# AA SS3 SS8 ASA HSEa-u HSEa-d CN13 theta tau phi psi P(3-C) P(3-E) P(3-H) P(8-C) P(8-S) P(8-T) P(8-H) P(8-G) P(8-I) P(8-E) P(8-B) 0 M C C 101.92 8.43 11.65 21.00 110.53 -154.17 -88.36 116.26 99.93 0.05 0.02 99.85 0.07 0.05 0.01 0.00 0.00 0.02 0.01 1 A C C 74.19 4.37 10.39 16.54 111.26 124.00 -89.91 129.57 96.71 1.21 2.08 91.62 1.24 4.49 0.62 0.91 0.00 0.62 0.50 2 E C C 143.18 2.41 11.51 15.50 111.77 -139.14 -90.26 127.80 96.07 1.74 2.19 68.39 20.89 6.58 0.48 1.83 0.00 0.82 1.00 3 F C C 117.01 7.44 10.11 19.06 118.25 -138.10 -94.56 134.62 99.19 0.63 0.19 71.75 27.09 0.41 0.06 0.09 0.00 0.24 0.35 4 P C C 62.66 9.28 12.63 23.26 116.08 -108.08 -68.54 151.82 99.56 0.25 0.19 94.79 4.30 0.54 0.06 0.09 0.00 0.12 0.11 5 P C C 76.62 8.04 15.75 24.74 112.58 -102.69 -69.22 147.09 98.01 1.21 0.77 91.11 5.22 1.78 0.21 0.51 0.00 0.64 0.53 6 L C C 94.46 8.98 17.54 27.16 118.81 -130.18 -96.69 137.48 87.94 10.94 1.12 76.91 8.85 1.29 0.56 0.58 0.00 4.44 7.39 7 L C C 21.31 20.10 10.94 30.58 117.87 -119.20 -85.90 139.40 94.61 4.79 0.60 86.56 7.69 0.51 0.37 0.20 0.00 2.52 2.15 8 S C C 47.00 4.21 21.61 25.55 124.51 -136.71 -86.55 166.73 97.04 2.27 0.69 94.49 2.63 0.28 0.57 0.09 0.00 0.99 0.95 9 Q H H 98.43 10.05 13.75 24.65 91.14 -102.06 -59.22 -37.48 3.61 0.02 96.38 0.91 0.87 1.69 95.97 0.53 0.01 0.00 0.01 10 E H H 127.64 1.19 19.02 18.28 91.77 53.18 -63.84 -40.78 2.56 0.02 97.42 0.55 0.37 1.51 96.85 0.70 0.01 0.01 0.01 11 D H H 41.98 8.39 15.56 25.78 91.86 49.48 -65.65 -40.16 1.54 0.02 98.44 0.47 0.20 0.83 97.61 0.88 0.00 0.01 0.01 12 M H H 13.74 19.42 10.49 29.78 91.59 50.99 -64.08 -41.63 1.38 0.01 98.60 0.36 0.14 0.77 97.85 0.87 0.00 0.01 0.00 13 K H H 129.84 3.10 16.81 20.88 91.99 50.18 -64.40 -40.15 4.04 0.02 95.95 0.40 0.24 3.22 94.92 1.21 0.01 0.01 0.00 14 K H H 149.24 1.31 17.00 17.46 91.35 51.26 -65.69 -34.37 12.96 0.02 87.02 0.51 0.58 12.08 85.55 1.24 0.02 0.01 0.01 15 H C T 69.42 11.28 12.48 24.65 95.36 48.13 -90.47 0.78 82.70 0.05 17.24 1.29 3.18 77.41 16.82 1.22 0.00 0.02 0.06 16 K C T 160.94 1.67 19.28 20.72 94.39 -124.91 57.90 40.24 98.76 0.03 1.21 5.22 1.73 92.15 0.65 0.22 0.00 0.01 0.01 17 I C C 24.53 19.63 8.44 27.04 118.77 167.52 -88.01 140.53 99.45 0.35 0.20 86.65 12.45 0.26 0.11 0.06 0.00 0.09 0.37 18 L C C 85.45 3.69 19.42 23.10 113.24 -104.40 -66.26 143.29 99.34 0.35 0.31 99.07 0.35 0.11 