# 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 114.99 4.08 11.26 16.76 105.51 66.70 -82.17 33.95 99.90 0.01 0.08 99.81 0.06 0.07 0.05 0.00 0.00 0.00 0.00 1 D C C 97.55 2.62 10.09 14.02 103.12 72.36 -78.80 5.29 74.64 0.21 25.15 68.52 0.73 4.09 25.78 0.69 0.00 0.06 0.13 2 D H H 105.37 1.99 9.50 12.66 96.18 65.09 -69.83 -33.46 19.56 0.10 80.34 11.06 2.95 5.27 79.46 1.17 0.00 0.03 0.06 3 L H H 115.56 1.37 10.80 12.50 93.07 54.68 -66.27 -39.49 6.80 0.05 93.15 2.73 1.04 2.95 92.08 1.16 0.00 0.02 0.02 4 V H H 89.15 1.91 12.01 14.51 92.62 50.16 -66.26 -40.73 3.71 0.04 96.25 1.68 0.52 1.54 95.18 1.04 0.00 0.02 0.02 5 F H H 111.70 2.62 12.73 16.27 92.65 49.90 -65.50 -41.12 2.69 0.04 97.27 1.29 0.41 1.08 96.57 0.62 0.00 0.02 0.02 6 A H H 59.53 2.28 13.77 16.61 92.23 50.17 -64.19 -41.14 1.86 0.01 98.13 0.64 0.21 0.89 97.95 0.29 0.00 0.00 0.00 7 G H H 38.26 2.09 14.49 16.76 92.14 50.23 -63.79 -41.13 2.17 0.01 97.82 0.58 0.23 1.17 97.80 0.22 0.00 0.00 0.00 8 N H H 86.01 2.64 14.88 17.88 92.54 50.14 -65.94 -39.79 1.82 0.00 98.17 0.56 0.18 0.89 98.20 0.16 0.00 0.00 0.00 9 K H H 115.39 2.68 15.13 18.29 92.17 50.84 -64.95 -40.30 0.75 0.00 99.25 0.18 0.06 0.38 99.29 0.08 0.00 0.00 0.00 10 A H H 58.32 2.59 14.57 17.57 91.74 51.42 -64.03 -41.18 0.32 0.00 99.68 0.07 0.02 0.16 99.71 0.04 0.00 0.00 0.00 11 L H H 98.47 2.01 15.33 17.29 92.00 50.22 -64.77 -41.12 0.14 0.00 99.86 0.02 0.01 0.07 99.88 0.02 0.00 0.00 0.00 12 Y H H 126.43 2.74 14.98 18.11 92.11 50.38 -64.42 -41.40 0.10 0.00 99.90 0.01 0.00 0.05 99.91 0.01 0.00 0.00 0.00 13 L H H 88.99 2.73 14.92 18.16 91.87 49.43 -64.48 -41.54 0.11 0.00 99.89 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 14 V H H 82.35 2.80 14.73 17.81 91.89 49.69 -64.57 -41.57 0.15 0.00 99.85 0.01 0.00 0.09 99.86 0.03 0.00 0.00 0.00 15 L H H 96.27 2.67 14.70 17.82 92.07 49.25 -65.59 -40.29 0.28 0.00 99.72 0.03 0.01 0.19 99.68 0.09 0.00 0.00 0.00 16 I H H 101.96 2.72 14.78 17.81 92.84 48.76 -66.36 -39.80 0.77 0.00 99.23 0.05 0.03 0.60 99.03 0.29 0.00 0.00 0.00 17 L H H 102.09 2.67 14.83 17.74 93.26 47.02 -69.09 -36.20 4.10 0.00 95.90 0.16 0.18 3.69 95.27 0.69 0.00 0.00 0.00 18 S H H 60.74 3.65 14.13 18.71 95.45 48.34 -76.73 -28.24 29.32 0.04 70.65 1.05 1.64 25.94 70.00 1.31 0.02 0.01 0.03 19 G H H 35.66 3.97 14.26 19.29 93.99 61.34 -67.27 -36.74 35.26 0.12 64.62 7.11 5.51 21.99 63.14 2.11 0.02 0.03 0.09 20 W H H 143.42 2.78 15.86 19.00 92.71 54.97 -64.01 -41.90 7.98 0.02 92.00 2.64 1.45 3.42 91.69 0.78 0.00 0.01 0.01 21 P H H 65.15 5.03 