# 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 A C C 54.66 9.80 13.41 23.88 113.97 -143.97 -82.41 136.68 99.97 0.02 0.01 99.90 0.06 0.03 0.00 0.00 0.00 0.00 0.00 1 D C C 104.64 3.71 14.02 19.04 106.76 -117.42 -86.17 101.27 95.99 0.24 3.77 91.60 1.96 2.38 3.47 0.32 0.00 0.07 0.20 2 T C C 55.63 9.95 10.04 21.03 112.24 151.95 -98.38 117.31 63.86 0.20 35.93 43.22 12.10 5.09 38.30 1.11 0.00 0.06 0.12 3 P H H 91.86 2.00 15.83 17.69 94.02 -123.65 -62.45 -35.35 24.44 0.09 75.47 12.25 3.68 7.84 74.53 1.61 0.00 0.03 0.05 4 E H H 90.04 6.89 16.50 24.38 92.97 52.37 -67.23 -38.29 11.61 0.09 88.30 5.79 1.72 4.33 86.40 1.68 0.00 0.04 0.04 5 I H H 20.41 18.27 12.74 31.01 92.26 51.31 -65.10 -40.81 4.21 0.03 95.75 2.25 0.57 1.47 94.66 1.03 0.00 0.02 0.01 6 Q H H 95.26 3.81 19.78 23.87 91.57 51.80 -63.54 -40.83 2.07 0.01 97.92 1.02 0.24 0.76 97.55 0.42 0.00 0.00 0.00 7 Q H H 98.84 2.34 21.58 22.73 91.87 50.12 -64.55 -41.37 1.33 0.00 98.67 0.46 0.13 0.60 98.59 0.22 0.00 0.00 0.00 8 L H H 16.57 17.04 15.58 33.32 91.87 50.51 -64.37 -42.14 0.58 0.00 99.41 0.14 0.04 0.28 99.42 0.11 0.00 0.00 0.00 9 Q H H 68.18 13.26 18.03 31.08 91.60 52.74 -62.48 -41.75 0.50 0.00 99.50 0.10 0.03 0.25 99.55 0.08 0.00 0.00 0.00 10 Q H H 107.83 1.61 22.43 21.78 91.82 49.96 -64.25 -41.16 0.79 0.00 99.21 0.11 0.05 0.45 99.29 0.10 0.00 0.00 0.00 11 Q H H 74.59 5.19 19.27 25.26 91.96 49.24 -65.34 -40.08 0.91 0.00 99.08 0.13 0.07 0.56 99.11 0.14 0.00 0.00 0.00 12 V H H 15.24 18.04 11.57 29.82 91.92 51.03 -65.11 -39.70 1.41 0.00 98.58 0.16 0.10 1.01 98.35 0.38 0.00 0.00 0.00 13 A H H 67.75 5.15 16.12 22.45 92.22 53.19 -66.55 -33.30 4.97 0.00 95.03 0.19 0.22 4.38 94.80 0.41 0.00 0.00 0.00 14 E H H 147.87 0.92 16.88 16.03 94.92 44.96 -78.40 -29.36 10.06 0.01 89.93 0.24 1.00 8.51 89.97 0.26 0.01 0.00 0.01 15 N C C 76.27 5.02 13.72 20.50 115.32 16.11 -137.52 84.80 99.91 0.05 0.04 84.51 15.25 0.15 0.02 0.01 0.00 0.01 0.05 16 P C T 72.05 11.76 11.21 23.88 93.53 -171.23 -64.20 -22.69 68.67 0.06 31.27 2.24 2.54 61.77 1.34 32.05 0.00 0.03 0.03 17 E C T 140.11 2.70 18.15 21.57 93.74 62.46 -83.86 -3.24 68.39 0.08 31.53 1.83 2.79 62.44 2.04 30.82 0.00 0.04 0.05 18 D C C 54.81 10.06 16.41 27.70 103.42 101.59 -85.06 89.26 69.40 0.37 30.23 62.80 4.61 3.75 8.10 20.37 0.00 0.14 0.23 19 A H H 28.27 18.53 15.51 33.45 94.87 148.48 -67.72 -33.19 4.13 0.01 95.86 1.60 0.46 1.77 95.37 0.79 0.00 0.00 0.00 20 A H H 57.14 6.56 24.25 31.14 91.66 59.60 -63.07 -41.16 1.08 0.00 98.92 0.17 0.08 0.65 98.75 0.35 0.00 0.00 0.00 21 L H H 39.78 11.09 23.89 35.52 91.76 49.97 -65.09 -41.58 0.25 0.00 99.75 0.05 0.01 