# 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 106.26 7.01 15.36 23.34 116.98 -161.35 -93.57 137.29 99.94 0.04 0.01 99.89 0.05 0.03 0.00 0.00 0.00 0.02 0.00 1 A C C 65.28 7.51 13.83 22.53 116.13 -123.45 -84.78 141.54 95.85 2.28 1.88 92.71 1.32 2.18 1.21 0.40 0.00 1.05 1.13 2 L C C 37.17 17.16 9.51 26.01 116.20 -116.75 -84.68 137.20 96.68 1.46 1.86 81.35 13.71 1.57 1.46 0.41 0.00 0.59 0.92 3 T C C 67.85 2.90 18.13 20.84 121.65 -128.25 -81.38 162.84 97.23 0.81 1.95 93.64 3.08 0.59 1.77 0.19 0.00 0.26 0.47 4 A H H 65.54 7.00 12.41 21.02 92.01 -108.80 -58.93 -38.99 3.76 0.01 96.22 1.17 0.85 1.56 95.95 0.46 0.00 0.00 0.00 5 E H H 131.86 1.23 16.76 16.86 92.10 51.81 -64.73 -40.42 1.88 0.00 98.12 0.38 0.23 1.07 97.84 0.47 0.00 0.00 0.00 6 Q H H 73.74 7.13 15.70 24.20 92.04 48.62 -66.01 -40.03 0.96 0.00 99.04 0.28 0.10 0.48 98.64 0.49 0.00 0.00 0.00 7 K H H 44.91 17.53 13.47 30.49 91.68 52.14 -63.04 -42.03 0.46 0.00 99.54 0.12 0.04 0.22 99.47 0.15 0.00 0.00 0.00 8 K H H 103.53 5.84 19.36 26.07 91.38 50.85 -63.58 -40.81 0.43 0.00 99.57 0.07 0.03 0.22 99.60 0.08 0.00 0.00 0.00 9 E H H 101.88 2.25 22.30 23.05 91.63 49.84 -64.63 -42.02 0.59 0.00 99.41 0.08 0.03 0.34 99.43 0.11 0.00 0.00 0.00 10 I H H 17.30 15.59 17.28 33.84 92.06 49.42 -64.24 -43.43 1.06 0.00 98.94 0.11 0.07 0.71 98.93 0.17 0.00 0.00 0.00 11 L H H 16.09 19.74 14.69 34.42 91.79 49.97 -63.42 -41.42 1.45 0.00 98.55 0.22 0.13 0.96 97.94 0.75 0.00 0.00 0.00 12 R H H 158.93 2.41 19.51 22.36 91.73 51.31 -64.09 -39.54 3.10 0.01 96.89 0.26 0.16 2.49 91.77 5.31 0.00 0.00 0.00 13 S H H 74.87 3.24 19.04 22.75 91.67 51.22 -67.24 -30.81 9.97 0.01 90.02 0.34 0.41 9.22 85.12 4.88 0.01 0.00 0.01 14 Y H H 56.21 16.03 14.17 30.14 97.68 39.46 -98.62 -1.78 38.31 0.06 61.63 1.10 2.69 34.48 57.17 4.44 0.05 0.02 0.06 15 G C T 34.08 6.30 21.17 28.16 103.89 -111.09 83.44 33.65 98.90 0.09 1.00 23.00 5.16 70.97 0.47 0.31 0.00 0.04 0.05 16 L C C 40.62 19.68 10.76 29.06 113.45 -158.05 -84.68 128.30 98.48 0.63 0.89 87.76 9.34 1.27 0.33 0.42 0.00 0.20 0.68 17 H C C 94.46 3.92 19.26 23.41 130.80 4.39 -123.16 166.73 97.04 2.32 0.64 83.20 11.15 1.53 0.22 0.36 0.00 0.45 3.08 18 E C T 146.32 3.69 13.51 19.23 91.61 -94.07 -61.99 -27.53 99.46 0.09 0.45 0.55 7.95 91.03 0.03 0.36 0.00 0.05 0.04 19 T C T 111.43 1.23 16.02 16.52 95.92 49.39 -91.36 -1.37 99.63 0.10 0.28 1.04 6.15 92.45 0.02 0.25 0.00 0.05 0.03 20 D C C 42.64 14.68 9.85 24.67 108.68 110.19 -80.23 114.53 97.37 2.45 0.18 85.30 11.06 0.53 0.06 0.11 0.00 0.67 2.26 21 T C C 87.78 5.78 17.86 24.93 98.75 -174.48 -97.44 -2.59 98.85 0.75 0.40 57.43 11.75 29.63 0.09 0.29 0.00 