# 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 129.38 3.41 10.77 15.74 112.84 -154.93 -91.39 124.01 99.77 0.19 0.04 99.69 0.12 0.05 0.02 0.00 0.00 0.09 0.03 1 V C C 96.00 4.07 7.99 13.90 116.08 -161.18 -96.40 137.28 87.16 5.69 7.14 84.27 1.17 2.22 6.08 0.94 0.00 3.23 2.09 2 D C C 99.44 2.17 9.59 13.02 110.60 -129.92 -88.62 119.26 78.59 7.54 13.87 68.28 5.27 4.05 12.40 2.39 0.00 4.76 2.85 3 A H H 75.31 3.57 8.49 13.85 95.34 -153.30 -67.64 -25.69 34.21 1.74 64.05 15.93 5.54 12.35 40.54 23.93 0.05 1.09 0.56 4 T H H 94.73 1.76 10.63 13.19 94.55 62.20 -68.85 -33.82 30.18 1.43 68.40 10.42 5.23 13.82 42.69 26.39 0.09 0.89 0.48 5 Q H H 117.80 1.96 10.89 13.70 95.10 56.55 -71.59 -26.81 29.18 1.55 69.27 12.00 5.86 11.12 42.55 26.99 0.07 0.91 0.51 6 L H H 95.44 3.88 9.73 15.29 97.93 60.72 -76.12 -23.33 43.45 2.14 54.42 25.07 9.79 10.58 41.86 10.64 0.05 1.08 0.92 7 E H H 119.49 2.73 11.70 15.60 97.27 65.56 -70.42 -29.39 43.95 1.79 54.25 26.10 8.11 11.78 47.48 4.83 0.04 0.85 0.81 8 G H H 45.05 3.00 12.54 16.45 96.96 46.21 -59.94 -37.01 38.64 0.98 60.38 14.94 8.99 17.16 50.41 7.42 0.11 0.47 0.49 9 A H H 67.85 2.72 12.40 16.03 95.05 56.35 -69.13 -36.25 28.39 0.80 70.81 10.26 5.89 13.98 59.30 9.60 0.16 0.43 0.39 10 Y H H 135.69 2.95 12.62 16.46 95.98 50.96 -71.62 -33.81 25.69 0.97 73.34 9.58 5.23 12.73 60.21 11.06 0.19 0.52 0.47 11 A H H 59.05 3.55 12.06 17.02 94.15 57.80 -66.92 -38.21 18.45 0.47 81.08 6.37 3.33 9.36 66.06 14.32 0.10 0.26 0.20 12 A H H 66.51 2.76 12.54 16.24 94.02 53.25 -68.18 -34.26 15.49 0.20 84.30 2.48 1.76 9.57 58.08 27.85 0.06 0.11 0.09 13 A H H 70.14 2.55 12.61 15.97 94.14 56.50 -70.45 -26.90 27.54 0.17 72.29 1.75 2.06 20.54 44.35 31.02 0.07 0.09 0.11 14 W H H 152.31 3.13 12.14 16.34 96.69 49.88 -83.81 -17.67 36.38 0.19 63.44 2.92 2.96 27.59 37.01 29.23 0.06 0.09 0.15 15 L H H 87.31 3.95 11.22 16.94 93.62 74.56 -64.71 -40.97 19.10 0.24 80.66 7.15 3.72 8.33 62.06 18.48 0.04 0.12 0.11 16 P H H 79.55 3.14 12.01 16.41 92.67 53.39 -65.96 -34.88 7.17 0.07 92.76 1.25 0.64 4.31 66.69 27.04 0.01 0.05 0.01 17 W H H 171.98 1.76 12.75 14.81 93.17 52.37 -69.55 -34.26 3.30 0.03 96.67 0.33 0.24 2.31 68.66 28.42 0.00 0.02 0.00 18 I H H 106.72 2.22 12.65 15.44 95.20 47.88 -72.55 -35.68 9.41 0.06 90.53 0.54 0.63 7.29 65.54 25.94 0.02 0.03 0.02 19 M H H 99.27 3.58 12.15 17.01 95.42 48.42 -77.31 -26.68 26.38 0.14 73.48 1.24 1.67 22.23 58.77 15.81 0.11 0.06 0.11 20 I H H 87.85 3.47 11.97 16.98 92.23 66.25 -62.48 -42.57 8.32 0.08 91.60 1.82 1.35 4.87 81.63 10.23 0.02 0.04 0.03 21 P H H 76.61 2.34 13.68 16.55 92.12 50.20 -65.00 -38.82 6.20 0.07 93.73 0.85 0.51 4.26 82.74 11.55 0.01 0.04 0.02 22 M H H 106.37 1.93 13.71 15.72 92.77 49.54 -67.31 -38.82 3.85 0.08 96.07 0.55 0.37 2.61 85.31 11.08 0.01 0.06 0.01 23 I H