# 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 T C C 74.43 5.34 14.39 20.78 113.63 -154.61 -89.21 139.77 99.81 0.04 0.15 99.70 0.09 0.08 0.10 0.00 0.00 0.01 0.01 1 R H H 141.94 4.36 12.32 18.02 96.27 -122.53 -67.39 -35.80 34.20 0.24 65.56 28.21 1.21 4.58 64.71 1.10 0.00 0.08 0.11 2 K H H 120.26 4.94 12.81 19.14 93.44 57.98 -64.88 -40.19 10.21 0.06 89.73 4.62 1.57 3.90 88.53 1.33 0.00 0.02 0.03 3 E H H 112.52 3.66 14.75 19.25 92.67 51.38 -65.92 -39.24 4.93 0.03 95.04 2.01 0.68 2.17 93.61 1.50 0.00 0.01 0.01 4 S H H 55.79 3.36 16.14 20.12 92.61 50.75 -65.31 -40.18 3.88 0.03 96.09 1.46 0.48 1.83 94.94 1.26 0.00 0.01 0.01 5 Y H H 87.15 7.81 16.60 25.51 92.22 50.36 -65.19 -41.00 2.28 0.01 97.71 0.70 0.25 1.14 97.30 0.59 0.00 0.00 0.00 6 A H H 29.08 10.54 15.75 27.72 91.76 51.92 -63.76 -41.48 1.39 0.01 98.60 0.36 0.11 0.72 98.58 0.22 0.00 0.00 0.00 7 I H H 80.97 4.44 19.53 24.23 91.78 50.21 -64.25 -42.14 0.63 0.00 99.37 0.09 0.04 0.38 99.40 0.08 0.00 0.00 0.00 8 Y H H 108.15 4.50 20.30 24.93 91.75 49.90 -64.33 -42.72 0.25 0.00 99.75 0.03 0.01 0.15 99.78 0.03 0.00 0.00 0.00 9 V H H 35.57 12.65 17.76 31.19 91.89 49.40 -64.24 -42.81 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 10 Y H H 74.25 11.77 17.82 30.07 91.90 50.45 -64.18 -41.42 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 11 K H H 109.04 2.97 21.24 23.56 91.89 50.20 -64.64 -41.57 0.16 0.00 99.84 0.01 0.00 0.11 99.86 0.02 0.00 0.00 0.00 12 V H H 51.60 6.30 18.67 26.19 91.86 49.07 -64.45 -42.24 0.29 0.00 99.71 0.01 0.01 0.22 99.71 0.04 0.00 0.00 0.00 13 L H H 24.41 14.45 13.85 29.38 91.73 50.50 -64.36 -40.21 0.46 0.00 99.54 0.03 0.02 0.34 99.45 0.14 0.00 0.00 0.00 14 K H H 104.52 6.89 15.25 23.32 92.00 52.84 -65.01 -36.88 1.87 0.00 98.12 0.09 0.08 1.64 97.74 0.45 0.00 0.00 0.00 15 Q H H 130.27 1.34 17.01 17.39 93.26 49.62 -69.48 -36.99 4.70 0.00 95.30 0.13 0.20 4.33 94.93 0.40 0.00 0.00 0.00 16 V H H 80.83 5.27 14.43 20.81 98.58 37.39 -85.87 -33.48 8.44 0.02 91.54 0.33 1.05 6.87 91.50 0.21 0.02 0.00 0.02 17 H C C 67.07 9.25 10.01 20.78 112.08 24.01 -132.83 70.34 99.13 0.22 0.65 60.76 37.33 0.95 0.57 0.10 0.00 0.05 0.24 18 P C T 92.82 4.42 11.01 17.85 94.67 168.94 -63.36 -26.13 84.09 0.23 15.67 14.06 6.28 63.15 2.85 13.39 0.00 0.12 0.15 19 D C T 130.47 0.59 14.29 13.25 95.27 54.65 -83.10 1.23 80.78 0.21 19.01 6.41 8.69 65.00 4.33 15.29 0.00 0.11 0.17 20 T C S 58.95 9.04 10.74 20.93 99.64 87.41 -90.55 -4.13 81.17 0.63 18.20 28.99 30.78 21.81 5.81 11.76 0.00 0.22 0.63 21 G C C 41.68 3.98 16.77 21.60 106.05 -123.06 80.29 16.80 86.60 1.06 12.34 48.33 24.13 14.30 8.99 3.07 0.00 0.37 0.80 22 I C C 58.42 13.51 12.03 25.61 101.72 89.91 -86.00 20.27 62.91 1.32 35.77 45.87 9.68 6.50 34.33 2.40 0.00 0.45 0.77 23 S H H 55.65 6.05 15.80 22.96 97.37 88.19 -67.93 -45.31 32.30 0.39 67.31 22.88 4.54 4.98 65.61 1.65 0.00 0.14 0.18 24 S H H 79.06 2.10 17.07 19.01 93.45 39.13 -66.87 -38.26 5.44 0.04 94.52 1.90 1.00 2.51 93.27 1.28 0.00 0.02 0.01 25 K H H 128.13 2.24 17.93 19.95 92.29 49.62 -66.69 -40.43 2.68 0.02 97.29 0.82 0.36 1.40 96.47 0.92 0.00 0.01 0.01 26 A H H 22.81 11.80 13.83 27.10 92.29 50.44 -65.03 -42.00 1.55 0.01 98.44 0.48 0.17 0.78 98.02 0.55 0.00 0.01 0.00 27 M H H 72.30 8.81 16.22 26.15 92.03 51.50 -63.72 -41.05 0.65 0.00 99.34 0.20 0.06 0.30 99.23 0.21 0.00 0.00 0.00 28 S H H 63.80 2.17 19.53 20.77 91.99 50.96 -64.78 -41.29 0.61 0.00 99.39 0.13 0.04 0.34 99.33 0.16 0.00 0.00 0.00 29 I H H 83.26 4.32 18.91 23.61 92.07 48.84 -65.16 -42.03 0.50 0.00 99.50 0.08 0.03 0.30 99.46 0.13 0.00 0.00 0.00 30 M H H 53.68 12.08 15.92 28.74 91.98 50.11 -64.55 -41.56 0.49 0.00 99.51 0.09 0.03 0.27 99.49 0.11 0.00 0.00 0.00 31 N H H 77.21 5.82 18.20 24.90 91.89 51.08 -63.85 -40.27 0.80 0.00 99.19 0.13 0.04 0.50 99.19 0.14 0.00 0.00 0.00 32 S H H 61.66 2.21 19.61 20.84 91.96 50.55 -64.90 -41.14 1.16 0.00 98.83 0.13 0.06 0.81 98.82 0.18 0.00 0.00 0.00 33 F H H 89.20 6.44 18.30 25.60 92.14 49.37 -65.27 -41.79 1.08 0.00 98.91 0.15 0.07 0.71 98.87 0.19 0.00 0.00 0.00 34 V H H 43.40 11.25 16.18 28.46 91.90 49.97 -64.22 -42.06 0.69 0.00 99.31 0.13 0.05 0.39 99.32 0.11 0.00 0.00 0.00 35 N H H 82.44 3.61 19.07 22.94 91.85 50.77 -64.04 -40.79 0.75 0.00 99.25 0.14 0.05 0.44 99.27 0.10 0.00 0.00 0.00 36 D H H 78.17 2.52 19.76 21.57 92.10 50.01 -65.04 -40.97 0.90 0.00 99.10 0.13 0.05 0.58 99.12 0.12 0.00 0.00 0.00 37 V H H 45.66 9.48 17.28 