# 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 113.69 5.31 10.29 17.24 115.62 -157.64 -93.22 137.06 99.93 0.03 0.04 99.89 0.04 0.03 0.02 0.00 0.00 0.01 0.00 1 S C C 75.10 3.25 8.90 13.80 112.87 -133.60 -85.05 139.75 79.20 1.18 19.62 75.41 0.92 3.11 18.42 1.13 0.00 0.55 0.46 2 K C H 151.73 2.19 8.74 12.33 101.66 -146.05 -78.59 -10.03 52.93 1.82 45.24 39.85 6.77 6.52 41.87 3.40 0.01 0.99 0.60 3 T H H 93.41 2.32 9.14 12.78 101.14 77.83 -77.34 -24.89 37.29 2.88 59.83 26.22 6.03 6.53 52.46 6.02 0.02 2.06 0.66 4 Y H H 146.48 3.28 9.36 14.10 102.00 61.43 -78.55 -21.37 29.46 3.39 67.14 20.50 4.77 6.04 57.93 7.36 0.03 2.69 0.67 5 L H H 100.17 4.34 9.32 15.30 101.48 69.56 -77.75 -20.90 26.99 2.59 70.42 18.66 4.52 5.80 61.70 6.74 0.02 2.02 0.54 6 K H H 132.43 2.52 11.29 14.99 101.58 64.06 -82.66 -4.74 30.92 1.86 67.22 19.84 5.35 7.29 61.11 4.66 0.02 1.30 0.44 7 S H H 64.21 3.33 10.88 15.54 109.17 58.17 -83.73 119.01 36.81 1.49 61.70 21.94 6.21 9.73 56.33 4.41 0.02 0.94 0.42 8 W H H 154.75 4.11 9.55 15.26 98.24 -32.95 -73.43 -30.48 34.70 1.05 64.25 18.58 7.22 10.22 57.42 5.56 0.03 0.64 0.35 9 K H H 136.80 2.34 10.92 14.35 96.53 59.41 -71.60 -30.07 36.70 0.92 62.38 19.36 7.30 10.98 55.89 5.60 0.02 0.53 0.32 10 E H H 122.50 2.38 10.59 14.06 98.20 59.23 -75.27 -26.52 42.99 0.82 56.19 24.64 7.36 11.35 50.47 5.41 0.01 0.43 0.32 11 K H H 128.99 3.20 9.59 14.39 100.34 61.85 -78.59 -17.99 45.69 0.75 53.56 28.00 7.59 10.39 47.55 5.76 0.01 0.37 0.33 12 K H H 137.11 3.05 9.43 14.08 103.02 64.91 -80.93 0.83 49.00 0.94 50.06 29.64 7.96 11.78 42.32 7.40 0.01 0.48 0.42 13 E C C 135.24 2.48 9.44 13.40 104.90 66.04 -83.59 32.69 59.54 0.99 39.47 35.32 9.74 14.33 32.88 6.75 0.01 0.47 0.49 14 K C C 147.73 2.08 9.60 13.15 109.81 69.75 -89.76 112.78 69.70 0.82 29.48 40.34 15.52 13.78 24.16 5.36 0.01 0.33 0.50 15 M C C 119.75 3.35 8.98 14.19 116.08 -123.56 -90.54 136.07 85.84 0.43 13.74 58.77 22.62 3.90 12.56 1.75 0.00 0.14 0.26 16 P C C 90.42 3.92 9.32 15.10 109.48 -106.02 -68.78 144.66 67.70 0.62 31.68 46.94 6.07 14.77 21.47 10.08 0.00 0.29 0.37 17 N C C 113.97 3.16 9.07 13.94 105.79 -121.16 -85.67 84.51 59.98 0.83 39.20 34.24 8.04 17.78 23.41 15.61 0.01 0.37 0.53 18 A C H 81.96 2.61 9.58 13.74 107.14 111.59 -84.44 72.74 57.35 0.73 41.92 20.27 12.77 24.27 24.32 17.52 0.03 0.32 0.50 19 A C T 89.66 1.53 10.27 12.68 108.72 -122.25 -89.24 99.44 61.68 1.28 37.03 23.68 14.84 23.82 22.01 14.26 0.04 0.58 0.77 20 L C C 78.29 7.35 7.06 15.87 118.30 -135.81 -90.93 142.58 85.17 1.75 13.08 49.32 31.53 4.27 10.75 2.48 0.00 0.56 1.09 21 S C C 62.69 1.94 12.71 14.99 118.37 -115.96 -75.29 159.54 89.96 1.70 8.34 84.98 3.25 1.38 8.33 0.62 0.00 0.66 0.78 22 F H H 156.86 1.69 10.21 13.08 92.45 -106.99 -60.07 -37.85 3.30 0.01 96.69 1.14 0.57 1.45 96.22 0.60 0.00 0.00 0.00 23 K H H 145.21 0.87 12.64 12.65 92.44 52.26 -65.08 -39.58 1.66 0.01 98.33 