# 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 106.03 6.00 12.30 19.78 113.27 -149.18 -91.46 127.31 99.59 0.17 0.24 99.52 0.10 0.10 0.18 0.01 0.00 0.07 0.03 1 L C C 103.92 5.19 9.51 16.27 105.61 -144.55 -83.69 70.14 56.97 3.19 39.84 50.43 1.91 5.92 32.88 5.75 0.00 1.97 1.14 2 R C H 165.88 2.19 9.90 13.48 103.79 102.64 -81.69 -4.42 50.25 5.55 44.19 31.80 8.39 10.65 33.28 10.53 0.06 3.63 1.65 3 R C H 160.10 2.68 10.04 14.19 105.35 62.18 -85.62 51.99 47.83 4.95 47.22 28.86 8.48 11.22 34.92 11.71 0.07 3.18 1.56 4 L C H 100.36 5.46 9.36 16.39 106.17 98.52 -86.01 60.10 48.95 2.86 48.20 27.82 9.87 12.72 37.75 9.07 0.06 1.54 1.17 5 G C H 43.52 4.75 11.70 17.85 110.92 23.99 -66.96 -51.41 50.52 1.22 48.26 26.59 10.29 14.95 38.98 7.95 0.04 0.58 0.62 6 A H H 73.70 3.58 11.76 16.65 105.24 -37.55 -76.76 57.93 47.19 1.06 51.76 22.34 10.82 15.32 41.95 8.50 0.05 0.51 0.51 7 N H H 98.21 4.06 12.45 17.77 105.58 59.33 -82.27 51.74 46.90 1.34 51.76 29.23 6.91 11.61 43.87 7.07 0.02 0.71 0.58 8 V H H 81.40 6.26 11.42 19.15 99.58 118.59 -74.22 -27.56 25.33 0.62 74.05 15.77 5.28 6.08 66.42 5.88 0.01 0.31 0.24 9 S H H 64.52 4.13 13.55 18.86 97.54 63.88 -70.21 -29.87 18.06 0.39 81.55 9.16 3.05 6.66 72.79 7.96 0.02 0.23 0.14 10 N H H 99.68 3.38 14.11 18.44 97.23 53.06 -70.92 -31.09 17.01 0.39 82.60 6.57 2.82 7.99 73.19 9.02 0.04 0.23 0.15 11 M H H 102.24 4.65 13.36 19.26 94.59 55.35 -70.21 -36.08 19.70 0.47 79.84 7.33 3.79 9.39 71.37 7.62 0.05 0.25 0.20 12 A H H 53.36 5.77 12.90 20.11 96.24 56.32 -69.71 -35.45 22.33 0.50 77.17 10.19 4.81 8.81 71.92 3.77 0.03 0.23 0.23 13 R H H 134.72 3.47 14.52 18.94 95.34 55.20 -68.86 -37.75 21.81 0.50 77.69 13.12 4.75 5.51 71.40 4.75 0.01 0.26 0.19 14 P H H 74.44 4.30 14.19 19.65 95.49 50.50 -68.93 -35.57 22.75 0.76 76.49 15.87 2.59 5.22 70.90 4.72 0.01 0.48 0.21 15 M H H 103.78 5.25 13.63 20.03 95.38 51.78 -70.84 -33.97 19.69 0.98 79.33 12.24 3.37 5.63 72.05 5.79 0.02 0.60 0.31 16 N H H 89.01 4.84 13.39 19.47 97.45 57.13 -72.82 -29.45 26.15 1.03 72.82 16.47 4.51 6.92 67.06 4.10 0.02 0.57 0.35 17 K H H 131.12 3.12 14.09 18.14 96.28 57.80 -72.13 -27.75 31.01 1.36 67.64 16.77 5.81 9.97 61.88 4.30 0.03 0.80 0.44 18 Y H H 137.34 4.39 12.98 18.63 99.83 56.11 -81.07 -11.97 35.70 