# 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 110.45 5.66 11.81 18.90 115.50 -160.36 -93.23 135.71 99.90 0.06 0.05 99.83 0.08 0.05 0.02 0.00 0.00 0.02 0.01 1 A C C 72.08 4.10 9.62 15.41 108.83 -124.25 -77.03 126.55 75.29 1.02 23.69 67.95 1.55 7.51 16.29 5.63 0.00 0.53 0.55 2 S C C 80.67 2.75 9.71 13.93 103.40 -106.51 -80.14 -4.27 63.01 1.18 35.81 37.90 11.28 13.91 21.85 13.83 0.01 0.55 0.66 3 Q C C 128.05 2.84 10.44 14.61 100.62 58.71 -81.47 -3.96 57.08 0.94 41.97 28.93 13.07 15.52 26.65 14.84 0.02 0.41 0.56 4 S C C 62.13 5.33 10.69 17.69 104.94 81.77 -84.68 29.54 59.33 0.84 39.83 35.83 11.04 12.49 28.36 11.40 0.01 0.35 0.53 5 Q H H 109.21 3.72 13.10 17.92 100.17 114.83 -75.37 -22.94 45.03 0.35 54.62 20.39 12.70 11.57 52.78 2.25 0.01 0.11 0.20 6 G H H 32.94 5.96 13.98 21.16 97.78 46.49 -41.63 -45.91 29.52 0.19 70.30 10.60 7.80 11.23 68.52 1.67 0.02 0.06 0.11 7 I H H 84.56 5.84 13.86 21.00 93.52 49.40 -66.38 -38.55 7.56 0.06 92.38 3.31 1.27 3.00 91.33 1.03 0.00 0.02 0.03 8 Q H H 103.10 2.69 16.37 19.25 92.11 51.85 -64.67 -40.24 2.46 0.02 97.52 1.10 0.32 0.98 96.99 0.60 0.00 0.01 0.00 9 Q H H 91.51 3.82 16.46 20.92 92.26 50.55 -65.49 -40.61 1.07 0.01 98.92 0.40 0.12 0.47 98.69 0.33 0.00 0.00 0.00 10 L H H 66.66 8.14 15.18 24.49 92.34 50.86 -64.78 -41.59 0.54 0.00 99.45 0.14 0.05 0.27 99.38 0.15 0.00 0.00 0.00 11 L H H 82.16 3.83 17.99 22.15 91.87 50.44 -64.42 -41.11 0.41 0.00 99.59 0.09 0.03 0.22 99.58 0.08 0.00 0.00 0.00 12 Q H H 95.62 2.20 19.40 20.65 91.87 50.00 -64.47 -41.29 0.37 0.00 99.63 0.07 0.02 0.20 99.66 0.05 0.00 0.00 0.00 13 A H H 32.45 7.66 15.35 24.84 91.97 50.86 -64.11 -41.71 0.35 0.00 99.65 0.05 0.02 0.19 99.68 0.05 0.00 0.00 0.00 14 E H H 87.19 7.22 17.20 25.21 91.76 50.91 -63.70 -40.96 0.32 0.00 99.68 0.05 0.02 0.18 99.71 0.04 0.00 0.00 0.00 15 K H H 126.51 1.64 20.11 20.15 92.09 49.98 -64.78 -41.24 0.41 0.00 99.59 0.05 0.02 0.23 99.64 0.05 0.00 0.00 0.00 16 R H H 122.98 2.68 19.12 21.34 92.05 49.26 -65.26 -41.11 0.53 0.00 99.47 0.07 0.03 0.31 99.53 0.06 0.00 0.00 0.00 17 A H H 28.77 9.82 14.46 25.90 91.98 51.14 -63.77 -41.30 0.52 0.00 99.48 0.08 0.03 0.28 99.54 0.07 0.00 0.00 0.00 18 A H H 54.29 4.30 17.70 22.61 91.50 51.25 -63.76 -40.90 0.42 0.00 99.58 0.06 0.02 0.23 99.63 0.06 0.00 0.00 0.00 19 E H H 118.34 1.39 19.81 19.17 