# 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 116.74 4.59 10.35 16.75 114.98 -162.35 -97.62 127.91 99.90 0.08 0.02 99.80 0.10 0.04 0.01 0.00 0.00 0.04 0.01 1 H C C 136.47 2.71 8.92 13.46 112.66 -152.39 -93.24 124.99 87.79 1.40 10.81 83.88 1.00 4.22 7.63 1.89 0.00 0.72 0.66 2 H C C 134.61 2.79 7.78 12.40 110.92 -156.77 -93.37 123.55 74.71 1.50 23.80 54.91 8.48 11.18 17.72 6.18 0.00 0.77 0.74 3 H C C 139.22 2.52 8.39 12.37 102.94 -164.26 -83.98 2.70 59.04 1.27 39.69 40.00 8.74 10.75 29.56 9.66 0.01 0.64 0.63 4 H H H 132.65 2.78 9.20 13.50 101.37 85.43 -81.88 -7.94 43.69 1.14 55.17 29.29 7.22 8.30 42.50 11.60 0.01 0.59 0.49 5 H H H 131.72 2.60 9.87 13.90 100.04 68.85 -79.62 -13.21 38.08 1.04 60.87 24.04 6.54 8.79 48.67 10.97 0.01 0.56 0.42 6 H H H 130.52 2.76 10.18 14.38 99.83 62.03 -80.46 -10.53 38.40 1.23 60.37 23.95 6.32 9.59 49.43 9.52 0.02 0.67 0.49 7 M H H 113.18 4.07 9.89 15.58 103.14 61.03 -82.31 -1.55 41.67 1.51 56.82 26.90 7.42 9.23 47.95 7.07 0.02 0.77 0.63 8 A C H 71.46 3.73 10.61 15.94 102.88 55.79 -79.90 2.22 51.76 1.39 46.86 32.89 8.13 11.42 41.29 4.97 0.01 0.68 0.59 9 S C C 77.16 3.22 11.08 15.72 104.32 57.21 -86.77 29.99 63.56 1.09 35.35 34.45 11.02 17.95 31.08 4.44 0.01 0.47 0.56 10 N C C 106.95 3.78 10.91 16.22 103.74 106.88 -87.47 20.17 69.50 0.85 29.65 33.29 17.34 18.37 26.28 3.89 0.01 0.32 0.51 11 N C C 90.65 4.78 11.34 17.69 105.98 114.35 -85.79 51.25 63.55 0.87 35.58 36.22 15.26 11.44 32.98 3.30 0.01 0.32 0.46 12 T H H 88.79 3.60 12.47 17.37 96.02 88.51 -68.36 -33.57 34.52 0.60 64.88 19.43 7.28 8.93 60.59 3.23 0.02 0.26 0.26 13 A H H 65.33 2.56 14.53 17.55 94.26 55.76 -66.99 -38.81 26.54 0.47 72.99 14.67 4.90 7.69 69.69 2.63 0.01 0.22 0.18 14 S H H 49.93 5.11 14.46 20.99 93.92 51.26 -67.34 -39.03 19.98 0.43 79.59 13.42 3.21 4.38 76.68 1.95 0.01 0.20 0.15 15 I H H 67.77 7.21 14.21 22.91 92.61 51.42 -64.91 -41.58 5.74 0.10 94.16 3.51 0.93 1.65 92.95 0.88 0.00 0.05 0.03 16 A H H 53.29 2.80 17.33 20.33 91.77 51.14 -63.73 -41.39 2.84 0.05 97.11 1.52 0.37 1.03 96.43 0.60 0.00 0.02 0.01 17 Q H H 97.01 2.56 18.26 20.55 92.15 49.70 -65.31 -40.53 2.04 0.03 97.93 0.96 0.25 0.82 97.50 0.43 0.00 0.01 0.01 18 A H H 34.91 8.28 14.81 24.81 91.90 50.99 -64.18 -41.02 1.45 0.01 98.54 0.61 0.14 0.62 98.35 0.26 0.00 0.00 0.00 19 R H H 123.78 4.71 17.64 