# 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 K C C 142.48 3.05 13.83 18.18 115.76 -134.86 -90.67 135.64 99.98 0.02 0.00 99.82 0.16 0.01 0.00 0.00 0.00 0.01 0.00 1 P C C 91.71 5.01 10.54 17.40 112.92 -106.83 -66.41 147.00 92.60 0.51 6.89 86.44 1.24 5.79 1.27 4.75 0.00 0.25 0.26 2 H C C 114.98 6.97 9.16 17.59 111.73 -118.11 -84.31 129.18 87.25 1.51 11.24 59.78 13.10 12.80 1.56 11.17 0.00 0.76 0.83 3 R C C 166.42 2.75 12.70 16.81 106.06 -159.17 -92.10 37.65 85.99 2.27 11.74 55.33 18.22 11.26 1.58 11.26 0.00 1.15 1.20 4 Y C C 98.43 11.41 8.63 20.28 118.05 113.85 -98.75 135.63 91.44 3.19 5.37 67.79 18.17 4.52 1.43 4.08 0.00 1.12 2.89 5 R C C 143.24 3.36 13.44 18.36 117.81 -140.89 -94.06 140.36 99.18 0.36 0.46 85.62 12.68 0.84 0.24 0.16 0.00 0.11 0.35 6 P C T 102.12 3.99 11.81 17.44 110.08 -98.04 -61.11 138.55 94.98 0.14 4.89 5.46 5.55 84.33 2.57 1.91 0.00 0.06 0.13 7 G C T 55.76 2.25 14.26 17.21 97.38 21.98 84.86 -3.05 93.77 0.13 6.10 6.63 6.28 81.17 3.52 2.24 0.00 0.06 0.10 8 T C C 44.04 8.85 10.87 21.60 114.31 124.04 -81.53 145.21 71.04 2.03 26.93 52.86 14.74 2.75 26.16 1.45 0.00 0.49 1.54 9 V H H 87.76 3.70 16.33 20.88 94.21 -139.10 -63.70 -39.41 4.47 0.04 95.49 1.67 0.81 1.98 94.75 0.76 0.00 0.02 0.01 10 A H H 37.93 8.65 15.57 25.69 92.21 52.38 -64.26 -41.18 2.25 0.02 97.73 0.71 0.27 1.20 97.01 0.78 0.00 0.01 0.00 11 L H H 48.47 10.10 15.33 26.87 92.04 49.98 -64.95 -40.80 0.84 0.01 99.16 0.27 0.09 0.40 98.70 0.54 0.00 0.00 0.00 12 R H H 115.68 3.63 18.74 22.75 91.82 51.38 -64.04 -41.11 0.45 0.00 99.54 0.12 0.04 0.21 99.43 0.19 0.00 0.00 0.00 13 E H H 86.65 4.69 18.87 24.23 91.81 50.18 -64.61 -41.13 0.61 0.00 99.39 0.12 0.04 0.34 99.35 0.15 0.00 0.00 0.00 14 I H H 40.52 12.45 15.67 29.16 92.26 50.25 -64.82 -41.76 0.70 0.00 99.30 0.13 0.05 0.41 99.24 0.17 0.00 0.00 0.00 15 R H H 116.00 5.44 18.21 24.55 91.77 51.78 -63.93 -40.72 1.03 0.00 98.97 0.18 0.08 0.62 98.71 0.41 0.00 0.00 0.00 16 R H H 130.92 2.40 18.95 20.91 92.19 50.25 -65.21 -40.57 3.11 0.01 96.87 0.38 0.23 2.26 96.30 0.82 0.01 0.00 0.00 17 Y H H 77.61 9.39 15.32 25.97 92.90 49.20 -67.12 -38.69 6.81 0.03 93.15 1.19 0.77 4.54 92.29 1.17 0.01 0.01 0.02 18 Q H H 73.13 11.20 14.45 26.15 92.72 55.05 -65.63 -37.41 14.86 0.12 85.02 4.27 1.99 8.41 82.85 2.36 0.02 0.05 0.06 19 K H H 142.39 1.81 17.87 19.18 93.16 52.07 -69.46 -33.74 29.30 0.18 70.52 4.78 3.67 20.64 67.75 2.96 0.03 0.07 0.10 20 S C H 56.00 4.45 16.23 21.45 99.82 46.51 -86.66 -21.71 50.46 0.34 49.20 20.05 6.65 23.65 46.18 3.13 0.01 0.12 0.21 21 T H H 37.80 14.39 12.94 27.25 95.40 70.88 -67.57 -37.66 19.56 0.17 80.27 10.91 3.90 5.26 77.56 2.22 0.00 0.07 0.08 22 E H H 106.99 5.82 16.90 23.79 93.23 61.16 -63.95 -39.14 7.17 0.07 92.76 2.23 1.14 3.89 89.61 3.05 0.01 0.04 0.02 23 L H H 79.67 3.48 18.02 21.86 92.68 51.55 -65.44 -40.81 4.68 0.07 95.24 1.38 0.69 2.74 91.30 3.81 0.02 0.05 0.02 24 L H H 43.58 11.10 15.55 27.90 92.67 50.93 -65.53 -41.41 3.21 0.04 96.75 0.87 0.44 1.87 92.42 4.35 0.01 0.03 0.01 25 I H H 38.18 15.61 14.28 29.92 92.66 50.83 -66.21 -38.93 4.52 0.04 95.44 0.64 0.43 3.21 87.75 7.93 0.01 0.02 0.01 26 R H H 144.80 3.95 18.16 23.06 92.56 54.28 -67.85 -29.10 21.01 0.04 78.95 0.82 0.94 19.20 72.50 6.45 0.03 0.02 0.02 27 K H H 123.88 4.09 17.86 22.50 96.02 50.21 -87.66 -10.20 46.21 0.07 53.72 1.96 2.84 40.98 48.51 5.58 0.03 0.03 0.07 28 L C C 31.85 17.23 11.52 28.46 109.63 97.67 -77.73 115.05 71.24 0.27 28.49 35.76 28.99 4.52 29.07 1.39 0.00 0.06 0.21 29 P H H 66.92 5.45 19.66 25.86 93.65 -144.31 -63.16 -34.78 25.44 0.12 74.44 9.71 2.90 12.51 72.10 2.65 0.01 0.05 0.07 30 F H H 53.80 14.89 16.95 31.72 93.23 54.70 -66.30 -38.06 10.16 0.06 89.78 3.08 1.14 5.80 87.47 2.45 0.01 0.02 0.03 31 Q H H 61.39 13.07 17.72 30.81 91.99 55.47 -63.74 -40.56 1.79 0.01 98.20 0.71 0.21 0.79 97.08 1.20 0.00 0.00 0.00 32 R H H 122.92 3.76 21.62 25.31 91.94 51.02 -64.92 -40.70 0.99 0.01 99.01 0.30 0.10 0.51 98.50 0.59 0.00 0.00 0.00 33 L H H 51.46 9.10 19.95 29.89 92.07 50.58 -64.61 -42.50 0.72 0.00 99.28 0.18 0.06 0.38 99.05 0.32 0.00 0.00 0.00 34 V H H 18.67 17.89 17.07 35.12 91.95 50.18 -64.23 -42.51 0.44 0.00 99.56 0.10 0.03 0.23 99.50 0.14 0.00 0.00 0.00 35 R H H 106.56 8.32 20.19 29.03 91.55 51.42 -63.25 -41.20 0.46 0.00 99.54 0.08 0.03 0.27 99.46 0.16 0.00 0.00 0.00 36 E H H 96.79 3.02 21.97 24.25 91.72 49.88 -64.59 -41.67 0.86 0.00 99.14 0.11 0.05 0.57 99.02 0.24 0.00 0.00 0.00 37 I H H 39.24 11.23 18.21 30.51 92.26 49.30 -65.05 -41.71 1.60 0.01 98.39 0.23 0.13 1.04 98.14 0.45 0.00 0.00 0.00 38 A H H 17.02 15.01 14.16 30.06 91.96 52.00 -64.76 -38.70 3.88 0.02 96.11 0.63 0.32 2.60 94.81 1.61 0.01 0.01 0.00 39 Q H H 107.98 3.40 17.92 21.85 92.34 