# 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 92.13 8.42 12.33 21.85 116.00 -163.27 -96.31 130.07 99.88 0.08 0.04 99.79 0.08 0.06 0.02 0.00 0.00 0.03 0.01 1 G C C 36.88 5.06 11.93 18.35 115.31 -160.41 -86.30 168.05 80.87 1.24 17.89 75.28 1.18 4.16 17.21 1.05 0.00 0.49 0.63 2 L H H 113.41 2.64 11.02 14.76 96.09 -70.60 -68.17 -35.83 30.62 0.68 68.70 18.06 5.83 8.67 62.33 4.46 0.02 0.33 0.29 3 E H H 115.90 2.80 12.31 16.16 94.31 53.53 -67.74 -36.42 21.06 0.44 78.50 11.51 3.80 7.03 71.68 5.55 0.02 0.24 0.16 4 D H H 66.85 5.81 11.73 19.27 94.46 54.88 -68.15 -36.69 14.18 0.31 85.51 8.67 2.38 4.17 78.60 5.88 0.01 0.18 0.10 5 E H H 96.52 4.32 13.60 19.24 93.89 55.10 -66.98 -37.82 9.17 0.25 90.57 5.06 1.56 3.22 85.70 4.21 0.01 0.16 0.07 6 Q H H 93.17 3.66 14.26 18.89 93.73 53.54 -67.17 -38.64 9.13 0.44 90.43 4.78 1.56 3.53 85.65 4.06 0.02 0.29 0.11 7 R H H 110.01 5.89 13.07 20.37 94.39 52.43 -67.96 -38.13 10.46 0.69 88.85 5.64 1.71 3.99 84.24 3.76 0.03 0.45 0.18 8 M H H 100.21 5.80 12.53 19.60 95.25 52.19 -71.75 -34.43 14.12 0.73 85.15 6.28 2.31 6.44 80.61 3.63 0.05 0.45 0.23 9 L H H 111.58 3.18 13.71 17.69 98.23 47.14 -77.94 -30.99 24.46 0.64 74.91 6.36 4.29 14.70 71.03 2.92 0.10 0.31 0.29 10 T H H 86.50 3.39 13.38 17.56 101.86 38.28 -96.55 -7.68 46.55 0.66 52.79 8.98 10.96 27.04 50.26 2.05 0.09 0.23 0.38 11 G C C 42.95 5.69 11.70 18.92 107.15 -125.14 79.76 21.93 95.88 0.84 3.28 45.11 29.51 21.61 1.53 1.39 0.00 0.36 0.49 12 S C C 76.30 3.94 12.36 17.73 111.35 103.37 -92.22 126.17 97.23 0.79 1.98 59.66 24.73 12.88 0.62 1.27 0.00 0.37 0.48 13 G C C 43.30 4.63 12.28 18.48 118.62 25.31 92.74 -172.45 97.59 0.57 1.85 53.79 36.87 6.98 0.88 0.87 0.00 0.22 0.39 14 D C C 89.42 3.81 12.87 18.01 112.37 -47.86 -86.33 127.97 95.67 0.28 4.05 81.00 12.61 1.77 3.67 0.61 0.00 0.09 0.25 15 P H H 80.44 6.11 10.50 18.28 97.36 -133.14 -63.79 -27.17 48.94 0.29 50.76 35.29 4.63 8.85 45.79 5.15 0.00 0.14 0.15 16 K H H 134.79 2.39 12.55 15.75 97.34 61.38 -69.98 -31.14 28.05 0.30 71.65 17.37 4.24 7.30 64.85 5.95 0.00 0.15 0.13 17 E H H 107.52 3.31 11.92 16.39 96.55 55.49 -69.57 -36.45 16.09 0.27 83.64 11.11 2.52 3.60 76.09 6.44 0.00 0.15 0.08 18 E H H 96.89 4.68 11.23 17.45 95.68 54.53 -68.87 -36.88 11.96 0.21 87.82 8.42 1.86 2.85 81.67 5.02 0.00 0.13 0.06 19 E H H 107.93 3.23 11.97 16.34 95.05 54.46 -68.19 -37.38 10.90 0.19 88.91 7.15 1.76 3.00 83.63 4.30 0.00 0.11 0.05 20 E H H 112.82 2.62 12.05 15.49 95.08 52.85 -68.23 -36.96 11.73 0.18 88.09 7.03 1.93 3.64 82.99 4.24 0.00 0.10 0.06 21 E H H 110.47 3.47 11.27 16.09 95.48 53.34 -69.38 -34.99 14.11 0.19 85.70 7.93 2.27 4.67 80.15 4.81 0.01 0.10 0.07 22 E H H 115.83 3.73 11.07 16.25 95.76 55.31 -72.10 -30.84 