23.29 91.67 51.32 -63.86 -40.46 1.01 0.01 98.99 0.36 0.09 0.46 98.92 0.16 0.00 0.00 0.00 20 K H H 120.98 1.85 19.07 19.86 92.01 50.18 -64.91 -41.13 0.83 0.00 99.16 0.27 0.07 0.41 99.12 0.12 0.00 0.00 0.00 21 L H H 73.26 4.79 17.52 23.19 92.02 49.94 -64.80 -41.66 0.66 0.00 99.33 0.19 0.06 0.34 99.30 0.11 0.00 0.00 0.00 22 V H H 50.77 8.37 15.62 25.41 92.06 50.03 -64.22 -41.79 0.49 0.00 99.51 0.13 0.04 0.25 99.49 0.09 0.00 0.00 0.00 23 E H H 98.47 2.90 18.10 21.08 91.61 50.57 -63.91 -40.87 0.54 0.00 99.46 0.11 0.04 0.31 99.42 0.12 0.00 0.00 0.00 24 Q H H 97.64 2.18 17.65 19.32 91.91 50.17 -64.99 -40.83 0.96 0.00 99.04 0.15 0.06 0.61 98.94 0.23 0.00 0.00 0.00 25 L H H 63.33 6.71 14.28 22.56 92.05 50.81 -65.01 -40.66 1.47 0.01 98.52 0.27 0.11 0.91 98.23 0.47 0.00 0.00 0.00 26 K H H 105.25 5.12 14.87 21.17 91.87 52.02 -63.96 -39.88 3.27 0.02 96.72 0.60 0.27 2.13 96.03 0.97 0.00 0.01 0.00 27 M H H 119.79 1.55 15.56 16.47 92.54 50.45 -66.48 -38.43 7.10 0.04 92.86 1.12 0.65 5.01 91.57 1.60 0.01 0.02 0.02 28 E H H 115.39 2.78 13.60 17.00 94.73 49.81 -72.70 -30.05 15.98 0.13 83.89 2.84 1.86 11.04 82.25 1.86 0.03 0.05 0.07 29 A H H 53.70 6.94 10.43 18.86 97.24 62.79 -74.42 -18.93 47.49 0.40 52.11 7.77 5.64 33.45 50.02 2.68 0.05 0.15 0.24 30 N C T 123.74 1.72 13.76 15.95 98.76 -122.45 -43.70 28.34 72.21 0.46 27.34 18.26 7.51 45.60 25.09 3.09 0.00 0.20 0.25 31 I C C 89.58 6.20 9.55 17.51 110.27 130.90 -89.81 122.09 74.38 1.26 24.37 44.92 17.81 10.58 22.44 3.07 0.01 0.48 0.70 32 D C C 99.73 2.63 12.53 16.22 107.23 -133.89 -83.21 96.03 74.24 1.19 24.57 60.25 5.10 6.99 24.06 2.54 0.00 0.58 0.48 33 R H H 147.91 4.13 11.74 17.42 96.58 158.36 -70.44 -26.75 41.08 1.37 57.56 24.05 7.99 10.46 50.62 5.64 0.02 0.73 0.48 34 I H H 102.16 3.14 13.19 17.30 97.40 61.11 -73.04 -31.97 35.01 1.69 63.30 20.94 6.64 8.80 57.36 4.76 0.03 0.99 0.48 35 K H H 112.39 3.66 15.05 19.46 96.99 55.83 -71.01 -29.65 29.95 1.50 68.55 22.37 3.58 5.30 63.49 3.94 0.01 0.88 0.44 36 V H H 63.73 7.63 12.74 21.89 93.48 68.66 -65.32 -40.96 9.44 0.26 90.30 6.17 1.40 2.28 88.78 1.15 0.00 0.13 0.07 37 S H H 60.18 3.38 16.40 20.43 92.83 51.73 -65.02 -40.65 5.43 0.13 94.44 3.07 0.75 1.77 93.44 0.85 0.00 0.07 0.04 38 K H H 123.66 1.81 18.40 19.27 92.29 49.56 -65.75 -40.75 2.80 0.04 97.16 1.30 0.38 1.13 96.56 0.59 0.00 0.02 0.02 