92.14 49.77 -65.17 -41.27 0.44 0.00 99.56 0.05 0.02 0.25 99.61 0.06 0.00 0.00 0.00 20 K H H 99.95 4.70 17.71 22.88 92.32 49.04 -65.65 -41.22 0.58 0.00 99.42 0.08 0.03 0.33 99.48 0.08 0.00 0.00 0.00 21 V H H 54.42 8.63 15.22 24.92 92.23 49.51 -64.53 -41.74 0.53 0.00 99.47 0.09 0.04 0.29 99.49 0.09 0.00 0.00 0.00 22 A H H 56.31 2.40 18.45 20.34 91.45 50.58 -63.43 -41.41 0.57 0.00 99.43 0.08 0.03 0.33 99.45 0.10 0.00 0.00 0.00 23 D H H 79.69 1.87 18.97 19.61 91.91 49.46 -64.72 -41.11 0.80 0.00 99.20 0.10 0.05 0.50 99.21 0.15 0.00 0.00 0.00 24 A H H 34.03 7.29 14.54 23.60 92.03 51.18 -64.17 -41.15 0.89 0.00 99.11 0.12 0.06 0.53 99.10 0.18 0.00 0.00 0.00 25 R H H 125.60 4.37 16.73 21.79 91.96 51.23 -64.43 -40.67 1.13 0.00 98.86 0.19 0.08 0.67 98.85 0.20 0.00 0.00 0.00 26 K H H 128.53 1.31 18.44 18.00 91.98 49.91 -65.02 -40.95 1.54 0.00 98.46 0.26 0.11 0.92 98.49 0.21 0.00 0.00 0.00 27 R H H 125.49 2.41 17.26 19.41 92.27 49.43 -65.14 -40.86 1.41 0.00 98.58 0.28 0.12 0.79 98.61 0.20 0.00 0.00 0.00 28 K H H 88.73 6.29 15.25 22.58 92.14 50.49 -64.77 -40.49 1.07 0.00 98.93 0.23 0.08 0.57 98.93 0.19 0.00 0.00 0.00 29 A H H 52.81 3.23 16.22 20.12 91.61 51.11 -63.83 -40.69 1.23 0.00 98.77 0.24 0.09 0.68 98.80 0.20 0.00 0.00 0.00 30 R H H 139.28 1.37 17.94 17.74 91.91 49.96 -65.02 -40.94 1.07 0.00 98.93 0.20 0.08 0.58 98.97 0.16 0.00 0.00 0.00 31 R H H 120.83 3.24 16.61 20.23 92.18 49.44 -65.18 -41.05 0.96 0.00 99.03 0.22 0.08 0.49 99.08 0.13 0.00 0.00 0.00 32 L H H 75.12 5.86 15.03 21.98 92.19 50.27 -64.53 -41.12 0.77 0.00 99.23 0.19 0.06 0.38 99.25 0.13 0.00 0.00 0.00 33 K H H 121.65 1.86 17.76 18.90 91.84 50.11 -64.48 -41.31 0.68 0.00 99.32 0.13 0.05 0.36 99.36 0.10 0.00 0.00 0.00 34 Q H H 100.01 1.76 18.14 18.72 91.87 49.63 -65.00 -41.20 0.76 0.00 99.24 0.13 0.05 0.43 99.29 0.10 0.00 0.00 0.00 35 A H H 41.07 5.55 14.96 22.05 92.09 50.98 -64.08 -41.27 0.56 0.00 99.44 0.12 0.04 0.27 99.50 0.08 0.00 0.00 0.00 36 K H H 106.03 5.08 16.69 22.39 92.14 50.71 -64.26 -41.39 0.44 0.00 99.56 0.08 0.03 0.22 99.61 0.06 0.00 0.00 0.00 37 E H H 109.89 1.66 18.73 18.95 91.87 49.69 -64.76 -41.53 0.37 0.00 99.63 0.05 0.02 0.20 99.67 0.06 0.00 0.00 0.00 38 E H H 102.87 2.16 18.36 19.78 91.94 49.42 -64.70 -41.14 0.43 0.00 99.57 0.06 0.02 0.24 99.62 0.06 0.00 0.00 0.00 39 A H H 36.39 7.16 