# 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 A C C 52.26 6.55 13.04 20.79 104.20 -118.96 -72.67 94.02 99.76 0.02 0.22 99.68 0.06 0.07 0.17 0.00 0.00 0.01 0.01 1 E H H 124.81 2.12 11.58 14.57 95.18 84.86 -65.82 -37.94 10.91 0.04 89.05 7.27 0.51 2.69 88.54 0.96 0.00 0.02 0.01 2 F H H 138.08 1.62 11.06 13.28 92.76 52.45 -65.82 -39.51 6.17 0.03 93.79 2.04 0.79 3.20 92.66 1.27 0.00 0.01 0.01 3 V H H 86.89 2.72 11.70 15.25 92.59 50.13 -66.19 -39.85 2.79 0.02 97.19 1.00 0.36 1.37 95.94 1.32 0.00 0.01 0.01 4 R H H 135.92 1.98 13.10 15.55 92.22 51.18 -64.87 -40.59 1.54 0.01 98.45 0.56 0.19 0.71 97.87 0.66 0.00 0.00 0.00 5 N H H 87.44 2.15 13.60 16.21 92.23 50.37 -65.17 -39.82 2.01 0.01 97.98 0.54 0.19 1.11 97.59 0.56 0.00 0.00 0.00 6 L H H 88.60 3.41 13.43 17.76 92.36 50.62 -65.12 -40.17 1.38 0.00 98.62 0.23 0.11 0.87 98.15 0.63 0.00 0.00 0.00 7 A H H 59.78 3.49 13.92 18.23 92.32 51.01 -65.59 -39.06 2.09 0.00 97.90 0.20 0.13 1.56 96.98 1.13 0.00 0.00 0.00 8 E H H 125.02 1.77 15.52 17.05 92.69 50.60 -68.04 -34.56 14.76 0.01 85.23 0.33 0.42 14.27 83.54 1.42 0.01 0.00 0.00 9 K H H 114.46 3.48 14.94 19.20 94.41 49.33 -77.74 -24.87 22.09 0.01 77.90 0.59 0.90 20.46 76.73 1.30 0.01 0.00 0.01 10 A H H 44.41 6.75 12.96 21.29 92.65 69.17 -61.21 -42.82 2.89 0.00 97.10 1.01 0.35 1.24 95.91 1.49 0.00 0.00 0.00 11 P H H 74.59 3.18 16.02 19.80 91.96 50.56 -63.98 -39.52 1.22 0.00 98.77 0.27 0.09 0.68 97.26 1.70 0.00 0.00 0.00 12 A H H 63.14 2.29 16.60 18.71 92.24 50.82 -65.29 -40.11 0.61 0.00 99.39 0.11 0.05 0.35 97.97 1.52 0.00 0.00 0.00 13 L H H 88.48 4.04 15.88 20.61 92.38 50.00 -65.58 -40.96 0.69 0.00 99.31 0.13 0.05 0.41 98.77 0.64 0.00 0.00 0.00 14 V H H 71.27 5.30 15.43 21.49 91.99 49.62 -64.48 -41.51 0.91 0.00 99.09 0.16 0.07 0.53 99.01 0.23 0.00 0.00 0.00 15 N H H 92.49 2.47 17.37 19.82 92.08 50.25 -64.70 -39.96 1.40 0.00 98.60 0.20 0.09 0.89 98.54 0.28 0.00 0.00 0.00 16 A H H 54.22 2.90 16.15 19.54 92.10 51.37 -64.31 -40.69 1.82 0.00 98.17 0.22 0.12 1.24 97.93 0.48 0.00 0.00 0.00 17 A H H 48.88 5.29 14.98 21.46 92.18 50.79 -64.75 -40.12 2.40 0.01 97.59 0.34 0.19 1.61 96.94 0.91 0.01 0.00 0.00 18 V H H 75.96 4.80 15.10 20.77 92.64 49.55 -66.54 -39.21 3.88 0.02 96.10 0.64 0.36 2.64 93.72 2.61 0.01 0.01 0.01 19 T H H 85.12 2.11 16.39 18.29 93.07 50.38 -68.21 -38.83 8.26 0.05 91.70 0.93 0.67 6.43 87.68 4.22 0.03 0.02 0.02 20 Y H H 143.63 2.65 15.39 