27.98 91.90 50.03 -64.46 -42.54 0.55 0.00 99.45 0.07 0.03 0.34 99.46 0.09 0.00 0.00 0.00 38 F H H 76.43 10.65 16.87 28.21 91.80 50.46 -63.70 -41.37 0.32 0.00 99.67 0.05 0.02 0.19 99.66 0.09 0.00 0.00 0.00 39 E H H 116.90 2.34 20.13 22.00 91.80 50.29 -64.59 -40.97 0.41 0.00 99.59 0.05 0.02 0.26 99.54 0.13 0.00 0.00 0.00 40 R H H 128.07 3.33 19.99 23.20 91.97 49.15 -65.34 -41.43 0.92 0.00 99.08 0.09 0.05 0.65 99.00 0.20 0.00 0.00 0.00 41 I H H 40.60 13.02 16.69 30.43 92.25 48.00 -65.74 -41.65 1.97 0.01 98.02 0.28 0.17 1.31 97.98 0.26 0.00 0.00 0.00 42 A H H 43.69 7.72 17.95 26.83 91.77 51.12 -63.41 -41.15 4.21 0.02 95.77 0.73 0.38 2.72 95.65 0.50 0.00 0.01 0.01 43 G H H 37.74 2.42 20.87 22.36 92.09 50.40 -64.20 -42.52 9.70 0.04 90.26 1.50 0.91 6.80 89.83 0.91 0.01 0.02 0.02 44 E H H 84.94 6.04 20.07 26.64 92.31 48.91 -66.21 -40.59 6.55 0.04 93.41 1.68 0.87 3.77 92.39 1.25 0.01 0.02 0.02 45 A H H 24.65 13.34 15.31 29.57 92.08 52.18 -63.81 -40.61 4.21 0.03 95.75 1.35 0.51 2.15 93.88 2.09 0.00 0.02 0.01 46 S H H 57.98 4.28 19.32 24.06 91.91 51.72 -64.46 -39.71 4.96 0.05 94.99 1.24 0.52 2.99 91.81 3.39 0.01 0.03 0.01 47 R H H 136.59 2.15 19.97 21.26 92.37 50.16 -65.82 -39.94 6.37 0.08 93.55 1.27 0.73 4.28 89.79 3.84 0.02 0.05 0.02 48 L H H 52.52 8.49 15.34 25.45 92.81 49.75 -67.02 -38.61 8.62 0.19 91.20 2.13 1.17 5.31 86.58 4.61 0.03 0.11 0.06 49 A H H 37.93 8.89 12.80 23.33 93.07 55.24 -65.95 -36.38 19.59 0.45 79.96 4.69 2.24 12.56 74.29 5.72 0.06 0.27 0.17 50 H H H 131.11 2.15 14.78 17.19 95.33 53.56 -72.58 -27.03 33.48 0.70 65.82 7.01 3.81 22.77 59.85 5.77 0.09 0.38 0.31 51 Y H H 152.14 2.65 12.66 16.20 97.84 52.34 -79.47 -26.49 45.15 1.18 53.67 11.28 9.71 25.67 47.08 4.92 0.17 0.54 0.64 52 N C T 89.99 5.20 10.46 17.16 106.03 43.45 -98.22 56.39 67.14 0.97 31.89 20.34 13.51 33.36 27.63 4.15 0.03 0.39 0.57 53 K C T 160.94 2.01 11.65 15.01 98.28 -132.77 -28.90 8.64 78.89 0.68 20.44 20.43 19.38 39.59 13.58 6.25 0.01 0.27 0.49 54 R C C 157.02 3.00 11.68 16.08 108.04 90.51 -94.53 93.50 81.38 1.24 17.38 32.48 21.33 28.29 8.60 7.95 0.01 0.54 0.80 55 S C C 69.46 5.94 11.49 18.95 109.11 -155.86 -90.19 99.74 85.81 2.80 11.38 47.92 22.50 15.96 4.14 6.81 0.00 