0.13 99.65 0.16 0.00 0.00 0.00 22 A H H 4.65 23.19 20.65 43.53 91.13 52.22 -62.61 -43.03 0.07 0.00 99.93 0.01 0.00 0.04 99.91 0.04 0.00 0.00 0.00 23 T H H 23.49 17.72 24.47 41.37 91.35 50.34 -63.33 -42.29 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.02 0.00 0.00 0.00 24 Q H H 88.24 5.74 29.29 35.91 91.30 50.36 -63.58 -42.35 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 25 L H H 17.45 17.70 25.81 43.26 91.48 49.80 -63.93 -43.17 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 26 A H H 2.15 24.95 21.95 46.82 91.09 50.69 -62.73 -43.07 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 27 L H H 48.22 11.14 26.25 37.89 91.63 50.38 -63.67 -42.01 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 28 Q H H 64.64 7.10 26.09 33.85 91.69 50.32 -63.99 -42.07 0.10 0.00 99.90 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 29 L H H 10.49 17.61 17.64 36.26 91.61 49.89 -64.15 -42.65 0.27 0.00 99.73 0.02 0.01 0.17 99.74 0.06 0.00 0.00 0.00 30 H H H 58.41 15.49 16.71 31.76 91.69 51.13 -63.53 -41.22 0.76 0.00 99.24 0.06 0.03 0.56 99.12 0.23 0.00 0.00 0.00 31 Q H H 125.63 2.96 19.60 23.20 90.91 54.08 -64.87 -30.45 5.27 0.00 94.72 0.09 0.14 5.21 94.31 0.25 0.00 0.00 0.00 32 V C T 74.08 7.28 15.84 24.42 93.45 50.76 -88.64 0.14 79.77 0.01 20.22 0.16 0.88 78.40 20.15 0.40 0.00 0.00 0.01 33 G C T 50.18 4.10 17.53 22.73 96.11 -105.72 83.59 10.88 99.81 0.00 0.18 0.63 1.11 98.15 0.09 0.02 0.00 0.00 0.00 34 R C C 96.21 7.98 16.86 26.19 103.17 130.10 -100.82 64.78 99.59 0.15 0.25 99.24 0.34 0.10 0.16 0.02 0.00 0.03 0.12 35 N H H 42.23 19.09 13.65 31.94 94.48 155.13 -64.66 -39.85 3.50 0.01 96.50 1.76 0.41 1.14 96.23 0.45 0.00 0.00 0.00 36 E H H 114.39 5.40 22.81 29.14 91.88 53.20 -63.57 -41.35 0.67 0.00 99.33 0.07 0.05 0.42 99.14 0.32 0.00 0.00 0.00 37 E H H 89.41 4.27 25.41 29.49 91.47 48.20 -64.89 -40.74 0.25 0.00 99.75 0.03 0.01 0.15 99.50 0.31 0.00 0.00 0.00 38 A H H 3.17 22.25 17.86 40.71 91.57 51.26 -63.13 -43.74 0.12 0.00 99.88 0.01 0.01 0.06 99.83 0.09 0.00 0.00 0.00 39 L H H 11.51 21.60 21.41 42.53 91.07 50.33 -62.76 -42.64 0.07 0.00 99.93 0.00 0.00 0.04 99.93 0.03 0.00 0.00 0.00 40 E H H 106.89 3.94 27.50 31.81 91.25 50.85 -63.54 -41.61 0.07 0.00 99.93 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 41 L H H 38.96 11.90 24.70 36.97 91.92 49.61 -64.53 -42.55 0.11 0.00 99.89 0.00 0.00 0.08 99.87 0.04 0.00 0.00 0.00 42 L H H 2.13 26.29 20.57 47.03 91.57 49.53 -64.48 -43.57 0.25 0.00 99.75 0.02 0.01 0.19 99.73 0.06 0.00 0.00 0.00 43 F H H 39.07 16.96 22.97 39.19 91.30 50.52 -63.13 -42.54 0.49 0.00 99.51 0.03 0.02 0.38 