# 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 115.54 5.30 10.29 17.23 115.04 -148.49 -93.61 139.60 99.78 0.18 0.04 99.56 0.20 0.09 0.02 0.00 0.00 0.08 0.04 1 A C C 82.22 2.70 8.87 13.36 112.29 -120.25 -79.60 141.08 96.10 2.53 1.36 90.26 2.57 3.43 0.58 0.51 0.00 1.15 1.49 2 K C C 154.34 1.70 9.12 12.30 115.51 -107.66 -90.26 135.90 94.87 3.21 1.92 63.18 27.65 4.08 0.73 1.07 0.00 1.44 1.84 3 P C C 100.52 3.25 8.33 13.50 111.12 -107.16 -69.70 144.59 90.55 2.77 6.68 54.37 17.56 18.73 1.67 4.88 0.00 1.45 1.32 4 L C C 122.17 2.87 8.17 12.78 106.37 -122.66 -86.15 68.08 87.01 4.20 8.79 45.80 20.88 20.60 2.41 6.00 0.01 1.81 2.51 5 G C C 49.94 2.68 10.36 14.42 114.84 -104.14 86.77 -167.37 83.56 2.94 13.51 43.44 20.39 19.94 3.01 10.25 0.00 1.38 1.58 6 T C C 107.79 2.17 9.68 13.20 101.77 -49.93 -81.02 -0.68 79.38 2.87 17.75 31.26 19.44 29.80 3.86 12.79 0.01 1.33 1.51 7 T C T 95.70 2.98 9.73 14.23 105.22 69.54 -90.95 12.54 79.25 3.76 16.99 27.61 20.26 32.67 4.58 11.06 0.03 1.77 2.03 8 G C C 43.86 4.45 11.00 16.94 108.71 -111.35 -42.46 4.35 83.18 3.19 13.63 35.53 27.99 20.57 5.18 7.37 0.01 1.31 2.02 9 E C C 98.33 4.36 11.06 17.06 110.05 85.92 -87.54 113.98 82.86 1.48 15.66 61.94 15.57 4.67 13.93 2.33 0.00 0.52 1.03 10 F H H 123.73 4.10 11.17 17.02 93.64 -152.06 -64.81 -33.18 40.02 0.50 59.47 10.27 5.41 24.97 52.44 6.28 0.09 0.25 0.29 11 F H H 124.92 2.74 12.56 16.22 93.44 56.33 -67.57 -34.56 26.86 0.34 72.80 6.03 3.24 18.20 65.09 6.99 0.09 0.18 0.19 12 R H H 123.60 3.08 13.55 17.57 92.65 53.50 -65.87 -39.39 9.52 0.18 90.30 3.74 1.59 4.61 81.33 8.54 0.02 0.11 0.07 13 R H H 116.71 4.29 13.41 19.02 92.86 51.12 -65.94 -39.82 7.67 0.18 92.16 2.82 1.21 4.00 83.86 7.92 0.02 0.12 0.06 14 R H H 115.79 4.09 13.85 19.14 92.69 51.13 -67.50 -38.01 7.06 0.14 92.81 2.33 1.10 3.83 84.88 7.71 0.02 0.09 0.04 15 D H H 72.31 3.34 14.11 18.46 92.70 53.99 -65.44 -38.76 7.77 0.15 92.08 2.29 1.12 4.38 81.73 10.32 0.03 0.09 0.05 16 E H H 94.35 3.46 13.70 18.35 92.58 53.97 -65.33 -37.77 11.59 0.13 88.28 1.86 1.25 7.89 75.03 13.78 0.05 0.08 0.06 17 W H H 129.95 4.87 12.10 18.56 93.35 52.24 -72.33 -27.83 21.23 0.34 78.43 4.09 2.74 13.83 64.14 14.73 0.11 0.18 0.18 18 R C H 136.90 4.18 11.87 17.54 94.97 62.17 -75.22 -18.13 52.65 1.60 45.74 16.88 8.66 28.39 34.90 9.35 0.15 0.70 0.96 19 K C C 142.11 2.30 11.82 15.06 99.51 60.82 -89.21 0.55 73.81 2.01 24.18 32.07 13.83 29.01 16.25 6.71 0.02 0.83 1.26 20 H C C 101.09 5.18 8.74 15.89 115.67 105.50 -92.88 132.95 90.03 1.05 8.92 57.85 28.23 3.84 7.29 1.63 0.00 0.31 0.84 21 P C C 93.04 2.56 11.17 14.96 102.74 -116.30 -65.14 -7.94 60.83 0.77 38.41 32.17 8.86 20.54 26.33 11.24 0.01 0.38 0.46 22 M C H 125.97 2.61 10.29 14.19 98.08 52.25 -71.77 -22.28 50.77 1.26 47.96 23.77 8.60 19.57 32.94 13.76 0.05 0.63 0.68 23 L H H 99.67 3.60 9.87 14.87 99.85 62.78 -74.85 -24.88 43.87 1.82 54.30 23.33 8.81 12.88 38.16 15.01 0.06 