18.26 95.46 46.49 -76.25 -32.14 23.41 0.09 76.50 2.05 2.10 18.95 72.84 3.91 0.05 0.04 0.06 21 S H H 47.12 7.75 12.31 21.23 95.20 58.14 -73.18 -27.39 37.06 0.24 62.70 9.59 7.15 21.47 57.31 4.16 0.04 0.09 0.18 22 K H H 117.63 4.00 14.73 19.86 93.95 70.45 -65.08 -40.36 23.48 0.21 76.30 11.78 4.89 7.48 69.15 6.50 0.01 0.09 0.10 23 P H H 79.30 2.75 15.50 18.58 93.29 50.15 -65.81 -37.94 18.35 0.20 81.45 8.81 2.29 7.53 74.08 7.09 0.01 0.11 0.09 24 R H H 125.61 4.36 15.18 20.48 93.03 51.70 -66.49 -38.62 11.43 0.18 88.38 4.99 1.55 5.07 79.63 8.55 0.01 0.11 0.06 25 L H H 76.96 5.95 14.68 21.66 92.60 51.98 -65.16 -40.47 8.64 0.17 91.19 4.47 1.34 3.37 85.12 5.54 0.01 0.10 0.05 26 A H H 54.49 3.25 15.84 19.87 92.48 52.04 -64.55 -39.64 8.06 0.15 91.79 3.49 1.02 3.65 86.94 4.75 0.01 0.09 0.05 27 T H H 65.21 3.83 15.76 20.55 92.36 50.73 -65.71 -40.81 7.41 0.13 92.46 2.55 0.94 3.88 87.83 4.66 0.02 0.08 0.04 28 F H H 91.97 6.36 14.53 22.03 92.27 50.84 -64.78 -41.13 4.52 0.08 95.40 1.44 0.56 2.40 90.64 4.88 0.01 0.05 0.02 29 W H H 130.22 4.43 15.04 20.45 92.58 51.40 -65.27 -40.20 4.20 0.10 95.70 1.28 0.54 2.30 89.67 6.11 0.01 0.07 0.02 30 Y H H 133.01 2.56 15.43 18.36 92.63 51.18 -65.75 -39.67 6.31 0.12 93.58 1.34 0.72 4.07 87.73 6.01 0.03 0.08 0.03 31 Y H H 115.26 5.15 13.64 20.05 93.56 47.44 -70.51 -34.30 11.24 0.22 88.54 2.44 1.47 7.47 82.93 5.42 0.06 0.13 0.09 32 A H H 48.71 8.32 11.48 21.10 93.81 57.94 -69.29 -28.18 28.23 0.48 71.30 5.50 3.86 19.49 66.40 4.18 0.09 0.24 0.23 33 K H H 144.41 2.22 14.66 17.45 95.62 54.95 -78.04 -17.34 49.46 0.83 49.71 8.26 6.97 33.89 45.29 4.70 0.11 0.41 0.38 34 V C C 81.83 5.59 11.81 18.87 108.94 75.09 -89.93 113.62 67.13 3.95 28.92 28.91 20.43 17.74 24.51 4.86 0.09 2.30 1.16 35 E C C 119.89 4.96 13.41 19.72 109.48 -135.28 -85.39 106.75 74.13 10.18 15.69 53.06 8.33 11.71 12.69 4.01 0.02 8.02 2.16 36 L C C 89.07 9.61 10.89 21.34 112.06 -157.93 -91.71 119.91 76.44 18.12 5.44 62.11 9.48 3.92 3.87 1.89 0.01 10.57 8.14 37 V C C 92.64 4.06 16.44 21.76 121.80 -167.44 -113.36 136.23 83.19 16.43 0.39 67.51 15.97 0.51 0.23 0.18 0.00 10.01 5.58 38 P C C 77.56 9.06 14.09 24.26 115.16 -104.61 -65.88 146.69 99.24 0.75 0.01 96.79 2.50 0.06 0.00 0.01 0.00 0.54 0.10 39 P C C 39.11 15.00 10.31 25.47 116.23 -107.87 -67.43 151.41 99.48 0.44 0.08 97.92 1.54 0.11 0.03 0.02 0.00 0.13 0.25 40 T C C 78.13 2.42 18.29 20.06 120.29 -116.30 -81.89 160.88 