H 91.86 2.85 12.50 16.35 93.00 49.53 -66.58 -39.80 4.40 0.19 95.41 0.97 0.65 2.82 87.81 7.53 0.04 0.13 0.05 24 T H H 80.00 2.72 12.17 15.83 93.35 47.92 -67.88 -35.82 16.21 0.23 83.56 1.29 1.18 13.37 73.46 10.32 0.12 0.15 0.11 25 Y H H 156.45 1.39 13.06 14.23 94.83 44.90 -74.51 -34.63 26.64 0.21 73.14 1.18 1.85 23.47 65.30 7.75 0.20 0.11 0.14 26 I H H 109.68 1.67 13.08 14.68 98.53 43.00 -81.56 -35.96 30.76 0.65 68.58 2.71 4.89 24.02 62.74 4.41 0.51 0.28 0.44 27 L C H 90.41 3.16 12.26 16.51 96.33 54.81 -71.03 -35.95 57.54 1.45 41.01 12.05 16.57 29.33 37.19 3.36 0.17 0.58 0.76 28 P H H 72.46 3.24 12.33 16.83 94.20 57.24 -66.45 -35.85 36.23 0.47 63.30 14.30 4.83 17.64 59.78 2.95 0.05 0.20 0.25 29 F H H 126.32 1.85 13.86 15.78 92.77 53.29 -65.34 -40.62 3.82 0.04 96.14 1.39 0.67 1.68 95.49 0.73 0.00 0.02 0.01 30 P H H 80.23 1.86 14.39 16.09 92.46 49.76 -65.37 -40.73 1.33 0.02 98.64 0.48 0.14 0.63 98.31 0.41 0.00 0.01 0.00 31 I H H 93.05 2.33 13.89 16.71 92.35 49.25 -65.06 -41.67 0.45 0.01 99.55 0.12 0.04 0.24 99.37 0.22 0.00 0.00 0.00 32 F H H 116.64 2.29 14.13 16.93 92.14 49.88 -64.85 -41.19 0.24 0.00 99.76 0.05 0.02 0.13 99.71 0.10 0.00 0.00 0.00 33 A H H 58.68 2.01 14.24 16.42 91.66 50.93 -63.56 -41.93 0.23 0.00 99.76 0.03 0.01 0.14 99.75 0.06 0.00 0.00 0.00 34 I H H 98.19 1.76 14.83 16.29 91.80 49.50 -64.81 -41.56 0.22 0.00 99.78 0.02 0.01 0.15 99.77 0.04 0.00 0.00 0.00 35 A H H 58.70 2.29 14.29 17.03 91.53 50.75 -63.77 -41.80 0.21 0.00 99.79 0.02 0.01 0.14 99.79 0.04 0.00 0.00 0.00 36 F H H 115.79 2.07 14.21 16.52 91.80 50.45 -64.33 -41.35 0.29 0.00 99.71 0.03 0.01 0.20 99.70 0.05 0.00 0.00 0.00 37 L H H 91.98 1.92 14.41 16.28 91.70 50.31 -64.21 -41.67 0.32 0.00 99.68 0.04 0.01 0.22 99.65 0.07 0.00 0.00 0.00 38 W H H 141.11 1.89 13.91 15.85 91.91 49.62 -64.77 -41.68 0.61 0.00 99.38 0.08 0.04 0.43 99.31 0.14 0.00 0.00 0.00 39 I H H 94.68 2.13 12.90 15.58 92.05 49.03 -65.51 -41.18 1.32 0.02 98.66 0.24 0.11 0.87 98.51 0.25 0.00 0.02 0.00 40 E H H 115.12 1.95 12.57 15.01 92.29 50.22 -65.90 -39.08 3.95 0.06 95.98 0.81 0.40 2.56 95.62 0.55 0.01 0.04 0.02 41 R H H 155.27 1.49 12.48 14.02 93.47 49.93 -67.92 -36.87 11.72 0.14 88.14 2.07 1.32 8.11 87.33 1.01 0.03 0.06 0.06 42 E H H 130.13 1.82 11.65 14.02 95.50 51.31 -74.06 -27.69 25.81 0.39 73.80 6.43 4.46 15.50 71.79 1.40 0.05 0.15 0.22 43 G C H 50.14 2.66 11.30 15.07 99.16 52.06 -73.13 -17.52 59.21 0.86 39.93 20.95 13.36 24.93 37.34 2.59 0.03 0.32 0.47 44 G C C 51.07 3.12 10.82 15.27 104.80 37.50 7.47 -1.96 72.11 0.96 26.94 31.76 13.44 27.52 21.49 4.84 0.01 0.41 0.55 45 E C C 140.33 2.12 10.28 13.68 106.23 102.58 -84.66 71.70 68.47 1.01 30.52 30.53 15.68 23.24 22.81 6.67 0.02 0.41 0.64 46 G C C 51.90 2.87 11.40 15.40 105.58 22.74 62.94 -11.13 66.98 0.76 32.26 25.32 