1.29 63.01 19.69 6.42 10.82 57.22 4.65 0.02 0.73 0.45 19 A H H 63.25 5.53 12.24 19.20 102.04 70.15 -80.01 -0.33 40.39 1.66 57.96 25.25 6.91 9.22 51.51 5.60 0.02 0.94 0.55 20 V H H 89.51 4.93 12.05 18.46 104.93 62.18 -84.34 23.25 46.13 3.06 50.81 29.38 7.51 10.13 43.88 6.26 0.03 1.94 0.87 21 T C C 90.79 3.45 12.82 17.52 106.68 72.27 -86.56 71.64 56.68 4.25 39.08 36.44 8.46 11.93 33.66 5.50 0.03 2.74 1.24 22 V C C 88.26 5.74 10.74 17.99 108.43 55.38 -91.38 90.34 62.97 4.66 32.38 38.40 14.51 10.22 28.76 3.92 0.03 2.58 1.59 23 S C C 62.07 5.00 11.36 17.92 112.72 -146.26 -92.95 126.81 78.49 1.89 19.63 56.25 15.27 6.01 18.15 2.64 0.00 1.00 0.68 24 P C C 89.37 4.46 11.03 17.11 103.76 -129.31 -70.98 40.04 68.52 1.15 30.33 46.83 9.32 11.64 24.24 6.88 0.00 0.61 0.49 25 R C C 154.78 3.31 10.63 15.49 105.45 99.26 -85.42 51.32 59.86 1.65 38.49 38.69 9.63 11.45 29.27 9.38 0.01 0.84 0.72 26 R C C 151.58 3.49 11.02 16.01 105.77 116.48 -84.60 37.63 54.99 2.67 42.34 33.72 9.68 11.80 29.87 12.35 0.02 1.48 1.07 27 H C C 125.33 4.24 11.12 16.86 105.75 59.49 -87.93 44.95 60.44 2.70 36.86 34.28 11.33 15.18 25.53 11.04 0.03 1.42 1.19 28 L C C 96.19 5.86 10.57 17.94 106.63 110.42 -86.87 69.84 63.68 1.69 34.63 36.16 14.22 13.61 25.88 8.45 0.02 0.75 0.90 29 E C C 106.27 4.98 13.10 19.43 113.30 -126.04 -82.96 140.87 60.70 0.90 38.39 36.45 16.83 7.37 34.80 3.79 0.01 0.38 0.37 30 P H H 79.43 5.40 13.47 20.08 104.46 -100.63 -69.36 118.01 47.63 0.90 51.47 27.60 7.05 12.93 46.87 4.74 0.01 0.46 0.36 31 M H H 92.70 7.60 13.23 21.78 103.45 54.38 -76.37 -7.70 38.46 1.20 60.34 24.93 5.64 8.82 55.01 4.54 0.01 0.62 0.45 32 S H H 49.48 6.45 14.36 22.22 100.46 78.62 -71.61 -40.16 26.80 1.08 72.12 19.82 3.74 4.50 68.49 2.54 0.01 0.57 0.34 33 T H H 75.92 4.64 15.89 21.28 94.68 51.06 -66.65 -38.02 5.90 0.16 93.93 2.98 1.05 2.21 92.56 1.05 0.01 0.09 0.05 34 W H H 123.18 6.02 16.33 23.08 92.93 51.89 -66.18 -41.25 2.42 0.06 97.51 0.97 0.34 1.18 96.63 0.82 0.01 0.04 0.02 35 Y H H 93.46 8.20 16.41 25.41 92.72 49.92 -65.66 -41.82 1.88 0.05 98.07 0.67 0.24 1.01 97.36 0.68 0.00 0.02 0.01 36 L H H 78.01 5.35 18.11 24.18 92.72 50.21 -65.48 -41.27 1.62 0.02 98.36 0.49 0.19 0.92 98.01 0.38 0.00 0.01 0.01 37 A H H 47.86 4.73 18.44 23.95 92.08 