0.93 0.83 24 S H H 60.28 3.99 10.87 16.39 99.33 58.89 -77.84 -27.77 49.23 1.10 49.67 31.89 7.48 10.77 40.65 8.14 0.02 0.54 0.51 25 N H H 91.89 3.59 11.70 16.58 96.65 60.56 -71.61 -31.83 42.48 0.78 56.74 25.54 8.43 10.36 48.71 6.23 0.02 0.34 0.38 26 Q H H 115.44 1.91 12.08 14.50 94.01 64.84 -67.21 -36.28 28.58 0.55 70.87 16.54 4.95 8.90 61.70 7.36 0.02 0.29 0.24 27 M H H 105.69 2.72 11.73 15.51 93.14 53.70 -67.53 -36.46 16.72 0.39 82.88 7.70 2.65 7.04 70.20 12.00 0.03 0.24 0.14 28 R H H 124.60 4.77 10.71 17.18 93.14 54.97 -66.90 -36.02 12.91 0.27 86.82 3.47 1.89 7.27 70.68 16.38 0.06 0.17 0.09 29 H H H 134.55 2.04 12.34 15.10 94.01 52.80 -71.63 -29.54 20.02 0.20 79.78 2.43 2.17 14.29 65.92 14.84 0.13 0.11 0.11 30 A H H 79.39 1.64 12.30 14.16 95.56 52.78 -75.07 -27.76 34.00 0.26 65.74 2.79 4.84 26.12 56.69 9.00 0.23 0.11 0.22 31 L C S 88.87 4.37 10.40 16.48 110.00 35.19 -121.17 80.24 93.32 1.27 5.41 34.12 55.36 3.47 4.68 0.87 0.00 0.29 1.20 32 P C T 84.22 3.99 12.06 17.77 109.83 -158.06 -65.39 136.16 83.60 0.46 15.94 9.95 5.44 68.11 12.05 3.90 0.01 0.22 0.32 33 G C T 44.90 4.32 14.28 19.75 98.03 22.74 80.80 -4.02 75.37 0.24 24.39 7.54 4.70 62.25 21.10 4.13 0.01 0.10 0.17 34 L H H 85.11 5.66 12.72 19.95 94.08 100.48 -67.73 -35.19 14.80 0.10 85.10 6.01 2.60 6.83 81.13 3.32 0.01 0.04 0.06 35 G H H 39.56 3.45 15.27 19.53 93.39 53.64 -63.86 -41.82 6.40 0.04 93.56 1.97 0.93 3.58 92.14 1.33 0.01 0.02 0.02 36 I H H 99.97 2.31 16.99 19.00 92.54 48.48 -65.96 -40.84 1.60 0.02 98.38 0.45 0.18 0.90 97.87 0.59 0.00 0.01 0.00 37 G H H 27.63 5.81 14.79 22.19 92.18 51.58 -63.96 -42.03 0.52 0.00 99.48 0.13 0.05 0.27 99.38 0.16 0.00 0.00 0.00 38 V H H 75.52 4.42 16.77 21.81 92.13 49.70 -64.72 -42.15 0.13 0.00 99.87 0.02 0.01 0.07 99.87 0.03 0.00 0.00 0.00 39 A H H 59.26 2.30 17.75 19.63 91.66 50.12 -64.14 -42.04 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 40 A H H 54.83 2.95 17.16 20.33 91.63 50.08 -64.39 -41.88 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 41 F H H 98.36 5.30 16.58 22.55 91.90 49.64 -64.61 -41.35 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 42 C H H 65.89 3.63 16.86 20.92 91.72 51.00 -63.65 -41.99 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 43 V H H 87.57 1.86 18.14 18.96 91.79 49.53 -64.30 -42.13 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 44 Y H H 116.38 3.60 16.95 21.01 92.13 49.40 -64.95 -41.92 0.10 0.00 99.90 0.00 0.00 0.08 99.90 0.01 0.00 0.00 0.00 45 L H H 74.98 5.39 15.83 22.02 91.96 48.94 -64.53 -41.98 0.23 0.00 99.77 0.01 0.01 0.18 99.77 0.03 0.00 0.00 0.00 46 V H H 82.26 2.20 17.10 18.83 91.66 49.49 -63.91 -42.10 0.45 0.00 99.55 0.03 0.02 0.35 99.54 0.06 0.00 0.00 0.00 47 G H H 36.89 2.07 16.55 18.21 91.61 50.05 -63.89 -41.79 0.62 0.00 99.38 0.06 0.03 0.46 99.35 0.10 0.00 0.00 0.00 48 E H H 88.17 4.14 15.15 20.27 92.21 49.64 -65.31 -40.56 0.71 0.00 99.29 0.06 0.04 