# 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 105.80 6.33 12.20 19.97 116.71 -160.85 -98.81 133.13 99.95 0.03 0.01 99.91 0.05 0.03 0.00 0.00 0.00 0.01 0.00 1 H C C 131.81 3.36 10.02 15.09 110.41 -147.44 -89.41 121.13 87.60 1.78 10.61 83.23 1.07 4.31 8.15 1.53 0.00 0.89 0.81 2 I C C 103.98 4.79 8.75 15.23 107.71 63.18 -86.54 78.41 74.99 2.11 22.90 53.53 10.77 10.02 19.27 4.39 0.00 1.12 0.90 3 S C C 64.28 4.15 10.39 16.07 110.09 -129.62 -83.41 132.44 70.05 1.62 28.34 50.77 9.30 9.33 23.47 5.59 0.00 0.84 0.69 4 K C H 132.59 3.79 11.06 16.29 97.38 -131.31 -70.88 -28.17 54.15 1.01 44.85 33.36 10.59 10.98 37.38 6.73 0.01 0.47 0.48 5 K H H 130.04 3.37 11.64 16.14 97.05 65.22 -71.57 -30.03 45.31 0.75 53.95 25.26 9.75 11.68 46.57 6.01 0.02 0.33 0.37 6 K H H 130.50 2.42 13.04 16.15 96.08 54.45 -70.89 -32.12 38.61 0.44 60.94 16.90 8.11 14.81 54.71 5.02 0.02 0.19 0.24 7 G H H 32.24 5.07 12.88 19.50 98.18 48.37 -63.03 -39.87 40.41 0.44 59.15 18.35 8.28 15.10 53.35 4.48 0.02 0.18 0.24 8 V H H 72.42 5.79 11.86 19.12 93.69 52.95 -67.12 -37.85 23.50 0.47 76.03 12.81 4.87 7.45 70.05 4.37 0.02 0.23 0.19 9 R H H 143.34 2.26 14.62 17.32 92.85 53.29 -65.55 -39.10 19.20 0.56 80.24 10.93 3.65 6.29 73.63 4.95 0.02 0.32 0.21 10 K H H 120.72 2.51 14.62 17.68 92.93 50.93 -67.55 -36.29 19.02 0.58 80.40 10.21 3.36 6.84 73.66 5.36 0.02 0.34 0.21 11 M H H 82.32 6.81 12.30 20.54 94.82 51.50 -72.85 -31.93 22.33 0.52 77.15 11.62 4.15 7.80 71.67 4.27 0.02 0.26 0.22 12 N H H 86.25 3.88 14.47 19.34 94.96 58.85 -67.78 -38.36 24.85 0.42 74.73 15.71 3.48 6.56 71.38 2.49 0.01 0.18 0.19 13 L H H 101.67 2.08 15.84 17.58 93.11 52.36 -65.89 -40.06 9.25 0.09 90.66 3.19 1.49 4.75 88.55 1.91 0.01 0.04 0.05 14 D H H 64.33 7.27 14.17 22.77 92.82 50.75 -66.93 -39.53 7.04 0.06 92.90 2.13 0.92 3.99 91.35 1.54 0.01 0.03 0.03 15 M H H 82.04 7.02 14.60 22.90 92.58 51.59 -65.36 -40.00 4.51 0.03 95.46 1.43 0.56 2.41 94.53 1.03 0.00 0.01 0.01 16 I H H 98.73 2.00 17.84 19.04 91.89 51.20 -64.42 -41.66 1.45 0.01 98.54 0.46 0.14 0.72 98.27 0.40 0.00 0.00 0.00 17 I H H 77.42 5.17 17.19 23.33 91.98 49.04 -65.06 -41.74 0.60 0.00 99.40 0.13 0.04 0.33 99.26 0.24 0.00 0.00 0.00 18 Q H H 53.93 12.93 14.76 28.21 91.85 50.11 -64.45 -41.30 0.41 0.00 99.59 0.07 0.03 0.25 99.48 