# 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 106.50 7.37 14.83 23.17 117.00 -161.46 -98.58 132.14 99.86 0.13 0.01 99.80 0.08 0.03 0.00 0.00 0.00 0.06 0.01 1 M C C 89.05 9.85 9.74 20.37 114.89 -147.04 -91.85 132.11 88.29 9.19 2.52 85.18 1.37 2.13 1.40 0.74 0.00 5.37 3.82 2 T C C 92.73 3.59 12.24 17.37 114.02 -162.57 -98.51 133.31 84.18 9.77 6.05 60.31 13.95 9.84 2.96 3.01 0.00 6.45 3.47 3 G C C 44.87 5.91 10.97 18.17 112.16 -106.57 -70.49 -3.17 82.88 3.91 13.21 43.14 25.26 15.37 6.05 6.41 0.01 2.06 1.69 4 R C C 148.55 4.11 12.55 18.09 105.43 9.74 -81.71 41.67 72.33 2.56 25.12 40.46 16.53 16.00 9.68 14.67 0.01 1.20 1.45 5 Q C T 101.72 7.04 11.67 19.90 104.07 58.46 -77.88 62.60 68.05 2.06 29.89 25.51 14.29 29.60 9.61 18.77 0.03 0.96 1.24 6 A C C 62.84 7.71 12.96 21.69 102.21 58.71 -78.84 20.03 71.33 1.70 26.97 29.90 14.62 28.10 8.06 17.48 0.01 0.76 1.05 7 R C C 139.31 5.83 14.74 21.67 103.88 93.74 -89.73 23.04 78.79 2.04 19.17 48.03 18.57 12.05 7.00 11.97 0.00 0.82 1.54 8 A C C 39.50 9.71 14.24 25.35 116.46 112.23 -88.95 142.10 84.62 1.18 14.20 60.45 20.00 4.41 6.89 6.85 0.00 0.46 0.94 9 P H G 53.03 12.08 16.53 29.19 95.02 -114.87 -63.78 -22.77 42.41 0.69 56.90 15.38 4.99 21.56 7.34 50.06 0.00 0.39 0.27 10 L H G 37.04 18.49 13.52 31.29 94.09 61.25 -75.83 -11.36 28.30 0.46 71.23 5.89 3.00 18.62 6.61 65.41 0.00 0.31 0.15 11 Q H G 108.68 5.95 18.60 25.84 92.46 87.92 -64.93 -22.80 30.28 0.48 69.24 4.33 3.80 21.21 5.56 64.65 0.00 0.30 0.15 12 F H G 99.95 9.24 16.85 26.75 94.41 58.49 -84.95 -11.17 43.97 0.67 55.35 5.61 6.13 31.31 3.62 52.67 0.00 0.38 0.27 13 L C S 26.22 19.67 9.52 28.35 117.57 89.83 -92.66 132.45 98.74 0.73 0.53 19.36 78.84 0.62 0.24 0.14 0.00 0.18 0.62 14 P C C 62.37 4.51 16.17 21.92 116.21 -110.51 -66.78 154.68 97.80 0.37 1.83 89.78 6.15 1.96 1.19 0.48 0.00 0.12 0.31 15 D H H 106.87 3.57 13.37 18.62 92.06 -104.38 -59.74 -35.65 35.23 0.29 64.48 7.29 7.00 19.83 41.13 24.36 0.06 0.13 0.22 16 E H H 122.52 2.58 15.58 18.58 91.91 58.27 -66.47 -30.50 23.92 0.21 75.87 3.95 2.88 14.77 50.61 27.52 0.04 0.11 0.11 17 A H H 23.14 14.44 10.78 25.80 92.09 58.17 -67.90 -29.73 13.29 0.20 86.51 3.63 1.88 6.48 53.10 34.71 0.01 0.11 0.06 18 R H H 115.77 9.69 13.65 24.14 92.69 60.63 -71.81 -21.16 26.33 0.37 73.30 5.11 3.80 15.26 46.43 28.94 0.07 0.18 0.21 19 S C T 85.42 1.79 16.77 18.30 95.97 58.07 -88.40 -2.73 