# 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 104.67 7.65 14.18 22.88 115.24 -157.26 -93.64 135.19 99.96 0.03 0.01 99.91 0.04 0.03 0.00 0.00 0.00 0.01 0.00 1 S C C 75.49 4.84 14.27 20.70 117.42 -140.23 -92.65 139.15 95.98 2.72 1.30 93.38 1.16 1.83 0.77 0.29 0.00 1.23 1.33 2 L C C 43.03 17.72 8.94 25.42 116.78 -124.77 -90.71 135.14 96.69 1.72 1.59 79.46 15.47 1.66 1.22 0.37 0.00 0.66 1.16 3 S C C 57.60 3.21 17.47 20.80 119.38 -123.37 -77.92 161.35 97.78 0.58 1.63 93.89 3.35 0.59 1.49 0.16 0.00 0.20 0.32 4 T H H 92.49 5.46 12.84 20.04 92.65 -109.14 -60.82 -37.50 4.59 0.02 95.39 1.56 1.14 1.72 95.20 0.36 0.00 0.01 0.01 5 E H H 134.04 1.33 17.63 17.89 92.22 52.75 -64.79 -40.27 1.95 0.01 98.05 0.42 0.27 1.05 97.94 0.31 0.00 0.00 0.00 6 A H H 28.54 9.52 15.35 26.67 91.97 49.03 -65.19 -40.86 0.94 0.00 99.06 0.28 0.10 0.47 98.83 0.31 0.00 0.00 0.00 7 T H H 25.66 17.40 14.55 31.78 91.63 51.41 -63.49 -42.41 0.42 0.00 99.57 0.11 0.04 0.20 99.55 0.10 0.00 0.00 0.00 8 A H H 49.31 5.76 20.07 26.52 91.63 51.39 -63.70 -40.79 0.33 0.00 99.67 0.05 0.02 0.17 99.70 0.06 0.00 0.00 0.00 9 K H H 116.70 2.43 23.25 24.56 91.83 49.81 -64.67 -41.21 0.44 0.00 99.56 0.06 0.02 0.26 99.60 0.07 0.00 0.00 0.00 10 I H H 14.24 17.56 17.46 35.58 92.19 49.70 -64.14 -43.59 0.53 0.00 99.46 0.07 0.04 0.31 99.48 0.09 0.00 0.00 0.00 11 V H H 22.98 18.42 16.38 34.59 91.76 49.00 -64.25 -41.06 0.51 0.00 99.49 0.07 0.04 0.31 99.36 0.21 0.00 0.00 0.00 12 S H H 72.10 2.95 20.62 23.53 92.06 52.22 -65.51 -37.23 1.76 0.00 98.23 0.13 0.09 1.42 97.03 1.33 0.00 0.00 0.00 13 E H H 118.21 3.67 20.77 24.63 93.77 48.65 -71.61 -34.50 5.20 0.00 94.80 0.18 0.24 4.81 93.59 1.18 0.00 0.00 0.00 14 F H H 49.57 16.43 15.27 31.33 101.50 30.34 -105.11 -9.90 15.60 0.04 84.36 1.05 2.09 12.45 83.37 0.98 0.03 0.01 0.03 15 G C C 18.86 14.95 13.79 28.71 118.33 107.86 -85.92 146.73 95.33 0.44 4.22 58.12 11.80 25.74 2.51 1.30 0.00 0.16 0.38 16 R C C 145.43 6.43 16.25 23.81 101.32 -149.98 -87.75 -17.84 95.49 1.61 2.90 54.26 35.16 5.83 1.08 1.56 0.00 0.49 1.62 17 D C C 78.55 2.91 18.91 21.57 134.14 1.34 -137.33 166.61 95.86 2.53 1.61 60.60 31.44 2.77 0.42 1.18 0.00 0.61 2.98 18 A C T 81.44 5.75 12.77 20.20 91.50 -95.58 -62.34 -25.76 98.73 0.14 1.13 0.72 6.38 91.68 0.07 1.00 0.00 0.08 0.07 19 N C T 127.16 1.40 16.20 17.30 95.10 52.89 -90.58 3.28 99.28 0.12 0.60 1.75 5.25 92.22 0.04 0.62 0.00 0.07 0.04 20 D C C 37.18 15.04 10.34 25.71 107.10 116.96 -78.45 106.66 97.96 1.82 0.23 90.22 6.90 0.47 0.06 0.14 0.00 0.51 1.69 21 T C C 84.14 6.65 17.98 25.56 98.87 170.53 -95.40 -3.03 98.97 0.63 0.40 51.30 9.15 38.55 0.10 0.26 0.00 0.30 