0.09 0.07 0.00 0.08 0.23 19 L H G 96.27 9.51 13.01 23.60 91.91 -117.09 -57.87 -36.40 9.96 0.06 89.98 1.28 1.10 6.99 5.02 85.56 0.00 0.04 0.01 20 A H G 71.10 3.55 17.54 21.86 90.20 62.25 -66.19 -22.23 9.35 0.04 90.61 0.55 0.70 7.69 5.35 85.68 0.00 0.02 0.00 21 Y H G 68.31 12.94 14.96 28.60 97.23 51.22 -94.53 -2.85 10.41 0.09 89.51 1.77 1.36 6.46 6.05 84.28 0.00 0.06 0.02 22 R C C 55.03 18.84 13.58 31.24 96.25 92.39 -66.88 -37.14 62.81 2.34 34.86 43.17 11.23 9.15 23.33 10.13 0.01 0.69 2.28 23 D H H 76.25 7.97 20.26 28.24 97.11 52.01 -68.12 -31.03 43.62 0.53 55.85 7.70 8.25 25.89 35.40 21.95 0.16 0.22 0.43 24 R H H 136.80 5.08 22.38 27.73 97.07 36.16 -76.16 -24.05 41.04 0.32 58.65 2.66 4.72 31.41 38.70 21.98 0.12 0.15 0.26 25 C H H 17.61 18.70 17.79 35.97 99.66 46.66 -94.28 -16.82 35.62 0.56 63.82 6.85 4.08 23.21 42.83 22.30 0.07 0.26 0.39 26 A H H 16.33 19.23 17.65 36.52 92.21 82.39 -61.35 -38.05 6.72 0.06 93.23 1.32 0.76 4.17 78.48 15.22 0.01 0.03 0.02 27 A H H 56.53 7.08 23.54 31.02 91.57 56.46 -65.45 -32.52 4.78 0.01 95.21 0.27 0.23 3.89 78.19 17.40 0.00 0.01 0.00 28 L H H 55.09 12.55 22.28 34.55 94.45 46.07 -76.25 -33.50 7.02 0.01 92.97 0.26 0.30 6.05 75.02 18.34 0.01 0.01 0.01 29 L H H 14.80 21.43 19.15 39.86 93.96 52.06 -71.56 -33.97 5.35 0.01 94.64 0.29 0.42 4.55 90.31 4.40 0.01 0.00 0.00 30 V H H 39.60 12.31 22.00 34.62 92.22 57.65 -62.65 -43.90 1.17 0.00 98.82 0.15 0.08 0.76 97.69 1.32 0.00 0.00 0.00 31 P H H 51.65 6.88 23.47 31.04 91.48 50.06 -63.78 -39.95 0.68 0.00 99.31 0.10 0.03 0.45 98.39 1.03 0.00 0.00 0.00 32 L H H 21.32 17.67 19.19 36.88 91.90 50.65 -64.22 -41.62 0.22 0.00 99.78 0.02 0.01 0.13 99.28 0.55 0.00 0.00 0.00 33 N H H 42.27 12.01 20.52 33.08 91.79 50.84 -63.82 -40.87 0.37 0.00 99.63 0.05 0.02 0.22 99.56 0.15 0.00 0.00 0.00 34 E H H 87.20 3.80 22.44 26.00 91.66 49.52 -64.50 -41.51 0.72 0.00 99.28 0.06 0.04 0.50 99.23 0.16 0.00 0.00 0.00 35 C H H 18.41 10.91 15.83 28.92 91.53 50.55 -63.86 -41.76 1.08 0.00 98.92 0.13 0.09 0.70 98.75 0.32 0.00 0.00 0.00 36 R H H 74.69 12.47 14.06 27.03 92.04 50.85 -65.06 -38.90 2.15 0.01 97.84 0.23 0.16 1.59 97.43 0.58 0.01 0.00 0.00 37 K H H 134.81 2.62 16.21 19.30 93.10 48.22 -68.15 -36.99 5.25 0.01 94.74 0.26 0.33 4.53 94.21 0.65 0.01 0.00 0.00 38 K H H 145.10 1.46 15.61 16.45 96.68 38.79 -84.60 -26.87 21.24 0.03 78.74 0.59 1.55 18.75 