99.73 0.15 0.12 98.00 1.63 0.12 0.05 0.03 0.00 0.03 0.13 41 P H G 94.15 6.05 11.24 19.10 91.68 -107.48 -58.32 -34.43 16.98 0.08 82.94 2.37 1.83 11.80 6.04 77.89 0.00 0.05 0.03 42 A H G 87.34 1.11 14.56 15.04 91.09 59.51 -67.70 -23.43 17.19 0.05 82.76 1.11 1.31 13.94 6.34 77.25 0.00 0.03 0.02 43 E H G 86.07 7.28 13.59 22.29 94.34 53.07 -85.44 -14.85 12.31 0.08 87.62 2.22 1.34 8.08 12.90 75.38 0.00 0.04 0.03 44 I H H 35.68 17.31 10.94 27.93 92.31 77.72 -60.59 -43.72 1.87 0.00 98.12 0.68 0.28 0.65 97.90 0.49 0.00 0.00 0.00 45 P H H 72.64 3.99 18.09 22.77 91.61 51.50 -63.41 -39.75 0.67 0.00 99.33 0.19 0.04 0.30 99.16 0.30 0.00 0.00 0.00 46 T H H 81.92 1.95 20.71 21.24 91.86 49.50 -65.36 -40.88 0.20 0.00 99.80 0.04 0.01 0.10 99.64 0.21 0.00 0.00 0.00 47 A H H 20.31 12.84 16.08 30.17 91.95 50.24 -64.50 -42.00 0.18 0.00 99.82 0.03 0.01 0.09 99.78 0.09 0.00 0.00 0.00 48 I H H 48.63 13.03 17.38 30.85 91.99 49.49 -63.78 -41.88 0.26 0.00 99.74 0.03 0.01 0.14 99.77 0.04 0.00 0.00 0.00 49 Q H H 100.39 2.36 21.65 22.96 91.63 50.65 -63.76 -41.82 0.35 0.00 99.65 0.03 0.01 0.21 99.70 0.04 0.00 0.00 0.00 50 S H H 47.00 4.77 19.82 25.20 91.87 50.21 -64.79 -41.03 1.05 0.00 98.95 0.07 0.04 0.75 99.06 0.08 0.00 0.00 0.00 51 L H H 30.17 16.11 15.72 32.14 92.10 50.63 -64.46 -40.82 0.86 0.00 99.14 0.10 0.04 0.51 99.26 0.09 0.00 0.00 0.00 52 K H H 102.68 7.23 19.53 27.53 91.73 52.50 -63.20 -40.55 0.64 0.00 99.36 0.10 0.04 0.35 99.43 0.08 0.00 0.00 0.00 53 K H H 126.10 2.03 21.88 22.80 91.81 50.65 -65.12 -40.41 1.01 0.00 98.99 0.12 0.06 0.66 99.02 0.14 0.00 0.00 0.00 54 I H H 50.79 10.74 18.21 29.85 92.28 49.68 -65.06 -42.31 1.24 0.01 98.75 0.24 0.10 0.72 98.76 0.17 0.00 0.00 0.00 55 I H H 41.58 13.31 17.04 30.94 92.04 49.42 -64.15 -41.96 1.30 0.01 98.69 0.32 0.14 0.70 98.59 0.24 0.00 0.01 0.00 56 N H H 86.31 2.91 21.00 23.36 91.93 50.19 -64.49 -40.66 2.66 0.02 97.32 0.43 0.25 1.81 96.89 0.60 0.01 0.01 0.00 57 S H H 41.65 4.82 17.06 23.31 92.20 50.76 -64.67 -39.48 4.73 0.03 95.24 0.72 0.48 3.36 94.09 1.32 0.01 0.01 0.01 58 A H H 28.33 13.67 12.60 26.90 92.66 52.41 -66.42 -35.97 7.10 0.04 92.86 1.15 0.71 5.11 90.20 2.76 0.02 0.02 0.02 59 K H H 135.52 3.96 16.02 21.27 92.77 53.94 -69.77 -30.00 14.52 0.05 85.42 1.10 1.25 12.10 83.20 2.25 0.04 0.02 0.03 60 T H H 97.57 1.56 15.62 16.41 98.33 47.17 -87.10 -9.70 46.19 0.16 53.64 2.02 5.57 37.95 52.15 2.05 0.08 0.05 0.13 61 G