1.54 1.13 56 T C C 89.54 4.65 15.38 21.35 116.49 67.72 -103.50 131.90 84.38 8.74 6.88 59.88 16.04 8.48 3.24 3.75 0.01 5.93 2.67 57 I C C 38.47 17.26 10.18 26.97 118.82 -148.78 -104.18 131.74 88.50 10.08 1.42 76.84 10.84 0.67 1.23 0.39 0.00 5.68 4.34 58 T C C 65.49 3.54 20.82 23.94 123.28 -139.87 -87.96 162.93 94.83 4.04 1.12 93.79 1.39 0.29 0.98 0.14 0.00 2.28 1.12 59 S H H 57.16 11.56 13.22 25.27 91.70 -105.62 -59.20 -38.89 2.58 0.01 97.41 0.66 0.44 1.26 97.24 0.40 0.00 0.00 0.00 60 R H H 155.78 1.99 18.70 20.58 91.79 53.76 -64.10 -39.81 0.91 0.00 99.09 0.14 0.09 0.57 98.89 0.32 0.00 0.00 0.00 61 E H H 80.24 8.13 18.73 27.56 91.86 49.45 -66.01 -40.57 0.34 0.00 99.65 0.07 0.03 0.19 99.39 0.32 0.00 0.00 0.00 62 I H H 14.89 20.46 15.50 35.93 91.91 50.03 -64.03 -43.11 0.15 0.00 99.85 0.03 0.01 0.08 99.80 0.09 0.00 0.00 0.00 63 Q H H 67.82 11.42 20.37 31.87 91.27 50.79 -62.78 -41.64 0.20 0.00 99.80 0.02 0.01 0.12 99.78 0.06 0.00 0.00 0.00 64 T H H 62.92 3.84 23.48 26.96 91.72 49.66 -64.54 -41.85 0.40 0.00 99.60 0.04 0.02 0.29 99.56 0.10 0.00 0.00 0.00 65 A H H 17.59 13.80 19.73 34.40 91.80 50.82 -64.07 -42.02 0.63 0.00 99.37 0.05 0.03 0.47 99.13 0.32 0.00 0.00 0.00 66 V H H 14.17 20.54 17.79 38.03 91.81 50.07 -64.20 -41.23 0.96 0.00 99.04 0.08 0.05 0.74 97.91 1.22 0.00 0.00 0.00 67 R H H 116.14 8.97 20.47 29.77 91.29 53.62 -64.35 -34.79 2.99 0.01 97.00 0.18 0.15 2.56 94.51 2.60 0.00 0.00 0.00 68 L H H 91.33 5.96 20.89 27.11 92.17 53.70 -70.39 -29.85 12.25 0.01 87.74 0.34 0.47 11.64 85.51 2.01 0.01 0.00 0.01 69 L H H 50.80 14.44 17.31 31.55 96.54 45.83 -87.36 -23.81 25.28 0.08 74.64 1.29 2.75 21.20 73.34 1.29 0.05 0.02 0.06 70 L C S 35.52 17.27 12.29 29.28 114.39 64.71 -107.88 114.54 97.86 0.33 1.81 21.31 74.50 1.87 1.78 0.19 0.00 0.08 0.27 71 P C C 82.17 4.70 16.14 21.95 112.82 -132.20 -68.32 143.64 86.44 0.41 13.15 56.75 11.57 17.66 10.18 3.36 0.00 0.17 0.32 72 G H H 44.96 3.04 16.70 20.20 118.04 19.68 77.48 -153.54 46.33 0.55 53.12 12.13 15.19 20.35 43.32 8.35 0.07 0.21 0.38 73 E H H 128.82 3.06 16.75 20.33 94.28 -18.36 -66.85 -35.19 17.83 0.31 81.86 5.46 3.48 9.15 69.89 11.66 0.06 0.17 0.13 74 L H H 56.09 10.89 14.50 26.44 92.19 54.82 -64.85 -38.73 