# 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 108.50 5.23 11.70 18.37 110.77 -152.74 -90.03 120.63 99.66 0.15 0.19 99.63 0.07 0.07 0.13 0.01 0.00 0.06 0.03 1 L C C 101.80 4.20 9.76 15.49 103.08 -147.51 -81.49 -13.30 58.70 1.59 39.71 50.62 1.28 6.43 38.25 1.98 0.00 0.85 0.60 2 T H H 84.55 2.78 10.49 14.47 101.42 75.93 -75.24 -32.56 42.91 1.12 55.97 29.72 4.95 8.00 53.92 2.44 0.00 0.56 0.41 3 W H H 172.56 2.04 10.63 13.60 95.18 52.26 -67.73 -35.13 15.95 0.49 83.56 8.75 2.89 5.60 78.84 3.44 0.02 0.31 0.16 4 I H H 104.77 2.15 11.61 14.54 94.08 51.46 -68.32 -38.69 8.71 0.31 90.98 4.27 1.43 3.60 87.32 3.06 0.01 0.22 0.08 5 S H H 54.78 3.70 11.69 16.89 94.56 52.14 -67.60 -39.04 6.73 0.28 92.99 3.33 1.02 2.88 90.29 2.21 0.01 0.19 0.08 6 F H H 113.53 3.05 12.73 16.79 93.33 52.21 -65.65 -40.81 2.08 0.04 97.88 0.78 0.28 1.00 97.36 0.55 0.00 0.02 0.01 7 W H H 144.18 2.46 13.79 16.79 92.65 50.92 -65.57 -40.44 0.99 0.01 99.00 0.28 0.10 0.53 98.82 0.26 0.00 0.01 0.00 8 S H H 56.30 2.98 13.81 17.74 92.60 50.93 -65.26 -40.55 0.83 0.01 99.17 0.19 0.06 0.48 99.07 0.19 0.00 0.00 0.00 9 L H H 88.74 2.81 14.30 17.80 92.44 50.80 -65.36 -41.06 0.36 0.00 99.64 0.06 0.02 0.21 99.62 0.08 0.00 0.00 0.00 10 I H H 87.65 3.46 14.43 18.78 92.24 50.25 -64.89 -41.47 0.18 0.00 99.82 0.02 0.01 0.11 99.82 0.04 0.00 0.00 0.00 11 F H H 110.91 3.27 14.65 18.77 92.14 50.12 -65.11 -41.09 0.15 0.00 99.85 0.02 0.01 0.09 99.86 0.03 0.00 0.00 0.00 12 W H H 142.84 2.31 15.32 17.79 92.18 50.35 -65.12 -41.22 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 13 L H H 85.64 3.29 15.20 19.17 92.13 50.14 -64.80 -41.45 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.02 0.00 0.00 0.00 14 I H H 78.69 4.94 14.45 20.64 92.00 49.86 -64.99 -41.28 0.13 0.00 99.87 0.01 0.00 0.09 99.87 0.03 0.00 0.00 0.00 15 L H H 87.98 3.13 15.45 19.26 91.93 50.11 -64.89 -40.91 0.25 0.00 99.75 0.02 0.01 0.17 99.73 0.07 0.00 0.00 0.00 16 I H H 91.43 2.59 15.64 18.41 92.23 49.64 -65.37 -40.94 0.44 0.00 99.56 0.04 0.02 0.31 99.42 0.22 0.00 0.00 0.00 17 I H H 76.55 5.19 13.68 20.39 92.30 50.25 -65.78 -39.82 0.99 0.00 99.00 0.07 0.05 0.78 98.33 0.76 0.00 0.00 0.00 18 L H H 83.18 5.35 13.19 19.92 92.92 50.07 -67.79 -36.38 3.24 0.01 96.76 0.17 0.16 2.81 95.27 1.56 0.01 0.00 0.00 19 V H