14.56 23.37 91.99 50.47 -64.41 -40.79 0.61 0.00 99.39 0.09 0.03 0.34 99.47 0.07 0.00 0.00 0.00 40 Q H H 96.68 3.89 17.28 21.64 91.64 51.12 -64.26 -40.50 0.65 0.00 99.35 0.09 0.04 0.36 99.44 0.07 0.00 0.00 0.00 41 M H H 102.91 1.62 18.21 18.42 91.83 50.22 -64.36 -41.40 0.49 0.00 99.51 0.08 0.03 0.25 99.58 0.06 0.00 0.00 0.00 42 E H H 96.13 3.11 17.38 20.58 92.03 49.65 -64.79 -41.11 0.54 0.00 99.46 0.09 0.03 0.29 99.52 0.07 0.00 0.00 0.00 43 V H H 55.85 6.74 14.87 22.89 92.10 49.14 -64.40 -41.91 0.38 0.00 99.62 0.06 0.02 0.21 99.65 0.06 0.00 0.00 0.00 44 D H H 77.14 2.57 17.25 19.78 91.73 50.78 -63.90 -41.50 0.30 0.00 99.70 0.04 0.02 0.17 99.72 0.05 0.00 0.00 0.00 45 Q H H 100.58 1.64 17.57 18.01 91.84 50.09 -64.37 -41.20 0.52 0.00 99.48 0.05 0.02 0.35 99.50 0.08 0.00 0.00 0.00 46 Y H H 103.30 4.22 15.54 20.66 92.19 49.83 -64.63 -41.62 0.51 0.00 99.49 0.07 0.03 0.32 99.49 0.09 0.00 0.00 0.00 47 R H H 113.68 4.79 15.39 21.04 92.00 51.20 -64.22 -40.96 0.44 0.00 99.56 0.08 0.03 0.25 99.57 0.08 0.00 0.00 0.00 48 R H H 135.05 1.66 16.96 17.80 91.95 50.20 -64.98 -40.62 0.60 0.00 99.40 0.09 0.04 0.35 99.43 0.09 0.00 0.00 0.00 49 E H H 104.25 1.91 16.83 18.10 92.02 49.98 -65.09 -40.93 0.61 0.00 99.39 0.09 0.04 0.34 99.44 0.08 0.00 0.00 0.00 50 R H H 110.22 4.40 15.13 20.48 92.17 50.21 -65.11 -40.66 0.63 0.00 99.37 0.11 0.04 0.34 99.43 0.08 0.00 0.00 0.00 51 E H H 95.20 3.54 15.30 19.76 91.91 51.17 -64.49 -40.70 0.56 0.00 99.44 0.10 0.04 0.29 99.49 0.09 0.00 0.00 0.00 52 Q H H 108.09 1.48 16.88 17.21 92.14 50.10 -64.88 -40.75 0.53 0.00 99.47 0.08 0.03 0.30 99.48 0.10 0.00 0.00 0.00 53 E H H 103.71 2.23 16.31 18.24 92.27 49.88 -64.93 -40.90 0.83 0.00 99.17 0.11 0.05 0.51 99.18 0.14 0.00 0.00 0.00 54 F H H 90.73 4.88 14.10 20.33 92.60 49.33 -65.39 -40.64 0.97 0.00 99.03 0.17 0.07 0.55 99.05 0.16 0.00 0.00 0.00 55 Q H H 99.62 3.10 15.31 19.18 92.27 51.74 -64.08 -40.96 0.76 0.00 99.24 0.14 0.06 0.39 99.30 0.11 0.00 0.00 0.00 56 S H H 64.24 1.66 16.33 17.14 92.44 50.52 -64.74 -40.57 1.25 0.00 98.75 0.23 0.09 0.68 98.80 0.20 0.00 0.00 0.00 57 K H H 115.58 2.41 15.72 18.08 92.74 49.53 -66.17 -40.08 1.64 0.00 98.36 0.33 0.14 0.90 98.32 0.31 0.00 0.00 0.00 58 Q H H 79.95 5.65 12.52 19.74 93.01 51.50 -65.44 -40.13 2.45 0.01 97.54 0.59 0.26 1.33 97.32 0.49 0.00 0.00 0.00 59 Q H H 