# 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 128.10 3.84 10.53 15.85 112.09 -156.32 -91.24 131.44 99.96 0.02 0.01 99.88 0.07 0.03 0.00 0.00 0.00 0.01 0.00 1 G C C 50.81 3.18 8.94 13.73 115.02 -121.32 -78.40 164.38 95.12 0.63 4.25 91.28 0.85 3.87 2.43 0.93 0.00 0.28 0.36 2 K C C 159.65 1.52 8.62 11.37 108.65 -98.19 -82.32 123.12 87.37 1.97 10.66 65.57 11.81 9.99 6.36 4.16 0.00 0.95 1.16 3 R C C 172.40 1.88 8.50 11.85 110.17 -138.61 -88.13 113.00 81.56 2.46 15.97 56.49 14.72 10.10 10.63 5.51 0.00 1.17 1.37 4 F C C 136.05 3.87 8.05 13.58 109.85 104.96 -89.72 114.39 77.27 1.47 21.26 53.21 13.97 9.63 16.68 5.01 0.00 0.64 0.87 5 S C C 73.00 2.77 10.46 14.39 109.10 -145.65 -84.07 147.18 67.33 0.75 31.92 42.09 14.40 10.35 28.53 3.90 0.00 0.28 0.44 6 E H H 135.18 2.08 11.19 14.13 98.65 -90.47 -71.19 -31.55 41.98 0.43 57.59 18.88 12.57 11.95 52.37 3.81 0.02 0.15 0.24 7 S H H 68.96 2.35 12.04 15.08 97.95 52.79 -70.81 -39.28 22.82 0.21 76.97 9.69 5.35 8.98 72.56 3.21 0.02 0.08 0.12 8 A H H 60.09 2.95 11.94 16.01 94.99 51.32 -67.08 -38.63 13.63 0.13 86.25 6.67 2.48 5.02 83.45 2.25 0.01 0.05 0.06 9 A H H 59.43 3.08 12.86 17.00 93.31 52.88 -65.70 -40.16 7.08 0.07 92.85 3.67 1.16 2.47 91.30 1.33 0.00 0.03 0.03 10 K H H 130.37 1.81 14.47 16.32 92.68 50.64 -66.20 -40.04 4.85 0.05 95.10 2.30 0.74 1.90 94.12 0.89 0.00 0.03 0.02 11 K H H 124.25 1.95 15.31 17.13 92.46 50.33 -65.49 -40.77 3.24 0.03 96.73 1.50 0.46 1.26 96.22 0.54 0.00 0.01 0.01 12 A H H 55.72 2.88 15.13 18.57 92.45 50.05 -64.87 -40.97 1.96 0.01 98.03 0.76 0.23 0.84 97.82 0.34 0.00 0.00 0.00 13 A H H 55.46 2.66 15.63 18.73 92.03 50.74 -64.79 -40.91 1.56 0.00 98.43 0.46 0.15 0.75 98.40 0.24 0.00 0.00 0.00 14 G H H 32.71 2.76 15.55 18.90 91.93 50.66 -63.62 -42.14 1.89 0.00 98.10 0.49 0.16 0.97 98.15 0.22 0.00 0.00 0.00 15 L H H 91.98 2.12 16.35 18.16 92.11 49.72 -65.23 -40.58 1.10 0.00 98.90 0.31 0.10 0.52 98.92 0.15 0.00 0.00 0.00 16 A H H 53.27 2.92 14.95 18.57 91.95 51.36 -64.03 -41.45 0.96 0.00 99.04 0.24 0.08 0.46 99.08 0.13 0.00 0.00 0.00 17 R H H 141.37 1.66 15.92 17.05 92.16 50.01 -64.77 -40.58 0.99 0.00 99.00 0.24 0.08 0.50 99.07 0.11 0.00 0.00 0.00 18 K H H 