# 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 98.53 8.41 11.53 21.01 116.37 -155.52 -94.45 134.38 99.92 0.07 0.01 99.88 0.06 0.02 0.00 0.00 0.00 0.03 0.01 1 N C C 103.43 3.45 11.21 16.13 109.86 -141.78 -90.26 116.88 83.48 4.36 12.16 79.78 1.14 3.59 9.01 2.10 0.00 1.83 2.55 2 A H H 70.46 5.23 9.01 15.78 98.08 -157.39 -72.73 -23.32 46.57 2.62 50.81 26.61 7.97 12.15 32.71 17.99 0.04 1.53 1.00 3 D H H 100.28 2.81 10.69 15.02 97.03 63.96 -72.06 -28.80 37.22 2.49 60.28 19.59 6.37 10.91 36.89 23.88 0.04 1.60 0.71 4 L H H 102.13 3.33 10.99 15.75 96.83 57.83 -73.03 -29.63 29.38 3.22 67.40 15.08 5.20 8.94 41.84 25.93 0.08 2.24 0.70 5 L H H 96.61 5.00 10.90 17.39 96.19 59.74 -71.96 -31.60 31.48 5.78 62.74 17.02 5.69 9.35 42.99 19.40 0.15 4.24 1.17 6 I H H 102.84 5.19 10.96 17.63 96.97 54.87 -76.56 -23.47 42.63 8.48 48.89 24.78 7.67 11.02 35.97 12.37 0.13 6.15 1.91 7 A C C 73.35 3.66 11.18 16.43 98.58 68.59 -75.13 -16.52 59.82 7.13 33.05 35.80 10.01 13.87 25.55 7.92 0.08 4.94 1.83 8 L C C 119.66 2.74 11.68 15.71 100.61 63.20 -85.17 -4.99 74.00 7.16 18.84 46.13 15.26 12.27 14.01 5.51 0.05 4.53 2.25 9 V C C 81.10 7.01 9.40 18.06 115.18 90.79 -95.13 127.70 94.04 4.94 1.02 62.79 30.54 1.24 0.69 0.36 0.00 3.07 1.32 10 P C C 86.05 4.61 11.72 18.08 111.84 -111.99 -68.55 146.69 95.32 3.23 1.45 85.91 6.97 2.54 0.65 0.68 0.00 2.39 0.86 11 Q C C 132.33 3.48 11.25 16.55 109.64 -132.09 -90.22 119.41 92.48 5.14 2.38 72.42 16.11 3.61 1.05 1.33 0.00 2.66 2.82 12 T C C 88.74 4.96 10.44 17.19 115.94 -161.88 -100.26 135.22 92.08 4.11 3.81 70.69 17.00 4.24 1.47 2.30 0.00 2.33 1.96 13 V C C 94.84 5.46 11.61 18.63 114.31 -148.71 -91.79 131.94 91.64 2.38 5.97 57.01 25.65 9.25 2.02 3.78 0.00 1.30 0.99 14 A C C 81.11 2.99 14.60 18.87 113.68 -123.11 -87.36 133.61 92.30 1.97 5.73 68.28 15.66 8.45 2.39 3.20 0.00 1.08 0.95 15 W C C 90.80 15.50 8.37 22.90 114.59 -143.48 -90.92 132.63 90.79 2.36 6.85 76.19 11.26 2.83 5.52 1.47 0.00 0.89 1.85 16 S C C 56.29 3.35 16.79 20.47 123.46 -150.62 -93.23 165.78 91.18 0.66 8.16 84.44 4.89 1.32 8.28 0.44 0.00 0.21 0.42 17 A H H 81.36 3.44 13.36 18.32 92.28 -99.23 -59.73 -35.83 8.71 0.04 91.25 1.84 1.67 5.12 90.58 0.75 0.01 0.01 0.02 18 K H H 141.60 1.65 17.60 18.64 92.19 52.53 -65.54 -39.31 5.46 0.04 94.50 1.09 0.72 3.53 94.02 0.60 0.01 0.01 0.02 19 T H H 33.76 11.84 15.25 28.19 92.19 49.07 -66.50 -41.23 1.62 0.01 98.37 0.53 0.20 0.79 98.19 0.28 0.00 0.00 0.00 20 G H H 14.01 14.56 14.76 30.05 91.63 52.96 -62.64 -42.25 0.42 0.00 99.58 0.15 0.03 0.17 99.58 0.08 0.00 0.00 0.00 21 A H H 60.92 2.93 21.62 23.82 