# 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 100.65 6.39 12.58 20.17 110.17 -159.35 -83.58 125.79 99.87 0.05 0.09 99.81 0.06 0.05 0.05 0.00 0.00 0.02 0.01 1 A C C 63.91 4.46 10.73 16.71 101.76 -117.43 -72.08 -33.89 60.09 1.14 38.77 54.20 1.24 5.75 34.00 3.69 0.00 0.59 0.53 2 A H H 69.19 3.35 10.12 15.01 98.47 54.20 -70.06 -32.28 42.04 1.25 56.71 26.12 7.44 9.63 46.67 8.95 0.02 0.67 0.50 3 R H H 149.35 2.42 11.11 14.70 96.56 56.34 -70.62 -32.90 33.48 1.20 65.32 20.51 5.83 7.89 52.16 12.49 0.02 0.67 0.42 4 D H H 86.62 3.88 11.31 16.69 95.85 57.62 -71.28 -30.35 30.21 0.79 69.00 19.34 4.91 6.61 56.62 11.80 0.01 0.42 0.29 5 F H H 115.89 4.70 11.27 17.55 96.75 57.56 -73.55 -28.21 31.23 0.86 67.91 19.20 5.44 7.51 57.36 9.68 0.02 0.45 0.34 6 E H H 117.20 3.30 13.66 17.98 96.80 60.58 -73.13 -28.99 35.81 0.89 63.30 22.46 5.71 8.40 56.47 6.12 0.01 0.45 0.37 7 Y H H 115.06 6.38 12.03 19.86 100.31 66.47 -79.24 -21.32 41.49 0.78 57.72 23.85 8.83 9.03 53.71 3.87 0.01 0.34 0.35 8 N H H 80.60 5.34 14.22 20.73 104.22 63.72 -80.56 15.00 48.89 0.49 50.63 35.00 5.33 7.08 49.96 2.21 0.00 0.20 0.22 9 N H H 92.56 5.25 13.75 20.29 95.54 68.54 -67.19 -34.03 18.32 0.19 81.50 10.02 3.37 5.47 78.41 2.57 0.01 0.08 0.08 10 Q H H 111.76 1.94 16.44 17.97 93.34 53.58 -66.55 -39.89 11.26 0.12 88.62 4.91 1.93 4.77 85.98 2.29 0.01 0.06 0.05 11 D H H 62.04 5.98 15.94 23.25 92.91 50.55 -67.00 -39.25 10.44 0.16 89.41 5.98 1.56 3.45 87.00 1.87 0.00 0.07 0.06 12 V H H 43.35 10.81 14.10 26.20 92.48 51.69 -64.96 -41.34 2.93 0.02 97.05 1.43 0.45 1.09 96.38 0.62 0.00 0.01 0.01 13 N H H 92.93 2.92 18.98 21.94 92.15 51.16 -64.74 -40.28 1.95 0.01 98.04 0.76 0.27 0.91 97.59 0.45 0.00 0.01 0.00 14 Q H H 105.92 2.48 19.56 21.51 92.21 49.38 -65.77 -40.59 1.94 0.02 98.05 0.65 0.26 1.02 97.64 0.42 0.00 0.01 0.00 15 L H H 47.95 11.40 16.57 28.87 92.03 49.87 -64.71 -41.95 1.15 0.01 98.84 0.38 0.16 0.56 98.69 0.21 0.00 0.00 0.00 16 N H H 71.22 7.97 18.74 27.44 91.80 50.98 -63.60 -41.21 1.08 0.01 98.91 0.27 0.11 0.59 98.84 0.19 0.00 0.00 0.00 17 G H H 35.82 2.40 20.72 22.26 91.64 50.42 -63.60 -41.56 1.25 0.00 98.74 0.25 0.11 0.77 98.66 0.21 0.00 0.00 0.00 18 A H H 40.27 6.66 18.58 26.37 91.95 50.51 -64.47 -41.36 1.28 0.01 98.72 0.25 0.11 0.76 98.69 0.20 0.00 0.00 0.00 19 F H H 65.31 11.96 17.09 29.63 92.16 49.67 -64.93 -41.57 1.28 0.01 98.72 