51.85 0.74 47.42 10.96 8.65 31.09 22.98 25.29 0.07 0.33 0.63 20 L C S 58.34 11.93 9.56 22.40 118.29 108.02 -78.68 142.67 99.17 0.48 0.36 29.54 69.18 0.51 0.21 0.08 0.00 0.11 0.37 21 P C C 94.63 2.80 17.47 20.68 114.77 -101.47 -67.36 147.22 99.74 0.23 0.03 95.89 3.75 0.13 0.01 0.01 0.00 0.07 0.13 22 P C C 65.90 13.57 12.65 26.10 115.91 -102.56 -67.88 146.85 99.71 0.20 0.09 97.28 2.26 0.19 0.03 0.03 0.00 0.06 0.15 23 P C C 41.32 13.48 13.73 27.88 114.34 -104.63 -67.64 151.38 97.99 0.39 1.62 93.53 2.85 1.80 0.45 0.90 0.00 0.14 0.33 24 K C C 131.27 4.49 19.18 24.32 97.23 -110.06 -69.84 -11.33 77.57 1.16 21.27 28.15 23.04 26.30 2.58 18.57 0.00 0.48 0.87 25 L C T 53.45 16.56 12.11 27.87 99.74 79.40 -81.45 3.02 76.85 1.93 21.22 22.82 19.01 35.46 2.57 18.00 0.01 0.85 1.29 26 T C C 75.50 8.12 16.41 25.25 98.08 73.25 -93.34 2.16 78.04 2.18 19.78 35.66 18.14 23.85 2.65 17.38 0.00 0.97 1.34 27 D C C 52.89 9.21 13.57 24.60 110.40 105.88 -87.86 114.82 96.88 1.01 2.11 62.85 32.62 1.29 1.52 0.51 0.00 0.26 0.95 28 P H H 88.25 5.23 14.81 21.65 92.63 -153.69 -61.50 -31.82 38.71 0.14 61.15 2.85 3.47 31.43 55.75 6.28 0.05 0.06 0.11 29 R H H 137.03 4.08 17.57 22.53 92.25 58.82 -68.06 -31.81 32.21 0.13 67.66 2.51 2.53 26.59 62.75 5.42 0.04 0.06 0.09 30 L H H 30.33 16.13 14.21 30.48 92.96 55.10 -67.36 -37.40 12.80 0.26 86.94 4.67 1.83 6.77 79.66 6.77 0.03 0.15 0.12 31 A H H 37.10 12.17 17.08 29.67 91.99 54.52 -63.26 -40.90 4.48 0.09 95.44 1.41 0.54 2.56 92.06 3.34 0.01 0.06 0.02 32 Y H H 127.96 3.19 23.24 25.66 92.20 50.63 -65.37 -41.17 2.44 0.05 97.51 0.50 0.25 1.62 94.83 2.75 0.01 0.03 0.01 33 I H H 55.12 10.23 20.97 31.71 92.07 49.18 -65.39 -41.39 1.98 0.02 97.99 0.29 0.15 1.42 96.23 1.88 0.01 0.01 0.00 34 G H H 7.97 19.23 17.44 36.55 91.71 51.51 -63.19 -42.70 3.43 0.02 96.55 0.33 0.22 2.80 95.34 1.29 0.01 0.01 0.01 35 F H H 99.65 7.02 24.11 31.24 91.81 49.02 -65.12 -41.69 2.60 0.01 97.40 0.23 0.17 2.05 96.91 0.63 0.00 0.00 0.00 36 L H H 81.87 4.78 25.09 29.88 91.66 49.78 -64.61 -42.12 1.25 0.00 98.75 0.12 0.08 0.91 98.52 0.36 0.00 0.00 0.00 37 G H H 9.86 17.30 19.43 36.67 91.96 50.75 -64.21 -42.28 1.43 0.00 98.57 0.14 0.08 1.05 98.37 0.36 0.00 0.00 0.00 38 Y H H 68.91 15.47 22.56 37.02 91.89 49.30 -63.89 -42.24 1.30 0.00 98.69 0.14 0.08 0.93 98.53 0.32 0.00 0.00 0.00 39 C H H 62.91 5.08 25.55 30.60 91.80 49.84 -64.08 -42.50 1.05 