52.36 -65.67 -37.62 11.76 0.03 88.21 0.91 0.76 9.79 84.00 4.49 0.02 0.01 0.02 40 D H H 93.66 2.61 17.24 19.78 93.77 49.33 -71.46 -31.65 21.72 0.05 78.23 1.61 1.56 18.32 74.38 4.05 0.03 0.02 0.03 41 F H H 74.34 10.70 12.37 23.93 99.31 45.36 -91.15 -10.78 41.27 0.59 58.14 12.61 7.73 22.74 52.00 4.23 0.07 0.23 0.39 42 L C C 81.65 9.21 10.97 21.07 99.81 75.17 -75.49 -12.15 67.62 1.40 30.98 42.66 7.82 16.36 27.48 4.26 0.01 0.64 0.77 43 T C C 101.39 2.18 13.38 16.11 99.76 71.45 -83.14 -16.51 74.77 0.96 24.27 38.90 14.41 21.25 19.34 5.14 0.00 0.41 0.54 44 D C C 98.81 3.25 12.71 16.87 106.24 52.29 -95.04 64.98 78.39 0.82 20.80 41.01 17.66 19.74 14.58 6.15 0.00 0.33 0.53 45 L C C 94.22 8.04 10.48 19.61 101.07 -156.36 -72.90 1.58 72.01 1.33 26.67 45.71 13.92 12.01 19.28 7.77 0.01 0.63 0.68 46 R C C 151.93 3.26 15.23 19.45 100.39 103.58 -79.39 14.92 66.79 3.16 30.04 43.32 11.99 11.01 22.98 7.72 0.02 1.76 1.21 47 F C C 77.73 12.82 11.50 24.37 106.69 79.72 -87.40 77.32 60.22 4.43 35.34 43.15 9.53 7.51 29.14 6.57 0.02 2.49 1.60 48 Q C C 91.67 6.48 16.18 23.50 108.91 68.26 -82.04 133.72 55.06 1.54 43.40 44.40 5.34 4.67 41.60 2.70 0.00 0.76 0.52 49 S H H 64.90 6.40 15.40 22.69 94.93 -107.41 -65.02 -37.19 17.99 0.21 81.81 9.98 3.53 4.78 80.03 1.51 0.00 0.08 0.08 50 S H H 67.61 2.72 18.76 21.13 93.10 52.57 -66.69 -38.62 6.72 0.07 93.21 3.04 1.03 2.61 92.25 1.01 0.00 0.03 0.03 51 A H H 26.20 10.58 16.13 28.20 92.45 51.46 -65.55 -41.36 2.31 0.03 97.66 1.09 0.29 0.92 97.03 0.63 0.00 0.02 0.01 52 V H H 32.58 14.17 16.35 31.03 92.07 50.06 -64.34 -42.19 0.96 0.01 99.03 0.42 0.11 0.40 98.77 0.29 0.00 0.01 0.00 53 M H H 93.23 4.02 21.14 25.24 91.68 50.37 -64.24 -41.34 0.60 0.01 99.39 0.23 0.06 0.26 99.29 0.15 0.00 0.00 0.00 54 A H H 47.54 4.62 20.39 25.52 91.73 50.69 -64.17 -41.53 0.51 0.00 99.48 0.15 0.04 0.25 99.44 0.11 0.00 0.00 0.00 55 L H H 41.99 13.52 17.75 31.65 92.28 50.14 -64.90 -41.35 0.37 0.00 99.63 0.09 0.03 0.19 99.62 0.07 0.00 0.00 0.00 56 Q H H 74.22 11.03 19.40 30.50 91.95 50.91 -63.42 -41.22 0.32 0.00 99.67 0.07 0.02 0.17 99.68 0.05 0.00 0.00 0.00 57 E H H 110.85 2.66 22.39 24.33 91.95 49.70 -64.91 -41.29 0.41 0.00 99.59 0.07 0.03 0.23 99.62 0.05 0.00 0.00 0.00 58 A H H 43.92 6.16 20.28 27.26 91.91 50.03 -64.91 -41.34 0.59 0.00 99.41 0.09 0.03 0.34 99.47 0.07 0.00 0.00 0.00 59 S H H 23.13 14.45 