# 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 105.11 7.15 15.03 23.14 116.38 -140.23 -93.97 135.25 99.94 0.04 0.01 99.89 0.05 0.03 0.00 0.00 0.00 0.02 0.00 1 A C C 66.17 6.85 13.75 21.91 116.27 -124.02 -84.37 140.31 94.38 2.06 3.56 90.43 1.46 2.86 2.63 0.60 0.00 0.93 1.09 2 L C C 42.57 16.65 9.09 24.90 115.12 -115.99 -86.71 135.00 95.02 1.31 3.67 76.99 15.59 2.26 3.19 0.64 0.00 0.52 0.79 3 T C C 68.05 3.23 16.28 19.91 119.26 -125.80 -79.96 161.69 95.20 0.64 4.16 90.70 3.40 1.00 3.99 0.34 0.00 0.21 0.36 4 Q H H 124.55 4.05 12.16 18.18 92.18 -109.63 -59.57 -38.64 4.87 0.02 95.11 1.73 1.12 1.93 94.58 0.62 0.00 0.01 0.01 5 E H H 133.61 1.09 15.94 15.80 92.16 52.49 -64.78 -40.41 2.78 0.01 97.21 0.67 0.38 1.53 96.75 0.66 0.00 0.00 0.00 6 R H H 90.74 8.21 14.69 24.21 92.18 48.31 -66.28 -39.58 1.68 0.01 98.31 0.59 0.20 0.84 97.64 0.73 0.00 0.01 0.00 7 K H H 50.09 16.36 13.15 29.25 91.36 52.78 -62.46 -42.24 0.75 0.00 99.25 0.23 0.07 0.36 99.14 0.21 0.00 0.00 0.00 8 N H H 86.43 3.72 19.63 23.68 91.54 50.41 -64.37 -39.92 0.55 0.00 99.45 0.12 0.04 0.28 99.46 0.10 0.00 0.00 0.00 9 E H H 100.86 2.43 21.33 22.63 91.84 50.24 -64.88 -41.53 0.44 0.00 99.56 0.07 0.03 0.25 99.54 0.11 0.00 0.00 0.00 10 I H H 15.12 16.36 16.28 33.63 91.97 49.35 -63.76 -43.54 0.56 0.00 99.44 0.07 0.04 0.35 99.34 0.20 0.00 0.00 0.00 11 I H H 29.05 16.68 15.99 32.90 91.82 49.91 -63.37 -41.38 0.72 0.00 99.27 0.08 0.05 0.51 98.79 0.56 0.00 0.00 0.00 12 A H H 69.18 2.45 20.55 22.43 91.84 52.06 -64.71 -37.54 3.03 0.00 96.96 0.14 0.12 2.73 93.52 3.49 0.00 0.00 0.00 13 E H H 110.88 4.28 19.62 24.34 92.32 50.95 -69.36 -31.85 12.56 0.01 87.44 0.29 0.43 12.15 83.28 3.83 0.01 0.00 0.00 14 Y H H 40.20 17.75 13.11 30.67 99.07 42.26 -99.64 -2.20 32.57 0.10 67.32 3.64 3.86 24.89 62.90 4.53 0.05 0.03 0.10 15 R C C 102.44 12.30 14.40 27.05 108.97 113.60 -70.28 118.38 88.33 0.97 10.70 64.61 7.78 15.90 7.34 3.03 0.00 0.34 0.99 16 V C C 92.24 5.65 16.12 22.93 101.11 167.97 -96.48 -18.73 92.50 0.95 6.55 50.70 25.97 15.79 3.16 3.16 0.00 0.33 0.89 17 H C C 93.36 4.54 14.58 20.47 129.63 35.67 -126.97 154.62 95.06 2.50 2.44 52.62 38.10 3.60 0.90 1.28 0.00 0.54 2.97 18 D C T 120.67 2.52 12.91 17.28 92.03 -113.75 -63.46 -26.08 98.95 0.13 0.92 1.18 8.67 89.16 0.09 0.76 0.00 0.08 0.06 19 T C T 106.26 1.80 15.38 17.40 96.09 54.31 -91.03 1.32 99.32 0.13 0.55 2.52 6.67 90.09 0.06 0.52 0.00 0.09 0.05 20 D C C 36.75 15.46 9.65 25.24 108.24 116.72 -76.32 110.90 97.61 2.14 0.25 89.49 7.09 0.60 0.08 0.16 0.00 0.66 1.93 21 T C C 83.56 5.99 18.46 25.39 101.22 171.20 -100.08 0.39 99.25 0.42 0.33 67.38 7.61 24.26 0.09 0.20 0.00 0.20 0.27 22 