0.00 98.95 0.13 0.07 0.69 98.88 0.23 0.00 0.00 0.00 40 S H H 37.68 7.97 23.67 32.14 91.87 50.52 -64.49 -42.10 0.86 0.00 99.14 0.10 0.06 0.57 99.03 0.24 0.00 0.00 0.00 41 G H H 7.21 18.39 18.78 37.27 91.60 50.59 -63.65 -41.98 0.79 0.00 99.21 0.07 0.05 0.56 99.07 0.25 0.00 0.00 0.00 42 L H H 60.08 11.33 21.59 32.98 91.82 49.96 -64.25 -42.04 0.74 0.00 99.26 0.07 0.05 0.53 99.11 0.25 0.00 0.00 0.00 43 I H H 86.63 3.30 23.76 26.24 91.66 49.33 -64.15 -42.61 0.80 0.00 99.19 0.08 0.06 0.56 99.05 0.24 0.00 0.00 0.00 44 D H H 43.37 8.69 19.19 29.08 92.01 49.69 -64.92 -41.19 1.32 0.00 98.68 0.14 0.10 0.95 98.45 0.36 0.00 0.00 0.00 45 N H H 19.15 14.20 13.48 29.05 91.97 50.34 -65.04 -39.92 2.22 0.01 97.78 0.19 0.15 1.68 97.36 0.61 0.00 0.00 0.00 46 A H H 58.86 5.45 15.75 22.31 92.36 51.22 -65.30 -39.35 3.56 0.01 96.43 0.19 0.20 3.00 95.60 1.00 0.01 0.00 0.00 47 I H H 121.30 1.96 15.66 17.61 92.91 48.24 -69.53 -33.78 11.86 0.03 88.11 0.41 0.75 10.81 86.87 1.10 0.03 0.01 0.02 48 R C T 129.36 4.14 13.05 18.48 96.33 45.17 -92.64 1.89 68.11 0.13 31.77 1.71 5.03 59.62 31.80 1.65 0.02 0.04 0.13 49 R C T 186.52 1.67 13.82 16.51 95.04 -123.74 57.48 40.49 98.51 0.04 1.45 9.23 4.20 85.30 1.02 0.22 0.00 0.02 0.02 50 R C C 99.62 7.35 10.64 19.85 124.57 140.10 -109.40 147.83 99.51 0.38 0.11 81.56 17.66 0.28 0.06 0.03 0.00 0.12 0.30 51 P C C 75.19 3.97 15.65 20.52 111.71 -98.22 -65.09 143.52 98.81 0.47 0.72 95.96 2.23 0.73 0.35 0.20 0.00 0.15 0.38 52 V C G 73.88 11.67 11.07 23.23 93.88 -123.63 -61.40 -33.48 50.37 0.94 48.69 13.29 10.65 25.89 22.90 26.02 0.07 0.42 0.77 53 L H T 113.48 3.62 15.57 20.18 92.84 60.55 -68.41 -24.91 46.57 0.74 52.69 6.24 7.80 30.45 26.44 27.96 0.16 0.34 0.60 54 S H H 66.51 4.18 16.82 21.70 97.01 49.54 -86.75 -13.22 41.20 0.96 57.84 9.34 7.68 22.72 29.60 29.49 0.12 0.45 0.61 55 A C H 29.66 13.45 12.29 26.25 100.66 74.17 -78.33 -15.94 57.09 1.15 41.75 15.72 15.45 26.54 27.42 13.45 0.08 0.46 0.87 56 G C C 25.64 8.83 17.09 26.94 105.70 -108.94 50.35 27.55 63.59 0.83 35.58 32.46 10.89 20.99 29.31 5.45 0.01 0.30 0.59 57 L H H 78.76 9.08 15.29 25.32 93.73 54.43 -62.58 -39.87 12.71 0.25 87.04 5.72 2.12 5.25 80.13 6.53 0.02 0.13 0.10 58 H H H 120.41 2.66 18.65 21.29 92.29 52.58 -64.91 -39.21 7.63 0.29 92.08 2.73 0.99 3.87 83.96 8.16 0.02 0.21 0.07 59 R H H 99.72 7.20 18.06 26.09 92.36 50.03 -66.32 -39.83 4.72 0.16 95.12 