112.38 2.25 13.90 16.69 92.75 51.53 -66.13 -38.89 4.75 0.02 95.23 1.18 0.49 2.73 94.60 0.97 0.01 0.01 0.01 60 A H H 80.74 1.28 13.85 14.59 94.04 50.87 -68.36 -35.87 8.42 0.03 91.55 1.29 0.84 5.90 90.43 1.50 0.02 0.01 0.01 61 A H H 69.60 3.27 11.59 15.86 96.83 48.55 -76.01 -33.23 16.40 0.07 83.53 1.92 1.87 12.27 82.19 1.66 0.03 0.03 0.04 62 M H H 124.28 2.90 11.06 15.14 99.95 37.36 -84.00 -11.25 41.83 0.32 57.85 6.02 7.26 28.44 56.05 1.86 0.06 0.10 0.22 63 G C T 51.88 2.27 12.02 15.28 107.53 -108.81 68.37 -35.05 90.31 0.57 9.12 29.53 20.88 40.24 5.98 2.77 0.00 0.23 0.37 64 S C C 76.19 3.47 10.23 15.23 108.35 7.22 -90.21 95.88 87.84 1.01 11.15 50.46 20.75 16.70 6.73 4.19 0.00 0.39 0.76 65 Q C C 130.57 2.53 10.65 14.59 103.08 120.30 -87.06 6.32 65.18 0.74 34.08 28.54 19.82 18.01 26.62 6.17 0.02 0.26 0.55 66 G C H 47.94 2.78 12.99 16.45 105.59 42.27 -0.94 -84.00 53.09 0.34 46.57 13.34 16.20 24.55 39.11 6.38 0.03 0.12 0.26 67 N H H 105.11 2.67 13.38 16.64 100.11 22.57 -79.09 -10.71 35.52 0.41 64.06 17.45 7.58 11.82 57.72 5.02 0.02 0.17 0.22 68 L H H 81.46 5.33 12.24 19.20 95.24 74.71 -68.49 -36.74 14.26 0.22 85.52 7.89 2.73 4.62 81.95 2.62 0.01 0.10 0.09 69 S H H 55.09 4.00 14.38 19.59 93.44 54.65 -65.83 -39.75 6.88 0.09 93.03 3.95 1.13 2.16 91.34 1.34 0.00 0.04 0.03 70 A H H 57.66 2.57 15.65 18.49 92.69 51.52 -65.79 -39.95 3.70 0.04 96.27 1.81 0.58 1.32 95.52 0.75 0.00 0.02 0.01 71 E H H 107.51 2.42 16.04 18.48 92.72 50.90 -65.82 -40.74 1.88 0.01 98.11 0.77 0.26 0.75 97.81 0.40 0.00 0.01 0.00 72 V H H 71.08 4.34 14.62 20.18 92.39 49.75 -65.27 -41.57 1.23 0.01 98.76 0.46 0.14 0.51 98.65 0.24 0.00 0.00 0.00 73 E H H 103.15 3.12 15.96 19.69 92.14 50.50 -64.44 -40.99 0.96 0.00 99.04 0.29 0.08 0.43 99.02 0.17 0.00 0.00 0.00 74 Q H H 102.39 1.85 17.19 18.31 91.85 50.17 -65.01 -41.15 0.68 0.00 99.32 0.14 0.06 0.34 99.36 0.10 0.00 0.00 0.00 75 A H H 52.15 2.90 16.26 19.62 91.83 50.24 -64.25 -40.60 0.73 0.00 99.27 0.14 0.05 0.37 99.34 0.09 0.00 0.00 0.00 76 T H H 54.29 5.62 14.50 21.62 92.30 50.37 -64.95 -40.77 0.92 0.00 99.08 0.24 0.07 0.41 99.19 0.08 0.00 0.00 0.00 77 R H H 136.79 2.54 16.46 19.36 91.87 50.99 -64.38 -40.74 0.59 0.00 99.41 0.13 0.04 0.28 99.50 0.06 0.00 0.00 0.00 78 R H H 145.27 1.40 17.49 17.60 92.08 50.26 -65.07 -41.14 0.45 0.00 99.55 0.09 0.03 0.21 