# 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 114.38 5.43 12.36 19.14 110.43 -160.06 -86.27 125.98 99.93 0.03 0.04 99.84 0.07 0.05 0.01 0.00 0.00 0.01 0.00 1 S C C 72.56 4.36 10.87 16.86 110.59 -151.12 -90.03 127.46 83.01 0.70 16.29 75.58 1.09 6.93 13.79 1.88 0.00 0.31 0.41 2 S C C 72.60 4.33 10.51 16.36 105.26 -134.34 -80.08 11.43 68.42 0.80 30.78 39.21 12.60 16.20 27.21 3.97 0.00 0.31 0.49 3 N C H 110.75 2.72 12.36 16.10 99.86 53.56 -75.28 -17.66 53.58 0.74 45.68 31.82 10.60 11.65 41.42 3.80 0.01 0.28 0.42 4 V H H 84.14 4.34 13.33 18.90 94.99 65.83 -69.73 -36.02 24.51 0.25 75.24 12.32 5.10 7.95 72.00 2.39 0.01 0.09 0.13 5 G H H 24.86 9.88 12.75 23.79 94.69 54.92 -65.78 -40.33 15.53 0.14 84.33 8.28 2.58 4.90 82.51 1.61 0.00 0.06 0.07 6 T H H 75.17 4.28 15.88 21.00 93.03 50.82 -66.17 -40.17 6.59 0.08 93.33 3.39 1.01 2.30 92.20 1.02 0.00 0.04 0.04 7 I H H 101.74 2.01 18.37 19.50 92.40 49.58 -65.34 -41.08 2.93 0.03 97.04 1.28 0.39 1.22 96.52 0.56 0.00 0.01 0.01 8 A H H 34.72 9.61 15.78 26.72 92.02 50.14 -65.18 -40.92 1.39 0.01 98.60 0.54 0.15 0.61 98.42 0.28 0.00 0.00 0.00 9 N H H 58.26 12.61 15.67 28.48 91.83 52.26 -63.80 -40.65 1.11 0.01 98.89 0.37 0.11 0.54 98.81 0.17 0.00 0.00 0.00 10 A H H 65.74 2.37 20.58 22.01 91.72 50.59 -64.47 -40.90 0.47 0.00 99.53 0.10 0.03 0.26 99.52 0.09 0.00 0.00 0.00 11 L H H 84.50 4.23 20.80 25.02 91.94 49.34 -65.09 -41.34 0.19 0.00 99.81 0.03 0.01 0.11 99.81 0.05 0.00 0.00 0.00 12 V H H 20.41 17.62 15.72 33.73 91.96 49.49 -64.79 -41.83 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 13 V H H 62.14 8.83 19.47 28.98 91.54 50.99 -63.07 -41.63 0.06 0.00 99.94 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 14 V H H 89.31 1.85 23.74 23.46 91.37 49.42 -63.77 -42.17 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 15 L H H 47.68 11.92 19.65 32.05 91.74 49.56 -64.58 -41.72 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 16 I H H 32.96 18.21 17.60 35.30 91.55 50.43 -63.79 -42.02 0.07 0.00 99.93 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 17 L H H 95.41 3.20 24.18 26.78 91.39 49.58 -63.50 -42.25 0.11 0.00 99.89 0.00 0.00 0.07 99.91 0.01 0.00 0.00 0.00 18 L H H 82.06 4.02 24.13 27.77 91.51 48.57 -64.27 -41.85 0.13 0.00 99.87 0.01 0.00 0.09 99.89 0.02 0.00 0.00 0.00 19 G H H 5.12 20.23 16.64 37.28 91.53 51.06 -63.74 -42.11 0.18 