39 A H H 40.30 5.54 15.90 23.06 92.23 50.41 -64.61 -41.64 2.05 0.02 97.93 0.89 0.25 0.87 97.56 0.41 0.00 0.01 0.01 40 A H H 40.93 6.84 15.68 24.21 92.05 50.78 -63.87 -40.97 1.15 0.00 98.85 0.42 0.12 0.50 98.75 0.20 0.00 0.00 0.00 41 A H H 56.41 2.70 18.12 20.71 91.72 51.05 -63.89 -41.08 0.52 0.00 99.47 0.14 0.05 0.25 99.47 0.09 0.00 0.00 0.00 42 D H H 86.38 2.18 18.49 19.99 92.06 49.71 -65.31 -40.63 0.48 0.00 99.52 0.10 0.03 0.25 99.55 0.06 0.00 0.00 0.00 43 L H H 67.69 7.44 15.58 24.23 91.97 50.58 -64.32 -41.65 0.30 0.00 99.70 0.05 0.02 0.16 99.72 0.04 0.00 0.00 0.00 44 M H H 87.08 5.80 16.40 23.36 91.55 51.02 -63.22 -41.34 0.18 0.00 99.82 0.03 0.01 0.10 99.84 0.03 0.00 0.00 0.00 45 A H H 61.00 1.70 18.18 18.56 91.59 50.33 -63.73 -41.63 0.24 0.00 99.76 0.02 0.01 0.15 99.77 0.04 0.00 0.00 0.00 46 Y H H 114.14 3.14 16.92 20.41 92.14 49.24 -65.02 -41.50 0.40 0.00 99.60 0.04 0.02 0.28 99.58 0.08 0.00 0.00 0.00 47 C H H 36.90 10.38 12.21 23.99 91.90 50.29 -64.56 -40.97 0.53 0.00 99.47 0.05 0.03 0.37 99.42 0.13 0.00 0.00 0.00 48 E H H 118.28 2.91 15.79 19.45 91.66 51.49 -64.63 -38.65 1.29 0.00 98.71 0.07 0.06 1.05 98.43 0.40 0.00 0.00 0.00 49 A H H 76.09 1.20 16.60 16.21 92.48 51.03 -68.58 -33.55 7.10 0.00 92.90 0.12 0.20 7.07 91.90 0.70 0.01 0.00 0.00 50 H H H 92.01 5.40 13.18 20.22 100.06 36.52 -105.51 -3.77 27.38 0.03 72.59 0.84 1.15 25.40 70.95 1.60 0.02 0.01 0.03 51 A H G 36.00 12.15 9.03 21.96 92.52 101.00 -61.10 -35.44 22.55 0.12 77.34 2.43 1.58 17.48 11.62 66.77 0.00 0.07 0.05 52 K H G 158.12 1.35 14.42 15.89 91.30 59.41 -70.28 -23.83 26.61 0.07 73.32 0.81 1.21 23.68 5.02 69.21 0.00 0.04 0.03 53 E H G 147.80 1.09 14.69 14.87 97.17 45.52 -97.11 -4.70 26.32 0.11 73.57 1.56 2.62 20.02 2.72 72.98 0.00 0.06 0.04 54 D C C 47.04 10.71 7.88 19.67 111.70 93.48 -92.75 113.77 99.58 0.30 0.11 73.94 25.35 0.20 0.05 0.04 0.00 0.06 0.35 55 P C T 93.30 3.39 12.79 17.98 92.26 -152.60 -64.42 -23.35 74.31 0.13 25.55 1.51 3.28 67.70 1.14 26.24 0.00 0.06 0.07 56 L C T 103.28 4.88 12.23 18.66 92.76 65.26 -75.79 -14.28 74.68 0.28 25.03 1.15 3.53 69.14 1.27 24.62 0.00 0.15 0.13 57 L C T 83.92 7.87 11.13 20.10 98.22 58.56 -87.10 -11.97 63.35 3.59 33.06 13.26 18.78 31.30 2.24 30.55 0.03 1.67 2.17 58 T C S 81.64 4.05 12.58 18.22 119.69 67.51 -107.40 134.01 91.50 3.43 5.07 24.41 39.45 27.65 