# 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 S C C 88.30 2.02 11.88 15.14 115.86 -156.51 -100.98 134.73 99.86 0.13 0.01 99.83 0.07 0.02 0.00 0.00 0.00 0.07 0.01 1 V C C 102.27 4.85 7.52 14.35 117.53 -157.25 -105.86 129.99 85.05 13.47 1.48 83.36 0.89 1.26 0.60 0.50 0.00 10.67 2.72 2 A C C 87.29 1.58 9.71 12.66 116.92 -149.49 -98.03 134.31 81.32 17.06 1.63 68.91 8.18 3.28 0.57 1.07 0.00 14.86 3.13 3 L C C 119.56 4.22 7.55 13.88 116.42 -152.89 -98.98 128.25 83.35 15.60 1.05 64.02 16.77 2.30 0.40 0.73 0.00 12.19 3.60 4 V C C 101.38 3.15 9.50 14.61 118.95 -157.24 -103.06 133.66 91.64 8.08 0.28 75.84 15.36 0.67 0.11 0.18 0.00 6.68 1.16 5 P C C 106.54 2.19 11.32 15.04 113.54 -108.60 -67.59 143.77 94.59 4.44 0.97 86.14 6.71 1.88 0.30 0.59 0.00 3.52 0.88 6 H C C 120.46 6.51 7.59 15.65 113.35 -132.90 -90.84 127.17 87.81 9.79 2.40 78.97 5.90 2.33 1.02 1.29 0.00 4.87 5.62 7 V C C 114.03 2.34 9.79 13.55 111.19 -153.63 -89.33 122.54 84.41 6.80 8.79 46.45 14.30 24.27 2.24 6.22 0.01 4.09 2.43 8 G C C 56.07 2.52 10.15 13.95 106.31 13.64 67.84 15.92 85.71 3.45 10.84 35.94 18.43 32.12 2.34 7.91 0.00 1.89 1.37 9 M C C 126.39 3.75 9.00 14.52 107.38 90.28 -91.31 60.02 81.74 3.52 14.75 33.58 20.17 28.85 3.32 10.69 0.01 1.80 1.58 10 G C C 54.38 2.82 11.43 15.42 104.42 -31.50 77.52 5.24 82.94 4.57 12.49 36.58 20.25 27.12 3.20 8.58 0.01 2.49 1.76 11 L C C 98.38 5.63 8.90 16.28 111.23 97.17 -90.25 114.84 77.30 9.36 13.35 54.97 13.10 9.13 5.59 7.77 0.01 5.83 3.60 12 E C C 129.31 3.46 10.99 16.18 113.54 -155.30 -95.27 126.29 77.09 11.06 11.86 51.98 15.47 9.61 6.41 5.50 0.02 7.14 3.87 13 T C C 82.92 4.82 9.62 16.15 117.91 -163.79 -102.33 141.91 80.21 7.90 11.88 49.94 18.88 11.82 6.26 5.45 0.01 4.78 2.86 14 R C C 162.85 3.27 10.12 15.04 102.27 -127.05 -77.76 -2.31 82.36 3.12 14.52 32.91 23.72 27.02 6.40 7.01 0.01 1.71 1.22 15 T C C 98.11 2.82 10.61 14.74 102.88 75.38 -89.41 -0.18 82.70 2.63 14.67 31.25 24.88 27.78 6.13 7.39 0.01 1.35 1.20 16 E C C 117.10 4.86 10.23 16.76 109.75 102.22 -90.57 113.17 79.52 4.59 15.89 44.11 23.96 12.26 6.95 8.29 0.01 2.53 1.89 17 T C C 92.48 3.89 11.86 17.20 106.35 64.49 -90.19 20.13 75.87 8.74 15.39 48.49 16.25 11.75 6.52 8.51 0.02 5.81 2.66 18 W C C 145.81 6.11 11.76 19.26 107.65 72.40 -90.45 76.11 71.25 15.29 13.46 42.07 17.23 12.66 6.20 7.04 0.08 9.87 4.86 19 M C C 87.64 9.52 11.24 21.71 111.18 66.46 -89.52 120.86 75.48 14.72 9.80 52.97 15.16 7.12 5.84 4.30 0.04 9.50 5.08 20 S C C 55.63 4.48 14.98 20.48 121.75 -141.38 -96.81 163.76 84.92 7.75 7.33 66.47 13.80 4.15 6.04 1.98 0.00 4.54 3.01 21 S H H 72.58 5.19 13.21 19.87 95.92 -98.26 -65.15 -36.02 41.31 0.75 57.94 8.94 15.26 18.83 52.10 4.02 0.14 0.30 0.39 22 E H H 134.04 1.71 16.13 17.52 95.04 50.15 -68.83 -36.47 32.05 0.31 67.63 4.67 6.48 21.52 63.29 3.60 0.13 0.13 0.19 23 G H H 22.19 6.67 14.64 23.30 94.33 