0.00 99.82 0.01 0.01 0.11 99.85 0.02 0.00 0.00 0.00 20 A H H 39.99 10.82 21.48 32.55 91.48 51.30 -63.11 -41.49 0.18 0.00 99.82 0.01 0.00 0.11 99.85 0.02 0.00 0.00 0.00 21 V H H 88.98 2.06 25.84 26.08 91.40 49.45 -64.01 -42.24 0.19 0.00 99.81 0.01 0.01 0.12 99.84 0.02 0.00 0.00 0.00 22 L H H 43.40 12.92 21.19 34.24 91.69 49.46 -64.69 -41.77 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 23 T H H 22.33 19.71 18.32 37.30 91.62 51.91 -63.26 -42.17 0.15 0.00 99.85 0.01 0.00 0.10 99.85 0.03 0.00 0.00 0.00 24 L H H 94.18 3.55 25.14 28.34 91.42 49.85 -63.73 -41.87 0.15 0.00 99.84 0.01 0.00 0.11 99.85 0.03 0.00 0.00 0.00 25 L H H 81.23 4.61 24.95 29.43 91.49 49.01 -64.63 -41.81 0.16 0.00 99.84 0.01 0.00 0.11 99.84 0.03 0.00 0.00 0.00 26 S H H 8.41 20.86 17.41 38.37 91.46 50.85 -63.98 -41.69 0.37 0.00 99.63 0.02 0.01 0.27 99.64 0.06 0.00 0.00 0.00 27 A H H 36.10 11.56 21.61 33.35 91.59 51.40 -63.42 -41.63 0.70 0.00 99.30 0.04 0.02 0.54 99.31 0.10 0.00 0.00 0.00 28 V H H 84.01 2.30 25.34 25.98 91.48 49.71 -64.03 -42.33 0.72 0.00 99.28 0.05 0.04 0.56 98.90 0.45 0.00 0.00 0.00 29 G H H 12.58 12.77 17.64 31.69 91.84 50.97 -64.34 -40.54 1.32 0.00 98.68 0.07 0.05 1.12 97.17 1.58 0.00 0.00 0.00 30 A H H 24.92 17.13 14.82 31.81 91.54 52.97 -65.09 -37.10 3.07 0.00 96.93 0.11 0.12 2.81 93.29 3.66 0.00 0.00 0.00 31 I H H 114.36 3.19 19.22 22.60 92.74 50.83 -69.58 -32.34 12.30 0.01 87.69 0.33 0.61 11.57 84.11 3.34 0.02 0.00 0.01 32 R H H 152.30 2.56 18.15 20.54 95.48 47.30 -81.62 -21.84 29.02 0.04 70.95 1.20 2.95 24.87 68.34 2.56 0.03 0.01 0.04 33 L C C 42.27 15.49 8.76 23.89 111.61 71.04 -102.48 108.50 99.13 0.17 0.70 69.36 28.70 1.02 0.60 0.10 0.00 0.03 0.19 34 P C S 100.92 2.87 16.18 20.05 95.23 -166.23 -71.31 -23.35 99.73 0.13 0.14 44.26 53.49 2.01 0.04 0.07 0.00 0.04 0.08 35 D C S 70.67 4.67 16.83 22.45 127.32 55.91 -122.97 149.93 98.12 1.20 0.68 36.92 59.70 1.05 0.50 0.14 0.00 0.20 1.48 36 V H H 77.72 10.25 13.82 25.01 92.76 -125.85 -61.61 -36.10 11.66 0.05 88.29 1.11 2.55 8.14 85.68 2.40 0.06 0.02 0.05 37 Y H H 147.26 3.51 18.41 22.25 91.84 54.29 -64.36 -40.14 10.33 0.03 89.64 0.77 1.27 8.32 86.53 3.03 0.04 0.01 0.02 38 T H H 49.76 8.47 18.09 27.52 92.31 46.61 -67.63 -39.27 7.24 0.04 92.72 1.25 0.93 5.06 88.60 4.10 0.02 0.02 0.03 39 R H H 58.61 16.84 17.04 33.26 91.80 53.23 -63.79 -41.12 3.37 