18.73 0.23 81.04 10.03 2.87 6.52 74.27 6.08 0.01 0.12 0.10 23 E H H 125.91 2.95 11.10 15.41 97.69 60.83 -76.44 -20.44 26.91 0.36 72.73 13.40 4.66 9.80 64.56 7.21 0.02 0.17 0.18 24 E H H 129.88 2.78 11.39 15.44 104.17 67.16 -81.35 14.39 44.71 0.57 54.73 23.14 7.37 15.07 47.05 6.79 0.02 0.24 0.32 25 L C C 104.82 5.11 10.68 17.32 108.64 81.94 -83.29 106.40 67.93 0.79 31.29 43.22 8.36 16.09 26.16 5.33 0.00 0.32 0.52 26 V C C 79.69 6.75 11.50 19.96 116.98 123.40 -99.75 132.06 85.39 1.19 13.42 59.71 19.35 5.14 13.03 1.42 0.00 0.33 1.02 27 D C C 74.19 6.37 14.15 22.08 107.71 -118.75 -84.98 112.45 96.26 0.21 3.53 90.27 4.49 1.00 3.83 0.22 0.00 0.06 0.13 28 P H H 61.71 9.01 14.52 25.23 93.69 -159.83 -64.54 -32.00 32.50 0.14 67.36 21.47 2.59 6.33 68.54 0.95 0.00 0.05 0.07 29 L H H 62.14 11.85 15.21 27.44 92.75 56.20 -65.75 -39.76 6.89 0.04 93.07 3.10 0.88 2.60 92.71 0.68 0.00 0.01 0.02 30 T H H 68.16 3.84 18.49 22.61 92.47 49.87 -65.59 -40.95 2.09 0.02 97.89 1.05 0.27 0.77 97.39 0.50 0.00 0.01 0.00 31 T H H 56.26 4.68 18.57 24.09 92.14 50.43 -65.00 -42.05 0.98 0.01 99.01 0.45 0.12 0.39 98.75 0.29 0.00 0.00 0.00 32 V H H 26.95 13.98 16.14 31.04 92.19 49.40 -64.56 -42.61 0.47 0.00 99.52 0.17 0.05 0.21 99.45 0.12 0.00 0.00 0.00 33 R H H 88.64 11.56 17.66 29.53 91.54 51.52 -63.05 -41.88 0.29 0.00 99.71 0.09 0.03 0.14 99.67 0.08 0.00 0.00 0.00 34 E H H 103.40 2.28 21.62 22.65 91.65 50.23 -63.97 -41.97 0.32 0.00 99.68 0.07 0.03 0.19 99.60 0.11 0.00 0.00 0.00 35 Q H H 81.02 5.37 19.80 25.77 91.98 49.51 -64.94 -40.98 0.53 0.00 99.47 0.06 0.03 0.38 99.24 0.28 0.00 0.00 0.00 36 C H H 13.55 17.81 12.77 31.04 91.78 50.25 -66.00 -37.36 1.47 0.00 98.53 0.08 0.06 1.23 97.22 1.40 0.00 0.00 0.00 37 E H H 98.79 7.60 16.31 24.98 91.03 56.14 -68.91 -23.98 22.18 0.01 77.82 0.25 0.34 23.14 74.40 1.86 0.01 0.00 0.00 38 Q C T 135.05 1.46 17.89 18.43 93.60 56.74 -84.54 -8.89 68.41 0.02 31.58 0.76 1.37 66.82 29.37 1.66 0.00 0.00 0.02 39 L C S 47.92 12.65 8.73 22.18 115.37 97.63 -81.59 135.62 97.04 0.37 2.59 27.13 68.11 1.31 2.70 0.23 0.00 0.06 0.46 40 E H H 152.27 1.06 16.55 16.83 93.07 -133.51 -61.46 -36.07 20.71 0.03 79.26 0.82 2.01 17.77 70.67 8.65 0.04 0.01 0.03 41 K H H 110.79 6.00 16.55 23.60 92.35 53.54 -68.97 -31.53 19.72 0.02 80.27 0.43 0.93 18.92 72.32 7.35 0.03 0.01 0.01 42 C H H 12.88 18.76 11.82 30.57 97.33 45.40 -84.81 -23.37 11.98 0.02 88.00 0.73 0.65 10.35 79.95 8.28 0.02 0.01 0.01 43 V H H 66.51 5.26 18.66 25.02 91.80 64.75 -62.13 -42.10 1.05 0.00 98.95 0.27 0.09 0.48 98.81 0.35 0.00 0.00 0.00 44 K H H 113.37 2.43 22.51 23.83 91.65 50.04 -64.52 -40.96 0.73 0.00 99.26 0.11 0.04 0.46 99.18 0.21 0.00 0.00 0.00 45 A H H 13.94 15.41 16.76 33.21 91.74 