0.17 0.00 0.00 0.00 19 F H H 114.23 3.79 18.87 23.09 91.89 50.02 -65.07 -41.22 0.35 0.00 99.65 0.05 0.02 0.22 99.58 0.13 0.00 0.00 0.00 20 I H H 96.32 2.61 20.56 22.38 91.97 48.87 -65.33 -42.10 0.44 0.00 99.55 0.04 0.02 0.31 99.51 0.11 0.00 0.00 0.00 21 V H H 37.09 13.30 17.04 30.85 92.24 48.92 -64.93 -42.25 0.72 0.00 99.27 0.06 0.03 0.53 99.25 0.12 0.00 0.00 0.00 22 L H H 59.51 11.22 18.28 29.99 91.70 50.17 -64.09 -41.38 0.70 0.00 99.30 0.07 0.03 0.48 99.29 0.13 0.00 0.00 0.00 23 G H H 38.70 2.44 22.51 23.67 91.57 50.16 -63.94 -41.55 0.57 0.00 99.43 0.05 0.02 0.38 99.45 0.09 0.00 0.00 0.00 24 G H H 27.07 7.66 19.86 28.43 91.97 50.11 -65.33 -40.78 0.44 0.00 99.56 0.04 0.02 0.28 99.59 0.07 0.00 0.00 0.00 25 I H H 33.17 17.37 16.95 34.07 91.96 50.81 -64.59 -41.72 0.31 0.00 99.69 0.03 0.01 0.18 99.72 0.05 0.00 0.00 0.00 26 I H H 88.85 4.89 22.56 27.64 91.45 49.40 -63.93 -42.17 0.19 0.00 99.80 0.02 0.01 0.12 99.81 0.04 0.00 0.00 0.00 27 L H H 92.93 2.37 24.31 25.18 91.43 49.27 -64.09 -42.13 0.18 0.00 99.82 0.01 0.01 0.11 99.82 0.04 0.00 0.00 0.00 28 S H H 14.83 15.80 17.30 33.86 91.62 50.65 -64.48 -41.37 0.19 0.00 99.81 0.01 0.01 0.12 99.81 0.05 0.00 0.00 0.00 29 S H H 29.14 14.28 18.07 32.55 91.53 51.75 -62.78 -41.80 0.22 0.00 99.78 0.01 0.01 0.15 99.74 0.08 0.00 0.00 0.00 30 V H H 89.58 1.95 23.72 23.66 91.34 49.50 -64.17 -41.85 0.35 0.00 99.65 0.02 0.01 0.28 99.53 0.16 0.00 0.00 0.00 31 L H H 63.84 7.07 19.45 27.47 91.74 50.03 -65.10 -40.11 0.58 0.00 99.42 0.03 0.03 0.48 98.96 0.49 0.00 0.00 0.00 32 M H H 25.48 19.14 12.73 31.67 91.55 53.77 -65.52 -36.29 1.91 0.00 98.08 0.10 0.09 1.71 95.82 2.28 0.00 0.00 0.00 33 I H H 102.54 5.19 17.85 23.84 92.57 51.18 -70.64 -29.41 9.15 0.01 90.83 0.33 0.40 8.39 88.56 2.30 0.01 0.00 0.01 34 V H H 107.46 1.63 18.61 19.09 96.08 45.19 -88.63 -19.76 22.28 0.07 77.64 1.58 2.34 18.20 76.01 1.75 0.04 0.02 0.05 35 T C C 41.29 13.37 9.56 23.27 115.11 80.54 -94.90 125.63 86.88 0.63 12.50 71.76 6.01 7.44 13.15 0.96 0.00 0.19 0.49 36 R C C 174.41 2.75 16.37 20.43 97.73 -167.83 -91.60 -12.91 97.67 0.38 1.95 57.73 34.59 5.39 1.43 0.42 0.00 0.12 0.31 37 D C S 78.80 4.18 18.21 23.22 115.95 89.55 -94.36 130.82 97.97 1.00 1.04 41.58 55.08 1.04 0.94 0.13 0.00 0.15 1.08 38 L H H 70.18 14.42 13.72 