78.30 0.74 0.03 0.01 0.02 39 N C H 73.86 6.44 11.31 19.27 112.11 22.89 -128.82 73.76 62.68 0.35 36.97 10.15 13.33 37.33 37.47 1.32 0.02 0.09 0.28 40 Y C T 146.34 5.25 10.87 17.94 98.84 -157.37 -67.53 -15.00 95.12 0.42 4.45 29.35 18.50 47.61 1.59 2.48 0.00 0.20 0.28 41 Y C T 157.87 3.46 12.71 17.24 97.90 48.73 -81.64 -8.33 95.45 0.51 4.04 24.76 29.08 41.72 0.90 2.96 0.00 0.21 0.37 42 M C C 90.16 4.92 12.31 19.01 110.81 65.16 -108.66 103.22 95.18 0.69 4.13 60.36 31.42 3.32 1.66 2.20 0.00 0.18 0.86 43 P C T 78.06 7.63 11.26 20.64 94.70 -155.97 -62.72 -27.44 54.63 0.19 45.19 5.27 6.85 40.95 6.81 39.86 0.00 0.09 0.16 44 W H G 180.37 2.69 14.93 18.24 93.24 58.12 -74.09 -12.46 49.39 0.24 50.36 4.71 5.45 37.59 8.20 43.74 0.00 0.12 0.18 45 A H G 51.24 6.47 15.12 23.04 95.21 73.49 -72.49 -22.19 49.42 0.54 50.03 13.23 10.95 24.73 9.10 41.37 0.01 0.25 0.37 46 C C C 20.10 16.84 10.32 26.97 103.05 46.21 -102.80 25.92 74.68 0.75 24.57 41.73 13.41 19.27 8.90 15.69 0.00 0.27 0.74 47 G H H 36.41 4.71 16.65 22.67 96.59 126.96 -61.21 -49.05 26.84 0.14 73.02 15.50 7.87 4.77 69.05 2.68 0.00 0.04 0.08 48 H H H 140.06 1.43 18.32 18.63 92.85 40.77 -65.85 -38.54 8.84 0.03 91.12 1.57 1.35 5.95 87.81 3.28 0.02 0.02 0.02 49 E H H 66.33 9.14 15.73 26.11 92.42 50.73 -65.78 -40.06 5.49 0.03 94.48 1.37 0.58 3.36 91.45 3.21 0.01 0.02 0.01 50 R H H 73.55 12.86 14.91 28.20 91.79 51.67 -63.28 -41.51 1.62 0.01 98.38 0.58 0.18 0.73 97.65 0.85 0.00 0.00 0.00 51 H H H 101.35 3.09 19.92 22.63 91.71 49.69 -64.17 -41.47 0.56 0.00 99.44 0.14 0.04 0.27 99.37 0.17 0.00 0.00 0.00 52 E H H 96.32 3.21 20.53 23.42 91.70 49.97 -64.37 -41.96 0.25 0.00 99.75 0.04 0.01 0.14 99.71 0.10 0.00 0.00 0.00 53 Y H H 52.33 12.78 16.48 30.13 91.73 49.61 -64.33 -42.08 0.17 0.00 99.83 0.02 0.01 0.10 99.82 0.05 0.00 0.00 0.00 54 E H H 78.00 7.75 18.94 27.56 91.52 50.38 -63.40 -41.45 0.20 0.00 99.80 0.02 0.01 0.12 99.82 0.03 0.00 0.00 0.00 55 M H H 106.94 2.23 21.47 22.51 91.77 49.72 -64.36 -41.22 0.23 0.00 99.77 0.02 0.01 0.14 99.80 0.03 0.00 0.00 0.00 56 C H H 41.99 6.82 18.19 26.51 92.13 50.11 -64.50 -41.77 0.24 0.00 99.76 0.03 0.01 0.14 99.78 0.04 0.00 0.00 0.00 57 E H H 65.26 9.91 18.06 28.87 91.86 50.63 -64.32 -41.58 0.22 0.00 99.78 0.02 0.01 0.14 99.79 0.04 0.00 0.00 0.00 58 V H H 66.36 4.96 19.39 24.74 91.93 49.50 -63.95 -42.43 0.14 0.00 99.86 0.01 0.01 