# 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 117.34 5.04 11.13 17.89 116.61 -162.44 -97.35 131.28 99.93 0.06 0.01 99.90 0.05 0.02 0.00 0.00 0.00 0.02 0.01 1 A C C 74.77 4.31 8.43 14.51 112.79 -148.88 -88.58 132.41 92.01 1.75 6.24 86.66 0.95 5.74 2.85 2.09 0.00 0.99 0.72 2 D C C 112.09 2.04 9.09 12.59 109.37 -154.85 -92.96 104.48 88.55 2.07 9.38 62.23 12.66 13.95 4.18 4.82 0.00 1.18 0.97 3 Y C C 146.91 4.68 7.99 14.33 106.53 148.93 -92.77 69.73 79.94 1.88 18.18 52.45 13.27 14.33 8.14 9.81 0.00 0.96 1.03 4 K C C 137.11 3.22 9.66 14.57 108.33 105.65 -91.10 87.01 74.94 1.36 23.70 44.89 13.96 16.30 11.68 11.69 0.00 0.64 0.84 5 D C C 102.76 3.21 9.90 14.62 106.59 63.82 -90.31 71.30 73.51 1.04 25.45 43.49 14.34 15.82 13.63 11.55 0.00 0.45 0.70 6 D C C 96.73 4.52 9.27 15.46 104.53 116.16 -89.25 39.65 71.68 0.83 27.49 43.59 14.20 13.95 16.45 10.86 0.00 0.34 0.60 7 D C C 101.79 3.39 10.29 15.25 104.95 111.80 -83.68 26.80 69.86 0.80 29.34 37.20 16.38 16.61 17.72 11.17 0.01 0.33 0.58 8 D C C 101.45 3.57 10.46 15.56 104.93 72.18 -85.79 57.70 73.17 0.95 25.88 41.52 15.21 16.80 14.14 11.25 0.00 0.40 0.67 9 K C C 129.96 4.57 9.85 16.14 102.69 135.10 -86.14 10.49 80.27 1.03 18.70 49.82 13.88 16.80 10.30 8.01 0.00 0.45 0.74 10 S C C 80.78 2.87 10.91 15.13 105.77 100.99 -92.51 27.09 87.43 0.98 11.59 49.76 21.77 16.10 6.30 4.89 0.00 0.36 0.82 11 G C C 32.27 5.52 10.80 17.94 126.54 62.30 -97.41 175.39 96.29 0.42 3.29 56.05 37.91 2.31 2.48 0.74 0.00 0.11 0.39 12 P C H 99.73 2.64 12.05 15.54 98.73 -69.46 -66.68 -32.04 53.66 0.30 46.04 13.60 8.21 32.04 35.95 9.81 0.02 0.13 0.23 13 D H H 103.27 2.37 12.24 15.45 99.72 51.52 -77.18 -15.00 47.36 0.37 52.27 12.97 6.72 28.05 41.73 10.05 0.04 0.17 0.27 14 E H H 104.17 4.75 11.39 17.68 95.63 77.01 -69.01 -32.38 25.53 0.51 73.96 15.20 5.36 6.27 62.29 10.42 0.01 0.26 0.20 15 V H H 88.72 3.30 13.08 17.47 93.73 57.72 -66.75 -39.70 21.55 0.56 77.89 13.89 3.99 5.27 71.16 5.18 0.01 0.31 0.18 16 D H H 88.08 2.48 14.50 17.28 93.61 50.67 -67.78 -37.24 24.52 0.55 74.93 16.27 4.13 5.54 69.46 4.11 0.01 0.28 0.19 17 A H H 55.42 4.09 12.68 18.21 93.53 55.42 -66.33 -38.55 21.75 0.37 77.88 13.21 4.21 