124.59 1.56 15.84 16.66 92.00 50.20 -64.82 -40.90 0.67 0.00 99.32 0.16 0.06 0.33 99.38 0.08 0.00 0.00 0.00 19 R H H 137.41 1.82 15.55 17.08 91.98 49.77 -64.65 -40.83 0.57 0.00 99.43 0.12 0.04 0.29 99.47 0.08 0.00 0.00 0.00 20 D H H 84.44 2.13 15.45 17.60 92.06 50.21 -64.63 -41.12 0.59 0.00 99.41 0.11 0.04 0.30 99.47 0.07 0.00 0.00 0.00 21 Q H H 104.75 1.60 16.25 16.97 92.08 49.72 -64.80 -40.97 0.57 0.00 99.43 0.10 0.04 0.31 99.48 0.07 0.00 0.00 0.00 22 A H H 54.14 2.14 15.39 17.64 91.73 50.26 -63.64 -41.41 0.71 0.00 99.29 0.12 0.05 0.39 99.35 0.09 0.00 0.00 0.00 23 H H H 101.34 2.56 15.29 18.12 92.07 49.82 -64.74 -40.87 0.80 0.00 99.20 0.15 0.05 0.43 99.26 0.10 0.00 0.00 0.00 24 A H H 58.52 2.16 15.46 17.69 91.82 50.78 -63.91 -40.82 0.70 0.00 99.30 0.13 0.05 0.37 99.35 0.10 0.00 0.00 0.00 25 K H H 124.99 1.38 16.19 16.48 91.94 49.75 -64.98 -40.58 0.83 0.00 99.17 0.17 0.06 0.44 99.23 0.10 0.00 0.00 0.00 26 Q H H 103.50 1.95 15.50 17.24 92.05 49.56 -65.12 -40.79 0.93 0.00 99.07 0.22 0.07 0.47 99.13 0.11 0.00 0.00 0.00 27 R H H 133.63 1.93 15.49 17.28 91.84 50.09 -64.61 -40.87 0.80 0.00 99.20 0.18 0.06 0.42 99.25 0.10 0.00 0.00 0.00 28 A H H 57.29 1.88 15.49 17.11 91.67 50.36 -63.88 -41.73 0.77 0.00 99.23 0.19 0.05 0.38 99.27 0.11 0.00 0.00 0.00 29 Q H H 99.47 1.82 15.85 17.19 91.88 49.85 -64.68 -40.77 0.82 0.00 99.17 0.18 0.05 0.42 99.24 0.10 0.00 0.00 0.00 30 M H H 98.75 2.62 14.95 17.95 91.92 50.03 -64.78 -40.81 0.71 0.00 99.29 0.16 0.05 0.35 99.36 0.08 0.00 0.00 0.00 31 E H H 110.25 1.82 15.73 17.23 91.96 50.72 -64.56 -40.65 0.60 0.00 99.40 0.13 0.04 0.29 99.47 0.07 0.00 0.00 0.00 32 Q H H 109.12 1.49 16.04 16.58 92.09 49.99 -64.97 -40.66 0.64 0.00 99.36 0.13 0.04 0.33 99.43 0.08 0.00 0.00 0.00 33 L H H 88.72 2.46 14.99 17.68 92.14 49.35 -64.58 -41.58 0.64 0.00 99.36 0.13 0.05 0.32 99.42 0.08 0.00 0.00 0.00 34 E H H 106.03 2.37 15.27 17.87 92.06 50.39 -64.26 -41.39 0.74 0.00 99.26 0.15 0.05 0.38 99.31 0.10 0.00 0.00 0.00 35 A H H 60.76 1.83 15.47 16.95 92.01 50.19 -63.92 -41.28 1.00 0.00 99.00 0.19 0.08 0.54 99.04 0.15 0.00 0.00 0.00 36 E H H 110.93 1.64 16.06 16.92 92.01 49.58 -64.75 -41.16 1.47 0.00 98.53 0.28 0.13 