H 99.95 2.16 14.09 16.50 94.26 50.35 -72.85 -32.39 10.69 0.02 89.29 0.51 0.70 9.41 87.98 1.36 0.02 0.01 0.01 20 L H H 103.49 3.22 12.85 16.91 98.71 50.85 -84.08 -21.05 31.00 0.28 68.72 4.06 6.44 21.35 66.32 1.45 0.09 0.09 0.21 21 K C C 102.39 5.98 10.98 18.58 110.01 61.27 -92.98 101.78 85.12 0.65 14.23 56.48 21.83 5.93 13.30 1.80 0.00 0.22 0.45 22 P H H 83.65 5.07 12.03 18.67 101.08 -156.53 -70.88 -18.46 49.41 0.48 50.11 20.61 7.88 21.31 36.41 13.25 0.02 0.22 0.30 23 K H H 140.45 2.72 13.85 17.44 100.93 63.33 -80.10 -16.49 43.33 0.42 56.26 11.34 8.20 23.90 44.26 11.78 0.06 0.19 0.26 24 N H H 68.96 7.12 11.94 20.44 101.45 59.14 -83.84 -11.91 35.90 0.65 63.45 20.32 5.37 10.57 53.61 9.50 0.01 0.32 0.30 25 F H H 114.64 4.96 14.05 20.27 94.29 88.12 -65.99 -37.24 8.33 0.18 91.48 5.07 1.46 2.34 89.48 1.50 0.00 0.10 0.05 26 I H H 94.87 3.76 15.88 20.09 92.69 52.11 -65.24 -40.56 2.83 0.10 97.07 1.38 0.39 1.10 96.21 0.81 0.00 0.08 0.01 27 S H H 48.83 5.02 15.32 21.74 92.32 50.98 -65.11 -40.94 1.79 0.11 98.11 0.92 0.22 0.72 97.34 0.69 0.00 0.10 0.01 28 I H H 75.36 5.83 15.55 22.56 92.28 50.44 -64.69 -41.60 0.73 0.02 99.25 0.27 0.08 0.34 98.98 0.30 0.00 0.02 0.00 29 L H H 80.56 5.14 16.77 22.70 91.86 50.25 -64.32 -41.92 0.52 0.01 99.47 0.15 0.05 0.28 99.35 0.17 0.00 0.00 0.00 30 F H H 104.31 4.70 17.38 22.55 92.08 49.73 -65.14 -41.31 0.57 0.01 99.43 0.12 0.05 0.33 99.37 0.13 0.00 0.00 0.00 31 M H H 84.74 4.73 17.47 22.93 92.14 50.25 -64.68 -40.88 0.69 0.00 99.31 0.15 0.05 0.39 99.29 0.11 0.00 0.00 0.00 32 S H H 45.88 5.31 17.10 23.50 92.09 50.89 -64.20 -41.02 0.82 0.00 99.17 0.19 0.06 0.45 99.20 0.09 0.00 0.00 0.00 33 E H H 78.86 6.94 16.79 24.27 92.17 51.06 -64.81 -40.87 0.62 0.00 99.38 0.14 0.05 0.35 99.39 0.07 0.00 0.00 0.00 34 L H H 84.22 4.32 17.84 22.80 92.08 50.67 -64.79 -40.66 0.43 0.00 99.57 0.10 0.03 0.23 99.59 0.05 0.00 0.00 0.00 35 T H H 69.27 3.85 17.88 21.76 91.97 50.45 -64.84 -41.33 0.35 0.00 99.65 0.08 0.02 0.18 99.67 0.05 0.00 0.00 0.00 36 W H H 118.31 5.65 17.01 23.48 92.17 50.04 -64.85 -41.73 0.19 0.00 99.81 0.03 0.01 0.11 99.82 0.03 0.00 0.00 0.00 37 L H H 74.65 6.44 16.76 23.72 91.83 50.26 -64.52 -41.04 0.14 0.00 99.86 0.02 0.00 0.08 99.88 0.02 0.00 0.00 0.00 38 A H H 55.24 3.31 17.69 21.27 91.95 50.75 -64.30 -41.24 0.16 0.00 99.84 0.02 0.01 0.10 99.85 0.03 0.00 0.00 0.00 39 L H H 84.25 3.85 17.71 21.95 91.93 49.82 -64.78 -41.48 0.20 0.00 99.80 0.01 0.01 0.13 99.81 0.03 0.00 0.00 0.00 40 Y H H 97.76 7.36 16.32 24.35 92.15 49.73 -65.01 -41.17 0.35 0.00 99.65 0.03 0.02 0.23 99.68 0.05 0.00 0.00 0.00 41 C H H 63.23 4.31 17.25 22.28 91.88 50.74 -64.45 -41.56 0.45 0.00 99.55 0.04 0.02 0.29 99.57 0.07 0.00 0.00 0.00 42 L H H 91.79 2.76 18.39 20.77 92.03 50.09 -64.85 -41.31 0.52 0.00 99.48 0.05 0.02 0.35 99.42 0.15 0.00 0.00 0.00 43 S H H 46.22 6.04 15.95 23.46 92.04 50.97 -64.80 -40.64 0.91 0.00 99.09 0.09 0.05 0.68 98.83 0.36 0.00 0.00 0.00 44 L H H 74.27 6.91 15.49 23.18 91.95 50.61 -64.92 -40.89 1.57 0.01 98.42 0.14 0.09 1.23 97.75 0.78 0.00 0.00 0.00 45 L H H 94.91 2.57 17.31 19.86 92.31 50.27 -65.18 -41.03 2.82 0.01 97.17 0.26 0.19 2.22 95.76 1.57 0.01 0.01 0.00 46 F H H 112.31 3.09 16.19 19.65 92.67 49.46 -66.50 -38.66 5.58 0.03 94.39 0.64 0.48 4.21 90.04 4.59 0.01 0.02 0.01 47 G H H 26.31 7.86 12.05 21.67 92.79 54.02 -66.89 -32.96 16.35 0.07 83.59 1.65 1.22 12.82 77.42 6.79 0.03 0.03 0.03 48 A H H 65.93 4.32 13.31 18.70 93.95 56.51 -72.16 -29.17 29.18 0.28 70.55 4.54 3.02 21.23 62.98 7.88 0.05 0.14 0.15 49 I H H 117.41 2.07 13.76 16.13 98.79 53.45 -80.67 -25.27 43.31 1.48 55.22 15.08 8.50 21.74 47.65 5.49 0.11 0.69 0.75 50 Y C C 141.42 3.78 11.44 16.56 104.15 49.81 -93.01 10.01 67.87 1.96 30.17 30.94 14.34 22.70 26.18 3.99 0.03 0.89 0.93 51 C C C 80.37 4.93 11.02 17.52 106.45 80.67 -85.02 81.39 81.96 1.12 16.92 45.92 13.57 21.95 14.16 3.30 0.00 0.54 0.56 52 D C C 88.71 4.32 11.82 17.63 104.98 122.57 -82.34 45.07 71.71 1.18 27.12 48.23 12.38 9.71 25.17 3.42 0.00 0.50 0.58 53 I H H 109.99 3.49 12.46 17.20 96.04 59.55 -69.62 -32.85 35.91 0.82 63.27 16.93 7.80 11.99 58.84 3.68 0.04 0.41 0.32 54 T H H 79.39 3.36 14.53 18.61 94.33 55.79 -67.76 -38.23 23.92 1.08 75.00 12.40 4.26 8.50 70.01 3.79 0.04 0.66 0.34 55 L H H 72.36 6.72 13.57 21.66 92.95 52.36 -66.04 -39.50 12.63 0.86 86.51 6.78 2.36 4.57 81.24 4.19 0.03 0.61 0.22 56 L H H 81.64 5.59 15.05 21.82 92.74 51.69 -65.45 -40.02 9.12 1.00 89.88 5.21 1.57 3.28 85.47 3.47 0.02 0.79 0.22 57 S H H 56.24 3.28 17.01 20.71 92.29 51.11 -65.16 -40.81 9.38 1.30 89.32 5.24 1.50 3.62 85.50 2.83 