# 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 104.55 7.11 11.93 20.34 115.43 -161.53 -94.53 132.56 99.93 0.03 0.04 99.88 0.05 0.03 0.02 0.00 0.00 0.01 0.00 1 S C C 66.48 3.50 11.41 16.35 113.78 -130.04 -79.91 151.73 79.23 2.46 18.31 74.73 0.78 3.20 18.24 0.76 0.00 0.61 1.67 2 L H H 128.05 1.49 11.49 13.50 93.78 -110.02 -64.37 -35.36 13.99 0.07 85.94 5.13 2.04 6.31 85.21 1.24 0.00 0.03 0.04 3 G H H 40.17 4.04 11.96 17.48 92.78 53.66 -65.27 -39.96 7.61 0.03 92.35 2.14 0.96 4.07 91.48 1.32 0.00 0.01 0.01 4 V H H 73.04 5.88 13.01 20.35 92.80 50.61 -65.75 -40.52 2.40 0.02 97.58 0.84 0.29 1.11 96.75 1.00 0.00 0.01 0.00 5 L H H 98.66 2.30 16.74 18.96 92.01 50.20 -64.59 -41.59 0.92 0.00 99.07 0.24 0.09 0.45 98.83 0.38 0.00 0.00 0.00 6 A H H 56.91 2.87 17.52 20.46 91.73 50.12 -64.36 -41.54 0.65 0.00 99.35 0.12 0.04 0.36 99.29 0.18 0.00 0.00 0.00 7 A H H 37.86 8.41 15.34 25.23 91.89 51.25 -64.21 -40.97 0.46 0.00 99.54 0.07 0.03 0.27 99.54 0.11 0.00 0.00 0.00 8 A H H 50.88 6.03 17.58 24.59 91.71 51.47 -63.86 -41.06 0.31 0.00 99.69 0.04 0.01 0.18 99.70 0.07 0.00 0.00 0.00 9 I H H 104.64 1.93 21.44 21.98 91.73 49.31 -64.21 -42.00 0.21 0.00 99.79 0.02 0.01 0.13 99.78 0.06 0.00 0.00 0.00 10 A H H 48.47 5.83 19.08 25.68 91.80 49.70 -64.47 -42.05 0.25 0.00 99.75 0.02 0.01 0.16 99.74 0.06 0.00 0.00 0.00 11 V H H 57.56 10.49 18.05 29.00 91.84 49.54 -64.19 -41.74 0.38 0.00 99.62 0.03 0.02 0.26 99.62 0.07 0.00 0.00 0.00 12 G H H 35.18 4.34 20.54 25.17 91.72 50.38 -63.32 -42.54 0.56 0.00 99.43 0.05 0.02 0.38 99.44 0.11 0.00 0.00 0.00 13 L H H 95.47 2.36 22.84 24.06 91.65 48.85 -64.49 -41.69 0.67 0.00 99.33 0.05 0.03 0.47 99.24 0.21 0.00 0.00 0.00 14 G H H 21.62 10.07 17.34 28.60 91.92 51.05 -64.12 -41.47 1.18 0.00 98.82 0.08 0.05 0.88 98.65 0.33 0.00 0.00 0.00 15 A H H 46.18 8.60 18.93 28.24 91.68 50.76 -64.13 -41.37 2.28 0.00 97.72 0.16 0.12 1.75 97.52 0.45 0.00 0.00 0.00 16 L H H 102.54 1.94 23.33 23.59 91.78 49.28 -64.47 -41.66 2.12 0.00 97.88 0.24 0.16 1.43 97.76 0.42 0.00 0.00 0.00 17 G H H 31.75 4.91 20.21 25.73 91.98 50.51 -64.29 -41.76 2.48 0.00 97.51 0.33 0.18 1.62 97.43 0.44 0.00 0.00 0.00 18 A H H 32.30 11.51 16.35 28.84 91.66 51.01 -64.55 -40.81 2.72 0.00 97.28 0.31 0.21 1.89 97.02 0.57 0.00 0.00 0.00 19 G H H 37.03 4.17 20.43 24.84 92.05 51.21 -63.87 -41.93 2.77 0.00 97.23 0.33 0.22 1.93 97.02 0.50 0.00 0.00 0.00 20 I H H 103.68 1.88 22.37 22.46 91.91 48.58 -64.76 -41.89 1.66 0.00 98.34 0.22 0.15 1.07 98.23 0.34 0.00 0.00 0.00 21 G H H 23.36 8.23 17.48 27.17 92.06 50.63 -64.11 -41.89 1.19 0.00 98.81 0.15 0.08 0.74 98.82 0.21 0.00 0.00 0.00 22 N H H 64.44 9.15 17.71 27.68 91.53 50.58 -63.88 -40.88 0.91 0.00 99.09 0.10 0.05 0.59 99.06 0.19 0.00 0.00 0.00 23 G H H 38.07 2.93 19.89 22.52 91.89 51.07 -64.09 -41.25 0.82 0.00 99.18 0.09 0.05 0.54 