14.79 20.70 92.12 50.04 -64.78 -39.73 5.23 0.02 94.75 2.12 0.58 2.28 94.18 0.81 0.00 0.01 0.01 22 T H H 76.50 3.13 15.81 19.51 92.07 49.95 -65.19 -40.90 1.22 0.01 98.77 0.45 0.14 0.56 98.33 0.51 0.00 0.00 0.00 23 I H H 99.13 1.97 17.30 18.56 92.00 50.04 -64.47 -42.03 0.50 0.00 99.50 0.15 0.05 0.23 99.37 0.19 0.00 0.00 0.00 24 V H H 74.46 3.46 16.32 20.26 92.10 48.97 -64.56 -41.94 0.44 0.00 99.56 0.10 0.03 0.23 99.51 0.12 0.00 0.00 0.00 25 A H H 46.51 5.80 14.50 21.57 91.88 51.25 -64.25 -40.80 0.40 0.00 99.59 0.08 0.03 0.22 99.58 0.10 0.00 0.00 0.00 26 T H H 77.31 2.51 16.99 19.41 92.01 50.16 -64.99 -41.04 0.55 0.00 99.45 0.08 0.03 0.35 99.44 0.10 0.00 0.00 0.00 27 I H H 99.72 1.84 17.77 18.61 92.23 49.08 -64.77 -41.89 0.51 0.00 99.49 0.06 0.03 0.32 99.51 0.07 0.00 0.00 0.00 28 I H H 80.13 4.16 15.73 20.69 91.92 49.60 -64.64 -41.57 0.37 0.00 99.63 0.05 0.02 0.21 99.66 0.05 0.00 0.00 0.00 29 G H H 32.33 4.65 14.78 20.81 91.88 51.73 -63.72 -41.25 0.43 0.00 99.57 0.07 0.02 0.24 99.61 0.06 0.00 0.00 0.00 30 L H H 100.69 1.83 16.98 18.08 92.14 49.58 -65.19 -40.96 0.40 0.00 99.60 0.05 0.02 0.25 99.61 0.07 0.00 0.00 0.00 31 L H H 93.56 2.08 16.95 18.48 92.26 49.61 -64.99 -41.48 0.46 0.00 99.53 0.06 0.03 0.28 99.55 0.08 0.00 0.00 0.00 32 V H H 70.28 3.92 14.99 19.93 91.86 49.92 -64.70 -41.43 0.51 0.00 99.49 0.07 0.03 0.29 99.50 0.10 0.00 0.00 0.00 33 G H H 34.79 3.39 14.89 19.27 92.00 51.54 -63.62 -40.88 0.97 0.00 99.03 0.13 0.06 0.63 99.02 0.16 0.00 0.00 0.00 34 L H H 102.66 1.52 16.40 16.93 92.09 49.57 -64.65 -40.86 1.41 0.00 98.59 0.14 0.08 1.02 98.50 0.25 0.00 0.00 0.00 35 F H H 120.77 2.08 15.69 17.58 92.13 49.39 -65.29 -40.60 1.73 0.01 98.27 0.31 0.17 1.10 98.05 0.35 0.00 0.00 0.00 36 Q H H 94.75 3.30 14.35 18.56 92.20 51.05 -65.03 -39.97 2.95 0.02 97.04 0.74 0.31 1.75 96.75 0.42 0.00 0.01 0.01 37 T H H 74.72 2.23 15.14 17.40 92.02 50.24 -65.08 -40.92 3.92 0.04 96.04 1.05 0.53 2.31 95.49 0.58 0.01 0.02 0.02 38 V H H 84.86 1.79 15.50 16.80 92.03 49.64 -65.41 -41.45 3.79 0.03 96.17 1.22 0.56 1.98 95.55 0.66 0.00 0.02 0.02 39 T H H 67.44 3.12 13.97 17.93 92.21 50.49 -65.25 -41.13 5.40 0.05 94.55 1.81 0.78 2.75 93.71 0.90 0.00 0.02 0.02 40 Q H H 103.99 2.33 14.16 16.91 92.25 51.22 -65.16 -39.87 7.06 0.04 92.89 1.73 0.95 4.18 91.75 1.34 0.01 0.02 0.02 41 L H H 100.64 1.62 14.41 15.67 92.21 50.02 -65.78 -40.28 7.96 0.05 91.99 2.17 1.19 4.49 90.18 1.91 0.01 0.02 0.02 42 Q H H 109.19 2.10 13.77 16.21 92.75 50.78 -66.95 -37.84 9.76 0.04 90.19 2.66 1.34 5.58 87.88 