0.34 22 G C T 34.57 11.39 17.84 29.03 96.89 55.35 -76.14 1.37 99.01 0.56 0.42 19.64 35.59 43.86 0.10 0.30 0.00 0.26 0.24 23 S C C 37.16 9.15 19.78 30.14 117.36 125.26 -76.37 144.31 98.95 0.52 0.52 82.85 15.64 0.25 0.47 0.07 0.00 0.09 0.62 24 T H H 46.63 16.04 18.07 33.82 92.51 -127.21 -61.07 -36.73 1.65 0.00 98.35 0.22 0.30 0.90 98.44 0.13 0.00 0.00 0.00 25 E H H 89.14 10.82 22.60 33.26 91.80 55.66 -63.59 -40.55 0.53 0.00 99.47 0.05 0.04 0.35 99.46 0.10 0.00 0.00 0.00 26 V H H 23.40 15.16 21.54 36.89 92.15 48.92 -65.73 -42.35 0.09 0.00 99.91 0.01 0.01 0.05 99.88 0.06 0.00 0.00 0.00 27 Q H H 38.15 17.34 23.52 39.79 91.67 50.61 -63.65 -43.06 0.04 0.00 99.96 0.00 0.00 0.02 99.95 0.02 0.00 0.00 0.00 28 V H H 16.84 18.96 23.41 41.77 91.39 49.91 -63.42 -43.35 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 26.79 11.95 25.66 38.13 91.75 50.36 -64.28 -42.00 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 30 L H H 38.62 14.40 25.42 39.56 91.67 49.59 -64.28 -42.53 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 31 L H H 16.36 20.57 23.40 43.16 91.72 49.64 -64.39 -42.51 0.09 0.00 99.91 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 32 T H H 34.38 14.34 23.97 37.98 91.93 50.68 -63.96 -41.90 0.12 0.00 99.88 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 33 A H H 31.01 8.29 24.28 33.54 91.57 50.51 -64.09 -42.13 0.10 0.00 99.90 0.00 0.00 0.06 99.93 0.01 0.00 0.00 0.00 34 Q H H 48.30 13.49 23.13 36.34 91.81 49.93 -64.54 -41.91 0.19 0.00 99.81 0.01 0.00 0.11 99.85 0.02 0.00 0.00 0.00 35 I H H 15.37 19.98 18.98 38.77 91.85 50.37 -63.74 -42.32 0.22 0.00 99.78 0.01 0.01 0.15 99.79 0.04 0.00 0.00 0.00 36 N H H 83.19 5.65 23.64 29.58 91.66 51.20 -64.04 -40.27 0.68 0.00 99.32 0.03 0.02 0.53 99.29 0.13 0.00 0.00 0.00 37 H H H 95.95 5.02 22.88 27.98 92.01 49.54 -65.64 -40.70 2.80 0.00 97.20 0.08 0.08 2.45 97.08 0.30 0.00 0.00 0.00 38 L H H 17.71 18.43 16.79 35.26 92.22 50.30 -65.81 -40.05 2.42 0.00 97.58 0.15 0.13 1.89 97.43 0.39 0.00 0.00 0.00 39 Q H H 70.04 11.70 18.59 30.42 91.74 54.16 -62.57 -41.42 1.09 0.00 98.91 0.12 0.08 0.73 98.68 0.39 0.00 0.00 0.00 40 G H H 36.99 2.12 21.36 22.08 91.64 50.76 -63.70 -41.58 1.83 0.00 98.17 0.16 0.10 1.38 97.63 0.72 0.00 0.00 0.00 41 H H H 55.87 8.36 17.01 27.00 92.21 49.60 -65.73 -40.54 1.79 0.00 98.21 0.18 0.14 1.35 97.29 1.04 0.00 0.00 0.00 42 F H H 38.83 15.40 11.84 27.59 91.95 51.82 -65.31 -38.82 1.87 0.00 98.13 0.22 0.19 1.36 96.86 1.38 0.00 0.00 0.00 43 A H H 76.97 2.12 15.90 18.28 91.83 52.55 -66.53 -34.26 6.54 0.00 93.45 0.35 0.40 5.63 92.29 1.32 0.01 0.00 0.00 44 E H H 140.09 1.20 15.61 15.87 94.44 