# 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 99.44 6.49 12.52 20.21 110.99 -155.90 -87.12 119.82 99.77 0.10 0.14 99.71 0.07 0.07 0.08 0.01 0.00 0.04 0.02 1 L C C 95.72 5.05 10.05 16.61 104.18 -153.94 -76.08 7.78 65.95 1.57 32.48 57.11 1.39 7.49 29.71 2.78 0.00 0.79 0.71 2 K C H 133.50 3.02 10.56 14.96 99.53 59.01 -74.59 -30.13 51.50 1.41 47.09 29.23 10.46 12.50 42.58 3.92 0.02 0.67 0.62 3 N H H 92.31 3.81 10.93 16.15 99.16 58.76 -76.47 -26.89 38.14 0.97 60.89 24.19 7.91 7.74 54.38 4.92 0.02 0.47 0.38 4 K H H 121.00 3.05 12.28 16.41 95.46 61.84 -68.54 -36.38 18.90 0.88 80.22 9.75 3.69 7.28 71.55 6.81 0.05 0.56 0.30 5 L H H 82.61 4.73 12.12 18.36 94.16 53.60 -67.75 -38.86 15.34 0.98 83.67 6.82 2.90 6.91 74.31 7.99 0.07 0.71 0.28 6 I H H 77.81 5.51 12.45 19.59 94.68 51.53 -68.98 -38.34 19.20 1.52 79.28 8.95 3.80 7.99 71.22 6.47 0.09 1.02 0.45 7 K H H 114.89 3.22 15.00 18.91 94.71 52.78 -69.26 -37.04 33.00 1.15 65.85 14.99 5.25 13.79 60.48 4.38 0.04 0.62 0.45 8 F H H 103.37 4.50 13.26 19.05 95.85 57.24 -69.34 -37.53 29.36 0.72 69.92 15.21 6.12 9.20 65.76 3.03 0.03 0.33 0.32 9 K H H 113.49 3.56 14.74 19.17 94.30 54.37 -66.71 -38.33 14.04 0.24 85.71 4.57 2.28 7.97 80.91 3.99 0.04 0.12 0.11 10 F H H 95.27 5.61 13.66 20.67 93.21 51.64 -66.27 -40.00 9.30 0.16 90.53 2.57 1.31 5.82 85.39 4.72 0.04 0.09 0.07 11 F H H 101.35 4.58 14.32 20.26 93.17 51.31 -66.09 -39.47 5.27 0.12 94.62 1.80 0.79 2.90 89.63 4.75 0.02 0.07 0.03 12 R H H 130.83 3.04 15.50 19.14 92.95 51.56 -65.92 -39.55 6.48 0.18 93.33 1.90 0.93 3.97 88.62 4.35 0.04 0.11 0.06 13 F H H 97.63 5.08 14.04 20.47 93.76 49.62 -67.95 -39.45 8.79 0.29 90.92 2.45 1.35 5.50 86.04 4.31 0.07 0.18 0.10 14 V H H 72.17 6.09 13.69 21.15 94.85 49.53 -69.65 -37.13 14.38 0.65 84.97 5.05 2.66 7.83 80.73 3.01 0.10 0.39 0.24 15 Q H H 111.12 3.33 14.50 18.67 96.33 51.65 -72.85 -25.84 27.82 0.60 71.58 7.72 4.44 16.52 68.31 2.36 0.08 0.29 0.28 16 S C H 59.50 4.64 13.01 18.91 101.01 54.05 -81.43 -16.45 52.37 0.70 46.94 11.58 12.88 27.60 44.99 2.24 0.07 0.26 0.39 17 G C H 40.89 5.25 13.89 20.27 99.07 -102.61 -22.97 -16.18 54.19 0.66 45.15 12.90 13.74 27.18 42.72 2.81 0.05 0.26 0.34 18 F H H 114.68 4.11 13.91 19.15 96.09 77.35 -70.31 -35.00 25.97 0.60 73.43 11.17 4.44 10.98 70.47 2.35 0.04 0.31 0.23 19 Y H H 109.55 5.81 14.46 21.59 94.08 54.55 -66.82 -39.60 9.51 0.59 