# 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 A C C 70.66 5.66 10.53 17.85 116.45 -147.66 -92.77 144.08 99.96 0.03 0.01 99.91 0.06 0.02 0.00 0.00 0.00 0.01 0.00 1 S C C 83.64 2.80 9.24 13.77 113.29 -126.54 -87.14 137.81 94.99 1.28 3.74 92.60 0.70 2.84 1.21 1.42 0.00 0.59 0.64 2 V C C 119.77 2.19 7.99 11.93 109.24 -141.50 -93.01 96.57 85.95 2.89 11.16 45.56 14.86 25.74 2.38 8.65 0.00 1.48 1.33 3 G C C 54.36 2.72 9.22 13.69 113.87 -135.47 -103.97 156.18 85.00 2.18 12.82 39.08 18.77 27.21 2.41 10.40 0.00 1.08 1.06 4 E C C 145.77 2.27 9.17 13.16 112.98 -124.51 -95.65 126.11 83.84 2.53 13.63 54.28 19.15 10.11 3.54 10.22 0.00 1.20 1.50 5 C C C 85.57 4.73 7.95 14.59 117.70 -141.18 -91.34 141.01 89.50 2.64 7.86 60.45 21.12 7.79 2.71 5.09 0.00 1.23 1.62 6 P C C 105.52 2.91 10.44 15.00 109.58 -106.44 -74.89 134.76 91.27 2.08 6.64 62.22 18.97 9.81 1.83 4.95 0.00 1.05 1.16 7 A C C 72.48 4.74 9.35 15.97 118.32 -128.69 -94.22 140.39 95.25 2.17 2.58 65.04 26.19 3.93 0.75 1.78 0.00 0.96 1.34 8 P C C 108.76 2.51 11.92 15.89 107.62 -116.53 -74.12 130.13 96.57 2.06 1.37 55.73 37.71 3.27 0.42 0.86 0.00 0.91 1.10 9 V C S 75.11 8.93 8.45 18.44 117.68 -117.68 -100.50 128.82 96.93 2.63 0.43 48.18 48.55 0.67 0.21 0.17 0.00 1.03 1.19 10 P C C 86.41 3.58 13.93 18.71 110.59 -112.68 -68.46 139.09 96.38 2.66 0.95 89.30 5.98 1.26 0.33 0.51 0.00 1.35 1.27 11 V C C 79.53 9.65 8.87 19.14 109.90 -152.42 -96.79 108.83 88.65 8.20 3.15 79.29 5.48 2.26 1.08 1.88 0.00 2.66 7.33 12 K C T 135.75 3.73 12.01 17.26 108.20 91.03 -82.56 114.76 94.87 2.11 3.01 21.80 28.42 44.70 0.49 2.58 0.00 1.13 0.89 13 D C T 119.40 2.00 13.01 15.59 103.25 -22.22 -88.67 50.56 96.05 1.39 2.55 19.98 29.83 46.21 0.34 2.35 0.00 0.87 0.41 14 K C C 96.81 7.26 10.10 18.98 120.12 120.51 -102.18 147.91 98.04 1.55 0.41 51.86 45.48 0.73 0.11 0.26 0.00 0.73 0.83 15 K C C 114.93 3.15 15.50 19.15 115.24 -109.41 -76.84 145.06 75.71 23.93 0.36 71.59 1.53 0.17 0.17 0.12 0.00 3.75 22.67 16 L H G 69.54 14.07 9.52 23.51 91.90 -117.99 -58.46 -34.66 12.31 0.21 87.48 1.60 1.38 7.27 0.76 88.82 0.00 0.15 0.01 17 L H G 113.72 4.15 14.09 19.36 90.57 61.51 -68.89 -17.07 10.90 0.08 89.01 0.43 0.71 7.81 0.58 90.40 0.00 0.06 0.01 18 E