# 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 111.90 5.52 11.71 18.70 113.15 -155.91 -89.32 135.74 99.93 0.03 0.04 99.87 0.05 0.04 0.02 0.00 0.00 0.01 0.00 1 A C C 67.90 4.37 9.61 15.70 111.47 -127.96 -77.32 144.17 72.67 0.73 26.60 67.84 1.16 5.80 20.00 4.48 0.00 0.33 0.40 2 S C H 79.95 2.81 9.68 14.01 101.57 -127.13 -74.47 -17.35 52.57 0.84 46.59 31.46 8.76 12.41 31.76 14.75 0.01 0.39 0.46 3 Q H H 130.84 2.42 10.54 14.19 99.01 60.03 -78.22 -12.43 45.81 0.71 53.48 22.92 9.44 13.52 37.53 15.88 0.02 0.33 0.37 4 T H H 75.40 5.16 10.70 17.45 103.27 67.68 -83.48 13.17 46.36 0.71 52.93 27.41 8.30 11.13 39.85 12.58 0.01 0.31 0.40 5 Q H H 105.23 3.68 12.87 17.74 98.60 81.59 -72.46 -32.29 34.20 0.25 65.56 17.75 8.14 7.74 64.26 1.89 0.00 0.08 0.13 6 G H H 33.90 5.29 13.77 20.30 96.34 50.26 -53.20 -45.97 19.05 0.12 80.82 7.75 4.14 7.07 79.60 1.32 0.01 0.04 0.07 7 I H H 89.25 4.60 14.08 19.84 93.24 48.52 -66.30 -39.61 5.85 0.05 94.09 2.73 0.84 2.16 93.40 0.83 0.00 0.02 0.02 8 Q H H 101.36 2.65 15.92 18.89 92.26 51.47 -64.75 -40.17 2.29 0.02 97.69 1.13 0.26 0.82 97.27 0.49 0.00 0.01 0.00 9 Q H H 92.54 3.78 15.99 20.46 92.42 50.78 -65.33 -40.64 0.93 0.01 99.06 0.36 0.10 0.38 98.92 0.23 0.00 0.00 0.00 10 L H H 72.84 6.81 15.14 23.17 92.15 50.83 -64.89 -41.61 0.54 0.00 99.46 0.15 0.04 0.26 99.41 0.13 0.00 0.00 0.00 11 L H H 84.95 3.32 17.55 21.06 91.95 50.31 -64.47 -41.17 0.47 0.00 99.53 0.11 0.03 0.24 99.53 0.09 0.00 0.00 0.00 12 Q H H 97.09 2.13 18.79 20.05 92.00 49.92 -64.66 -41.25 0.46 0.00 99.54 0.09 0.03 0.24 99.58 0.06 0.00 0.00 0.00 13 A H H 35.29 6.86 15.14 23.82 92.03 50.73 -64.12 -41.38 0.40 0.00 99.60 0.07 0.02 0.21 99.63 0.05 0.00 0.00 0.00 14 E H H 90.28 6.25 16.89 23.98 91.74 50.89 -64.03 -40.82 0.35 0.00 99.65 0.05 0.02 0.20 99.68 0.05 0.00 0.00 0.00 15 K H H 127.48 1.59 19.61 19.67 92.11 49.96 -64.89 -41.24 0.41 0.00 99.59 0.06 0.02 0.24 99.63 0.05 0.00 0.00 0.00 16 R H H 124.32 2.54 18.66 20.73 92.05 49.27 -65.12 -41.11 0.53 0.00 99.47 0.07 0.03 0.31 99.52 0.07 0.00 0.00 0.00 17 A H H 31.41 8.80 14.46 24.94 92.00 51.12 -63.82 -41.13 0.64 0.00 99.36 0.10 0.03 0.36 99.43 0.08 0.00 0.00 0.00 18 A H H 54.46 3.97 17.38 21.93 91.60 51.27 -63.73 -40.54 0.53 0.00 99.47 0.08 0.03 0.29 99.53 0.08 0.00 0.00 0.00 19 E H H 117.41 1.41 19.35 18.88 92.13 49.93 -65.22 -41.26 0.52 0.00 99.48 0.07 0.03 0.28 99.55 0.07 0.00 0.00 0.00 20 K H H 102.99 4.30 17.54 22.27 92.38 49.37 -65.49 -41.30 0.55 0.00 99.45 0.09 0.03 0.29 99.51 0.07 0.00 0.00 0.00 21 V H H 57.89 7.75 15.36 24.25 92.19 49.61 -64.49 -41.95 0.46 0.00 99.54 0.08 0.03 0.24 99.57 0.08 0.00 0.00 0.00 22 A H H 56.36 2.28 18.29 19.97 91.57 50.42 -63.39 -41.46 0.54 0.00 99.46 0.08 0.03 0.31 99.49 0.09 0.00 0.00 0.00 23 D H H 79.38 1.91 18.77 19.53 91.88 49.22 -64.72 -41.03 0.65 0.00 99.35 0.08 0.04 0.39 99.38 0.10 0.00 0.00 0.00 24 A H H 34.77 6.91 14.50 23.25 91.97 51.34 -64.05 -41.13 0.74 0.00 99.26 0.11 0.04 0.44 99.29 0.13 0.00 0.00 0.00 25 R H H 126.77 3.96 16.72 21.36 91.91 51.06 -64.45 -40.65 0.91 0.00 99.09 0.15 0.06 0.53 99.12 0.13 0.00 0.00 0.00 26 K H H 127.97 1.30 18.42 17.93 91.91 49.92 -64.84 -41.08 1.02 0.00 98.98 0.19 0.08 0.58 99.03 0.13 0.00 0.00 0.00 27 R H H 124.69 2.44 17.16 19.40 92.24 49.13 -65.04 -41.02 1.14 0.00 98.86 0.24 0.08 0.62 98.90 0.15 0.00 0.00 0.00 28 K H H 90.94 6.01 15.27 22.38 92.01 50.25 -64.52 -40.57 0.92 0.00 99.08 0.19 0.06 0.50 99.09 0.16 0.00 0.00 0.00 29 A H H 53.62 3.05 16.17 19.78 91.66 51.03 -63.97 -40.60 1.06 0.00 98.94 0.20 0.07 0.59 98.97 0.17 0.00 0.00 0.00 30 R H H 139.00 1.37 17.76 17.59 91.99 49.90 -65.10 -40.95 1.09 0.00 98.91 0.19 0.08 0.62 98.95 0.16 0.00 0.00 0.00 31 R H H 121.41 3.23 16.43 20.10 92.25 49.41 -65.00 -41.00 0.96 0.00 99.04 0.20 0.07 0.52 99.08 0.13 0.00 0.00 0.00 32 L H H 76.12 5.65 14.90 21.74 92.18 50.36 -64.52 -40.97 0.75 0.00 99.25 0.20 0.06 0.35 99.28 0.12 0.00 0.00 0.00 33 K H H 122.50 1.80 17.75 18.77 91.71 50.10 -64.29 -41.04 0.65 0.00 99.34 0.13 0.04 0.33 99.39 0.10 0.00 0.00 0.00 34 Q H H 100.81 1.74 18.07 18.65 91.93 49.53 -65.02 -41.10 0.72 0.00 99.28 0.13 0.05 0.38 99.34 0.10 0.00 0.00 0.00 35 A H H 40.84 5.40 14.88 21.93 92.06 50.96 -64.21 -41.13 0.62 0.00 99.37 0.13 0.04 0.30 99.44 0.08 0.00 0.00 0.00 36 K H H 106.42 4.93 16.56 22.22 92.08 50.70 -64.27 -40.99 0.55 0.00 99.45 0.11 0.03 0.26 99.53 0.07 0.00 0.00 0.00 37 E H H 110.95 1.64 18.57 18.80 91.86 49.63 -64.72 -41.53 0.47 0.00 99.53 0.07 0.03 0.25 99.60 0.06 0.00 0.00 0.00 38 E H H 104.10 2.08 18.34 19.59 91.93 49.34 -64.72 -41.20 0.48 0.00 99.52 0.08 0.03 0.25 99.58 0.06 0.00 0.00 0.00 39 A H H 36.08 7.01 14.53 23.28 