# 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 116.50 5.21 10.31 17.12 114.88 -151.49 -92.52 140.40 99.76 0.19 0.05 99.52 0.21 0.11 0.02 0.01 0.00 0.09 0.04 1 A C C 83.42 2.60 8.86 13.21 112.17 -116.77 -81.96 139.01 96.12 2.60 1.28 89.89 2.92 3.39 0.54 0.51 0.00 1.20 1.56 2 K C C 153.00 1.79 9.15 12.44 115.64 -106.78 -90.80 134.82 95.23 3.12 1.64 64.02 27.78 3.50 0.61 0.93 0.00 1.42 1.74 3 P C C 99.13 3.38 8.52 13.84 112.24 -107.81 -69.15 145.34 91.35 2.70 5.95 59.71 15.21 16.38 1.45 4.49 0.00 1.48 1.28 4 L C C 120.02 3.20 8.24 13.20 107.30 -124.83 -86.04 80.63 88.09 4.30 7.61 49.57 20.02 18.52 2.02 5.41 0.00 1.86 2.59 5 G C C 49.58 2.79 10.48 14.65 114.73 -115.30 87.95 -172.67 85.26 3.00 11.74 46.13 20.89 18.32 2.64 8.99 0.00 1.41 1.62 6 T C C 107.66 2.25 9.56 13.19 101.27 -61.17 -80.57 -3.14 80.96 2.75 16.29 32.10 19.95 29.88 3.44 11.89 0.01 1.27 1.46 7 T C T 98.57 2.62 9.94 14.00 104.06 69.05 -89.97 13.59 81.18 3.16 15.65 26.60 21.23 34.44 4.08 10.38 0.02 1.49 1.75 8 G C C 44.23 4.35 10.93 16.79 108.82 -97.32 50.99 6.51 83.52 3.01 13.48 34.83 28.39 21.22 4.89 7.50 0.01 1.24 1.92 9 E C C 97.15 4.57 10.81 17.09 110.27 99.63 -86.76 117.30 81.25 1.62 17.13 60.63 15.17 4.83 15.12 2.54 0.00 0.58 1.13 10 F H H 123.84 4.08 11.34 17.10 93.87 -153.93 -65.08 -31.42 43.65 0.59 55.75 11.90 6.23 26.21 49.03 5.91 0.09 0.29 0.34 11 F H H 122.00 3.10 12.41 16.49 93.73 56.32 -68.20 -33.23 30.47 0.43 69.10 7.72 3.88 19.78 61.72 6.35 0.09 0.22 0.24 12 R H H 123.68 3.19 13.33 17.56 92.92 54.68 -65.53 -39.96 11.04 0.23 88.73 4.80 1.96 5.02 80.54 7.44 0.02 0.14 0.08 13 R H H 121.12 3.85 13.57 18.63 92.86 51.01 -65.92 -39.93 7.98 0.20 91.82 3.27 1.32 3.92 84.16 7.12 0.02 0.14 0.06 14 R H H 117.13 3.91 13.75 18.84 92.56 51.12 -66.52 -38.52 6.66 0.14 93.20 2.35 1.06 3.51 85.73 7.21 0.02 0.09 0.04 15 D H H 72.43 3.40 13.88 18.38 92.60 52.06 -65.73 -38.54 7.61 0.15 92.24 2.32 1.09 4.26 82.85 9.30 0.02 0.10 0.05 16 E H H 93.61 3.34 13.49 18.03 92.51 53.87 -65.45 -39.02 10.70 0.14 89.16 1.96 1.25 7.08 76.28 13.25 0.05 0.08 0.06 17 W H H 133.36 4.44 12.18 18.16 93.18 52.49 -71.30 -29.37 19.81 0.32 79.87 3.83 2.50 12.85 65.00 15.38 0.11 0.17 0.16 18 R C H 136.63 4.14 11.90 17.49 94.67 60.27 -77.59 -18.45 49.72 1.38 48.90 14.00 7.86 28.65 37.13 10.75 0.16 0.62 0.82 19 K C C 140.92 2.38 12.03 15.30 98.46 60.10 -88.83 -2.88 71.68 2.09 26.23 29.91 13.58 29.54 17.41 7.35 0.04 0.85 1.33 20 H C C 102.16 5.05 8.83 15.85 115.41 101.57 -92.78 133.14 89.49 1.10 9.42 56.20 29.29 3.97 7.51 1.81 0.00 0.32 0.89 21 P C C 93.92 2.66 11.13 15.08 108.15 -112.75 -67.31 135.67 61.08 0.79 38.14 30.89 9.09 21.85 24.08 13.21 0.01 0.39 0.49 22 M C H 126.33 2.86 10.23 14.43 100.95 -104.67 -73.62 -20.68 52.09 1.34 46.57 23.07 8.91 20.99 29.86 15.71 0.05 0.67 0.74 23 L H H 99.54 4.03 9.76 15.29 101.96 62.68 -79.62 -14.86 46.32 2.18 51.50 25.00 9.24 