H G 133.47 1.97 16.06 18.01 94.38 55.52 -89.98 -2.11 10.61 0.09 89.30 0.88 1.06 6.42 0.61 90.97 0.00 0.06 0.01 19 V C C 38.67 14.73 6.95 21.20 117.92 97.31 -86.79 139.15 98.15 0.61 1.24 69.50 27.94 0.62 0.48 0.58 0.00 0.15 0.72 20 K C C 138.90 1.76 15.94 17.65 119.36 -138.25 -92.52 150.63 93.30 5.22 1.48 89.35 2.00 0.52 0.69 0.47 0.00 0.87 6.10 21 L C T 118.19 5.29 11.73 18.70 106.41 -91.07 -59.32 131.50 66.43 0.68 32.89 2.53 6.13 56.81 1.91 31.77 0.00 0.34 0.50 22 G C T 54.51 2.41 14.96 18.04 95.42 24.40 79.23 -3.94 67.93 0.26 31.81 2.15 4.95 59.48 1.70 31.42 0.00 0.14 0.15 23 E C C 88.54 6.62 14.22 22.34 96.34 87.38 -83.45 -14.85 65.17 1.32 33.51 41.95 11.37 10.38 4.65 30.04 0.00 0.48 1.14 24 L H H 37.95 15.48 10.94 26.34 94.74 78.69 -65.77 -39.00 42.85 0.27 56.89 35.31 5.33 3.23 52.94 2.93 0.00 0.08 0.17 25 P H H 69.34 5.07 16.00 22.29 92.14 55.90 -62.43 -37.82 12.12 0.08 87.80 4.28 1.25 6.25 76.45 11.68 0.01 0.05 0.03 26 S H H 63.10 2.38 17.04 19.24 92.14 51.85 -65.79 -37.13 5.09 0.04 94.87 1.00 0.49 3.19 81.27 13.99 0.01 0.03 0.01 27 W H H 76.67 10.25 13.58 25.18 92.78 51.94 -66.22 -39.39 2.43 0.03 97.54 0.49 0.26 1.52 84.04 13.66 0.00 0.02 0.00 28 I H H 54.16 12.80 12.31 25.65 91.93 52.01 -65.46 -36.19 4.22 0.06 95.72 0.62 0.42 2.93 82.66 13.30 0.01 0.04 0.01 29 L H H 114.91 2.57 14.96 18.35 91.71 55.54 -70.20 -24.09 17.37 0.09 82.54 1.15 1.20 14.10 71.62 11.78 0.06 0.05 0.04 30 M H H 128.44 2.33 14.42 17.17 96.47 54.57 -87.03 -8.73 46.88 0.37 52.75 5.20 5.62 35.34 44.10 9.17 0.12 0.16 0.29 31 R C T 107.54 9.85 10.59 21.30 119.67 88.99 -95.76 146.66 76.44 1.34 22.22 19.32 27.00 31.01 14.86 6.21 0.04 0.51 1.05 32 D C C 95.71 4.43 15.58 21.23 107.86 -119.07 -85.53 109.40 93.15 0.99 5.86 59.25 11.29 22.94 2.07 3.35 0.00 0.51 0.60 33 F C C 91.19 13.08 12.25 25.54 104.47 -164.28 -94.99 56.79 95.43 2.05 2.52 80.27 11.75 2.92 1.22 1.19 0.00 0.73 1.92 34 S C C 46.94 4.86 18.68 24.34 124.12 135.25 -94.99 160.70 97.84 0.69 1.47 67.58 29.35 0.58 1.49 0.15 0.00 0.14 0.72 35 P H H 70.11 10.65 13.57 25.03 91.26 -104.40 -58.86 -35.36 11.64 0.04 88.32 0.86 1.41 9.52 86.62 1.51 0.04 0.01 0.02 36 S H H 77.18 2.42 18.10 20.77 91.78 54.74 -64.98 -36.90 7.17 0.02 92.81 