0.38 0.18 0.96 97.83 0.64 0.00 0.00 0.00 24 Q H H 90.85 2.68 12.46 16.24 92.39 49.49 -66.26 -40.09 1.07 0.01 98.93 0.33 0.11 0.56 98.28 0.72 0.00 0.00 0.00 25 R H H 116.47 3.37 12.48 17.26 92.13 51.50 -64.39 -40.96 0.71 0.00 99.28 0.22 0.07 0.34 99.10 0.28 0.00 0.00 0.00 26 L H H 93.96 1.64 14.43 15.75 91.85 50.20 -64.28 -40.85 0.95 0.00 99.05 0.24 0.08 0.49 99.00 0.17 0.00 0.00 0.00 27 R H H 135.55 1.53 15.06 16.03 92.03 50.26 -64.79 -41.16 1.26 0.01 98.74 0.35 0.11 0.67 98.68 0.19 0.00 0.00 0.00 28 I H H 83.42 2.78 13.92 17.60 92.08 49.63 -64.72 -41.73 0.99 0.00 99.00 0.29 0.09 0.49 98.99 0.14 0.00 0.00 0.00 29 K H H 113.40 2.00 15.12 17.10 91.76 50.32 -64.38 -41.26 0.88 0.00 99.11 0.27 0.08 0.42 99.11 0.12 0.00 0.00 0.00 30 Q H H 100.80 1.69 15.18 16.42 92.02 50.08 -64.77 -40.71 1.07 0.00 98.93 0.29 0.10 0.56 98.92 0.13 0.00 0.00 0.00 31 Q H H 102.51 1.73 14.96 16.37 92.01 50.35 -65.08 -40.58 1.41 0.00 98.58 0.40 0.14 0.72 98.60 0.13 0.00 0.00 0.00 32 K H H 114.89 2.02 14.66 16.80 92.01 50.35 -65.07 -40.61 1.59 0.01 98.40 0.53 0.15 0.73 98.46 0.12 0.00 0.00 0.00 33 R H H 136.83 1.64 15.10 16.34 92.00 50.27 -64.70 -41.10 1.14 0.00 98.85 0.41 0.11 0.49 98.90 0.09 0.00 0.00 0.00 34 V H H 84.31 1.67 15.29 16.42 91.81 49.86 -64.54 -41.57 0.83 0.00 99.16 0.27 0.07 0.38 99.21 0.08 0.00 0.00 0.00 35 E H H 109.42 1.74 15.36 16.72 92.03 49.62 -64.67 -41.12 0.71 0.00 99.29 0.21 0.05 0.33 99.34 0.07 0.00 0.00 0.00 36 R H H 132.32 1.96 15.13 17.06 92.03 49.68 -64.68 -40.93 0.60 0.00 99.40 0.13 0.04 0.31 99.45 0.07 0.00 0.00 0.00 37 S H H 64.21 1.78 15.58 16.96 91.78 50.24 -64.43 -40.77 0.67 0.00 99.33 0.12 0.04 0.36 99.40 0.07 0.00 0.00 0.00 38 A H H 58.92 1.89 15.36 17.01 91.93 50.51 -64.28 -41.15 0.73 0.00 99.27 0.13 0.04 0.39 99.36 0.08 0.00 0.00 0.00 39 L H H 93.27 1.95 15.16 16.98 91.87 49.95 -64.70 -40.99 0.58 0.00 99.42 0.10 0.04 0.30 99.48 0.07 0.00 0.00 0.00 40 L H H 93.06 2.00 15.17 17.14 91.81 50.38 -64.53 -40.91 0.44 0.00 99.56 0.08 0.03 0.22 99.61 0.06 0.00 0.00 0.00 41 S H H 59.96 1.82 15.60 17.04 91.72 50.69 -64.44 -41.08 0.48 0.00 99.51 0.08 0.03 0.25 99.58 0.05 0.00 0.00 0.00 42 K H H 121.80 1.60 15.57 16.61 91.99 50.18 -65.07 -40.68 0.34 0.00 99.66 0.05 0.02 0.18 99.71 0.04 0.00 0.00 0.00 43 I H H 92.78 2.14 14.77 17.07 91.92 49.93 -64.79 -41.51 0.19 0.00 99.81 0.03 0.01 0.09 99.84 0.03 0.00 0.00 0.00 44 K H H 122.94 1.53 15.64 16.53 91.71 50.44 -64.66 -41.07 0.20 0.00 99.80 0.03 0.01 0.11 99.82 0.03 0.00 0.00 0.00 45 I H H 95.68 1.66 15.39 16.50 91.84 49.45 -64.47 -41.98 0.23 0.00 99.77 0.03 0.01 0.14 99.79 0.04 0.00 0.00 0.00 46 L H H 90.46 1.93 15.02 16.85 91.67 49.68 -64.45 -41.55 0.25 0.00 99.75 0.03 0.01 0.14 99.78 0.04 0.00 0.00 0.00 47 K H H 115.16 1.83 15.22 16.86 91.79 50.42 -64.74 -40.95 0.56 0.00 99.44 0.07 0.03 0.34 99.50 0.06 0.00 0.00 0.00 48 T H H 72.99 1.83 15.14 16.73 91.74 49.62 -64.66 -41.26 0.89 0.00 99.11 0.12 0.06 0.55 99.17 0.09 0.00 0.00 0.00 49 R H H 138.81 1.54 15.33 16.32 91.82 50.24 -64.87 -40.87 0.92 0.00 99.08 0.17 0.07 0.51 99.15 0.11 0.00 0.00 0.00 50 K H H 118.41 1.77 15.04 16.58 91.91 50.06 -65.13 -40.80 1.09 0.00 98.91 0.23 0.09 0.60 98.95 0.13 0.00 0.00 0.00 51 R H H 135.90 1.56 15.27 16.30 91.75 49.98 -64.74 -41.10 0.90 0.00 99.09 0.18 0.07 0.50 99.12 0.13 0.00 0.00 0.00 52 N H H 84.91 1.76 15.19 16.59 91.67 49.93 -64.65 -41.21 0.94 0.00 99.06 0.18 0.08 0.52 99.08 0.14 0.00 0.00 0.00 53 F H H 114.34 1.75 14.95 16.40 91.72 49.85 -64.11 -41.95 0.82 0.00 99.18 0.15 0.06 0.46 99.20 0.13 0.00 0.00 0.00 54 L H H 92.49 1.79 14.72 16.35 91.74 49.87 -64.30 -41.45 0.70 0.00 99.30 0.14 0.06 0.37 99.32 0.11 0.00 0.00 0.00 55 R H H 134.91 1.48 15.00 15.88 91.93 50.04 -64.76 -40.98 0.72 0.00 99.28 0.13 0.06 0.39 99.32 0.10 0.00 0.00 0.00 56 E H H 104.76 1.71 14.92 16.31 91.77 49.82 -64.72 -41.09 0.80 0.00 99.19 0.15 0.06 0.45 99.24 0.10 0.00 0.00 0.00 57 R H H 132.81 1.60 14.90 16.08 91.91 49.89 -64.69 -41.08 0.83 0.00 99.16 0.16 0.07 0.45 99.22 0.10 0.00 0.00 0.00 58 Q H H 98.45 1.74 14.72 16.23 91.71 50.21 -64.55 -41.07 0.79 0.00 99.21 0.17 0.06 0.40 99.26 0.10 0.00 0.00 0.00 59 K H H 119.52 1.52 14.96 15.94 91.71 50.07 -64.77 -40.92 0.74 0.00 99.26 0.15 0.06 0.38 99.31 0.09 0.00 0.00 0.00 60 Q H H 101.29 1.66 14.74 16.08 91.81 50.08 -64.77 -40.91 0.64 0.00 99.35 0.13 0.05 0.32 99.42 0.08 0.00 0.00 0.00 61 R H H 133.36 1.52 14.89 15.85 91.87 50.17 -64.63 -41.26 0.58 0.00 99.42 0.11 0.04 0.29 99.48 0.07 0.00 0.00 0.00 62 E H H 103.80 1.69 14.81 16.17 91.80 49.97 -64.60 -41.12 0.57 0.00 99.43 0.11 0.04 0.29 99.48 0.07 0.00 0.00 0.00 63 M H H 99.56 1.68 14.35 15.83 91.73 50.23 -64.21 -41.23 0.56 0.00 99.44 0.10 0.04 0.29 99.49 0.08 0.00 0.00 0.00 64 K H H 118.92 1.53 14.46 15.59 91.70 50.23 -64.54 -41.01 0.68 0.00 99.32 0.12 0.05 0.36 99.37 0.10 0.00 0.00 0.00 65 K H H 119.49 1.52 14.16 15.35 91.82 50.18 -64.52 -41.21 0.95 0.00 99.05 0.18 0.07 0.52 99.08 0.15 0.00 0.00 0.00 66 Q H H 108.31 1.32 13.79 14.55 91.97 49.88 -64.99 -39.94 1.41 0.00 98.59 0.28 0.12 0.78 98.56 0.25 0.00 0.00 0.00 67 E H H 109.86 1.42 12.95 14.19 91.94 50.36 -64.60 -40.38 2.45 0.01 97.54 0.54 0.24 1.41 97.27 0.53 0.00 0.00 0.00 68 N H H 94.64 1.45 11.86 13.48 92.30 50.80 -65.61 -39.49 5.24 0.01 94.74 1.01 0.49 3.29 94.22 0.97 0.00 0.01 0.01 69 M H H 124.65 1.19 10.76 12.06 92.82 51.24 -67.48 -36.38 10.47 0.03 89.50 1.84 1.07 6.98 88.50 1.57 0.01 0.01 0.02 70 A H H 85.17 1.08 9.64 11.11 93.80 54.59 -69.99 -29.86 24.68 0.10 75.22 4.59 2.91 16.57 74.18 1.62 0.02 0.03 0.07 71 K C H 160.30 0.90 8.97 10.17 97.85 54.78 -80.49 -12.03 54.25 0.20 45.56 24.48 2.20 25.56 46.17 1.38 0.00 0.06 0.14 72 S C C 83.00 2.26 10.07 13.73 105.83 86.88 -79.56 62.17 99.95 0.01 0.04 99.81 0.06 0.10 0.02 0.00 0.00 0.00 0.00