99.15 0.18 0.00 0.00 0.00 24 L H H 90.70 3.07 19.76 22.50 92.20 49.65 -65.26 -41.17 1.09 0.00 98.91 0.09 0.06 0.83 98.84 0.18 0.00 0.00 0.00 25 I H H 59.86 8.60 16.59 26.52 92.11 49.58 -64.59 -42.16 1.53 0.00 98.47 0.11 0.10 1.19 98.43 0.17 0.00 0.00 0.00 26 V H H 71.21 5.23 18.00 24.14 91.82 49.19 -64.22 -42.02 1.56 0.00 98.44 0.18 0.13 1.02 98.49 0.17 0.00 0.00 0.00 27 S H H 61.12 2.37 19.29 20.91 91.92 50.25 -64.37 -41.14 1.37 0.00 98.63 0.17 0.08 0.90 98.60 0.25 0.00 0.00 0.00 28 R H H 128.66 3.54 18.86 22.65 92.34 49.58 -65.84 -40.44 1.85 0.00 98.14 0.15 0.12 1.38 97.99 0.35 0.00 0.00 0.00 29 T H H 50.64 9.15 15.85 26.14 92.33 50.11 -65.33 -41.31 2.62 0.00 97.38 0.29 0.17 1.89 97.27 0.37 0.00 0.00 0.00 30 I H H 88.36 3.79 18.09 22.30 92.06 49.56 -64.79 -41.39 1.79 0.01 98.20 0.34 0.17 1.04 98.18 0.26 0.00 0.00 0.00 31 E H H 106.45 1.88 19.11 19.80 92.07 50.28 -64.83 -40.81 1.48 0.00 98.51 0.23 0.11 0.92 98.32 0.41 0.00 0.00 0.00 32 G H H 22.40 6.09 14.66 22.87 91.93 51.00 -64.14 -40.65 2.12 0.00 97.88 0.22 0.14 1.52 97.31 0.80 0.00 0.00 0.00 33 I H H 65.89 7.70 12.70 22.08 92.36 50.97 -66.32 -37.72 2.36 0.00 97.63 0.18 0.15 1.83 96.58 1.25 0.00 0.00 0.00 34 A H H 75.07 2.10 14.34 16.93 91.86 54.03 -67.56 -31.70 9.54 0.00 90.45 0.28 0.32 8.96 89.43 0.99 0.00 0.00 0.00 35 R H H 170.70 1.15 14.04 14.58 95.59 45.12 -81.85 -27.49 25.80 0.02 74.18 0.44 1.58 23.47 73.74 0.74 0.01 0.00 0.02 36 Q C C 83.18 5.17 10.50 17.66 111.85 29.87 -130.55 85.26 99.71 0.06 0.24 82.96 16.48 0.27 0.15 0.06 0.00 0.01 0.07 37 P H G 92.88 3.96 10.64 16.93 93.52 -170.75 -62.01 -30.53 10.60 0.02 89.39 0.85 0.56 7.00 1.62 89.95 0.00 0.01 0.00 38 E H G 154.79 0.81 14.25 14.02 91.13 62.30 -71.89 -15.92 9.71 0.01 90.28 0.43 0.47 7.20 1.65 90.24 0.00 0.01 0.00 39 L H G 58.09 8.81 10.28 20.89 95.67 60.12 -92.37 -1.38 9.12 0.03 90.85 2.13 0.82 4.44 3.91 88.68 0.00 0.02 0.00 40 R H H 108.42 9.36 11.87 22.63 92.36 99.35 -58.36 -42.93 2.50 0.00 97.50 0.79 0.30 1.10 96.15 1.66 0.00 0.00 0.00 41 P H H 93.53 1.40 17.53 17.68 91.43 50.90 -63.83 -39.48 1.27 0.00 98.73 0.18 0.08 0.80 97.64 1.30 0.00 0.00 0.00 42 V H H 83.76 2.52 17.58 19.90 91.95 49.57 -65.56 -40.63 0.58 0.00 99.42 0.11 0.04 0.32 98.52 1.01 0.00 0.00 0.00 43 L H H 37.73 12.76 12.76 26.56 91.98 50.35 -64.70 -41.25 0.38 0.00 99.62 0.08 0.03 0.19 99.37 0.33 0.00 0.00 0.00 44 Q H H 90.06 6.38 16.99 24.50 91.73 51.26 -63.72 -40.81 0.52 0.00 99.48 0.12 0.04 0.26 99.45 0.12 0.00 0.00 0.00 45 T H H 79.89 1.69 19.42 19.48 92.25 49.53 -64.96 -41.68 0.71 0.00 99.28 0.14 0.05 0.41 99.27 0.12 0.00 0.00 0.00 46 T H H 64.08 4.92 18.01 23.62 92.08 48.59 -65.87 -40.86 0.74 0.00 99.26 0.12 0.04 0.47 99.21 0.14 0.00 0.00 0.00 47 M H H 51.02 13.27 14.47 28.24 91.98 50.53 -64.51 -41.34 1.17 0.00 98.83 0.14 0.06 0.85 98.75 0.20 0.00 0.00 