# 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 112.82 6.50 12.81 20.54 109.52 60.41 -85.40 109.58 99.96 0.03 0.01 99.92 0.05 0.02 0.00 0.00 0.00 0.01 0.00 1 V C C 94.67 5.83 10.63 18.13 114.18 -157.50 -94.01 128.71 95.04 2.56 2.40 89.35 1.65 4.66 0.84 0.94 0.00 1.44 1.11 2 A C C 70.94 5.11 11.22 18.10 114.62 -134.97 -87.68 137.77 95.46 2.76 1.78 61.51 27.32 6.78 0.42 1.33 0.00 1.62 1.01 3 R C C 154.40 4.14 14.38 20.24 113.98 -111.13 -81.12 137.55 96.13 2.54 1.33 80.37 13.52 2.26 0.43 0.84 0.00 1.40 1.19 4 V C C 61.70 13.37 11.98 25.56 114.72 -119.04 -88.07 132.19 97.61 1.62 0.77 89.55 7.37 0.80 0.41 0.28 0.00 0.85 0.74 5 P C C 52.66 11.51 14.89 27.31 109.41 -110.66 -68.16 144.64 96.17 1.10 2.72 88.26 4.76 3.46 1.45 0.94 0.00 0.51 0.61 6 Y C C 116.83 9.17 17.16 26.74 107.70 -159.14 -91.69 33.58 91.53 1.35 7.12 68.66 16.10 6.46 5.27 1.87 0.00 0.44 1.19 7 S C H 42.72 11.76 15.04 27.07 102.08 88.28 -75.72 -45.71 55.55 0.65 43.80 28.04 22.02 5.43 42.46 1.49 0.01 0.17 0.39 8 H H H 121.41 4.47 18.23 23.22 93.02 50.91 -64.84 -37.03 6.79 0.04 93.17 2.44 1.56 3.00 91.52 1.43 0.01 0.02 0.02 9 E H H 81.40 8.95 18.81 28.16 92.38 51.63 -65.87 -40.37 2.78 0.03 97.19 0.96 0.41 1.43 95.66 1.50 0.01 0.02 0.01 10 L H H 26.35 18.80 16.62 35.13 92.41 49.78 -65.64 -41.04 1.69 0.02 98.29 0.54 0.22 0.90 96.76 1.56 0.00 0.01 0.01 11 Y H H 92.35 11.35 21.03 32.18 91.74 50.85 -64.07 -40.84 2.27 0.02 97.71 0.54 0.26 1.37 96.36 1.44 0.01 0.01 0.01 12 A H H 43.27 5.71 23.31 29.30 91.60 51.36 -63.92 -40.89 7.10 0.03 92.87 0.62 0.50 5.70 91.42 1.72 0.02 0.01 0.02 13 M H H 39.19 14.75 21.65 36.26 92.18 50.61 -65.76 -38.99 12.09 0.02 87.89 0.78 0.66 10.22 86.80 1.51 0.01 0.01 0.01 14 A H H 11.04 20.94 19.16 39.77 91.68 56.16 -62.49 -41.28 4.14 0.01 95.86 0.72 0.34 2.57 95.43 0.93 0.00 0.00 0.00 15 K H H 99.74 7.66 24.19 32.07 91.67 51.91 -64.07 -40.58 3.43 0.01 96.57 0.42 0.23 2.54 95.85 0.96 0.00 0.00 0.00 16 H H H 66.18 8.32 23.55 32.33 92.08 50.61 -64.74 -41.92 1.78 0.00 98.21 0.26 0.14 1.22 97.62 0.75 0.00 0.00 0.00 17 I H H 11.72 20.69 19.86 40.41 91.75 49.49 -64.03 -43.23 0.63 0.00 99.37 0.10 0.06 0.40 98.93 0.51 0.00 0.00 0.00 18 V H H 26.80 16.96 18.29 35.22 91.53 50.77 -63.89 -40.89 0.75 0.00 99.25 0.10 0.05 0.54 98.55 0.76 0.00 0.00 0.00 19 F H H 122.13 3.65 22.90 26.15 92.39 49.85 -66.45 -39.67 1.53 0.00 98.47 