0.28 0.12 0.74 98.69 0.17 0.00 0.00 0.00 20 I H H 89.47 3.63 20.20 23.85 91.70 49.99 -64.22 -41.46 0.95 0.00 99.04 0.28 0.09 0.47 99.00 0.15 0.00 0.00 0.00 21 S H H 60.07 2.69 20.55 22.55 91.93 49.97 -64.63 -40.48 1.49 0.01 98.50 0.42 0.13 0.78 98.47 0.19 0.00 0.00 0.00 22 L H H 51.07 10.44 16.74 28.23 92.24 50.44 -65.36 -40.83 1.62 0.01 98.37 0.55 0.17 0.80 98.22 0.25 0.00 0.00 0.00 23 V H H 60.34 8.41 17.83 27.22 92.21 50.49 -64.08 -41.92 1.75 0.02 98.23 0.67 0.20 0.80 98.05 0.26 0.00 0.01 0.00 24 E H H 107.58 2.18 20.80 21.84 91.90 49.99 -64.64 -41.31 2.66 0.02 97.32 0.92 0.29 1.31 97.10 0.35 0.00 0.01 0.00 25 D H H 69.49 5.43 19.09 25.09 92.39 49.60 -65.93 -39.91 4.13 0.02 95.84 1.35 0.49 2.10 95.49 0.54 0.01 0.01 0.01 26 E H H 64.65 12.02 16.68 29.08 92.23 51.64 -64.99 -40.26 6.40 0.05 93.55 2.02 0.79 3.45 92.82 0.87 0.01 0.02 0.02 27 K H H 112.52 4.23 20.58 25.10 92.12 51.18 -64.78 -40.90 9.78 0.09 90.13 3.12 1.22 5.37 89.04 1.16 0.01 0.04 0.04 28 I H H 87.74 3.23 21.53 24.18 91.99 49.28 -65.06 -41.75 11.51 0.15 88.34 3.80 1.77 6.19 86.61 1.48 0.02 0.06 0.06 29 G H H 17.40 11.34 17.19 29.72 92.23 51.29 -64.22 -41.39 14.09 0.15 85.75 5.36 1.85 7.28 82.70 2.65 0.02 0.07 0.07 30 F H H 83.08 10.00 18.91 29.31 92.25 50.36 -65.07 -40.76 12.67 0.25 87.08 4.04 1.75 7.38 82.35 4.21 0.04 0.14 0.10 31 W H H 143.44 3.80 22.10 25.85 92.41 50.26 -65.18 -41.21 11.10 0.26 88.64 3.18 1.61 6.69 83.89 4.32 0.05 0.16 0.10 32 V H H 67.82 6.84 21.33 28.29 92.50 49.57 -65.64 -42.01 15.64 0.33 84.03 3.28 2.30 10.43 80.10 3.46 0.09 0.18 0.15 33 G H H 16.91 13.44 18.59 32.43 93.09 50.58 -64.72 -41.85 23.78 0.28 75.94 6.06 3.05 15.00 73.33 2.24 0.04 0.12 0.15 34 V H H 64.90 7.75 21.80 29.95 92.51 48.99 -65.27 -41.62 12.52 0.13 87.34 3.11 2.06 7.68 85.48 1.51 0.04 0.05 0.08 35 G H H 31.71 4.95 22.59 27.82 92.06 50.25 -64.19 -41.86 8.40 0.05 91.55 1.94 1.12 5.31 90.26 1.28 0.02 0.02 0.03 36 G H H 18.89 11.21 19.79 31.61 92.16 50.81 -64.53 -41.81 5.31 0.03 94.65 1.59 0.71 2.97 93.69 1.01 0.01 0.01 0.02 37 F H H 68.09 12.16 19.82 32.04 92.25 49.84 -64.59 -41.54 2.50 0.02 97.48 0.78 0.34 1.34 96.98 0.54 0.01 0.01 0.01 38 A H H 50.99 4.88 22.21 27.35 91.59 50.15 -63.84 -42.16 1.23 0.01 98.76 0.35 0.14 0.66 98.60 0.24 0.00 0.00 0.00 39 Y H H 110.38 5.16 22.19 27.28 91.95 49.18 -64.65 -41.63 0.73 0.00 99.26 0.19 0.07 0.39 