# 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 39.54 7.00 14.22 22.23 114.48 -139.40 81.58 23.80 99.71 0.21 0.08 99.16 0.39 0.25 0.03 0.01 0.00 0.09 0.05 1 L C C 97.37 5.79 11.20 18.40 104.18 -6.93 -81.57 20.83 89.94 1.40 8.66 84.85 2.27 2.24 8.55 0.72 0.00 0.47 0.90 2 E C C 122.92 2.66 13.47 16.88 102.99 34.08 -74.53 -16.36 65.90 0.38 33.71 56.30 4.91 2.41 35.44 0.64 0.00 0.11 0.18 3 P H H 73.90 6.08 12.81 20.32 94.57 34.22 -63.69 -37.11 8.79 0.05 91.16 4.59 1.14 2.66 90.87 0.70 0.00 0.02 0.02 4 Y H H 108.61 8.50 13.81 23.09 93.16 52.90 -66.13 -38.91 2.78 0.03 97.19 1.27 0.35 1.11 96.66 0.58 0.00 0.01 0.01 5 L H H 91.20 4.18 16.58 21.57 92.61 51.63 -65.73 -40.68 0.75 0.01 99.24 0.34 0.09 0.29 98.96 0.31 0.00 0.01 0.00 6 Q H H 94.83 3.50 18.18 21.97 92.40 49.75 -65.22 -42.03 0.41 0.01 99.58 0.18 0.04 0.16 99.50 0.11 0.00 0.00 0.00 7 V H H 55.90 9.11 17.21 27.22 92.44 48.50 -64.81 -42.42 0.44 0.01 99.55 0.16 0.04 0.20 99.51 0.08 0.00 0.01 0.00 8 C H H 48.94 8.80 17.57 27.31 92.03 49.40 -63.86 -41.91 0.61 0.01 99.38 0.19 0.05 0.30 99.38 0.07 0.00 0.00 0.00 9 A H H 59.38 2.89 20.94 23.21 91.89 49.50 -64.75 -41.31 0.59 0.00 99.41 0.16 0.05 0.30 99.43 0.05 0.00 0.00 0.00 10 G H H 31.02 5.03 19.38 25.11 92.28 50.14 -65.18 -41.42 0.72 0.00 99.27 0.17 0.06 0.39 99.32 0.05 0.00 0.00 0.00 11 T H H 40.64 11.51 17.54 29.80 92.40 49.55 -65.19 -41.42 0.53 0.00 99.47 0.10 0.04 0.30 99.51 0.04 0.00 0.00 0.00 12 A H H 51.19 6.29 19.14 26.13 91.86 51.10 -63.77 -41.55 0.34 0.00 99.66 0.06 0.02 0.18 99.70 0.04 0.00 0.00 0.00 13 T H H 79.06 2.26 21.17 22.22 91.83 49.75 -64.76 -41.75 0.32 0.00 99.68 0.06 0.02 0.17 99.70 0.05 0.00 0.00 0.00 14 M H H 80.65 6.86 18.48 26.03 92.23 49.87 -65.18 -41.54 0.42 0.00 99.58 0.07 0.02 0.26 99.55 0.09 0.00 0.00 0.00 15 L H H 63.67 10.12 16.92 27.64 92.04 50.61 -64.28 -41.31 0.71 0.01 99.28 0.09 0.04 0.50 99.20 0.16 0.00 0.01 0.00 16 A H H 57.14 3.39 19.50 22.92 91.99 50.67 -63.57 -42.26 1.54 0.05 98.40 0.23 0.12 1.12 98.18 0.30 0.01 0.03 0.01 17 V H H 79.00 2.82 19.44 21.96 91.66 48.95 -64.45 -41.24 2.58 0.05 97.37 0.47 0.25 1.76 96.73 0.74 0.01 0.03 0.02 18 G H H 19.29 10.61 14.85 26.91 92.17 51.43 -64.35 -40.81 5.41 0.03 