# 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 G C C 50.43 3.66 13.70 18.71 109.78 -124.12 81.87 17.14 99.94 0.04 0.02 99.68 0.16 0.12 0.00 0.00 0.00 0.02 0.01 1 G C C 49.96 3.80 10.93 16.45 115.75 -60.95 120.53 175.61 94.38 1.63 4.00 83.59 3.62 7.58 1.05 2.48 0.00 0.95 0.74 2 V C C 106.36 3.81 8.83 14.45 112.68 -88.96 -91.23 128.31 89.07 5.48 5.45 56.86 21.98 10.30 1.43 3.99 0.00 3.11 2.32 3 M C C 126.81 3.61 9.07 14.51 113.51 -148.98 -93.10 128.98 88.00 6.41 5.58 58.21 23.33 6.41 1.81 3.76 0.00 3.51 2.97 4 K C C 137.38 3.42 10.31 15.65 116.27 -130.33 -92.53 133.62 93.33 2.83 3.84 69.60 21.53 2.40 1.85 1.92 0.00 1.52 1.19 5 P C C 92.12 4.63 10.18 16.61 111.26 -104.43 -69.03 145.89 85.17 2.05 12.78 65.55 8.81 9.78 2.92 10.91 0.00 1.25 0.77 6 H C C 121.68 5.96 10.01 17.56 111.88 -132.54 -89.10 125.04 82.24 2.27 15.49 51.68 15.90 13.15 2.83 14.16 0.00 1.20 1.08 7 R C C 162.24 3.12 12.55 17.17 111.27 -157.38 -94.79 117.33 84.14 3.02 12.84 55.34 16.87 10.71 2.36 11.70 0.00 1.64 1.38 8 Y C C 106.13 10.64 8.83 20.00 118.16 -139.54 -98.10 136.75 91.48 3.71 4.81 69.44 17.33 3.71 1.60 3.30 0.00 1.36 3.26 9 R C C 145.83 3.32 13.64 18.47 118.11 -143.71 -95.48 140.05 99.24 0.30 0.46 88.50 10.01 0.73 0.25 0.15 0.00 0.09 0.28 10 P C T 101.60 4.00 11.91 17.56 110.18 -99.10 -61.40 138.92 93.69 0.15 6.16 5.88 5.53 82.58 3.55 2.25 0.00 0.07 0.14 11 G C T 54.11 2.68 14.31 17.86 97.48 21.69 84.65 -3.25 92.67 0.14 7.20 7.19 6.15 79.55 4.47 2.47 0.00 0.07 0.10 12 T C C 45.32 8.62 11.19 21.71 112.98 124.51 -78.96 148.08 65.69 1.78 32.53 49.26 12.96 3.01 31.44 1.63 0.00 0.46 1.23 13 V H H 87.94 3.56 16.30 20.63 94.20 -125.99 -63.94 -39.68 4.43 0.04 95.53 1.78 0.76 1.83 94.84 0.74 0.00 0.01 0.02 14 A H H 40.27 7.74 15.66 24.93 92.25 52.21 -64.21 -41.30 2.23 0.02 97.75 0.78 0.27 1.13 97.03 0.77 0.00 0.01 0.00 15 L H H 51.72 9.57 15.30 26.35 92.23 50.13 -65.22 -40.88 0.86 0.01 99.13 0.30 0.09 0.40 98.70 0.50 0.00 0.00 0.00 16 R H H 115.89 3.68 18.44 22.59 91.93 51.42 -64.11 -41.14 0.45 0.00 99.54 0.13 0.04 0.21 99.43 0.18 0.00 0.00 0.00 17 E H H 88.43 4.44 18.68 23.74 91.81 50.28 -64.69 -41.06 0.57 0.00 99.42 0.12 0.04 0.32 99.37 0.14 0.00 0.00 0.00 18 I H H 44.49 11.57 15.69 28.42 92.29 50.25 -64.97 -41.66 0.67 0.00 99.32 0.13 0.05 0.38 99.27 0.16 0.00 0.00 0.00 19 R H H 115.94 5.39 17.98 24.27 91.81 51.56 -64.07 -40.65 1.02 0.00 98.98 0.20 0.08 0.59 