89.90 4.46 1.44 4.13 87.40 1.96 0.02 0.45 0.14 20 V H H 69.00 5.62 15.14 21.99 93.04 51.22 -65.56 -40.99 3.32 0.39 96.28 1.50 0.46 1.42 95.09 1.11 0.01 0.37 0.05 21 D H H 74.70 3.61 16.74 20.97 92.66 51.32 -65.54 -40.07 1.86 0.15 97.99 0.79 0.22 0.81 97.32 0.71 0.00 0.13 0.02 22 F H H 91.87 4.67 16.19 21.95 92.58 50.71 -65.62 -41.90 1.19 0.06 98.76 0.42 0.13 0.59 98.36 0.44 0.00 0.04 0.01 23 I H H 66.23 7.02 15.43 23.87 92.47 50.03 -64.87 -42.12 0.96 0.03 99.02 0.29 0.10 0.52 98.79 0.28 0.00 0.02 0.01 24 F H H 103.32 4.70 16.65 22.15 92.31 49.39 -64.81 -41.33 1.04 0.02 98.95 0.27 0.10 0.59 98.79 0.23 0.00 0.01 0.00 25 K H H 114.00 2.86 17.51 20.48 92.40 50.40 -65.13 -40.64 1.84 0.02 98.14 0.39 0.16 1.14 97.97 0.31 0.01 0.01 0.01 26 K H H 98.25 5.18 16.80 22.83 92.90 49.51 -66.02 -40.64 3.29 0.02 96.69 0.47 0.25 2.33 96.50 0.41 0.01 0.01 0.01 27 F H H 87.33 6.73 15.90 23.77 92.99 49.30 -65.84 -40.95 3.61 0.05 96.34 1.24 0.49 1.81 95.72 0.70 0.01 0.03 0.02 28 S H H 50.43 3.98 16.55 21.54 92.31 51.40 -64.42 -41.05 4.59 0.33 95.08 1.99 0.62 2.06 93.96 1.03 0.02 0.24 0.08 29 E H H 96.70 3.06 17.09 20.37 92.58 50.61 -65.61 -40.36 6.60 0.44 92.96 1.83 0.81 3.90 91.68 1.33 0.04 0.31 0.11 30 M H H 78.26 5.85 15.45 22.53 92.50 50.53 -65.46 -40.99 8.08 0.67 91.24 2.69 1.21 4.41 89.43 1.57 0.06 0.46 0.19 31 F H H 100.38 5.29 15.37 21.68 93.09 49.63 -65.79 -40.85 10.35 2.00 87.66 4.52 1.74 4.69 85.47 1.65 0.05 1.39 0.49 32 I H H 95.56 2.72 16.30 19.24 92.89 49.59 -66.36 -40.13 15.15 1.78 83.08 6.47 2.59 6.85 80.56 1.83 0.05 1.17 0.47 33 R H H 130.69 3.15 16.18 19.78 93.95 49.90 -67.76 -37.98 22.70 1.36 75.93 6.70 3.72 12.33 73.69 2.17 0.06 1.00 0.34 34 N H H 67.94 7.03 14.11 22.39 95.12 47.82 -71.23 -35.51 34.10 1.83 64.07 10.38 4.94 18.99 61.14 2.78 0.07 1.24 0.46 35 I H H 87.06 4.76 14.99 20.82 93.86 53.62 -67.57 -40.18 28.42 6.02 65.56 10.01 5.32 13.95 60.75 4.00 0.16 5.02 0.79 36 F H H 120.35 2.87 16.11 19.31 93.69 50.28 -67.45 -39.93 25.44 9.57 64.99 10.69 4.92 11.21 58.54 5.15 0.29 8.16 1.06 37 I H H 81.10 5.26 15.31 21.56 93.90 48.83 -67.85 -40.12 23.84 11.90 64.26 10.64 4.62 9.98 58.10 5.05 0.33 10.17 1.11 38 Y H H 110.14 5.94 15.48 22.38 94.52 47.13 -71.30 -37.58 23.57 11.68 64.76 12.00 4.67 8.60 58.80 4.61 0.21 9.97 1.15 39 S H H 53.11 4.61 15.59 21.34 94.39 54.83 -66.49 -38.29 24.70 8.25 67.05 