# 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 126.89 3.70 10.39 15.58 111.24 -139.91 -88.27 123.99 99.80 0.12 0.08 99.68 0.11 0.08 0.04 0.01 0.00 0.05 0.02 1 M C C 135.62 2.40 8.40 12.40 111.94 -151.82 -90.97 122.86 78.24 4.80 16.96 72.59 1.66 4.23 14.75 2.05 0.00 2.42 2.30 2 V C C 98.76 3.28 7.83 12.89 114.64 -158.88 -96.92 134.80 68.60 4.55 26.85 50.51 9.99 7.25 24.18 3.86 0.01 2.70 1.50 3 D C C 100.03 2.39 9.65 13.34 110.19 -123.69 -84.68 119.91 62.32 3.41 34.27 49.28 6.36 6.41 29.79 4.98 0.00 2.07 1.09 4 M H H 121.28 3.72 8.69 14.12 97.06 -159.62 -71.30 -22.83 33.61 1.72 64.67 18.83 6.01 9.82 48.87 14.78 0.05 1.07 0.57 5 T H H 92.55 2.37 10.32 13.88 96.30 67.46 -71.73 -29.35 32.25 1.53 66.22 15.86 5.87 11.39 50.22 15.10 0.08 0.94 0.54 6 Q H H 121.28 2.28 10.60 13.94 96.87 57.75 -77.90 -19.97 34.99 1.64 63.38 16.42 7.56 12.23 47.71 14.43 0.10 0.91 0.64 7 L H H 101.93 4.05 9.32 15.05 101.55 66.63 -84.77 -9.90 48.18 2.18 49.64 25.43 10.82 14.16 39.67 7.81 0.08 1.06 0.98 8 T C H 89.12 3.26 10.70 15.42 106.28 98.37 -87.29 53.95 58.79 2.28 38.94 31.51 11.69 16.96 32.34 5.29 0.06 1.02 1.12 9 G C H 49.45 3.41 11.66 16.27 103.44 -24.73 43.88 -16.03 60.59 1.54 37.87 23.25 15.94 22.81 27.14 9.24 0.08 0.68 0.87 10 D C H 98.53 2.91 11.46 15.55 103.10 72.00 -81.09 -4.12 51.68 1.41 46.91 19.69 12.27 20.97 32.38 13.12 0.11 0.68 0.79 11 Y H H 141.13 3.90 10.89 16.15 100.91 62.55 -81.64 -8.32 44.93 1.98 53.09 18.10 9.98 18.30 35.93 15.42 0.23 0.98 1.06 12 A H H 62.84 4.33 11.19 17.05 99.90 70.47 -72.62 -30.59 32.37 1.23 66.40 13.42 6.39 12.71 43.91 22.29 0.10 0.63 0.54 13 A H G 68.18 3.71 11.65 16.63 97.87 56.90 -73.11 -26.81 20.86 0.41 78.73 4.69 2.89 11.47 39.37 41.15 0.04 0.22 0.16 14 S H G 71.97 3.22 11.89 16.24 97.60 60.40 -76.16 -17.83 28.00 0.28 71.72 3.10 2.89 19.19 30.05 44.45 0.03 0.15 0.14 15 W H G 152.14 3.70 11.51 16.48 98.30 58.85 -83.23 -10.63 33.90 0.31 65.79 4.86 3.95 22.64 28.45 39.72 0.03 0.16 0.19 16 L H H 87.20 4.09 11.29 17.10 95.03 81.74 -65.71 -39.50 21.57 0.29 78.14 9.93 4.78 7.69 63.22 14.08 0.02 0.14 0.14 17 P H H 78.63 3.33 12.10 16.75 93.30 54.06 -66.15 -35.80 7.74 0.06 92.20 1.54 0.73 4.50 70.06 23.10 0.01 0.04 0.02 18 W H H 167.71 2.05 12.74 15.31 93.27 52.72 -68.27 -35.60 3.18 0.02 96.80 0.31 0.23 2.23 71.92 25.28 0.00 0.01 0.00 19 I H H 104.86 2.36 12.66 15.68 94.17 49.46 -70.99 -36.00 7.88 0.04 92.08 0.43 0.50 6.20 69.15 23.67 0.01 0.02 0.01 20 M H H 99.35 3.50 12.42 17.13 94.92 49.44 -75.65 -29.86 23.07 0.08 76.86 0.91 1.33 19.98 62.34 15.28 0.07 0.04 0.06 21 I H H 87.06 3.35 12.34 17.11 92.48 63.32 -63.59 -42.48 7.86 0.06 92.08 1.69 1.37 4.68 83.67 8.52 