17.26 25.24 23.43 7.93 0.02 0.32 0.49 47 G C C 48.24 3.75 10.96 16.04 105.91 34.20 -50.77 -19.25 58.65 1.07 40.28 31.13 12.23 16.19 30.54 8.79 0.02 0.48 0.60 48 L C H 110.55 3.62 9.82 15.03 104.97 76.93 -81.22 36.23 50.06 1.39 48.56 29.29 10.23 11.43 40.20 7.50 0.02 0.69 0.63 49 D H H 105.43 2.41 11.24 14.76 102.50 66.35 -85.87 20.29 48.19 1.81 50.00 32.17 7.79 8.93 43.23 6.21 0.01 1.01 0.65 50 I H H 109.19 3.98 9.85 15.44 108.24 107.65 -87.96 92.01 39.00 2.06 58.95 26.54 7.75 6.06 53.01 4.81 0.02 1.19 0.61 51 D H H 105.06 2.48 11.07 14.82 107.25 56.63 -86.81 105.83 40.81 2.66 56.53 30.03 5.75 5.82 51.78 4.18 0.01 1.78 0.66 52 V H H 96.91 3.84 9.91 15.31 104.85 122.36 -83.74 28.72 39.17 3.30 57.52 27.74 5.82 6.64 52.83 3.91 0.02 2.17 0.87 53 M H H 124.65 2.84 10.71 14.90 103.15 57.70 -80.55 -5.57 41.66 2.46 55.88 26.05 7.30 9.05 52.18 3.20 0.03 1.39 0.80 54 G H H 47.79 3.08 11.33 15.57 103.29 44.41 -46.71 -27.44 44.78 0.98 54.24 24.26 11.16 9.96 50.56 3.21 0.02 0.46 0.38 55 S H H 74.16 2.64 11.14 14.93 98.93 64.82 -72.91 -29.60 29.94 0.81 69.24 15.98 7.19 8.73 62.45 4.91 0.03 0.41 0.30 56 N H H 110.97 2.10 11.32 14.28 98.82 55.00 -74.24 -24.01 28.51 1.10 70.39 17.16 5.04 8.15 63.30 5.34 0.02 0.64 0.36 57 A H H 69.47 3.43 10.03 15.01 97.51 67.87 -70.82 -28.83 25.49 1.34 73.17 16.30 4.33 6.75 65.89 5.47 0.03 0.83 0.40 58 M H H 122.56 2.66 10.60 14.51 98.43 59.03 -77.18 -17.02 28.61 1.55 69.84 18.24 5.04 7.38 63.31 4.61 0.03 0.91 0.49 59 S H H 78.72 2.37 10.44 13.91 101.54 67.22 -79.49 -5.29 33.50 1.43 65.07 19.78 6.13 9.31 59.33 4.15 0.03 0.78 0.49 60 N H H 118.67 2.02 9.87 13.05 103.56 59.77 -85.50 17.24 37.58 1.50 60.91 21.97 7.90 9.52 54.96 4.31 0.03 0.79 0.52 61 E H H 130.51 2.66 9.48 13.75 108.25 109.61 -83.93 105.31 38.34 2.31 59.35 25.77 6.24 7.88 53.65 4.40 0.02 1.34 0.71 62 A H H 78.45 2.85 9.40 13.78 108.87 -118.85 -82.05 116.03 41.95 2.78 55.27 27.84 6.14 9.35 49.53 4.58 0.03 1.68 0.85 63 M H H 132.04 2.69 8.78 13.09 108.94 -141.45 -86.62 105.10 47.65 2.93 49.42 24.45 8.43 16.28 42.99 5.06 0.07 1.68 1.03 64 G C H 53.12 2.55 9.40 13.42 107.14 9.89 -28.13 17.05 60.96 2.52 36.52 30.21 10.65 21.03 30.78 4.98 0.04 1.35 0.96 65 R C C 168.03 2.13 8.74 12.24 108.30 71.32 -85.20 105.60 59.83 3.83 36.33 35.54 12.72 12.41 29.44 6.34 0.04 2.18 1.32 66 D C C 109.14 2.15 8.19 11.89 109.21 -119.14 -86.80 108.26 61.59 5.49 32.92 39.49 10.12 12.27 25.88 7.03 0.03 3.46 1.73 67 I C C 134.70 1.93 6.88 10.43 102.96 -143.79 -83.72 -5.73 60.30 7.04 32.66 33.95 10.78 16.71 25.06 6.78 0.08 4.42 2.22 68 S C C 93.30 1.15 7.48 9.62 103.61 69.57 -87.85 19.11 72.96 3.70 23.34 53.24 2.63 17.36 19.29 3.72 0.00 2.35 1.41 69 S C C 85.44 2.22 9.68 13.37 108.05 84.23 -89.60 93.09 99.80 0.09 0.11 99.49 0.18 0.19 0.07 0.01 0.00 0.05 0.01