5.40 74.39 2.47 0.01 0.17 0.14 18 S H H 63.90 3.20 13.98 18.10 93.81 52.22 -67.56 -37.72 19.31 0.23 80.45 10.50 3.54 5.74 78.19 1.82 0.01 0.10 0.09 19 G H H 39.95 3.01 14.49 18.16 94.53 52.07 -64.13 -42.64 16.33 0.19 83.48 8.52 3.14 5.30 80.98 1.90 0.01 0.08 0.08 20 R H H 145.73 2.13 15.17 17.34 92.96 49.23 -66.41 -40.17 10.62 0.18 89.20 5.50 1.88 3.91 86.60 1.93 0.01 0.09 0.07 21 M H H 102.26 3.00 15.06 18.68 92.69 49.75 -65.75 -40.75 8.89 0.15 90.96 4.54 1.51 3.34 88.64 1.83 0.01 0.08 0.05 22 A H H 55.56 3.54 14.69 19.16 92.31 50.72 -65.03 -40.15 11.11 0.13 88.76 4.72 1.73 4.84 87.10 1.49 0.01 0.06 0.06 23 G H H 37.14 2.99 15.18 18.86 92.60 51.07 -65.20 -40.27 14.75 0.10 85.15 5.93 1.92 6.62 84.30 1.15 0.00 0.04 0.05 24 M H H 100.42 2.57 15.59 18.38 92.77 50.61 -65.66 -40.71 5.09 0.03 94.88 2.33 0.77 1.83 94.41 0.64 0.00 0.01 0.01 25 A H H 56.19 3.01 15.55 19.03 92.00 50.40 -64.52 -41.23 2.53 0.02 97.46 0.99 0.31 1.10 97.12 0.46 0.00 0.01 0.01 26 L H H 90.00 2.98 15.61 18.89 92.14 49.69 -64.53 -41.04 1.54 0.01 98.45 0.48 0.17 0.75 98.23 0.37 0.00 0.00 0.00 27 A H H 54.51 3.00 15.28 18.99 91.84 50.83 -63.61 -41.53 0.85 0.00 99.14 0.25 0.09 0.40 99.08 0.17 0.00 0.00 0.00 28 R H H 134.11 2.08 16.16 18.08 92.18 49.71 -65.46 -40.78 0.81 0.00 99.18 0.19 0.07 0.44 99.16 0.14 0.00 0.00 0.00 29 A H H 55.08 3.07 15.29 18.85 91.80 50.23 -63.86 -41.49 0.60 0.00 99.40 0.13 0.05 0.33 99.39 0.11 0.00 0.00 0.00 30 W H H 139.10 3.16 15.53 19.09 92.02 50.18 -64.11 -41.13 0.37 0.00 99.63 0.07 0.03 0.20 99.62 0.08 0.00 0.00 0.00 31 K H H 117.74 2.36 16.05 18.56 91.83 49.99 -64.36 -41.02 0.52 0.00 99.48 0.07 0.03 0.32 99.49 0.08 0.00 0.00 0.00 32 Q H H 100.14 2.44 15.82 18.20 91.86 50.46 -64.40 -41.50 0.58 0.00 99.42 0.07 0.03 0.38 99.44 0.08 0.00 0.00 0.00 33 M H H 92.81 3.43 15.58 19.37 92.11 49.96 -64.73 -41.16 0.38 0.00 99.62 0.05 0.02 0.22 99.64 0.06 0.00 0.00 0.00 34 S H H 53.14 3.58 15.10 19.55 91.85 51.04 -63.73 -41.15 0.42 0.00 99.58 0.05 0.02 0.27 99.59 0.07 0.00 0.00 0.00 35 W H H 138.96 2.28 15.95 18.17 92.06 50.59 -64.68 -41.26 0.19 0.00 99.81 0.02 0.01 0.13 99.81 0.04 0.00 0.00 0.00 36 F H H 106.48 3.14 15.86 19.47 91.92 