# 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 101.44 6.16 11.66 19.17 111.45 -150.63 -86.98 140.65 99.92 0.02 0.06 99.82 0.07 0.06 0.04 0.00 0.00 0.01 0.00 1 S C C 64.66 3.55 11.09 16.00 109.94 -121.21 -77.20 149.60 69.33 0.20 30.47 63.70 0.98 3.62 30.69 0.83 0.00 0.06 0.12 2 E H H 134.89 2.32 10.58 14.18 94.73 -110.66 -65.76 -34.97 21.70 0.10 78.20 11.69 3.70 6.01 76.98 1.53 0.00 0.03 0.05 3 S H H 72.32 1.52 12.52 14.09 93.36 53.29 -66.48 -38.70 13.64 0.07 86.28 6.70 2.08 4.70 84.85 1.60 0.00 0.03 0.03 4 Q H H 90.93 4.22 12.69 18.29 92.84 50.80 -66.06 -40.09 5.09 0.03 94.89 2.37 0.78 1.87 93.91 1.05 0.00 0.01 0.01 5 K H H 87.42 7.43 13.16 21.90 92.10 51.12 -64.07 -41.21 2.03 0.01 97.96 0.77 0.27 0.84 97.71 0.40 0.00 0.00 0.00 6 E H H 95.85 2.54 16.40 19.11 91.89 50.56 -64.46 -41.07 1.24 0.00 98.75 0.40 0.13 0.55 98.69 0.22 0.00 0.00 0.00 7 T H H 70.94 2.40 17.35 19.46 91.93 49.99 -64.55 -41.49 1.02 0.00 98.98 0.27 0.09 0.50 98.96 0.16 0.00 0.00 0.00 8 F H H 67.16 8.97 15.40 25.65 92.17 49.77 -64.64 -42.28 0.79 0.00 99.21 0.16 0.06 0.42 99.26 0.11 0.00 0.00 0.00 9 R H H 95.81 8.89 16.05 25.92 91.72 51.64 -63.55 -40.62 0.44 0.00 99.56 0.08 0.03 0.22 99.62 0.06 0.00 0.00 0.00 10 K H H 120.80 1.75 19.20 19.76 91.87 50.77 -64.37 -41.59 0.34 0.00 99.66 0.05 0.02 0.18 99.69 0.05 0.00 0.00 0.00 11 Y H H 105.21 3.91 17.57 22.01 91.82 49.36 -64.47 -42.31 0.36 0.00 99.64 0.04 0.02 0.23 99.65 0.06 0.00 0.00 0.00 12 L H H 33.31 12.35 12.92 26.55 92.22 49.55 -64.98 -41.47 0.49 0.00 99.51 0.06 0.03 0.31 99.47 0.13 0.00 0.00 0.00 13 E H H 100.05 5.45 14.76 21.62 91.91 50.41 -63.96 -40.45 1.01 0.00 98.98 0.10 0.06 0.74 98.70 0.40 0.00 0.00 0.00 14 Q H H 141.22 0.93 16.34 15.98 91.54 51.72 -65.95 -31.19 5.19 0.00 94.80 0.11 0.16 5.00 94.35 0.38 0.00 0.00 0.00 15 A C T 59.21 5.42 12.86 19.77 93.02 53.21 -83.35 -7.61 73.78 0.01 26.21 0.27 1.27 71.62 26.29 0.55 0.00 0.00 0.01 16 G C T 46.23 3.67 16.70 21.15 96.03 -111.51 80.22 9.64 98.98 0.01 1.01 0.89 2.30 95.80 0.93 0.07 0.00 0.00 0.00 17 A H H 32.04 10.87 13.83 26.17 95.61 121.30 -74.38 -29.15 38.41 0.11 61.48 31.06 3.00 3.54 61.71 0.59 0.00 0.02 0.08 18 I H H 61.28 11.91 15.02 27.40 92.83 