10.07 0.33 89.59 4.02 1.59 4.58 77.35 12.12 0.02 0.24 0.08 75 A H H 24.20 14.07 13.51 28.31 92.23 54.03 -64.71 -38.19 7.47 0.27 92.26 3.25 1.10 3.13 80.07 12.18 0.01 0.21 0.05 76 K H H 128.61 3.31 19.74 23.50 92.53 52.41 -66.68 -36.08 12.06 0.45 87.49 3.63 1.80 6.62 75.89 11.57 0.04 0.34 0.11 77 H H H 94.37 5.88 18.43 24.99 96.14 50.41 -75.92 -26.45 19.58 0.98 79.43 6.52 3.23 10.44 68.88 9.87 0.09 0.69 0.28 78 A H H 27.75 14.79 14.16 29.17 96.26 70.57 -66.54 -38.83 27.21 3.22 69.57 15.43 5.31 8.53 61.52 6.16 0.08 2.15 0.82 79 V H H 69.67 9.86 16.72 26.89 96.21 51.53 -72.04 -34.00 32.45 5.56 61.99 18.93 5.78 9.70 54.42 5.78 0.12 3.99 1.27 80 S H H 65.28 4.34 17.25 22.08 99.04 58.96 -74.38 -30.38 42.54 4.01 53.45 21.47 8.33 14.35 46.17 5.82 0.12 2.55 1.18 81 E C T 113.22 5.67 16.26 22.77 98.41 45.83 -74.78 -22.98 61.22 0.97 37.81 10.96 11.24 38.02 33.31 5.44 0.07 0.47 0.49 82 G C T 32.45 10.36 15.08 25.73 99.52 40.73 -40.73 -30.44 70.11 0.72 29.18 17.17 13.37 39.31 24.47 4.96 0.02 0.33 0.37 83 T C H 61.18 10.07 15.07 25.72 97.91 63.13 -72.78 -30.16 53.67 2.46 43.87 36.80 9.04 7.89 39.37 4.76 0.01 1.39 0.74 84 K H H 116.44 4.76 18.55 23.93 96.15 66.92 -68.59 -32.46 38.86 5.03 56.12 27.33 6.46 6.63 49.71 5.21 0.03 3.61 1.01 85 A H H 40.15 9.41 15.65 26.24 94.54 60.64 -67.21 -37.32 27.69 6.26 66.06 20.49 4.25 4.92 58.27 5.84 0.03 5.35 0.84 86 V H H 53.46 12.08 14.43 26.91 94.80 53.97 -68.79 -37.35 21.38 6.52 72.10 15.95 3.30 4.09 63.88 6.02 0.03 6.01 0.72 87 T H H 72.54 5.82 15.72 22.58 94.92 57.28 -70.34 -36.08 22.61 5.29 72.11 16.01 3.48 4.93 63.89 6.17 0.04 4.81 0.67 88 K H H 126.50 3.48 15.52 19.79 95.65 55.17 -72.18 -30.24 27.69 4.02 68.29 16.98 4.76 7.82 60.47 5.97 0.06 3.21 0.72 89 Y H H 113.46 8.49 11.20 20.63 100.26 55.74 -83.94 -15.21 35.29 2.98 61.73 20.04 6.48 10.61 55.58 4.52 0.06 1.92 0.78 90 T H H 84.55 5.53 10.79 17.80 103.64 59.80 -89.55 -0.24 47.68 2.58 49.74 26.53 8.10 13.73 46.43 2.93 0.04 1.39 0.85 91 S C C 82.68 2.70 10.13 14.33 105.54 71.99 -85.88 45.88 71.63 1.23 27.15 49.90 2.68 17.14 27.33 1.78 0.00 0.61 0.56 92 A C C 82.00 3.31 11.64 16.51 104.13 65.30 -83.96 20.95 99.90 0.04 0.07 99.70 0.10 0.13 0.04 0.00 0.00 0.02 0.00