G C S 32.01 12.44 17.27 29.42 98.74 56.18 69.15 4.84 99.13 0.50 0.37 27.19 42.81 29.17 0.09 0.26 0.00 0.21 0.27 23 S C C 38.67 8.12 20.81 30.03 116.70 139.80 -75.79 141.74 99.45 0.26 0.29 84.11 15.08 0.14 0.28 0.03 0.00 0.04 0.31 24 P H H 39.94 17.19 17.13 34.14 92.21 -124.09 -60.05 -36.40 1.53 0.00 98.47 0.18 0.18 0.93 98.52 0.18 0.00 0.00 0.00 25 E H H 91.84 10.52 22.17 32.63 91.70 55.51 -63.82 -40.17 0.50 0.00 99.50 0.04 0.03 0.34 99.45 0.14 0.00 0.00 0.00 26 V H H 31.66 12.93 21.81 35.18 92.18 49.31 -65.80 -41.88 0.08 0.00 99.92 0.01 0.00 0.05 99.87 0.07 0.00 0.00 0.00 27 Q H H 37.68 17.59 22.80 39.31 91.75 50.82 -63.87 -42.71 0.04 0.00 99.96 0.00 0.00 0.02 99.95 0.02 0.00 0.00 0.00 28 I H H 18.46 19.80 22.72 41.82 91.53 49.69 -63.79 -43.04 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 29 A H H 30.12 11.01 25.31 36.85 91.67 50.60 -63.72 -42.16 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 30 V H H 34.80 13.27 24.98 38.32 91.75 49.48 -64.44 -42.87 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 31 L H H 14.46 20.92 22.68 42.93 91.76 49.70 -64.49 -42.71 0.10 0.00 99.90 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 32 T H H 33.37 14.85 23.34 37.74 91.81 50.56 -63.91 -41.77 0.13 0.00 99.87 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 33 A H H 39.73 7.18 24.68 32.51 91.69 50.25 -64.20 -42.02 0.10 0.00 99.90 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 34 E H H 57.60 12.92 23.32 35.87 91.95 49.52 -64.77 -41.64 0.17 0.00 99.83 0.01 0.00 0.10 99.86 0.02 0.00 0.00 0.00 35 I H H 14.09 20.61 19.21 39.59 91.67 50.09 -63.79 -42.50 0.25 0.00 99.75 0.02 0.01 0.17 99.77 0.04 0.00 0.00 0.00 36 N H H 75.91 6.56 23.86 30.61 91.57 50.90 -64.08 -40.43 0.91 0.00 99.09 0.05 0.04 0.66 99.17 0.08 0.00 0.00 0.00 37 S H H 46.40 5.46 22.89 28.68 91.86 50.14 -65.15 -40.48 2.44 0.00 97.56 0.14 0.11 1.85 97.74 0.15 0.00 0.00 0.00 38 L H H 16.21 18.30 17.54 36.04 92.14 51.12 -65.01 -40.84 1.33 0.00 98.66 0.11 0.10 0.92 98.68 0.19 0.00 0.00 0.00 39 N H H 51.95 11.85 18.95 31.20 91.60 53.01 -63.20 -40.95 0.74 0.00 99.26 0.09 0.04 0.46 99.19 0.20 0.00 0.00 0.00 40 E H H 105.80 2.01 22.48 22.72 91.85 50.17 -64.53 -41.29 0.86 0.00 99.14 0.09 0.05 0.62 98.87 0.37 0.00 0.00 0.00 41 H H H 56.94 8.42 17.39 27.39 92.17 49.57 -65.60 -40.67 1.12 0.00 98.88 0.10 0.07 0.86 98.27 0.70 0.00 0.00 0.00 42 V H H 24.73 15.44 12.19 28.19 91.97 51.18 -65.85 -37.37 2.26 0.00 97.74 0.17 0.16 1.80 96.63 1.23 0.00 0.00 0.00 43 R H H 154.56 2.42 16.29 19.25 92.53 51.21 -67.31 -34.54 8.39 0.01 91.60 0.37 0.46 7.43 90.64 1.09 0.01 0.00 0.00 44 V H H 105.12 1.61 15.37 16.46 96.92 