0.32 0.49 22 G C S 31.27 12.27 17.05 29.10 97.55 68.61 -75.46 -2.77 98.92 0.66 0.42 30.49 38.00 30.48 0.11 0.28 0.00 0.27 0.37 23 S C C 37.14 9.21 20.00 30.09 115.91 127.81 -76.55 141.12 99.37 0.28 0.35 85.23 13.84 0.15 0.34 0.04 0.00 0.05 0.35 24 P H H 43.76 15.96 17.88 33.75 92.79 -131.89 -59.95 -36.82 1.73 0.00 98.27 0.24 0.23 1.02 98.33 0.18 0.00 0.00 0.00 25 E H H 93.07 9.75 23.03 32.82 91.75 54.61 -63.71 -40.45 0.49 0.00 99.51 0.04 0.03 0.33 99.47 0.13 0.00 0.00 0.00 26 A H H 16.88 13.75 21.37 35.82 91.95 49.96 -64.90 -41.84 0.08 0.00 99.92 0.01 0.00 0.05 99.86 0.08 0.00 0.00 0.00 27 Q H H 38.53 17.42 23.14 39.47 91.79 50.62 -64.02 -42.73 0.04 0.00 99.96 0.00 0.00 0.02 99.94 0.03 0.00 0.00 0.00 28 I H H 23.68 18.02 23.30 40.75 91.64 50.06 -63.74 -42.98 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 29 A H H 29.09 10.01 25.18 36.03 91.53 50.34 -63.57 -42.27 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 30 L H H 34.73 13.33 24.26 37.78 91.64 49.47 -64.21 -42.49 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 31 L H H 16.75 20.52 21.99 41.93 91.93 50.27 -64.39 -42.08 0.15 0.00 99.85 0.01 0.00 0.08 99.88 0.01 0.00 0.00 0.00 32 T H H 38.88 13.73 22.69 36.07 91.66 50.94 -64.06 -41.62 0.22 0.00 99.78 0.02 0.01 0.12 99.83 0.02 0.00 0.00 0.00 33 K H H 103.04 5.26 25.18 30.62 91.87 49.69 -64.88 -41.47 0.15 0.00 99.85 0.01 0.01 0.08 99.89 0.02 0.00 0.00 0.00 34 R H H 68.77 13.19 22.29 35.12 91.93 49.36 -64.63 -42.03 0.22 0.00 99.78 0.02 0.01 0.11 99.83 0.02 0.00 0.00 0.00 35 I H H 16.34 20.12 18.62 38.49 91.79 49.89 -64.12 -42.22 0.21 0.00 99.79 0.02 0.01 0.12 99.81 0.03 0.00 0.00 0.00 36 A H H 48.63 6.16 22.79 29.26 91.51 51.34 -63.40 -41.14 0.31 0.00 99.69 0.02 0.01 0.20 99.73 0.04 0.00 0.00 0.00 37 D H H 69.97 4.57 23.17 27.74 91.80 49.74 -65.31 -40.08 0.73 0.00 99.27 0.05 0.03 0.51 99.36 0.06 0.00 0.00 0.00 38 L H H 16.89 17.98 17.13 35.39 92.05 51.11 -64.98 -41.24 0.59 0.00 99.41 0.05 0.03 0.39 99.45 0.09 0.00 0.00 0.00 39 T H H 41.52 11.44 18.55 30.70 91.67 52.15 -63.43 -41.21 0.41 0.00 99.59 0.04 0.02 0.26 99.56 0.12 0.00 0.00 0.00 40 E H H 106.28 1.89 22.16 22.15 91.84 50.29 -64.30 -41.52 0.62 0.00 99.38 0.05 0.03 0.44 99.18 0.29 0.00 0.00 0.00 41 H H H 59.23 8.08 17.05 26.73 92.18 49.22 -65.77 -40.00 1.07 0.00 98.93 0.07 0.06 0.88 98.31 0.69 0.00 0.00 0.00 42 L H H 30.00 15.50 11.56 27.45 91.78 52.69 -65.97 -34.06 2.11 0.00 97.89 0.14 0.13 1.76 96.51 1.47 0.00 0.00 0.00 43 K H H 143.83 2.07 16.09 18.58 92.32 52.60 -67.69 -33.23 9.71 0.00 90.28 0.31 0.43 8.97 89.00 1.28 0.01 0.00 0.00 44 V H H 109.15 1.37 15.23 15.88 97.27 42.28 -81.08 -31.91 18.72 0.02 81.26 0.63 2.01 15.70 80.77 0.84 0.02 0.00 0.02 45 H C C 84.58 7.73 10.12 19.29 110.31 34.70 -120.18 82.13 89.21 0.28 10.50 56.71 19.21 12.22 10.26 1.19 0.00 0.07 0.34 46 K C T 147.78 3.11 13.13 18.04 98.97 -169.28 -64.03 -16.94 97.72 0.13 2.15 12.35 11.19 74.27 0.82 1.22 0.00 0.06 0.09 47 H C T 139.88 3.19 13.80 17.95 98.16 44.43 -86.63 35.17 97.86 0.13 2.00 9.01 15.28 73.64 0.60 1.32 0.00 0.06 0.08 48 D C C 52.03 9.60 10.52 21.78 107.82 137.95 -92.69 102.24 96.16 0.32 3.52 88.47 6.26 1.76 2.09 0.99 0.00 0.09 0.34 49 H H H 126.53 3.47 14.73 19.78 94.52 -173.26 -68.63 -30.37 32.35 0.15 67.49 11.84 5.60 15.32 59.76 7.30 0.01 0.06 0.11 50 H H H 116.76 2.91 17.38 20.29 92.55 57.95 -67.37 -35.55 22.92 0.10 76.98 5.68 3.08 13.88 70.53 6.72 0.02 0.04 0.06 51 S H H 21.70 13.18 13.43 27.72 92.30 53.64 -65.42 -38.30 12.26 0.09 87.65 5.59 1.65 4.82 81.96 5.90 0.00 0.04 0.04 52 R H H 107.10 9.69 17.61 27.70 91.96 53.76 -63.50 -40.70 4.17 0.03 95.80 1.79 0.66 1.76 94.17 1.60 0.00 0.01 0.01 53 R H H 141.34 1.91 22.04 22.49 91.75 50.75 -64.55 -41.72 1.22 0.00 98.77 0.30 0.14 0.63 98.53 0.39 0.00 0.00 0.00 54 G H H 21.08 8.47 18.87 28.66 91.83 50.60 -64.05 -41.87 0.96 0.00 99.04 0.20 0.09 0.53 98.89 0.28 0.00 0.00 0.00 55 L H H 23.85 18.26 16.04 34.15 92.01 50.47 -64.36 -41.57 0.43 0.00 99.57 0.08 0.03 0.24 99.50 0.16 0.00 0.00 0.00 56 L H H 88.69 5.13 21.62 27.15 91.55 50.99 -63.90 -40.94 0.23 0.00 99.77 0.03 0.01 0.13 99.73 0.08 0.00 0.00 0.00 57 L H H 89.33 3.09 22.61 24.62 91.83 49.68 -64.63 -41.54 0.31 0.00 99.69 0.03 0.02 0.20 99.67 0.08 0.00 0.00 0.00 58 L H H 25.86 15.22 18.21 33.96 91.74 49.45 -64.63 -42.18 0.43 0.00 99.57 0.04 0.02 0.29 99.56 0.08 0.00 0.00 0.00 59 V H H 33.00 14.17 18.73 33.30 91.59 50.23 -63.78 -42.15 0.37 0.00 99.63 0.04 0.02 0.24 99.63 0.07 0.00 0.00 0.00 60 G H H 33.37 2.90 22.28 24.51 91.34 51.01 -63.10 -42.15 0.74 0.00 99.26 0.06 0.03 0.52 99.30 0.08 0.00 0.00 0.00 61 R H H 101.00 6.84 21.57 28.76 91.69 49.38 -64.91 -41.10 0.50 0.00 99.50 0.05 0.02 0.33 99.53 0.07 0.00 0.00 0.00 62 R H H 40.62 18.38 17.16 34.97 91.93 50.92 -63.95 -41.52 0.20 0.00 99.80 0.02 0.01 0.12 99.81 0.04 0.00 0.00 0.00 63 R H H 116.49 6.91 21.26 28.79 91.50 51.68 -63.29 -40.86 0.13 0.00 99.87 0.01 0.00 0.08 99.87 0.04 0.00 0.00 0.00 64 R H H 127.40 2.52 23.49 24.85 91.61 50.42 -64.42 -41.55 0.17 0.00 99.83 0.01 0.00 0.12 99.80 0.06 0.00 0.00 0.00 65 L H H 23.78 15.77 19.00 35.18 91.69 50.03 -64.49 -42.44 0.23 0.00 99.77 0.01 0.01 0.16 99.71 0.10 0.00 0.00 0.00 66 I H H 26.97 16.98 17.84 34.86 91.55 51.33 -63.41 -41.18 0.38 0.00 99.62 0.03 