# 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 105.63 6.86 10.83 19.11 114.70 -150.22 -89.93 134.05 99.96 0.02 0.02 99.91 0.05 0.03 0.01 0.00 0.00 0.01 0.00 1 Q C C 125.90 2.71 10.62 14.85 111.34 -133.79 -86.33 131.87 87.48 1.77 10.75 83.59 0.96 3.58 9.04 1.16 0.00 0.81 0.86 2 R C C 160.64 3.00 9.62 14.31 102.74 -133.42 -75.90 -11.15 61.18 1.67 37.15 40.68 9.22 11.08 33.32 4.17 0.01 0.79 0.75 3 G H H 45.22 3.93 10.93 16.21 100.41 54.30 -66.77 -35.42 45.76 0.87 53.36 25.10 9.50 12.44 45.89 6.24 0.02 0.41 0.40 4 S H H 66.62 3.43 11.69 16.38 98.76 59.44 -71.64 -35.54 33.62 0.73 65.65 20.81 5.98 8.18 57.55 6.81 0.01 0.37 0.29 5 S H H 65.79 4.08 12.54 17.84 97.37 56.81 -72.89 -30.40 27.36 0.72 71.91 18.10 4.49 6.20 65.19 5.38 0.01 0.37 0.26 6 I H H 89.35 5.59 12.06 19.02 95.70 60.29 -70.61 -34.66 20.27 0.54 79.19 12.97 3.79 4.81 75.08 2.90 0.01 0.27 0.17 7 T H H 72.49 3.74 14.16 18.85 95.20 56.17 -68.01 -39.37 14.21 0.24 85.55 9.83 2.23 2.77 83.58 1.40 0.00 0.11 0.07 8 K H H 118.59 2.58 15.90 18.63 93.74 52.35 -67.03 -38.94 9.08 0.17 90.75 5.78 1.38 2.46 89.10 1.15 0.00 0.08 0.05 9 V H H 68.49 5.86 14.03 21.12 92.88 50.82 -66.12 -40.73 5.58 0.14 94.28 3.21 0.81 1.81 93.14 0.93 0.00 0.08 0.03 10 V H H 75.26 4.74 15.14 20.91 92.58 49.83 -65.44 -41.13 4.23 0.12 95.66 2.44 0.62 1.33 94.82 0.71 0.00 0.06 0.02 11 R H H 141.77 1.94 17.39 18.88 92.18 49.95 -64.86 -40.96 4.65 0.13 95.22 2.51 0.60 1.60 94.60 0.60 0.00 0.07 0.03 12 R H H 122.80 3.41 16.83 20.67 92.34 49.26 -65.75 -40.68 3.33 0.04 96.63 1.38 0.43 1.39 96.32 0.44 0.00 0.02 0.01 13 A H H 41.32 6.72 14.71 23.05 92.19 51.00 -64.53 -41.29 2.58 0.02 97.40 1.04 0.32 1.05 97.18 0.39 0.00 0.01 0.01 14 A H H 55.48 3.16 17.06 20.66 92.03 50.75 -64.22 -41.01 2.43 0.02 97.55 0.87 0.26 1.11 97.32 0.42 0.00 0.01 0.00 15 L H H 93.81 2.13 17.95 19.44 92.14 49.19 -65.59 -40.47 2.57 0.02 97.42 0.84 0.28 1.24 97.17 0.45 0.00 0.01 0.00 16 A H H 45.01 5.34 15.15 22.02 92.12 50.57 -65.31 -40.59 3.10 0.02 96.88 0.98 0.36 1.51 96.72 0.42 0.00 0.01 0.01 17 R H H 125.26 4.16 16.66 21.66 92.16 51.43 -64.56 -40.64 3.20 0.02 96.78 1.00 0.41 1.53 96.64 0.40 0.00 0.01 0.00 18 S H H 64.37 2.18 17.54 19.27 92.33 50.31 -65.11 -40.12 3.93 0.02 96.05 1.38 0.43 1.81 95.91 0.45 0.00 0.01 0.01 19 T H H 73.57 3.43 16.72 20.53 92.43 49.07 -65.84 -40.85 3.24 0.02 96.74 1.13 0.40 1.50 96.49 0.47 0.01 0.01 0.01 20 R H H 123.99 5.04 16.25 22.22 92.17 50.44 -64.96 -40.74 2.76 0.02 97.22 0.89 0.33 1.34 97.02 0.40 0.01 0.01 0.01 21 N H H 89.13 2.95 17.47 20.60 92.26 50.13 -65.63 -40.02 2.94 0.02 97.04 0.88 0.35 1.45 96.93 0.37 0.00 0.01 0.01 22 A H H 57.64 2.78 17.43 20.27 92.21 50.84 -65.20 -40.70 2.88 0.02 97.10 0.85 0.35 1.43 96.98 0.38 0.01 0.01 0.00 23 A H H 45.47 5.39 15.91 22.65 92.18 50.93 -64.74 -40.90 2.84 0.02 97.14 0.84 0.32 1.44 96.97 0.41 0.01 0.01 0.01 24 I H H 82.24 4.34 16.92 22.09 92.12 49.90 -65.09 -41.05 2.63 0.02 97.35 0.86 0.32 1.28 97.05 0.46 0.01 0.01 0.01 25 A H H 57.72 3.01 17.43 20.61 92.04 50.84 -64.52 -41.01 2.63 0.02 97.34 0.83 0.30 1.34 97.01 0.50 0.01 0.01 0.01 26 Y H H 122.99 3.82 17.19 21.55 92.60 49.52 -66.28 -40.31 3.01 0.03 96.96 0.87 0.36 1.64 96.53 0.56 0.01 0.01 0.01 27 E H H 95.63 5.45 16.66 23.08 92.48 49.98 -65.28 -40.51 3.42 0.03 96.55 0.99 0.43 1.88 96.09 0.58 0.01 0.01 0.01 28 V H H 76.81 3.98 17.16 21.63 92.48 49.59 -65.65 -41.46 4.78 0.05 95.17 1.50 0.69 2.56 94.47 0.72 0.01 0.02 0.02 29 T H H 78.64 3.00 18.57 21.53 92.62 48.73 -66.06 -41.27 6.35 0.07 93.58 2.22 0.93 3.22 92.68 0.87 0.01 0.03 0.03 30 V H H 68.01 6.41 17.16 24.38 92.80 49.04 -66.06 -40.82 8.02 0.07 91.92 2.28 1.17 4.53 90.81 1.13 0.02 0.03 0.03 31 N H H 82.82 5.26 18.27 24.16 92.75 50.27 -66.35 -39.60 11.64 0.07 88.29 2.90 1.57 7.04 87.10 1.31 0.02 0.02 0.04 32 G H H 34.39 4.14 18.46 23.01 92.44 51.41 -64.10 -41.22 12.69 0.05 87.26 2.91 1.57 8.08 85.55 1.82 0.01 0.02 0.03 33 A H H 50.63 5.72 18.44 24.92 92.47 50.70 -65.48 -40.32 7.97 0.05 91.98 1.91 1.12 4.92 89.74 2.25 0.02 0.02 0.02 34 N H H 76.88 8.50 18.34 27.35 92.23 51.50 -65.17 -40.25 8.31 0.06 91.64 1.99 1.05 5.32 89.08 2.49 0.02 0.03 0.03 35 L H H 88.37 5.37 20.10 25.63 92.04 49.54 -64.88 -41.39 6.50 0.06 93.44 1.60 0.91 4.11 91.05 2.25 0.02 0.03 0.03 36 I H H 96.04 3.43 22.34 25.28 91.82 48.55 -64.68 -42.00 4.51 0.06 95.44 1.07 0.62 2.84 93.69 1.70 0.03 0.03 0.02 37 G H H 25.22 8.89 18.93 28.76 92.13 49.98 -64.63 -41.51 4.73 0.03 95.24 0.94 0.53 3.14 93.22 2.12 0.02 0.02 0.01 38 A H H 43.73 9.18 19.29 29.09 91.81 51.09 -64.77 -40.98 4.81 0.04 95.14 0.85 0.55 3.29 91.38 3.85 0.03 0.02 0.02 39 G H H 34.53 5.73 20.97 26.82 91.96 51.25 -64.50 -40.49 7.83 0.06 92.10 1.17 0.80 5.63 86.65 5.65 0.04 0.03 0.03 40 M H H 93.44 5.64 21.43 27.51 92.23 49.71 -67.21 -38.24 13.53 0.19 86.28 2.61 1.73 9.20 78.41 7.78 0.08 0.11 0.08 41 A H H 44.23 10.89 17.93 29.20 92.65 53.50 -66.67 -36.42 25.74 0.76 73.50 7.31 4.07 15.42 64.57 7.70 0.15 0.44 0.34 42 A H H 60.18 7.35 19.54 27.04 93.12 53.62 -69.65 -30.81 41.97 2.06 55.96 15.46 7.29 21.38 46.20 7.42 0.20 1.10 0.94 43 S C H 66.63 5.02 19.43 24.76 97.62 59.05 -72.36 -27.67 54.60 2.68 42.71 19.01 11.48 25.82 32.74 8.16 0.22 1.29 1.28 44 G C T 36.40 9.18 17.29 26.69 101.37 47.09 -58.50 -27.51 64.46 2.49 33.05 23.53 12.86 29.27 23.35 8.51 0.11 1.19 1.19 45 V C C 76.08 9.43 16.71 26.48 97.54 58.80 -74.62 -30.09 66.06 4.52 29.42 25.20 17.48 24.87 21.04 7.04 0.17 2.11 2.08 46 G C H 39.03 5.85 19.20 25.40 98.01 56.53 -66.57 -39.51 53.22 3.34 43.44 26.01 13.58 15.83 36.52 4.86 0.15 1.54 1.50 47 V H H 73.89 7.14 19.23 26.82 95.15 51.53 -68.01 -39.33 26.86 0.78 72.36 14.32 6.69 7.41 68.06 2.82 0.02 0.39 0.29 48 P H H 49.26 12.22 17.27 29.67 93.32 52.64 -65.91 -38.71 17.70 0.46 81.84 8.96 2.69 6.91 78.15 2.86 0.02 0.24 0.17 49 A H H 50.64 7.45 19.57 27.55 92.82 52.99 -65.16 -41.11 8.05 0.14 91.81 3.40 1.22 3.74 89.03 2.46 0.01 0.07 0.06 50 I H H 91.24 3.86 22.21 25.83 92.32 49.57 -65.84 -41.01 2.83 0.03 97.14 0.93 0.37 1.42 96.37 0.88 0.00 0.01 0.01 51 G H H 19.81 10.31 18.43 29.80 92.28 51.42 -64.24 -42.12 2.13 0.01 97.86 0.60 0.23 1.13 97.53 0.49 0.00 0.01 0.00 52 V H H 49.57 12.01 19.05 31.29 91.89 49.85 -64.13 -41.64 0.90 0.00 99.10 0.21 0.08 0.48 98.97 0.24 0.00 0.00 0.00 53 A H H 51.73 5.12 21.05 26.58 91.75 51.21 -63.95 -41.39 0.64 0.00 99.36 0.11 0.04 0.38 99.26 0.20 0.00 0.00 0.00 54 M H H 98.24 4.27 22.02 26.20 92.04 49.43 -65.62 -41.15 1.06 0.00 98.94 0.10 0.06 0.81 98.81 0.22 0.00 0.00 0.00 55 C H H 38.15 11.63 18.38 30.57 92.05 49.52 -64.74 -42.40 1.53 0.00 98.47 0.11 0.08 1.23 98.39 0.18 0.00 0.00 0.00 56 F H H 85.34 8.94 19.91 29.35 91.69 49.55 -63.95 -41.76 0.93 0.00 99.06 0.12 0.07 0.56 99.15 0.10 0.00 0.00 0.00 57 S H H 54.73 3.78 20.98 24.70 91.49 50.64 -64.02 -41.30 0.46 0.00 99.54 0.06 0.02 0.26 99.57 0.08 0.00 0.00 0.00 58 S H H 50.10 5.97 19.94 26.41 92.17 49.84 -65.50 -40.73 0.40 0.00 99.60 0.04 0.02 0.25 99.61 0.08 0.00 0.00 0.00 59 Y H H 74.84 12.54 17.18 30.00 92.15 50.27 -64.82 -41.18 0.35 0.00 99.65 0.03 0.01 0.22 99.67 0.07 0.00 0.00 0.00 60 M H H 88.94 5.62 19.39 25.65 91.67 50.11 -63.95 -41.66 0.37 0.00 99.62 0.04 0.02 0.22 99.65 0.07 0.00 0.00 0.00 61 L H H 89.51 2.40 20.44 21.69 91.78 49.37 -64.43 -41.62 0.53 0.00 99.47 0.05 0.02 0.35 99.43 0.15 0.00 0.00 0.00 62 A H H 28.89 7.59 