28.26 92.59 -141.56 -60.97 -37.94 2.96 0.00 97.04 0.24 0.61 1.91 96.96 0.27 0.00 0.00 0.00 39 L H H 98.62 4.72 19.85 24.87 91.59 53.33 -63.76 -41.80 1.28 0.00 98.72 0.07 0.09 1.01 98.55 0.28 0.00 0.00 0.00 40 V H H 62.21 5.32 21.32 27.24 91.71 47.28 -65.91 -40.79 0.38 0.00 99.61 0.04 0.02 0.26 99.42 0.27 0.00 0.00 0.00 41 A H H 8.57 18.41 16.35 35.41 91.32 52.40 -62.91 -43.06 0.12 0.00 99.88 0.02 0.00 0.07 99.83 0.08 0.00 0.00 0.00 42 V H H 39.00 15.00 21.53 36.14 91.72 49.85 -63.82 -42.56 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 43 L H H 88.83 4.30 26.44 30.38 91.54 49.37 -64.00 -42.20 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 44 A H H 27.20 11.23 23.72 35.47 91.62 49.82 -64.13 -42.26 0.04 0.00 99.96 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 45 S H H 13.23 20.43 21.48 41.07 91.47 50.00 -64.03 -42.33 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.02 0.00 0.00 0.00 46 A H H 34.68 12.37 23.64 35.91 91.52 50.70 -63.18 -42.22 0.08 0.00 99.92 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 47 A H H 51.39 4.54 26.81 31.37 91.43 49.82 -64.05 -42.45 0.14 0.00 99.86 0.00 0.00 0.10 99.87 0.02 0.00 0.00 0.00 48 M H H 43.61 13.77 23.99 37.56 91.87 49.02 -64.87 -42.35 0.16 0.00 99.84 0.01 0.00 0.10 99.86 0.02 0.00 0.00 0.00 49 S H H 11.84 20.74 20.07 40.21 91.78 51.21 -63.21 -42.55 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 50 L H H 76.34 8.34 25.15 33.51 91.56 49.94 -63.74 -42.14 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 51 L H H 75.91 5.18 25.96 31.15 91.64 49.49 -64.16 -42.38 0.07 0.00 99.93 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 52 L H H 29.06 16.44 21.77 37.88 91.99 49.51 -64.39 -42.13 0.20 0.00 99.80 0.01 0.00 0.16 99.79 0.03 0.00 0.00 0.00 53 S H H 16.71 17.45 19.17 36.59 91.68 51.30 -63.19 -42.09 0.55 0.00 99.45 0.03 0.02 0.46 99.41 0.08 0.00 0.00 0.00 54 L H H 81.65 4.49 24.08 28.10 91.55 50.13 -63.79 -42.28 0.40 0.00 99.60 0.02 0.01 0.30 99.57 0.10 0.00 0.00 0.00 55 E H H 68.46 7.38 21.13 29.04 91.85 50.08 -64.23 -42.05 0.37 0.00 99.63 0.02 0.02 0.29 99.46 0.22 0.00 0.00 0.00 56 F H H 27.54 16.29 14.94 31.85 91.87 50.22 -64.20 -41.73 0.58 0.00 99.41 0.03 0.02 0.46 98.91 0.57 0.00 0.00 0.00 57 Y H H 106.91 8.67 16.07 25.57 92.20 