74-> [TYR A 50] PSI -42.6 -33.4 2.6 1.3 1.0 0.7 1.4 0.8 2.8 1.3 1.3 1.4 2.5 1.0 1.0 0.5 1.1 2.5 2.8 1.5 1.2 1.5 - 20 [ 0.5 .. 2.8] 75-> [LYS A 51] PHI -169.7 -145.5 0.3 0.0 0.0 0.0 0.0 0.0 2.2 0.0 0.0 0.0 0.8 0.0 0.0 0.0 0.0 1.6 1.3 0.7 0.0 0.0 - 6 [ 0.0 .. 2.2] 80-> [TRP A 53] PSI 133.9 148.6 0.0 0.2 0.1 0.0 0.3 0.7 0.6 0.8 0.0 0.0 0.0 0.0 0.2 0.9 0.2 0.9 0.0 0.5 0.0 1.1 - 13 [ 0.0 .. 1.1] 82-> [THR A 54] PSI 120.6 150.1 1.4 2.1 2.5 2.4 1.4 1.9 1.7 1.4 2.8 2.5 3.6 1.5 1.3 0.6 3.4 1.1 2.0 1.3 1.8 1.1 - 20 [ 0.6 .. 3.6] 84-> [VAL A 55] PSI 161.4 172.5 0.3 1.0 2.1 0.4 1.4 1.0 0.5 0.9 1.9 0.8 1.5 2.3 0.9 0.5 0.4 1.1 0.0 0.3 0.0 1.1 - 19 [ 0.0 .. 2.3] 86-> [SER A 56] PSI 134.1 153.7 1.7 0.0 0.0 0.0 0.5 1.5 0.9 0.0 0.0 1.2 0.4 0.0 0.0 0.0 0.2 0.0 0.7 0.2 0.1 0.0 - 10 [ 0.0 .. 1.7] 87-> [LEU A 57] PHI -148.0 -118.6 0.3 0.4 1.1 1.6 1.3 0.3 0.0 1.2 0.0 0.0 1.6 0.8 1.2 0.0 0.0 1.0 0.1 1.8 0.0 0.9 - 14 [ 0.0 .. 1.8] 88-> [LEU A 57] PSI 121.8 141.8 2.1 2.0 0.4 2.2 1.4 2.8 2.2 1.7 2.4 0.3 1.4 1.2 3.0 2.9 1.4 2.8 2.9 1.4 2.7 1.7 - 20 [ 0.3 .. 3.0] 91-> [GLU A 62] PHI -134.6 -104.7 0.0 0.6 0.0 0.0 0.0 0.4 0.5 0.9 0.3 0.0 0.4 0.0 0.8 0.0 1.5 0.0 0.0 0.0 0.0 0.1 - 10 [ 0.0 .. 1.5] 95-> [VAL A 64] PHI -119.7 -101.4 0.4 0.0 0.4 0.4 1.4 0.0 0.2 1.3 0.0 0.0 1.1 0.7 0.0 0.0 0.0 0.0 0.0 0.5 0.0 0.0 - 10 [ 0.0 .. 1.4] 96-> [VAL A 64] PSI 114.0 125.5 0.7 0.4 1.8 0.0 0.7 1.0 1.2 0.0 0.0 2.0 0.0 0.0 0.8 0.8 1.0 0.0 0.0 0.8 0.9 0.4 - 13 [ 0.0 .. 2.0] 98-> [LEU A 65] PSI 126.3 146.0 0.5 0.0 0.6 0.7 0.2 0.0 1.7 0.0 0.2 0.7 0.5 0.0 0.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 9 [ 0.0 .. 1.7] 99-> [THR A 66] PHI -137.9 -114.1 0.0 0.2 0.0 0.0 0.0 1.3 0.0 0.0 0.0 0.8 0.0 1.1 0.0 0.3 1.2 0.3 0.0 1.9 0.7 0.0 - 9 [ 0.0 .. 1.9] 102-> [PHE A 67] PSI 149.3 162.1 1.0 0.5 0.6 0.0 0.0 0.7 1.4 0.8 0.0 0.0 0.6 0.9 0.8 0.7 1.0 0.7 1.0 0.4 0.3 0.0 - 15 [ 0.0 .. 1.4] 103-> [SER A 68] PHI -140.7 -111.1 0.1 0.0 0.0 0.9 1.1 0.0 0.0 0.0 0.0 0.9 0.0 0.0 0.1 0.0 0.0 0.6 0.0 0.8 0.9 0.0 - 8 [ 0.0 .. 1.1] 104-> [SER A 68] PSI 115.7 156.1 0.5 1.4 0.9 0.4 1.4 0.4 0.0 1.5 1.0 1.4 1.6 2.2 0.7 0.0 1.0 0.4 0.8 2.0 0.2 0.0 - 17 [ 0.0 .. 2.2] 106-> [TRP A 69] PSI 121.2 136.5 0.0 0.7 0.2 0.1 1.7 1.5 0.1 0.0 1.0 0.0 0.7 0.0 0.9 0.3 0.8 0.4 0.2 0.6 0.7 1.0 - 16 [ 0.0 .. 1.7] 108-> [THR A 70] PSI 101.7 126.1 1.0 0.0 1.0 0.0 0.0 0.6 0.8 0.9 0.0 0.7 0.9 1.0 0.0 0.9 0.2 0.0 0.4 1.4 0.3 1.2 - 14 [ 0.0 .. 