0.56 0.61 5.88 91.51 1.40 0.02 0.01 0.01 37 G H H 21.05 7.50 15.91 25.30 92.18 52.36 -64.14 -41.55 3.13 0.03 96.83 0.89 0.44 1.74 95.58 1.32 0.01 0.01 0.01 38 I H H 43.60 13.90 16.06 30.24 92.25 48.34 -65.26 -42.28 1.34 0.02 98.64 0.36 0.15 0.72 98.28 0.47 0.00 0.01 0.00 39 F H H 86.38 7.93 19.07 27.56 91.83 49.46 -63.69 -41.98 0.67 0.00 99.33 0.11 0.06 0.39 99.24 0.19 0.00 0.00 0.00 40 G H H 29.95 3.79 20.24 24.44 91.24 50.99 -63.33 -42.43 0.95 0.00 99.05 0.11 0.06 0.64 98.99 0.20 0.00 0.00 0.00 41 A H H 33.28 8.84 18.36 28.48 91.84 50.23 -64.40 -42.05 0.80 0.00 99.20 0.09 0.04 0.55 99.13 0.18 0.00 0.00 0.00 42 F H H 65.17 12.40 17.99 30.59 91.91 49.63 -64.60 -41.91 0.65 0.00 99.35 0.08 0.04 0.42 99.30 0.16 0.00 0.00 0.00 43 Q H H 89.61 5.40 20.25 26.00 91.69 50.48 -63.90 -41.44 0.66 0.00 99.34 0.07 0.03 0.45 99.30 0.15 0.00 0.00 0.00 44 R H H 126.74 2.79 21.38 23.49 91.63 49.30 -64.79 -41.21 0.73 0.00 99.27 0.05 0.03 0.54 99.21 0.16 0.00 0.00 0.00 45 G H H 15.97 10.13 16.84 28.54 91.77 50.78 -64.00 -41.73 0.97 0.00 99.03 0.07 0.05 0.70 99.03 0.15 0.00 0.00 0.00 46 Y H H 77.96 10.61 17.27 28.61 91.83 50.68 -63.86 -41.80 0.61 0.00 99.39 0.06 0.03 0.42 99.37 0.12 0.00 0.00 0.00 47 Y H H 120.50 3.47 19.27 22.78 91.80 49.52 -64.38 -41.49 0.32 0.00 99.68 0.03 0.02 0.21 99.65 0.10 0.00 0.00 0.00 48 R H H 115.02 3.37 18.64 22.03 92.02 49.64 -65.11 -41.55 0.32 0.00 99.68 0.02 0.01 0.24 99.58 0.14 0.00 0.00 0.00 49 Y H H 59.26 10.44 14.74 26.49 92.68 48.22 -65.65 -42.24 0.46 0.00 99.53 0.03 0.03 0.36 99.36 0.22 0.00 0.00 0.00 50 Y H H 87.94 9.45 13.88 24.41 93.07 47.04 -67.36 -39.71 1.02 0.00 98.97 0.07 0.06 0.85 98.57 0.45 0.00 0.00 0.00 51 N H H 100.98 2.73 15.47 18.61 94.92 44.18 -74.67 -32.77 5.14 0.01 94.85 0.13 0.22 4.90 93.99 0.74 0.02 0.00 0.01 52 K H H 132.63 2.32 15.78 18.18 101.48 34.92 -92.59 -32.95 19.04 0.02 80.93 0.25 0.76 18.87 79.09 0.96 0.04 0.01 0.02 53 Y H H 117.35 6.15 13.80 21.10 106.73 24.18 -111.08 -26.82 48.83 0.23 50.95 1.59 5.58 40.26 50.89 1.31 0.12 0.06 0.18 54 I C C 60.81 11.63 11.30 23.53 113.06 36.87 -111.39 91.60 75.43 5.46 19.10 29.81 26.75 19.08 15.73 3.27 0.12 2.07 3.18 55 N C C 101.84 3.94 16.67 21.47 103.13 -152.19 -76.74 