50.48 -64.65 -41.17 1.04 0.00 98.96 0.31 0.12 0.55 98.88 0.14 0.00 0.00 0.00 38 S H H 40.26 8.10 17.88 26.91 92.49 50.14 -65.23 -41.28 0.72 0.00 99.28 0.19 0.07 0.39 99.28 0.08 0.00 0.00 0.00 39 W H H 106.08 7.60 18.61 26.78 92.41 50.21 -64.91 -41.61 0.27 0.00 99.73 0.06 0.02 0.15 99.74 0.04 0.00 0.00 0.00 40 A H H 48.94 4.76 19.20 24.61 92.04 50.23 -64.44 -41.73 0.18 0.00 99.82 0.03 0.01 0.10 99.83 0.02 0.00 0.00 0.00 41 M H H 81.68 5.12 18.78 24.55 91.90 50.25 -65.03 -41.44 0.21 0.00 99.78 0.03 0.01 0.14 99.80 0.02 0.00 0.00 0.00 42 V H H 57.00 7.71 17.40 25.96 91.98 49.77 -64.47 -42.53 0.13 0.00 99.87 0.01 0.01 0.09 99.87 0.02 0.00 0.00 0.00 43 W H H 117.70 5.99 17.94 24.58 92.03 49.44 -64.25 -42.10 0.13 0.00 99.87 0.01 0.00 0.09 99.86 0.03 0.00 0.00 0.00 44 Y H H 115.28 4.05 18.22 22.72 92.26 49.21 -65.32 -41.67 0.26 0.00 99.74 0.02 0.01 0.20 99.71 0.06 0.00 0.00 0.00 45 Y H H 101.63 5.51 17.29 23.65 92.52 48.65 -65.81 -40.51 0.83 0.00 99.17 0.06 0.04 0.69 99.04 0.17 0.00 0.00 0.00 46 A H H 39.82 7.62 15.53 24.43 92.42 51.15 -65.59 -39.29 3.46 0.01 96.54 0.20 0.17 3.02 95.99 0.61 0.00 0.00 0.00 47 F H H 100.74 5.12 15.98 22.00 93.71 48.74 -68.18 -38.74 5.48 0.01 94.51 0.31 0.32 4.72 92.19 2.43 0.01 0.01 0.01 48 F H H 110.49 4.04 15.69 20.53 93.98 48.36 -70.04 -37.01 11.49 0.03 88.47 0.59 0.64 10.20 83.77 4.73 0.03 0.01 0.02 49 F H H 108.45 4.92 15.44 21.14 95.42 45.48 -74.06 -35.84 30.71 0.06 69.23 1.00 1.32 27.88 65.43 4.26 0.04 0.02 0.04 50 W H H 120.27 6.08 14.88 21.83 95.75 46.35 -75.92 -32.70 26.30 0.09 73.60 2.23 2.75 21.21 70.42 3.23 0.05 0.04 0.07 51 M H H 83.82 5.74 14.68 21.72 93.07 57.24 -65.08 -41.60 13.09 0.14 86.77 4.39 2.74 6.74 82.25 3.72 0.03 0.06 0.07 52 P H H 66.36 4.22 15.64 20.99 92.31 50.82 -65.48 -38.53 7.85 0.12 92.03 2.63 0.95 4.36 88.07 3.84 0.02 0.07 0.04 53 M H H 90.07 4.44 15.76 21.07 92.80 49.99 -66.59 -40.33 3.71 0.14 96.15 1.17 0.52 2.11 91.80 4.25 0.02 0.10 0.03 54 V H H 66.95 5.42 14.91 21.40 92.59 49.20 -65.85 -41.44 3.89 0.30 95.80 1.45 0.58 2.12 92.67 2.86 0.03 0.23 0.06 55 W H H 126.92 4.35 14.89 20.29 92.77 49.20 -66.71 -39.32 5.90 0.34 93.76 2.06 0.89 3.24 90.38 3.02 0.07 0.24 0.09 56 T H H 66.61 4.35 14.02 19.72 93.05 52.30 -66.98 -38.76 7.86 0.23 