98.78 0.34 0.00 0.00 0.00 20 R H H 130.69 2.39 18.73 20.72 92.16 50.31 -65.17 -40.61 2.95 0.01 97.04 0.41 0.23 2.07 96.56 0.72 0.01 0.01 0.00 21 Y H H 80.93 8.82 15.32 25.44 92.85 49.26 -67.08 -38.66 6.25 0.04 93.72 1.16 0.72 4.09 92.95 1.04 0.01 0.01 0.02 22 Q H H 73.10 10.92 14.25 25.75 92.71 54.39 -65.86 -37.07 13.74 0.11 86.15 3.84 1.79 7.87 84.17 2.21 0.02 0.05 0.06 23 K H H 142.33 1.84 17.59 19.00 93.34 52.27 -69.76 -33.07 28.84 0.17 70.98 4.10 3.39 21.04 68.45 2.81 0.04 0.07 0.10 24 S C H 56.95 4.35 15.98 21.11 100.40 45.07 -89.47 -18.57 52.27 0.34 47.39 18.86 6.67 26.72 44.30 3.11 0.01 0.12 0.22 25 T H H 41.13 13.45 12.79 26.36 96.33 69.83 -68.75 -37.15 19.74 0.17 80.08 10.88 4.24 5.18 77.38 2.17 0.00 0.07 0.08 26 E H H 108.77 5.42 16.57 23.12 93.26 62.71 -63.98 -38.47 7.03 0.06 92.90 2.05 1.10 3.94 89.81 3.04 0.01 0.03 0.02 27 L H H 79.26 3.50 17.65 21.62 92.70 51.74 -65.70 -40.84 4.42 0.06 95.52 1.25 0.62 2.62 91.70 3.73 0.02 0.04 0.02 28 L H H 44.31 10.89 15.24 27.43 92.59 50.86 -65.41 -41.11 2.84 0.04 97.13 0.76 0.37 1.65 93.04 4.14 0.00 0.03 0.01 29 I H H 41.98 14.75 14.23 29.22 92.56 50.75 -65.92 -38.84 4.01 0.03 95.96 0.54 0.35 2.87 88.61 7.59 0.01 0.02 0.01 30 R H H 145.54 3.80 18.06 22.78 92.39 54.29 -67.76 -28.85 19.76 0.03 80.21 0.69 0.83 18.29 73.92 6.21 0.03 0.01 0.02 31 K H H 122.23 4.30 17.71 22.62 96.28 50.17 -88.23 -10.21 45.64 0.06 54.30 1.71 2.55 41.03 49.25 5.35 0.03 0.02 0.06 32 L C C 32.44 17.16 11.47 28.38 109.19 99.62 -78.08 118.95 70.06 0.27 29.67 35.89 28.00 4.48 29.90 1.47 0.00 0.06 0.21 33 P H H 67.79 5.32 19.63 25.66 93.68 -140.33 -63.10 -34.42 25.06 0.10 74.83 8.12 2.80 13.81 72.32 2.83 0.01 0.04 0.07 34 F H H 53.70 14.83 16.84 31.60 92.99 54.55 -66.36 -37.15 10.88 0.06 89.06 3.08 1.12 6.47 86.74 2.53 0.01 0.02 0.03 35 Q H H 60.76 13.01 17.58 30.66 92.07 55.76 -63.41 -40.52 1.66 0.01 98.33 0.67 0.19 0.72 97.37 1.05 0.00 0.00 0.00 36 R H H 123.39 3.59 21.72 25.15 91.91 50.90 -64.87 -40.66 0.81 0.00 99.19 0.24 0.08 0.41 98.81 0.46 0.00 0.00 0.00 37 L H H 51.70 9.08 19.93 29.87 92.04 50.67 -64.64 -42.06 0.57 0.00 99.43 0.13 0.04 0.30 99.26 0.25 0.00 0.00 0.00 38 V H H 18.71 17.80 16.93 34.95 91.89 50.26 -64.11 -42.44 0.36 0.00 99.64 0.07 0.02 0.19 99.60 0.11 0.00 0.00 0.00 39 R H H 109.27 7.74 20.23 28.55 91.57 51.41 -63.21 -41.15 0.41 0.00 99.59 0.06 0.02 0.25 99.53 0.14 0.00 0.00 0.00 40 E H H 96.27 