99.20 0.15 0.00 0.00 0.00 40 S H H 22.15 14.05 17.42 32.13 92.07 51.37 -64.28 -41.40 0.53 0.00 99.46 0.11 0.04 0.31 99.43 0.11 0.00 0.00 0.00 41 Q H H 75.01 8.65 19.67 28.92 92.28 51.13 -64.48 -40.94 0.54 0.00 99.46 0.08 0.04 0.35 99.41 0.11 0.00 0.00 0.00 42 F H H 108.79 3.01 21.29 23.68 92.00 50.00 -64.90 -41.73 0.71 0.01 99.29 0.12 0.06 0.46 99.20 0.14 0.00 0.00 0.00 43 I H H 55.21 8.53 17.96 27.66 92.15 49.65 -64.99 -41.83 0.99 0.01 99.00 0.16 0.08 0.65 98.84 0.26 0.00 0.00 0.00 44 M H H 52.24 12.76 15.57 28.99 92.21 51.52 -64.92 -40.46 1.93 0.01 98.06 0.32 0.16 1.31 97.41 0.79 0.00 0.01 0.00 45 R H H 125.03 4.19 18.15 23.01 92.32 52.45 -65.23 -39.52 5.49 0.03 94.48 0.72 0.43 4.15 92.72 1.93 0.01 0.02 0.01 46 K H H 115.37 3.15 18.03 21.27 93.19 50.26 -67.90 -38.46 12.13 0.07 87.80 1.47 1.08 9.46 84.99 2.90 0.03 0.04 0.03 47 F H H 72.83 10.39 13.97 25.25 95.95 46.92 -76.47 -32.81 22.40 0.39 77.21 6.46 3.54 13.02 72.96 3.58 0.06 0.18 0.20 48 V H H 64.78 9.52 12.82 23.27 97.26 53.63 -76.64 -28.37 39.08 1.45 59.47 18.79 6.37 14.84 55.62 3.01 0.05 0.71 0.62 49 K C H 144.29 2.09 14.94 17.31 98.44 57.34 -80.26 -18.05 53.87 1.99 44.13 24.25 10.37 19.39 41.07 3.10 0.05 0.97 0.79 50 S C C 65.45 4.85 11.67 18.01 105.33 69.24 -87.43 51.90 72.94 1.54 25.52 41.70 15.25 14.41 24.47 2.81 0.01 0.71 0.65 51 T C C 84.81 5.29 11.64 18.37 104.03 96.91 -87.86 5.99 77.32 1.03 21.65 41.45 19.49 15.23 19.88 3.00 0.01 0.45 0.49 52 N C C 92.74 4.81 13.06 19.20 105.93 97.41 -83.91 45.40 69.43 0.95 29.62 39.42 19.20 10.21 27.06 3.24 0.01 0.36 0.49 53 I H H 98.34 5.09 13.88 20.22 95.73 78.09 -66.76 -35.98 40.56 0.71 58.72 18.95 9.03 13.42 52.86 5.08 0.03 0.33 0.31 54 F H H 106.87 6.23 15.35 22.64 94.67 51.94 -68.52 -36.55 31.58 1.03 67.39 17.14 5.05 10.72 60.87 5.24 0.03 0.59 0.37 55 A H H 44.61 8.74 15.20 25.02 94.14 56.28 -66.43 -39.24 19.78 0.61 79.61 10.07 3.44 7.10 73.38 5.41 0.02 0.36 0.20 56 S H H 51.50 6.89 17.41 25.14 94.28 52.64 -66.92 -38.80 18.51 0.99 80.50 10.09 3.07 6.49 74.95 4.43 0.03 0.67 0.28 57 V H H 68.48 6.01 18.75 25.35 93.70 50.67 -66.89 -41.15 12.44 0.82 86.74 7.03 2.30 4.14 83.01 2.73 0.02 0.55 0.22 58 T H H 52.30 8.07 18.59 27.53 93.18 51.52 -65.77 -40.80 11.55 0.54 87.91 6.67 1.94 3.71 85.19 1.98 0.01 0.36 0.14 59 S H H 38.90 11.12 17.94 29.39 92.87 51.56 -64.99 -40.70 10.08 0.42 89.49 5.15 1.61 