0.03 1.04 0.25 58 I H H 79.37 5.01 17.27 22.90 92.76 50.30 -66.06 -40.89 6.95 1.04 92.01 3.72 1.05 2.87 89.66 1.64 0.02 0.89 0.14 59 S H H 36.36 8.79 15.04 25.29 92.49 52.68 -64.08 -41.87 4.88 0.83 94.29 2.66 0.68 1.94 92.74 1.11 0.02 0.77 0.09 60 F H H 113.31 4.00 18.12 22.69 92.12 50.73 -64.68 -41.02 2.93 0.66 96.41 1.44 0.41 1.31 95.27 0.87 0.01 0.65 0.05 61 F H H 117.14 3.30 18.60 21.85 92.14 50.13 -65.14 -41.77 2.08 0.51 97.40 1.05 0.29 0.93 96.50 0.68 0.01 0.50 0.04 62 I H H 74.13 7.22 17.44 25.41 92.02 48.88 -64.76 -42.42 2.08 0.41 97.51 0.92 0.30 1.01 96.75 0.59 0.01 0.37 0.04 63 L H H 76.25 7.25 17.47 25.48 92.17 49.65 -64.75 -40.86 2.59 0.39 97.02 1.09 0.38 1.30 96.19 0.63 0.01 0.35 0.05 64 G H H 34.47 3.64 18.75 22.81 91.77 50.16 -64.10 -41.92 4.08 0.40 95.52 1.42 0.54 2.26 94.67 0.68 0.02 0.34 0.06 65 V H H 72.34 4.53 19.57 24.10 92.15 48.55 -65.07 -41.89 4.43 0.45 95.12 1.66 0.63 2.34 94.12 0.77 0.01 0.39 0.07 66 A H H 34.70 8.16 16.92 26.55 91.89 50.81 -63.71 -41.53 5.70 0.41 93.88 1.98 0.83 3.10 92.73 0.92 0.02 0.35 0.07 67 G H H 32.05 4.80 18.32 24.09 91.91 51.18 -63.75 -41.29 7.79 0.44 91.78 2.44 1.00 4.48 90.44 1.14 0.01 0.41 0.07 68 L H H 87.17 3.22 19.46 22.44 92.06 50.13 -65.08 -41.67 6.60 0.61 92.79 2.61 1.01 3.27 91.04 1.38 0.01 0.59 0.09 69 E H H 88.90 5.90 18.04 24.49 92.00 50.38 -65.25 -41.19 6.04 0.70 93.27 2.53 0.80 2.95 91.74 1.24 0.01 0.66 0.09 70 F H H 98.00 6.12 17.40 24.18 92.34 48.87 -65.72 -40.99 6.77 0.70 92.54 2.89 0.89 3.18 91.24 1.07 0.01 0.64 0.09 71 S H H 55.93 3.40 18.12 21.86 92.24 51.35 -64.33 -41.28 6.31 0.48 93.21 2.46 0.74 3.19 92.39 0.75 0.01 0.40 0.07 72 F H H 110.28 3.32 18.44 21.55 92.24 49.44 -65.10 -41.43 3.20 0.22 96.57 1.24 0.40 1.52 96.21 0.43 0.00 0.17 0.03 73 G H H 27.54 6.05 15.88 23.25 91.82 51.51 -63.37 -41.74 2.15 0.08 97.76 0.87 0.24 0.98 97.57 0.27 0.00 0.05 0.01 74 I H H 88.88 3.74 17.42 21.68 91.96 49.83 -64.69 -41.32 0.86 0.02 99.12 0.31 0.09 0.41 99.02 0.16 0.00 0.01 0.00 75 L H H 89.35 2.71 17.85 20.44 91.80 50.50 -64.20 -42.06 0.32 0.00 99.68 0.09 0.03 0.15 99.65 0.07 0.00 0.00 0.00 76 I H H 84.73 4.11 17.00 21.36 91.71 49.53 -64.41 -42.02 0.24 0.00 99.76 0.05 0.02 0.13 99.75 0.05 0.00 0.00 0.00 77 A H H 48.64 5.05 15.77 21.97 91.56 50.80 -63.62 -41.72 