92.01 50.48 -64.41 -40.79 0.60 0.00 99.39 0.09 0.03 0.33 99.46 0.08 0.00 0.00 0.00 40 Q H H 96.04 3.89 17.13 21.60 91.65 50.94 -64.22 -40.55 0.66 0.00 99.34 0.10 0.04 0.37 99.41 0.08 0.00 0.00 0.00 41 M H H 102.33 1.65 18.09 18.40 91.74 50.28 -64.54 -41.22 0.53 0.00 99.46 0.09 0.03 0.28 99.53 0.06 0.00 0.00 0.00 42 E H H 97.60 2.94 17.39 20.37 91.98 49.52 -64.79 -41.16 0.57 0.00 99.43 0.10 0.03 0.30 99.49 0.07 0.00 0.00 0.00 43 V H H 57.01 6.66 14.80 22.79 92.14 49.55 -64.55 -41.67 0.45 0.00 99.55 0.08 0.03 0.24 99.59 0.06 0.00 0.00 0.00 44 E H H 99.24 2.61 17.13 19.75 91.62 50.77 -64.04 -41.27 0.33 0.00 99.67 0.05 0.02 0.18 99.69 0.06 0.00 0.00 0.00 45 Q H H 100.47 1.63 17.61 18.01 91.89 50.02 -64.37 -41.22 0.55 0.00 99.45 0.06 0.03 0.36 99.48 0.08 0.00 0.00 0.00 46 Y H H 104.32 4.08 15.71 20.67 92.22 49.76 -64.48 -41.57 0.59 0.00 99.41 0.09 0.04 0.36 99.42 0.09 0.00 0.00 0.00 47 R H H 111.75 5.18 15.24 21.37 91.96 51.18 -63.81 -40.97 0.49 0.00 99.51 0.10 0.03 0.27 99.52 0.08 0.00 0.00 0.00 48 R H H 135.14 1.73 16.96 17.97 92.07 50.15 -64.82 -40.53 0.60 0.00 99.40 0.10 0.04 0.35 99.43 0.08 0.00 0.00 0.00 49 E H H 105.74 1.81 17.12 18.12 91.96 49.95 -64.96 -41.00 0.58 0.00 99.42 0.10 0.04 0.32 99.47 0.07 0.00 0.00 0.00 50 R H H 108.08 4.50 15.28 20.78 92.09 49.79 -65.32 -40.65 0.58 0.00 99.42 0.10 0.04 0.31 99.48 0.08 0.00 0.00 0.00 51 E H H 91.99 3.90 15.32 20.29 91.71 51.27 -64.27 -40.88 0.52 0.00 99.48 0.09 0.03 0.27 99.53 0.08 0.00 0.00 0.00 52 Q H H 106.99 1.53 17.07 17.47 92.13 50.26 -64.59 -40.93 0.54 0.00 99.46 0.08 0.03 0.31 99.49 0.09 0.00 0.00 0.00 53 E H H 104.44 2.19 16.65 18.48 92.15 49.87 -64.95 -41.03 0.81 0.00 99.19 0.11 0.05 0.49 99.22 0.13 0.00 0.00 0.00 54 F H H 89.62 4.90 14.26 20.56 92.60 49.35 -65.17 -40.67 1.06 0.00 98.93 0.19 0.08 0.61 98.95 0.17 0.00 0.00 0.00 55 Q H H 99.83 2.95 15.73 19.31 92.00 51.29 -63.94 -40.81 1.01 0.00 98.99 0.19 0.07 0.55 99.02 0.16 0.00 0.00 0.00 56 S H H 63.05 1.84 16.27 17.55 92.34 50.65 -64.57 -40.47 1.67 0.00 98.33 0.30 0.12 0.95 98.33 0.28 0.00 0.00 0.00 57 K H H 117.23 2.49 15.89 18.45 92.66 49.88 -66.20 -39.79 2.28 0.01 97.71 0.48 0.19 1.28 97.56 0.48 0.00 0.00 0.00 58 Q H H 87.24 4.78 13.65 19.80 92.91 51.32 -65.61 -40.33 2.96 0.02 97.02 0.74 0.33 1.63 96.54 0.74 0.00 0.01 0.01 59 Q H H 105.85 