50.07 -64.32 -41.08 1.55 0.00 98.44 0.06 0.06 1.36 97.74 0.77 0.00 0.00 0.00 58 M H H 125.30 2.46 17.13 19.82 91.48 51.39 -65.81 -33.25 7.56 0.00 92.44 0.12 0.24 7.39 91.61 0.62 0.01 0.00 0.00 59 L C T 86.27 6.08 14.22 21.60 93.84 47.01 -91.42 2.93 84.58 0.01 15.41 0.25 1.43 82.37 15.37 0.56 0.00 0.00 0.01 60 H C T 144.71 3.25 16.55 21.16 93.63 -115.73 63.31 32.75 99.01 0.00 0.99 0.91 1.24 96.96 0.81 0.07 0.00 0.00 0.00 61 A C C 33.02 10.35 12.92 25.04 106.13 142.97 -103.61 84.89 99.63 0.05 0.32 98.82 0.77 0.11 0.24 0.02 0.00 0.01 0.04 62 P H H 69.13 9.25 15.55 26.09 94.17 169.59 -63.70 -34.84 12.33 0.01 87.66 3.51 1.57 6.62 87.04 1.24 0.00 0.00 0.01 63 D H H 95.82 2.93 21.43 24.18 92.28 55.17 -65.85 -39.46 4.59 0.00 95.41 0.50 0.41 3.38 94.75 0.96 0.00 0.00 0.00 64 V H H 51.60 8.85 20.47 30.09 92.17 48.95 -65.95 -41.10 0.78 0.00 99.22 0.14 0.06 0.45 98.75 0.60 0.00 0.00 0.00 65 A H H 9.66 19.74 15.75 35.62 91.42 52.08 -62.34 -43.31 0.21 0.00 99.79 0.04 0.01 0.11 99.65 0.19 0.00 0.00 0.00 66 I H H 81.20 7.66 24.04 31.83 91.87 49.14 -64.44 -41.84 0.12 0.00 99.88 0.01 0.01 0.07 99.83 0.08 0.00 0.00 0.00 67 A H H 51.59 4.23 25.29 29.23 91.55 49.71 -63.88 -42.40 0.10 0.00 99.90 0.01 0.00 0.06 99.89 0.04 0.00 0.00 0.00 68 E H H 37.43 16.09 21.83 37.43 92.11 49.04 -64.90 -41.72 0.12 0.00 99.88 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 69 A H H 17.79 19.07 20.03 38.30 91.44 50.96 -62.76 -42.27 0.14 0.00 99.86 0.01 0.01 0.09 99.85 0.04 0.00 0.00 0.00 70 A H H 56.37 5.35 25.72 31.20 91.65 49.54 -64.16 -41.88 0.27 0.00 99.73 0.02 0.01 0.19 99.71 0.08 0.00 0.00 0.00 71 V H H 71.17 5.37 26.13 31.48 91.84 47.97 -64.41 -42.49 0.65 0.00 99.35 0.03 0.02 0.54 99.27 0.14 0.00 0.00 0.00 72 G H H 8.92 17.63 20.27 37.84 92.19 49.39 -64.45 -42.25 1.53 0.00 98.47 0.08 0.06 1.26 98.42 0.18 0.00 0.00 0.00 73 A H H 28.41 14.71 20.74 35.19 91.54 51.49 -63.56 -41.73 2.28 0.01 97.71 0.20 0.18 1.69 97.62 0.29 0.00 0.00 0.00 74 G H H 38.00 3.43 24.77 27.56 91.69 50.30 -63.83 -42.38 3.10 0.00 96.89 0.18 0.18 2.52 96.87 0.24 0.00 0.00 0.00 75 V H H 69.76 5.74 23.78 29.63 92.07 48.22 -65.38 -41.91 1.24 0.00 98.75 0.12 0.08 0.85 98.79 0.16 0.00 0.00 0.00 76 V H H 20.94 18.05 18.13 36.01 92.01 49.63 -64.29 -42.50 0.48 0.00 99.52 0.08 0.03 