94.57 0.60 0.36 4.27 92.82 1.90 0.01 0.02 0.01 19 R H H 112.59 7.59 16.72 25.13 92.15 49.95 -65.49 -39.18 8.03 0.04 91.93 0.66 0.52 6.84 88.10 3.81 0.02 0.02 0.02 20 F H H 134.24 2.25 18.23 20.01 95.78 44.96 -73.53 -35.84 11.25 0.10 88.65 1.11 0.99 9.03 81.62 7.08 0.05 0.05 0.05 21 A H H 58.21 4.78 16.62 22.17 95.07 46.73 -72.76 -35.25 39.53 0.22 60.25 1.75 2.18 34.79 54.33 6.60 0.09 0.11 0.16 22 F H H 78.77 10.00 14.33 25.20 98.58 42.20 -88.11 -22.43 43.10 0.23 56.67 2.86 3.23 35.71 50.49 7.31 0.10 0.10 0.20 23 L H H 66.96 7.94 14.86 24.30 94.06 72.42 -63.06 -42.48 15.48 0.20 84.32 6.70 3.47 6.37 79.38 3.87 0.03 0.10 0.09 24 P H H 68.93 3.66 17.53 21.63 93.31 50.17 -65.46 -37.87 11.24 0.11 88.65 5.04 1.32 4.94 84.76 3.82 0.01 0.06 0.04 25 L H H 72.01 5.87 16.34 23.46 92.89 51.65 -65.85 -40.05 4.48 0.09 95.43 2.00 0.66 1.99 91.28 3.98 0.00 0.06 0.02 26 H H H 81.65 7.26 15.58 24.05 92.82 51.37 -65.29 -40.68 3.92 0.12 95.96 1.80 0.62 1.76 93.25 2.46 0.01 0.09 0.03 27 R H H 128.00 3.37 16.95 20.81 92.62 50.73 -65.58 -40.04 5.69 0.19 94.12 2.63 0.92 2.55 91.62 2.09 0.01 0.12 0.05 28 R H H 122.63 3.35 16.49 20.42 92.55 51.36 -65.51 -40.31 7.23 0.17 92.59 3.18 1.10 3.28 90.50 1.77 0.01 0.10 0.05 29 D H H 71.75 5.54 15.70 22.36 93.00 50.62 -66.25 -39.19 11.57 0.20 88.22 5.00 1.63 5.36 85.92 1.90 0.01 0.11 0.07 30 L H H 79.20 5.43 15.11 21.70 92.91 50.96 -66.09 -40.05 16.11 0.26 83.64 8.63 2.49 5.71 80.65 2.28 0.01 0.12 0.10 31 E H H 106.83 3.04 15.94 19.46 93.11 50.99 -66.33 -38.42 21.95 0.36 77.70 11.91 3.25 7.61 74.27 2.63 0.01 0.17 0.15 32 R H H 127.07 3.48 14.88 19.22 94.37 49.94 -70.47 -33.93 28.36 0.47 71.16 13.84 4.60 11.11 66.49 3.48 0.03 0.22 0.22 33 S H H 54.01 6.05 12.61 20.13 94.81 58.30 -69.32 -34.01 36.43 0.63 62.94 18.09 6.01 13.82 56.97 4.47 0.03 0.29 0.31 34 A H H 68.90 3.89 13.15 18.26 94.76 58.50 -73.11 -27.58 43.57 0.84 55.60 20.24 8.44 16.84 47.51 6.12 0.04 0.38 0.43 35 A C H 73.76 3.46 12.06 16.81 100.66 63.64 -76.66 -19.71 53.22 1.27 45.52 21.83 12.33 20.93 36.44 7.16 0.06 0.56 0.68 36 T C H 98.49 3.11 11.81 16.22 103.72 60.08 -87.04 6.98 63.97 2.02 34.01 26.34 14.52 24.48 26.71 5.95 0.06 0.87 1.08 37 A C C 72.33 4.90 10.45 16.87 