50.51 -64.53 -41.63 0.24 0.00 99.76 0.03 0.01 0.14 99.75 0.08 0.00 0.00 0.00 46 R H H 87.97 12.61 19.19 31.58 91.72 52.06 -63.00 -41.82 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.02 0.00 0.00 0.00 47 E H H 105.54 2.17 23.35 23.94 91.51 50.14 -63.75 -41.91 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 48 R H H 94.75 8.32 20.92 29.71 91.86 49.67 -64.53 -41.67 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 49 L H H 20.06 18.42 16.23 34.80 91.88 50.42 -63.99 -41.78 0.08 0.00 99.92 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 50 E H H 97.04 3.89 22.76 26.48 91.38 50.95 -63.54 -41.49 0.18 0.00 99.82 0.01 0.01 0.14 99.82 0.03 0.00 0.00 0.00 51 L H H 79.43 3.14 21.95 24.49 91.56 50.00 -64.31 -42.00 0.43 0.00 99.57 0.03 0.02 0.32 99.53 0.10 0.00 0.00 0.00 52 C H H 14.33 15.46 15.72 32.28 91.83 50.36 -64.19 -41.77 0.72 0.00 99.28 0.08 0.03 0.48 99.20 0.20 0.00 0.00 0.00 53 D H H 59.12 9.99 18.12 28.73 91.76 51.83 -63.92 -40.32 1.58 0.00 98.42 0.21 0.11 1.06 98.20 0.40 0.00 0.00 0.00 54 E H H 119.84 1.52 21.06 20.57 92.12 49.93 -65.93 -39.70 4.43 0.01 95.56 0.44 0.32 3.41 94.83 0.97 0.01 0.00 0.00 55 R H H 100.27 6.44 16.93 24.43 93.53 48.83 -69.47 -36.94 9.68 0.05 90.27 1.35 0.97 7.12 89.24 1.26 0.01 0.02 0.02 56 V H H 35.82 14.24 11.54 26.07 96.22 51.65 -74.04 -29.51 23.90 0.48 75.61 7.77 4.44 12.62 72.82 1.83 0.06 0.18 0.29 57 S H H 72.86 3.35 14.78 18.94 97.29 59.12 -73.91 -24.86 49.48 1.00 49.53 19.62 8.97 21.31 46.85 2.29 0.04 0.37 0.55 58 S C T 74.93 2.77 11.95 15.82 102.65 61.22 -83.51 -5.21 69.13 0.85 30.02 21.22 16.98 31.06 26.42 3.47 0.02 0.31 0.52 59 R C C 156.00 3.69 10.14 15.41 102.25 69.86 -83.43 3.19 81.20 0.73 18.07 32.63 24.57 24.24 13.55 4.21 0.00 0.26 0.54 60 S C C 73.20 3.82 10.13 15.52 104.39 91.78 -83.61 35.93 85.43 0.66 13.92 41.60 20.01 24.00 7.76 5.86 0.00 0.26 0.50 61 Q C C 132.47 2.72 10.76 14.87 101.45 73.12 -81.90 -0.47 83.66 0.77 15.57 36.86 24.90 22.36 8.07 6.90 0.00 0.29 0.61 62 T C C 85.32 4.43 10.31 16.37 107.14 79.85 -91.17 42.23 81.96 0.98 17.06 38.89 24.17 19.41 9.48 6.93 0.00 0.39 0.73 63 E C C 129.69 3.65 12.80 17.88 104.61 121.57 -84.64 32.36 81.33 1.24 17.43 47.06 23.43 11.07 11.76 5.36 0.00 0.50 0.82 64 E C C 92.01 9.00 12.38 22.35 110.09 124.87 -85.96 124.37 80.94 1.88 17.18 61.07 13.47 5.82 14.34 3.44 0.00 0.81 1.06 65 D C C 72.69 6.61 17.73 25.09 113.32 -150.04 -89.70 129.30 79.40 3.06 17.54 70.12 4.74 3.77 16.45 2.00 0.00 1.26 1.67 66 C H H 34.51 16.20 13.71 29.66 95.58 -129.59 -68.67 -27.20 47.42 0.95 51.63 30.56 7.57 8.72 50.35 1.94 0.01 0.36 0.50 67 T H H 64.55 6.86 19.02 26.64 92.53 63.88 -64.56 -40.88 12.42 0.21 87.37 6.02 2.18 4.41 85.43 1.74 0.01 0.09 0.11 