2.91 21.83 23.96 91.70 50.01 -64.70 -41.51 0.86 0.00 99.14 0.10 0.05 0.60 99.01 0.24 0.00 0.00 0.00 41 I H H 36.85 11.33 17.70 30.27 92.22 49.48 -65.09 -41.80 1.61 0.00 98.39 0.20 0.12 1.09 98.03 0.56 0.00 0.00 0.00 42 A H H 16.61 14.73 13.58 29.36 91.79 52.33 -64.82 -37.92 4.49 0.01 95.49 0.60 0.33 3.18 93.42 2.45 0.00 0.00 0.00 43 Q H H 114.80 2.75 17.62 20.75 92.39 52.94 -66.03 -36.30 18.89 0.03 81.08 1.00 0.98 16.75 76.58 4.63 0.02 0.01 0.02 44 D H H 98.10 2.55 16.22 18.97 93.85 51.70 -75.69 -24.89 33.73 0.07 66.20 2.26 2.48 28.75 62.18 4.22 0.03 0.03 0.05 45 F C C 77.42 11.16 10.19 21.94 102.42 58.75 -91.10 11.37 67.48 0.77 31.75 34.89 13.91 18.80 27.81 3.76 0.01 0.25 0.57 46 K C C 146.01 3.11 13.53 18.05 101.03 -140.48 -59.62 10.20 87.82 0.78 11.40 61.01 10.15 16.20 8.93 2.85 0.00 0.35 0.53 47 T C C 86.96 4.42 11.70 17.50 106.10 94.69 -93.44 10.22 83.89 0.84 15.27 43.24 24.29 16.23 11.32 4.04 0.00 0.33 0.55 48 D C C 88.55 4.44 12.30 18.09 105.54 71.28 -84.66 63.86 71.92 0.78 27.30 46.14 14.55 10.69 22.73 5.15 0.00 0.30 0.44 49 L H H 100.23 5.68 11.93 19.03 95.70 -145.16 -68.89 -26.59 39.30 0.66 60.04 21.73 7.27 10.86 51.05 8.46 0.01 0.33 0.28 50 R H H 147.81 2.94 15.72 19.34 94.46 61.67 -67.54 -33.03 28.96 0.93 70.11 16.67 4.24 8.71 61.65 7.84 0.02 0.57 0.30 51 F H H 74.75 9.82 13.75 24.61 94.89 53.42 -72.04 -33.24 16.81 0.64 82.55 11.15 2.33 4.19 76.30 5.45 0.01 0.40 0.18 52 Q H H 75.99 11.29 15.84 27.33 93.23 63.87 -64.73 -41.27 6.68 0.13 93.19 4.43 0.84 1.59 91.82 1.22 0.00 0.07 0.03 53 S H H 63.29 4.36 19.19 23.87 92.87 51.54 -65.41 -40.00 2.71 0.03 97.26 1.22 0.37 1.11 96.55 0.73 0.00 0.01 0.01 54 A H H 55.81 3.81 20.72 24.39 92.30 50.24 -65.34 -41.04 1.74 0.01 98.24 0.63 0.21 0.82 97.81 0.52 0.00 0.01 0.00 55 A H H 19.87 13.77 17.12 31.77 92.21 50.20 -64.81 -42.05 1.35 0.01 98.63 0.45 0.14 0.66 98.40 0.33 0.00 0.00 0.00 56 I H H 48.78 12.88 19.03 32.18 91.93 49.70 -64.00 -42.04 0.72 0.00 99.28 0.21 0.07 0.35 99.23 0.14 0.00 0.00 0.00 57 G H H 33.02 3.79 22.05 25.83 91.49 50.93 -63.01 -42.21 0.60 0.00 99.40 0.14 0.04 0.31 99.40 0.10 0.00 0.00 0.00 58 A H H 43.55 6.21 21.24 28.06 91.70 50.31 -64.53 -41.60 0.43 0.00 99.57 0.08 0.03 0.24 99.56 0.08 0.00 0.00 0.00 59 L H H 37.15 15.19 18.37 33.59 92.04 50.33 -64.37 -41.79 0.25 0.00 99.75 0.05 0.01 0.14 99.75 0.06 0.00 0.00 0.00 60 Q H H 79.86 10.07 20.68 30.90 91.73 50.86 -63.35 -41.34 0.22 0.00 99.78 0.04 0.01 0.12 99.79 0.04 0.00 0.00 0.00 61 E H H 111.95 2.74 23.34 25.34 91.84 49.30 -64.94 -41.35 0.26 0.00 99.74 0.04 0.01 0.15 99.76 0.04 0.00 0.00 0.00 62 A H H 37.13 7.83 20.51 29.40 91.83 49.92 -64.60 -41.61 0.34 0.00 99.66 0.04 0.02 0.20 99.69 0.05 0.00 0.00 0.00 63 S H H 22.26 15.26 18.19 33.67 91.97 51.11 -64.45 -41.18 0.51 0.00 99.49 0.07 0.02 0.29 99.54 0.07 0.00 0.00 0.00 64 E H H 88.48 8.53 21.12 30.03 91.77 51.30 -63.83 -40.66 0.33 0.00 99.67 0.04 0.01 0.20 99.69 0.06 0.00 0.00 0.00 65 A H H 55.98 3.94 22.17 25.91 91.81 51.44 -64.73 -41.00 0.26 0.00 99.74 0.03 0.01 0.16 99.74 0.06 0.00 0.00 0.00 66 Y H H 87.25 10.56 20.84 31.54 92.11 49.92 -65.58 -41.55 0.29 0.00 99.71 0.03 0.01 0.19 99.69 0.09 0.00 0.00 0.00 67 L H H 35.20 16.53 18.87 34.97 92.20 49.82 -64.65 -41.93 0.41 0.00 99.59 0.04 0.02 0.27 99.54 0.13 0.00 0.00 0.00 68 V H H 64.13 7.25 21.20 29.09 91.85 50.78 -64.06 -41.81 0.82 0.00 99.18 0.09 0.05 0.56 99.00 0.29 0.00 0.00 0.00 69 G H H 28.92 5.32 21.11 27.12 91.96 51.01 -64.36 -41.16 3.89 0.01 96.11 0.32 0.22 3.10 95.42 0.93 0.01 0.00 0.00 70 L H H 36.44 14.39 18.67 33.26 92.46 50.34 -65.98 -41.19 7.91 0.03 92.06 0.73 0.59 6.30 90.63 1.70 0.02 0.01 0.01 71 F H H 55.43 15.18 17.74 32.60 92.89 50.51 -67.86 -38.46 13.61 0.21 86.18 3.79 2.25 8.04 82.79 2.87 0.05 0.10 0.10 72 E H H 112.49 4.28 21.14 25.78 93.11 53.29 -66.85 -36.85 24.62 0.40 74.98 6.64 3.89 14.55 71.58 2.90 0.06 0.19 0.19 73 D H H 73.00 7.58 19.81 27.67 96.32 46.45 -77.60 -26.21 39.11 0.43 60.46 12.46 6.07 20.71 57.16 3.16 0.03 0.18 0.23 74 T H H 32.12 17.23 16.62 32.92 96.98 56.86 -76.63 -29.76 43.37 0.71 55.92 18.63 8.37 16.82 51.92 3.57 0.03 0.30 0.36 75 N H H 75.21 9.94 20.68 30.56 94.64 70.58 -64.98 -32.50 32.76 0.74 66.51 15.79 4.99 12.86 61.83 3.82 0.03 0.38 0.31 76 L H H 66.36 7.52 21.71 29.59 92.89 59.89 -65.58 -41.02 12.95 0.68 86.37 5.42 2.37 6.11 79.76 5.62 0.06 0.46 0.19 77 C H H 21.71 13.65 18.31 32.83 92.47 51.11 -65.57 -40.98 7.87 0.95 91.18 3.06 1.33 4.07 83.59 6.90 0.07 0.83 0.15 78 A H H 20.43 12.29 16.50 30.20 92.40 52.17 -64.70 -40.58 7.63 1.31 91.06 3.01 1.27 3.89 83.44 6.85 0.08 1.29 0.17 79 I H H 84.74 5.31 18.85 24.73 92.75 50.18 -66.39 -40.73 10.75 1.83 87.42 3.46 1.75 6.19 81.50 5.06 0.16 1.60 0.29 80 H H H 102.82 6.17 17.35 24.34 93.59 48.87 -70.15 -31.73 21.22 1.78 77.00 5.37 3.42 13.44 72.19 