91.91 1.93 1.08 4.87 87.55 4.26 0.09 0.15 0.08 57 D H H 88.25 3.87 14.69 19.25 94.55 49.12 -71.98 -33.55 13.91 0.16 85.93 2.07 1.34 10.32 81.41 4.62 0.08 0.09 0.07 58 I H H 96.41 4.25 14.03 19.09 98.51 43.94 -81.51 -31.45 32.53 0.37 67.10 3.73 3.21 25.98 62.61 3.98 0.12 0.18 0.19 59 M H H 97.67 4.53 13.94 19.58 99.07 48.14 -83.07 -30.92 39.37 0.82 59.81 7.24 6.85 26.63 55.18 3.06 0.20 0.34 0.49 60 V H H 71.28 5.33 13.67 20.45 96.61 59.98 -69.21 -40.84 36.60 0.74 62.66 19.45 10.45 7.63 57.47 4.37 0.02 0.34 0.27 61 P H H 66.34 4.75 14.38 20.47 94.65 50.67 -66.14 -38.08 28.63 0.59 70.78 18.22 3.51 7.39 64.14 6.19 0.01 0.35 0.19 62 S H H 57.26 4.20 14.69 19.97 94.47 53.40 -67.96 -37.56 15.04 0.69 84.27 7.48 2.59 5.73 73.55 9.96 0.03 0.46 0.20 63 F H H 103.88 4.53 14.21 19.87 94.26 50.22 -68.55 -38.70 12.97 1.19 85.84 5.96 2.44 5.64 76.11 8.61 0.07 0.89 0.28 64 V H H 73.97 4.71 13.76 19.76 94.39 49.50 -68.82 -40.03 15.43 1.64 82.93 6.83 2.93 7.05 74.55 6.87 0.11 1.25 0.41 65 Y H H 131.31 3.39 14.55 18.69 94.71 48.79 -69.91 -37.64 22.97 1.68 75.35 7.94 4.59 12.22 67.57 5.80 0.23 1.05 0.62 66 N H H 92.59 3.41 14.52 18.70 95.97 46.37 -75.55 -28.80 46.36 0.75 52.89 9.09 6.82 30.54 48.41 4.29 0.10 0.37 0.38 67 K H H 108.23 4.59 14.40 20.08 95.94 50.02 -74.20 -29.49 41.60 0.73 57.67 11.17 7.02 24.14 52.34 4.53 0.09 0.33 0.39 68 L H H 77.60 4.74 14.01 20.27 93.77 60.38 -65.42 -42.05 19.05 0.32 80.62 9.88 4.48 5.64 76.40 3.33 0.01 0.15 0.11 69 P H H 68.64 3.32 15.66 19.77 92.88 50.91 -64.64 -39.20 15.78 0.43 83.79 9.31 1.80 5.13 79.80 3.56 0.01 0.30 0.10 70 V H H 76.72 3.36 15.54 19.63 93.05 50.58 -65.94 -40.79 7.86 0.47 91.67 4.02 1.09 3.25 87.55 3.60 0.01 0.38 0.11 71 I H H 81.18 3.78 15.29 20.13 92.46 49.92 -65.13 -41.47 3.12 0.18 96.71 1.63 0.44 1.22 95.31 1.24 0.00 0.14 0.03 72 H H H 100.16 3.03 15.88 19.43 92.17 50.20 -64.75 -41.20 1.96 0.06 97.99 0.75 0.23 0.99 97.19 0.78 0.00 0.04 0.01 73 F H H 106.84 2.89 15.76 19.08 92.34 50.04 -65.27 -41.35 1.52 0.03 98.45 0.48 0.17 0.86 97.88 0.59 0.00 0.02 0.00 74 L H H 82.10 3.20 15.49 19.44 92.16 49.55 -64.90 -41.59 1.04 0.01 98.95 0.32 0.12 0.56 98.64 0.35 0.00 0.01 0.00 75 Q H H 96.76 2.67 15.77 18.81 92.11 49.67 -65.40 -40.48 1.38 0.01 98.61 0.35 0.15 