# 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 S C C 55.47 7.10 14.37 22.58 110.38 -136.39 -84.99 121.37 99.67 0.05 0.27 99.54 0.10 0.12 0.19 0.01 0.00 0.02 0.02 1 V H H 82.83 5.97 11.44 18.81 96.47 86.95 -71.79 -26.54 32.57 0.18 67.26 26.32 1.18 4.72 66.57 1.08 0.00 0.07 0.07 2 Q H H 114.74 2.22 13.38 16.23 94.17 61.69 -66.65 -38.74 15.10 0.14 84.76 8.60 2.10 4.53 83.34 1.31 0.00 0.06 0.06 3 L H H 72.30 5.83 12.73 20.33 93.01 52.43 -66.19 -39.77 6.17 0.08 93.74 3.46 0.94 2.09 91.91 1.53 0.00 0.04 0.02 4 T H H 58.20 7.03 13.37 21.85 92.67 51.62 -65.54 -40.21 3.44 0.06 96.50 1.89 0.53 1.25 95.06 1.22 0.00 0.03 0.01 5 E H H 106.30 2.46 16.42 19.00 92.25 51.12 -65.25 -40.56 3.03 0.04 96.93 1.34 0.44 1.35 95.77 1.06 0.00 0.02 0.01 6 K H H 105.07 3.57 16.70 20.88 92.27 50.33 -65.41 -40.61 4.12 0.06 95.82 1.55 0.55 2.11 94.63 1.10 0.01 0.03 0.02 7 R H H 79.10 11.84 14.77 27.15 92.46 50.38 -65.42 -39.61 6.46 0.07 93.47 2.33 0.85 3.35 92.24 1.16 0.01 0.03 0.03 8 M H H 85.09 7.48 16.59 24.99 92.40 52.03 -64.71 -39.90 10.29 0.10 89.62 3.76 1.53 5.26 87.63 1.72 0.01 0.04 0.05 9 D H H 93.78 1.78 19.94 20.32 92.78 50.67 -66.35 -38.85 15.75 0.14 84.11 4.57 2.32 9.24 80.42 3.29 0.03 0.07 0.07 10 K H H 77.93 8.78 17.44 27.01 93.21 49.19 -68.88 -38.31 17.37 0.21 82.42 4.93 2.67 10.41 75.86 5.87 0.05 0.12 0.10 11 V H H 29.07 17.10 12.16 29.22 92.72 55.67 -67.17 -31.37 17.56 0.24 82.20 4.24 2.51 10.46 68.46 14.04 0.06 0.13 0.11 12 G H H 50.14 3.33 17.26 21.40 92.35 60.05 -68.01 -20.19 42.35 0.18 57.46 4.86 3.57 32.16 44.89 14.23 0.05 0.09 0.15 13 K C T 145.35 2.12 17.94 19.88 95.17 59.50 -84.41 -11.19 61.26 0.25 38.49 7.01 7.27 46.05 25.47 13.81 0.03 0.11 0.26 14 Y C S 46.86 18.21 7.95 24.89 120.65 91.42 -89.73 144.78 94.35 0.31 5.34 31.79 59.31 3.13 4.59 0.76 0.00 0.07 0.34 15 P C C 71.25 3.71 17.02 21.17 115.65 -104.14 -66.92 152.97 91.56 0.13 8.31 85.66 2.87 3.10 7.34 0.89 0.00 0.04 0.10 16 K H H 139.98 4.04 14.20 20.09 92.29 -109.70 -59.18 -37.72 22.40 0.16 77.44 6.71 4.21 11.03 61.99 15.86 0.03 0.07 0.09 17 E H H 109.52 4.88 18.07 23.81 91.99 54.96 -64.44 -37.74 16.31 0.13 83.56 3.29 2.14 9.75 68.13 16.52 0.04 0.07 0.06 18 L H H 27.76 17.38 15.40 32.77 92.78 49.33 -68.02 -37.89 14.03 0.20 85.77 3.70 1.87 7.51 68.70 17.99 0.03 