0.09 99.87 0.02 0.00 0.00 0.00 59 A H H 51.92 2.96 19.95 22.64 91.36 49.80 -63.57 -41.93 0.12 0.00 99.88 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 60 D H H 51.80 6.78 17.39 25.62 91.86 50.12 -64.60 -41.27 0.24 0.00 99.76 0.02 0.01 0.17 99.77 0.03 0.00 0.00 0.00 61 F H H 78.17 7.71 16.83 25.76 91.96 50.14 -64.01 -41.43 0.24 0.00 99.75 0.02 0.01 0.16 99.77 0.04 0.00 0.00 0.00 62 Q H H 98.33 2.90 18.72 21.27 91.61 50.43 -64.07 -41.07 0.18 0.00 99.82 0.02 0.01 0.10 99.84 0.03 0.00 0.00 0.00 63 R H H 130.62 2.61 18.63 20.94 91.89 49.76 -65.04 -41.05 0.18 0.00 99.82 0.02 0.01 0.11 99.84 0.02 0.00 0.00 0.00 64 R H H 104.71 6.17 16.81 24.04 92.00 50.04 -64.84 -40.85 0.20 0.00 99.80 0.03 0.01 0.12 99.82 0.03 0.00 0.00 0.00 65 V H H 66.84 4.92 16.87 22.54 91.90 49.61 -64.43 -41.63 0.19 0.00 99.81 0.03 0.01 0.11 99.83 0.02 0.00 0.00 0.00 66 K H H 114.44 1.91 18.91 19.77 91.54 50.10 -63.76 -41.58 0.19 0.00 99.81 0.02 0.01 0.10 99.84 0.02 0.00 0.00 0.00 67 A H H 48.62 3.55 17.11 21.47 91.64 50.12 -64.22 -41.03 0.28 0.00 99.72 0.03 0.01 0.16 99.76 0.04 0.00 0.00 0.00 68 M H H 74.87 5.53 15.91 22.69 91.93 50.18 -64.50 -40.74 0.35 0.00 99.65 0.04 0.02 0.21 99.70 0.04 0.00 0.00 0.00 69 D H H 81.18 2.66 17.43 19.91 91.76 50.74 -64.14 -40.95 0.39 0.00 99.61 0.06 0.02 0.21 99.67 0.04 0.00 0.00 0.00 70 K H H 121.80 1.67 17.77 18.50 92.04 49.96 -65.00 -40.90 0.50 0.00 99.50 0.07 0.02 0.28 99.56 0.06 0.00 0.00 0.00 71 L H H 78.98 3.47 16.17 20.43 91.90 49.96 -64.50 -41.78 0.57 0.00 99.43 0.11 0.04 0.30 99.48 0.07 0.00 0.00 0.00 72 K H H 108.67 3.01 16.66 19.95 91.83 50.23 -63.92 -40.97 0.69 0.00 99.30 0.15 0.05 0.36 99.35 0.09 0.00 0.00 0.00 73 A H H 55.80 2.20 16.23 18.41 91.67 50.54 -63.46 -40.94 0.99 0.00 99.00 0.19 0.07 0.57 99.05 0.13 0.00 0.00 0.00 74 E H H 102.81 1.98 16.70 18.24 91.80 50.01 -64.54 -41.01 1.36 0.00 98.64 0.26 0.09 0.76 98.72 0.15 0.00 0.00 0.00 75 K H H 114.78 2.33 16.13 18.52 91.69 50.30 -64.81 -40.74 1.20 0.00 98.79 0.28 0.10 0.60 98.88 0.14 0.00 0.00 0.00 76 I H H 90.34 2.27 15.52 17.92 91.70 49.99 -64.37 -41.51 0.92 0.00 99.07 0.22 0.07 0.44 99.14 0.13 0.00 0.00 0.00 77 E H H 110.67 1.74 16.39 17.55 91.68 50.14 -64.00 -41.11 0.76 0.00 99.24 0.16 0.06 0.37 99.29 0.13 0.00 0.00 0.00 78 Q H H 105.30 1.81 16.01 17.42 91.74 49.76 -64.88 -40.94 0.79 0.00 99.21 0.14 0.06 0.41 99.26 