0.81 98.38 0.30 0.00 0.00 0.00 76 E H H 100.77 2.69 15.79 18.78 92.52 50.40 -65.43 -40.35 2.86 0.02 97.12 0.68 0.30 1.73 96.94 0.33 0.00 0.01 0.01 77 K H H 112.77 2.51 16.07 18.70 92.46 50.15 -65.55 -40.64 3.78 0.02 96.20 1.07 0.47 2.07 96.04 0.33 0.00 0.01 0.01 78 R H H 126.42 2.38 16.23 18.64 92.41 50.21 -65.30 -40.76 2.71 0.02 97.27 1.12 0.34 1.16 97.05 0.31 0.00 0.01 0.01 79 A H H 51.96 2.73 15.47 18.85 91.87 50.49 -64.30 -40.89 2.52 0.02 97.46 1.04 0.31 1.13 97.09 0.41 0.00 0.01 0.01 80 E H H 98.80 2.53 15.92 18.65 92.04 50.49 -65.09 -40.42 2.66 0.02 97.32 0.97 0.31 1.30 96.96 0.44 0.00 0.01 0.01 81 Q H H 90.73 2.31 15.62 18.09 92.01 50.78 -64.62 -40.59 2.91 0.02 97.07 1.02 0.36 1.45 96.74 0.41 0.01 0.01 0.01 82 K H H 115.73 1.95 15.99 17.63 92.13 50.72 -65.04 -40.41 3.43 0.04 96.53 1.27 0.44 1.68 96.19 0.38 0.00 0.02 0.02 83 L H H 89.67 2.76 14.80 18.07 92.21 50.58 -65.17 -40.39 2.94 0.04 97.02 1.33 0.37 1.23 96.69 0.34 0.00 0.02 0.01 84 R H H 136.51 2.05 15.23 17.36 92.12 51.06 -64.71 -40.68 2.19 0.04 97.77 1.13 0.26 0.84 97.37 0.36 0.00 0.02 0.01 85 R H H 136.81 1.71 15.79 17.00 92.31 50.19 -65.24 -41.28 2.53 0.06 97.41 1.16 0.30 1.10 96.88 0.51 0.00 0.04 0.01 86 V H H 79.61 2.32 15.26 17.75 92.16 49.18 -65.38 -41.59 3.22 0.07 96.71 1.32 0.40 1.51 96.10 0.62 0.00 0.04 0.02 87 L H H 86.25 3.05 14.48 18.33 92.23 49.74 -65.45 -40.75 4.66 0.07 95.28 1.90 0.60 2.16 94.58 0.71 0.00 0.03 0.02 88 D H H 82.61 2.45 15.09 17.91 92.08 51.67 -64.98 -39.82 6.15 0.08 93.77 2.58 0.84 2.76 92.72 1.03 0.00 0.03 0.02 89 E H H 112.35 1.71 15.83 16.93 92.53 50.10 -66.09 -40.16 7.95 0.09 91.96 2.48 1.03 4.37 90.55 1.48 0.01 0.05 0.03 90 T H H 70.73 2.75 14.93 18.19 92.71 49.16 -66.17 -41.01 9.08 0.13 90.80 3.23 1.39 4.66 89.04 1.57 0.01 0.06 0.05 91 Y H H 117.53 3.52 13.80 18.28 92.86 49.58 -66.13 -40.24 10.36 0.23 89.41 5.31 1.76 3.94 86.97 1.82 0.01 0.12 0.08 92 T H H 76.96 2.16 14.70 16.98 92.81 51.43 -65.44 -40.40 14.54 0.37 85.09 7.34 2.24 5.69 82.16 2.23 0.01 0.20 0.13 93 E H H 116.02 1.64 15.17 16.27 92.74 50.38 -66.03 -39.74 17.81 0.36 81.83 7.57 2.89 8.03 78.56 2.61 0.02 0.18 0.13 94 W H H 131.81 3.46 13.09 17.62 93.61 49.66 -67.35 -39.08 22.29 0.48 77.23 12.38 4.07 6.85 73.53 2.76 0.01 0.23 