99.49 0.08 0.00 0.00 0.00 44 G H H 28.00 3.90 25.03 28.96 91.07 51.26 -62.73 -42.23 2.21 0.00 97.79 0.11 0.10 1.86 97.70 0.23 0.00 0.00 0.00 45 H H H 31.22 13.26 20.47 34.56 92.10 49.83 -65.10 -41.76 2.72 0.01 97.28 0.29 0.28 2.02 96.76 0.64 0.00 0.00 0.00 46 L H H 9.75 22.75 14.82 37.45 91.57 51.70 -64.44 -40.71 2.44 0.01 97.54 0.41 0.27 1.62 96.49 1.20 0.01 0.00 0.00 47 R H H 138.66 5.96 19.28 26.40 91.81 51.48 -65.67 -36.76 6.01 0.01 93.97 0.53 0.51 4.79 92.69 1.45 0.01 0.00 0.01 48 K H H 139.71 2.09 19.39 20.99 95.64 43.81 -77.89 -30.79 13.02 0.02 86.96 0.73 1.41 10.80 85.90 1.12 0.03 0.01 0.02 49 D C H 59.69 10.10 15.51 26.22 110.02 23.42 -125.57 70.60 62.88 0.30 36.82 31.53 9.63 20.77 35.48 2.25 0.01 0.08 0.26 50 L C T 65.91 15.87 12.28 27.56 94.92 158.71 -68.54 -17.75 65.80 0.35 33.85 17.21 6.14 42.02 15.48 18.67 0.00 0.17 0.30 51 T C T 96.21 2.99 18.80 22.13 95.32 64.90 -84.83 -6.71 66.92 0.41 32.67 13.37 8.20 44.86 12.54 20.45 0.01 0.20 0.37 52 A C C 34.35 13.14 10.56 24.23 106.32 107.21 -75.05 109.82 67.72 0.60 31.68 38.15 13.58 15.69 11.61 20.19 0.00 0.24 0.54 53 A C T 73.49 5.59 14.35 20.96 98.50 -134.88 -71.18 -21.38 75.38 0.45 24.17 24.21 17.88 33.94 11.64 11.73 0.00 0.17 0.44 54 D C T 105.79 3.19 16.13 20.04 99.80 37.82 -87.42 16.51 78.07 0.30 21.63 15.95 23.14 39.50 11.81 9.17 0.00 0.11 0.32 55 G C H 35.20 8.80 15.28 24.84 98.83 -114.37 77.75 -4.40 61.35 0.29 38.37 20.17 26.52 14.26 34.98 3.74 0.01 0.07 0.24 56 Q H H 91.99 5.04 20.86 26.38 93.71 106.78 -66.67 -37.94 11.67 0.07 88.27 4.42 2.51 4.86 86.08 2.06 0.01 0.02 0.04 57 T H H 9.11 21.12 15.44 36.48 92.23 51.18 -64.88 -42.15 5.04 0.04 94.91 2.03 0.73 2.35 93.43 1.43 0.00 0.02 0.01 58 R H H 78.68 14.52 20.15 33.98 91.41 52.01 -62.31 -42.09 1.37 0.01 98.61 0.52 0.18 0.65 97.73 0.90 0.00 0.01 0.00 59 K H H 115.95 2.56 25.79 27.33 91.65 49.94 -64.14 -41.88 0.96 0.00 99.04 0.29 0.11 0.51 98.74 0.34 0.00 0.00 0.00 60 T H H 25.74 13.05 21.58 35.19 91.72 49.68 -64.20 -42.52 1.12 0.00 98.88 0.25 0.10 0.69 98.74 0.22 0.00 0.00 0.00 61 F H H 7.21 24.88 18.35 43.09 91.42 50.67 -63.21 -42.78 0.36 0.00 99.64 0.06 0.02 0.21 99.64 0.07 0.00 0.00 0.00 62 Q H H 77.10 9.85 23.19 33.05 91.36 51.42 -63.07 -41.63 0.11 0.00 99.89 0.01 0.00 0.06 99.89 0.03 0.00 0.00 0.00 63 E H H 104.02 3.30 25.78 28.59 91.68 50.09 -64.57 -41.70 0.08 0.00 99.92 0.00 0.00 0.05 99.92 0.03 0.00 0.00 0.00 64 I H H 12.00 19.63 19.73 39.44 91.43 48.90 -63.60 -43.86 0.08 0.00 99.92 0.01 0.00 0.05 99.90 0.04 0.00 0.00 0.00 65 L H H 22.20 19.56 18.36 37.42 91.27 49.85 -63.22 -41.54 0.12 0.00 99.88 0.01 0.00 0.09 99.82 