1.04 3.94 0.01 1.57 1.93 59 P C S 101.08 3.03 13.16 17.56 110.39 -105.77 -70.16 136.52 98.14 0.83 1.02 37.12 37.58 23.22 0.14 1.10 0.00 0.40 0.45 60 V C C 58.31 10.03 8.06 19.13 118.07 -146.92 -98.27 134.88 97.87 1.74 0.39 57.06 40.21 0.65 0.18 0.18 0.00 0.53 1.19 61 P C C 77.70 2.19 14.60 16.93 112.25 -106.10 -65.69 142.16 97.84 1.50 0.67 95.58 1.73 0.59 0.25 0.28 0.00 0.52 1.05 62 A H G 71.32 7.03 8.39 16.92 92.73 -125.35 -61.07 -30.96 48.56 0.55 50.88 5.92 6.37 32.65 1.41 53.13 0.00 0.29 0.24 63 S H G 97.10 0.70 12.35 12.20 92.21 61.52 -73.10 -18.08 49.09 0.20 50.71 1.91 4.04 38.88 1.12 53.86 0.00 0.11 0.08 64 E H G 130.15 2.16 11.88 14.84 99.37 50.08 -92.45 -8.59 44.36 0.51 55.12 4.64 7.73 28.72 1.36 57.08 0.00 0.25 0.21 65 N C C 48.57 9.80 7.93 19.05 112.27 61.78 -112.80 106.29 99.07 0.60 0.33 73.20 25.21 0.52 0.17 0.14 0.00 0.15 0.61 66 P C T 86.56 3.68 12.46 17.97 92.95 -160.01 -66.22 -21.36 74.89 0.24 24.87 5.89 6.72 62.06 8.89 16.09 0.00 0.11 0.24 67 F C T 113.61 6.08 10.98 18.65 94.21 63.11 -83.00 -4.53 70.56 0.51 28.93 5.49 6.79 57.36 12.40 17.21 0.03 0.26 0.46 68 R C C 136.12 5.33 10.88 17.91 98.21 88.11 -71.50 -15.76 55.50 1.68 42.82 27.88 12.62 15.12 18.38 24.23 0.02 0.77 0.98 69 E C C 136.51 2.30 12.52 15.48 101.44 64.06 -84.47 1.91 60.20 1.69 38.11 38.95 9.49 11.37 21.33 17.17 0.01 0.83 0.86 70 K C C 121.50 5.38 9.96 17.15 110.53 87.78 -85.36 122.94 61.34 1.88 36.78 39.86 10.71 10.66 21.90 15.04 0.02 0.91 0.91 71 K C C 136.79 3.63 11.69 16.95 113.29 -154.69 -91.90 128.64 66.53 2.31 31.16 45.89 10.25 10.28 19.45 11.90 0.01 1.24 0.99 72 F C C 128.39 5.51 10.19 17.39 113.28 -131.23 -92.11 128.67 69.57 3.64 26.79 49.44 10.23 9.68 16.29 10.87 0.01 2.11 1.38 73 F C C 134.34 4.36 10.70 16.69 109.90 -163.41 -98.79 106.34 67.80 5.86 26.33 42.81 12.44 12.28 15.88 10.98 0.03 3.71 1.87 74 S C C 69.34 5.09 9.83 16.57 112.81 48.21 -102.38 116.80 63.47 10.54 25.99 38.55 12.53 12.59 14.78 11.45 0.06 7.74 2.29 75 A C C 75.11 3.81 10.01 15.57 115.07 -153.22 -97.83 131.41 54.31 21.04 24.65 35.32 9.61 9.84 14.51 10.15 0.13 17.57 2.87 76 I C C 117.59 3.89 9.91 15.57 112.70 -152.55 -93.56 121.88 58.23 22.98 18.79 47.81 2.50 7.57 13.00 5.43 0.05 18.83 4.82 77 L C C 101.75 6.21 11.62 19.25 112.05 -163.14 -95.53 119.48 98.82 1.09 0.08 98.72 0.14 0.10 0.05 0.01 0.00 0.93 0.05