0.12 0.00 0.00 0.00 79 A H H 59.57 2.44 15.38 18.15 91.73 50.32 -64.49 -40.81 1.00 0.00 99.00 0.19 0.08 0.52 99.08 0.13 0.00 0.00 0.00 80 K H H 125.74 1.71 16.11 17.40 91.96 49.94 -65.03 -40.41 1.15 0.00 98.84 0.25 0.10 0.58 98.94 0.13 0.00 0.00 0.00 81 A H H 62.61 1.97 16.02 17.69 91.85 50.24 -64.47 -41.14 1.16 0.00 98.83 0.26 0.10 0.56 98.92 0.14 0.00 0.00 0.00 82 A H H 61.81 2.13 16.04 18.03 91.71 50.22 -64.42 -41.23 1.39 0.00 98.61 0.34 0.12 0.67 98.69 0.17 0.00 0.00 0.00 83 A H H 60.26 2.53 15.86 18.62 91.85 50.10 -64.50 -40.91 1.47 0.00 98.53 0.38 0.13 0.70 98.60 0.18 0.00 0.00 0.00 84 A H H 61.60 2.24 16.15 18.34 91.78 50.19 -64.16 -40.93 1.28 0.00 98.71 0.33 0.12 0.60 98.78 0.17 0.00 0.00 0.00 85 A H H 62.33 2.09 16.34 18.20 91.93 50.27 -64.37 -40.95 1.37 0.00 98.62 0.35 0.12 0.66 98.68 0.19 0.00 0.00 0.00 86 A H H 59.46 2.45 15.99 18.64 91.92 50.23 -64.56 -41.09 1.51 0.01 98.49 0.43 0.14 0.70 98.52 0.20 0.00 0.00 0.00 87 A H H 61.83 2.42 16.13 18.62 91.92 49.94 -64.26 -41.27 1.29 0.01 98.70 0.39 0.13 0.58 98.72 0.18 0.00 0.00 0.00 88 A H H 61.97 2.06 16.20 18.02 91.90 50.26 -64.07 -41.19 1.28 0.01 98.71 0.36 0.13 0.59 98.72 0.20 0.00 0.00 0.00 89 A H H 62.52 1.99 16.23 17.88 91.81 50.12 -64.46 -40.95 1.65 0.01 98.34 0.43 0.15 0.83 98.32 0.27 0.00 0.00 0.00 90 A H H 58.85 2.44 15.52 18.22 92.00 50.49 -64.45 -41.31 2.01 0.01 97.98 0.51 0.20 1.03 97.86 0.38 0.00 0.00 0.00 91 A H H 58.99 2.21 15.35 17.70 91.96 50.36 -64.05 -41.21 3.11 0.02 96.87 0.86 0.34 1.62 96.57 0.60 0.00 0.01 0.01 92 A H H 59.63 1.99 14.84 16.87 91.95 50.98 -64.47 -41.17 6.08 0.03 93.88 1.60 0.71 3.44 93.28 0.94 0.00 0.01 0.01 93 D H H 85.33 1.75 14.16 15.86 92.20 50.33 -65.74 -39.17 12.07 0.07 87.85 4.13 1.51 6.19 86.76 1.34 0.00 0.03 0.03 94 A H H 59.79 2.42 12.01 15.49 92.43 52.74 -64.92 -39.50 14.41 0.13 85.46 6.68 2.25 5.89 82.36 2.70 0.01 0.06 0.06 95 E H H 129.62 1.45 11.80 13.57 93.21 51.86 -66.94 -36.68 19.35 0.23 80.42 7.79 2.77 9.26 76.50 3.47 0.01 0.11 0.11 96 E H H 142.62 1.12 10.44 11.86 93.62 53.84 -69.74 -29.29 29.91 0.27 69.83 10.57 4.21 15.58 66.08 3.27 0.02 0.11 0.15 97 S C H 85.34 1.58 9.04 11.62 96.94 56.13 -80.41 -10.75 59.35 0.27 40.38 33.05 1.56 23.34 39.77 2.00 0.00 0.10 0.18 98 K C C 151.56 2.09 11.25 14.58 101.73 87.28 -78.78 36.23 99.90 0.01 0.08 99.65 0.09 0.18 0.07 0.00 0.00 0.00 0.00