0.83 98.51 0.25 0.00 0.00 0.00 37 E H H 97.17 2.72 14.75 17.92 92.08 49.76 -64.77 -41.08 2.26 0.01 97.73 0.45 0.22 1.32 97.55 0.45 0.00 0.00 0.00 38 A H H 55.25 2.60 14.15 17.53 91.98 51.17 -63.68 -40.26 4.45 0.01 95.53 0.89 0.45 2.78 94.69 1.17 0.01 0.00 0.01 39 S H H 61.74 1.90 14.90 16.60 92.54 51.29 -64.44 -39.99 11.07 0.03 88.90 1.56 0.98 8.12 86.30 3.00 0.02 0.01 0.02 40 K H H 121.66 1.96 14.14 16.14 92.65 50.98 -65.70 -39.78 17.34 0.09 82.57 3.63 2.15 11.42 77.35 5.34 0.03 0.04 0.05 41 W H H 139.10 3.33 11.57 16.10 93.33 50.52 -67.34 -38.76 23.58 0.34 76.08 11.47 3.56 9.16 66.96 8.50 0.02 0.17 0.17 42 E H H 132.75 1.66 12.68 14.73 93.84 53.10 -68.02 -34.26 33.18 0.64 66.17 14.52 4.52 15.08 58.61 6.56 0.03 0.32 0.35 43 Q C H 130.54 1.37 12.28 13.67 97.69 56.06 -76.05 -18.66 51.22 0.48 48.30 8.99 9.41 33.09 42.08 5.81 0.07 0.20 0.34 44 G C T 46.05 2.97 11.32 15.38 103.20 43.01 -65.11 -18.41 69.46 0.38 30.16 18.44 13.04 38.47 24.64 4.98 0.01 0.14 0.29 45 S C C 66.20 3.62 10.30 15.37 104.94 81.39 -78.31 30.32 71.25 0.86 27.89 48.65 9.61 12.78 21.40 6.65 0.00 0.38 0.53 46 R C C 153.62 3.03 10.84 15.24 103.36 85.11 -82.12 6.86 64.12 1.25 34.63 39.79 12.71 12.06 27.70 6.51 0.01 0.54 0.69 47 K C C 136.95 2.54 11.54 15.20 106.64 82.14 -83.99 83.47 61.86 0.84 37.29 39.00 12.64 10.32 31.71 5.54 0.00 0.35 0.44 48 E C C 123.76 2.99 11.36 15.63 104.91 -129.63 -80.24 68.02 60.53 0.52 38.96 40.82 9.07 9.56 36.20 3.88 0.00 0.21 0.27 49 N C H 85.22 4.04 10.98 16.51 107.97 64.10 -85.59 115.76 53.03 0.29 46.68 39.20 5.84 6.72 45.45 2.54 0.00 0.10 0.15 50 A H H 69.75 2.63 11.95 15.69 94.82 -147.43 -65.19 -35.49 16.39 0.10 83.51 9.77 2.49 4.33 81.27 2.07 0.00 0.04 0.04 51 K H H 131.10 1.38 13.56 14.65 92.88 53.47 -65.80 -39.37 8.60 0.06 91.34 4.64 1.26 2.90 89.45 1.70 0.00 0.03 0.02 52 K H H 111.03 2.20 13.59 16.29 92.40 50.73 -65.55 -39.96 5.10 0.04 94.85 2.87 0.69 1.70 93.39 1.31 0.00 0.02 0.01 53 L H H 85.06 2.66 13.67 17.19 92.24 50.58 -64.50 -41.15 2.88 0.02 97.10 1.47 0.36 1.00 96.53 0.63 0.00 0.01 0.01 54 E H H 106.00 1.70 15.25 16.53 91.92 49.99 -64.10 -41.11 2.04 0.01 97.95 0.89 0.22 0.78 97.73 0.37 0.00 0.00 0.00 55 E H H 