104.40 77.73 -88.69 10.67 81.34 2.30 16.36 36.81 27.14 18.10 11.39 4.21 0.02 0.89 1.44 38 G C C 37.63 5.07 12.20 18.88 125.73 -137.51 99.15 -178.63 94.44 2.35 3.22 58.27 30.17 6.07 1.39 1.77 0.00 1.09 1.25 39 P C C 98.64 3.72 12.80 17.91 107.72 -42.76 -69.70 136.45 88.82 2.43 8.74 49.77 18.78 20.47 2.41 6.19 0.00 1.27 1.11 40 K C C 140.62 3.87 11.94 17.45 109.85 -137.51 -88.41 115.75 83.89 5.95 10.16 47.29 19.46 17.42 3.30 6.70 0.01 3.10 2.72 41 T C C 74.91 7.68 10.23 19.18 113.72 -159.72 -96.63 129.45 83.22 6.02 10.76 51.69 21.03 10.54 4.98 5.72 0.01 3.09 2.94 42 T C C 95.58 3.65 12.86 17.93 109.79 -164.53 -91.75 109.35 85.12 3.33 11.55 45.39 18.94 21.34 5.82 5.27 0.01 1.69 1.55 43 G C C 45.78 6.00 12.86 19.97 103.11 -84.61 72.71 -1.75 80.30 2.10 17.59 32.30 24.72 24.07 10.67 6.12 0.02 0.93 1.17 44 S C C 59.68 6.70 12.52 20.59 108.48 104.36 -86.63 98.62 62.26 3.00 34.74 37.06 15.33 10.40 27.05 7.33 0.03 1.44 1.35 45 T H H 80.13 4.92 14.65 20.57 100.54 62.18 -79.12 -21.92 46.36 4.68 48.96 28.17 9.77 10.14 39.98 7.54 0.08 2.89 1.43 46 Y H H 100.98 9.41 14.05 24.16 99.75 53.96 -78.59 -23.45 36.34 4.21 59.45 22.72 7.22 8.67 50.33 7.08 0.08 2.71 1.19 47 F H H 79.61 10.78 13.45 24.76 96.22 62.06 -68.48 -38.93 21.51 1.53 76.96 14.08 4.37 5.18 70.53 4.45 0.03 0.95 0.41 48 D H H 88.30 2.93 17.67 20.61 93.71 53.67 -66.32 -39.77 14.50 0.73 84.77 8.55 2.64 4.77 79.61 3.72 0.02 0.50 0.18 49 S H H 52.31 4.51 17.05 22.34 93.38 50.41 -66.92 -37.96 11.06 0.45 88.49 5.56 2.00 4.57 83.88 3.53 0.03 0.29 0.13 50 L H H 42.57 13.27 13.09 26.94 93.27 51.94 -66.13 -38.98 9.19 0.32 90.50 4.91 1.61 3.56 86.48 3.12 0.02 0.20 0.09 51 Q H H 92.52 6.71 16.16 23.93 92.33 53.44 -64.70 -39.56 7.64 0.25 92.11 3.94 1.26 3.11 88.65 2.80 0.01 0.16 0.07 52 Q H H 117.20 1.86 18.53 19.50 92.80 49.16 -66.44 -39.62 9.22 0.29 90.50 3.62 1.56 4.63 87.05 2.86 0.03 0.18 0.09 53 E H H 88.43 6.72 16.67 24.32 93.36 47.52 -68.37 -37.73 13.75 0.34 85.92 4.90 2.24 7.25 82.54 2.73 0.04 0.18 0.13 54 A H H 28.12 13.42 12.55 26.60 93.32 54.81 -66.76 -36.19 24.20 0.53 75.27 12.51 4.07 8.98 68.91 4.99 0.02 0.28 0.23 55 S H H 61.00 4.72 17.21 22.64 92.81 58.53 -65.35 -36.61 30.61 0.69 68.70 13.03 4.51 