0.02 0.28 99.45 0.23 0.00 0.00 0.00 67 K H H 118.32 2.41 23.20 24.61 91.49 51.11 -63.87 -40.89 1.40 0.00 98.60 0.07 0.05 1.18 97.87 0.83 0.00 0.00 0.00 68 Y H H 77.09 7.23 19.87 28.25 92.01 50.23 -64.63 -41.57 2.61 0.00 97.39 0.17 0.16 2.11 95.74 1.81 0.00 0.00 0.00 69 I H H 13.32 19.78 13.60 33.55 92.12 50.16 -65.73 -39.12 3.70 0.01 96.29 0.39 0.30 2.71 92.66 3.93 0.00 0.00 0.00 70 S H H 52.93 9.17 15.74 25.93 91.22 57.38 -66.46 -27.62 19.52 0.02 80.46 0.89 0.79 17.48 76.92 3.89 0.01 0.01 0.01 71 Q H H 135.05 1.39 18.57 18.86 93.38 52.20 -76.99 -19.24 37.79 0.03 62.18 1.40 2.09 33.65 59.82 2.99 0.01 0.01 0.03 72 I C S 70.71 10.13 12.75 23.67 105.58 54.70 -93.44 -26.71 66.99 0.33 32.68 8.66 38.11 17.14 34.54 1.16 0.01 0.06 0.31 73 D C C 77.21 5.05 16.79 22.72 109.69 -44.16 -105.42 104.70 98.26 0.23 1.51 96.38 1.20 0.80 1.30 0.11 0.00 0.06 0.16 74 V H H 67.75 11.45 11.72 24.05 94.20 -157.61 -62.78 -36.87 1.57 0.00 98.43 0.32 0.16 0.82 98.41 0.29 0.00 0.00 0.00 75 E H H 136.56 1.28 18.54 18.59 91.77 53.10 -63.72 -40.93 0.63 0.00 99.37 0.05 0.04 0.46 99.15 0.30 0.00 0.00 0.00 76 R H H 109.39 5.06 18.07 23.95 92.08 48.10 -65.88 -40.61 0.26 0.00 99.74 0.03 0.01 0.17 99.45 0.33 0.00 0.00 0.00 77 Y H H 20.04 19.57 13.33 32.93 91.79 50.84 -63.25 -42.99 0.11 0.00 99.89 0.01 0.01 0.07 99.81 0.11 0.00 0.00 0.00 78 R H H 109.12 6.91 19.76 27.44 91.33 51.04 -62.99 -41.38 0.12 0.00 99.88 0.01 0.00 0.07 99.88 0.03 0.00 0.00 0.00 79 S H H 53.08 2.40 21.49 22.80 91.53 50.48 -63.59 -42.30 0.21 0.00 99.79 0.01 0.01 0.15 99.79 0.04 0.00 0.00 0.00 80 L H H 20.90 14.23 17.28 32.74 91.80 49.85 -64.17 -43.05 0.22 0.00 99.78 0.02 0.01 0.14 99.78 0.06 0.00 0.00 0.00 81 I H H 19.67 17.42 14.61 32.51 91.88 49.99 -63.83 -42.88 0.33 0.00 99.67 0.04 0.02 0.20 99.62 0.13 0.00 0.00 0.00 82 E H H 129.79 1.95 18.68 20.38 91.83 49.34 -64.25 -40.88 0.81 0.00 99.19 0.06 0.03 0.59 98.96 0.34 0.00 0.00 0.00 83 R H H 146.04 2.92 17.26 20.68 91.65 50.90 -65.93 -34.64 3.98 0.00 96.02 0.12 0.14 3.65 95.67 0.41 0.00 0.00 0.00 84 L H H 40.47 15.13 12.25 27.71 93.94 47.99 -86.33 -7.21 43.74 0.03 56.23 0.61 1.56 40.73 56.14 0.92 0.01 0.01 0.03 85 G C T 50.21 2.68 19.27 21.86 97.04 -115.70 75.31 19.94 97.79 0.06 2.15 6.88 3.48 87.63 1.62 0.34 0.00 0.03 0.03 86 L C C 44.30 16.45 8.76 24.36 110.18 143.13 -88.48 114.09 94.98 0.87 4.15 78.16 8.84 8.17 2.10 1.77 0.00 0.43 0.54 87 R C C 152.21 3.58 13.96 19.13 116.22 -154.39 -97.45 137.56 95.04 1.92 3.04 88.54 1.82 5.28 1.42 1.00 0.00 0.94 0.99 88 R C C 155.33 5.36 13.52 20.71 110.14 -116.67 -78.45 128.18 99.96 0.03 0.01 99.91 0.05 0.02 0.00 0.00 0.00 0.01 0.00