12.96 34.55 16.06 0.06 1.13 0.99 24 S C H 59.51 4.46 10.96 16.98 104.28 69.44 -80.73 -15.75 52.47 1.22 46.31 34.78 8.09 10.40 37.88 7.68 0.01 0.58 0.58 25 N H H 93.84 3.87 11.74 16.92 97.37 62.38 -71.55 -24.99 44.50 0.85 54.65 27.37 8.47 10.48 46.44 6.43 0.02 0.38 0.41 26 Q H H 113.62 2.07 12.14 14.88 93.95 69.78 -66.78 -34.29 29.73 0.61 69.66 17.86 5.03 8.69 60.08 7.73 0.02 0.32 0.26 27 M H H 101.32 3.26 11.56 16.16 93.51 55.02 -67.78 -35.39 16.89 0.43 82.67 8.01 2.68 6.89 69.31 12.66 0.03 0.28 0.14 28 R H H 124.30 5.05 10.85 17.59 93.04 55.87 -66.74 -35.57 13.01 0.29 86.70 3.58 1.94 7.24 70.36 16.54 0.06 0.19 0.09 29 H H H 134.75 2.04 12.60 15.33 94.08 52.51 -72.56 -29.95 19.91 0.23 79.86 2.58 2.27 14.06 65.85 14.84 0.14 0.13 0.12 30 A H H 78.00 1.82 12.41 14.61 95.82 52.87 -75.65 -28.52 33.81 0.31 65.88 3.03 5.08 25.67 56.67 8.89 0.27 0.13 0.25 31 L C S 85.16 4.80 10.31 16.89 109.97 33.90 -122.44 81.34 92.44 1.46 6.10 36.85 51.54 3.76 5.24 0.98 0.00 0.34 1.29 32 P C T 86.12 3.89 12.37 17.90 107.34 -161.36 -64.40 131.25 75.64 0.48 23.87 8.32 4.95 61.80 19.92 4.43 0.02 0.22 0.32 33 G C T 45.21 4.20 14.58 19.82 97.12 27.95 75.09 -7.51 66.94 0.23 32.83 5.59 4.46 55.84 29.79 4.04 0.03 0.10 0.15 34 I H H 83.80 6.20 13.06 20.75 94.00 87.57 -68.68 -36.64 12.47 0.09 87.45 4.72 2.07 6.03 83.92 3.17 0.01 0.04 0.04 35 G H H 37.21 4.22 15.34 20.61 93.17 54.73 -63.65 -41.88 5.21 0.04 94.75 1.69 0.73 2.84 93.39 1.32 0.01 0.02 0.02 36 I H H 100.48 2.36 17.48 19.48 92.54 47.94 -65.91 -40.74 1.68 0.02 98.30 0.45 0.19 0.98 97.69 0.68 0.00 0.01 0.00 37 G H H 27.41 5.82 15.42 22.79 92.19 51.36 -64.14 -42.01 0.66 0.00 99.33 0.17 0.06 0.35 99.21 0.20 0.00 0.00 0.00 38 V H H 71.86 5.09 17.02 22.89 92.13 49.60 -64.71 -42.13 0.16 0.00 99.84 0.03 0.01 0.09 99.83 0.04 0.00 0.00 0.00 39 G H H 36.68 2.68 17.85 20.43 91.62 50.25 -63.69 -42.09 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 40 A H H 55.54 2.97 17.62 20.71 91.73 50.13 -64.44 -41.90 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 41 F H H 97.68 5.38 16.97 23.04 91.98 49.72 -64.67 -41.46 0.07 0.00 99.93 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 42 C H H 65.18 3.89 17.09 21.49 91.73 51.03 -63.74 -42.03 0.07 0.00 99.93 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 43 V H H 87.35 1.94 18.34 19.32 91.86 49.76 -64.23 -42.23 0.07 0.00 99.93 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 44 Y H H 116.43 3.55 17.18 21.22 92.02 49.49 -64.74 -42.00 0.11 0.00 99.89 0.00 0.00 0.08 99.89 0.01 0.00 0.00 0.00 45 L H H 74.62 5.37 16.02 22.29 91.94 48.86 -64.62 -42.14 0.26 0.00 99.74 0.01 0.01 0.21 99.74 0.03 0.00 0.00 0.00 46 V H H 80.81 2.33 17.09 19.10 91.66 49.51 -63.76 -42.10 0.60 0.00 99.40 0.04 0.03 0.47 99.38 0.07 0.00 0.00 0.00 47 G H H 37.01 2.16 16.46 18.33 91.52 50.15 -63.91 -41.79 0.77 0.00 99.22 0.07 0.04 0.57 99.18 0.13 0.00 