68 E H H 89.10 5.43 20.84 26.66 92.20 51.53 -65.32 -40.33 2.99 0.04 96.98 0.93 0.42 1.60 94.28 2.73 0.01 0.02 0.01 69 E H H 37.95 15.07 17.58 32.87 92.20 50.83 -65.11 -41.27 2.56 0.03 97.41 0.67 0.27 1.53 94.68 2.83 0.00 0.02 0.01 70 L H H 50.07 13.13 19.01 32.24 91.93 51.06 -64.00 -41.06 2.71 0.02 97.27 0.56 0.27 1.77 95.21 2.17 0.00 0.01 0.00 71 L H H 76.88 5.67 21.68 27.62 91.56 51.03 -64.08 -41.58 2.36 0.01 97.63 0.44 0.22 1.56 96.76 1.01 0.00 0.01 0.00 72 D H H 50.24 10.49 20.13 31.12 92.07 51.25 -65.16 -40.60 3.07 0.01 96.92 0.45 0.23 2.23 95.86 1.22 0.00 0.00 0.00 73 F H H 42.27 16.16 18.41 34.44 91.94 50.89 -64.26 -41.75 1.96 0.01 98.03 0.38 0.19 1.30 96.18 1.93 0.00 0.00 0.00 74 L H H 65.88 9.06 20.75 30.26 91.90 51.40 -64.77 -40.00 2.04 0.01 97.96 0.29 0.17 1.46 95.37 2.70 0.00 0.00 0.00 75 H H H 83.64 7.76 20.14 28.45 92.05 51.68 -67.34 -33.80 6.05 0.02 93.93 0.50 0.43 4.87 90.20 3.97 0.02 0.01 0.01 76 A H H 25.59 14.94 15.92 31.26 93.47 56.11 -69.34 -31.11 14.26 0.06 85.68 1.55 1.28 11.21 81.34 4.52 0.04 0.03 0.04 77 R H H 105.03 10.81 18.90 29.42 95.55 50.73 -77.56 -31.03 29.37 0.20 70.42 2.70 4.10 22.93 66.71 3.22 0.12 0.08 0.14 78 D C H 63.34 9.31 17.65 27.48 109.34 43.64 -107.55 84.27 66.37 0.73 32.90 30.55 12.87 22.23 30.79 2.80 0.01 0.22 0.53 79 H H H 101.63 10.08 16.78 27.33 94.77 -163.76 -66.01 -24.57 45.94 0.18 53.87 3.50 4.61 36.74 49.17 5.71 0.05 0.07 0.14 80 C H H 59.77 6.29 19.96 26.64 93.26 54.76 -67.31 -35.82 41.48 0.09 58.42 2.40 3.19 35.10 54.83 4.32 0.04 0.04 0.08 81 V H H 32.16 11.45 18.82 31.32 93.10 50.64 -66.27 -40.93 6.63 0.03 93.34 1.75 0.70 4.02 91.16 2.33 0.00 0.01 0.02 82 A H H 16.88 15.73 15.83 32.34 91.84 54.24 -62.34 -42.57 1.24 0.00 98.75 0.38 0.12 0.63 98.09 0.77 0.00 0.00 0.00 83 H H H 98.67 4.71 20.26 25.40 91.84 51.14 -64.11 -40.90 0.66 0.00 99.33 0.18 0.06 0.37 98.75 0.64 0.00 0.00 0.00 84 K H H 107.75 3.51 20.04 23.35 92.00 49.85 -65.05 -41.50 0.59 0.00 99.40 0.14 0.05 0.35 98.91 0.55 0.00 0.00 0.00 85 L H H 37.99 12.58 15.36 29.02 92.31 49.31 -64.94 -42.12 1.02 0.00 98.98 0.20 0.08 0.65 98.48 0.58 0.00 0.00 0.00 86 F H H 73.25 10.04 14.19 25.34 92.17 50.22 -64.70 -39.65 2.62 0.01 97.37 0.46 0.22 1.80 95.98 1.52 0.00 0.00 0.00 87 N H H 108.26 1.75 15.48 17.06 92.39 52.53 -66.79 -32.61 10.08 0.01 89.90 0.75 0.55 8.61 87.15 2.91 0.01 0.01 0.01 88 S H H 71.58 3.40 12.78 17.35 93.80 54.94 -74.50 -21.22 28.47 0.05 71.48 2.06 1.53 24.56 68.48 3.30 0.02 0.02 0.03 89 L C H 78.37 9.45 8.58 18.68 99.53 60.22 -85.25 -5.02 51.61 0.40 47.99 23.74 2.15 25.95 44.98 2.74 0.01 0.14 0.29 90 K C C 146.93 3.09 13.23 17.91 105.38 111.43 -74.60 90.31 99.92 0.04 0.03 99.80 0.08 0.07 0.02 0.00 0.00 0.02 0.01