# 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 104.19 7.36 11.28 20.00 117.44 -164.25 -99.40 131.78 99.84 0.12 0.03 99.78 0.09 0.04 0.02 0.00 0.00 0.06 0.02 1 E C C 141.07 2.37 11.23 15.13 114.29 -143.21 -90.70 126.59 83.96 7.80 8.24 81.03 1.33 2.96 4.67 2.38 0.00 5.38 2.25 2 V C C 87.53 7.29 7.53 16.11 115.01 -157.59 -95.40 127.67 73.60 11.57 14.83 57.98 7.98 7.81 6.24 8.18 0.01 9.29 2.51 3 K C C 142.20 2.62 11.22 15.39 113.47 -154.90 -95.60 126.43 70.81 13.17 16.03 48.83 12.13 10.50 6.59 9.01 0.02 10.35 2.58 4 Y C C 136.26 6.65 8.83 16.97 115.35 -153.66 -95.02 128.33 75.44 11.87 12.69 52.00 14.38 9.26 5.69 6.98 0.02 8.44 3.23 5 R C C 157.08 3.34 11.42 16.46 112.60 -161.31 -98.93 119.06 89.95 6.63 3.42 64.06 22.56 3.35 2.26 1.25 0.00 3.97 2.55 6 G C C 36.01 5.88 10.85 18.28 124.38 -119.50 -88.72 171.38 96.39 1.04 2.57 75.05 17.53 3.80 1.72 0.87 0.00 0.54 0.48 7 P C C 94.77 3.81 11.37 16.68 105.36 -78.15 -69.25 142.35 76.00 0.92 23.08 41.80 11.19 23.10 13.39 9.52 0.00 0.44 0.55 8 S C C 75.09 3.63 10.77 15.87 106.51 -36.86 -83.07 80.76 64.88 1.26 33.86 28.60 14.38 22.99 21.12 11.52 0.03 0.52 0.83 9 D C H 98.19 3.60 12.59 17.39 100.91 70.05 -78.95 -2.42 55.90 1.17 42.93 30.96 13.52 12.44 32.43 9.47 0.02 0.48 0.68 10 D H H 72.71 7.64 11.97 20.77 99.62 85.56 -78.92 -12.02 41.68 0.70 57.62 28.30 7.71 6.42 53.78 3.18 0.00 0.28 0.33 11 K H H 115.20 5.26 14.15 20.70 93.97 70.64 -65.65 -39.19 7.92 0.12 91.96 4.13 1.62 2.69 90.20 1.25 0.01 0.06 0.04 12 L H H 95.73 2.37 16.87 19.01 93.01 51.34 -66.46 -40.44 3.03 0.05 96.92 1.35 0.49 1.31 95.88 0.91 0.00 0.03 0.01 13 E H H 83.20 5.50 16.76 23.33 92.90 50.84 -66.14 -40.61 1.63 0.03 98.34 0.69 0.22 0.74 97.68 0.65 0.00 0.02 0.01 14 C H H 30.75 11.03 14.33 26.86 92.67 51.19 -64.77 -41.90 0.99 0.01 99.00 0.37 0.12 0.46 98.74 0.31 0.00 0.00 0.00 15 E H H 99.15 4.09 19.23 23.75 92.14 51.16 -64.37 -41.14 0.52 0.00 99.48 0.16 0.05 0.27 99.38 0.14 0.00 0.00 0.00 16 F H H 105.18 3.05 19.42 22.25 92.15 50.34 -64.54 -41.89 0.40 0.00 99.60 0.10 0.04 0.22 99.54 0.10 0.00 0.00 0.00 17 L H H 54.22 9.47 17.47 28.05 92.22 49.94 -64.99 -41.67 0.39 0.00 99.61 0.09 0.03 0.22 99.58 0.08 0.00 0.00 0.00 18 E H H 65.55 11.10 17.57 29.22 91.94 51.32 -63.93 -41.74 0.47 0.00 99.52 0.08 0.04 0.30 99.52 0.06 0.00 0.00 0.00 19 N H H 92.21 2.92 20.83 23.43 92.16 49.88 -65.06 -40.81 0.75 0.00 99.24 0.10 0.05 0.51 99.27 0.06 0.00 0.00 0.00 20 N H H 75.97 4.67 20.04 24.92 92.44 49.38 -65.90 -40.90 1.09 0.00 98.91 0.16 0.08 0.74 98.94 0.08 0.00 0.00 0.00 21 L H H 44.60 12.61 17.67 30.83 92.29 50.27 -64.53 -42.37 0.55 0.00 99.45 0.09 0.04 0.35 