2.43 14.38 17.34 92.85 51.29 -65.26 -40.03 5.08 0.03 94.89 1.35 0.58 2.85 93.86 1.33 0.01 0.01 0.01 60 A H H 72.38 1.87 13.98 15.91 93.69 51.51 -67.59 -36.26 8.80 0.04 91.16 1.76 0.92 5.73 89.31 2.22 0.02 0.02 0.02 61 A H H 67.90 3.54 12.24 16.85 95.28 51.50 -72.45 -32.89 16.11 0.08 83.82 2.39 1.79 11.51 81.86 2.35 0.03 0.03 0.04 62 M H H 122.33 3.02 11.50 15.79 99.17 52.54 -81.69 -11.44 44.37 0.32 55.30 6.08 6.70 31.39 52.99 2.46 0.05 0.11 0.22 63 G C T 53.54 2.24 12.06 15.30 105.10 -100.52 67.78 -4.32 85.19 0.48 14.33 23.65 14.16 47.47 11.29 2.92 0.00 0.19 0.32 64 S C C 76.94 3.61 9.78 15.10 107.53 82.52 -90.03 90.17 87.45 0.91 11.64 50.33 18.77 18.41 7.12 4.33 0.00 0.36 0.68 65 Q C C 133.11 2.15 10.53 14.04 107.34 135.66 -93.84 77.81 81.28 0.92 17.80 42.23 22.15 16.87 12.94 4.77 0.00 0.32 0.71 66 G C H 48.04 2.78 12.42 16.21 112.99 -16.95 71.95 -143.70 64.83 0.49 34.68 19.76 23.81 22.22 27.22 6.42 0.02 0.17 0.38 67 N H H 115.91 2.20 13.33 16.06 100.19 -18.28 -78.92 -9.77 43.41 0.53 56.07 19.79 11.04 14.05 48.68 5.90 0.02 0.21 0.30 68 L H H 85.62 5.23 12.19 18.94 96.39 78.13 -72.89 -28.87 23.95 0.43 75.63 13.64 4.46 7.20 70.20 4.10 0.01 0.20 0.18 69 S H H 49.28 5.52 13.26 20.48 94.52 61.89 -65.68 -39.78 11.22 0.15 88.64 7.18 1.78 2.94 85.93 2.05 0.00 0.07 0.05 70 A H H 58.78 2.73 15.82 18.84 93.00 52.59 -65.71 -39.81 4.65 0.05 95.30 2.52 0.75 1.46 94.27 0.95 0.00 0.02 0.01 71 E H H 110.85 2.16 16.65 18.52 92.73 50.94 -66.01 -40.50 2.33 0.02 97.64 1.06 0.33 0.88 97.16 0.55 0.00 0.01 0.00 72 V H H 64.30 5.51 14.46 21.50 92.43 49.94 -65.63 -41.49 1.52 0.01 98.47 0.63 0.19 0.60 98.24 0.33 0.00 0.00 0.00 73 E H H 96.69 4.37 15.97 21.38 92.14 51.02 -64.36 -40.89 1.13 0.00 98.87 0.39 0.11 0.48 98.82 0.19 0.00 0.00 0.00 74 Q H H 104.66 1.82 17.99 18.87 91.86 50.22 -64.87 -41.20 0.66 0.00 99.34 0.15 0.06 0.32 99.36 0.10 0.00 0.00 0.00 75 A H H 51.59 2.94 17.01 20.30 91.90 50.37 -64.21 -40.84 0.66 0.00 99.33 0.13 0.05 0.34 99.39 0.09 0.00 0.00 0.00 76 T H H 46.44 7.44 14.48 23.59 92.23 50.45 -64.77 -41.00 0.76 0.00 99.24 0.17 0.06 0.37 99.32 0.08 0.00 0.00 0.00 77 R H H 132.99 3.24 16.86 20.76 91.74 51.34 -63.81 -40.92 0.43 0.00 99.57 0.09 0.03 0.20 99.63 0.05 0.00 0.00 0.00 78 R H H 146.61 1.35 18.30 18.10 91.90 50.03 -65.04 -41.29 0.31 0.00 99.69 0.06 0.02 0.15 99.74 