0.02 96.61 1.00 0.48 1.86 93.95 2.69 0.01 0.01 0.01 40 S H H 41.38 11.67 21.74 33.21 92.00 51.17 -66.61 -38.52 6.50 0.03 93.47 0.74 0.57 5.04 89.96 3.65 0.02 0.01 0.01 41 H H H 91.70 6.78 24.93 31.85 92.23 49.71 -68.39 -36.67 11.05 0.06 88.90 1.32 1.03 8.62 85.04 3.90 0.03 0.02 0.03 42 A H H 16.46 16.78 21.75 38.35 92.64 54.40 -64.65 -41.68 11.86 0.15 88.00 3.87 1.81 6.49 84.27 3.38 0.03 0.07 0.06 43 I H H 30.76 19.43 23.08 41.69 92.41 51.28 -67.03 -39.66 13.54 0.19 86.28 4.61 1.77 7.43 83.06 2.94 0.02 0.10 0.08 44 S H H 35.23 12.98 25.09 37.63 92.39 52.69 -64.93 -42.32 10.80 0.15 89.05 3.80 1.59 5.72 86.59 2.14 0.02 0.07 0.08 45 K H H 97.15 6.99 27.48 34.84 92.09 49.08 -65.12 -41.28 5.95 0.05 93.99 1.69 0.92 3.43 92.55 1.34 0.02 0.02 0.03 46 S H H 16.48 17.93 23.34 40.74 92.47 49.76 -65.56 -41.68 4.57 0.03 95.40 1.24 0.58 2.75 94.08 1.32 0.01 0.01 0.01 47 T H H 20.33 20.46 22.92 42.33 92.01 50.51 -64.76 -41.71 5.41 0.02 94.57 0.80 0.51 4.07 93.50 1.09 0.01 0.01 0.01 48 T H H 58.11 8.71 26.84 35.88 91.87 49.32 -64.83 -41.97 4.56 0.01 95.42 0.56 0.40 3.50 94.89 0.64 0.01 0.00 0.01 49 L H H 70.57 6.51 27.20 34.37 91.65 49.41 -64.52 -42.34 1.86 0.00 98.14 0.28 0.16 1.18 98.14 0.23 0.00 0.00 0.00 50 G H H 5.13 21.40 20.49 41.68 91.89 51.03 -64.42 -42.21 1.15 0.00 98.85 0.22 0.08 0.66 98.88 0.15 0.00 0.00 0.00 51 I H H 37.45 17.90 23.11 39.85 91.51 49.89 -63.83 -42.18 0.27 0.00 99.73 0.04 0.01 0.16 99.73 0.06 0.00 0.00 0.00 52 M H H 96.24 4.26 26.94 31.39 91.56 49.93 -64.15 -41.87 0.11 0.00 99.89 0.01 0.00 0.06 99.89 0.03 0.00 0.00 0.00 53 C H H 37.46 11.46 23.63 35.25 91.93 49.78 -64.83 -41.96 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.03 0.00 0.00 0.00 54 I H H 18.51 21.84 20.89 42.00 91.62 49.30 -64.36 -42.58 0.06 0.00 99.94 0.00 0.00 0.04 99.93 0.02 0.00 0.00 0.00 55 L H H 59.12 12.53 24.32 36.36 91.69 49.30 -63.56 -42.66 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.02 0.00 0.00 0.00 56 L H H 81.64 4.10 26.64 30.55 91.30 49.07 -63.62 -42.45 0.09 0.00 99.91 0.00 0.00 0.06 99.91 0.03 0.00 0.00 0.00 57 G H H 9.73 14.46 20.96 36.19 91.51 50.51 -64.00 -42.26 0.23 0.00 99.77 0.01 0.00 0.17 99.76 0.05 0.00 0.00 0.00 58 A H H 14.49 18.36 19.60 37.90 91.84 50.54 -64.18 -41.85 0.34 0.00 99.66 0.02 0.01 0.27 99.57 0.13 0.00 0.00 0.00 59 F H H 91.31 7.90 22.40 30.56 91.80 50.86 -64.08 -42.15 0.37 0.00 99.63 0.02 0.01 0.30 99.33 0.33 0.00 0.00 0.00 60 L H H 76.92 5.12 22.24 27.27 92.12 49.83 -65.29 -41.97 0.81 0.00 99.19 0.04 0.03 0.71 98.58 0.64 0.00 0.00 0.00 61 H H H 52.45 11.71 18.01 30.42 92.65 48.28 -67.20 -40.95 2.73 0.00 97.26 0.13 0.15 2.42 96.11 1.19 0.00 0.00 0.00 62 F H H 45.83 12.78 14.30 28.08 92.86 49.51 -67.63 -39.15 8.69 0.03 91.28 0.77 0.74 7.07 88.84 2.53 0.02 0.01 0.01 63 F H H 104.62 5.32 15.08 21.66 92.70 51.66 -67.40 -36.51 18.72 0.12 81.17 2.55 2.18 14.17 76.29 4.63 0.06 0.05 0.08 64 I H H 109.26 2.83 15.15 18.47 96.40 45.70 -76.52 -33.56 28.21 0.24 71.55 4.30 4.43 20.04 66.36 4.52 0.09 0.10 0.16 65 E H H 108.21 4.73 13.49 19.39 101.91 35.61 -94.64 -24.41 48.61 0.48 50.91 8.96 11.64 28.56 46.85 3.42 0.07 0.17 0.33 66 N C C 89.34 5.52 12.70 19.46 106.90 18.68 -109.44 41.48 80.51 0.49 19.00 37.80 14.54 27.77 16.75 2.61 0.00 0.18 0.35 67 N C C 111.35 4.31 12.88 18.89 98.20 -142.58 -5.14 9.46 81.77 0.62 17.61 40.11 20.00 21.90 9.94 7.34 0.00 0.25 0.47 68 H C C 113.04 4.54 15.43 20.99 102.17 97.58 -88.30 4.09 69.68 1.34 28.98 27.14 19.65 23.97 19.35 8.48 0.03 0.53 0.85 69 F C H 60.17 14.79 12.44 26.95 97.73 58.80 -88.66 -1.84 54.31 2.07 43.61 33.86 7.71 13.56 35.18 7.67 0.02 0.96 1.03 70 N H H 62.91 10.17 15.31 26.40 93.59 95.00 -63.38 -41.04 24.56 0.30 75.14 17.40 3.11 4.50 73.08 1.67 0.00 0.13 0.12 71 S H H 67.54 2.42 20.48 22.14 92.19 51.00 -64.66 -40.20 5.58 0.04 94.39 1.87 0.92 2.82 93.26 1.08 0.01 0.02 0.02 72 R H H 91.86 10.11 19.02 29.45 92.29 49.86 -66.10 -40.07 2.09 0.01 97.89 0.60 0.28 1.20 97.16 0.75 0.00 0.01 0.01 73 L H H 21.68 19.72 15.28 34.75 91.54 51.07 -63.87 -42.01 1.02 0.01 98.98 0.28 0.11 0.59 98.55 0.45 0.00 0.00 0.00 74 L H H 84.08 5.22 22.40 27.67 91.52 50.28 -63.36 -41.81 0.48 0.00 99.52 0.12 0.04 0.27 99.39 0.18 0.00 0.00 0.00 75 L H H 83.77 3.70 23.39 26.64 91.45 49.45 -64.01 -42.00 0.23 0.00 99.77 0.03 0.01 0.15 99.73 0.08 0.00 0.00 0.00 76 G H H 6.85 18.56 17.12 36.13 91.55 51.15 -63.97 -41.73 0.23 0.00 99.77 0.02 0.01 0.15 99.76 0.06 0.00 0.00 0.00 77 I H H 52.02 13.79 20.24 33.78 91.79 50.60 -63.85 -41.95 0.14 0.00 99.86 0.01 0.00 0.09 99.85 0.05 0.00 0.00 0.00 78 V H H 82.94 2.80 24.11 25.86 91.37 50.04 -63.61 -42.10 0.10 0.00 99.90 0.01 0.00 0.07 99.87 0.05 0.00 0.00 0.00 79 F H H 65.35 11.23 20.44 31.96 92.07 49.46 -64.95 -41.64 0.14 0.00 99.86 0.01 0.00 0.10 99.79 0.10 0.00 0.00 0.00 80 I H H 22.77 20.72 16.71 36.77 91.74 50.23 -64.19 -41.45 0.20 0.00 99.80 0.01 0.01 0.17 99.57 0.25 0.00 0.00 0.00 81 F H H 107.99 7.69 21.37 29.43 92.33 48.41 -66.82 -37.59 0.92 0.00 99.08 0.02 0.02 0.88 98.39 0.69 0.00 0.00 0.00 82 M H H 105.84 4.11 22.76 26.58 95.28 45.23 -76.54 -32.06 8.78 0.00 91.22 0.11 0.22 8.92 89.77 0.96 0.00 0.00 0.00 83 T H H 23.76 17.72 18.13 35.59 97.19 46.47 -88.56 -18.95 20.58 0.03 79.39 0.84 1.57 18.07 78.30 1.17 0.02 0.01 0.02 84 S H H 25.21 18.11 19.68 37.12 92.07 79.94 -59.60 -43.44 8.80 0.02 91.18 2.31 1.46 4.61 89.46 2.13 0.00 0.01 0.01 85 P H H 58.21 9.40 24.41 33.87 91.94 50.24 -64.98 -39.04 5.73 0.01 94.26 1.17 0.54 3.56 92.67 2.04 0.00 0.01 0.01 86 V H H 53.97 9.77 25.23 35.34 92.27 49.22 -65.75 -41.75 1.95 0.01 98.05 0.40 0.18 1.18 96.54 1.69 0.00 0.00 0.00 87 A H H 13.39 18.70 22.38 40.67 91.72 51.48 -63.82 -42.08 0.70 0.00 99.30 0.18 0.06 0.35 99.05 0.36 0.00 0.00 0.00 88 A H H 24.47 15.93 23.17 38.67 91.52 50.93 -63.58 -41.86 0.33 0.00 99.67 0.06 0.02 0.19 99.57 0.16 0.00 0.00 0.00 89 H H H 81.75 8.78 25.74 34.75 92.02 50.09 -64.51 -41.61 0.27 0.00 99.73 0.04 0.02 0.18 99.61 0.15 0.00 0.00 0.00 90 L H H 46.99 13.04 24.47 37.34 92.00 49.87 -64.57 -42.55 0.32 0.00 99.68 0.04 0.02 0.22 99.59 0.13 0.00 0.00 0.00 91 I H H 35.30 17.44 23.46 40.03 91.91 49.37 -64.44 -41.97 0.51 0.00 99.49 0.07 0.03 0.33 99.45 0.11 0.00 0.00 0.00 92 S H H 33.94 12.34 22.75 35.07 91.87 50.88 -64.15 -41.66 0.79 0.00 99.20 0.13 0.05 0.48 99.18 0.15 0.00 0.00 0.00 93 R H H 101.02 6.98 24.88 31.99 91.99 49.78 -64.99 -41.46 0.74 0.00 99.26 0.09 0.04 0.47 99.18 0.21 0.00 0.00 0.00 94 A H H 19.10 12.71 19.78 33.60 91.79 51.06 -64.33 -41.83 0.68 0.00 99.32 0.08 0.04 0.44 99.07 0.35 0.00 0.00 0.00 95 A H H 21.05 12.66 17.31 31.20 91.86 50.79 -63.60 -41.29 1.22 0.00 98.77 0.16 0.08 0.83 98.14 0.78 0.00 0.00 0.00 96 Y H H 116.99 6.05 18.38 25.07 92.30 49.39 -65.77 -40.72 2.16 0.01 97.84 0.21 0.13 1.66 96.91 1.08 0.00 0.00 0.00 97 Y H H 138.89 4.71 16.99 22.34 92.74 47.21 -69.15 -31.01 7.34 0.02 92.65 0.39 0.44 6.31 92.02 0.81 0.01 0.00 0.01 98 A C T 45.83 9.24 12.39 22.87 95.53 52.71 -85.08 -4.85 67.91 0.11 31.98 1.73 3.80 59.71 33.32 1.29 0.01 0.04 0.09 99 N C T 135.10 1.21 16.52 17.36 95.64 -120.03 59.64 