0.08 0.00 0.00 0.00 66 A H H 65.83 3.58 22.20 25.81 91.59 51.43 -64.15 -38.45 0.91 0.00 99.09 0.03 0.03 0.81 98.69 0.43 0.00 0.00 0.00 67 A H H 55.74 7.17 19.85 27.60 91.82 52.43 -67.96 -32.63 4.55 0.00 95.45 0.11 0.16 4.40 94.78 0.55 0.00 0.00 0.00 68 L H H 34.62 16.73 13.94 30.57 94.18 49.09 -81.46 -17.63 18.56 0.07 81.37 1.64 3.42 13.55 80.54 0.74 0.03 0.02 0.06 69 G C C 28.68 5.96 17.89 25.21 124.02 -126.50 87.00 171.81 96.32 0.37 3.31 78.95 7.46 10.07 1.32 1.74 0.00 0.15 0.31 70 T C T 101.00 4.86 13.46 20.06 107.66 -67.81 -67.62 128.70 95.76 0.54 3.70 13.75 21.52 60.22 0.69 3.18 0.00 0.26 0.38 71 G C T 63.44 1.04 16.08 16.30 96.97 26.25 81.52 -1.29 95.96 0.25 3.80 14.99 23.34 57.27 0.62 3.50 0.00 0.12 0.16 72 D C S 57.32 9.58 10.46 21.51 118.99 121.77 -81.30 147.12 90.09 0.47 9.43 34.29 52.23 3.30 8.44 1.15 0.00 0.10 0.50 73 A H H 81.92 1.71 17.65 18.93 92.07 -125.97 -61.08 -35.58 19.79 0.06 80.15 2.04 4.50 13.27 77.93 2.17 0.04 0.02 0.04 74 L H H 48.09 11.09 16.46 28.58 92.44 53.80 -65.57 -40.36 11.82 0.04 88.14 1.53 1.56 8.65 86.05 2.16 0.02 0.02 0.02 75 A H H 9.26 17.37 13.61 31.86 91.35 51.80 -63.10 -42.50 3.55 0.02 96.43 1.04 0.50 1.82 95.18 1.44 0.00 0.01 0.00 76 S H H 54.73 3.48 21.03 24.33 91.65 51.31 -63.37 -41.73 2.40 0.01 97.59 0.76 0.29 1.20 96.93 0.81 0.00 0.00 0.00 77 K H H 109.23 2.89 21.82 24.05 92.07 49.89 -64.75 -41.49 1.54 0.00 98.46 0.30 0.13 0.94 98.16 0.46 0.00 0.00 0.00 78 Y H H 30.39 16.93 16.12 33.37 92.18 49.57 -64.66 -42.29 1.06 0.00 98.94 0.19 0.08 0.65 98.82 0.26 0.00 0.00 0.00 79 R H H 94.42 12.56 18.01 30.40 91.61 52.15 -62.20 -41.64 0.49 0.00 99.51 0.10 0.03 0.27 99.48 0.12 0.00 0.00 0.00 80 R H H 144.45 1.80 21.11 21.68 91.98 50.39 -64.35 -41.12 0.29 0.00 99.71 0.04 0.02 0.17 99.68 0.10 0.00 0.00 0.00 81 Q H H 83.57 5.29 19.13 25.09 92.03 49.41 -65.52 -40.98 0.36 0.00 99.64 0.04 0.02 0.23 99.55 0.15 0.00 0.00 0.00 82 L H H 22.82 16.80 13.48 30.79 92.14 49.81 -64.87 -41.62 0.68 0.00 99.32 0.09 0.04 0.45 99.05 0.37 0.00 0.00 0.00 83 Y H H 109.18 6.66 15.84 23.64 91.90 51.59 -64.26 -39.83 1.33 0.00 98.67 0.21 0.10 0.91 97.43 1.34 0.00 0.00 0.00 84 A H H 70.35 1.89 15.66 17.35 92.26 52.97 -66.08 -36.10 4.56 0.00 95.44 0.29 0.21 3.81 91.68 4.00 0.00 0.00 0.00 85 L H H 82.66 7.24 12.95 21.53 93.87 51.71 -72.21 -29.84 14.55 0.01 85.43 0.76 0.61 13.03 82.04 3.55 0.01 0.00 0.01 86 L H H 70.21 10.80 10.54 21.86 98.23 47.48 -88.09 -13.63 36.51 0.23 63.26 10.18 1.19 24.36 61.62 2.37 0.00 0.07 0.20 87 Y C C 140.87 5.69 13.14 20.26 105.52 90.51 -82.29 90.28 99.95 0.04 0.02 99.86 0.07 0.05 0.01 0.00 0.00 0.01 0.01