0.08 0.08 1.39 97.33 1.12 0.00 0.00 0.00 20 R H H 105.90 8.85 20.27 29.37 93.45 45.72 -72.80 -31.09 6.43 0.00 93.57 0.10 0.22 6.57 92.14 0.96 0.00 0.00 0.00 21 N C H 13.09 20.42 13.14 33.98 100.51 38.54 -108.55 11.71 51.50 0.07 48.42 3.89 2.60 42.89 48.78 1.74 0.01 0.02 0.08 22 E H H 92.64 10.45 17.30 28.68 92.21 116.70 -57.80 -42.50 1.15 0.00 98.85 0.26 0.08 0.57 98.79 0.30 0.00 0.00 0.00 23 K H H 142.13 1.50 23.16 23.15 91.76 49.54 -64.58 -39.80 0.29 0.00 99.71 0.02 0.01 0.20 99.59 0.17 0.00 0.00 0.00 24 E H H 46.19 14.25 19.60 33.81 92.27 48.84 -66.32 -40.54 0.10 0.00 99.90 0.01 0.00 0.07 99.78 0.15 0.00 0.00 0.00 25 H H H 19.97 20.64 17.38 37.72 91.58 51.01 -63.59 -42.27 0.08 0.00 99.92 0.00 0.00 0.04 99.91 0.04 0.00 0.00 0.00 26 N H H 80.77 4.15 25.25 29.14 91.35 50.34 -63.61 -41.26 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 27 A H H 35.37 6.14 23.35 30.33 91.32 50.83 -63.84 -42.26 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 28 I H H 8.14 21.47 17.68 39.39 91.45 49.76 -63.50 -42.99 0.05 0.00 99.95 0.00 0.00 0.04 99.94 0.02 0.00 0.00 0.00 29 L H H 51.11 11.43 21.47 33.26 91.47 49.94 -63.70 -41.49 0.08 0.00 99.92 0.00 0.00 0.06 99.91 0.02 0.00 0.00 0.00 30 E H H 106.21 2.11 24.31 24.63 91.74 50.21 -64.45 -41.11 0.23 0.00 99.77 0.01 0.01 0.17 99.74 0.07 0.00 0.00 0.00 31 C H H 18.76 10.91 16.61 29.64 91.96 49.79 -64.50 -41.07 0.60 0.00 99.40 0.03 0.03 0.47 99.23 0.24 0.00 0.00 0.00 32 K H H 47.53 14.91 13.34 28.52 91.97 52.34 -64.44 -38.20 1.22 0.00 98.78 0.08 0.07 0.96 98.12 0.76 0.00 0.00 0.00 33 A H H 78.07 2.33 16.84 19.48 92.37 50.68 -66.84 -36.59 5.32 0.00 94.68 0.13 0.19 5.03 93.83 0.81 0.00 0.00 0.00 34 Q H H 131.83 1.33 16.06 16.59 95.63 43.39 -80.01 -33.05 19.58 0.01 80.41 0.41 1.08 17.93 79.90 0.66 0.01 0.00 0.01 35 H C C 85.08 7.51 11.10 20.09 110.61 29.33 -119.35 44.10 85.38 0.15 14.47 36.23 19.95 26.65 16.04 0.91 0.00 0.04 0.18 36 D C S 122.05 2.09 15.19 18.44 96.06 -139.91 18.20 14.65 99.70 0.04 0.27 28.79 43.15 27.78 0.07 0.16 0.00 0.02 0.03 37 W C C 109.35 5.90 15.68 23.08 110.56 109.89 -114.57 102.92 99.84 0.06 0.10 81.19 18.15 0.49 0.04 0.04 0.00 0.02 0.07 38 P H G 44.76 16.21 11.49 27.74 92.86 -164.95 -62.81 -31.88 18.69 0.05 81.26 2.47 2.03 13.47 9.84 72.14 0.00 0.03 0.02 39 E H G 130.61 2.98 17.96 21.89 91.65 61.59 -65.44 -31.86 9.04 0.01 90.95 0.39 