46.07 -77.12 -29.71 16.45 0.01 83.54 0.51 1.38 14.39 82.71 0.98 0.02 0.00 0.01 45 H C C 82.02 8.04 10.11 19.60 108.69 32.88 -121.89 71.72 78.17 0.25 21.58 34.59 14.65 28.03 20.67 1.73 0.00 0.06 0.26 46 K C T 140.85 3.86 12.23 18.15 97.99 150.39 -63.54 -23.06 95.72 0.16 4.12 13.87 8.45 73.63 1.64 2.21 0.00 0.07 0.13 47 K C T 160.12 1.63 14.41 16.19 96.26 42.48 -83.34 9.68 96.19 0.13 3.68 9.13 14.97 72.20 1.23 2.31 0.00 0.06 0.10 48 D C C 52.96 9.44 9.91 20.95 107.27 116.15 -96.22 103.23 95.20 0.27 4.54 86.31 6.89 2.40 2.61 1.40 0.00 0.08 0.29 49 H H H 126.98 3.27 14.34 19.18 94.44 -173.53 -67.37 -31.82 27.77 0.13 72.09 10.37 5.13 12.88 65.33 6.14 0.01 0.05 0.09 50 H H H 120.92 2.49 17.14 19.54 92.49 56.07 -66.09 -38.72 17.96 0.06 81.97 3.62 2.39 11.63 76.27 6.01 0.02 0.03 0.04 51 S H H 24.16 12.13 13.69 27.10 92.14 51.95 -65.74 -39.14 9.88 0.06 90.06 3.53 1.34 4.76 84.64 5.66 0.00 0.03 0.03 52 R H H 102.05 9.92 17.19 27.54 91.90 52.72 -63.75 -40.66 4.23 0.03 95.74 1.71 0.64 1.84 93.92 1.87 0.00 0.01 0.01 53 R H H 133.71 2.08 22.15 22.84 91.82 50.58 -64.32 -41.71 1.27 0.00 98.73 0.31 0.15 0.65 98.48 0.41 0.00 0.00 0.00 54 G H H 19.71 7.92 18.91 28.40 91.80 50.96 -63.54 -42.11 0.97 0.00 99.03 0.20 0.09 0.54 98.89 0.29 0.00 0.00 0.00 55 L H H 24.93 17.48 16.27 33.83 92.07 50.43 -64.10 -41.72 0.46 0.00 99.54 0.08 0.03 0.25 99.47 0.17 0.00 0.00 0.00 56 L H H 85.92 5.35 21.54 27.20 91.55 50.87 -63.82 -41.00 0.26 0.00 99.74 0.03 0.01 0.14 99.73 0.08 0.00 0.00 0.00 57 R H H 136.23 2.35 22.88 24.08 91.78 49.68 -64.73 -41.25 0.30 0.00 99.70 0.03 0.02 0.18 99.71 0.06 0.00 0.00 0.00 58 M H H 32.07 14.84 18.28 33.56 91.77 49.60 -64.78 -42.13 0.32 0.00 99.68 0.04 0.02 0.20 99.69 0.06 0.00 0.00 0.00 59 V H H 31.76 14.44 18.66 33.48 91.59 50.08 -63.73 -42.26 0.24 0.00 99.76 0.03 0.01 0.14 99.77 0.05 0.00 0.00 0.00 60 S H H 54.61 2.60 22.86 24.32 91.35 50.34 -63.50 -41.80 0.39 0.00 99.61 0.04 0.02 0.24 99.64 0.06 0.00 0.00 0.00 61 Q H H 73.85 6.57 21.63 28.73 91.65 49.58 -64.75 -41.47 0.40 0.00 99.60 0.04 0.02 0.26 99.63 0.05 0.00 0.00 0.00 62 R H H 34.94 19.20 16.91 35.56 91.65 51.27 -63.67 -41.60 0.21 0.00 99.79 0.02 0.01 0.13 99.81 0.04 0.00 0.00 0.00 63 R H H 115.43 7.61 21.39 29.56 91.40 51.59 -63.06 -40.99 0.12 0.00 99.88 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 64 K H H 118.53 2.10 24.25 24.82 91.58 50.03 -64.28 -41.82 0.15 0.00 99.85 0.01 0.00 0.10 99.84 0.04 0.00 0.00 0.00 65 L H H 23.01 15.39 19.74 35.59 91.74 49.62 -64.36 -42.48 0.19 0.00 99.81 0.01 0.01 0.13 99.79 0.06 0.00 0.00 0.00 66 L H H 16.92 18.65 17.75 36.53 91.55 50.95 -63.01 -41.76 0.27 0.00 