1.46 0.56 2.50 87.01 8.30 0.01 0.12 0.03 60 Q H H 38.32 14.88 14.64 29.94 91.93 51.56 -64.21 -41.32 5.01 0.13 94.85 1.28 0.67 2.88 90.17 4.82 0.04 0.09 0.04 61 F H H 102.20 5.89 18.93 25.62 92.10 50.54 -64.18 -41.36 4.16 0.08 95.76 0.88 0.60 2.54 93.38 2.50 0.02 0.05 0.03 62 L H H 93.23 2.59 20.30 22.22 92.07 49.36 -65.20 -41.34 3.12 0.04 96.84 0.51 0.30 2.11 94.54 2.49 0.01 0.02 0.01 63 Y H H 80.40 9.47 18.04 28.30 92.61 47.66 -66.60 -40.77 3.89 0.04 96.07 0.49 0.31 2.89 93.62 2.65 0.01 0.02 0.01 64 I H H 44.54 13.29 16.49 30.22 92.55 49.76 -65.04 -42.00 2.90 0.04 97.06 0.50 0.31 1.92 95.70 1.52 0.01 0.02 0.01 65 T H H 69.72 3.93 20.49 24.47 92.13 50.33 -64.76 -41.50 1.92 0.03 98.06 0.37 0.20 1.24 97.59 0.57 0.00 0.01 0.01 66 S H H 55.50 3.54 20.73 23.96 92.07 49.32 -65.07 -41.23 1.16 0.01 98.83 0.19 0.09 0.79 98.62 0.30 0.00 0.00 0.00 67 F H H 62.75 11.45 17.60 29.71 92.54 48.94 -66.39 -40.67 0.68 0.01 99.32 0.11 0.05 0.46 99.16 0.21 0.00 0.00 0.00 68 V H H 51.33 11.15 17.64 29.17 92.11 51.66 -64.17 -42.39 0.44 0.00 99.56 0.05 0.03 0.32 99.46 0.14 0.00 0.00 0.00 69 F H H 116.27 2.52 21.92 23.52 91.74 49.27 -64.41 -42.16 0.40 0.01 99.60 0.04 0.02 0.30 99.51 0.12 0.00 0.00 0.00 70 V H H 69.32 4.55 21.05 25.60 91.81 48.73 -64.74 -42.01 0.37 0.00 99.63 0.03 0.02 0.27 99.58 0.10 0.00 0.00 0.00 71 G H H 13.36 13.19 16.31 30.70 92.13 51.07 -64.19 -41.90 0.51 0.00 99.49 0.05 0.03 0.37 99.43 0.12 0.00 0.00 0.00 72 Y H H 95.64 7.53 19.24 27.45 92.03 50.59 -64.60 -41.49 0.44 0.00 99.56 0.03 0.02 0.36 99.45 0.13 0.00 0.00 0.00 73 Y H H 120.23 2.71 20.82 22.82 91.82 50.14 -64.56 -41.82 0.65 0.00 99.35 0.04 0.03 0.55 99.21 0.16 0.00 0.00 0.00 74 L H H 64.70 6.48 18.69 26.04 91.90 49.79 -64.78 -41.37 0.90 0.00 99.10 0.09 0.06 0.69 98.99 0.18 0.00 0.00 0.00 75 L H H 51.84 10.30 16.59 27.93 92.05 50.76 -64.24 -41.15 0.93 0.00 99.06 0.14 0.08 0.64 98.96 0.18 0.00 0.00 0.00 76 K H H 108.13 3.80 19.27 23.39 91.72 50.51 -64.36 -41.11 1.01 0.00 98.99 0.16 0.07 0.68 98.89 0.19 0.00 0.00 0.00 77 R H H 120.52 3.05 19.30 22.20 92.00 49.75 -65.18 -41.52 0.65 0.00 99.35 0.09 0.04 0.44 99.27 0.16 0.00 0.00 0.00 78 Q H H 67.79 8.12 17.31 26.39 92.01 50.01 -64.95 -41.23 0.29 0.00 99.71 0.04 0.02 0.18 99.67 0.09 0.00 0.00 0.00 79 D H H 64.63 6.82 17.52 25.31 91.61 50.35 -64.67 -40.54 0.33 0.00 99.67 0.04 0.02 0.22 99.59 0.12 0.00 0.00 0.00 80 