# 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 94.57 7.95 12.07 21.16 112.35 -152.26 -86.34 123.55 99.94 0.03 0.03 99.89 0.05 0.03 0.02 0.00 0.00 0.01 0.00 1 Q C C 110.65 3.06 13.55 17.46 109.48 -129.68 -76.49 136.78 72.87 0.85 26.28 68.68 0.72 3.64 25.24 0.96 0.00 0.26 0.51 2 L H H 85.18 8.34 10.55 19.65 94.87 -125.00 -65.30 -34.74 20.30 0.13 79.57 11.03 2.68 6.60 77.74 1.82 0.00 0.05 0.07 3 T H H 78.16 4.38 13.68 19.20 92.86 55.92 -65.42 -38.80 7.88 0.05 92.07 3.48 1.02 3.28 90.35 1.81 0.00 0.02 0.02 4 Y H H 127.86 2.84 15.74 18.76 92.32 51.80 -65.93 -40.24 2.40 0.02 97.59 0.89 0.31 1.14 96.14 1.51 0.00 0.01 0.00 5 V H H 56.35 8.36 14.89 24.41 92.06 50.32 -65.19 -41.33 1.06 0.01 98.94 0.31 0.10 0.54 98.51 0.54 0.00 0.00 0.00 6 L H H 60.13 10.30 15.81 26.69 92.02 50.18 -64.89 -41.11 0.55 0.00 99.45 0.10 0.04 0.32 99.31 0.23 0.00 0.00 0.00 7 I H H 89.15 3.70 19.54 23.35 91.93 49.43 -64.52 -42.34 0.42 0.00 99.57 0.06 0.03 0.27 99.52 0.13 0.00 0.00 0.00 8 L H H 77.71 4.82 20.43 25.29 91.56 49.34 -64.22 -42.20 0.41 0.00 99.58 0.05 0.02 0.27 99.56 0.10 0.00 0.00 0.00 9 A H H 26.02 12.48 17.29 30.78 91.65 50.36 -63.93 -41.60 0.49 0.00 99.50 0.05 0.02 0.33 99.51 0.08 0.00 0.00 0.00 10 A H H 39.33 9.29 19.34 29.22 91.67 51.45 -63.72 -41.18 0.27 0.00 99.73 0.02 0.01 0.17 99.73 0.06 0.00 0.00 0.00 11 L H H 87.11 3.99 22.36 26.00 91.70 50.43 -64.09 -41.22 0.12 0.00 99.88 0.01 0.00 0.08 99.87 0.04 0.00 0.00 0.00 12 L H H 60.98 10.34 20.44 31.02 91.65 50.55 -64.33 -41.64 0.12 0.00 99.88 0.01 0.00 0.08 99.86 0.04 0.00 0.00 0.00 13 F H H 64.20 14.36 19.66 33.70 91.76 49.68 -64.60 -41.32 0.23 0.00 99.77 0.01 0.01 0.16 99.77 0.05 0.00 0.00 0.00 14 C H H 58.43 6.37 22.66 29.09 91.87 50.18 -64.61 -42.35 0.33 0.00 99.67 0.02 0.01 0.23 99.69 0.05 0.00 0.00 0.00 15 I H H 79.66 5.04 23.97 28.85 91.57 49.57 -64.22 -42.58 0.16 0.00 99.84 0.01 0.00 0.11 99.82 0.05 0.00 0.00 0.00 16 G H H 11.06 16.03 17.80 34.47 91.54 51.42 -63.47 -42.67 0.19 0.00 99.81 0.01 0.00 0.14 99.76 0.08 0.00 0.00 0.00 17 I H H 61.07 11.23 21.52 32.75 91.58 49.45 -63.69 -42.23 0.30 0.00 99.70 0.02 0.01 0.24 99.60 0.13 0.00 0.00 0.00 18 Y H H 118.10 4.07 24.17 27.22 91.47 49.47 -63.88 -42.00 0.55 0.00 99.45 0.02 0.03 0.48 99.20 0.27 0.00 0.00 0.00 19 G H H 17.15 10.39 17.90 29.76 91.66 51.34 -64.04 -40.66 1.60 0.00 98.40 0.06 0.07 1.46 97.54 0.86 0.00 0.00 0.00 20 L H H 41.43 