0.23 0.00 99.77 0.04 0.02 0.13 99.77 0.04 0.00 0.00 0.00 78 I H H 90.60 2.66 16.94 19.72 91.81 49.67 -64.54 -41.89 0.28 0.00 99.72 0.04 0.02 0.17 99.71 0.06 0.00 0.00 0.00 79 L H H 86.59 2.97 16.52 19.64 91.81 50.07 -64.36 -41.71 0.49 0.00 99.51 0.06 0.03 0.31 99.49 0.10 0.00 0.00 0.00 80 Y H H 113.49 4.48 15.38 20.66 92.06 49.48 -65.03 -40.87 1.43 0.01 98.57 0.19 0.10 0.97 98.47 0.25 0.00 0.00 0.00 81 K H H 110.61 3.29 15.32 19.39 92.32 50.48 -65.44 -39.57 4.33 0.03 95.64 0.69 0.39 2.99 95.32 0.58 0.01 0.01 0.01 82 N H H 91.91 2.29 15.52 17.87 93.31 50.03 -67.16 -38.01 10.01 0.08 89.91 1.87 1.15 6.74 89.09 1.05 0.02 0.04 0.04 83 L H H 89.43 3.67 14.33 18.78 93.48 50.37 -69.30 -37.43 16.80 0.19 83.01 4.75 2.77 9.36 81.22 1.69 0.03 0.08 0.09 84 N H H 87.35 4.25 13.21 18.64 95.87 52.62 -72.96 -29.68 28.18 0.43 71.38 12.26 4.82 11.72 68.00 2.78 0.02 0.19 0.21 85 E H H 120.83 2.60 13.68 16.99 96.19 58.71 -72.42 -29.83 36.21 0.54 63.25 15.74 6.26 14.65 58.42 4.41 0.03 0.26 0.25 86 S H H 66.60 3.01 13.10 17.03 99.65 56.89 -77.63 -26.78 45.38 0.87 53.75 23.81 6.66 15.51 48.65 4.55 0.02 0.42 0.39 87 L H H 95.09 4.44 11.77 17.56 98.80 61.82 -75.28 -24.54 46.90 1.39 51.71 26.70 10.14 10.96 47.01 3.95 0.03 0.65 0.57 88 N H H 93.34 3.74 12.75 17.74 97.67 63.25 -71.60 -31.85 47.06 0.88 52.06 32.09 6.63 8.18 49.16 3.18 0.00 0.43 0.32 89 T H H 81.30 2.60 12.92 16.36 94.93 66.08 -67.88 -38.40 29.38 0.50 70.12 15.12 5.59 9.95 63.03 5.83 0.02 0.26 0.20 90 D H H 92.42 2.32 13.90 16.64 94.65 53.26 -68.67 -36.70 25.51 0.45 74.04 12.83 4.38 9.41 66.63 6.30 0.02 0.25 0.18 91 L H H 82.76 4.66 11.83 17.98 94.40 54.56 -68.15 -37.10 22.82 0.38 76.80 10.85 4.56 8.55 68.98 6.68 0.02 0.20 0.16 92 N H H 95.06 3.07 13.05 17.20 95.06 54.91 -69.15 -34.02 27.49 0.37 72.14 13.34 4.92 10.28 66.12 4.98 0.02 0.18 0.17 93 N H H 107.77 1.91 13.60 15.70 96.31 51.98 -74.32 -27.90 32.21 0.39 67.40 13.93 6.42 12.96 61.67 4.63 0.03 0.17 0.20 94 N H H 97.51 3.13 12.75 16.89 98.37 56.82 -78.59 -22.91 37.57 0.34 62.09 14.58 8.28 15.25 57.77 3.77 0.02 0.13 0.19 95 N H H 87.49 4.08 12.35 17.68 99.35 57.79 -73.95 -22.96 37.64 0.40 61.96 20.88 6.58 10.70 58.05 3.43 0.01 0.16 0.21 96 N H H 98.25 2.62 13.47 16.84 95.14 78.82 -67.07 -35.95 21.24 0.25 78.51 10.00 4.04 8.13 74.42 