1.4] 112-> [GLU A 74] PSI 112.4 149.6 0.0 1.6 0.8 0.7 0.0 1.6 2.1 1.4 0.3 1.3 2.0 0.0 0.6 1.2 1.3 2.3 1.7 1.5 1.3 2.5 - 17 [ 0.0 .. 2.5] 114-> [GLY A 75] PSI 160.4 -168.3 0.0 0.0 0.0 0.0 1.3 0.0 0.0 0.0 0.0 0.0 0.0 0.7 0.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 1.3] 119-> [ARG A 78] PHI -123.1 -92.9 0.0 0.5 1.1 0.0 0.0 0.0 0.0 0.6 0.0 0.7 0.2 1.4 0.0 0.0 0.0 0.0 0.0 0.1 0.5 0.0 - 8 [ 0.0 .. 1.4] 121-> [ILE A 79] PHI -115.9 -96.0 0.0 2.2 0.1 0.0 0.0 0.3 0.6 0.0 0.0 0.0 0.0 0.0 0.3 0.7 0.6 0.0 0.6 0.0 1.0 0.0 - 9 [ 0.0 .. 2.2] 125-> [ALA A 81] PHI -141.4 -112.6 0.0 1.3 0.0 0.5 0.0 0.8 0.0 0.0 0.3 0.2 0.3 0.0 0.1 0.5 0.0 0.0 0.3 0.0 0.8 0.7 - 11 [ 0.0 .. 1.3] 126-> [ALA A 81] PSI 133.6 160.6 0.8 0.5 0.0 0.7 0.0 0.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.7 0.0 0.1 0.0 0.0 0.0 1.2 - 7 [ 0.0 .. 1.2] 127-> [THR A 82] PHI -137.6 -123.8 0.0 0.0 0.0 0.4 0.0 0.0 0.0 0.0 0.0 0.5 0.0 0.0 0.0 0.0 0.1 0.0 0.0 0.0 1.0 0.0 - 4 [ 0.0 .. 1.0] 128-> [THR A 82] PSI 141.4 163.7 0.0 1.1 0.0 1.1 0.0 0.0 0.4 0.0 0.4 0.0 0.0 0.0 0.0 0.3 0.0 0.7 0.5 0.0 1.0 0.3 - 9 [ 0.0 .. 1.1] 129-> [VAL A 83] PHI -149.2 -101.8 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 1.3 0.0 0.0 0.0 - 1 [ 0.0 .. 1.3] 130-> [VAL A 83] PSI 142.3 170.8 1.2 1.5 0.0 0.0 0.5 1.8 0.3 1.8 3.1 2.7 2.1 2.7 0.5 0.4 2.8 1.7 3.9 0.0 0.6 2.3 - 17 [ 0.0 .. 3.9] 132-> [GLU A 85] PSI -46.0 -33.9 4.4 3.9 2.9 1.3 3.8 0.9 5.4 1.0 0.2 1.2 3.0 2.1 1.1 1.2 0.8 1.9 0.0 2.3 1.0 2.2 - 19 [ 0.0 .. 5.4] 133-> [GLU A 86] PHI -92.3 -68.2 3.0 0.6 1.8 0.5 1.3 0.0 2.6 0.4 0.0 2.0 1.1 0.0 0.0 0.0 0.0 0.0 0.0 0.6 0.0 0.0 - 10 [ 0.0 .. 3.0] 136-> [VAL A 89] PSI 112.7 141.0 0.7 0.1 0.6 2.6 2.6 0.0 0.2 3.1 2.2 2.6 1.3 2.4 0.0 3.1 0.7 1.5 1.0 2.3 1.0 2.9 - 18 [ 0.0 .. 3.1] 137-> [VAL A 90] PHI -105.1 -84.0 0.0 0.5 0.0 0.0 0.8 0.0 0.0 0.6 2.5 1.6 1.3 1.4 0.0 1.2 0.0 1.4 0.0 0.7 0.1 2.2 - 12 [ 0.0 .. 2.5] 139-> [GLU A 91] PHI -141.9 -92.7 0.0 0.0 0.0 0.1 0.0 0.0 0.0 0.4 0.0 0.0 0.0 0.3 0.0 0.8 1.5 0.0 0.1 0.0 0.0 0.9 - 7 [ 0.0 .. 1.5] 142-> [LEU A 92] PSI -38.1 -16.2 1.5 1.1 1.5 0.0 0.9 0.7 1.8 0.0 0.6 0.9 0.7 0.0 0.0 0.7 1.0 0.0 0.0 2.9 1.2 1.4 - 14 [ 0.0 .. 2.9] 143-> [GLU A 94] PHI -129.0 -84.9 1.1 1.7 1.4 0.0 0.0 0.5 1.2 2.1 0.0 0.8 1.5 1.5 0.0 1.9 1.8 1.8 1.2 0.6 1.2 1.8 - 16 [ 0.0 .. 2.1] 144-> [GLU A 94] PSI -23.7 30.0 0.0 0.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.2 0.0 0.1 0.0 0.0 1.2 0.5 0.0 0.0 0.0 - 5 [ 0.0 .. 