78.85 89.50 2.48 8.02 76.68 5.84 6.71 6.29 1.88 0.00 1.50 1.10 56 V C C 54.16 12.98 10.08 23.46 110.47 -171.73 -88.79 121.15 83.23 2.85 13.91 66.42 7.85 8.93 8.17 5.51 0.00 1.55 1.57 57 K C C 133.08 3.67 14.61 19.57 109.14 -141.00 -80.62 113.71 84.78 2.29 12.93 58.12 12.25 14.44 6.89 5.80 0.00 1.12 1.37 58 K C T 135.08 4.50 12.53 18.74 109.56 -91.82 -81.41 119.24 86.56 1.72 11.72 28.27 23.48 35.43 5.21 5.79 0.01 0.78 1.03 59 G C T 52.42 3.80 13.29 18.21 101.67 18.89 82.99 0.02 92.70 1.00 6.31 28.63 32.13 32.56 2.29 3.39 0.00 0.44 0.56 60 S C S 53.42 4.13 13.81 19.13 126.65 109.73 -102.34 169.51 81.23 2.43 16.33 25.03 51.72 3.95 15.87 1.09 0.01 0.53 1.80 61 I H H 115.49 4.35 13.47 19.31 92.67 -91.92 -62.22 -35.78 8.58 0.06 91.36 1.31 1.94 5.26 90.64 0.78 0.03 0.02 0.03 62 S H H 62.12 3.68 16.02 20.32 92.22 54.20 -64.65 -39.21 4.42 0.02 95.56 0.76 0.51 2.83 95.26 0.62 0.01 0.01 0.01 63 G H H 15.19 9.18 14.22 25.62 91.57 52.68 -63.12 -42.32 0.92 0.00 99.08 0.25 0.09 0.45 98.89 0.31 0.00 0.00 0.00 64 I H H 63.48 9.56 16.55 27.06 92.31 50.02 -64.95 -41.73 0.23 0.00 99.77 0.05 0.01 0.11 99.73 0.09 0.00 0.00 0.00 65 T H H 61.63 6.29 19.02 25.88 92.20 50.45 -64.76 -40.87 0.16 0.00 99.84 0.02 0.01 0.09 99.83 0.05 0.00 0.00 0.00 66 M H H 85.23 6.30 19.48 26.11 92.31 50.21 -65.24 -41.16 0.16 0.00 99.84 0.01 0.01 0.11 99.83 0.04 0.00 0.00 0.00 67 V H H 51.12 10.18 18.39 29.28 92.13 49.88 -64.62 -42.66 0.27 0.00 99.73 0.02 0.01 0.21 99.73 0.04 0.00 0.00 0.00 68 L H H 66.85 8.87 19.64 29.17 91.98 49.73 -64.47 -41.86 0.36 0.00 99.64 0.02 0.01 0.27 99.65 0.04 0.00 0.00 0.00 69 A H H 46.20 6.26 19.79 26.66 91.87 50.51 -64.08 -41.92 0.32 0.00 99.68 0.03 0.01 0.22 99.68 0.05 0.00 0.00 0.00 70 C H H 49.08 7.41 19.77 27.90 92.00 50.24 -64.35 -41.92 0.28 0.00 99.72 0.03 0.01 0.18 99.72 0.06 0.00 0.00 0.00 71 Y H H 84.39 9.55 19.64 29.65 92.20 49.91 -64.95 -41.66 0.10 0.00 99.90 0.01 0.00 0.06 99.89 0.03 0.00 0.00 0.00 72 V H H 58.09 8.32 19.27 28.46 91.86 50.33 -63.94 -42.45 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.02 0.00 0.00 0.00 73 L H H 76.91 6.12 20.15 26.69 91.73 49.32 -64.16 -42.35 0.08 0.00 99.92 0.00 0.00 0.05 99.91 0.03 0.00 0.00 0.00 74 F H H 88.06 