3.17 0.01 0.11 0.12 97 N H H 94.10 2.55 14.28 17.25 93.77 52.86 -66.68 -38.00 11.21 0.12 88.67 4.88 1.86 4.86 85.67 2.60 0.01 0.06 0.05 98 Q H H 93.33 3.75 13.80 18.60 92.73 52.27 -65.56 -39.88 5.13 0.06 94.81 2.00 0.84 2.43 92.60 2.07 0.01 0.04 0.02 99 N H H 79.23 3.37 14.27 18.65 92.73 51.28 -65.43 -39.94 4.52 0.08 95.41 1.72 0.67 2.27 93.23 2.03 0.01 0.05 0.02 100 I H H 92.20 2.56 14.97 17.83 92.62 50.07 -65.38 -41.21 4.24 0.07 95.69 1.37 0.63 2.33 93.70 1.89 0.01 0.05 0.02 101 F H H 109.00 3.37 14.30 18.38 92.77 49.13 -66.33 -40.33 5.89 0.09 94.02 1.85 0.89 3.31 91.81 2.05 0.01 0.05 0.03 102 D H H 76.33 4.30 13.38 18.87 93.66 51.19 -66.52 -36.40 10.11 0.11 89.78 3.26 1.43 5.70 86.65 2.83 0.02 0.05 0.05 103 K H H 125.07 2.37 14.13 17.05 93.56 52.80 -67.45 -33.42 13.24 0.11 86.65 2.87 1.71 8.70 80.73 5.85 0.03 0.05 0.06 104 N H H 101.92 2.32 14.07 16.88 93.91 52.45 -71.36 -26.17 21.47 0.14 78.39 3.69 2.52 15.00 72.12 6.48 0.04 0.07 0.08 105 F H H 113.92 5.08 12.12 18.42 97.58 52.07 -79.94 -19.46 40.96 0.55 58.48 10.43 6.38 24.55 51.09 6.92 0.07 0.24 0.32 106 K H H 117.55 4.17 12.84 18.31 97.05 65.24 -75.91 -26.24 46.93 0.89 52.18 20.32 10.76 16.77 46.63 4.61 0.05 0.37 0.49 107 T H H 70.38 3.27 13.16 17.48 102.47 63.86 -74.54 -40.90 43.27 0.49 56.24 24.80 11.08 7.78 52.17 3.76 0.01 0.20 0.21 108 P H H 78.66 3.00 13.40 17.27 93.86 50.14 -65.61 -37.52 23.23 0.33 76.44 11.25 3.60 9.20 69.26 6.36 0.02 0.17 0.14 109 L H H 86.88 4.22 11.83 17.15 93.71 50.55 -67.39 -37.83 13.04 0.29 86.66 4.80 2.17 6.33 75.81 10.57 0.03 0.19 0.10 110 E H H 103.02 2.95 11.68 15.94 93.29 53.29 -67.47 -34.78 12.46 0.33 87.21 4.88 1.94 5.84 76.02 10.97 0.02 0.22 0.10 111 K H H 131.13 1.99 11.43 14.17 94.11 54.27 -69.05 -33.71 15.93 0.44 83.63 5.26 2.40 8.36 71.58 11.92 0.04 0.29 0.14 112 I H H 112.63 2.64 10.11 13.69 96.13 52.57 -73.51 -29.04 24.25 0.54 75.21 6.20 3.79 14.74 65.17 9.46 0.09 0.30 0.24 113 N H H 116.73 1.97 9.74 12.68 98.32 52.91 -83.38 3.49 46.52 0.84 52.64 13.81 5.14 28.10 45.61 6.43 0.05 0.40 0.46 114 W C C 159.66 4.11 7.22 13.14 106.07 96.86 -86.14 64.80 76.98 0.91 22.11 57.90 1.60 17.44 19.36 2.71 0.00 0.43 0.56 115 Q C C 136.90 2.06 11.71 14.99 106.46 -152.76 -86.07 88.83 99.96 0.02 0.02 99.88 0.05 0.05 0.01 0.00 0.00 0.01 0.00