17.42 32.38 92.09 50.86 -65.05 -40.88 0.77 0.00 99.23 0.14 0.04 0.42 99.30 0.08 0.00 0.00 0.00 60 E H H 88.64 8.34 20.51 29.19 91.96 51.47 -64.04 -40.64 0.41 0.00 99.59 0.05 0.02 0.24 99.63 0.06 0.00 0.00 0.00 61 A H H 56.92 3.40 21.70 24.73 91.77 51.40 -64.77 -40.79 0.24 0.00 99.76 0.03 0.01 0.14 99.77 0.04 0.00 0.00 0.00 62 Y H H 90.71 9.70 20.47 30.46 92.23 49.77 -65.15 -41.61 0.18 0.00 99.82 0.02 0.01 0.11 99.82 0.04 0.00 0.00 0.00 63 L H H 39.19 15.58 18.66 34.06 92.32 50.28 -64.50 -42.28 0.17 0.00 99.83 0.02 0.00 0.11 99.83 0.04 0.00 0.00 0.00 64 V H H 66.32 6.32 21.64 28.39 91.85 50.33 -64.19 -42.05 0.21 0.00 99.79 0.02 0.01 0.13 99.77 0.06 0.00 0.00 0.00 65 A H H 45.27 5.25 21.46 27.29 91.67 50.73 -64.30 -41.51 0.61 0.00 99.38 0.05 0.03 0.44 99.30 0.18 0.00 0.00 0.00 66 L H H 35.54 14.72 18.86 33.70 92.26 50.08 -65.04 -42.00 1.96 0.00 98.03 0.15 0.10 1.51 97.81 0.42 0.00 0.00 0.00 67 F H H 61.36 13.96 19.02 32.83 92.30 50.42 -65.29 -40.91 4.95 0.03 95.02 0.80 0.51 3.31 94.48 0.86 0.01 0.01 0.01 68 E H H 108.66 3.95 22.64 26.48 92.14 51.60 -65.52 -39.55 12.51 0.08 87.40 2.04 1.36 8.64 86.59 1.26 0.03 0.03 0.04 69 D H H 62.25 8.87 21.09 30.19 93.87 47.78 -70.10 -35.53 23.87 0.16 75.97 5.49 2.75 14.84 75.01 1.74 0.02 0.07 0.08 70 T H H 23.50 18.52 17.87 35.63 93.43 54.03 -67.08 -38.23 25.24 0.32 74.44 7.83 3.93 13.73 71.60 2.58 0.04 0.14 0.16 71 N H H 73.97 9.52 22.28 31.70 92.97 54.59 -64.65 -39.44 20.51 0.32 79.17 6.94 2.70 11.16 76.29 2.58 0.03 0.17 0.14 72 L H H 70.82 5.90 23.42 29.41 92.22 51.40 -65.35 -41.94 9.28 0.33 90.39 3.40 1.57 4.81 86.27 3.60 0.05 0.21 0.10 73 C H H 18.96 14.01 18.86 33.77 92.43 50.35 -65.10 -41.59 5.92 0.48 93.60 2.10 0.95 3.24 88.58 4.61 0.05 0.38 0.09 74 A H H 17.05 13.54 16.62 31.39 92.27 51.85 -64.15 -41.03 6.53 0.63 92.85 2.25 1.01 3.60 87.71 4.72 0.06 0.55 0.11 75 I H H 89.95 4.43 19.63 24.23 92.56 49.59 -65.68 -41.37 9.49 0.75 89.76 2.61 1.40 5.90 85.61 3.61 0.11 0.59 0.16 76 H H H 108.20 5.13 17.95 23.74 92.74 48.50 -68.93 -32.94 19.00 0.75 80.26 3.89 2.82 12.92 76.96 2.52 0.19 0.44 0.26 77 A C H 33.86 12.38 12.37 25.47 96.03 50.85 -83.21 -8.29 59.52 0.81 39.66 10.84 8.92 38.27 38.76 2.38 0.06 0.34 0.42 78 K C T 163.12 1.77 17.59 19.58 95.11 -124.37 58.06 33.03 83.01 0.46 16.53 14.28 12.46 55.35 14.82 2.60 0.00 0.21 0.28 79 R C C 106.40 8.47 