60.65 -63.33 -42.07 2.24 0.00 97.76 0.50 0.27 1.19 97.68 0.36 0.00 0.00 0.00 19 D H H 89.93 2.44 19.81 21.78 92.17 51.21 -64.54 -40.10 0.44 0.00 99.56 0.09 0.03 0.23 99.34 0.32 0.00 0.00 0.00 20 V H H 64.83 5.68 18.59 25.00 92.16 50.70 -65.39 -41.33 0.20 0.00 99.80 0.02 0.01 0.12 99.56 0.29 0.00 0.00 0.00 21 L H H 43.25 14.45 16.30 31.08 92.15 50.58 -64.53 -41.86 0.27 0.00 99.73 0.02 0.01 0.17 99.67 0.12 0.00 0.00 0.00 22 V H H 60.02 7.89 18.70 27.40 91.73 50.27 -64.28 -41.21 0.24 0.00 99.76 0.02 0.01 0.13 99.81 0.02 0.00 0.00 0.00 23 K H H 119.94 2.48 21.53 23.41 91.91 50.66 -64.37 -41.31 0.13 0.00 99.87 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 24 V H H 38.50 10.70 17.85 29.69 91.78 50.35 -64.34 -42.77 0.09 0.00 99.91 0.00 0.00 0.05 99.91 0.03 0.00 0.00 0.00 25 L H H 47.87 13.21 17.60 31.17 91.79 50.31 -63.85 -41.67 0.13 0.00 99.87 0.01 0.00 0.08 99.84 0.06 0.00 0.00 0.00 26 V H H 70.44 4.24 19.79 24.29 91.44 50.14 -63.59 -41.74 0.36 0.00 99.64 0.02 0.01 0.28 99.20 0.48 0.00 0.00 0.00 27 Q H H 84.59 3.96 19.18 23.50 91.73 50.79 -64.51 -39.91 1.61 0.00 98.39 0.06 0.05 1.49 96.34 2.06 0.00 0.00 0.00 28 L H H 33.52 13.54 13.58 28.16 91.91 51.78 -65.60 -36.93 5.11 0.00 94.89 0.20 0.20 4.72 90.40 4.47 0.00 0.00 0.00 29 Y H H 113.65 8.00 14.83 23.78 91.87 53.89 -70.49 -28.03 25.36 0.03 74.61 1.01 1.22 23.01 70.61 4.09 0.02 0.01 0.02 30 E C T 137.78 1.62 15.54 16.77 94.63 51.48 -84.37 -13.10 62.65 0.13 37.22 5.30 6.09 49.90 34.89 3.64 0.01 0.04 0.12 31 E C C 77.65 8.43 7.94 17.83 114.06 90.53 -90.48 126.16 99.04 0.32 0.64 64.09 33.83 1.05 0.40 0.18 0.00 0.06 0.39 32 P C T 123.63 0.90 11.93 12.79 94.48 -149.71 -66.59 -23.33 99.00 0.11 0.89 9.08 26.04 63.72 0.08 0.96 0.00 0.06 0.06 33 S C T 88.69 1.40 12.42 14.12 105.23 58.76 -91.11 59.51 98.85 0.24 0.91 10.93 25.39 62.31 0.07 1.07 0.00 0.14 0.10 34 K C C 105.91 10.13 10.41 21.40 113.80 -142.78 -75.55 133.41 99.25 0.57 0.18 59.66 38.95 0.62 0.04 0.12 0.00 0.18 0.42 35 P C C 39.31 11.29 9.98 22.67 116.00 -113.07 -68.07 150.54 99.35 0.44 0.21 97.99 1.08 0.35 0.05 0.08 0.00 0.13 0.33 36 K C S 170.83 0.97 16.15 16.26 93.67 -137.20 -76.35 -24.80 99.82 0.07 0.11 10.49 88.25 1.13 0.04 