13.78 57.78 10.17 0.04 0.41 0.29 56 F H H 114.92 4.04 17.12 21.76 93.54 53.13 -69.63 -35.70 31.09 0.87 68.04 11.34 4.76 15.14 54.40 13.43 0.08 0.52 0.34 57 I H H 61.35 12.19 13.56 26.01 95.48 53.09 -73.50 -34.55 34.42 1.55 64.03 13.56 6.42 15.66 51.12 11.58 0.13 0.91 0.62 58 T H H 70.48 8.85 14.57 24.11 99.10 53.03 -85.03 -16.75 48.52 2.68 48.80 19.43 8.14 22.37 38.86 8.46 0.13 1.48 1.13 59 S C C 73.75 4.17 15.21 20.29 100.92 67.65 -85.02 -5.05 68.95 4.56 26.49 32.81 14.17 22.82 19.46 6.42 0.07 2.38 1.87 60 T C C 64.90 8.90 11.96 21.82 111.18 65.63 -94.97 113.49 83.15 5.77 11.07 48.63 19.74 15.03 7.51 3.43 0.02 2.67 2.96 61 N C S 120.83 3.63 15.21 19.99 98.56 -128.36 -71.76 19.94 94.29 2.21 3.50 38.20 43.04 13.43 1.49 1.74 0.00 1.08 1.02 62 D C C 63.06 9.11 13.33 23.82 113.95 114.61 -96.51 118.73 92.89 2.08 5.03 47.57 40.58 4.93 3.35 1.45 0.00 0.80 1.32 63 P C T 75.36 9.02 15.16 25.18 95.93 -140.00 -65.53 -18.09 65.93 1.30 32.77 24.04 11.47 31.42 20.83 10.82 0.03 0.61 0.78 64 A C T 52.86 9.29 16.78 26.59 96.58 71.06 -76.01 -18.23 57.17 1.50 41.32 13.82 9.69 33.75 28.69 12.19 0.17 0.76 0.93 65 G C H 26.88 11.44 18.29 29.78 99.77 36.08 17.26 -17.16 49.45 2.51 48.04 21.09 11.93 18.14 34.80 11.40 0.17 1.31 1.16 66 F H H 60.64 15.62 17.03 31.91 100.58 78.17 -83.10 -4.39 45.74 3.19 51.08 31.50 7.98 7.72 44.70 5.17 0.04 1.75 1.14 67 T H H 45.79 12.83 19.82 32.28 105.25 91.86 -73.94 -92.45 33.24 2.94 63.82 22.52 6.81 6.07 59.56 2.52 0.05 1.44 1.02 68 L H H 77.43 10.37 20.66 30.75 93.22 28.45 -64.91 -39.93 6.06 0.38 93.55 1.92 1.23 3.41 91.26 1.78 0.07 0.25 0.09 69 I H H 67.55 9.36 21.58 31.08 93.03 48.34 -65.89 -41.96 3.70 0.39 95.91 1.07 0.60 2.27 93.66 1.99 0.06 0.30 0.06 70 D H H 32.02 16.14 19.89 35.54 92.46 49.37 -65.49 -41.48 4.55 0.37 95.08 1.36 0.69 2.79 92.29 2.46 0.06 0.28 0.08 71 T H H 32.17 16.50 19.92 35.66 92.66 47.44 -66.45 -41.77 6.06 0.22 93.72 1.07 0.81 4.41 90.52 2.90 0.08 0.14 0.07 72 M H H 81.75 9.01 23.08 31.98 92.54 49.55 -66.70 -38.59 11.41 0.14 88.45 1.20 1.16 9.28 84.16 3.97 0.08 0.08 0.06 73 A H H 38.78 11.62 21.29 32.92 92.76 51.21 -69.46 -32.14 31.25 0.20 68.56 2.51 2.45 26.28 64.49 3.96 0.10 0.09 0.13 74 W H H 80.47 15.56 