0.49 8.11 13.46 77.54 0.00 0.01 0.00 40 D H G 91.00 3.60 19.28 23.12 92.40 54.25 -73.41 -22.61 8.72 0.01 91.27 0.36 0.50 7.73 15.24 76.15 0.00 0.01 0.00 41 C H G 10.12 19.99 10.70 30.83 97.61 49.64 -99.22 0.19 26.99 0.07 72.94 2.87 2.52 20.05 18.31 56.17 0.00 0.03 0.05 42 K H H 83.02 11.76 16.55 28.88 92.81 99.19 -58.91 -43.90 4.11 0.00 95.89 2.02 0.92 1.04 95.48 0.54 0.00 0.00 0.00 43 P H H 94.59 1.53 23.67 23.03 91.57 49.26 -63.72 -39.99 0.69 0.00 99.31 0.09 0.05 0.41 99.18 0.27 0.00 0.00 0.00 44 E H H 64.06 11.52 20.33 32.05 91.72 49.13 -65.95 -39.76 0.17 0.00 99.83 0.02 0.01 0.10 99.65 0.22 0.00 0.00 0.00 45 S H H 7.25 21.63 16.15 37.89 91.14 52.66 -62.57 -42.36 0.13 0.00 99.87 0.02 0.01 0.07 99.84 0.07 0.00 0.00 0.00 46 E H H 97.81 5.48 24.86 30.52 91.61 50.51 -63.84 -41.08 0.06 0.00 99.94 0.00 0.00 0.03 99.94 0.01 0.00 0.00 0.00 47 A H H 44.09 5.78 24.49 30.60 91.54 50.77 -64.00 -42.30 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 48 I H H 9.13 21.98 19.91 41.68 91.45 49.35 -63.93 -43.09 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 49 V H H 33.22 15.96 22.50 37.96 91.48 50.10 -63.45 -42.69 0.14 0.00 99.86 0.01 0.00 0.08 99.89 0.01 0.00 0.00 0.00 50 R H H 132.00 2.79 26.94 29.05 91.57 50.09 -63.51 -41.57 0.27 0.00 99.73 0.02 0.01 0.17 99.77 0.03 0.00 0.00 0.00 51 A H H 16.84 12.74 21.97 35.78 91.58 49.91 -63.89 -42.63 0.51 0.00 99.49 0.05 0.02 0.33 99.53 0.07 0.00 0.00 0.00 52 T H H 8.45 22.49 19.88 41.91 91.62 50.18 -64.09 -42.24 0.68 0.00 99.32 0.06 0.03 0.46 99.35 0.10 0.00 0.00 0.00 53 N H H 61.62 10.32 23.06 33.32 91.58 51.34 -63.75 -40.80 0.56 0.00 99.44 0.05 0.02 0.37 99.45 0.11 0.00 0.00 0.00 54 K H H 112.87 3.01 25.35 27.65 91.90 50.06 -65.12 -40.98 0.78 0.00 99.22 0.05 0.03 0.58 99.21 0.13 0.00 0.00 0.00 55 L H H 18.98 17.35 20.10 37.52 91.67 50.09 -64.21 -43.10 0.76 0.00 99.23 0.06 0.03 0.56 99.20 0.15 0.00 0.00 0.00 56 F H H 29.49 20.36 19.39 38.95 91.75 50.50 -63.32 -41.81 0.25 0.00 99.75 0.03 0.01 0.15 99.71 0.09 0.00 0.00 0.00 57 Q H H 90.65 4.31 23.28 27.38 91.61 50.63 -63.77 -41.65 0.21 0.00 99.79 0.02 0.01 0.13 99.75 0.10 0.00 0.00 0.00 58 D H H 63.44 5.37 22.49 28.10 91.72 49.14 -65.10 -41.22 0.40 0.00 99.60 0.03 0.02 0.28 99.49 0.18 0.00 0.00 0.00 59 I H H 7.06 22.01 15.81 38.15 91.62 49.82 -64.08 -43.06 0.54 0.00 99.46 0.04 0.03 0.37 99.16 0.38 0.00 