C T 46.59 5.09 12.60 19.19 98.68 -108.90 79.90 8.20 96.50 0.27 3.23 14.19 23.11 59.46 1.47 1.48 0.00 0.12 0.18 62 S C C 54.55 4.57 14.50 20.40 101.13 117.75 -91.69 14.75 85.69 1.22 13.08 65.14 9.83 9.74 3.52 10.39 0.00 0.54 0.85 63 F H G 61.92 16.61 9.65 25.33 93.66 116.81 -67.37 -25.15 30.81 0.75 68.44 9.34 5.25 15.91 3.26 65.61 0.00 0.43 0.20 64 K H G 152.69 2.42 15.76 19.19 91.40 68.27 -67.80 -21.27 31.29 0.19 68.51 1.77 3.07 24.41 2.31 68.26 0.00 0.10 0.07 65 Q H G 138.30 1.37 16.29 17.04 94.95 54.39 -89.97 -4.04 33.32 0.23 66.45 2.29 3.63 25.24 1.92 66.71 0.00 0.12 0.09 66 L C S 38.59 16.17 7.16 22.46 120.13 98.28 -84.95 144.22 98.18 1.56 0.26 40.51 57.49 0.22 0.15 0.07 0.00 0.33 1.24 67 T C C 72.64 2.23 18.79 20.08 121.59 -122.51 -78.99 163.78 94.40 5.43 0.17 94.54 0.59 0.04 0.13 0.02 0.00 0.98 3.71 68 V H H 95.25 6.74 13.28 21.36 91.46 -102.88 -58.17 -39.40 1.17 0.00 98.83 0.15 0.14 0.72 98.62 0.36 0.00 0.00 0.00 69 K H H 134.42 2.17 18.22 20.22 91.48 52.46 -64.37 -40.23 0.60 0.00 99.39 0.05 0.04 0.42 99.10 0.39 0.00 0.00 0.00 70 E H H 68.29 9.43 17.16 27.55 92.00 48.11 -66.64 -39.37 0.26 0.00 99.74 0.03 0.01 0.17 99.41 0.38 0.00 0.00 0.00 71 A H H 18.27 15.85 15.09 31.64 91.35 52.60 -62.23 -42.45 0.13 0.00 99.87 0.02 0.01 0.07 99.83 0.08 0.00 0.00 0.00 72 L H H 82.43 6.02 22.57 28.26 91.59 50.12 -64.08 -41.74 0.35 0.00 99.65 0.03 0.01 0.25 99.64 0.07 0.00 0.00 0.00 73 L H H 71.69 6.89 23.46 30.57 91.77 49.28 -64.34 -42.02 0.34 0.00 99.66 0.02 0.01 0.26 99.65 0.05 0.00 0.00 0.00 74 N H H 28.13 16.81 20.44 36.92 91.53 49.97 -63.93 -41.49 0.42 0.00 99.58 0.04 0.02 0.28 99.60 0.06 0.00 0.00 0.00 75 G H H 18.49 13.32 21.70 35.24 91.53 51.48 -63.51 -41.08 0.69 0.00 99.30 0.04 0.03 0.53 99.35 0.05 0.00 0.00 0.00 76 L H H 76.17 6.47 25.53 31.78 91.76 49.80 -64.28 -42.21 0.27 0.00 99.72 0.02 0.01 0.20 99.74 0.04 0.00 0.00 0.00 77 V H H 41.47 11.87 23.93 36.07 91.67 48.87 -64.15 -42.84 0.14 0.00 99.86 0.01 0.01 0.09 99.87 0.02 0.00 0.00 0.00 78 A H H 15.68 16.75 21.10 37.93 91.44 50.95 -62.93 -42.87 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 79 T H H 48.73 9.45 24.20 33.67 91.59 49.95 -64.38 -41.54 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 80 E H H 70.53 9.30 24.08 33.43 91.78 50.31 -64.60 -41.75 0.02 0.00 99.98 0.00 0.00 0.02 99.98 0.01 0.00 0.00 0.00 81 V H H 28.41 15.28 21.22 36.53 91.66 49.76 -64.47 -42.69 