99.44 0.07 0.00 0.00 0.00 22 L H H 60.12 9.03 18.58 28.55 92.00 49.82 -64.18 -41.60 0.37 0.00 99.63 0.06 0.03 0.23 99.62 0.06 0.00 0.00 0.00 23 S H H 55.06 2.78 20.80 22.92 91.55 50.25 -64.13 -41.56 0.82 0.00 99.17 0.11 0.06 0.54 99.17 0.12 0.00 0.00 0.00 24 C H H 44.28 6.69 18.08 26.10 92.09 50.19 -64.52 -42.08 1.50 0.01 98.49 0.20 0.12 1.02 98.44 0.22 0.00 0.00 0.00 25 L H H 43.27 12.27 15.49 28.66 92.35 49.93 -64.95 -40.70 1.98 0.02 98.00 0.43 0.22 1.23 97.68 0.43 0.00 0.01 0.00 26 R H H 129.75 5.08 17.56 23.60 92.21 51.15 -65.11 -38.77 4.07 0.04 95.89 0.75 0.40 2.82 95.13 0.86 0.01 0.02 0.01 27 E H H 120.81 2.40 17.85 19.92 93.42 50.50 -68.43 -36.31 9.87 0.08 90.06 1.48 1.03 7.33 88.65 1.43 0.03 0.03 0.04 28 K H H 104.34 6.41 16.09 23.22 96.96 49.44 -77.23 -28.90 24.17 0.45 75.39 5.72 3.80 15.38 72.20 2.40 0.08 0.19 0.22 29 S H H 41.88 10.33 13.16 24.39 101.27 66.04 -79.34 -18.87 41.29 2.27 56.44 18.50 6.19 17.69 51.59 3.84 0.08 1.33 0.79 30 V H H 77.35 6.95 13.09 21.26 103.35 70.69 -81.18 -7.42 45.44 5.51 49.05 24.40 8.13 14.37 43.31 4.54 0.12 3.63 1.48 31 Q C H 121.88 3.16 13.41 17.63 101.80 69.05 -80.38 2.40 50.96 4.79 44.25 27.26 9.61 14.94 39.08 4.60 0.12 3.07 1.32 32 D C C 80.53 5.82 11.13 18.46 106.63 77.97 -85.06 86.83 61.99 1.92 36.09 36.65 11.08 14.13 32.10 4.28 0.02 1.02 0.71 33 N C H 111.21 3.63 11.37 16.55 99.15 -152.89 -75.67 -10.03 57.28 1.09 41.63 24.59 13.03 20.64 34.99 5.68 0.04 0.52 0.51 34 V C H 97.21 3.65 11.65 16.63 100.50 68.04 -82.55 -13.69 50.43 1.63 47.94 19.85 13.28 19.12 38.00 8.08 0.10 0.81 0.76 35 A C H 62.51 5.65 11.27 18.44 101.24 66.12 -77.33 -11.15 49.71 2.32 47.97 23.68 11.04 16.22 35.20 11.59 0.07 1.24 0.95 36 K C H 130.11 4.38 13.17 18.80 102.85 64.11 -82.65 17.16 55.49 2.78 41.73 29.23 9.21 17.61 29.74 11.47 0.04 1.56 1.14 37 M C C 101.61 7.88 12.68 21.57 105.27 108.81 -87.88 51.81 61.80 4.50 33.70 33.68 12.00 16.67 23.61 9.70 0.06 2.59 1.69 38 T C C 76.56 6.51 16.13 23.60 110.82 90.05 -95.45 108.40 70.69 8.51 20.80 41.99 14.31 14.61 15.47 5.41 0.07 4.92 3.23 39 C C C 39.08 15.46 12.75 28.09 112.93 -146.00 -91.52 124.86 80.09 8.01 11.90 53.75 16.81 9.35 8.51 3.36 0.01 4.03 4.18 40 R C C 111.42 6.44 20.48 27.15 115.96 -161.29 -93.22 136.63 91.66 1.40 6.94 81.68 8.06 1.22 7.34 0.52 0.00 0.62 0.57 41 P H H 49.74 15.15 14.59 29.61 93.37 -122.06 -59.26 -37.50 12.32 0.21 87.47 4.61 1.69 6.01 76.74 10.71 0.02 0.15 0.07 42 E H H 109.47 4.72 19.48 24.86 92.05 55.33 -64.74 -37.21 7.44 0.17 92.39 1.95 0.88 4.32 80.11 12.56 0.02 0.13 0.04 43 F H H 68.71 9.98 18.63 29.46 92.38 51.14 -66.87 -39.26 4.34 0.21 95.45 1.55 0.58 2.05 