0.00 0.00 60 M H H 64.28 14.50 17.61 31.79 91.36 51.55 -63.71 -37.72 1.90 0.00 98.10 0.13 0.09 1.53 97.30 0.95 0.00 0.00 0.00 61 Q H H 129.68 1.51 21.35 21.54 92.64 50.44 -68.44 -34.62 10.87 0.00 89.12 0.19 0.30 10.86 87.51 1.15 0.00 0.00 0.00 62 K H H 107.81 6.25 19.09 25.88 98.75 35.69 -89.46 -27.12 17.26 0.02 82.72 0.30 1.30 15.91 81.71 0.74 0.02 0.00 0.01 63 A C C 9.12 20.29 11.65 31.91 104.54 36.62 -118.13 43.42 86.75 0.52 12.73 54.18 23.37 8.28 12.59 0.93 0.00 0.11 0.54 64 P H H 62.37 8.71 16.94 27.04 93.64 141.95 -59.78 -41.40 6.90 0.02 93.08 4.94 0.56 1.33 92.73 0.43 0.00 0.01 0.01 65 E H H 129.80 1.75 22.55 22.97 92.00 50.45 -64.59 -40.29 0.71 0.00 99.29 0.08 0.05 0.46 99.11 0.31 0.00 0.00 0.00 66 E H H 47.60 12.96 18.95 32.31 92.16 49.71 -65.71 -40.74 0.28 0.00 99.72 0.04 0.01 0.16 99.49 0.29 0.00 0.00 0.00 67 F H H 13.97 22.20 15.99 37.92 91.80 50.44 -64.00 -41.81 0.10 0.00 99.90 0.01 0.00 0.06 99.81 0.12 0.00 0.00 0.00 68 K H H 108.91 5.36 23.90 29.68 91.45 50.80 -63.52 -41.47 0.06 0.00 99.94 0.00 0.00 0.04 99.93 0.03 0.00 0.00 0.00 69 D H H 66.85 5.45 24.29 29.80 91.63 49.74 -64.11 -42.04 0.11 0.00 99.89 0.00 0.00 0.08 99.88 0.03 0.00 0.00 0.00 70 Y H H 15.03 21.31 19.60 40.57 91.76 49.24 -64.69 -42.66 0.14 0.00 99.86 0.01 0.00 0.11 99.85 0.03 0.00 0.00 0.00 71 A H H 17.69 16.08 20.98 37.15 91.00 51.32 -62.48 -42.48 0.34 0.00 99.66 0.01 0.01 0.27 99.65 0.06 0.00 0.00 0.00 72 K H H 109.95 2.85 26.17 28.19 91.60 50.60 -63.96 -41.33 1.51 0.00 98.49 0.05 0.06 1.37 98.28 0.24 0.00 0.00 0.00 73 C H H 13.51 13.28 18.60 33.60 91.43 50.79 -63.27 -42.59 1.33 0.00 98.67 0.10 0.09 1.02 97.92 0.87 0.00 0.00 0.00 74 L H H 17.27 19.75 16.06 35.70 91.68 49.74 -64.99 -39.88 2.26 0.00 97.73 0.16 0.17 1.83 95.67 2.16 0.01 0.00 0.00 75 D H H 79.50 6.75 19.53 26.85 93.65 47.10 -70.33 -35.61 6.37 0.01 93.62 0.27 0.37 5.67 91.68 1.99 0.01 0.00 0.00 76 W H H 157.51 3.07 18.92 21.98 99.88 34.53 -90.64 -28.73 17.18 0.04 82.78 0.72 1.63 14.95 81.17 1.43 0.05 0.01 0.03 77 Y C T 95.48 8.61 13.45 23.36 103.34 26.74 -112.36 6.78 67.00 0.73 32.27 14.45 14.12 37.99 30.33 2.23 0.05 0.19 0.64 78 G C T 37.12 6.69 16.45 24.48 107.17 -127.31 67.73 16.75 97.07 0.12 2.81 8.88 9.56 78.76 0.73 1.93 0.00 0.07 0.08 79 L C T 84.99 13.93 14.39 27.72 94.65 -46.07 61.27 19.15 97.78 0.09 2.13 6.75 17.62 73.49 0.31 1.73 0.00 0.05 