16.02 15.55 31.43 92.17 51.07 -66.82 -37.18 3.70 0.00 96.29 0.11 0.18 3.49 94.38 1.83 0.00 0.00 0.00 21 V H H 86.27 6.22 18.85 25.47 94.02 47.72 -74.83 -29.28 10.86 0.01 89.13 0.43 0.78 9.65 87.56 1.55 0.02 0.00 0.01 22 T H H 88.74 3.30 18.61 21.63 98.42 43.02 -97.75 -13.50 32.80 0.17 67.03 3.86 5.54 23.57 65.08 1.68 0.07 0.04 0.15 23 S C C 32.96 14.32 9.65 24.04 114.18 92.69 -85.62 127.25 97.26 0.40 2.34 86.19 5.86 5.13 1.96 0.39 0.00 0.13 0.35 24 R C C 176.10 2.18 16.99 19.91 98.65 -171.50 -97.01 -7.67 98.92 0.51 0.57 65.68 30.25 3.03 0.29 0.21 0.00 0.17 0.38 25 N C C 73.79 5.63 16.08 23.19 115.03 98.81 -86.04 129.24 96.54 2.62 0.83 52.64 42.73 0.70 0.67 0.13 0.00 0.31 2.82 26 A H H 51.11 11.23 14.50 26.61 92.69 -141.85 -61.57 -37.32 3.73 0.01 96.26 0.45 0.88 2.22 96.07 0.37 0.00 0.00 0.00 27 V H H 82.06 6.08 18.59 25.23 91.73 53.98 -63.74 -41.33 1.22 0.00 98.78 0.12 0.10 0.84 98.63 0.31 0.00 0.00 0.00 28 R H H 98.47 7.54 20.17 28.28 92.02 48.19 -66.33 -39.63 0.25 0.00 99.75 0.03 0.02 0.15 99.57 0.23 0.00 0.00 0.00 29 V H H 26.73 16.07 17.62 33.93 91.78 52.16 -63.21 -42.81 0.07 0.00 99.93 0.01 0.00 0.04 99.88 0.07 0.00 0.00 0.00 30 L H H 50.68 13.08 21.60 34.42 91.65 50.19 -63.66 -41.99 0.07 0.00 99.93 0.00 0.00 0.04 99.92 0.03 0.00 0.00 0.00 31 M H H 79.08 7.18 24.17 31.65 91.73 49.96 -64.50 -41.55 0.08 0.00 99.92 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 32 S H H 19.83 13.80 21.10 35.48 91.85 51.46 -64.07 -42.41 0.11 0.00 99.89 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 33 I H H 35.99 16.44 22.69 38.53 91.52 49.84 -63.81 -42.34 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 34 E H H 63.14 12.37 22.89 35.11 91.79 51.13 -63.88 -41.89 0.07 0.00 99.93 0.01 0.00 0.05 99.93 0.02 0.00 0.00 0.00 35 L H H 65.27 9.03 23.90 33.23 92.03 49.72 -64.63 -41.80 0.12 0.00 99.88 0.01 0.00 0.08 99.87 0.03 0.00 0.00 0.00 36 L H H 46.23 13.87 22.71 36.09 92.09 49.69 -64.76 -42.16 0.19 0.00 99.81 0.01 0.00 0.13 99.79 0.06 0.00 0.00 0.00 37 L H H 41.25 15.62 22.16 37.28 91.80 49.59 -64.43 -41.77 0.77 0.00 99.23 0.03 0.02 0.67 99.19 0.09 0.00 0.00 0.00 38 N H H 60.61 10.06 23.53 33.69 91.98 50.22 -64.66 -40.78 1.71 0.00 98.28 0.07 0.05 1.45 98.31 0.12 0.00 0.00 0.00 39 A H H 35.75 9.05 23.28 32.77 91.86 51.10 -64.29 -42.13 0.60 0.00 99.40 0.05 0.03 0.42 99.35 0.15 0.00 0.00 0.00 40 V H H 37.18 14.03 22.98 36.80 91.74 49.55 -64.22 -42.51 0.36 0.00 99.64 0.03 0.02 0.25 99.54 0.16 0.00 0.00 0.00 41 N H H 39.41 15.24 21.83 36.73 92.03 50.58 -63.97 -41.70 0.41 0.00 99.59 0.04 0.02 0.30 99.43 0.21 0.00 0.00 0.00 42 L H H 71.80 7.98 24.44 32.52 91.76 50.19 -64.63 -41.67 0.37 0.00 99.63 0.02 0.02 0.29 99.41 0.27 0.00 0.00 0.00 43 N H H 55.91 10.21 23.27 33.45 92.01 50.39 -64.41 -41.26 0.77 0.00 99.23 0.04 0.03 0.64 98.84 0.43 0.00 0.00 0.00 44 L H H 38.69 16.00 21.13 36.60 92.05 50.63 -64.42 -41.71 1.00 0.00 99.00 0.04 0.04 0.85 98.31 0.75 0.00 0.00 0.00 45 I H H 60.99 11.18 21.81 33.02 91.90 50.29 -64.35 -41.78 1.94 0.00 98.06 0.08 0.10 1.67 96.37 1.77 0.00 0.00 0.00 46 G H H 26.83 7.09 21.15 28.98 91.74 51.41 -64.43 -39.79 7.46 0.01 92.54 0.31 0.36 6.70 89.20 3.42 0.01 0.00 0.00 47 F H H 69.45 10.25 19.87 30.56 92.70 49.78 -68.63 -35.25 14.16 0.04 85.80 1.16 1.17 11.38 77.63 8.59 0.03 0.02 0.03 48 A H H 24.81 14.22 14.45 29.54 91.27 61.64 -65.35 -31.84 19.93 0.10 79.98 2.14 1.77 13.90 60.89 21.16 0.04 0.05 0.06 49 N H H 95.98 5.50 17.39 23.89 92.38 60.20 -72.71 -20.10 39.75 0.12 60.13 2.57 2.91 31.80 41.36 21.17 0.04 0.06 0.11 50 Y C T 143.30 4.22 15.90 20.76 98.06 52.80 -89.80 -10.40 52.95 0.38 46.68 5.88 7.73 37.75 31.38 16.64 0.08 0.17 0.36 51 L C S 68.98 10.20 9.97 21.14 116.78 83.56 -97.89 139.36 80.30 1.64 18.06 26.82 38.91 14.52 14.56 3.26 0.02 0.49 1.42 52 D C C 111.47 2.02 14.45 16.90 110.21 -109.76 -83.16 124.16 94.66 0.59 4.76 70.40 13.83 10.34 2.61 2.11 0.00 0.25 0.46 53 G C T 48.59 5.01 12.43 18.59 98.67 -44.60 46.38 -18.34 64.47 0.43 35.10 17.15 14.96 32.99 16.10 18.21 0.01 0.18 0.40 54 Q C T 123.03 3.24 14.23 18.45 98.36 64.66 -78.34 -16.49 55.85 0.53 43.63 16.47 10.99 28.49 23.81 19.56 0.03 0.23 0.43 55 Q C H 94.23 6.98 14.06 22.13 102.91 69.52 -79.60 17.00 50.52 1.00 48.49 27.61 9.54 13.76 30.18 17.88 0.01 0.47 0.55 56 I H H 68.52 10.87 13.99 25.30 96.80 110.71 -74.06 -26.42 38.08 0.88 61.04 27.76 5.17 6.51 54.56 5.20 0.01 0.39 0.39 57 K H H 114.86 4.59 19.49 24.61 93.73 65.84 -64.56 -39.99 16.69 0.21 83.11 7.80 2.22 7.00 80.16 2.62 0.01 0.10 0.09 58 G H H 22.43 9.68 16.91 27.75 92.46 51.76 -64.38 -39.78 9.72 0.06 90.22 3.35 1.18 5.07 88.00 2.34 0.01 0.03 0.03 59 Q H H 64.09 11.88 18.17 30.20 92.21 52.26 -65.29 -39.52 2.54 0.02 97.44 0.98 0.30 1.19 96.30 1.21 0.00 0.01 0.00 60 V H H 64.01 8.07 20.58 28.69 92.15 51.65 -63.66 -42.28 1.04 0.00 98.95 