42.09 -80.45 -32.85 17.10 0.02 82.88 0.78 2.02 13.94 82.44 0.78 0.02 0.00 0.02 45 H C C 86.83 7.47 10.23 19.15 107.79 37.70 -114.86 62.12 83.16 0.31 16.53 45.75 19.53 16.20 16.64 1.46 0.00 0.07 0.33 46 K C T 147.80 3.39 12.56 17.77 98.35 -160.39 -55.10 -3.62 94.04 0.20 5.76 19.38 12.72 62.10 2.24 3.32 0.00 0.09 0.15 47 K C T 150.76 2.45 13.75 16.80 98.43 51.86 -83.16 22.32 94.06 0.22 5.72 13.63 19.62 60.97 1.89 3.63 0.00 0.09 0.18 48 D C C 56.52 9.03 10.11 20.70 107.85 105.17 -96.34 102.37 92.85 0.31 6.84 82.17 7.52 3.65 3.93 2.32 0.00 0.10 0.31 49 H H H 127.92 3.48 14.24 19.32 94.56 -172.92 -68.94 -30.87 33.66 0.18 66.16 13.54 6.31 14.42 57.59 7.95 0.01 0.06 0.12 50 H H H 118.65 2.83 17.00 19.89 93.13 57.14 -67.05 -34.85 21.48 0.09 78.43 5.35 2.96 12.81 71.24 7.53 0.02 0.04 0.05 51 S H H 24.68 12.09 13.68 26.99 92.53 53.71 -66.43 -39.47 12.07 0.08 87.85 4.96 1.63 5.27 81.18 6.87 0.01 0.04 0.03 52 Y H H 96.12 10.47 16.85 27.75 92.35 52.61 -64.08 -40.66 5.10 0.04 94.86 2.15 0.79 2.20 92.54 2.28 0.00 0.02 0.02 53 R H H 133.76 2.09 21.82 22.61 91.84 50.69 -64.12 -41.80 1.56 0.00 98.44 0.40 0.19 0.80 98.12 0.48 0.00 0.00 0.00 54 G H H 20.79 7.71 18.76 27.92 91.82 50.88 -63.69 -42.09 1.30 0.00 98.70 0.29 0.13 0.72 98.48 0.37 0.00 0.00 0.00 55 L H H 25.23 17.72 15.94 33.65 92.09 50.35 -64.31 -41.76 0.60 0.00 99.40 0.11 0.05 0.34 99.27 0.23 0.00 0.00 0.00 56 M H H 96.80 5.61 21.03 27.16 91.65 50.98 -64.35 -40.80 0.34 0.00 99.65 0.05 0.02 0.20 99.59 0.13 0.00 0.00 0.00 57 K H H 123.35 2.27 22.78 23.83 91.88 49.76 -65.04 -40.93 0.54 0.00 99.46 0.06 0.03 0.37 99.42 0.13 0.00 0.00 0.00 58 M H H 34.22 14.60 18.27 33.30 91.93 49.14 -65.30 -41.64 0.84 0.00 99.16 0.08 0.05 0.59 99.12 0.16 0.00 0.00 0.00 59 V H H 29.84 15.24 18.27 33.78 91.66 50.55 -63.81 -42.48 0.59 0.00 99.41 0.07 0.04 0.38 99.42 0.10 0.00 0.00 0.00 60 G H H 33.22 3.03 22.44 24.90 91.29 51.33 -62.92 -42.56 0.83 0.00 99.17 0.10 0.04 0.54 99.22 0.10 0.00 0.00 0.00 61 H H H 88.85 6.01 22.10 28.39 91.68 49.34 -64.93 -41.10 0.62 0.00 99.38 0.07 0.04 0.40 99.41 0.09 0.00 0.00 0.00 62 R H H 35.40 19.12 17.39 35.89 91.84 50.79 -63.81 -41.54 0.27 0.00 99.73 0.03 0.01 0.16 99.73 0.05 0.00 0.00 0.00 63 R H H 113.23 8.54 21.41 30.33 91.32 51.69 -62.75 -41.26 0.16 0.00 99.84 0.01 0.01 0.10 99.84 0.04 0.00 0.00 0.00 64 N H H 88.69 2.38 24.27 25.23 91.60 49.98 -64.44 -41.48 0.21 0.00 99.79 0.01 0.01 0.15 99.78 0.05 0.00 0.00 0.00 65 L H H 24.62 15.12 20.10 35.64 91.62 49.80 -64.42 -42.80 0.24 0.00 99.76 0.01 0.01 0.17 99.74 0.06 0.00 0.00 0.00 66 L H H 15.25 19.31 17.82 37.22 91.52 51.23 -63.13 -41.78 0.28 0.00 99.72 0.02 0.01 