103.09 1.77 15.23 16.66 91.93 49.88 -64.52 -41.09 1.55 0.00 98.45 0.57 0.15 0.64 98.39 0.23 0.00 0.00 0.00 56 E H H 95.81 2.37 14.65 17.46 91.76 50.22 -64.31 -40.92 1.17 0.00 98.82 0.37 0.11 0.51 98.86 0.15 0.00 0.00 0.00 57 Q H H 99.21 1.94 15.08 16.96 91.85 50.13 -64.32 -40.92 0.99 0.00 99.01 0.28 0.08 0.44 99.08 0.11 0.00 0.00 0.00 58 K H H 117.62 1.59 15.27 16.35 91.91 50.27 -64.34 -41.00 0.87 0.00 99.13 0.23 0.07 0.40 99.20 0.09 0.00 0.00 0.00 59 R H H 136.49 1.67 15.25 16.55 91.86 50.00 -64.73 -41.08 0.67 0.00 99.33 0.17 0.05 0.31 99.39 0.08 0.00 0.00 0.00 60 Q H H 101.32 1.93 15.34 17.11 91.85 49.97 -64.61 -40.94 0.52 0.00 99.48 0.12 0.04 0.25 99.54 0.06 0.00 0.00 0.00 61 E H H 105.95 1.77 15.63 16.99 91.85 49.88 -64.26 -41.10 0.44 0.00 99.55 0.09 0.03 0.22 99.61 0.06 0.00 0.00 0.00 62 K H H 119.65 1.72 15.92 17.17 91.69 50.07 -64.72 -40.86 0.49 0.00 99.51 0.08 0.03 0.26 99.56 0.06 0.00 0.00 0.00 63 A H H 53.51 2.36 15.02 17.80 91.70 50.43 -63.78 -41.75 0.51 0.00 99.49 0.09 0.03 0.27 99.55 0.07 0.00 0.00 0.00 64 R H H 132.90 1.69 16.27 17.32 91.98 50.00 -64.54 -41.03 0.44 0.00 99.56 0.08 0.03 0.23 99.61 0.06 0.00 0.00 0.00 65 A H H 54.52 2.31 14.87 17.62 91.69 50.40 -63.51 -41.12 0.50 0.00 99.49 0.08 0.03 0.27 99.56 0.06 0.00 0.00 0.00 66 K H H 115.45 2.05 15.57 17.51 91.85 50.15 -64.64 -40.65 0.57 0.00 99.43 0.10 0.04 0.30 99.50 0.06 0.00 0.00 0.00 67 K H H 123.21 1.59 15.76 16.74 91.80 50.16 -64.49 -40.92 0.56 0.00 99.43 0.11 0.04 0.28 99.50 0.06 0.00 0.00 0.00 68 E H H 110.42 1.61 15.75 16.67 91.88 49.91 -64.50 -41.12 0.49 0.00 99.51 0.10 0.03 0.24 99.58 0.05 0.00 0.00 0.00 69 R H H 133.27 2.02 15.27 17.27 91.89 49.79 -64.64 -41.04 0.41 0.00 99.59 0.07 0.03 0.20 99.66 0.04 0.00 0.00 0.00 70 D H H 84.15 2.15 15.38 17.60 91.83 50.03 -64.38 -40.51 0.36 0.00 99.64 0.06 0.02 0.19 99.70 0.04 0.00 0.00 0.00 71 A H H 60.87 1.84 15.63 17.10 91.96 50.70 -63.92 -40.78 0.33 0.00 99.67 0.04 0.02 0.18 99.72 0.04 0.00 0.00 0.00 72 L H H 93.64 1.89 15.55 17.08 92.08 50.04 -64.68 -41.06 0.30 0.00 99.70 0.04 0.02 0.17 99.74 0.04 0.00 0.00 0.00 73 L H H 84.01 2.77 14.57 17.98 92.07 50.10 -64.33 -41.34 0.33 0.00 99.67 0.04 0.02 0.18 