15.55 25.20 91.71 50.46 -64.47 -39.84 0.93 0.00 99.07 0.07 0.04 0.69 98.89 0.30 0.00 0.00 0.00 63 A H H 32.70 10.55 12.69 24.69 91.83 52.46 -65.51 -36.25 2.21 0.00 97.79 0.11 0.11 1.84 97.27 0.67 0.00 0.00 0.00 64 A H H 75.26 2.29 15.10 17.86 91.63 54.69 -68.42 -31.11 9.36 0.00 90.63 0.21 0.31 8.92 89.83 0.73 0.00 0.00 0.00 65 R H H 166.33 1.36 14.77 15.69 95.74 43.25 -82.21 -28.79 16.46 0.01 83.52 0.34 1.30 14.62 83.25 0.46 0.02 0.00 0.01 66 Q C C 82.57 5.70 11.16 18.79 113.69 23.73 -134.13 86.76 99.78 0.08 0.14 83.68 15.87 0.23 0.10 0.03 0.00 0.02 0.09 67 P H G 93.38 4.43 11.17 17.92 93.64 -169.92 -62.51 -28.08 37.40 0.06 62.54 2.34 1.89 32.04 7.95 55.71 0.00 0.03 0.04 68 N H G 126.68 1.13 15.17 15.61 92.70 60.04 -77.50 -8.63 35.76 0.08 64.17 2.14 1.95 30.52 10.60 54.67 0.00 0.04 0.06 69 M H G 51.05 10.30 11.30 23.25 94.97 75.37 -79.25 -16.50 18.46 0.12 81.42 9.00 2.15 6.51 28.50 53.72 0.00 0.07 0.05 70 S H H 46.59 12.08 12.53 25.18 92.40 82.22 -59.88 -41.85 6.65 0.03 93.32 1.74 0.64 3.56 72.07 21.96 0.00 0.02 0.01 71 A H H 75.51 1.76 18.43 19.42 91.54 51.21 -65.19 -36.66 5.27 0.02 94.72 0.52 0.33 3.74 73.23 22.16 0.00 0.01 0.00 72 K H H 123.98 2.76 18.41 21.21 92.37 50.31 -68.53 -36.96 7.61 0.02 92.37 0.58 0.47 5.60 70.88 22.45 0.01 0.01 0.01 73 L H H 30.39 15.96 13.03 29.28 93.04 51.23 -68.22 -39.41 6.92 0.01 93.06 0.58 0.65 5.39 88.71 4.64 0.01 0.00 0.01 74 L H H 73.36 9.24 17.37 27.29 91.98 54.66 -63.25 -41.71 1.71 0.00 98.29 0.46 0.20 0.90 97.26 1.18 0.00 0.00 0.00 75 P H H 76.37 2.37 20.75 22.07 91.72 50.58 -63.96 -40.94 1.04 0.00 98.95 0.29 0.07 0.60 97.88 1.14 0.00 0.00 0.00 76 Y H H 103.16 6.73 19.89 27.21 92.13 49.15 -65.76 -40.54 0.49 0.00 99.51 0.10 0.03 0.31 98.47 1.08 0.00 0.00 0.00 77 C H H 21.59 16.83 15.38 32.44 91.94 51.03 -64.09 -42.03 0.61 0.01 99.38 0.12 0.05 0.38 99.14 0.30 0.00 0.00 0.00 78 I H H 86.93 5.42 21.17 27.02 91.69 49.21 -64.44 -42.05 0.40 0.00 99.59 0.05 0.03 0.28 99.56 0.08 0.00 0.00 0.00 79 L H H 95.18 2.29 23.13 24.03 91.55 48.98 -64.23 -42.31 0.33 0.00 99.66 0.04 0.02 0.22 99.63 0.09 0.00 0.00 0.00 80 G H H 13.94 12.84 17.86 31.82 91.74 50.16 -63.98 -42.01 0.56 0.00 99.44 0.06 0.02 0.39 99.39 0.13 0.00 0.00 0.00 81 F H H 61.43 14.55 18.81 33.08 91.90 50.02 -64.19 -41.38 0.69 0.00 99.31 0.06 0.04 0.50 99.23 0.17 0.00 0.00 0.00 82 A H H 56.75 3.41 22.76 25.72 91.43 51.11 -63.50 -42.19 0.83 0.00 99.17 0.10 0.05 0.56 99.16 0.14 0.00 0.00 0.00 