50.25 -63.96 -41.99 0.09 0.00 99.91 0.01 0.00 0.05 99.91 0.03 0.00 0.00 0.00 37 Y H H 111.78 4.58 15.41 20.81 92.03 49.44 -64.14 -41.81 0.11 0.00 99.89 0.01 0.00 0.07 99.89 0.03 0.00 0.00 0.00 38 Y H H 121.13 3.11 16.18 19.72 92.18 49.76 -64.67 -41.38 0.15 0.00 99.85 0.01 0.01 0.11 99.84 0.03 0.00 0.00 0.00 39 Q H H 96.23 2.60 16.55 19.28 92.00 50.66 -64.09 -41.29 0.35 0.00 99.65 0.03 0.01 0.27 99.61 0.08 0.00 0.00 0.00 40 Y H H 106.56 4.59 15.61 21.27 92.36 49.55 -64.92 -41.62 0.68 0.00 99.31 0.06 0.04 0.53 99.13 0.24 0.00 0.00 0.00 41 L H H 73.45 5.56 14.73 21.67 92.42 50.69 -64.79 -40.58 0.97 0.00 99.03 0.09 0.06 0.73 98.31 0.81 0.00 0.00 0.00 42 L H H 92.20 2.81 15.98 19.05 92.69 50.18 -65.89 -40.23 2.52 0.01 97.47 0.19 0.14 2.05 95.67 1.95 0.00 0.00 0.00 43 V H H 84.80 2.82 15.49 18.63 93.98 47.05 -69.21 -38.17 7.39 0.02 92.59 0.39 0.44 6.50 90.55 2.07 0.02 0.01 0.01 44 T H H 61.51 5.67 13.15 20.23 94.98 49.13 -72.61 -33.91 23.31 0.29 76.40 3.18 3.15 17.36 71.00 4.90 0.11 0.12 0.17 45 A H H 60.00 4.21 13.09 18.65 93.93 63.34 -64.46 -29.13 33.24 1.47 65.29 9.58 4.84 17.61 40.22 26.14 0.16 0.87 0.57 46 L H G 101.32 2.98 13.34 17.22 93.65 62.11 -69.28 -28.96 33.12 3.12 63.76 9.01 4.86 17.86 31.92 33.15 0.14 2.30 0.74 47 Y H G 129.60 4.80 11.61 17.79 97.19 56.04 -76.56 -21.99 32.85 5.55 61.61 11.19 5.97 15.26 27.70 34.59 0.17 3.98 1.14 48 M C T 115.49 3.91 11.09 16.49 98.51 66.56 -77.15 -18.48 52.79 4.81 42.40 17.07 11.06 24.76 19.64 22.27 0.25 3.35 1.59 49 L C C 113.39 3.19 11.01 15.45 103.79 63.42 -87.47 33.82 67.17 4.12 28.72 27.58 16.51 24.52 13.07 14.04 0.12 2.40 1.76 50 E C C 98.03 4.36 10.47 16.70 112.81 121.12 -88.34 124.62 93.30 1.92 4.78 58.89 31.69 2.64 4.01 0.96 0.00 1.03 0.76 51 P C H 89.60 3.32 10.78 15.69 96.53 -133.32 -61.47 -32.43 52.93 0.58 46.50 31.70 9.12 11.03 45.12 2.53 0.00 0.24 0.26 52 W H H 177.27 1.37 12.48 13.79 92.77 56.34 -65.49 -38.17 17.10 0.15 82.76 6.55 2.81 7.91 79.96 2.62 0.01 0.06 0.08 53 E H H 97.27 3.28 12.63 17.16 92.91 52.34 -66.66 -38.73 6.97 0.07 92.96 2.95 0.96 3.12 90.49 2.41 0.00 0.03 0.03 54 R H H 106.02 5.84 12.13 19.62 92.31 52.11 -65.56 -39.89 2.60 0.03 97.38 1.13 0.38 