13.04 4.49 8.61 61.42 4.41 0.07 7.30 0.65 40 S H H 56.26 4.40 15.91 21.31 93.78 54.26 -67.15 -37.25 20.63 6.78 72.59 9.46 3.74 8.86 66.04 5.14 0.11 6.08 0.56 41 I H H 84.02 5.78 15.79 22.49 93.69 52.31 -66.52 -40.06 15.89 6.07 78.03 6.72 2.90 7.45 71.91 4.93 0.14 5.46 0.49 42 F H H 105.39 4.38 16.62 21.58 93.29 49.97 -66.23 -41.31 15.72 5.45 78.83 7.15 2.76 7.01 73.32 4.25 0.10 4.91 0.50 43 F H H 108.23 3.42 17.24 20.99 92.96 49.24 -66.37 -40.03 17.31 3.65 79.04 6.76 2.79 8.51 75.16 3.01 0.07 3.33 0.39 44 G H H 25.19 6.47 14.98 23.28 92.73 51.66 -64.25 -40.41 16.82 1.54 81.65 7.45 2.47 7.19 79.56 1.76 0.02 1.32 0.23 45 E H H 91.32 5.47 16.85 23.22 92.60 51.66 -65.24 -40.24 5.67 0.26 94.07 2.56 0.89 2.37 92.86 1.06 0.01 0.17 0.08 46 K H H 115.11 2.95 18.16 21.10 92.50 50.40 -65.86 -40.69 3.19 0.21 96.60 1.40 0.45 1.43 95.62 0.87 0.01 0.16 0.05 47 F H H 94.87 5.08 16.74 22.78 92.60 49.66 -65.72 -41.40 2.46 0.29 97.25 1.16 0.35 1.05 96.37 0.76 0.01 0.25 0.05 48 M H H 77.28 7.23 16.08 24.42 92.23 50.70 -64.87 -41.39 1.99 0.35 97.66 0.93 0.27 0.86 96.99 0.59 0.01 0.32 0.05 49 I H H 84.38 4.03 17.22 22.00 92.22 49.77 -64.98 -41.44 2.04 0.35 97.61 0.88 0.26 0.95 96.80 0.74 0.01 0.31 0.05 50 E H H 97.12 3.37 17.69 21.36 92.31 49.99 -65.54 -40.83 2.72 0.36 96.91 0.91 0.32 1.50 95.87 1.03 0.01 0.31 0.06 51 Y H H 95.72 6.19 15.99 23.42 92.85 48.78 -66.25 -40.56 4.82 0.29 94.89 1.21 0.55 3.11 93.14 1.66 0.03 0.22 0.07 52 L H H 74.60 5.98 15.75 22.97 93.14 49.63 -66.84 -38.53 10.55 0.30 89.16 1.88 1.18 7.57 87.41 1.63 0.04 0.18 0.11 53 T H H 69.00 3.78 16.20 20.71 94.42 49.72 -69.98 -37.56 26.77 0.37 72.86 5.06 3.60 18.16 71.19 1.60 0.04 0.16 0.19 54 K H H 110.43 5.01 15.55 21.43 93.97 53.70 -67.08 -40.31 21.74 0.39 77.87 7.44 5.12 9.88 74.87 2.29 0.04 0.17 0.19 55 K H H 120.08 3.51 16.28 20.34 94.31 48.84 -67.18 -40.38 16.48 0.45 83.07 5.66 2.86 8.55 79.44 3.01 0.05 0.27 0.16 56 T H H 64.74 4.40 16.28 21.61 93.61 47.29 -66.96 -41.52 15.11 0.78 84.11 6.51 2.53 7.06 79.96 3.12 0.06 0.54 0.23 57 I H H 68.23 6.16 15.22 22.84 92.52 48.68 -65.48 -41.99 10.78 0.73 88.49 5.12 1.98 4.38 85.09 2.69 0.03 0.51 0.19 58 D H H 69.64 5.05 15.80 22.02 92.62 50.39 -65.38 -39.73 9.90 0.36 89.74 4.96 1.48 4.04 86.03 3.13 0.02 0.24 0.11 59 S H H 57.17 3.15 15.85 19.67 92.52 50.98 -65.78 -39.59 9.22 0.21 90.57 2.62 1.26 5.53 85.79 