0.00 48 F H H 112.43 4.64 18.60 23.97 91.96 49.77 -64.39 -41.51 1.20 0.01 98.79 0.13 0.08 0.89 98.70 0.20 0.00 0.00 0.00 49 I H H 103.26 1.70 20.86 20.69 92.05 48.94 -64.70 -41.94 0.71 0.00 99.28 0.10 0.06 0.45 99.28 0.11 0.00 0.00 0.00 50 G H H 22.28 8.04 17.13 26.73 91.91 50.27 -64.37 -41.03 0.95 0.00 99.05 0.18 0.06 0.58 99.02 0.16 0.00 0.00 0.00 51 V H H 40.68 13.04 16.21 29.85 91.93 49.63 -64.23 -41.17 0.65 0.00 99.35 0.07 0.04 0.44 99.30 0.15 0.00 0.00 0.00 52 A H H 55.85 3.97 19.72 23.95 91.57 51.28 -63.43 -41.51 0.62 0.00 99.38 0.06 0.03 0.43 99.31 0.17 0.00 0.00 0.00 53 L H H 98.24 2.46 21.29 22.77 91.91 49.07 -64.90 -41.07 0.66 0.00 99.34 0.05 0.03 0.47 99.08 0.37 0.00 0.00 0.00 54 V H H 39.40 12.53 16.60 29.86 92.34 48.14 -65.31 -40.96 1.10 0.00 98.90 0.06 0.04 0.93 98.32 0.66 0.00 0.00 0.00 55 E H H 73.92 11.48 17.39 29.16 92.31 51.16 -65.00 -39.08 8.30 0.00 91.69 0.13 0.17 8.23 90.69 0.77 0.00 0.00 0.00 56 A H H 59.80 2.77 20.82 22.88 91.86 52.89 -64.65 -40.67 8.73 0.00 91.27 0.19 0.29 8.08 90.90 0.54 0.00 0.00 0.00 57 L H H 77.69 5.35 20.17 25.82 92.03 51.01 -65.18 -41.23 1.61 0.00 98.39 0.28 0.13 0.87 98.31 0.42 0.00 0.00 0.00 58 P H H 27.30 15.24 15.31 31.04 92.19 51.20 -64.52 -41.35 1.13 0.00 98.87 0.27 0.06 0.61 98.63 0.43 0.00 0.00 0.00 59 I H H 87.96 4.88 20.57 25.78 91.79 49.89 -64.21 -42.07 0.24 0.00 99.76 0.04 0.01 0.14 99.62 0.20 0.00 0.00 0.00 60 I H H 96.80 2.21 22.08 22.85 91.87 49.21 -64.32 -42.05 0.09 0.00 99.91 0.01 0.00 0.05 99.91 0.03 0.00 0.00 0.00 61 G H H 16.58 10.42 16.18 28.27 91.71 51.08 -63.70 -41.83 0.08 0.00 99.92 0.01 0.00 0.04 99.93 0.02 0.00 0.00 0.00 62 V H H 56.60 9.74 17.60 28.20 91.96 50.09 -64.17 -42.04 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 63 V H H 83.87 2.38 20.32 21.76 91.62 49.50 -63.98 -42.36 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.02 0.00 0.00 0.00 64 F H H 101.70 3.71 18.60 22.45 91.67 49.25 -64.54 -41.61 0.13 0.00 99.87 0.01 0.00 0.08 99.87 0.03 0.00 0.00 0.00 65 S H H 27.02 10.33 13.53 25.65 91.62 51.51 -63.64 -41.55 0.36 0.00 99.64 0.03 0.01 0.25 99.60 0.12 0.00 0.00 0.00 66 F H H 105.64 4.16 15.49 20.62 92.01 49.68 -64.81 -40.85 0.74 0.00 99.26 0.05 0.03 0.57 98.95 0.40 0.00 0.00 0.00 67 I H H 107.10 1.62 15.09 16.29 92.14 49.75 -65.63 -40.54 1.69 0.00 98.30 0.12 0.09 1.34 97.69 0.76 0.00 0.00 0.00 68 Y H H 132.91 3.66 12.75 17.67 93.12 48.74 -68.95 -36.01 7.63 0.01 92.35 0.46 0.43 6.39 91.44 1.26 0.01 0.01 0.01 69 L H H 97.78 5.25 10.34 17.18 95.11 50.57 -75.04 -18.90 31.56 0.08 68.36 2.08 1.96 26.73 67.49 1.64 0.02 0.03 0.06 70 G C T 56.56 2.08 11.61 14.67 98.06 43.60 -69.68 -1.07 68.09 0.12 31.79 18.24 1.25 44.41 34.76 1.21 0.00 0.04 0.09 71 R C C 153.50 3.42 11.69 16.81 106.81 111.78 -81.09 81.37 99.97 0.01 0.02 99.90 0.04 0.04 0.01 0.00 0.00 0.00 0.00