Y H H 125.77 2.70 19.35 21.66 91.88 50.18 -64.71 -41.32 0.29 0.00 99.71 0.02 0.01 0.22 99.60 0.15 0.00 0.00 0.00 81 M H H 83.19 4.65 18.92 24.14 91.98 49.68 -64.57 -42.13 0.35 0.00 99.65 0.02 0.01 0.28 99.55 0.13 0.00 0.00 0.00 82 Y H H 85.34 8.21 17.55 26.78 92.30 48.81 -65.20 -40.65 1.05 0.00 98.95 0.07 0.05 0.86 98.85 0.17 0.00 0.00 0.00 83 A H H 43.23 5.16 17.41 23.84 91.83 51.55 -63.94 -41.31 1.37 0.00 98.63 0.14 0.09 1.00 98.62 0.16 0.00 0.00 0.00 84 V H H 80.29 2.53 19.92 21.69 92.02 49.17 -64.63 -41.92 2.02 0.00 97.98 0.17 0.13 1.54 98.00 0.16 0.00 0.00 0.00 85 R H H 95.61 6.50 18.11 25.49 92.11 49.57 -64.85 -41.59 1.94 0.00 98.06 0.13 0.14 1.41 98.21 0.10 0.00 0.00 0.00 86 D H H 51.70 8.79 16.17 26.10 91.81 50.63 -64.31 -41.10 1.62 0.00 98.38 0.34 0.15 0.92 98.50 0.08 0.00 0.00 0.00 87 H H H 106.27 2.73 18.77 21.25 91.74 49.87 -64.86 -40.77 0.34 0.00 99.66 0.05 0.02 0.19 99.69 0.05 0.00 0.00 0.00 88 D H H 79.98 3.05 18.65 21.63 92.09 49.25 -65.58 -41.06 0.29 0.00 99.71 0.02 0.01 0.20 99.71 0.06 0.00 0.00 0.00 89 M H H 61.83 9.62 15.68 26.28 92.16 49.42 -65.51 -40.90 0.31 0.00 99.69 0.02 0.01 0.21 99.72 0.05 0.00 0.00 0.00 90 F H H 94.39 6.25 16.50 23.64 91.72 51.25 -63.94 -41.03 0.18 0.00 99.82 0.01 0.01 0.10 99.86 0.02 0.00 0.00 0.00 91 S H H 55.57 2.16 17.81 19.45 91.65 51.20 -63.78 -41.41 0.22 0.00 99.78 0.02 0.01 0.14 99.80 0.03 0.00 0.00 0.00 92 Y H H 86.77 5.84 15.41 22.84 92.40 49.98 -64.97 -41.42 0.20 0.00 99.80 0.02 0.01 0.13 99.79 0.06 0.00 0.00 0.00 93 I H H 54.52 10.55 12.00 23.67 92.25 50.31 -65.66 -39.16 0.35 0.00 99.65 0.03 0.02 0.26 99.58 0.11 0.00 0.00 0.00 94 K H H 144.92 1.72 15.28 17.05 92.37 49.96 -67.92 -36.68 2.27 0.00 97.73 0.06 0.07 2.13 97.55 0.18 0.00 0.00 0.00 95 S H H 80.47 1.47 14.32 15.37 95.32 44.85 -79.80 -27.27 8.27 0.01 91.72 0.17 0.68 7.38 91.56 0.19 0.01 0.00 0.01 96 H C C 79.71 6.54 10.67 19.19 110.79 25.53 -132.11 68.72 99.82 0.07 0.11 84.40 15.16 0.26 0.06 0.03 0.00 0.02 0.08 97 P H G 72.36 8.46 9.08 19.18 93.15 162.90 -61.76 -30.48 21.67 0.11 78.22 3.21 1.46 13.31 1.23 80.70 0.00 0.07 0.02 98 E H G 159.13 0.81 14.47 14.24 91.73 63.52 -69.98 -20.06 21.04 0.05 78.90 0.62 1.16 16.60 1.00 80.59 0.00 0.03 0.01 99 D H G 92.67 3.89 13.20 18.35 95.33 53.46 -90.60 -6.47 20.49 0.14 79.37 1.95 2.47 12.95 1.15 81.38 0.00 0.08 0.02 100 F C S 51.77 15.83 6.96 21.80 117.75 89.37 -96.11 131.71 98.62 0.36 1.02 25.21 72.92 0.66 0.41 0.34 0.00 0.08 0.39 101 P C C 76.82 4.28 13.03 18.83 115.04 -116.96 -68.98 151.45 98.07 0.27 1.66 92.41 4.24 1.58 0.51 0.95 0.00 0.10 0.21 102 E C C 149.10 1.92 12.85 16.10 112.31 -103.28 -72.73 139.75 96.69 0.49 2.81 88.55 6.06 2.18 0.99 1.62 0.00 0.18 0.42 103 K C C 126.75 6.64 8.54 16.76 115.05 -117.86 -81.69 139.02 96.92 0.55 2.53 80.84 12.22 3.85 0.75 1.66 0.00 0.22 0.45 104 D C C 104.09 3.02 11.06 15.57 114.07 -140.26 -94.16 129.37 97.93 0.70 1.37 77.42 16.34 4.14 0.37 0.99 0.00 0.32 0.42 105 K C C 152.21 2.72 10.34 15.09 111.66 -133.23 -85.32 127.87 97.36 1.92 0.72 87.14 8.67 1.70 0.24 0.41 0.00 1.05 0.79 106 K C C 95.09 6.95 9.39 18.09 122.07 -163.16 -101.21 145.19 94.40 5.20 0.40 90.68 3.86 0.39 0.18 0.16 0.00 3.06 1.67 107 T C C 69.32 2.93 14.78 18.26 120.49 -125.58 -84.45 160.30 68.89 30.67 0.44 67.44 1.91 0.15 0.36 0.09 0.00 7.49 22.56 108 Y H H 115.18 9.28 10.04 20.44 91.76 -109.98 -58.20 -38.26 7.26 0.21 92.53 1.53 1.08 4.25 71.40 21.49 0.04 0.15 0.05 109 R H H 152.70 2.27 13.15 16.33 91.41 57.37 -64.51 -33.51 3.50 0.05 96.45 0.43 0.29 2.39 71.95 24.88 0.01 0.04 0.01 110 E H H 104.61 3.38 13.31 17.81 92.27 54.19 -69.70 -31.85 2.74 0.04 97.22 0.35 0.26 1.84 71.75 25.74 0.01 0.03 0.01 111 V H H 57.82 9.92 10.86 21.67 96.82 48.59 -79.22 -32.33 10.00 0.13 89.87 1.30 1.29 6.85 74.45 15.93 0.05 0.07 0.05 112 F C H 107.51 7.02 11.05 19.23 101.43 47.64 -98.17 2.22 49.75 2.07 48.19 12.37 9.53 29.04 38.12 8.45 0.23 0.84 1.43 113 E C C 107.15 4.37 10.89 17.18 116.37 117.22 -79.82 142.36 85.62 2.25 12.14 51.08 26.42 7.94 9.21 3.15 0.00 0.93 1.27 114 E C C 146.41 1.93 13.30 15.97 110.61 -103.13 -72.78 133.04 87.15 3.31 9.54 62.14 14.46 10.63 5.22 4.20 0.00 2.13 1.22 115 F C C 108.58 10.01 7.40 17.69 114.89 -133.59 -89.81 132.83 88.25 7.31 4.44 70.39 11.00 6.83 1.85 2.48 0.00 5.32 2.14 116 H C C 134.30 2.32 12.23 15.78 118.35 -166.51 -115.54 126.20 84.04 15.50 0.46 68.54 14.60 1.01 0.22 0.28 0.00 12.54 2.81 117 P C C 91.05 5.39 8.36 15.63 113.59 -114.00 -67.66 140.67 81.08 18.07 0.85 69.89 7.72 2.92 0.32 0.56 0.00 14.68 3.91 118 V C C 107.56 3.26 7.78 12.94 113.24 -151.40 -99.62 123.84 91.12 8.34 0.54 89.11 1.16 1.76 0.22 0.19 0.00 4.89 2.66 119 R C C 177.74 2.02 10.04 13.53 111.55 -129.40 -92.41 120.94 99.92 0.08 0.00 99.88 0.06 0.01 0.00 0.00 0.00 0.04 0.00