7.26 19.73 27.37 92.04 48.62 -65.11 -41.59 0.17 0.00 99.83 0.01 0.00 0.13 99.80 0.05 0.00 0.00 0.00 75 S H H 39.43 8.05 18.14 27.18 91.98 50.01 -64.59 -41.43 0.71 0.00 99.29 0.04 0.03 0.56 99.19 0.17 0.00 0.00 0.00 76 Y H H 95.98 6.84 18.44 26.08 92.20 49.74 -65.11 -40.96 1.07 0.00 98.93 0.06 0.05 0.87 98.54 0.47 0.00 0.00 0.00 77 S H H 44.33 6.77 17.06 24.85 92.19 50.76 -64.56 -41.12 1.86 0.00 98.14 0.13 0.11 1.48 97.21 1.07 0.00 0.00 0.00 78 F H H 100.00 5.43 17.48 23.36 92.60 49.45 -67.27 -37.63 6.31 0.01 93.68 0.27 0.34 5.57 92.08 1.73 0.01 0.00 0.00 79 S H H 53.36 5.91 15.83 22.80 92.99 51.93 -72.84 -28.67 22.42 0.04 77.54 1.12 1.40 19.76 75.63 2.00 0.03 0.02 0.03 80 Y H H 94.96 7.97 13.59 22.80 98.27 53.35 -87.33 -0.67 34.95 0.28 64.77 10.59 6.12 19.15 60.46 3.34 0.04 0.10 0.19 81 K H H 118.52 3.78 15.53 20.31 93.25 88.31 -63.32 -39.38 13.58 0.10 86.31 3.64 1.93 7.72 80.65 5.94 0.02 0.05 0.05 82 H H H 110.41 2.93 16.04 19.30 92.96 51.16 -66.14 -39.77 11.31 0.07 88.62 2.39 1.34 7.13 82.70 6.36 0.02 0.04 0.03 83 L H H 67.62 5.48 14.40 21.35 92.56 49.93 -66.17 -40.78 8.79 0.09 91.12 2.58 1.27 4.78 85.34 5.92 0.02 0.05 0.03 84 K H H 98.84 4.18 14.86 20.29 92.00 51.37 -64.05 -40.95 8.13 0.09 91.78 2.83 1.33 4.04 88.35 3.37 0.01 0.05 0.03 85 H H H 101.80 2.43 14.80 17.64 92.30 50.02 -65.32 -40.13 9.36 0.08 90.56 3.33 1.26 4.82 87.18 3.34 0.01 0.04 0.03 86 E H H 95.74 2.54 14.26 17.35 92.09 51.27 -64.77 -40.53 6.36 0.05 93.59 2.09 0.93 3.28 89.89 3.77 0.01 0.02 0.02 87 R H H 116.28 3.20 12.77 16.99 92.04 51.23 -64.33 -40.06 6.32 0.05 93.63 1.74 0.77 3.60 88.43 5.41 0.01 0.03 0.02 88 L H H 92.16 2.53 11.51 15.24 92.23 51.16 -65.87 -37.92 6.87 0.04 93.09 1.58 0.71 4.12 85.10 8.44 0.00 0.02 0.01 89 R H H 152.86 1.49 10.84 12.92 92.60 51.88 -67.39 -34.54 11.64 0.06 88.30 2.06 1.18 7.57 76.78 12.32 0.02 0.03 0.03 90 K H H 145.49 1.44 10.44 12.30 94.34 51.48 -70.88 -30.14 28.40 0.15 71.45 3.75 2.64 20.67 60.75 11.99 0.04 0.07 0.09 91 Y C H 160.15 2.02 8.88 12.01 100.16 42.87 -92.24 -5.24 52.78 0.33 46.89 20.70 2.35 29.62 40.97 5.98 0.00 0.13 0.25 92 H C C 126.17 3.95 9.37 15.06 106.79 82.81 -85.74 86.80 99.92 0.04 0.04 99.77 0.09 0.09 0.02 0.00 0.00 0.01 0.01