13.74 23.34 127.51 110.89 -119.04 149.35 90.92 1.21 7.87 34.14 28.80 28.21 5.13 2.52 0.00 0.53 0.65 80 V C C 96.56 6.90 14.90 22.95 99.72 -147.80 -91.20 -9.19 93.44 3.22 3.34 44.21 41.01 8.70 1.56 1.61 0.00 1.82 1.10 81 T C C 75.31 4.19 20.74 25.46 128.28 50.79 -121.48 145.82 91.72 6.15 2.13 57.95 29.35 4.86 0.77 1.32 0.00 4.08 1.67 82 I C C 34.77 20.62 11.31 31.24 112.00 -123.76 -87.34 122.91 92.18 6.39 1.43 77.26 13.30 1.28 0.75 0.70 0.00 2.88 3.83 83 M C C 74.59 6.49 19.77 26.91 125.11 -169.19 -103.11 157.49 99.18 0.34 0.48 95.68 3.45 0.08 0.53 0.02 0.00 0.10 0.14 84 P H H 83.00 6.26 16.24 23.82 90.79 -107.40 -57.67 -38.08 2.12 0.00 97.88 0.24 0.19 1.43 97.52 0.62 0.00 0.00 0.00 85 K H H 119.84 3.56 20.47 24.43 91.55 54.55 -63.89 -38.60 0.83 0.00 99.17 0.08 0.04 0.58 98.76 0.54 0.00 0.00 0.00 86 D H H 15.91 18.46 16.37 34.98 91.99 50.80 -65.24 -41.04 0.21 0.00 99.79 0.04 0.01 0.12 99.44 0.40 0.00 0.00 0.00 87 I H H 23.94 17.38 18.26 35.63 91.70 50.71 -64.23 -41.84 0.07 0.00 99.93 0.01 0.00 0.04 99.87 0.08 0.00 0.00 0.00 88 Q H H 92.85 3.59 24.78 27.91 91.39 50.82 -63.29 -42.16 0.09 0.00 99.91 0.01 0.00 0.05 99.89 0.04 0.00 0.00 0.00 89 L H H 34.44 10.42 21.72 33.30 91.62 50.23 -63.86 -42.46 0.12 0.00 99.88 0.01 0.00 0.08 99.87 0.05 0.00 0.00 0.00 90 A H H 5.07 20.79 16.82 38.28 91.36 51.25 -62.61 -42.93 0.22 0.00 99.78 0.02 0.01 0.13 99.75 0.09 0.00 0.00 0.00 91 R H H 88.94 9.17 20.24 29.99 91.54 51.05 -63.78 -40.94 0.72 0.00 99.28 0.08 0.04 0.49 99.09 0.29 0.00 0.00 0.00 92 R H H 132.74 3.09 20.74 23.83 91.94 50.65 -64.86 -40.57 1.72 0.01 98.28 0.17 0.10 1.27 97.86 0.60 0.00 0.00 0.00 93 I H H 48.76 13.60 16.04 29.95 92.58 49.58 -67.45 -37.48 5.78 0.02 94.20 0.37 0.40 4.78 93.79 0.63 0.01 0.01 0.01 94 R H H 91.46 11.50 14.75 26.63 95.46 46.21 -83.97 -7.41 39.53 0.16 60.31 1.93 3.45 32.96 60.19 1.26 0.06 0.05 0.10 95 G C T 51.20 3.52 15.10 19.66 99.96 -102.26 77.61 10.31 80.64 0.37 18.99 12.02 9.63 58.32 16.28 3.36 0.00 0.15 0.24 96 E C C 108.87 5.72 11.03 18.39 107.25 120.70 -85.27 84.28 80.66 1.19 18.16 46.44 15.58 18.74 10.50 7.49 0.00 0.53 0.72 97 R C C 156.19 4.00 10.98 16.83 109.25 75.47 -90.53 107.91 86.30 1.16 12.54 72.49 2.90 12.26 7.11 3.95 0.00 0.58 0.71 98 A C C 70.45 6.08 12.33 19.86 110.28 -139.80 -86.04 130.32 99.91 0.04 0.05 99.80 0.08 0.07 0.02 0.00 0.00 0.02 0.00