50.94 -66.72 -38.86 25.77 0.53 73.71 10.67 5.03 11.69 68.64 3.43 0.04 0.24 0.25 24 A H H 24.96 13.88 12.91 27.47 92.80 55.10 -63.28 -41.75 5.43 0.09 94.48 2.77 0.84 2.05 93.27 0.98 0.01 0.04 0.03 25 W H H 135.51 5.44 18.08 24.34 92.26 51.25 -65.19 -40.12 1.65 0.04 98.31 0.67 0.23 0.78 97.83 0.46 0.00 0.02 0.01 26 K H H 116.91 2.20 21.04 22.13 92.16 50.23 -65.22 -41.35 0.83 0.02 99.15 0.29 0.10 0.41 98.92 0.27 0.00 0.01 0.00 27 H H H 53.86 11.42 17.91 30.18 92.33 49.41 -65.16 -41.56 0.61 0.01 99.38 0.16 0.06 0.33 99.29 0.15 0.00 0.00 0.00 28 A H H 21.62 15.16 16.53 32.13 91.96 50.98 -63.73 -41.61 0.29 0.00 99.71 0.06 0.02 0.15 99.70 0.07 0.00 0.00 0.00 29 Q H H 96.21 3.45 21.44 24.61 91.75 50.99 -64.04 -40.71 0.26 0.00 99.74 0.04 0.01 0.15 99.73 0.06 0.00 0.00 0.00 30 R H H 117.03 3.90 21.34 25.21 91.85 49.99 -65.00 -41.09 0.33 0.00 99.67 0.04 0.02 0.20 99.68 0.06 0.00 0.00 0.00 31 I H H 26.40 16.36 16.90 33.53 92.01 49.61 -64.76 -42.39 0.32 0.00 99.68 0.04 0.02 0.18 99.70 0.05 0.00 0.00 0.00 32 E H H 66.86 11.35 18.20 30.03 91.66 51.54 -63.23 -41.20 0.73 0.00 99.26 0.10 0.04 0.44 99.33 0.09 0.00 0.00 0.00 33 T H H 73.05 2.18 20.97 21.83 91.63 49.93 -64.43 -41.51 1.82 0.00 98.18 0.15 0.10 1.42 98.10 0.23 0.00 0.00 0.00 34 W H H 86.25 7.43 17.51 26.27 92.49 49.52 -65.71 -41.29 1.82 0.01 98.18 0.13 0.11 1.47 97.44 0.83 0.00 0.00 0.00 35 I H H 28.84 16.45 12.44 29.14 92.17 49.81 -65.62 -39.17 2.66 0.01 97.34 0.17 0.16 2.20 94.99 2.46 0.01 0.00 0.00 36 L H H 102.12 4.53 15.94 21.40 92.28 50.31 -68.69 -32.77 8.65 0.01 91.34 0.22 0.34 8.35 89.17 1.90 0.01 0.00 0.00 37 R H H 168.87 1.32 16.66 17.10 94.51 45.61 -78.19 -27.25 18.40 0.02 81.58 0.49 1.47 16.56 80.41 1.01 0.03 0.00 0.02 38 H C C 78.54 7.84 12.36 21.80 111.35 31.27 -129.74 81.22 99.49 0.12 0.38 78.35 20.65 0.43 0.35 0.05 0.00 0.03 0.13 39 P H H 78.35 7.94 13.65 23.32 93.89 175.79 -61.90 -33.23 33.88 0.06 66.06 2.42 1.50 28.80 58.05 9.14 0.01 0.03 0.04 40 G H H 40.89 4.14 18.83 23.57 91.91 56.11 -63.86 -33.05 25.51 0.04 74.45 1.28 1.21 22.67 67.34 7.42 0.03 0.02 0.03 41 F H H 62.94 11.72 18.30 30.60 92.25 55.01 -66.14 -37.39 6.09 0.06 93.85 1.78 0.67 3.40 87.67 6.41 0.01 0.04 0.02 42 T H H 20.41 18.78 16.56 35.14 91.14 53.21 -62.40 -42.84 1.46 0.02 98.52 0.60 0.17 0.66 97.46 1.09 0.00 0.01 0.00 43 I H H 85.81 6.58 23.68 30.34 91.72 50.03 -64.00 -42.17 0.34 0.00 99.66 0.08 0.03 0.18 99.37 0.34 0.00 0.00 0.00 44 M H H 87.90 5.13 24.99 30.29 91.49 49.33 -64.20 -42.20 0.16 0.00 99.84 0.03 0.01 0.09 99.76 0.11 0.00 0.00 0.00 45 A H H 11.74 18.70 20.04 38.81 91.10 50.43 -63.69 -42.52 0.12 0.00 99.88 0.01 0.00 0.07 99.86 0.05 0.00 0.00 0.00 46 A H H 22.18 16.80 20.80 37.23 91.26 51.78 -62.94 -42.43 0.13 0.00 99.87 0.01 0.00 0.08 99.87 0.04 0.00 0.00 0.00 47 I H H 84.18 4.95 25.57 30.39 91.41 49.82 -63.89 -42.61 0.21 0.00 99.79 0.01 