91.65 50.20 -64.10 -41.34 0.14 0.00 99.86 0.04 0.01 0.06 99.86 0.03 0.00 0.00 0.00 22 V H H 70.02 4.80 21.48 26.50 91.75 49.32 -64.64 -42.57 0.06 0.00 99.94 0.01 0.00 0.03 99.95 0.01 0.00 0.00 0.00 23 M H H 25.60 19.12 16.94 35.83 91.74 49.78 -64.50 -42.32 0.05 0.00 99.95 0.01 0.00 0.02 99.96 0.00 0.00 0.00 0.00 24 V H H 58.62 10.86 20.49 31.60 91.72 50.14 -63.38 -42.18 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 25 L H H 99.60 1.89 24.75 24.54 91.35 48.92 -64.37 -42.09 0.11 0.00 99.89 0.01 0.00 0.08 99.91 0.01 0.00 0.00 0.00 26 S H H 28.75 10.17 20.04 31.27 91.72 49.52 -64.92 -41.68 0.19 0.00 99.81 0.02 0.01 0.12 99.85 0.01 0.00 0.00 0.00 27 N H H 19.72 19.85 17.08 36.61 91.74 51.28 -64.41 -41.85 0.32 0.00 99.68 0.02 0.01 0.22 99.73 0.02 0.00 0.00 0.00 28 I H H 87.50 5.51 22.71 28.41 91.38 50.44 -63.78 -41.76 0.22 0.00 99.78 0.01 0.01 0.15 99.81 0.02 0.00 0.00 0.00 29 L H H 94.74 2.37 24.16 25.03 91.28 49.18 -64.35 -42.55 0.21 0.00 99.79 0.02 0.01 0.13 99.81 0.03 0.00 0.00 0.00 30 C H H 23.47 14.15 18.01 32.94 91.59 49.91 -64.48 -42.29 0.35 0.00 99.65 0.05 0.02 0.22 99.63 0.08 0.00 0.00 0.00 31 I H H 46.15 14.97 18.31 33.11 91.43 50.42 -63.40 -42.43 0.39 0.00 99.61 0.04 0.02 0.28 99.52 0.14 0.00 0.00 0.00 32 V H H 83.87 2.59 22.84 24.35 91.44 49.74 -63.41 -42.29 0.79 0.01 99.20 0.07 0.04 0.61 99.03 0.25 0.00 0.00 0.00 33 A H H 52.41 4.06 21.11 25.20 91.68 48.75 -64.74 -41.51 1.65 0.01 98.34 0.13 0.10 1.29 97.85 0.63 0.00 0.00 0.00 34 G H H 8.83 16.74 14.23 31.66 91.84 52.58 -64.50 -40.36 4.45 0.02 95.53 0.47 0.33 3.45 92.89 2.83 0.01 0.01 0.01 35 R H H 104.64 10.35 17.51 28.19 91.88 53.66 -64.66 -37.00 9.40 0.05 90.55 0.68 0.61 8.07 86.02 4.54 0.03 0.02 0.02 36 Y H H 153.38 1.78 19.91 20.47 93.58 50.52 -70.67 -30.71 16.82 0.14 83.04 1.74 1.64 13.50 78.24 4.65 0.08 0.07 0.08 37 V H H 69.10 7.02 16.33 24.38 95.38 49.00 -80.44 -27.00 33.39 1.28 65.32 7.49 5.87 21.83 58.97 4.30 0.28 0.64 0.62 38 I C C 42.86 16.99 10.15 26.28 106.01 73.62 -83.52 91.33 55.81 10.57 33.62 34.32 9.41 12.45 29.39 4.11 0.18 6.42 3.71 39 Q C C 121.80 3.63 15.75 20.50 96.86 138.20 -77.31 -27.11 68.36 9.46 22.18 40.44 14.41 12.98 19.47 3.71 0.15 5.71 3.13 40 V C C 93.68 3.59 14.11 18.81 111.18 47.58 -106.49 99.27 80.19 7.58 12.24 45.89 24.67 9.72 9.27 3.21 0.07 3.94 3.22 41 K C T 125.22 6.86 11.40 20.10 111.50 -140.41 -71.20 134.68 89.09 3.16 7.75 24.08 11.21 54.48 2.77 4.27 0.01 1.93 1.26 42 G C T 57.91 2.47 14.06 17.55 98.79 20.48 83.34 -0.92 93.72 1.42 4.87 20.07 16.37 57.37 0.98 3.78 0.00 0.83 0.61 43 T C C 88.25 4.29 12.54 18.35 