# 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 S C C 64.04 4.90 12.86 19.13 114.51 -153.19 -100.64 139.34 99.28 0.39 0.33 98.91 0.33 0.23 0.19 0.04 0.00 0.19 0.12 1 L C C 101.99 5.73 9.95 17.09 97.28 -163.47 -73.95 -19.48 54.53 2.18 43.28 38.32 4.04 12.69 24.49 18.12 0.01 1.29 1.04 2 A C H 73.66 3.26 9.84 14.61 95.76 71.14 -69.62 -25.20 52.19 3.47 44.34 20.93 10.98 20.81 22.23 21.51 0.13 1.82 1.60 3 R C C 164.33 1.93 10.92 13.75 97.83 57.01 -82.68 -6.52 49.42 4.14 46.44 22.96 11.26 16.08 22.71 22.95 0.10 2.26 1.69 4 V C H 91.79 4.38 8.79 14.93 104.65 84.37 -82.43 30.63 51.98 3.95 44.08 16.83 11.56 24.00 25.64 17.52 0.36 2.03 2.05 5 G C T 52.78 2.58 11.57 15.25 105.07 2.92 74.37 -17.92 61.75 3.90 34.35 19.42 13.27 29.44 19.75 14.01 0.21 2.12 1.78 6 K C C 144.07 2.30 11.11 14.60 106.14 63.79 -87.22 42.17 61.83 10.68 27.49 37.07 11.74 13.24 16.83 10.60 0.15 6.60 3.78 7 V C C 81.41 5.94 7.30 14.90 113.64 91.15 -94.70 127.13 62.22 18.49 19.30 43.01 11.49 6.56 14.85 4.91 0.18 9.63 9.38 8 R C T 178.53 1.62 9.61 12.49 110.84 -132.13 -82.15 128.47 69.00 10.21 20.79 18.94 10.21 39.11 14.13 7.02 0.23 6.33 4.03 9 G C T 63.58 0.99 10.59 11.56 100.59 8.94 77.56 -1.46 80.19 1.71 18.10 12.33 13.72 53.80 10.43 7.79 0.04 1.02 0.86 10 Q C C 131.43 2.28 8.83 12.66 105.05 86.10 -90.50 12.34 76.52 4.40 19.08 35.15 23.44 18.33 11.62 7.12 0.05 2.20 2.10 11 T C C 98.05 2.63 9.12 13.42 115.07 60.29 -98.55 131.24 74.40 9.24 16.37 49.96 18.40 5.60 13.68 3.34 0.04 4.82 4.16 12 L C C 103.27 4.63 8.75 15.22 113.37 -122.39 -79.89 142.14 72.95 8.38 18.67 59.01 8.11 5.00 16.16 3.32 0.01 6.07 2.33 13 K C C 155.18 1.73 10.76 13.78 113.66 -132.57 -89.42 129.84 69.71 10.66 19.63 56.48 7.82 4.38 17.70 2.94 0.01 7.14 3.52 14 V C C 89.52 5.57 7.44 14.66 116.95 -156.43 -98.67 135.12 66.52 6.63 26.85 56.28 6.18 3.46 25.07 2.74 0.00 4.35 1.93 15 A C C 72.54 2.52 9.81 13.61 113.08 -117.27 -75.94 147.55 64.32 3.12 32.55 54.23 5.32 4.34 29.55 3.68 0.00 2.10 0.78 16 K C H 157.25 1.54 9.04 11.74 105.87 -116.64 -77.97 102.79 50.57 2.39 47.04 35.16 8.51 7.60 39.39 7.17 0.02 1.46 0.70 17 Q H H 127.33 2.31 8.40 12.21 109.05 57.50 -87.41 111.29 48.30 1.99 49.71 33.49 7.86 7.72 41.20 7.91 0.02 1.18 0.63 18 E C H 129.69 2.81 8.32 12.76 107.19 -139.84 -85.09 83.60 49.94 1.71 48.35 