20.80 35.39 97.93 43.54 -91.56 -10.20 44.56 0.66 54.79 9.95 7.32 28.36 49.24 4.30 0.11 0.27 0.45 75 G H H 19.34 15.59 19.80 34.56 106.46 76.70 -67.51 -102.85 34.77 0.57 64.66 10.00 8.90 17.25 59.97 3.22 0.10 0.23 0.34 76 A H H 55.81 8.28 23.40 31.58 93.48 -18.57 -65.69 -38.79 16.58 0.21 83.22 4.36 2.84 9.97 80.04 2.56 0.04 0.09 0.11 77 L H H 72.51 9.03 24.50 33.51 92.30 50.31 -65.41 -41.45 5.53 0.06 94.40 1.61 0.85 3.05 92.83 1.59 0.01 0.03 0.02 78 G H H 8.93 18.91 20.25 38.76 91.90 51.06 -63.76 -41.95 3.22 0.04 96.73 1.12 0.44 1.64 95.72 1.03 0.00 0.02 0.01 79 H H H 63.57 14.73 23.53 37.29 92.04 50.74 -64.21 -41.62 2.08 0.05 97.87 0.76 0.27 1.05 97.26 0.61 0.00 0.03 0.01 80 A H H 45.67 8.14 25.74 34.13 92.12 50.11 -64.77 -42.38 0.74 0.01 99.25 0.21 0.07 0.39 99.11 0.22 0.00 0.01 0.00 81 L H H 53.12 12.03 25.36 37.29 92.09 48.34 -64.42 -42.11 0.37 0.00 99.63 0.08 0.03 0.20 99.59 0.10 0.00 0.00 0.00 82 G H H 9.29 18.34 21.30 39.44 91.78 51.34 -63.30 -42.83 0.31 0.00 99.68 0.04 0.02 0.19 99.68 0.07 0.00 0.00 0.00 83 F H H 77.64 10.99 24.83 35.71 91.83 49.74 -64.05 -42.31 0.16 0.00 99.84 0.02 0.01 0.10 99.83 0.04 0.00 0.00 0.00 84 A H H 43.99 8.34 24.24 32.78 92.12 50.01 -64.55 -42.64 0.18 0.00 99.82 0.02 0.01 0.11 99.82 0.04 0.00 0.00 0.00 85 F H H 59.05 13.22 22.07 35.03 92.10 49.07 -64.80 -42.46 0.27 0.00 99.73 0.03 0.01 0.19 99.71 0.06 0.00 0.00 0.00 86 L H H 45.65 13.28 20.61 33.86 91.99 49.27 -64.59 -42.37 0.47 0.00 99.52 0.05 0.03 0.32 99.48 0.12 0.00 0.00 0.00 87 A H H 45.17 6.56 20.21 27.40 91.79 49.84 -64.32 -41.18 1.43 0.00 98.56 0.17 0.09 1.01 98.41 0.32 0.00 0.00 0.00 88 A H H 43.71 6.62 17.31 25.06 92.36 50.25 -65.87 -39.48 4.53 0.01 95.45 0.62 0.38 3.25 94.75 0.98 0.00 0.00 0.00 89 S H H 48.40 9.12 15.09 25.04 93.09 52.95 -68.82 -32.95 12.86 0.04 87.10 1.73 1.15 9.69 84.95 2.42 0.01 0.02 0.03 90 S H H 66.20 6.11 13.77 20.92 94.23 56.84 -74.56 -19.39 32.29 0.19 67.52 4.94 2.83 24.31 64.84 2.86 0.03 0.07 0.12 91 L C H 110.52 3.91 11.44 16.85 98.84 61.17 -83.70 -3.04 56.36 0.50 43.14 27.56 2.10 26.15 41.10 2.57 0.00 0.19 0.33 92 Q C C 126.44 3.90 12.52 18.07 105.10 103.25 -78.51 66.55 99.92 0.03 0.05 99.66 0.12 0.17 0.03 0.00 0.00 0.01 0.01