3.58 0.28 1.22 0.49 81 A C H 36.25 12.02 12.53 25.29 96.32 51.79 -83.67 -8.24 58.13 1.13 40.74 12.27 9.03 35.94 38.75 2.88 0.08 0.53 0.54 82 K C T 161.44 1.95 17.14 19.60 95.29 -123.05 57.32 31.50 80.81 0.59 18.59 14.36 12.79 52.87 16.15 3.20 0.01 0.27 0.34 83 R C C 110.81 7.95 13.72 22.86 124.68 112.53 -115.41 143.00 88.42 1.73 9.85 32.93 25.42 30.44 6.41 3.16 0.00 0.85 0.79 84 V C C 94.91 7.19 14.53 22.86 99.83 -149.93 -91.50 -7.65 90.39 4.89 4.72 48.20 33.90 8.67 2.53 2.15 0.00 3.06 1.48 85 T C C 75.77 4.51 20.29 25.33 126.33 61.79 -120.17 143.13 89.46 7.41 3.13 59.90 24.37 5.44 1.29 1.84 0.00 5.33 1.83 86 I C C 35.07 20.46 11.36 31.09 111.58 -128.63 -89.77 120.61 90.00 7.38 2.62 73.90 14.07 1.59 1.36 1.36 0.00 3.78 3.94 87 M C C 76.17 6.17 19.65 26.46 125.24 -167.31 -103.41 156.39 97.99 0.43 1.57 93.18 4.52 0.16 1.77 0.05 0.00 0.14 0.19 88 P H H 81.96 6.48 15.59 23.42 90.85 -107.42 -57.64 -38.17 2.38 0.00 97.62 0.28 0.22 1.60 97.17 0.72 0.00 0.00 0.00 89 K H H 124.45 2.90 20.06 23.04 91.50 54.13 -64.12 -38.79 1.05 0.00 98.95 0.11 0.06 0.72 98.46 0.65 0.00 0.00 0.00 90 D H H 18.56 17.15 16.06 33.53 91.93 50.58 -65.35 -40.93 0.30 0.00 99.70 0.06 0.02 0.15 99.29 0.47 0.00 0.00 0.00 91 I H H 24.65 17.28 17.32 34.68 91.88 50.86 -63.94 -41.81 0.09 0.00 99.91 0.01 0.00 0.04 99.85 0.08 0.00 0.00 0.00 92 Q H H 94.48 3.20 23.91 26.41 91.29 50.85 -63.32 -42.29 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.04 0.00 0.00 0.00 93 L H H 44.18 8.33 21.10 30.73 91.64 50.06 -63.91 -42.22 0.10 0.00 99.90 0.01 0.00 0.06 99.89 0.04 0.00 0.00 0.00 94 A H H 5.87 19.72 15.52 36.03 91.43 51.21 -62.92 -42.54 0.15 0.00 99.85 0.01 0.00 0.09 99.83 0.05 0.00 0.00 0.00 95 R H H 99.23 8.58 19.00 28.29 91.50 51.11 -63.61 -40.88 0.46 0.00 99.54 0.05 0.02 0.30 99.46 0.16 0.00 0.00 0.00 96 R H H 146.50 1.98 19.52 20.86 91.91 50.26 -64.86 -40.66 1.21 0.00 98.78 0.11 0.06 0.88 98.57 0.38 0.00 0.00 0.00 97 I H H 61.42 10.99 14.87 26.65 92.76 48.81 -67.83 -37.54 4.91 0.01 95.08 0.32 0.31 3.93 94.89 0.54 0.00 0.00 0.00 98 R H H 99.59 10.65 12.29 23.51 95.40 46.74 -82.97 -14.00 33.98 0.08 65.94 1.91 2.53 28.40 66.14 0.90 0.02 0.02 0.06 99 G C T 54.34 2.79 13.77 17.66 100.45 -100.71 76.17 8.45 91.73 0.16 8.11 28.22 1.65 60.80 8.59 0.56 0.00 0.05 0.11 100 E C C 123.41 4.54 12.64 18.87 106.61 133.07 -82.06 92.83 99.96 0.02 0.02 99.88 0.06 0.04 0.01 0.00 0.00 0.01 0.00