99.73 0.02 0.01 0.18 99.66 0.12 0.00 0.00 0.00 67 D H H 75.99 3.06 23.46 25.69 91.45 50.90 -63.69 -41.12 0.89 0.00 99.11 0.06 0.04 0.67 98.79 0.43 0.00 0.00 0.00 68 Y H H 79.91 5.72 20.59 27.34 91.71 50.14 -64.12 -41.80 1.82 0.00 98.18 0.11 0.10 1.49 97.28 1.02 0.00 0.00 0.00 69 L H H 11.15 18.60 13.88 33.18 91.87 50.15 -65.12 -40.38 3.72 0.01 96.27 0.36 0.31 2.78 94.59 1.96 0.00 0.00 0.00 70 K H H 93.78 10.19 15.60 26.44 91.51 54.42 -64.28 -34.77 16.75 0.03 83.22 1.20 0.94 14.29 80.90 2.63 0.01 0.01 0.02 71 R H H 171.39 1.34 17.55 18.01 92.58 52.39 -71.03 -28.19 32.47 0.05 67.47 1.76 2.42 27.65 65.95 2.14 0.02 0.02 0.04 72 K C H 119.72 4.37 15.01 20.37 100.88 38.71 -91.83 -28.12 55.16 0.22 44.62 5.25 19.85 28.21 44.94 1.46 0.03 0.05 0.19 73 D C C 67.54 7.18 14.50 23.03 114.47 8.57 -136.72 93.00 96.55 0.31 3.14 89.68 2.98 3.64 2.99 0.35 0.00 0.09 0.26 74 V H H 73.78 9.95 12.23 23.49 94.00 -169.86 -63.35 -36.23 2.51 0.00 97.48 0.72 0.30 1.19 97.34 0.45 0.00 0.00 0.00 75 A H H 74.54 1.44 19.37 19.26 91.69 53.60 -63.80 -41.36 1.16 0.00 98.84 0.09 0.08 0.87 98.46 0.50 0.00 0.00 0.00 76 R H H 90.81 7.23 18.30 26.55 91.94 48.66 -65.90 -40.52 0.52 0.00 99.48 0.06 0.03 0.34 99.06 0.51 0.00 0.00 0.00 77 Y H H 13.79 21.32 13.46 34.79 91.72 51.32 -63.66 -42.99 0.20 0.00 99.80 0.03 0.01 0.10 99.75 0.11 0.00 0.00 0.00 78 T H H 60.48 6.69 20.39 27.84 91.39 51.04 -63.13 -41.61 0.16 0.00 99.84 0.02 0.00 0.09 99.86 0.03 0.00 0.00 0.00 79 R H H 126.87 2.00 23.01 23.23 91.62 50.05 -64.08 -41.98 0.16 0.00 99.83 0.01 0.01 0.10 99.85 0.03 0.00 0.00 0.00 80 L H H 14.57 16.34 17.48 34.75 91.89 49.53 -64.18 -43.32 0.17 0.00 99.83 0.01 0.01 0.10 99.84 0.04 0.00 0.00 0.00 81 I H H 17.04 18.52 15.20 34.01 91.90 49.67 -63.35 -42.84 0.27 0.00 99.73 0.03 0.01 0.16 99.70 0.09 0.00 0.00 0.00 82 E H H 129.27 2.00 19.27 20.97 91.75 49.36 -64.17 -40.91 0.74 0.00 99.26 0.05 0.03 0.55 99.08 0.29 0.00 0.00 0.00 83 R H H 141.89 3.40 17.78 21.92 91.58 50.91 -65.98 -34.63 4.10 0.00 95.90 0.11 0.13 3.84 95.53 0.38 0.00 0.00 0.00 84 L H H 32.20 16.86 12.47 29.44 93.55 47.96 -86.59 -7.21 45.93 0.03 54.04 0.54 1.42 43.26 53.84 0.90 0.01 0.00 0.03 85 G C T 49.98 2.64 20.45 22.80 96.82 -114.84 76.14 20.35 98.27 0.05 1.68 5.78 3.04 89.66 1.23 0.26 0.00 0.02 0.02 86 L C C 37.31 17.87 9.05 25.84 110.63 141.27 -89.50 115.25 95.42 0.84 3.74 79.52 8.23 7.89 1.87 1.57 0.00 0.40 0.53 87 R C C 149.67 3.83 14.73 20.12 116.60 -156.06 -98.92 139.48 95.15 1.88 2.98 88.00 1.96 5.78 1.34 0.99 0.00 0.90 1.02 88 R C C 152.22 5.90 14.02 21.65 109.83 -115.64 -77.65 129.11 99.96 0.03 0.01 99.91 0.05 0.02 0.00 0.00 0.00 0.01 0.00