0.24 99.58 0.06 0.00 0.00 0.00 77 T H H 51.40 10.20 20.51 30.99 91.81 50.29 -63.44 -41.65 0.34 0.00 99.66 0.05 0.02 0.17 99.72 0.04 0.00 0.00 0.00 78 A H H 60.76 2.42 23.16 24.10 91.49 49.76 -63.85 -41.96 0.17 0.00 99.83 0.02 0.01 0.09 99.86 0.03 0.00 0.00 0.00 79 L H H 62.99 8.58 20.12 29.39 92.07 49.33 -64.73 -41.85 0.12 0.00 99.88 0.01 0.01 0.06 99.89 0.03 0.00 0.00 0.00 80 V H H 33.84 15.97 16.64 32.56 91.70 50.17 -63.96 -42.32 0.14 0.00 99.86 0.02 0.01 0.08 99.87 0.03 0.00 0.00 0.00 81 M H H 97.09 4.18 20.60 24.84 91.55 49.81 -63.70 -42.08 0.20 0.00 99.80 0.02 0.01 0.12 99.80 0.05 0.00 0.00 0.00 82 Y H H 127.40 2.24 20.99 22.11 91.97 49.09 -64.72 -41.75 0.39 0.00 99.61 0.04 0.02 0.25 99.57 0.11 0.00 0.00 0.00 83 A H H 22.38 11.99 15.78 29.17 92.00 50.32 -64.37 -41.90 1.10 0.00 98.90 0.12 0.07 0.76 98.72 0.32 0.00 0.00 0.00 84 I H H 62.06 10.18 16.57 27.65 91.88 49.61 -64.49 -40.94 3.00 0.02 96.98 0.40 0.26 2.11 96.45 0.77 0.00 0.01 0.00 85 S H H 65.11 2.25 19.05 20.46 92.10 50.96 -65.42 -38.53 10.71 0.05 89.25 1.55 1.02 7.66 88.30 1.42 0.01 0.02 0.02 86 K H H 109.37 3.91 17.48 21.81 93.31 49.52 -73.78 -30.29 28.96 0.14 70.90 5.29 3.34 19.74 69.24 2.23 0.02 0.06 0.08 87 T H H 34.26 12.33 11.94 25.11 97.61 54.31 -77.61 -32.26 35.77 0.45 63.78 18.24 6.90 11.28 60.06 3.11 0.01 0.18 0.22 88 E H H 102.69 3.71 16.08 20.50 93.28 65.54 -64.24 -39.44 34.78 0.50 64.72 22.00 5.38 7.91 59.25 5.00 0.01 0.24 0.21 89 R H H 128.27 2.44 15.44 18.05 93.29 52.99 -65.76 -38.70 33.34 0.49 66.17 20.18 4.82 8.97 59.17 6.39 0.01 0.24 0.21 90 W H H 110.08 6.04 12.57 20.25 93.28 51.80 -67.49 -38.06 29.25 0.57 70.18 18.17 4.55 7.58 61.27 7.89 0.01 0.29 0.24 91 E H H 95.88 6.21 11.29 19.11 92.70 55.46 -66.84 -34.86 30.79 0.63 68.58 18.13 5.18 8.53 58.43 9.14 0.01 0.32 0.26 92 R H H 168.22 1.38 12.60 14.16 93.91 53.68 -72.39 -27.27 41.72 0.63 57.65 19.18 8.17 15.59 48.67 7.74 0.02 0.29 0.33 93 E C H 136.46 1.89 11.13 13.71 98.05 52.40 -83.57 -14.05 58.17 0.60 41.23 28.10 11.36 20.25 34.07 5.56 0.01 0.22 0.43 94 A C C 58.79 6.18 7.51 15.30 114.89 90.99 -90.21 135.88 99.59 0.11 0.30 90.18 8.61 0.81 0.22 0.06 0.00 0.04 0.08 95 P C C 104.28 2.27 12.72 15.98 108.09 -107.49 -68.62 135.89 99.98 0.01 0.01 99.83 0.10 0.05 0.00 0.00 0.00 0.00 0.00