0.03 0.00 0.02 0.03 37 T C S 64.39 3.95 17.15 21.80 131.33 27.71 -136.72 149.29 98.18 1.16 0.65 32.97 63.58 1.39 0.49 0.12 0.00 0.18 1.27 38 A H H 36.71 14.41 12.70 27.52 92.23 -125.44 -60.86 -36.92 2.19 0.00 97.81 0.29 0.35 1.39 96.99 0.97 0.00 0.00 0.00 39 L H H 75.02 7.97 16.99 25.91 91.71 55.33 -63.47 -40.11 0.95 0.00 99.04 0.07 0.06 0.76 98.06 1.05 0.00 0.00 0.00 40 D H H 67.93 3.27 18.89 22.34 91.54 50.37 -64.53 -40.07 0.35 0.00 99.65 0.04 0.03 0.24 98.55 1.15 0.00 0.00 0.00 41 Y H H 45.77 10.59 14.82 27.23 91.93 51.40 -63.54 -42.70 0.20 0.00 99.79 0.02 0.01 0.12 99.47 0.36 0.00 0.00 0.00 42 I H H 41.88 12.83 14.27 27.97 92.08 49.46 -64.60 -41.89 0.33 0.00 99.67 0.03 0.02 0.23 99.33 0.38 0.00 0.00 0.00 43 K H H 115.53 4.65 15.78 21.56 92.09 50.60 -65.00 -38.74 0.96 0.00 99.04 0.05 0.05 0.81 98.38 0.71 0.00 0.00 0.00 44 Q H H 123.77 2.26 16.08 18.66 93.73 48.13 -71.00 -34.38 4.24 0.00 95.76 0.11 0.18 4.09 94.57 1.05 0.01 0.00 0.00 45 C H H 70.83 6.74 13.55 21.41 101.33 35.11 -91.69 -27.86 20.37 0.03 79.61 0.61 1.26 18.58 78.29 1.20 0.03 0.01 0.02 46 L C H 83.13 8.01 11.06 20.17 101.80 38.32 -96.60 -11.08 53.05 0.80 46.15 8.44 12.13 32.70 43.72 1.98 0.15 0.22 0.66 47 G C C 46.44 2.65 14.29 17.88 118.56 -112.24 90.73 -174.29 96.56 0.82 2.62 52.96 25.67 18.15 1.26 1.03 0.00 0.29 0.64 48 S C C 81.38 3.26 13.17 17.78 114.69 -50.18 -85.51 132.64 99.56 0.33 0.10 70.96 27.86 0.77 0.04 0.05 0.00 0.13 0.19 49 P C C 62.67 10.43 8.96 20.21 114.17 -115.89 -70.21 147.55 99.51 0.30 0.19 94.50 4.58 0.45 0.08 0.07 0.00 0.10 0.22 50 T C C 79.79 2.49 13.41 16.58 119.04 -123.92 -83.75 159.57 99.38 0.16 0.46 97.15 2.06 0.23 0.33 0.05 0.00 0.04 0.13 51 P H H 105.71 2.24 11.52 15.00 93.71 -104.08 -59.23 -37.01 12.07 0.05 87.87 4.25 2.43 5.76 82.65 4.84 0.01 0.02 0.03 52 A H H 79.16 1.18 12.96 13.63 93.30 53.35 -66.06 -37.65 8.55 0.04 91.41 2.42 1.16 4.74 86.92 4.72 0.01 0.02 0.02 53 E H H 96.41 4.13 12.78 18.27 93.52 49.67 -68.77 -37.11 5.45 0.05 94.51 2.55 0.67 2.26 89.92 4.54 0.00 0.03 0.01 54 Y H H 93.36 7.98 11.88 21.36 92.50 54.61 -64.01 -41.54 1.43 0.01 98.56 0.62 0.17 0.55 98.09 0.57 0.00 0.00 0.00 55 E H H 120.69 1.55 16.81 17.54 92.25 50.58 -64.66 -40.45 0.51 0.00 99.49 0.14 0.04 0.24 99.41 0.17 0.00 0.00 0.00 56 A H H 58.84 2.07 16.77 18.44 91.95 50.31 -64.57 -41.01 0.36 0.00 99.64 0.07 0.02 0.19 99.58 0.13 0.00 0.00 0.00 57 V H H 52.45 6.83 14.32 22.94 92.17 49.93 -64.71 -41.52 0.33 0.00 99.66 0.06 0.02 0.18 99.63 0.11 0.00 0.00 0.00 58 V H H 70.80 4.66 16.25 22.01 91.77 50.68 -63.38 -41.83 0.29 0.00 99.71 0.06 0.02 0.15 99.71 0.06 0.00 0.00 0.00 59 A H H 61.07 1.68 17.59 18.15 91.66 50.18 -63.98 -41.57 0.35 0.00 99.65 0.06 0.02 0.19 99.67 0.06 0.00 0.00 0.00 60 E H H 106.45 2.55 17.12 19.58 91.92 49.72 -64.65 -40.84 0.40 0.00 99.60 0.06 0.02 0.24 99.61 0.07 0.00 0.00 0.00 61 R H H 108.22 5.66 15.39 22.08 91.99 49.93 -65.10 -40.43 0.36 0.00 99.64 0.06 0.02 0.21 99.64 0.07 0.00 0.00 0.00 62 D H H 82.21 2.14 17.13 18.91 91.68 50.90 -63.90 -40.83 0.36 0.00 99.63 0.05 0.02 0.21 99.65 0.07 0.00 0.00 0.00 63 G H H 36.82 2.00 16.93 18.50 91.70 50.37 -63.92 -40.65 0.72 0.00 99.28 0.07 0.03 0.47 99.34 0.08 0.00 0.00 0.00 64 L H H 76.50 4.40 14.99 20.47 91.96 50.58 -65.02 -40.23 0.48 0.00 99.52 0.07 0.03 0.27 99.55 0.08 0.00 0.00 0.00 65 Q H H 97.83 3.08 15.91 19.54 91.70 51.76 -64.08 -40.81 0.28 0.00 99.72 0.05 0.01 0.15 99.74 0.05 0.00 0.00 0.00 66 K H H 125.47 1.28 17.31 17.03 91.77 50.52 -64.48 -41.57 0.27 0.00 99.73 0.04 0.01 0.14 99.75 0.05 0.00 0.00 0.00 67 Q H H 99.66 2.50 16.52 18.95 91.77 49.92 -64.48 -41.18 0.23 0.00 99.77 0.03 0.01 0.13 99.78 0.04 0.00 0.00 0.00 68 L H H 76.50 4.75 14.71 20.60 91.91 50.07 -63.99 -41.75 0.21 0.00 99.79 0.03 0.01 0.12 99.79 0.04 0.00 0.00 0.00 69 E H H 109.49 1.71 17.38 18.14 91.57 50.24 -63.98 -41.11 0.27 0.00 99.73 0.03 0.01 0.17 99.74 0.05 0.00 0.00 0.00 70 E H H 107.56 1.69 17.12 17.86 91.80 49.78 -64.47 -41.20 0.33 0.00 99.67 0.03 0.01 0.21 99.69 0.05 0.00 0.00 0.00 71 A H H 48.28 4.67 14.56 20.43 91.94 50.64 -64.25 -41.20 0.30 0.00 99.70 0.04 0.01 0.17 99.73 0.05 0.00 0.00 0.00 72 N H H 89.31 2.90 16.29 19.43 91.71 51.06 -64.21 -40.58 0.30 0.00 99.70 0.04 0.01 0.16 99.74 0.04 0.00 0.00 0.00 73 Q H H 109.07 1.34 17.51 17.27 91.92 50.23 -64.86 -41.17 0.29 0.00 99.71 0.04 0.01 0.16 99.75 0.04 0.00 0.00 0.00 74 L H H 85.25 2.90 16.38 