0.18 95 T H H 73.58 3.66 12.80 17.52 94.42 53.34 -68.40 -37.58 24.08 0.44 75.48 15.56 3.30 5.79 72.32 2.66 0.00 0.22 0.15 96 E H H 124.09 1.75 14.02 15.73 94.61 54.47 -68.50 -38.05 21.25 0.40 78.35 9.93 4.17 8.10 73.80 3.63 0.02 0.20 0.15 97 E H H 124.66 1.89 13.74 15.72 94.71 49.79 -70.91 -35.12 24.29 0.42 75.29 10.40 4.45 10.12 71.07 3.54 0.02 0.20 0.18 98 L H H 88.84 4.33 11.65 17.15 97.56 53.14 -74.80 -31.23 32.58 0.59 66.83 17.23 6.46 9.46 63.42 2.90 0.01 0.25 0.26 99 D H H 82.25 3.23 13.63 17.79 98.89 55.28 -70.54 -33.95 38.15 0.39 61.46 28.03 3.71 5.69 60.30 1.96 0.00 0.17 0.15 100 Q H H 111.58 2.89 13.64 17.30 94.14 52.13 -66.62 -37.60 15.45 0.17 84.37 7.05 2.56 6.16 80.95 3.11 0.01 0.08 0.07 101 A H H 62.28 2.23 14.54 17.01 93.21 52.70 -66.07 -39.56 13.19 0.13 86.68 5.01 2.05 6.23 83.71 2.86 0.01 0.06 0.05 102 H H H 107.28 2.97 14.90 18.51 92.91 50.95 -66.45 -39.58 11.67 0.15 88.18 6.03 1.54 4.25 85.93 2.11 0.01 0.08 0.05 103 V H H 72.54 4.45 14.04 19.69 92.72 50.87 -65.29 -41.69 3.89 0.06 96.05 2.12 0.56 1.31 95.24 0.73 0.00 0.03 0.02 104 T H H 74.99 2.54 15.87 18.68 92.19 50.03 -64.31 -41.52 2.23 0.03 97.74 1.08 0.29 0.87 97.28 0.45 0.00 0.01 0.01 105 D H H 82.99 2.04 16.32 18.05 92.27 50.05 -65.34 -40.88 1.77 0.02 98.21 0.71 0.22 0.81 97.84 0.39 0.00 0.01 0.01 106 A H H 48.05 3.55 14.34 19.25 92.11 50.95 -64.39 -41.49 1.59 0.02 98.38 0.57 0.19 0.80 98.02 0.40 0.00 0.01 0.01 107 I H H 82.91 3.54 13.96 18.58 92.29 49.38 -65.18 -41.35 1.72 0.03 98.25 0.57 0.20 0.90 97.83 0.47 0.00 0.02 0.01 108 T H H 74.85 2.33 13.37 16.39 92.25 50.74 -65.49 -39.54 3.00 0.04 96.96 0.87 0.33 1.68 96.27 0.82 0.01 0.02 0.01 109 R H H 155.56 1.38 12.80 14.11 92.96 50.95 -67.43 -36.61 7.28 0.04 92.67 1.20 0.69 5.13 91.32 1.60 0.01 0.02 0.02 110 S H H 73.57 2.46 10.67 14.19 94.25 53.23 -71.21 -27.36 16.32 0.08 83.60 2.29 1.61 12.14 82.09 1.77 0.02 0.03 0.04 111 L H H 114.17 2.57 9.24 13.13 99.52 51.41 -88.79 0.85 43.89 0.74 55.37 9.61 7.00 27.93 52.34 2.34 0.07 0.29 0.42 112 N C C 125.56 1.67 9.92 12.86 103.34 -143.53 -65.85 69.15 81.89 0.81 17.30 45.70 1.88 32.19 17.96 1.43 0.00 0.37 0.47 113 I C C 110.05 4.64 9.63 16.06 107.90 161.67 -90.65 93.84 99.97 0.02 0.01 99.93 0.04 0.02 0.00 0.00 0.00 0.01 0.00