83 L H H 85.58 4.04 23.22 27.01 91.73 48.55 -65.14 -41.36 0.85 0.00 99.15 0.14 0.06 0.53 99.13 0.14 0.00 0.00 0.00 84 S H H 14.50 17.31 16.92 34.58 91.55 50.93 -64.10 -41.79 0.54 0.00 99.46 0.10 0.03 0.30 99.48 0.09 0.00 0.00 0.00 85 E H H 81.35 10.32 20.95 31.29 91.72 51.29 -63.57 -41.03 0.41 0.00 99.59 0.05 0.02 0.25 99.62 0.06 0.00 0.00 0.00 86 A H H 58.66 2.28 23.52 24.18 91.49 50.57 -63.63 -42.27 0.38 0.00 99.62 0.05 0.02 0.22 99.66 0.05 0.00 0.00 0.00 87 L H H 58.53 9.15 20.81 30.65 91.83 49.83 -65.06 -41.22 0.18 0.00 99.82 0.02 0.01 0.11 99.83 0.03 0.00 0.00 0.00 88 A H H 15.26 17.91 16.00 34.15 91.45 52.25 -63.12 -41.78 0.17 0.00 99.83 0.02 0.01 0.10 99.85 0.03 0.00 0.00 0.00 89 L H H 90.19 3.88 22.46 26.14 91.38 50.52 -64.10 -41.51 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 90 F H H 113.95 2.61 22.98 24.45 91.52 49.66 -64.36 -42.08 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 91 T H H 21.27 15.30 16.94 32.89 91.65 50.75 -64.20 -42.23 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 92 L H H 60.48 11.55 18.83 30.69 91.83 50.46 -63.91 -41.43 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 93 L H H 96.28 2.15 22.29 22.91 91.42 50.25 -64.27 -42.08 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 94 I H H 69.78 6.19 19.66 26.75 91.87 49.02 -65.07 -41.39 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 95 A H H 18.17 15.00 14.72 30.60 91.53 51.43 -63.42 -41.51 0.18 0.00 99.82 0.01 0.00 0.11 99.82 0.05 0.00 0.00 0.00 96 L H H 85.76 4.22 18.87 23.57 91.65 50.50 -64.07 -41.46 0.39 0.00 99.61 0.04 0.02 0.26 99.53 0.15 0.00 0.00 0.00 97 L H H 92.77 2.24 18.40 19.98 91.80 50.25 -64.87 -40.95 1.07 0.00 98.93 0.12 0.07 0.73 98.67 0.40 0.00 0.00 0.00 98 E H H 66.22 9.11 14.14 24.64 92.14 49.73 -66.34 -39.17 3.31 0.01 96.68 0.33 0.23 2.43 95.92 1.08 0.00 0.01 0.00 99 L H H 72.50 8.16 12.88 22.37 92.40 50.98 -66.06 -38.20 8.74 0.04 91.21 1.16 0.82 6.42 89.17 2.38 0.01 0.02 0.02 100 F H H 144.61 1.48 14.19 15.46 93.69 49.61 -70.34 -33.89 19.16 0.24 80.60 4.32 2.44 12.57 76.75 3.65 0.03 0.11 0.13 101 V H H 98.53 2.62 12.16 15.72 96.08 50.99 -76.49 -29.26 37.73 0.71 61.56 12.12 5.32 21.00 57.55 3.28 0.05 0.31 0.37 102 F C C 116.25 6.05 9.08 16.63 101.81 48.83 -89.55 1.17 64.35 0.72 34.93 41.83 1.93 19.38 33.97 2.15 0.00 0.30 0.44 103 S C C 78.28 3.61 12.32 17.53 106.78 105.61 -78.92 72.78 99.96 0.02 0.02 99.89 0.04 0.04 0.01 0.00 0.00 0.01 0.00