81.49 14.11 0.01 0.18 0.03 44 L H H 21.05 18.99 16.76 35.63 91.97 52.21 -64.20 -42.50 4.25 0.53 95.23 2.18 0.65 1.74 89.47 5.39 0.01 0.50 0.07 45 V H H 50.21 10.71 19.23 30.48 91.48 51.31 -63.78 -41.66 3.95 0.70 95.35 1.70 0.54 1.89 90.64 4.42 0.02 0.71 0.08 46 W H H 114.45 4.94 21.02 26.33 91.75 50.85 -64.63 -41.53 3.67 0.37 95.95 1.16 0.44 2.13 89.72 6.11 0.02 0.38 0.05 47 F H H 42.20 14.01 17.73 32.32 91.99 50.39 -65.11 -41.06 4.17 0.19 95.64 0.98 0.45 2.73 88.81 6.80 0.02 0.17 0.03 48 F H H 47.27 16.78 16.45 32.96 92.65 50.11 -68.01 -35.71 7.67 0.16 92.17 1.23 0.76 5.59 84.58 7.63 0.05 0.12 0.04 49 L H H 88.40 6.92 18.40 25.93 93.48 52.41 -71.61 -29.19 22.34 0.25 77.41 2.74 2.38 17.19 71.67 5.67 0.10 0.13 0.13 50 E H H 115.00 4.49 18.83 23.71 98.05 46.66 -92.23 -6.99 44.94 0.54 54.51 7.67 6.79 31.18 49.98 3.70 0.11 0.21 0.35 51 C C S 25.70 18.57 9.70 27.52 115.44 103.02 -83.62 135.91 95.99 0.81 3.20 44.08 49.54 2.34 2.72 0.50 0.00 0.22 0.60 52 P C C 59.23 7.20 14.97 23.79 110.89 -109.70 -66.27 146.01 85.64 1.25 13.12 73.74 5.06 6.99 7.28 5.50 0.00 0.57 0.87 53 T C T 94.86 5.32 14.01 20.77 98.54 -129.15 -71.53 -24.91 61.77 1.64 36.59 18.19 15.56 28.88 12.72 22.76 0.05 0.76 1.08 54 K C T 136.20 3.51 14.82 19.48 97.95 62.65 -80.20 -10.20 59.43 1.92 38.65 16.61 14.18 29.84 13.00 24.20 0.09 0.95 1.14 55 A C C 49.69 11.09 11.45 23.02 103.22 65.74 -85.61 15.84 60.24 2.55 37.22 32.89 13.93 13.95 11.11 25.62 0.02 1.24 1.24 56 A C C 54.98 8.30 14.59 23.96 107.21 111.00 -83.95 110.53 78.51 3.83 17.65 45.43 24.89 8.87 6.22 10.84 0.01 1.98 1.77 57 V C C 87.58 6.51 16.58 23.99 108.74 65.49 -85.72 109.90 79.75 5.71 14.54 55.97 14.18 9.65 4.59 9.95 0.01 3.38 2.27 58 Y C C 57.88 15.90 9.79 25.30 114.99 -146.69 -98.80 124.34 88.25 5.78 5.98 79.42 5.37 3.37 2.46 3.39 0.00 2.98 3.02 59 H C C 144.58 2.51 17.02 20.11 100.16 168.97 -98.39 -16.03 95.50 1.28 3.23 55.47 36.34 3.97 1.54 1.47 0.00 0.55 0.67 60 D C S 73.53 3.89 18.28 22.65 124.27 36.78 -125.57 146.44 98.45 0.70 0.85 29.14 68.87 0.51 0.75 0.10 0.00 0.17 0.46 61 P H H 62.15 12.59 12.09 25.25 92.65 -125.38 -60.71 -33.88 8.98 0.04 90.98 1.67 1.29 6.06 87.91 3.02 0.01 0.02 0.02 62 K H H 135.45 2.23 18.29 20.46 92.25 55.46 -65.40 -37.87 6.48 0.02 93.50 0.73 0.54 5.14 90.15 3.40 0.01 0.01 0.01 63 G H H 20.72 5.83 16.77 24.51 91.84 51.44 -64.36 -40.67 4.66 0.04 95.30 1.10 0.54 2.98 90.78 4.55 0.01 0.02 0.02 64 L H H 27.39 16.10 14.65 31.19 92.36 51.55 -64.70 -42.66 1.27 0.01 98.73 0.47 0.15 0.60 97.78 0.97 0.00 0.00 0.00 65 R H H 102.61 9.25 19.23 28.88 91.86 51.94 -63.26 -41.47 0.43 0.00 99.57 0.11 0.03 0.22 99.47 0.17 0.00 