0.27 0.09 0.57 98.54 0.53 0.00 0.00 0.00 61 F H H 100.62 5.79 22.11 28.05 91.95 49.87 -64.70 -41.36 0.60 0.00 99.39 0.12 0.04 0.35 99.19 0.29 0.00 0.00 0.00 62 A H H 24.78 12.93 17.99 31.64 91.89 51.00 -64.16 -41.79 0.37 0.00 99.63 0.06 0.02 0.22 99.56 0.15 0.00 0.00 0.00 63 V H H 54.09 11.23 20.44 31.55 91.80 50.19 -63.96 -42.04 0.22 0.00 99.78 0.02 0.01 0.14 99.75 0.07 0.00 0.00 0.00 64 F H H 97.80 6.83 22.39 29.02 91.76 49.78 -64.21 -42.00 0.14 0.00 99.86 0.02 0.01 0.09 99.85 0.04 0.00 0.00 0.00 65 V H H 54.64 9.84 21.37 31.40 91.76 49.27 -64.53 -42.61 0.12 0.00 99.88 0.01 0.00 0.07 99.88 0.03 0.00 0.00 0.00 66 I H H 55.32 13.16 20.79 33.65 92.13 48.53 -64.97 -41.85 0.12 0.00 99.88 0.01 0.00 0.07 99.88 0.03 0.00 0.00 0.00 67 T H H 49.96 10.20 21.94 31.74 91.94 49.31 -64.14 -42.32 0.18 0.00 99.82 0.02 0.01 0.11 99.83 0.03 0.00 0.00 0.00 68 V H H 65.84 6.99 24.12 31.17 91.63 48.57 -64.13 -42.42 0.14 0.00 99.86 0.01 0.01 0.08 99.88 0.02 0.00 0.00 0.00 69 A H H 29.05 11.58 21.12 33.24 91.78 50.76 -63.64 -42.32 0.12 0.00 99.88 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 70 A H H 34.79 11.46 22.38 33.99 91.88 49.65 -64.10 -41.89 0.11 0.00 99.89 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 71 A H H 41.18 8.22 23.26 31.30 91.63 50.21 -63.59 -42.35 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 72 E H H 79.44 8.26 24.24 32.53 91.70 50.04 -64.28 -41.62 0.15 0.00 99.85 0.01 0.00 0.11 99.85 0.03 0.00 0.00 0.00 73 A H H 31.21 12.64 20.98 33.64 91.64 50.50 -64.12 -41.56 0.30 0.00 99.70 0.02 0.01 0.22 99.71 0.05 0.00 0.00 0.00 74 A H H 41.10 9.43 22.16 31.68 91.89 50.73 -64.16 -41.93 0.32 0.00 99.68 0.03 0.01 0.22 99.70 0.04 0.00 0.00 0.00 75 V H H 72.15 6.01 24.31 29.88 91.57 49.38 -63.95 -42.14 0.22 0.00 99.78 0.02 0.01 0.14 99.80 0.04 0.00 0.00 0.00 76 G H H 22.30 9.64 20.66 30.85 91.51 50.59 -63.80 -42.38 0.23 0.00 99.77 0.02 0.01 0.14 99.79 0.04 0.00 0.00 0.00 77 L H H 60.26 10.60 20.85 31.65 91.75 49.95 -64.47 -41.46 0.15 0.00 99.85 0.01 0.00 0.09 99.87 0.03 0.00 0.00 0.00 78 A H H 43.30 7.64 20.73 28.37 91.40 51.47 -63.50 -41.58 0.11 0.00 99.89 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 79 I H H 81.74 5.42 21.91 27.62 91.59 49.68 -64.25 -42.05 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 80 I H H 56.20 10.39 19.36 29.99 91.60 49.78 -63.82 -42.51 0.17 0.00 99.83 0.01 0.01 0.09 99.85 0.03 0.00 