107.15 105.43 -96.22 18.95 90.97 3.59 5.44 47.93 32.17 10.69 1.36 3.92 0.00 1.44 2.48 44 G C C 34.19 6.48 13.27 21.16 131.36 -59.46 126.31 -175.74 95.95 3.16 0.89 51.63 40.18 4.35 0.19 0.71 0.00 1.53 1.41 45 P C C 86.52 5.80 13.62 20.79 111.09 -48.29 -70.46 141.44 96.76 2.09 1.15 62.93 26.20 7.61 0.21 1.04 0.00 1.11 0.89 46 S C C 75.99 4.58 14.74 21.03 117.86 -138.70 -97.25 145.20 91.64 7.48 0.88 70.44 17.82 3.03 0.24 0.72 0.00 3.47 4.28 47 L C C 76.10 11.48 10.78 22.79 115.96 -110.50 -85.96 138.26 92.76 7.04 0.20 79.51 12.97 0.55 0.07 0.14 0.00 4.05 2.71 48 P C C 82.28 5.50 13.86 20.74 111.31 -109.29 -69.09 144.54 90.19 8.93 0.89 79.89 8.33 1.68 0.27 0.65 0.00 4.92 4.25 49 I C C 98.64 6.93 9.92 18.38 118.70 -145.57 -104.22 134.05 89.63 8.65 1.72 72.63 13.09 3.14 0.54 1.27 0.00 3.91 5.42 50 S C C 88.43 2.20 11.07 14.63 111.63 -124.13 -85.57 132.15 89.53 3.96 6.51 41.52 26.51 21.59 1.21 5.31 0.00 1.86 1.99 51 G C S 56.58 1.98 11.38 14.10 111.58 25.33 90.67 -103.57 86.63 1.99 11.38 28.56 30.18 27.99 1.75 9.38 0.00 0.85 1.29 52 S C T 88.60 2.37 11.11 14.28 101.12 10.64 -78.51 -13.96 78.80 2.44 18.76 24.66 24.21 30.44 2.75 15.35 0.01 1.11 1.48 53 F C T 123.24 6.24 9.87 17.36 105.95 45.73 -96.73 60.26 72.81 6.13 21.06 27.15 18.69 28.18 3.28 16.59 0.03 2.76 3.31 54 A C T 73.86 4.57 13.52 19.65 110.28 -150.25 -83.58 117.28 80.80 4.88 14.32 21.64 18.78 40.84 2.56 11.13 0.02 2.43 2.60 55 G C T 41.93 6.21 16.27 23.42 106.32 8.99 87.54 0.58 88.19 5.04 6.77 29.99 24.48 34.59 1.46 4.84 0.01 2.77 1.85 56 F C C 58.91 15.59 12.87 28.39 117.96 125.60 -97.17 135.24 81.95 16.39 1.66 68.93 10.24 1.49 1.05 0.62 0.00 5.17 12.51 57 G C C 22.31 8.81 20.32 29.68 126.51 -157.56 -98.69 169.99 88.39 7.92 3.69 77.72 8.56 0.88 4.03 0.30 0.00 1.66 6.86 58 L H H 70.28 13.57 17.88 31.26 92.65 -96.09 -60.68 -38.74 1.32 0.00 98.68 0.29 0.20 0.65 98.67 0.19 0.00 0.00 0.00 59 P H H 64.84 7.61 21.24 29.24 91.80 53.08 -63.98 -40.31 0.45 0.00 99.55 0.08 0.03 0.27 99.41 0.20 0.00 0.00 0.00 60 E H H 66.40 10.88 21.34 32.44 92.19 50.18 -65.36 -40.31 0.09 0.00 99.91 0.01 0.00 0.06 99.77 0.16 0.00 0.00 0.00 61 L H H 30.54 18.18 19.75 37.47 91.74 50.05 -63.69 -42.62 0.06 0.00 99.94 0.00 0.00 0.04 99.87 0.08 0.00 0.00 0.00 62 L H H 61.25 12.22 23.31 35.26 91.71 49.70 -63.61 -42.03 0.17 0.00 99.83 0.01 0.01 0.12 99.77 0.09 0.00 0.00 0.00 63 A H H 46.22 7.07 24.67 32.10 91.76 50.24 -64.68 -41.82 0.72 0.00 99.27 0.04 0.03 0.57 99.06 0.29 0.00 0.00 0.00 64 S H H 26.38 14.11 23.29 37.23 92.15 49.28 -66.01 -41.48 3.23 0.01 96.76 0.20 0.15 2.82 96.09 0.73 0.00 0.00 