3.96 86.86 2.01 0.02 0.29 0.11 60 L H H 83.56 6.95 20.19 27.19 92.58 50.34 -65.99 -40.62 9.26 0.38 90.35 3.53 1.45 4.74 87.90 1.97 0.04 0.27 0.10 61 F H H 105.39 5.06 21.68 26.81 92.01 49.26 -65.42 -41.71 7.94 0.37 91.68 3.15 1.35 3.89 89.81 1.42 0.03 0.24 0.11 62 A H H 33.71 10.64 19.35 30.66 92.29 49.62 -64.80 -41.93 5.84 0.13 94.02 2.11 0.90 2.98 92.94 0.93 0.02 0.07 0.05 63 G H H 20.30 12.21 18.68 31.37 92.51 51.78 -63.57 -41.81 5.49 0.05 94.46 1.59 0.72 3.10 93.79 0.76 0.01 0.02 0.02 64 A H H 50.32 5.67 21.77 27.63 92.01 50.33 -64.80 -41.06 2.54 0.02 97.44 0.77 0.36 1.35 96.87 0.62 0.01 0.01 0.01 65 A H H 46.22 6.17 21.81 28.45 92.05 49.84 -64.96 -41.46 2.40 0.03 97.57 0.61 0.29 1.46 96.88 0.72 0.01 0.01 0.01 66 L H H 40.88 13.34 18.94 32.55 92.28 49.38 -64.91 -41.68 2.69 0.02 97.29 0.63 0.31 1.67 96.49 0.87 0.01 0.01 0.01 67 A H H 37.65 10.13 19.00 29.79 91.86 51.84 -63.63 -41.31 3.48 0.03 96.49 0.71 0.36 2.32 94.97 1.62 0.01 0.01 0.01 68 N H H 85.24 3.50 21.36 24.66 92.10 50.71 -65.43 -39.36 8.99 0.03 90.98 1.09 0.68 7.09 88.91 2.18 0.02 0.01 0.02 69 L H H 64.00 7.64 18.43 26.95 92.69 50.81 -65.78 -40.77 11.32 0.08 88.59 2.19 1.43 7.73 85.65 2.89 0.03 0.04 0.04 70 Y H H 71.86 12.01 15.87 28.31 93.39 49.38 -67.07 -39.15 17.66 0.67 81.67 7.16 3.59 8.19 77.41 2.97 0.06 0.35 0.26 71 T H H 68.10 6.03 16.65 23.40 94.44 50.55 -69.18 -36.84 26.30 0.79 72.91 12.14 4.67 10.49 69.38 2.57 0.03 0.40 0.31 72 H H H 128.23 2.43 16.94 19.38 96.21 48.95 -74.33 -30.99 30.09 0.64 69.27 12.69 6.40 12.00 65.36 2.95 0.04 0.29 0.28 73 Q H H 96.39 6.24 15.03 22.19 98.61 50.67 -79.72 -28.03 37.60 0.54 61.86 15.41 8.57 13.88 58.80 2.86 0.02 0.22 0.25 74 S H H 45.57 8.81 14.27 23.94 104.07 50.14 -76.67 -33.73 44.33 0.51 55.16 26.98 5.97 10.89 52.99 2.71 0.01 0.20 0.26 75 R H H 142.92 4.72 15.70 21.61 94.33 47.94 -65.02 -36.94 13.67 0.12 86.21 5.53 2.50 6.03 81.61 4.21 0.01 0.06 0.05 76 A H H 64.41 2.21 18.71 20.19 92.84 52.73 -66.29 -39.58 11.66 0.08 88.27 3.13 1.59 6.69 84.14 4.36 0.01 0.04 0.03 77 S H H 35.72 8.63 16.44 26.51 92.66 50.62 -66.25 -39.56 11.65 0.09 88.26 4.14 1.46 6.10 84.43 3.78 0.01 0.04 0.04 78 Y H H 68.73 13.67 15.53 29.31 92.09 52.91 -63.53 -41.52 2.46 0.01 97.53 0.96 0.32 1.03 97.16 0.52 0.00 0.01 0.00 79 A H H 60.07 3.46 20.86 24.15 91.76 51.28 -64.22 -40.72 1.01 0.00 98.98 0.31 0.10 0.49 98.89 