0.00 0.00 81 L H H 59.04 8.96 18.80 28.69 91.79 49.99 -64.05 -41.32 0.30 0.00 99.70 0.03 0.01 0.18 99.71 0.07 0.00 0.00 0.00 82 A H H 44.11 5.45 18.39 24.34 91.52 51.08 -63.42 -41.36 0.84 0.00 99.16 0.08 0.04 0.58 99.06 0.23 0.00 0.00 0.00 83 I H H 69.68 5.42 17.14 23.58 91.96 49.42 -64.95 -41.30 1.95 0.01 98.05 0.19 0.13 1.43 97.72 0.52 0.00 0.00 0.00 84 Y H H 84.62 8.69 13.88 23.69 92.27 50.70 -65.61 -39.70 5.27 0.04 94.70 0.97 0.58 3.49 93.75 1.17 0.01 0.01 0.01 85 R H H 132.85 5.01 14.26 20.24 92.73 52.30 -67.17 -35.45 15.18 0.06 84.76 1.77 1.29 11.73 83.39 1.74 0.02 0.03 0.03 86 N H H 111.13 2.22 13.80 16.30 96.35 46.95 -83.93 -11.39 32.05 0.15 67.79 4.42 3.82 23.42 66.25 1.91 0.03 0.06 0.09 87 R C H 131.69 5.23 10.75 17.23 102.96 69.40 -89.66 7.69 60.09 0.81 39.10 21.61 14.74 24.13 35.77 2.95 0.03 0.28 0.50 88 D C C 112.62 2.62 12.96 16.74 100.59 -143.75 -70.95 21.83 81.42 0.89 17.68 39.30 16.11 26.12 13.44 4.13 0.00 0.42 0.47 89 T C C 78.42 5.06 12.21 18.86 117.78 103.70 -106.28 135.34 81.76 2.68 15.56 52.59 15.52 13.26 11.55 4.43 0.00 1.40 1.26 90 V C C 72.49 9.29 10.46 20.80 112.87 -159.93 -98.82 121.27 82.03 4.07 13.90 53.67 19.97 7.96 11.23 3.32 0.01 2.04 1.79 91 D C C 79.29 4.17 14.48 19.78 107.57 -157.03 -91.89 101.24 85.75 2.94 11.31 73.06 7.47 4.72 9.31 2.51 0.00 1.52 1.42 92 M H H 86.34 9.57 10.04 20.73 94.82 -169.93 -66.25 -30.09 36.83 0.57 62.60 12.78 5.60 17.05 34.61 29.37 0.02 0.31 0.26 93 E H H 134.14 1.89 13.12 15.71 93.01 58.47 -67.40 -31.75 32.12 0.28 67.61 6.05 3.90 19.55 37.28 32.91 0.03 0.14 0.14 94 K H H 130.11 2.29 12.82 15.86 94.57 52.29 -74.20 -28.59 29.39 0.47 70.14 7.85 4.44 15.42 37.60 34.19 0.03 0.24 0.22 95 F H H 86.99 7.80 8.85 18.11 101.58 57.81 -84.81 -11.61 43.04 0.93 56.03 19.75 9.58 14.07 37.58 18.03 0.05 0.42 0.52 96 N H H 95.99 3.76 11.72 16.91 101.19 78.55 -73.27 21.13 49.14 0.90 49.96 22.00 7.71 19.32 29.10 20.88 0.03 0.45 0.51 97 L H G 98.67 4.46 9.92 16.10 98.03 113.35 -76.27 -16.38 45.54 0.93 53.53 18.34 7.36 19.56 23.87 29.90 0.02 0.46 0.49 98 L C G 105.64 4.19 8.92 14.83 100.81 71.96 -81.06 -4.86 52.49 1.27 46.23 21.49 8.59 22.59 18.61 27.37 0.02 0.63 0.69 99 K C C 151.51 1.99 9.29 12.71 103.09 87.04 -82.96 26.73 70.61 0.75 28.64 49.60 2.74 21.46 11.68 13.67 0.00 0.40 0.44 100 W C C 163.30 4.98 9.93 16.43 106.26 128.20 -85.97 71.66 99.96 0.01 0.03 99.83 0.07 0.07 0.01 0.00 0.00 0.00 0.00