2.50 0.01 0.02 0.03 43 E H H 112.81 3.25 12.88 17.03 93.33 52.86 -69.63 -34.09 15.85 0.07 84.08 4.08 2.00 9.75 79.21 4.88 0.02 0.03 0.05 44 Q H H 118.16 2.22 13.18 15.98 94.38 52.87 -72.23 -28.83 28.79 0.08 71.13 3.87 3.03 21.48 66.72 4.78 0.02 0.03 0.06 45 T H H 86.26 2.50 13.45 16.51 97.80 52.42 -80.78 -24.71 37.83 0.16 62.02 6.62 5.29 26.35 57.06 4.45 0.04 0.06 0.12 46 L H H 94.46 3.77 12.97 17.86 99.46 61.90 -73.41 -33.37 42.22 0.30 57.48 18.74 13.60 9.31 55.24 2.85 0.01 0.10 0.15 47 P H H 73.00 4.20 13.46 18.88 97.27 54.32 -67.65 -33.08 39.98 0.20 59.82 27.70 2.95 7.79 59.36 2.03 0.00 0.08 0.09 48 F H H 122.42 3.83 13.73 18.62 93.91 55.15 -66.14 -38.14 8.75 0.04 91.21 3.74 1.32 3.61 89.68 1.61 0.00 0.02 0.02 49 G H H 39.93 2.14 15.36 17.48 92.78 52.54 -64.26 -41.38 4.25 0.02 95.73 1.79 0.56 1.78 95.06 0.79 0.00 0.01 0.01 50 I H H 91.14 2.77 15.06 18.22 92.61 49.82 -65.57 -40.94 1.41 0.01 98.59 0.57 0.17 0.60 98.27 0.39 0.00 0.00 0.00 51 K H H 97.13 6.09 14.20 21.44 92.18 51.10 -64.56 -40.94 0.61 0.00 99.39 0.20 0.06 0.28 99.29 0.17 0.00 0.00 0.00 52 L H H 97.28 2.52 16.27 19.03 91.88 49.91 -64.90 -41.22 0.33 0.00 99.67 0.08 0.03 0.17 99.63 0.08 0.00 0.00 0.00 53 L H H 102.58 1.45 17.84 17.81 91.97 49.19 -64.78 -41.27 0.19 0.00 99.81 0.04 0.01 0.10 99.81 0.04 0.00 0.00 0.00 54 G H H 29.64 4.53 15.06 20.98 91.77 50.12 -64.30 -41.38 0.23 0.00 99.77 0.03 0.01 0.14 99.78 0.04 0.00 0.00 0.00 55 V H H 66.79 5.79 15.02 22.08 91.99 49.71 -64.63 -41.51 0.15 0.00 99.85 0.01 0.01 0.09 99.86 0.03 0.00 0.00 0.00 56 C H H 74.01 1.91 17.33 18.54 91.45 49.71 -63.75 -41.81 0.16 0.00 99.84 0.01 0.01 0.10 99.85 0.03 0.00 0.00 0.00 57 L H H 95.48 1.76 17.53 18.25 91.88 49.24 -64.73 -41.47 0.22 0.00 99.78 0.02 0.01 0.14 99.78 0.05 0.00 0.00 0.00 58 C H H 49.93 6.03 13.86 21.63 92.00 50.33 -64.52 -41.41 0.36 0.00 99.64 0.03 0.02 0.24 99.58 0.13 0.00 0.00 0.00 59 L H H 89.35 3.93 14.82 19.86 91.92 50.62 -64.55 -40.85 0.54 0.00 99.45 0.03 0.02 0.42 99.17 0.36 0.00 0.00 0.00 60 F H H 141.57 1.15 16.30 16.03 92.43 49.18 -65.86 -40.23 1.65 0.00 98.34 0.06 0.06 1.48 97.55 0.85 0.00 0.00 0.00 61 L H H 101.25 2.19 15.35 17.53 92.83 47.54 -68.50 -38.49 8.13 0.01 91.87 0.22 0.32 7.72 90.53 1.19 0.01 0.00 0.00 62 L H H 77.32 5.56 13.09 20.21 94.16 46.84 -75.69 -29.10 17.81 0.03 82.16 1.24 1.41 14.84 80.73 1.71 0.02 0.01 0.02 63 S H H 59.47 3.35 14.33 18.78 92.40 63.26 -62.33 -41.05 16.39 0.05 83.56 2.13 1.76 12.16 78.50 5.36 0.03 0.02 0.04 64 G H H 42.06 2.10 15.56 17.63 92.50 50.39 -65.01 -39.67 16.19 0.04 83.77 2.07 1.41 12.20 78.49 5.77 0.02 0.02 0.03 65 W H H 138.71 3.01 15.03 18.53 92.90 49.98 -66.15 -40.75 8.90 0.04 91.07 1.97 1.02 5.64 85.37 5.96 0.01 0.02 0.02 66 Y H H 122.69 3.09 15.23 19.10 92.73 50.22 -65.29 -40.59 5.71 0.03 94.27 1.41 0.75 3.49 92.34 1.97 0.01 0.01 0.01 67 G H H 36.29 2.79 14.95 18.47 92.02 51.63 -63.32 -41.18 4.23 0.01 95.76 0.99 0.46 2.48 95.22 0.84 0.00 0.00 0.01 68 E H H 109.41 2.41 15.57 18.17 92.39 50.69 -65.36 -40.32 1.52 0.00 98.47 0.42 0.16 0.76 98.29 0.36 0.00 0.00 0.00 69 V H H 80.02 3.05 15.36 19.03 92.29 50.02 -65.08 -41.75 0.93 0.00 99.07 0.21 0.08 0.51 98.93 0.26 0.00 0.00 0.00 70 L H H 96.20 2.06 16.01 17.90 92.12 49.21 -64.49 -41.51 0.65 0.00 99.35 0.12 0.05 0.38 99.26 0.19 0.00 0.00 0.00 71 L H H 90.54 2.51 15.50 18.26 92.09 49.72 -64.54 -41.48 0.48 0.00 99.52 0.08 0.03 0.27 99.51 0.11 0.00 0.00 0.00 72 S H H 55.44 3.08 14.88 18.69 92.12 50.26 -64.56 -41.25 0.73 0.00 99.26 0.10 0.04 0.46 99.30 0.10 0.00 0.00 0.00 73 Y H H 129.52 2.02 15.76 17.52 92.18 49.39 -64.69 -41.09 0.53 0.00 99.47 0.07 0.03 0.32 99.49 0.09 0.00 0.00 0.00 74 G H H 37.51 2.28 15.04 17.61 91.85 50.83 -63.94 -41.19 0.49 0.00 99.51 0.07 0.03 0.27 99.56 0.08 0.00 0.00 0.00 75 R H H 132.79 2.37 14.99 17.69 92.16 50.19 -65.18 -40.57 0.42 0.00 99.58 0.04 0.02 0.25 99.63 0.06 0.00 0.00 0.00 76 Q H H 101.13 2.50 14.63 17.63 91.95 50.84 -64.75 -41.04 0.49 0.00 99.51 0.05 0.02 0.30 99.55 0.07 0.00 0.00 0.00 77 V H H 88.65 1.64 15.05 16.18 91.79 49.88 -64.34 -41.73 0.53 0.00 99.47 0.07 0.03 0.32 99.47 0.12 0.00 0.00 0.00 78 I H H 99.21 1.78 14.64 16.23 91.87 49.20 -64.60 -41.67 0.52 0.00 99.48 0.07 0.03 0.31 99.37 0.22 0.00 0.00 0.00 79 F H H 111.13 2.76 13.33 17.05 92.17 49.74 -65.36 -40.79 1.05 0.00 98.95 0.14 0.06 0.69 98.72 0.39 0.00 0.00 0.00 80 L H H 94.45 2.11 12.93 15.59 92.15 50.38 -64.98 -40.19 2.20 0.00 97.79 0.26 0.15 1.54 97.33 0.71 0.00 0.00 0.00 81 A H H 69.46 1.44 12.38 13.85 92.36 51.44 -65.46 -38.92 5.77 0.01 94.21 0.83 0.55 3.94 93.30 1.36 0.00 0.00 0.01 82 L H H 115.57 1.60 10.76 12.97 94.56 50.17 -71.31 -30.72 17.17 0.09 82.74 3.23 2.03 11.55 80.88 2.20 0.02 0.04 0.05 83 A H H 78.90 2.33 8.92 12.70 97.27 57.27 -75.99 -19.98 37.52 0.41 62.07 12.08 5.06 20.65 59.69 2.10 0.02 0.15 0.25 84 K C C 158.79 1.28 8.85 11.10 102.74 72.36 -81.80 6.69 67.84 0.32 31.84 42.60 1.54 21.33 32.92 1.27 0.00 0.12 0.21 85 G C C 56.11 2.20 11.54 14.98 107.19 -15.38 58.49 8.58 99.98 0.01 0.01 99.91 0.03 0.04 0.01 0.00 0.00 0.00 0.00