0.53 99.22 0.14 0.00 0.00 0.00 49 Q H H 91.35 3.65 14.65 19.15 92.05 50.88 -64.74 -40.95 1.21 0.00 98.79 0.10 0.07 0.93 98.65 0.24 0.00 0.00 0.00 50 I H H 101.76 1.47 15.18 15.87 91.99 49.34 -64.52 -41.58 2.16 0.01 97.83 0.23 0.16 1.61 97.53 0.45 0.00 0.00 0.00 51 Y H H 132.83 1.83 14.21 15.95 92.49 47.74 -66.68 -40.05 4.05 0.03 95.92 0.59 0.41 2.92 95.17 0.88 0.01 0.01 0.01 52 N H H 82.11 3.90 12.06 17.46 92.84 51.04 -67.09 -37.31 7.96 0.05 91.99 1.41 0.91 5.55 90.10 1.96 0.02 0.03 0.02 53 K H H 133.32 2.20 12.33 15.44 92.44 52.91 -66.45 -34.96 12.58 0.08 87.35 1.70 1.39 9.43 83.59 3.77 0.04 0.04 0.04 54 A H H 82.00 1.39 12.22 13.68 93.73 55.56 -72.41 -23.15 23.76 0.16 76.08 3.21 2.97 17.83 72.29 3.46 0.07 0.07 0.10 55 L H H 115.93 2.35 11.14 14.38 100.52 46.33 -96.49 -3.56 46.83 0.85 52.32 12.46 12.07 24.92 46.27 3.28 0.12 0.29 0.59 56 A C C 56.79 5.88 8.19 15.96 114.80 111.86 -78.05 142.40 89.69 0.75 9.56 51.73 32.87 5.11 6.96 2.49 0.00 0.23 0.60 57 P C C 100.22 2.46 10.41 14.30 110.31 -106.95 -69.40 146.89 85.33 0.80 13.87 64.63 9.71 10.91 7.25 6.56 0.00 0.38 0.55 58 S C C 85.36 2.59 9.16 13.26 109.33 -114.11 -82.04 121.97 82.02 1.41 16.57 56.78 12.55 12.24 7.80 9.01 0.00 0.65 0.98 59 K C C 154.72 1.90 9.73 12.90 107.68 -144.55 -89.25 77.56 77.63 1.62 20.75 47.18 16.42 13.86 10.23 10.51 0.00 0.73 1.09 60 S C C 77.19 3.27 9.06 14.05 112.81 137.65 -93.34 131.06 78.03 1.59 20.37 47.27 15.36 15.29 9.96 10.39 0.00 0.75 0.98 61 S C C 71.82 4.12 9.39 15.19 109.16 -163.49 -93.15 97.19 76.47 1.62 21.91 48.96 14.25 13.17 12.47 9.37 0.00 0.75 1.02 62 H C C 126.16 3.41 9.89 14.75 104.00 132.61 -82.52 1.11 65.23 1.61 33.16 38.96 13.85 13.06 21.93 10.51 0.01 0.71 0.97 63 H C H 122.75 3.23 10.08 14.68 100.67 78.12 -80.18 -7.30 53.52 1.42 45.06 30.55 10.47 13.33 31.33 12.87 0.02 0.68 0.75 64 H H H 120.43 3.42 9.59 14.41 99.46 66.81 -77.92 -16.86 44.13 1.54 54.33 24.94 8.59 11.63 39.24 14.10 0.04 0.77 0.70 65 Q H H 118.57 2.76 9.96 14.00 99.24 68.51 -76.78 -23.57 39.15 1.67 59.17 22.47 8.15 9.93 44.58 13.30 0.04 0.86 0.68 66 E H H 132.94 2.24 10.06 13.44 100.14 63.73 -79.34 -14.86 40.72 1.78 57.50 23.64 8.61 10.15 44.98 10.94 0.04 0.91 0.72 67 Q C H 125.13 2.52 9.65 13.54 104.26 69.34 -86.26 35.53 51.09 1.71 47.19 29.79 10.40 12.42 37.47 8.28 0.04 0.81 0.80 68 T C C 92.51 3.15 8.88 13.65 107.84 85.83 -90.72 85.46 64.28 1.74 33.98 39.04 12.39 13.33 27.09 6.40 0.01 0.74 1.00 69 A C C 72.93 3.37 8.10 13.20 111.22 76.45 -84.99 134.93 74.10 1.54 24.36 42.58 20.93 11.20 16.45 7.27 0.01 0.65 0.91 70 P C C 111.76 1.79 8.46 11.56 105.91 -111.50 -76.71 94.18 77.42 1.43 21.15 47.51 12.13 17.97 11.60 9.29 0.00 0.75 0.76 71 S C C 87.74 1.94 7.62 11.08 106.65 83.55 -89.61 65.34 82.51 1.62 15.86 66.39 3.64 14.03 7.72 6.43 0.00 0.95 0.84 72 H C C 139.28 3.20 9.19 14.02 105.98 85.42 -88.79 51.22 99.61 0.17 0.23 99.03 0.36 0.35 0.09 0.04 0.00 0.08 0.04