0.04 0.00 0.00 0.00 79 Q H H 98.07 3.45 17.26 21.09 92.23 49.66 -64.99 -40.98 0.32 0.00 99.67 0.06 0.02 0.16 99.72 0.04 0.00 0.00 0.00 80 V H H 57.40 7.69 14.81 23.79 92.03 49.69 -64.71 -41.35 0.29 0.00 99.71 0.05 0.02 0.15 99.74 0.04 0.00 0.00 0.00 81 Q H H 105.49 2.28 18.03 19.94 91.80 50.63 -63.85 -40.88 0.30 0.00 99.70 0.04 0.02 0.16 99.74 0.04 0.00 0.00 0.00 82 G H H 38.18 2.32 17.89 19.78 92.11 50.25 -64.34 -41.38 0.67 0.00 99.33 0.07 0.04 0.42 99.40 0.07 0.00 0.00 0.00 83 M H H 77.53 6.82 15.78 23.61 92.20 49.59 -64.98 -41.10 0.67 0.00 99.33 0.10 0.04 0.39 99.39 0.09 0.00 0.00 0.00 84 Q H H 91.11 5.27 16.67 22.73 91.81 50.97 -63.77 -41.23 0.74 0.00 99.26 0.12 0.05 0.41 99.32 0.10 0.00 0.00 0.00 85 S H H 58.26 1.89 18.39 19.21 91.73 50.20 -63.72 -41.32 1.20 0.00 98.80 0.17 0.09 0.72 98.85 0.17 0.00 0.00 0.00 86 S H H 48.66 4.11 16.65 21.70 92.06 50.34 -64.51 -40.58 1.44 0.00 98.55 0.20 0.11 0.89 98.52 0.27 0.00 0.00 0.00 87 Q H H 62.51 10.25 13.41 24.67 92.10 51.74 -64.47 -40.26 1.53 0.00 98.47 0.22 0.12 0.96 98.28 0.42 0.00 0.00 0.00 88 Q H H 115.76 2.47 16.49 19.24 92.08 51.37 -65.14 -37.99 2.77 0.00 97.22 0.28 0.19 2.03 96.74 0.75 0.00 0.00 0.00 89 R H H 163.67 1.11 17.15 16.79 92.31 51.05 -69.08 -33.11 10.35 0.01 89.64 0.31 0.50 9.37 88.95 0.85 0.01 0.00 0.00 90 N H H 62.36 8.13 12.69 22.38 100.00 41.72 -100.92 -0.37 47.46 0.04 52.50 4.00 1.99 38.93 53.81 1.23 0.00 0.01 0.03 91 R H H 104.96 10.21 12.76 23.89 92.21 96.35 -59.86 -42.08 2.07 0.00 97.93 0.52 0.17 1.04 97.59 0.68 0.00 0.00 0.00 92 E H H 130.67 1.57 17.68 18.50 92.16 51.51 -64.75 -39.94 0.93 0.00 99.07 0.14 0.06 0.57 98.63 0.60 0.00 0.00 0.00 93 R H H 134.67 2.29 18.36 20.19 92.21 49.21 -65.48 -41.01 0.52 0.00 99.48 0.09 0.03 0.29 98.95 0.63 0.00 0.00 0.00 94 V H H 39.14 10.65 14.84 26.80 91.99 49.48 -64.48 -42.54 0.22 0.00 99.78 0.04 0.02 0.11 99.73 0.11 0.00 0.00 0.00 95 L H H 65.90 8.47 16.67 26.02 91.72 50.35 -63.53 -41.47 0.18 0.00 99.82 0.02 0.01 0.10 99.81 0.07 0.00 0.00 0.00 96 A H H 62.02 2.44 18.83 20.80 91.75 50.60 -64.14 -40.96 0.21 0.00 99.79 0.02 0.01 0.14 99.76 0.07 0.00 0.00 0.00 97 Q H H 95.11 4.18 18.04 22.69 92.21 49.30 -65.93 -40.97 0.39 0.00 99.61 0.03 0.02 0.28 99.51 0.16 0.00 0.00 0.00 98 L H H 55.11 11.00 15.29 26.92 92.32 50.37 -64.49 -41.90 0.67 0.00 99.33 0.06 