0.12 0.07 19 R H H 77.37 14.03 18.32 32.05 91.64 54.94 -64.00 -39.85 19.88 0.39 79.73 10.19 3.21 7.31 72.17 6.72 0.02 0.20 0.17 20 K H H 105.27 4.00 25.12 28.95 91.85 52.42 -65.09 -40.40 17.27 0.37 82.36 7.55 2.47 7.78 76.15 5.66 0.03 0.21 0.15 21 C H H 16.76 15.00 21.04 36.69 92.05 51.03 -64.09 -43.53 9.52 0.27 90.21 3.94 1.48 4.40 83.63 6.28 0.02 0.16 0.09 22 C H H 8.25 22.00 19.16 40.86 92.43 49.00 -65.13 -41.73 7.52 0.26 92.22 2.79 1.12 3.79 85.83 6.21 0.03 0.17 0.07 23 E H H 84.16 8.33 24.62 33.13 92.01 49.63 -64.93 -40.90 7.63 0.22 92.14 2.04 1.29 4.58 86.12 5.67 0.09 0.12 0.08 24 D H H 56.99 6.01 24.02 30.40 92.27 48.97 -66.80 -37.35 13.68 0.18 86.14 2.15 1.70 9.97 79.59 6.30 0.12 0.09 0.09 25 G H H 7.21 17.53 17.23 35.08 93.05 52.44 -67.15 -35.81 22.68 0.19 77.13 3.40 2.34 16.87 68.91 8.20 0.08 0.10 0.11 26 M H H 36.02 16.66 15.19 31.84 93.50 55.86 -74.55 -21.10 28.78 1.00 70.23 9.42 4.76 15.80 57.02 11.76 0.19 0.48 0.57 27 R H H 157.32 2.73 19.17 22.52 93.00 65.18 -68.11 -35.25 38.62 1.14 60.24 7.34 7.25 24.67 49.81 9.38 0.35 0.54 0.66 28 E H H 118.49 4.10 17.13 21.87 97.47 39.02 -83.63 -24.13 48.93 1.00 50.07 6.57 12.15 31.39 42.30 6.26 0.26 0.43 0.65 29 N C C 40.75 13.40 10.22 24.11 113.26 41.54 -123.33 102.19 97.82 1.33 0.85 58.82 37.11 1.71 0.48 0.32 0.00 0.37 1.19 30 P C T 95.52 4.12 13.83 19.97 92.82 -165.34 -64.52 -20.78 94.35 0.23 5.42 5.77 8.94 78.56 0.52 5.95 0.00 0.13 0.13 31 M C T 107.04 5.15 14.20 20.73 93.66 57.29 -86.44 -3.71 93.72 0.51 5.76 4.51 11.60 76.67 0.52 6.16 0.00 0.30 0.25 32 R C C 154.06 5.06 16.55 23.27 95.50 -125.08 62.69 35.63 93.20 2.10 4.70 49.74 24.04 18.20 0.48 5.43 0.00 1.02 1.07 33 F C C 46.89 12.59 13.88 27.95 120.09 155.55 -91.26 143.98 96.22 3.45 0.33 72.32 23.42 0.55 0.17 0.13 0.00 1.16 2.24 34 S C C 36.60 6.23 23.20 29.98 121.22 -121.79 -78.58 162.23 96.03 3.67 0.30 94.82 1.42 0.19 0.20 0.06 0.00 1.09 2.22 35 C H H 12.27 22.73 14.40 37.26 91.36 -107.49 -58.37 -38.48 3.96 0.01 96.03 0.76 0.61 2.41 94.65 1.55 0.01 0.00 0.01 36 Q H H 93.45 6.80 21.29 28.70 91.48 53.90 -63.67 -40.61 1.50 0.00 98.49 0.14 0.11 1.13 97.15 1.48 0.00 0.00 0.00 37 R H H 117.02 3.72 23.18 26.50 92.11 48.43 -65.77 -40.89 0.79 0.00 99.21 0.11 0.06 0.54 97.43 1.87 0.00 0.00 0.00 38 R H H 24.67 18.98 