0.17 99.69 0.10 0.00 0.00 0.00 67 T H H 65.94 3.57 23.23 26.29 91.45 50.98 -63.51 -41.76 0.65 0.00 99.35 0.05 0.03 0.47 99.17 0.28 0.00 0.00 0.00 68 Y H H 82.55 5.44 20.94 27.26 91.66 50.17 -63.84 -42.05 1.07 0.00 98.93 0.08 0.06 0.82 98.45 0.58 0.00 0.00 0.00 69 L H H 10.82 18.67 14.17 33.55 91.95 50.10 -65.15 -40.99 1.98 0.00 98.02 0.20 0.16 1.43 96.98 1.22 0.00 0.00 0.00 70 R H H 99.88 11.27 15.45 27.14 91.55 54.61 -64.35 -35.89 8.27 0.01 91.71 0.56 0.47 7.02 90.22 1.71 0.01 0.00 0.01 71 K H H 154.07 1.20 18.06 18.04 92.63 50.57 -71.94 -27.76 20.13 0.02 79.85 0.84 1.22 17.57 79.05 1.28 0.01 0.01 0.01 72 K H H 117.43 4.63 15.17 20.80 100.65 38.59 -92.35 -26.71 49.04 0.13 50.83 3.20 14.64 28.73 52.27 0.98 0.02 0.03 0.12 73 D C C 66.29 7.09 14.91 23.34 113.46 3.71 -137.37 95.69 97.47 0.24 2.30 91.94 2.32 3.06 2.20 0.22 0.00 0.07 0.19 74 V H H 66.28 11.22 12.06 24.37 93.98 -169.59 -63.20 -36.30 2.07 0.00 97.92 0.52 0.23 1.02 97.92 0.32 0.00 0.00 0.00 75 Q H H 124.19 1.39 19.38 19.40 91.56 53.91 -63.74 -41.29 0.76 0.00 99.24 0.06 0.05 0.54 99.07 0.28 0.00 0.00 0.00 76 R H H 95.78 6.43 18.43 25.83 91.85 48.65 -65.47 -40.71 0.28 0.00 99.72 0.04 0.01 0.17 99.52 0.26 0.00 0.00 0.00 77 Y H H 14.71 21.04 13.50 34.60 91.58 50.99 -63.18 -43.20 0.10 0.00 99.90 0.01 0.00 0.06 99.86 0.06 0.00 0.00 0.00 78 R H H 108.21 7.03 20.46 28.18 91.30 51.19 -62.99 -41.49 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.02 0.00 0.00 0.00 79 E H H 94.97 2.34 22.45 23.38 91.43 50.06 -63.76 -42.31 0.09 0.00 99.91 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 80 L H H 15.69 15.87 17.28 34.24 91.91 49.69 -64.21 -42.98 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 81 I H H 18.30 18.16 14.98 33.48 91.81 49.65 -63.81 -42.77 0.29 0.00 99.71 0.03 0.01 0.18 99.68 0.10 0.00 0.00 0.00 82 K H H 142.36 1.76 19.17 20.55 91.57 49.39 -64.18 -40.42 0.86 0.00 99.14 0.06 0.03 0.65 98.95 0.31 0.00 0.00 0.00 83 R H H 144.10 3.25 17.63 21.49 91.63 50.62 -66.18 -34.77 4.33 0.00 95.67 0.13 0.15 3.99 95.31 0.42 0.00 0.00 0.00 84 L H H 34.98 16.31 12.38 28.87 94.13 47.29 -87.35 -7.65 43.51 0.03 56.45 0.70 1.66 40.17 56.49 0.93 0.01 0.01 0.03 85 G C T 50.14 2.60 20.21 22.55 96.98 -115.12 76.06 21.66 98.30 0.06 1.64 8.03 3.04 87.48 1.15 0.26 0.00 0.03 0.03 86 L C C 38.20 18.07 8.48 25.31 114.45 147.75 -88.60 131.77 96.37 0.90 2.73 85.19 6.05 5.46 1.27 1.10 0.00 0.44 0.50 87 R C C 157.10 2.85 15.28 19.43 118.36 -158.02 -103.36 141.38 96.03 2.09 1.88 91.92 1.15 3.54 0.85 0.56 0.00 1.00 0.99 88 R C C 151.32 6.32 13.54 21.58 109.95 -112.99 -75.37 131.06 99.96 0.04 0.00 99.92 0.05 0.01 0.00 0.00 0.00 0.02 0.00