4.55 0.04 0.14 0.08 60 F H H 109.06 3.93 15.26 19.96 93.41 49.97 -67.25 -39.91 10.31 0.26 89.43 2.09 1.38 7.01 84.01 5.18 0.07 0.16 0.09 61 I H H 81.82 5.60 14.02 20.80 94.18 47.16 -69.58 -39.28 15.41 0.53 84.06 3.22 2.46 10.38 78.55 4.74 0.14 0.32 0.20 62 F H H 119.71 3.66 13.51 18.28 94.13 49.26 -70.64 -32.68 30.03 1.03 68.94 8.83 5.72 17.06 63.01 4.23 0.14 0.54 0.46 63 N H H 102.22 2.91 13.11 16.98 97.05 53.73 -80.17 -10.68 47.52 0.95 51.53 16.86 8.03 23.35 46.79 4.01 0.04 0.46 0.45 64 N C H 93.47 4.47 11.26 17.22 102.61 70.87 -84.82 3.15 56.05 1.19 42.76 24.36 12.79 20.04 36.62 5.03 0.04 0.52 0.60 65 N C C 95.22 4.35 10.92 16.90 102.82 83.94 -83.45 16.27 60.87 1.28 37.85 34.89 11.03 15.11 31.74 6.02 0.01 0.62 0.59 66 R H H 158.01 2.45 12.10 15.64 97.79 96.54 -74.07 -24.99 48.70 1.57 49.73 26.33 9.51 13.84 40.74 8.08 0.03 0.84 0.63 67 F H H 118.68 4.41 11.43 17.21 101.17 61.12 -80.00 -20.55 44.62 1.55 53.83 20.43 10.04 15.26 45.24 7.54 0.05 0.86 0.59 68 N H H 85.01 4.36 13.29 18.85 100.77 57.98 -75.73 -24.30 48.58 1.11 50.31 30.94 5.45 12.25 44.90 5.42 0.01 0.61 0.42 69 F H H 113.61 4.78 12.75 18.93 94.77 72.43 -66.10 -38.60 15.40 0.44 84.16 8.62 2.88 5.14 78.85 4.09 0.02 0.25 0.16 70 I H H 95.36 2.94 14.79 18.33 93.39 51.96 -65.93 -40.28 8.04 0.37 91.59 3.30 1.29 3.77 86.68 4.57 0.02 0.26 0.11 71 N H H 86.06 3.25 15.30 19.28 93.04 50.87 -66.73 -38.70 7.68 0.51 91.81 3.18 1.17 3.71 86.20 5.19 0.03 0.40 0.12 72 L H H 70.30 6.08 13.98 21.58 92.85 51.83 -65.82 -40.46 7.07 0.38 92.55 2.70 1.12 3.61 87.34 4.82 0.03 0.28 0.10 73 V H H 74.59 4.41 15.42 20.90 92.99 49.63 -66.35 -40.24 9.74 0.68 89.58 3.80 1.76 4.92 85.41 3.37 0.05 0.50 0.19 74 E H H 106.82 3.09 16.08 19.65 94.39 50.51 -68.42 -36.42 18.80 0.89 80.31 6.20 3.13 10.18 76.85 2.74 0.06 0.54 0.31 75 S H H 49.97 5.32 13.94 20.77 96.77 54.74 -72.24 -30.80 32.89 0.54 66.57 9.63 5.37 18.12 63.93 2.37 0.05 0.24 0.28 76 K H H 115.77 4.28 15.39 20.54 94.79 59.51 -66.96 -35.24 24.56 0.31 75.12 7.07 4.46 13.52 72.86 1.75 0.04 0.13 0.16 77 Y H H 116.91 4.32 15.24 20.55 93.67 54.86 -66.17 -41.10 13.16 0.20 86.64 3.73 2.05 7.75 84.65 1.59 0.03 0.09 0.10 78 F H H 102.19 4.50 15.54 21.12 92.96 50.14 -65.87 -41.11 5.53 0.12 94.35 2.26 0.74 2.70 93.09 1.09 0.01 0.06 0.05 79 L H H 81.35 4.44 15.85 21.28 92.36 50.51 -65.05 -40.56 1.58 0.03 98.39 0.70 0.20 0.69 