0.02 0.03 0.03 22 P H H 74.25 2.48 13.78 16.88 92.02 50.36 -64.90 -39.66 5.69 0.04 94.26 0.77 0.45 3.96 84.66 10.10 0.01 0.03 0.01 23 L H H 94.95 2.04 13.77 16.01 92.81 49.79 -66.43 -39.71 3.35 0.05 96.60 0.45 0.30 2.31 86.98 9.90 0.01 0.03 0.01 24 V H H 81.32 2.67 12.84 16.37 92.86 49.33 -65.90 -40.29 3.71 0.09 96.20 0.68 0.48 2.47 89.21 7.05 0.02 0.06 0.02 25 F H H 123.15 2.44 12.51 15.68 93.33 47.97 -67.70 -37.10 13.76 0.12 86.12 0.91 0.87 11.68 76.63 9.70 0.08 0.08 0.06 26 Y H H 151.00 1.57 13.06 14.59 94.26 46.13 -72.25 -35.50 22.54 0.11 77.35 0.85 1.35 20.30 69.94 7.30 0.13 0.05 0.07 27 I H H 108.97 1.59 13.34 14.72 96.10 45.31 -75.10 -36.98 26.62 0.29 73.09 1.88 3.61 21.59 67.92 4.40 0.29 0.12 0.21 28 L C H 92.93 2.71 12.85 16.33 95.85 50.35 -70.96 -35.66 53.99 0.79 45.22 7.45 11.16 34.96 41.58 3.85 0.18 0.31 0.52 29 P H H 71.82 3.16 12.52 16.87 93.93 53.44 -66.99 -37.87 32.74 0.25 67.01 9.51 3.65 19.72 63.48 3.34 0.05 0.10 0.16 30 F H H 124.15 1.93 13.99 16.09 92.81 54.58 -65.26 -40.85 3.07 0.02 96.91 0.99 0.48 1.45 96.36 0.70 0.00 0.01 0.01 31 P H H 80.22 1.78 14.65 16.12 92.32 49.65 -65.35 -41.07 1.02 0.02 98.96 0.36 0.10 0.49 98.68 0.36 0.00 0.01 0.00 32 V H H 80.91 2.23 14.07 16.68 92.45 49.68 -64.84 -41.73 0.39 0.01 99.60 0.11 0.04 0.20 99.44 0.21 0.00 0.00 0.00 33 F H H 115.88 2.24 14.23 16.88 92.14 50.05 -64.75 -41.11 0.23 0.00 99.76 0.05 0.02 0.13 99.71 0.09 0.00 0.00 0.00 34 A H H 58.85 1.96 14.26 16.38 91.59 51.10 -63.91 -41.74 0.25 0.00 99.75 0.04 0.01 0.15 99.72 0.07 0.00 0.00 0.00 35 I H H 98.86 1.62 14.87 16.06 91.83 49.77 -64.53 -41.47 0.24 0.00 99.76 0.03 0.01 0.15 99.75 0.05 0.00 0.00 0.00 36 L H H 90.81 2.07 14.44 16.69 91.57 50.37 -64.20 -41.55 0.20 0.00 99.80 0.02 0.01 0.12 99.80 0.04 0.00 0.00 0.00 37 F H H 115.01 2.01 14.33 16.50 91.72 50.26 -64.41 -41.19 0.26 0.00 99.74 0.03 0.01 0.17 99.73 0.06 0.00 0.00 0.00 38 L H H 91.92 1.80 14.69 16.29 91.58 50.19 -64.28 -41.64 0.33 0.00 99.67 0.04 0.02 0.22 99.64 0.07 0.00 0.00 0.00 39 W H H 141.76 1.70 14.70 16.06 91.96 49.40 -64.62 -41.84 0.64 0.00 99.35 0.10 0.04 0.45 99.27 0.14 0.00 0.00 0.00 40 I H H 93.15 2.01 14.16 16.33 91.84 49.11 -64.87 -41.66 1.28 0.02 98.69 0.32 0.12 0.76 98.59 0.20 0.00 0.01 0.00 41 Q H H 103.77 1.88 14.26 16.19 91.82 49.78 -65.16 -40.40 2.83 0.04 97.14 0.75 0.30 1.61 96.95 0.36 0.00 0.02 0.01 42 K H H 122.52 1.51 14.82 15.78 92.25 49.54 -65.59 -40.64 7.46 0.06 92.48 1.59 0.85 4.70 92.14 0.66 0.01 0.02 0.02 43 E H H 106.41 1.79 14.87 16.37 92.18 49.22 -65.92 -40.15 13.34 0.09 86.56 4.10 1.90 6.94 86.13 0.82 0.01 0.04 0.05 44 A H H 53.73 2.64 13.69 17.21 92.25 52.33 -64.85 -40.67 16.64 