0.01 0.15 99.77 0.06 0.00 0.00 0.00 48 L H H 53.56 10.01 23.25 33.67 91.57 49.54 -64.37 -42.25 0.32 0.00 99.68 0.02 0.01 0.23 99.60 0.13 0.00 0.00 0.00 49 A H H 9.20 20.24 16.84 37.19 91.28 51.87 -63.36 -41.38 0.55 0.00 99.45 0.04 0.03 0.42 98.96 0.56 0.00 0.00 0.00 50 Y H H 100.02 11.36 19.77 31.08 91.63 51.53 -65.77 -34.78 2.05 0.00 97.94 0.07 0.08 1.92 96.30 1.63 0.00 0.00 0.00 51 T H H 83.42 4.43 21.25 25.68 92.96 51.50 -72.69 -27.31 6.40 0.01 93.59 0.17 0.26 6.15 92.27 1.13 0.01 0.00 0.00 52 I H H 68.96 10.55 17.08 28.17 98.53 46.12 -89.68 -16.88 20.76 0.16 79.09 1.83 3.14 16.04 77.70 1.05 0.08 0.05 0.11 53 G C C 24.29 13.59 13.74 27.30 121.39 -87.24 70.03 149.69 95.98 1.19 2.82 75.22 9.57 10.93 2.44 0.56 0.00 0.53 0.74 54 T C C 86.30 5.85 16.38 23.45 103.99 -156.69 -103.72 -11.95 96.82 2.24 0.94 57.09 36.74 3.25 0.48 0.39 0.00 0.85 1.19 55 T C S 64.30 4.24 17.46 22.27 126.81 40.34 -117.41 156.78 96.69 2.04 1.27 46.19 49.18 1.51 0.93 0.28 0.00 0.53 1.38 56 H H H 118.01 7.31 13.77 22.51 92.70 -116.42 -61.49 -36.04 9.47 0.05 90.48 2.49 4.22 3.29 89.27 0.67 0.01 0.01 0.04 57 F H H 132.78 2.77 17.88 20.77 91.89 53.37 -63.87 -41.23 3.09 0.01 96.90 0.61 0.40 1.87 96.51 0.61 0.00 0.00 0.00 58 Q H H 57.51 10.60 16.76 28.28 92.19 48.48 -66.37 -40.29 1.19 0.01 98.80 0.37 0.12 0.62 98.38 0.50 0.00 0.00 0.00 59 R H H 55.57 15.93 16.03 31.79 91.82 52.28 -63.47 -41.96 0.21 0.00 99.78 0.05 0.02 0.10 99.73 0.09 0.00 0.00 0.00 60 A H H 46.06 6.49 20.47 27.71 91.80 50.80 -63.73 -41.67 0.07 0.00 99.93 0.01 0.00 0.03 99.93 0.02 0.00 0.00 0.00 61 L H H 74.80 5.73 21.97 27.86 92.00 49.93 -64.44 -42.40 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 62 I H H 29.78 16.46 18.90 35.45 91.93 49.34 -64.44 -43.19 0.02 0.00 99.98 0.00 0.00 0.01 99.98 0.00 0.00 0.00 0.00 63 F H H 60.13 14.10 19.63 33.51 92.09 50.03 -63.42 -42.19 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 64 I H H 85.22 4.83 21.92 26.83 91.66 50.12 -63.93 -42.55 0.04 0.00 99.96 0.00 0.00 0.03 99.95 0.02 0.00 0.00 0.00 65 L H H 62.67 8.85 19.95 29.32 92.03 49.39 -65.04 -41.71 0.08 0.00 99.92 0.00 0.00 0.06 99.86 0.07 0.00 0.00 0.00 66 L H H 33.72 16.46 16.39 32.89 92.11 49.86 -64.90 -40.98 0.29 0.00 99.71 0.01 0.01 0.23 99.42 0.33 0.00 0.00 0.00 67 T H H 59.81 9.59 17.12 27.41 91.59 52.21 -65.62 -35.16 2.75 0.00 97.25 0.08 0.09 2.58 95.92 1.32 0.00 0.00 0.00 68 A H H 71.81 3.81 17.14 21.32 92.00 55.32 -70.35 -24.59 21.01 0.03 78.97 0.54 0.75 19.88 77.09 1.70 0.01 0.01 0.02 69 V H H 77.03 8.10 14.34 23.31 98.11 46.89 -92.62 -10.86 43.92 0.43 55.65 3.66 4.30 34.88 54.76 1.87 0.09 0.15 0.29 70 A C C 35.69 14.60 9.40 23.88 116.84 95.96 -83.13 139.91 99.33 0.51 0.15 91.96 6.93 0.45 0.11 0.03 0.00 0.20 0.31 71 P C C 88.80 4.55 16.75 22.14 110.81 -104.29 -66.93 145.54 99.96 0.04 0.01 99.88 0.07 0.02 0.00 0.00 0.00 0.02 0.00