99.62 0.04 0.00 0.00 0.00 79 Q H H 100.45 3.07 16.64 19.93 92.34 49.57 -65.15 -40.95 0.45 0.00 99.55 0.09 0.03 0.21 99.62 0.05 0.00 0.00 0.00 80 V H H 66.06 5.74 14.88 21.87 92.11 49.57 -64.96 -41.09 0.38 0.00 99.62 0.07 0.02 0.19 99.66 0.05 0.00 0.00 0.00 81 Q H H 106.22 2.02 17.42 18.97 91.82 50.72 -63.87 -40.97 0.36 0.00 99.64 0.05 0.02 0.19 99.69 0.05 0.00 0.00 0.00 82 G H H 38.05 2.34 17.22 19.32 92.20 50.35 -64.46 -41.44 0.74 0.00 99.26 0.09 0.04 0.46 99.34 0.08 0.00 0.00 0.00 83 M H H 83.88 5.55 15.54 22.10 92.29 49.45 -65.11 -40.89 0.73 0.00 99.27 0.11 0.05 0.43 99.31 0.10 0.00 0.00 0.00 84 Q H H 95.52 4.20 16.44 21.36 91.95 50.45 -64.16 -41.02 0.70 0.00 99.30 0.11 0.05 0.39 99.34 0.11 0.00 0.00 0.00 85 S H H 57.99 1.91 17.85 18.88 91.91 50.57 -63.86 -41.50 1.09 0.00 98.91 0.15 0.08 0.67 98.93 0.17 0.00 0.00 0.00 86 S H H 49.89 3.79 16.40 21.07 92.09 50.32 -64.57 -40.76 1.35 0.00 98.65 0.17 0.10 0.88 98.58 0.28 0.00 0.00 0.00 87 Q H H 67.37 8.88 13.52 23.62 92.17 51.40 -64.45 -40.29 1.32 0.00 98.68 0.15 0.09 0.87 98.44 0.43 0.00 0.00 0.00 88 Q H H 113.83 2.38 16.33 18.91 91.99 51.24 -65.14 -38.31 2.33 0.00 97.67 0.19 0.13 1.77 97.09 0.82 0.00 0.00 0.00 89 R H H 161.36 1.15 17.08 16.84 92.12 51.11 -67.50 -34.28 9.85 0.00 90.15 0.20 0.35 9.40 89.07 0.96 0.00 0.00 0.00 90 N H H 65.28 7.57 12.75 21.94 98.91 43.02 -97.64 -0.65 45.19 0.03 54.78 2.43 1.76 39.00 55.38 1.38 0.00 0.01 0.02 91 R H H 105.24 9.57 12.72 23.41 92.16 87.40 -60.30 -41.66 1.37 0.00 98.63 0.31 0.10 0.67 98.46 0.45 0.00 0.00 0.00 92 E H H 126.59 1.81 17.26 18.67 92.00 51.58 -64.55 -40.16 0.50 0.00 99.50 0.06 0.02 0.30 99.23 0.38 0.00 0.00 0.00 93 R H H 139.25 1.98 18.21 19.53 92.19 49.46 -65.57 -40.87 0.27 0.00 99.73 0.04 0.01 0.15 99.38 0.41 0.00 0.00 0.00 94 V H H 47.05 8.78 15.21 25.41 92.05 49.50 -64.56 -42.45 0.12 0.00 99.88 0.01 0.00 0.07 99.85 0.06 0.00 0.00 0.00 95 L H H 66.20 8.27 16.31 25.61 91.80 50.34 -63.69 -41.30 0.10 0.00 99.90 0.01 0.00 0.05 99.91 0.03 0.00 0.00 0.00 96 A H H 60.43 2.88 18.35 21.22 91.81 50.94 -64.10 -40.81 0.11 0.00 99.89 0.00 0.00 0.07 99.90 0.03 0.00 0.00 0.00 97 Q H H 98.92 3.51 18.37 22.08 92.20 49.78 -65.66 -40.84 0.19 0.00 99.81 0.01 0.00 0.14 99.79 0.06 0.00 0.00 0.00 98 L H H 58.59 9.80 15.87 26.41 92.22 50.21 -64.29 -41.91 0.31 0.00 99.69 0.02 