16.59 35.45 92.31 50.02 -65.52 -40.85 0.89 0.00 99.11 0.12 0.06 0.58 97.59 1.64 0.00 0.00 0.00 39 T H H 23.31 17.69 15.45 33.07 91.65 54.77 -64.49 -35.29 2.23 0.01 97.76 0.18 0.12 1.75 93.57 4.37 0.00 0.00 0.00 40 R H H 162.10 1.87 21.45 22.78 91.62 54.91 -67.51 -31.51 8.66 0.01 91.33 0.28 0.32 8.15 85.82 5.40 0.01 0.00 0.01 41 F H H 103.83 7.05 18.46 26.16 94.72 48.92 -78.11 -24.20 17.34 0.04 82.63 0.83 1.08 15.35 78.61 4.06 0.03 0.01 0.02 42 I H H 23.93 20.37 10.23 29.46 105.24 65.59 -88.23 50.45 47.80 0.77 51.42 18.99 8.34 21.95 45.68 4.13 0.05 0.26 0.58 43 S C T 77.60 4.32 16.85 22.17 101.03 96.81 -83.40 -3.65 84.18 0.35 15.47 30.18 5.73 48.14 12.92 2.65 0.00 0.16 0.24 44 L C T 108.20 5.29 14.33 20.64 103.15 74.88 -87.71 15.17 89.65 0.29 10.07 12.71 21.02 56.44 6.47 3.00 0.00 0.11 0.26 45 G C C 31.90 6.56 15.28 22.97 126.98 -0.71 109.83 167.54 98.32 0.22 1.46 78.43 17.84 2.03 0.99 0.42 0.00 0.07 0.21 46 E H H 131.76 3.30 16.60 20.93 94.35 -91.94 -64.91 -36.04 6.95 0.02 93.03 1.69 2.13 2.94 92.51 0.70 0.00 0.00 0.01 47 A H H 52.58 6.19 18.96 26.01 92.31 53.01 -64.17 -39.83 2.73 0.00 97.26 0.32 0.29 1.95 96.56 0.88 0.00 0.00 0.00 48 C H H 9.18 20.42 14.84 35.38 92.23 49.45 -65.58 -41.11 1.27 0.00 98.73 0.21 0.10 0.83 97.93 0.92 0.00 0.00 0.00 49 K H H 68.16 12.95 19.74 32.61 91.24 52.75 -62.71 -42.28 0.26 0.00 99.74 0.05 0.02 0.14 99.65 0.15 0.00 0.00 0.00 50 K H H 115.15 2.97 26.00 28.54 91.51 49.86 -64.26 -41.47 0.07 0.00 99.93 0.01 0.00 0.04 99.93 0.02 0.00 0.00 0.00 51 V H H 17.52 14.97 21.80 37.44 91.61 50.05 -63.38 -43.48 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 52 F H H 8.93 23.66 20.56 43.77 91.46 49.37 -63.59 -43.37 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 53 L H H 57.09 10.47 24.76 35.44 91.39 49.48 -63.84 -42.13 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 54 D H H 65.00 5.15 26.83 32.41 91.59 49.22 -64.36 -41.86 0.08 0.00 99.92 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 55 C H H 7.86 19.30 21.19 40.76 91.71 49.63 -63.97 -43.26 0.19 0.00 99.81 0.00 0.00 0.15 99.81 0.03 0.00 0.00 0.00 56 C H H 12.83 18.39 20.96 39.37 91.43 49.96 -63.68 -41.90 0.26 0.00 99.74 0.02 0.01 0.17 99.77 0.03 0.00 0.00 0.00 57 N H H 84.01 3.96 25.45 29.14 91.64 50.17 -64.30 -41.89 0.38 0.00 