0.14 83.23 8.56 2.56 5.36 82.19 1.21 0.00 0.05 0.06 45 S H H 59.68 2.15 14.05 16.54 92.50 51.83 -65.04 -40.41 12.47 0.12 87.41 6.41 1.71 4.46 85.70 1.61 0.00 0.06 0.04 46 E H H 112.62 1.54 14.67 15.68 92.27 50.58 -65.53 -40.27 8.25 0.11 91.64 4.11 1.28 3.11 89.76 1.64 0.00 0.06 0.03 47 E H H 111.64 1.72 14.18 15.74 92.23 50.66 -65.35 -40.56 7.31 0.15 92.54 3.82 1.15 2.73 90.65 1.51 0.01 0.09 0.04 48 I H H 93.99 2.16 13.18 15.81 92.15 50.39 -65.09 -41.26 6.87 0.19 92.94 3.65 1.12 2.55 91.14 1.37 0.01 0.11 0.05 49 K H H 122.89 1.55 13.81 15.12 92.22 50.23 -65.01 -40.87 7.55 0.22 92.24 4.08 1.21 2.73 90.47 1.32 0.01 0.13 0.05 50 E H H 115.52 1.48 13.50 14.66 92.20 50.00 -65.87 -39.73 9.94 0.24 89.81 4.91 1.62 3.96 87.75 1.55 0.01 0.14 0.07 51 T H H 79.50 1.94 12.73 15.00 92.80 50.61 -66.23 -39.88 13.13 0.25 86.63 5.93 2.36 5.46 84.30 1.72 0.02 0.12 0.09 52 D H H 97.99 1.56 12.89 14.46 93.64 51.09 -67.46 -37.62 17.24 0.26 82.49 8.02 3.23 6.71 79.76 2.04 0.02 0.12 0.10 53 N H H 102.72 1.66 12.34 14.17 94.82 52.47 -69.38 -34.86 22.37 0.32 77.31 10.22 3.94 8.94 73.57 3.02 0.02 0.15 0.13 54 N H H 97.68 2.14 11.62 14.46 95.21 55.02 -69.32 -34.93 27.04 0.42 72.54 12.90 4.20 10.90 67.86 3.73 0.02 0.21 0.19 55 L H H 108.67 1.99 11.30 13.99 94.50 54.83 -69.60 -35.90 24.69 0.51 74.80 12.44 4.68 8.88 69.02 4.49 0.03 0.25 0.21 56 A H H 69.21 1.96 11.52 14.12 94.29 57.66 -68.15 -36.63 28.69 0.78 70.53 15.11 5.84 9.30 63.81 5.23 0.03 0.40 0.29 57 E H H 126.63 1.60 11.24 13.22 95.37 51.73 -71.41 -31.89 34.80 1.50 63.70 20.24 5.76 10.49 56.34 5.77 0.03 0.84 0.52 58 I H H 113.27 2.08 9.69 12.82 97.96 53.29 -74.17 -28.02 35.22 1.84 62.94 19.03 6.58 11.88 53.46 7.23 0.07 1.06 0.68 59 G H H 50.31 2.20 9.85 13.20 98.98 54.32 -70.49 -25.88 46.24 1.42 52.34 22.01 7.31 18.53 41.85 8.85 0.05 0.77 0.63 60 E C H 145.99 1.36 9.29 11.43 99.78 59.24 -81.62 -5.60 53.53 2.38 44.08 25.20 9.42 20.09 31.46 11.43 0.07 1.27 1.07 61 L C C 128.05 1.54 7.87 10.66 104.24 77.72 -83.83 20.39 64.29 3.98 31.73 28.67 14.32 22.53 22.15 8.49 0.10 2.08 1.66 62 E C C 152.99 1.17 8.55 10.60 106.67 122.14 -89.53 83.99 74.06 5.02 20.92 36.68 15.08 23.26 13.27 6.88 0.04 2.65 2.13 63 V C C 106.54 2.58 6.64 11.18 115.74 107.99 -92.88 130.41 94.99 2.29 2.73 56.64 35.73 2.89 1.74 0.92 0.00 1.04 1.05 64 P C C 106.91 1.94 7.50 11.18 111.51 -108.60 -68.67 142.95 94.43 1.70 3.87 73.83 9.40 11.47 1.60 1.93 0.00 1.00 0.76 65 N C C 134.63 1.13 7.49 9.89 109.80 -133.13 -88.31 113.07 96.19 1.43 2.38 86.38 2.32 8.04 0.84 0.98 0.00 0.77 0.66 66 S C C 89.93 1.84 9.35 12.60 111.15 -131.33 -88.79 126.93 99.92 0.06 0.02 99.76 0.13 0.06 0.01 0.00 0.00 0.03 0.01