0.00 0.00 48 E H H 91.66 3.97 15.19 20.18 92.12 49.83 -65.83 -40.49 0.89 0.00 99.11 0.08 0.05 0.68 98.99 0.19 0.00 0.00 0.00 49 Q H H 94.89 3.40 14.90 19.04 91.93 50.59 -65.06 -40.97 1.59 0.00 98.41 0.13 0.09 1.25 98.21 0.32 0.00 0.00 0.00 50 I H H 100.33 1.55 15.23 16.09 91.93 49.15 -64.82 -41.60 2.96 0.01 97.02 0.30 0.22 2.27 96.62 0.57 0.00 0.01 0.00 51 Y H H 129.76 1.96 14.14 16.17 92.47 47.88 -66.35 -40.35 4.73 0.04 95.23 0.71 0.53 3.41 94.13 1.17 0.01 0.02 0.01 52 S H H 53.77 4.14 11.68 17.57 92.59 52.35 -66.41 -37.80 8.40 0.07 91.54 1.64 1.00 5.74 88.48 3.06 0.02 0.04 0.03 53 K H H 133.39 2.19 12.36 15.41 92.50 53.43 -67.37 -32.53 12.46 0.09 87.45 1.76 1.36 9.18 81.76 5.81 0.04 0.05 0.04 54 L H H 121.54 1.44 12.27 13.76 94.48 54.15 -74.01 -26.10 21.63 0.17 78.19 3.09 2.84 15.98 73.25 4.58 0.08 0.08 0.10 55 M H H 127.63 2.32 11.22 14.48 101.69 44.92 -96.95 -0.53 45.53 0.89 53.58 12.77 11.56 23.99 47.04 3.61 0.12 0.31 0.61 56 A C C 57.51 5.69 8.07 15.68 115.60 114.07 -80.12 141.77 92.96 0.62 6.42 54.72 34.73 3.47 4.84 1.58 0.00 0.18 0.49 57 P C C 97.56 2.67 10.18 14.41 111.19 -108.54 -69.89 146.81 85.95 0.74 13.32 67.84 8.67 9.44 7.13 6.05 0.00 0.34 0.53 58 S C C 85.47 2.58 9.01 13.16 109.36 -117.74 -84.00 127.77 77.53 1.32 21.15 49.25 14.05 13.99 9.66 11.54 0.00 0.58 0.92 59 S C C 89.89 1.77 9.19 12.20 104.71 -97.68 -87.16 28.51 71.10 1.52 27.38 40.36 16.24 14.62 12.84 14.24 0.01 0.67 1.01 60 Q C C 131.11 2.34 8.85 12.76 108.06 129.98 -91.18 88.38 66.03 1.71 32.26 39.53 13.54 12.90 16.18 16.04 0.01 0.79 1.02 61 S C C 71.97 4.16 8.66 14.55 112.24 151.17 -93.38 124.94 66.11 1.88 32.01 40.67 12.17 13.32 16.34 15.54 0.01 0.90 1.05 62 S C C 76.41 3.43 9.03 14.07 110.28 -165.10 -94.19 104.59 66.04 2.20 31.77 40.33 12.42 13.44 15.62 15.92 0.01 1.04 1.22 63 H C C 135.53 3.13 8.65 13.43 105.65 80.78 -89.43 45.72 65.00 2.83 32.18 38.78 13.04 13.53 15.56 16.22 0.02 1.39 1.47 64 Q C C 126.08 2.86 8.07 12.64 108.99 124.55 -88.13 95.51 70.23 3.45 26.32 40.98 15.79 13.97 12.35 13.47 0.02 1.70 1.72 65 K C C 158.37 1.61 8.73 11.65 110.34 91.93 -90.60 113.84 77.17 3.76 19.07 49.33 16.44 11.60 9.37 9.36 0.01 1.86 2.03 66 Q C C 127.54 2.45 7.62 11.95 117.97 -144.64 -94.09 139.18 92.67 2.61 4.72 61.86 27.00 3.87 2.85 1.77 0.00 1.18 1.46 67 P C C 107.62 1.96 8.75 12.31 114.31 -106.33 -72.69 148.27 92.20 2.61 5.18 69.98 15.28 6.82 2.57 2.51 0.00 1.35 1.48 68 A C C 78.87 2.92 6.93 11.87 115.42 -108.20 -79.25 145.71 90.53 2.85 6.61 61.81 22.36 6.33 2.42 4.11 0.00 1.38 1.58 69 P C C 113.29 1.58 8.05 11.03 108.32 -102.32 -69.82 140.92 89.13 2.18 8.69 52.13 15.45 21.65 1.94 6.72 0.00 1.25 0.86 70 S C C 92.93 1.49 7.31 10.31 109.75 -128.11 -88.59 124.24 91.14 2.04 6.82 72.72 3.32 15.97 1.89 3.93 0.00 1.28 0.88 71 H C C 144.22 2.83 8.84 13.34 108.09 -153.72 -92.77 80.06 99.68 0.25 0.08 99.31 0.29 0.18 0.03 0.02 0.00 0.13 0.05