97.93 0.46 0.00 0.01 0.01 80 Q H H 92.23 4.26 16.34 21.40 92.56 51.52 -65.16 -40.55 1.15 0.02 98.83 0.46 0.13 0.55 98.56 0.30 0.00 0.01 0.00 81 I H H 80.52 4.56 16.30 21.87 92.37 49.66 -65.36 -41.65 0.72 0.01 99.28 0.23 0.07 0.36 99.17 0.15 0.00 0.00 0.00 82 L H H 81.22 4.19 16.90 21.86 92.06 50.05 -65.02 -41.61 0.34 0.00 99.66 0.10 0.03 0.16 99.64 0.06 0.00 0.00 0.00 83 T H H 58.86 4.87 16.37 22.20 92.05 50.51 -64.47 -41.26 0.37 0.00 99.62 0.09 0.02 0.20 99.63 0.05 0.00 0.00 0.00 84 L H H 78.61 4.84 16.57 22.46 92.15 50.60 -64.77 -41.55 0.22 0.00 99.77 0.04 0.01 0.13 99.78 0.03 0.00 0.00 0.00 85 I H H 83.83 4.39 16.86 21.95 92.12 49.72 -64.90 -41.90 0.20 0.00 99.80 0.04 0.01 0.11 99.80 0.04 0.00 0.00 0.00 86 L H H 81.80 4.01 16.78 21.38 91.94 50.05 -64.97 -41.51 0.35 0.00 99.65 0.06 0.02 0.22 99.65 0.06 0.00 0.00 0.00 87 Y H H 108.59 4.90 16.40 22.11 92.26 49.53 -65.12 -41.20 0.78 0.01 99.21 0.17 0.05 0.48 99.19 0.11 0.00 0.00 0.00 88 L H H 75.28 5.33 15.96 22.50 92.29 50.84 -64.75 -41.04 0.88 0.00 99.12 0.16 0.05 0.54 99.13 0.11 0.00 0.00 0.00 89 F H H 106.81 3.75 16.75 21.00 92.35 49.68 -65.53 -41.26 1.04 0.00 98.96 0.16 0.06 0.68 98.97 0.12 0.00 0.00 0.00 90 F H H 104.50 3.99 16.68 21.13 92.51 49.38 -65.98 -41.21 0.66 0.00 99.33 0.10 0.04 0.43 99.32 0.11 0.00 0.00 0.00 91 I H H 73.44 5.45 15.74 22.44 92.31 49.47 -65.19 -41.81 0.43 0.00 99.57 0.09 0.03 0.25 99.55 0.08 0.00 0.00 0.00 92 T H H 60.70 4.93 15.60 21.75 92.26 50.10 -65.40 -40.80 0.52 0.01 99.46 0.11 0.03 0.32 99.38 0.14 0.00 0.01 0.00 93 I H H 86.85 2.95 15.97 19.30 92.26 50.25 -65.22 -41.62 0.48 0.01 99.51 0.06 0.03 0.34 99.31 0.27 0.00 0.00 0.00 94 F H H 98.17 4.01 14.61 19.68 92.47 50.15 -65.57 -40.88 0.75 0.03 99.22 0.08 0.04 0.56 98.72 0.57 0.00 0.02 0.00 95 I H H 76.17 5.32 12.51 19.57 92.56 50.72 -66.00 -39.62 1.25 0.03 98.72 0.15 0.08 0.94 97.10 1.69 0.00 0.03 0.00 96 L H H 100.80 3.00 12.48 16.59 92.71 52.45 -66.50 -35.93 3.11 0.02 96.86 0.21 0.14 2.58 92.98 4.06 0.00 0.02 0.00 97 F H H 144.08 1.84 11.91 14.30 94.31 50.77 -72.98 -29.76 15.44 0.03 84.52 0.63 0.55 14.00 81.10 3.67 0.01 0.02 0.01 98 Y H H 146.81 3.21 10.52 15.08 98.82 43.90 -90.12 -11.90 41.94 0.16 57.90 8.42 1.08 30.03 58.07 2.22 0.01 0.06 0.11 99 I C C 93.15 7.30 10.46 18.86 103.88 79.67 -84.55 24.31 99.88 0.05 0.06 99.77 0.08 0.07 0.06 0.00 0.00 0.02 0.01