99.62 0.02 0.01 0.28 99.66 0.03 0.00 0.00 0.00 58 Y H H 76.21 8.67 22.71 32.05 91.85 49.26 -64.56 -42.49 0.25 0.00 99.75 0.02 0.01 0.17 99.77 0.03 0.00 0.00 0.00 59 I H H 16.19 18.42 18.22 36.88 91.78 49.80 -64.13 -42.54 0.17 0.00 99.83 0.02 0.01 0.09 99.85 0.03 0.00 0.00 0.00 60 T H H 49.44 7.84 20.44 29.15 91.75 50.14 -63.73 -41.65 0.18 0.00 99.82 0.02 0.01 0.10 99.85 0.03 0.00 0.00 0.00 61 E H H 98.28 2.62 21.79 23.49 91.78 49.92 -64.42 -41.37 0.29 0.00 99.70 0.03 0.01 0.17 99.75 0.04 0.00 0.00 0.00 62 L H H 42.20 10.12 17.42 29.05 92.11 49.57 -64.93 -41.27 0.39 0.00 99.60 0.05 0.02 0.22 99.66 0.05 0.00 0.00 0.00 63 R H H 86.55 10.17 16.78 27.70 91.97 51.14 -64.41 -40.72 0.53 0.00 99.47 0.09 0.04 0.28 99.52 0.08 0.00 0.00 0.00 64 R H H 138.13 2.15 19.10 20.67 91.98 49.91 -64.60 -40.34 0.94 0.00 99.06 0.16 0.06 0.53 99.11 0.13 0.00 0.00 0.00 65 Q H H 93.59 3.52 17.66 21.62 92.25 50.01 -65.42 -40.69 1.41 0.01 98.59 0.25 0.12 0.81 98.62 0.20 0.00 0.00 0.00 66 H H H 81.58 7.04 15.30 23.67 92.82 48.98 -66.20 -39.93 2.80 0.02 97.18 0.62 0.28 1.59 97.08 0.40 0.00 0.01 0.00 67 A H H 51.61 3.83 15.43 20.45 92.20 51.57 -64.80 -39.94 6.03 0.05 93.92 1.65 0.63 3.42 93.48 0.77 0.01 0.02 0.02 68 R H H 129.92 2.30 15.33 17.75 93.03 50.52 -66.62 -38.86 10.51 0.16 89.33 3.18 1.51 5.90 88.04 1.21 0.02 0.07 0.07 69 A H H 51.02 4.90 12.34 18.90 93.52 52.41 -66.85 -39.27 15.70 0.29 84.00 5.79 2.61 7.78 81.67 1.86 0.03 0.13 0.13 70 S H H 71.59 2.79 12.83 16.63 95.06 49.62 -69.38 -36.71 24.52 0.33 75.15 7.70 3.52 13.99 70.68 3.74 0.04 0.17 0.16 71 H H H 141.86 1.62 12.44 14.38 96.02 45.78 -74.43 -31.25 32.60 0.45 66.95 6.83 5.08 21.71 61.61 4.24 0.09 0.20 0.24 72 L C H 102.85 3.43 10.38 15.20 97.95 45.00 -89.99 -7.50 55.28 0.76 43.96 9.69 12.30 33.73 39.38 4.01 0.11 0.28 0.49 73 G C T 55.71 1.94 11.91 14.83 99.86 -116.57 74.20 9.97 84.90 0.89 14.21 24.04 19.63 42.00 8.49 4.92 0.01 0.40 0.52 74 L C C 100.44 4.61 9.29 15.56 103.16 106.51 -84.47 -4.35 83.09 2.19 14.72 43.34 18.87 21.47 7.09 6.94 0.00 1.08 1.20 75 A C C 66.44 5.91 8.73 16.16 109.16 74.34 -89.66 122.60 88.39 1.81 9.80 73.65 3.60 12.32 4.87 3.54 0.00 1.04 0.99 76 R C C 161.43 3.37 12.54 17.62 110.00 -149.37 -88.92 109.53 99.90 0.06 0.04 99.77 0.10 0.07 0.01 0.00 0.00 0.03 0.01