0.00 0.00 66 N H H 81.94 3.50 21.46 24.59 92.00 50.31 -65.33 -40.85 0.35 0.00 99.65 0.07 0.02 0.21 99.58 0.13 0.00 0.00 0.00 67 I H H 49.89 8.99 19.17 29.30 92.04 50.35 -64.60 -42.95 0.25 0.00 99.75 0.04 0.01 0.16 99.72 0.07 0.00 0.00 0.00 68 F H H 53.34 12.51 18.11 31.19 92.08 49.15 -64.49 -42.70 0.31 0.00 99.69 0.05 0.02 0.20 99.69 0.05 0.00 0.00 0.00 69 I H H 65.94 6.97 18.90 26.84 91.99 49.58 -64.15 -42.18 0.23 0.00 99.77 0.03 0.01 0.13 99.77 0.04 0.00 0.00 0.00 70 Q H H 92.49 3.72 19.79 23.61 92.07 49.96 -64.86 -41.20 0.27 0.00 99.73 0.03 0.01 0.18 99.72 0.06 0.00 0.00 0.00 71 D H H 49.50 7.27 17.06 25.81 92.50 49.57 -65.56 -40.62 0.78 0.00 99.22 0.09 0.05 0.54 99.19 0.13 0.00 0.00 0.00 72 K H H 78.37 7.78 16.15 25.06 92.49 51.23 -65.13 -40.64 2.39 0.01 97.60 0.29 0.18 1.78 97.38 0.35 0.00 0.00 0.00 73 I H H 77.12 4.96 14.91 21.18 92.70 50.10 -65.86 -40.36 4.75 0.05 95.19 0.95 0.53 3.20 94.04 1.22 0.01 0.03 0.02 74 K H H 128.35 2.58 15.10 18.28 93.23 51.05 -67.23 -36.25 10.56 0.11 89.33 1.96 1.11 7.34 86.96 2.50 0.03 0.06 0.04 75 Q H H 108.51 4.56 13.02 18.68 95.09 52.78 -73.43 -24.68 23.84 0.22 75.93 3.71 2.57 17.52 73.26 2.69 0.05 0.10 0.11 76 K C T 124.18 4.51 11.83 17.70 99.68 58.88 -81.90 -6.26 56.53 0.57 42.91 6.59 7.98 40.87 40.82 3.08 0.08 0.23 0.36 77 G C T 54.11 2.77 12.92 16.87 102.08 -106.55 73.11 14.35 83.76 0.84 15.41 23.03 13.04 47.72 12.73 2.68 0.01 0.36 0.43 78 S C C 64.79 6.18 9.98 17.74 109.53 135.89 -87.82 104.24 83.34 2.09 14.56 58.64 11.71 12.44 9.89 5.07 0.00 1.05 1.20 79 D C C 108.16 3.31 11.40 16.29 104.11 124.00 -90.91 30.07 79.28 3.22 17.49 47.21 17.22 14.83 10.91 6.57 0.01 1.54 1.71 80 D C C 100.57 3.78 11.82 17.11 105.93 126.45 -87.18 50.58 74.89 2.38 22.73 31.26 19.80 24.81 13.18 8.59 0.03 1.13 1.20 81 G C C 43.40 5.58 12.38 19.42 109.24 -83.98 86.84 8.27 74.62 2.88 22.49 36.83 16.50 22.18 13.21 8.47 0.02 1.49 1.30 82 V C C 84.04 6.69 11.49 19.67 112.92 149.66 -92.64 126.60 61.50 7.39 31.11 38.41 12.33 11.30 20.55 10.21 0.06 4.51 2.62 83 L C C 97.59 6.19 10.78 18.58 112.18 -143.19 -87.39 129.08 61.50 8.83 29.66 38.75 11.07 11.83 19.18 10.51 0.06 5.78 2.82 84 S C C 69.96 4.81 9.90 16.39 112.95 -148.99 -91.46 133.95 67.11 7.54 25.36 44.74 10.90 11.38 15.65 9.89 0.03 5.04 2.37 85 K C C 149.50 2.80 8.92 13.45 105.74 -145.52 -84.25 32.94 74.33 5.81 19.86 43.67 15.14 16.11 11.59 7.87 0.02 3.60 2.02 86 D C C 111.39 2.25 8.41 12.28 106.93 129.94 -87.23 84.26 88.83 2.16 9.01 73.27 2.73 13.87 4.87 2.97 0.00 1.38 0.90 87 D C C 111.49 2.66 10.40 14.64 104.60 -153.45 -86.60 51.97 99.91 0.06 0.04 99.71 0.13 0.11 0.02 0.00 0.00 0.03 0.01