1.17 95.59 1.71 0.00 0.01 0.01 55 T H H 75.30 2.60 14.72 17.88 92.03 50.31 -64.60 -41.19 1.91 0.02 98.06 0.75 0.25 0.94 96.84 1.20 0.00 0.01 0.01 56 V H H 88.42 1.69 16.18 17.17 92.11 49.42 -64.96 -41.71 1.95 0.03 98.02 0.62 0.21 1.09 97.19 0.85 0.00 0.01 0.01 57 F H H 98.89 3.78 15.07 19.84 92.22 49.37 -64.51 -42.14 1.19 0.01 98.80 0.37 0.12 0.62 98.57 0.31 0.00 0.00 0.00 58 N H H 72.19 4.84 14.80 21.04 91.96 50.40 -64.02 -40.90 0.92 0.00 99.07 0.26 0.08 0.48 98.99 0.19 0.00 0.00 0.00 59 S H H 58.83 2.51 15.89 18.68 91.80 50.63 -64.09 -41.14 0.62 0.00 99.37 0.13 0.04 0.37 99.31 0.15 0.00 0.00 0.00 60 M H H 102.11 2.58 16.32 18.90 92.31 50.13 -65.40 -41.27 0.40 0.00 99.60 0.06 0.03 0.24 99.58 0.09 0.00 0.00 0.00 61 L H H 83.91 3.73 15.64 20.13 92.26 50.01 -64.88 -41.62 0.27 0.00 99.72 0.04 0.01 0.16 99.73 0.05 0.00 0.00 0.00 62 V H H 82.50 2.49 16.23 18.82 92.03 49.42 -64.42 -41.87 0.14 0.00 99.86 0.02 0.01 0.08 99.86 0.03 0.00 0.00 0.00 63 S H H 57.42 2.90 15.60 18.99 92.03 50.38 -64.75 -41.73 0.14 0.00 99.86 0.02 0.00 0.09 99.86 0.03 0.00 0.00 0.00 64 I H H 92.35 3.16 16.26 19.60 92.22 49.27 -65.11 -41.80 0.13 0.00 99.87 0.01 0.00 0.09 99.87 0.03 0.00 0.00 0.00 65 V H H 83.39 2.39 17.07 19.21 92.14 49.09 -64.23 -42.03 0.13 0.00 99.87 0.01 0.01 0.08 99.87 0.03 0.00 0.00 0.00 66 G H H 33.72 3.11 15.79 19.66 91.72 50.68 -63.48 -41.97 0.19 0.00 99.81 0.02 0.01 0.12 99.82 0.03 0.00 0.00 0.00 67 M H H 92.54 4.02 15.76 20.31 91.99 50.23 -64.91 -40.93 0.16 0.00 99.84 0.01 0.00 0.10 99.84 0.04 0.00 0.00 0.00 68 A H H 58.14 3.30 16.04 19.85 91.88 50.67 -63.78 -41.64 0.17 0.00 99.83 0.01 0.01 0.11 99.81 0.06 0.00 0.00 0.00 69 L H H 97.00 1.98 17.21 18.58 91.99 49.36 -65.01 -41.51 0.36 0.00 99.64 0.02 0.01 0.27 99.58 0.12 0.00 0.00 0.00 70 Y H H 117.26 3.31 16.14 19.85 92.17 49.00 -65.15 -41.73 0.70 0.00 99.30 0.05 0.03 0.51 99.18 0.22 0.00 0.00 0.00 71 T H H 59.63 5.16 14.65 20.92 92.22 50.18 -64.69 -40.82 1.10 0.00 98.90 0.09 0.06 0.82 98.61 0.41 0.00 0.00 0.00 72 G H H 37.52 3.22 15.06 19.14 92.20 51.64 -64.78 -39.49 1.58 0.00 98.42 0.08 0.07 1.32 97.34 1.19 0.00 0.00 0.00 73 Y H H 142.20 1.95 15.77 17.51 93.23 48.57 -68.64 -38.76 3.73 0.00 96.26 0.09 0.13 3.62 94.45 1.71 0.00 0.00 0.00 74 V H H 81.95 3.91 14.60 19.22 94.76 47.19 -72.16 -37.55 14.20 0.01 85.79 0.23 0.53 13.96 83.79 1.46 0.02 0.00 0.01 75 F H H 106.43 4.42 13.87 19.35 95.71 45.77 -76.95 -27.70 23.08 0.07 76.85 1.27 2.55 19.40 75.13 1.52 0.06 0.02 0.07 76 M H H 96.86 3.01 14.35 18.32 92.62 61.87 -63.02 -42.51 7.94 0.03 92.04 2.94 1.53 3.40 90.69 1.41 0.00 0.01 0.02 77 P H H 73.32 2.60 14.80 18.00 91.96 50.73 -64.76 -39.95 4.46 0.02 95.52 1.91 0.41 1.90 94.49 1.27 0.00 0.01 0.01 78 Q H H 99.15 3.08 14.83 18.47 92.35 51.09 -65.54 -40.33 1.10 0.01 98.90 0.33 0.10 0.57 98.06 0.93 0.00 0.00 0.00 79 H H H 107.87 2.87 14.82 18.28 92.31 50.13 -64.76 -40.98 0.80 0.01 99.19 0.23 0.07 0.43 98.77 0.49 0.00 0.01 0.00 80 I H H 97.15 2.01 15.16 17.18 91.96 49.53 -64.62 -41.39 0.59 0.00 99.40 0.13 0.04 0.35 99.22 0.25 0.00 0.00 0.00 81 M H H 99.43 2.41 14.74 17.57 92.08 50.41 -64.49 -40.73 0.47 0.00 99.52 0.08 0.03 0.29 99.36 0.23 0.00 0.00 0.00 82 A H H 51.97 3.05 13.84 17.98 91.66 51.07 -63.97 -41.00 0.68 0.00 99.32 0.08 0.03 0.47 98.98 0.43 0.00 0.00 0.00 83 I H H 94.79 1.95 14.44 16.45 91.98 49.75 -64.45 -41.10 1.07 0.00 98.92 0.11 0.05 0.79 98.28 0.76 0.00 0.00 0.00 84 L H H 92.18 1.91 13.50 15.69 91.80 50.70 -64.75 -40.70 1.55 0.01 98.45 0.18 0.10 1.11 96.88 1.72 0.00 0.00 0.00 85 H H H 113.14 1.91 12.84 15.16 92.51 50.63 -65.11 -40.07 4.92 0.02 95.06 0.48 0.32 3.82 91.85 3.50 0.01 0.01 0.01 86 Y H H 136.75 1.83 11.79 14.10 92.67 49.84 -66.48 -39.43 8.15 0.05 91.81 0.97 0.61 6.17 88.12 4.07 0.01 0.03 0.02 87 F H H 132.14 1.58 10.46 12.65 94.00 50.24 -69.11 -34.14 12.38 0.28 87.34 3.99 1.79 6.84 81.86 5.21 0.02 0.17 0.10 88 E H H 127.13 1.70 9.58 12.19 94.34 57.31 -69.16 -32.90 24.10 0.88 75.02 7.62 3.39 13.65 67.48 6.94 0.06 0.57 0.30 89 I H H 130.80 1.12 8.47 10.20 96.21 55.79 -74.23 -25.47 38.55 1.11 60.34 12.10 4.45 22.47 54.13 5.69 0.06 0.66 0.44 90 V C H 117.40 1.30 7.25 9.57 101.11 55.92 -84.66 -5.40 55.83 0.79 43.38 34.93 1.62 18.59 41.47 2.58 0.00 0.38 0.43 91 Q C C 133.29 2.15 9.59 13.21 105.64 80.13 -82.88 63.14 99.95 0.03 0.02 99.90 0.04 0.03 0.01 0.00 0.00 0.02 0.00