0.06 80 K C C 109.10 3.98 20.61 25.12 108.52 126.09 -95.73 107.46 98.67 0.26 1.06 87.27 10.36 1.09 0.54 0.38 0.00 0.07 0.30 81 F H H 68.36 17.18 11.77 28.38 93.98 -171.46 -63.75 -35.34 14.16 0.08 85.76 6.03 2.53 5.83 78.75 6.77 0.01 0.03 0.05 82 S H H 75.57 1.91 20.16 21.31 91.55 58.52 -63.20 -39.72 5.10 0.01 94.88 0.62 0.46 3.58 86.84 8.49 0.00 0.00 0.00 83 K H H 90.09 5.23 19.18 25.18 92.02 49.16 -66.12 -38.53 3.31 0.01 96.68 0.39 0.26 2.33 88.46 8.55 0.00 0.00 0.00 84 C H H 6.58 21.55 12.22 33.80 92.38 50.83 -66.19 -40.29 4.93 0.01 95.05 0.86 0.51 3.20 90.18 5.23 0.00 0.01 0.01 85 R H H 109.02 8.57 19.88 29.01 91.74 53.79 -62.88 -41.26 1.23 0.00 98.77 0.37 0.13 0.50 98.74 0.26 0.00 0.00 0.00 86 E H H 122.17 1.55 23.81 23.20 91.83 50.03 -64.53 -41.08 0.46 0.00 99.54 0.10 0.03 0.21 99.51 0.15 0.00 0.00 0.00 87 K H H 55.06 13.95 19.42 33.26 91.98 49.16 -65.74 -40.88 0.42 0.00 99.58 0.06 0.02 0.22 99.54 0.16 0.00 0.00 0.00 88 Q H H 31.74 19.18 17.44 35.97 91.47 52.11 -62.86 -41.71 0.50 0.00 99.50 0.06 0.03 0.28 99.53 0.10 0.00 0.00 0.00 89 A H H 55.09 3.22 23.72 26.30 91.49 50.98 -63.53 -41.65 0.26 0.00 99.74 0.03 0.01 0.14 99.77 0.06 0.00 0.00 0.00 90 A H H 41.14 6.15 21.92 28.83 91.56 50.55 -64.18 -41.76 0.22 0.00 99.78 0.02 0.01 0.14 99.72 0.11 0.00 0.00 0.00 91 F H H 7.80 23.94 15.13 39.17 91.61 50.35 -63.93 -42.36 0.25 0.00 99.75 0.02 0.01 0.17 99.52 0.28 0.00 0.00 0.00 92 E H H 86.55 11.99 19.85 31.63 91.09 52.31 -63.68 -35.98 0.83 0.00 99.17 0.04 0.03 0.72 98.45 0.77 0.00 0.00 0.00 93 A H H 81.41 1.74 23.16 23.68 91.51 54.02 -70.02 -26.35 9.54 0.00 90.46 0.13 0.22 9.84 88.89 0.92 0.00 0.00 0.00 94 A H H 26.57 14.71 16.63 31.67 96.65 51.05 -87.10 -16.21 30.92 0.04 69.04 0.90 1.84 27.80 68.15 1.25 0.02 0.01 0.04 95 F C S 30.11 20.76 12.55 32.48 116.69 68.35 -108.82 119.42 97.54 1.63 0.82 26.62 69.87 1.29 0.63 0.18 0.00 0.55 0.87 96 P C C 66.66 6.65 18.56 26.15 112.70 -126.98 -70.25 143.89 93.29 4.60 2.11 81.70 6.44 5.00 0.80 1.19 0.00 2.33 2.56 97 L C C 95.65 10.38 11.73 22.61 100.02 -136.69 -80.69 -5.61 90.91 4.66 4.43 50.02 23.58 17.43 1.09 3.18 0.00 2.20 2.49 98 S C C 74.50 3.86 11.90 17.49 114.08 92.89 -95.56 133.50 95.83 1.62 2.55 81.69 3.61 10.70 0.56 1.78 0.00 0.98 0.68 99 E C C 138.05 3.63 12.92 18.25 106.77 -114.45 -78.71 109.16 99.96 0.03 0.01 99.86 0.07 0.04 0.00 0.00 0.00 0.01 0.00