0.00 65 T H H 28.59 17.80 23.04 39.90 92.35 49.98 -65.82 -40.92 9.90 0.04 90.06 0.67 0.63 8.51 89.13 1.00 0.01 0.01 0.02 66 S H H 39.37 11.21 24.57 35.71 92.19 50.87 -64.98 -41.50 13.38 0.12 86.50 1.99 1.46 9.81 85.51 1.09 0.03 0.05 0.06 67 L H H 72.03 6.99 26.92 34.32 91.68 49.85 -64.53 -42.17 3.39 0.02 96.59 0.60 0.48 2.25 95.99 0.64 0.01 0.01 0.01 68 G H H 13.01 15.99 22.05 37.98 91.81 51.37 -63.75 -42.10 2.06 0.01 97.93 0.42 0.23 1.35 97.36 0.63 0.00 0.01 0.00 69 H H H 51.00 17.09 22.54 38.47 91.96 50.66 -64.11 -41.58 1.67 0.02 98.31 0.35 0.17 1.17 97.62 0.67 0.00 0.01 0.01 70 I H H 82.04 7.44 25.78 33.36 91.75 49.18 -64.39 -42.57 1.43 0.02 98.55 0.26 0.14 1.00 98.10 0.47 0.00 0.01 0.01 71 V H H 66.00 7.15 26.10 33.42 91.67 48.01 -64.49 -42.41 2.37 0.03 97.60 0.34 0.19 1.71 97.37 0.36 0.01 0.01 0.01 72 G H H 8.65 18.67 20.24 38.87 91.80 50.34 -64.72 -42.21 2.54 0.01 97.45 0.39 0.18 1.71 97.49 0.23 0.00 0.00 0.00 73 S H H 31.56 14.53 22.13 36.33 91.49 51.05 -62.96 -42.38 0.55 0.00 99.44 0.07 0.04 0.36 99.41 0.12 0.00 0.00 0.00 74 G H H 36.03 4.37 25.44 29.58 91.50 50.11 -63.57 -41.90 0.31 0.00 99.69 0.03 0.02 0.21 99.63 0.11 0.00 0.00 0.00 75 A H H 37.01 9.85 22.74 32.82 91.72 49.40 -64.70 -42.19 0.29 0.00 99.71 0.03 0.01 0.20 99.63 0.13 0.00 0.00 0.00 76 I H H 27.58 18.16 18.98 36.83 91.63 48.78 -63.51 -43.08 0.38 0.00 99.62 0.03 0.02 0.28 99.52 0.15 0.00 0.00 0.00 77 L H H 74.05 7.20 21.82 29.39 91.40 49.88 -63.08 -41.78 0.99 0.01 99.00 0.08 0.05 0.78 98.69 0.39 0.00 0.00 0.00 78 G H H 33.60 3.56 20.54 24.05 91.55 50.53 -63.85 -41.36 3.95 0.01 96.03 0.25 0.20 3.43 95.04 1.05 0.01 0.01 0.00 79 L H H 44.26 10.40 15.95 27.69 92.08 49.22 -65.77 -39.83 6.77 0.08 93.15 0.88 0.68 5.24 90.00 3.07 0.06 0.04 0.04 80 S H H 43.23 10.37 13.89 25.21 92.35 53.19 -64.53 -40.13 11.50 0.15 88.35 1.42 1.11 8.98 81.84 6.39 0.10 0.08 0.07 81 Y H H 167.16 1.85 15.54 17.51 92.25 51.86 -68.31 -28.49 22.93 0.15 76.92 1.43 1.59 19.91 71.17 5.64 0.11 0.07 0.09 82 V C T 95.93 3.02 12.84 16.76 95.52 53.63 -84.92 -5.88 65.82 0.48 33.69 2.27 6.06 55.92 30.04 4.99 0.09 0.20 0.42 83 G C T 54.83 2.64 12.53 16.51 97.47 -110.76 77.99 10.58 94.00 0.43 5.57 6.62 10.27 77.27 3.82 1.55 0.00 0.24 0.22 84 V C C 89.00 4.62 11.55 17.85 97.11 119.95 -78.25 -21.74 92.57 2.31 5.12 38.28 34.38 20.22 2.65 2.24 0.00 1.07 1.16 85 L C C 79.82 9.79 8.57 18.96 108.26 58.64 -97.32 68.18 87.07 7.45 5.49 60.35 11.59 15.02 2.67 2.30 0.01 3.75 4.31 86 S C C 81.66 3.04 14.58 18.97 111.91 -157.42 -97.52 119.45 99.87 0.12 0.01 99.82 0.07 0.03 0.00 0.00 0.00 0.07 0.01