19.49 91.92 49.75 -64.36 -41.78 0.27 0.00 99.73 0.04 0.02 0.14 99.76 0.04 0.00 0.00 0.00 75 I H H 77.77 4.77 14.70 20.54 91.85 49.58 -64.31 -41.58 0.22 0.00 99.78 0.04 0.01 0.11 99.80 0.03 0.00 0.00 0.00 76 A H H 60.08 1.96 16.77 18.25 91.40 50.84 -63.73 -41.41 0.20 0.00 99.80 0.02 0.01 0.11 99.82 0.03 0.00 0.00 0.00 77 E H H 114.21 1.46 17.28 17.45 91.94 49.56 -64.83 -41.21 0.32 0.00 99.68 0.03 0.01 0.19 99.72 0.05 0.00 0.00 0.00 78 L H H 77.43 3.89 14.85 19.64 91.99 49.56 -64.47 -41.38 0.41 0.00 99.59 0.05 0.02 0.24 99.63 0.06 0.00 0.00 0.00 79 Q H H 98.73 3.15 15.40 19.10 91.69 50.86 -63.84 -40.77 0.47 0.00 99.53 0.07 0.03 0.25 99.59 0.06 0.00 0.00 0.00 80 S H H 62.98 1.56 16.39 17.00 91.66 50.41 -64.15 -40.75 0.86 0.00 99.14 0.12 0.05 0.50 99.23 0.10 0.00 0.00 0.00 81 R H H 136.58 1.83 16.27 17.57 92.06 49.86 -65.06 -41.61 0.94 0.00 99.06 0.16 0.07 0.51 99.13 0.12 0.00 0.00 0.00 82 V H H 73.50 3.64 14.05 18.63 92.17 49.48 -64.80 -41.54 0.91 0.00 99.09 0.21 0.08 0.45 99.12 0.15 0.00 0.00 0.00 83 Q H H 105.32 1.85 15.29 17.00 91.75 50.73 -64.37 -40.75 1.00 0.00 99.00 0.21 0.08 0.52 98.94 0.25 0.00 0.00 0.00 84 S H H 67.12 1.51 15.22 16.05 92.18 50.43 -64.81 -40.22 1.96 0.00 98.03 0.31 0.14 1.23 97.93 0.39 0.00 0.00 0.00 85 L H H 90.25 2.44 13.64 16.56 92.53 49.82 -65.51 -40.23 2.87 0.01 97.12 0.60 0.29 1.64 96.96 0.50 0.00 0.00 0.00 86 E H H 107.77 2.28 13.23 16.05 92.24 51.39 -65.02 -40.59 4.66 0.03 95.31 1.44 0.61 2.25 94.99 0.69 0.00 0.01 0.01 87 A H H 63.81 1.59 12.53 14.26 92.39 51.45 -65.34 -39.08 9.76 0.05 90.19 3.23 1.11 4.76 89.64 1.22 0.00 0.02 0.02 88 A H H 69.04 1.66 11.24 13.38 93.17 51.94 -67.28 -36.45 15.18 0.09 84.73 5.63 2.04 7.03 83.21 2.00 0.01 0.04 0.04 89 A H H 77.38 1.83 9.67 12.37 94.37 54.53 -70.13 -31.76 24.62 0.20 75.18 10.08 3.55 10.67 72.91 2.60 0.01 0.09 0.10 90 E H H 149.59 1.00 9.06 10.52 96.73 55.12 -75.90 -22.40 39.30 0.39 60.31 17.73 5.20 16.56 57.63 2.49 0.01 0.15 0.21 91 T C C 111.73 0.99 8.18 9.80 101.38 59.46 -83.41 -4.21 64.62 0.30 35.08 42.83 1.47 18.11 36.02 1.29 0.00 0.11 0.18 92 A C C 81.65 2.62 9.45 13.64 104.88 85.95 -78.25 32.28 99.95 0.01 0.04 99.85 0.06 0.07 0.02 0.00 0.00 0.00 0.00