0.04 0.48 99.05 0.38 0.00 0.00 0.00 99 L H H 79.97 6.66 16.23 23.82 91.79 50.52 -64.54 -39.58 1.82 0.00 98.18 0.15 0.11 1.43 97.25 1.06 0.00 0.00 0.00 100 G H H 41.07 2.63 16.65 19.43 92.01 53.11 -65.16 -37.91 9.74 0.01 90.24 0.51 0.44 8.78 87.56 2.68 0.01 0.00 0.01 101 M H H 89.81 6.42 15.22 22.53 93.16 50.96 -68.49 -37.17 19.06 0.05 80.88 1.24 1.33 16.22 77.29 3.82 0.04 0.02 0.03 102 V H H 63.54 9.83 12.97 23.37 95.81 48.20 -74.20 -33.59 26.83 0.61 72.57 5.23 4.94 17.90 67.30 3.87 0.16 0.26 0.33 103 C C H 77.37 5.24 12.91 19.28 98.13 53.69 -86.11 -15.37 50.92 5.57 43.51 22.74 11.55 18.71 36.53 5.03 0.30 2.71 2.43 104 E C C 130.49 2.60 13.63 17.04 102.69 70.31 -85.44 43.76 72.19 4.79 23.03 35.60 16.93 19.77 18.57 4.77 0.06 2.75 1.56 105 V C C 84.16 7.55 9.34 18.12 109.81 91.70 -84.48 115.25 83.68 6.23 10.09 56.59 19.23 7.68 8.14 2.53 0.02 3.65 2.16 106 R C C 169.77 2.19 13.71 16.80 111.13 -168.16 -106.06 104.97 93.68 5.59 0.73 77.56 15.48 0.90 0.47 0.28 0.00 4.11 1.19 107 P C C 75.73 8.84 9.12 19.25 114.39 -144.85 -71.34 145.51 93.69 4.95 1.36 88.97 3.35 1.68 0.49 0.69 0.00 3.96 0.87 108 Q C C 133.06 2.22 13.70 17.01 116.44 -142.00 -98.81 133.74 87.75 10.89 1.35 78.45 7.45 1.84 0.60 0.76 0.00 5.97 4.94 109 V C C 87.90 7.83 8.86 18.19 115.98 -137.88 -92.54 134.14 90.82 8.60 0.58 83.76 6.69 0.60 0.30 0.27 0.00 4.53 3.84 110 H C C 92.44 5.85 9.32 17.18 112.96 -115.24 -76.46 136.55 98.95 0.63 0.41 96.62 2.26 0.31 0.12 0.20 0.00 0.29 0.21 111 P C T 112.15 1.68 10.88 13.64 92.68 -128.74 -62.23 -27.47 61.42 0.26 38.32 6.95 5.30 46.80 2.95 37.72 0.00 0.14 0.14 112 N C T 116.35 2.04 10.66 13.73 95.57 61.17 -81.25 -6.20 61.48 0.36 38.17 6.12 5.42 47.76 3.31 36.99 0.00 0.20 0.19 113 Y C C 114.49 7.68 7.98 16.77 104.28 76.43 -91.37 28.59 58.09 3.21 38.70 36.10 11.27 10.53 4.26 34.94 0.00 1.75 1.15 114 R C C 152.78 3.32 9.68 14.95 112.58 127.79 -90.95 125.53 83.28 5.86 10.86 63.64 12.03 7.50 4.89 5.84 0.00 3.31 2.78 115 V C C 101.58 3.92 7.95 13.75 111.94 -159.92 -94.41 118.21 87.41 4.32 8.27 59.83 15.49 12.44 3.29 4.71 0.00 2.90 1.34 116 T C C 109.18 1.71 8.55 11.76 111.22 -152.72 -95.53 114.02 93.77 1.98 4.25 83.50 1.94 9.35 1.69 1.56 0.00 1.34 0.62 117 V C C 107.09 3.80 9.04 14.63 110.77 -157.87 -93.81 116.66 99.96 0.03 0.01 99.91 0.05 0.02 0.00 0.00 0.00 0.02 0.00