99.71 0.05 0.00 0.00 0.00 74 T H H 74.09 2.08 15.26 17.36 91.91 50.32 -63.45 -41.80 0.59 0.00 99.41 0.09 0.03 0.31 99.50 0.07 0.00 0.00 0.00 75 A H H 58.18 1.82 15.08 16.67 91.77 50.14 -63.31 -40.84 0.76 0.00 99.24 0.13 0.05 0.40 99.31 0.10 0.00 0.00 0.00 76 E H H 100.59 2.28 14.30 16.95 92.17 50.07 -64.46 -40.83 1.07 0.00 98.92 0.21 0.08 0.57 98.94 0.19 0.00 0.00 0.00 77 E H H 99.31 3.04 12.73 16.95 92.16 50.51 -65.08 -39.45 1.74 0.00 98.25 0.34 0.14 1.02 98.04 0.45 0.00 0.00 0.00 78 E H H 126.05 1.54 12.98 14.70 92.27 51.20 -65.38 -38.18 4.28 0.01 95.71 0.63 0.33 2.99 95.04 0.99 0.01 0.00 0.00 79 Q H H 134.82 1.08 12.86 13.55 93.27 51.12 -69.55 -31.26 12.13 0.03 87.84 1.06 0.93 9.70 87.13 1.15 0.01 0.01 0.01 80 L H H 108.35 2.49 10.95 14.39 95.96 51.59 -81.73 -14.81 40.28 0.27 59.46 5.79 8.34 25.81 58.07 1.68 0.05 0.08 0.20 81 G C C 45.36 3.25 11.28 16.02 108.46 -118.66 71.46 70.79 80.35 0.59 19.06 36.30 10.01 34.38 14.79 3.89 0.00 0.24 0.40 82 K C C 151.79 2.14 11.15 14.34 107.36 -43.23 -84.71 102.11 81.98 1.06 16.97 47.37 15.84 18.82 10.71 6.04 0.00 0.42 0.80 83 G C C 51.62 2.59 11.26 14.85 105.07 43.27 11.29 -10.03 83.64 0.86 15.50 39.25 22.95 21.96 8.18 6.66 0.00 0.33 0.65 84 G C C 46.32 3.59 10.81 15.82 107.78 18.27 47.62 -34.10 80.42 0.81 18.77 44.54 20.37 15.84 11.03 7.28 0.00 0.30 0.63 85 K C C 142.95 2.40 10.83 14.42 99.68 56.99 -74.71 -26.70 58.85 1.00 40.15 28.64 13.77 17.71 26.24 12.54 0.02 0.41 0.67 86 G C C 48.56 2.82 10.31 14.35 100.88 49.83 -58.57 -32.38 56.15 0.79 43.06 27.59 10.41 18.85 26.59 15.68 0.02 0.35 0.51 87 K H H 141.18 2.24 9.40 12.93 100.69 55.43 -78.86 -10.70 45.60 1.00 53.40 24.73 8.50 12.81 33.14 19.81 0.02 0.49 0.51 88 R H H 160.14 2.29 8.22 12.12 105.06 77.19 -82.26 57.62 48.66 1.32 50.02 26.76 8.85 13.61 32.00 17.46 0.02 0.66 0.65 89 K C C 154.65 1.58 8.16 11.07 105.81 80.49 -84.03 68.23 58.11 1.93 39.96 32.68 10.79 15.38 26.01 13.16 0.02 0.96 1.00 90 M C C 141.75 1.79 7.37 10.73 108.26 71.06 -87.96 104.28 77.21 1.26 21.54 61.71 2.88 13.67 15.32 5.01 0.00 0.60 0.79 91 K C C 154.41 2.03 10.01 13.51 109.07 -150.43 -87.02 104.83 99.94 0.03 0.04 99.80 0.08 0.08 0.02 0.00 0.00 0.01 0.00