34.73 97.94 0.04 2.02 8.81 3.39 85.99 1.45 0.32 0.00 0.02 0.02 100 V C C 49.18 12.78 8.99 22.28 116.17 155.02 -92.77 133.27 96.25 0.59 3.16 89.00 5.72 1.74 1.94 0.91 0.00 0.23 0.46 101 E C C 132.05 2.79 17.30 20.67 111.67 -120.95 -78.94 132.95 95.06 1.00 3.94 90.99 2.66 2.04 1.93 1.36 0.00 0.50 0.52 102 R C C 109.94 12.26 12.13 24.33 109.59 -132.71 -81.18 128.20 85.87 2.76 11.37 64.56 11.54 9.27 4.38 7.19 0.00 1.41 1.65 103 W C C 108.85 11.30 10.69 22.31 110.40 56.42 -91.50 103.80 84.65 3.26 12.08 56.22 13.95 14.05 4.31 7.87 0.00 1.54 2.07 104 E C T 146.23 2.17 14.10 17.32 107.22 -131.63 -84.14 100.35 85.05 1.51 13.44 26.54 21.39 37.69 4.73 8.05 0.01 0.71 0.88 105 G C T 51.63 3.44 13.58 18.24 108.33 14.49 89.01 0.79 87.13 1.05 11.82 23.45 25.06 39.32 4.26 6.81 0.00 0.52 0.58 106 T C C 73.70 8.11 11.86 21.15 114.46 116.42 -98.08 134.25 83.52 3.96 12.52 57.54 17.57 8.16 7.72 4.97 0.00 1.99 2.05 107 V C C 65.83 10.29 11.50 22.80 116.73 -151.22 -101.37 131.43 76.68 5.47 17.84 56.00 13.80 6.15 15.26 3.55 0.01 2.88 2.35 108 R C C 138.79 5.37 14.73 21.49 111.76 -149.06 -91.47 121.81 69.09 2.52 28.40 53.55 8.70 5.80 26.65 3.05 0.00 1.37 0.87 109 D C H 68.31 8.40 12.88 22.50 108.56 -142.56 -88.52 104.45 52.86 0.79 46.35 38.88 6.45 7.23 43.50 3.26 0.00 0.38 0.29 110 D H H 77.39 4.75 15.26 21.16 96.81 81.46 -70.96 -24.11 27.25 0.32 72.44 14.92 4.35 8.90 67.48 4.06 0.01 0.16 0.13 111 L H H 57.70 9.16 12.13 22.82 93.01 62.32 -65.54 -39.08 11.93 0.17 87.90 5.39 2.09 5.08 82.16 5.11 0.01 0.10 0.06 112 K H H 107.37 4.95 13.17 19.67 92.43 53.39 -64.53 -40.08 9.81 0.20 90.00 4.68 1.82 4.05 84.34 4.91 0.01 0.12 0.07 113 Q H H 116.86 1.80 13.99 15.96 92.90 51.04 -66.17 -38.39 13.30 0.31 86.39 6.34 2.26 5.53 80.96 4.61 0.01 0.18 0.11 114 K H H 123.23 3.26 12.52 16.92 94.01 50.46 -69.77 -34.96 19.69 0.42 79.89 8.73 4.02 8.17 75.02 3.64 0.03 0.20 0.18 115 A H H 58.34 6.55 9.91 17.91 95.89 53.04 -76.26 -21.29 36.72 0.47 62.81 12.86 7.12 17.74 59.10 2.69 0.03 0.19 0.26 116 G C T 56.41 2.25 11.89 15.12 100.56 -4.29 51.51 3.71 66.52 0.44 33.05 20.59 11.37 34.22 30.79 2.58 0.01 0.15 0.28 117 G C C 54.47 2.81 10.02 14.53 108.25 33.05 10.75 55.49 91.74 0.28 7.98 67.64 2.47 21.87 6.55 1.16 0.00 0.12 0.20 118 K C C 148.25 2.69 11.31 15.59 109.71 72.64 -88.97 115.64 99.96 0.03 0.01 99.86 0.07 0.04 0.01 0.00 0.00 0.01 0.00