1.2] 147-> [ASN A 96] PHI -113.2 -87.3 0.5 0.6 0.7 0.0 1.6 0.0 0.0 0.7 0.0 0.0 0.0 0.0 0.5 0.0 0.5 0.0 0.0 0.0 0.0 0.0 - 7 [ 0.0 .. 1.6] 151-> [ALA A 99] PHI -145.2 -114.9 0.0 0.6 0.0 1.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.4 0.0 0.0 0.0 0.5 0.0 - 4 [ 0.0 .. 1.2] 152-> [ALA A 99] PSI 115.8 142.5 0.0 0.4 0.4 0.0 0.0 0.0 0.0 0.0 0.0 0.4 1.6 0.3 0.2 0.7 0.6 0.0 0.3 0.0 0.0 1.5 - 10 [ 0.0 .. 1.6] 153-> [THR A 100] PHI -128.2 -105.2 0.0 0.0 0.0 0.0 1.1 0.0 0.6 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 - 3 [ 0.0 .. 1.1] 156-> [PHE A 101] PSI 118.1 140.4 0.0 0.5 0.0 0.0 0.0 0.0 0.0 0.6 0.8 0.0 0.0 0.4 0.0 1.2 0.0 0.0 0.4 0.6 1.0 0.0 - 8 [ 0.0 .. 1.2] 166-> [VAL A 106] PSI 144.9 167.3 0.0 0.0 0.4 0.0 1.0 0.0 0.0 0.0 0.0 0.9 0.0 0.0 0.0 0.0 0.0 0.5 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 1.0] ---- 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 : 20 20 23 15 26 19 22 18 16 18 25 22 15 14 22 19 19 18 20 28 19.95 > 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 : 45 68 56 47 54 54 54 48 42 53 53 51 49 52 56 40 48 56 51 51 51.40 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 : 8.7 9.6 8.5 6.6 8.3 9.2 7.6 9.6 7.2 8.3 7.2 7.5 8.9 8.7 7.2 7.5 8.0 7.3 6.2 7.8 9.65 Max PHI Viol : 8.7 9.6 8.5 6.6 8.3 9.2 7.6 9.6 7.2 8.3 7.2 7.5 8.9 8.7 7.2 7.5 8.0 7.3 6.0 7.8 9.65 Max PSI Viol : 8.3 8.5 7.5 6.4 7.0 6.4 7.0 8.4 7.1 8.2 6.9 6.7 7.0 8.3 6.5 6.8 5.6 6.9 6.2 6.6 8.54 Average Violation : 0.4 0.4 0.4 0.3 0.4 0.4 0.4 0.4 0.3 0.4 0.4 0.4 0.3 0.3 0.4 0.3 0.4 0.4 0.3 0.4 0.372 Avge PHI Viol : 0.490 0.604 0.578 0.489 0.538 0.533 0.532 0.560 0.459 0.501 0.522 0.520 0.507 0.478 0.565 0.497 0.523 0.533 0.503 0.535 0.524 Avge PSI Viol : 0.684 0.721 0.725 0.615 0.705 0.693 0.738 0.662 0.656 0.723 0.738 0.702 0.621 0.669 0.666 0.617 0.663 0.662 0.659 0.725 0.683 RMS Violation : 1.151 1.235 1.151 0.927 1.074 1.089 1.127 1.191 1.003 1.131 1.060 1.048 1.033 1.096 0.998 0.975 1.032 1.004 0.908 1.060 1.068 RMS PHI Viol : 1.066 1.178 1.084 0.828 1.013 1.120 0.983 1.188 0.902 1.009 0.927 0.937 1.065 1.026 0.953 0.933 0.979 0.953 0.790 1.013 1.002 RMS PSI Viol : 1.228 1.288 1.212 1.015 1.131 1.058 1.251 1.194 1.093 1.239 1.176 1.146 1.000 1.160 1.040 1.013 1.081 1.051 1.010 1.104 1.128 Final --global-- Summary for 20 models, 166 ACOs/model, 3320 ACOs total ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Summ. Viol. : 1235.40 Summ. Sq. Viol. : 3785.11 Max. Viol. : 9.649 Avg. Viol. : 0.37211 RMS Viol. : 1.06775 Std. Dev. Viol. : 1.00081