0.01 0.22 99.60 0.14 0.00 0.00 0.00 99 L H H 71.45 8.23 16.00 25.24 91.68 50.83 -63.92 -38.84 0.76 0.00 99.24 0.05 0.04 0.59 98.78 0.54 0.00 0.00 0.00 100 G H H 41.26 3.29 16.88 20.74 91.94 53.40 -65.30 -35.88 4.97 0.00 95.02 0.19 0.18 4.57 93.07 1.98 0.00 0.00 0.00 101 M H H 96.32 5.75 16.33 22.73 94.21 50.04 -71.75 -34.08 11.29 0.02 88.69 0.43 0.56 10.32 86.06 2.59 0.02 0.01 0.01 102 V H H 64.62 9.71 14.43 24.56 99.26 42.08 -85.38 -30.14 20.68 0.31 79.01 2.23 2.93 16.22 76.20 1.98 0.13 0.11 0.19 103 C C H 67.14 7.29 12.88 21.36 104.23 45.30 -98.94 15.23 54.58 7.29 38.13 22.52 14.60 19.74 33.25 2.62 0.49 2.36 4.42 104 D C C 83.66 4.65 12.31 18.50 112.54 112.62 -89.97 129.08 85.21 5.11 9.68 47.40 20.60 17.33 7.67 2.31 0.02 2.59 2.09 105 V C S 108.89 4.07 11.15 16.60 98.48 -131.74 -78.80 -11.61 91.54 3.21 5.25 26.73 46.73 18.48 3.25 1.78 0.01 1.59 1.44 106 R C S 164.09 2.02 13.04 16.03 113.24 74.85 -103.46 116.31 96.76 2.19 1.06 38.76 52.62 5.62 0.37 0.63 0.00 1.21 0.78 107 P C C 82.96 7.57 9.15 18.22 110.89 -127.00 -68.46 129.75 96.63 1.54 1.83 58.40 25.55 12.56 0.34 1.71 0.00 1.03 0.41 108 Q C C 124.14 2.51 13.92 17.77 123.24 -138.73 -114.73 141.68 86.60 11.20 2.20 66.00 15.27 5.05 0.66 1.72 0.00 7.20 4.09 109 V C C 85.66 8.06 9.53 19.05 115.34 -125.93 -87.85 133.83 85.86 13.27 0.87 78.83 6.02 0.83 0.39 0.48 0.00 7.01 6.44 110 H C C 82.11 7.05 9.55 18.61 113.07 -114.87 -74.54 137.88 98.65 0.93 0.42 96.38 2.25 0.30 0.14 0.16 0.00 0.47 0.29 111 P H G 110.54 1.83 11.48 14.42 92.38 -125.96 -61.43 -28.96 45.58 0.24 54.18 4.30 3.81 35.23 3.21 53.21 0.00 0.14 0.10 112 N H G 114.91 2.22 11.25 14.56 93.99 61.82 -77.69 -8.99 45.72 0.29 53.99 3.65 3.91 36.15 3.59 52.40 0.00 0.17 0.13 113 Y H G 109.39 8.64 8.58 18.15 102.59 62.43 -95.64 14.20 44.18 2.73 53.09 24.22 8.95 11.22 4.77 48.47 0.00 1.58 0.78 114 R C C 144.68 4.17 9.88 16.12 113.76 116.54 -88.05 127.18 80.32 7.70 11.98 61.39 12.40 6.21 6.84 5.25 0.00 4.37 3.53 115 I C C 117.04 3.95 8.40 14.23 110.70 -153.26 -90.49 121.52 84.04 7.01 8.95 65.11 8.92 9.82 5.41 3.51 0.00 5.00 2.23 116 A C C 88.47 1.97 8.31 11.91 111.16 -151.50 -92.57 118.64 93.53 2.11 4.37 83.75 1.67 9.05 2.33 1.13 0.00 1.38 0.68 117 A C C 85.88 2.72 9.92 14.26 109.85 -135.64 -87.81 117.79 99.96 0.03 0.01 99.87 0.07 0.04 0.00 0.00 0.00 0.01 0.00