0.20 0.00 0.00 0.00 80 R H H 128.85 2.73 21.94 23.98 92.05 49.88 -65.06 -41.36 0.76 0.00 99.23 0.19 0.07 0.43 99.16 0.15 0.00 0.00 0.00 81 V H H 29.78 13.68 17.89 32.25 92.13 49.11 -64.31 -42.84 0.36 0.00 99.64 0.09 0.03 0.19 99.63 0.07 0.00 0.00 0.00 82 A H H 32.85 11.26 18.77 30.61 91.86 50.95 -63.11 -42.15 0.28 0.00 99.72 0.05 0.02 0.15 99.73 0.05 0.00 0.00 0.00 83 A H H 57.32 2.48 22.66 23.98 91.67 50.13 -63.54 -41.95 0.37 0.00 99.62 0.05 0.02 0.22 99.64 0.06 0.00 0.00 0.00 84 R H H 111.63 4.71 22.07 26.86 91.94 49.06 -64.81 -41.20 0.55 0.00 99.45 0.08 0.03 0.35 99.46 0.08 0.00 0.00 0.00 85 A H H 18.35 15.72 16.11 32.38 91.85 50.58 -63.25 -42.12 0.74 0.00 99.26 0.13 0.05 0.45 99.26 0.11 0.00 0.00 0.00 86 N H H 78.46 6.73 20.51 27.67 91.63 50.23 -63.65 -40.91 1.82 0.00 98.17 0.30 0.13 1.19 98.19 0.20 0.00 0.00 0.00 87 R H H 141.89 1.66 22.76 22.58 91.93 49.37 -64.80 -41.46 2.68 0.01 97.32 0.36 0.20 1.86 97.33 0.25 0.00 0.00 0.00 88 N H H 65.90 7.64 20.38 28.49 92.09 48.55 -65.92 -40.62 2.40 0.00 97.60 0.41 0.20 1.49 97.68 0.22 0.00 0.00 0.00 89 A H H 22.02 14.49 16.25 31.34 91.96 51.30 -64.06 -41.91 0.74 0.00 99.26 0.17 0.06 0.37 99.28 0.13 0.00 0.00 0.00 90 S H H 56.77 3.61 21.42 24.84 91.68 51.20 -63.73 -41.49 0.40 0.00 99.60 0.07 0.02 0.21 99.60 0.09 0.00 0.00 0.00 91 L H H 86.87 2.40 21.73 22.99 91.74 49.89 -64.35 -41.49 0.25 0.00 99.75 0.04 0.01 0.14 99.73 0.08 0.00 0.00 0.00 92 A H H 23.79 10.79 16.68 28.97 91.89 50.36 -63.61 -41.77 0.25 0.00 99.75 0.04 0.01 0.14 99.74 0.07 0.00 0.00 0.00 93 L H H 60.36 9.25 16.72 26.89 91.69 50.29 -63.52 -41.35 0.26 0.00 99.74 0.04 0.01 0.15 99.72 0.08 0.00 0.00 0.00 94 N H H 88.90 1.81 18.90 19.51 91.52 50.66 -63.88 -40.40 0.52 0.00 99.48 0.06 0.02 0.33 99.41 0.17 0.00 0.00 0.00 95 K H H 108.51 3.10 16.23 19.76 92.01 50.50 -65.75 -39.76 1.23 0.00 98.77 0.12 0.07 0.89 98.35 0.57 0.00 0.00 0.00 96 L H H 59.59 10.45 11.25 22.53 92.47 51.29 -66.43 -38.03 2.56 0.00 97.44 0.24 0.14 1.91 96.68 1.04 0.00 0.00 0.00 97 M H H 121.11 3.15 12.32 16.65 92.58 52.89 -68.44 -29.04 16.17 0.03 83.81 1.14 0.83 13.54 83.08 1.37 0.01 0.01 0.02 98 E C H 148.06 1.03 12.47 13.18 96.21 54.49 -79.03 -11.66 49.97 0.12 49.91 9.91 1.18 35.86 51.56 1.37 0.00 0.04 0.08 99 Y C C 130.86 6.36 10.27 17.99 102.83 74.28 -82.13 15.14 99.92 0.02 0.06 99.69 0.12 0.14 0.05 0.00 0.00 0.01 0.00