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 82 W H H 84.83 12.70 22.27 34.80 91.51 50.18 -63.03 -41.97 0.05 0.00 99.95 0.00 0.00 0.04 99.93 0.02 0.00 0.00 0.00 83 M H H 72.74 8.86 22.63 31.33 91.81 50.14 -64.78 -41.56 0.14 0.00 99.86 0.00 0.00 0.14 99.79 0.06 0.00 0.00 0.00 84 W H H 92.88 11.01 22.28 33.31 92.09 49.57 -64.99 -41.97 0.21 0.00 99.79 0.00 0.01 0.21 99.66 0.11 0.00 0.00 0.00 85 F H H 53.35 14.76 20.98 35.38 92.56 49.35 -65.21 -41.95 0.48 0.00 99.52 0.02 0.02 0.46 99.32 0.17 0.00 0.00 0.00 86 Y H H 78.00 11.05 22.50 33.57 92.31 49.37 -65.13 -42.70 1.50 0.00 98.49 0.08 0.09 1.35 98.14 0.32 0.01 0.00 0.00 87 V H H 53.28 9.01 23.13 32.24 92.04 48.68 -64.68 -42.03 2.12 0.02 97.86 0.16 0.20 1.76 97.00 0.84 0.02 0.01 0.01 88 G H H 13.39 12.16 19.91 33.19 91.75 50.90 -63.92 -41.74 3.25 0.02 96.74 0.32 0.28 2.51 94.98 1.88 0.01 0.01 0.01 89 E H H 55.42 11.24 20.11 31.95 92.17 50.37 -65.44 -40.55 6.16 0.08 93.76 0.57 0.56 5.07 90.66 3.01 0.06 0.04 0.03 90 I H H 60.83 8.62 19.76 28.86 92.70 48.62 -66.34 -40.97 9.95 0.31 89.74 1.22 1.27 7.90 86.65 2.51 0.17 0.17 0.11 91 I H H 74.57 7.56 18.61 26.75 93.90 48.01 -69.03 -37.29 24.38 2.65 72.97 3.78 4.69 17.77 66.54 3.37 1.33 1.32 1.21 92 G C H 26.90 10.43 14.81 26.12 95.26 51.82 -71.61 -31.38 51.81 2.39 45.80 9.82 8.50 34.18 39.34 5.29 0.44 1.17 1.26 93 K C T 110.09 7.05 15.20 22.97 97.76 52.86 -78.54 -11.88 64.95 2.89 32.17 10.66 14.62 39.35 23.23 8.63 0.38 1.40 1.73 94 R C T 158.60 3.96 15.67 20.45 97.67 -37.10 52.95 21.24 75.48 2.32 22.20 12.37 17.91 45.27 12.93 8.73 0.12 1.12 1.54 95 G C T 34.70 8.08 13.62 22.73 115.80 -11.15 49.71 149.01 86.86 3.15 9.99 27.28 24.91 35.49 3.64 5.63 0.02 1.57 1.46 96 I C S 92.61 8.39 12.49 21.63 101.38 -67.69 -82.66 -10.52 82.70 7.30 10.01 25.15 32.58 25.68 3.50 5.71 0.06 3.36 3.96 97 I C T 103.68 5.74 13.15 20.03 104.93 41.25 -90.57 51.73 84.20 6.18 9.62 12.61 21.07 50.67 3.04 6.08 0.08 3.29 3.15 98 G C T 49.90 4.18 14.02 19.29 100.35 -44.28 83.61 0.19 91.59 3.30 5.11 24.01 22.00 46.09 1.23 3.61 0.00 1.95 1.12 99 Y C C 106.46 9.08 10.04 20.24 111.37 111.99 -91.40 108.88 87.32 9.33 3.35 65.78 13.73 7.37 1.17 2.21 0.00 4.90 4.84 100 D C C 105.17 3.46 13.51 18.48 106.29 -153.98 -87.45 91.39 92.41 6.45 1.14 87.64 2.70 2.37 0.45 0.53 0.00 3.74 2.57 101 V C C 68.68 11.63 11.53 23.53 109.27 119.59 -95.44 102.74 99.88 0.12 0.01 99.80 0.05 0.05 0.00 0.00 0.00 0.06 0.03