35.94 7.36 7.31 40.46 7.36 0.01 0.95 0.60 19 K C C 141.76 2.62 8.18 12.45 108.88 76.80 -85.50 112.16 57.58 1.40 41.02 41.23 7.93 8.21 36.17 5.17 0.01 0.71 0.58 20 K C C 151.95 1.85 8.33 11.57 108.39 -154.06 -90.52 97.07 66.79 1.43 31.78 48.42 8.89 8.51 28.49 4.30 0.01 0.69 0.69 21 K C C 145.57 2.35 8.14 12.21 111.56 141.10 -91.09 126.25 75.22 1.77 23.02 54.46 11.67 7.85 20.89 3.37 0.00 0.84 0.92 22 K C C 151.80 1.84 8.98 12.31 113.41 -142.33 -90.18 132.45 81.74 2.17 16.09 63.73 10.20 6.63 14.59 2.64 0.00 1.12 1.09 23 R C C 156.19 3.27 7.99 13.24 114.29 -140.48 -89.16 131.61 84.09 3.00 12.91 66.95 10.89 4.96 12.14 1.98 0.00 1.46 1.63 24 T C C 91.81 2.07 8.92 12.42 120.06 -167.88 -107.41 155.44 84.10 2.58 13.32 68.49 10.92 3.35 13.34 1.33 0.00 1.11 1.46 25 G H H 51.49 1.34 12.26 13.39 107.58 -7.81 22.04 -100.82 25.78 0.53 73.68 14.22 7.67 5.87 69.86 1.92 0.02 0.21 0.23 26 R H H 159.55 1.36 11.58 12.97 93.98 5.23 -66.86 -36.53 8.71 0.21 91.07 4.19 1.70 3.66 88.38 1.86 0.02 0.12 0.07 27 A H H 50.34 3.68 10.39 15.96 92.04 53.43 -64.62 -39.66 4.45 0.21 95.34 2.21 0.78 1.93 93.07 1.80 0.02 0.15 0.05 28 K H H 118.57 2.21 12.70 15.55 92.12 51.62 -64.83 -39.92 2.08 0.13 97.79 0.88 0.35 0.97 96.39 1.27 0.01 0.10 0.02 29 R H H 139.88 1.41 13.79 14.77 92.11 50.49 -65.00 -40.74 2.04 0.13 97.83 0.68 0.29 1.15 96.57 1.18 0.01 0.10 0.02 30 R H H 131.15 2.13 13.09 15.76 92.50 50.38 -65.53 -40.21 2.82 0.15 97.04 0.80 0.35 1.77 95.49 1.42 0.02 0.12 0.03 31 M H H 92.91 3.49 11.87 16.75 92.92 50.83 -66.20 -39.46 5.52 0.12 94.36 1.24 0.59 3.71 92.32 1.98 0.03 0.08 0.04 32 Q H H 115.29 1.70 12.82 14.72 93.13 52.10 -65.93 -38.41 14.37 0.18 85.45 2.09 1.31 10.86 83.29 2.20 0.07 0.09 0.09 33 Y H H 149.28 1.58 12.19 13.82 94.75 49.88 -71.93 -34.77 30.39 0.54 69.08 5.52 4.03 21.33 65.65 2.79 0.15 0.23 0.31 34 N H H 88.99 3.39 10.74 15.57 98.72 52.68 -83.37 -13.26 41.93 1.51 56.55 19.48 6.55 17.62 48.95 5.86 0.07 0.74 0.72 35 R H H 146.81 3.01 10.67 15.15 95.67 75.03 -67.38 -22.97 34.74 1.72 63.54 12.56 4.91 16.79 43.19 20.77 0.09 1.06 0.63 36 R H H 156.47 1.97 10.96 13.95 95.48 66.64 -72.52 -24.84 34.94 2.52 62.55 10.38 5.04 18.36 41.45 22.19 0.14 1.72 0.72 37 F H H 136.94 2.60 10.32 14.13 100.63 51.57 -87.11 -14.49 34.03 7.09 58.88 12.88 6.16 15.00 39.70 19.26 0.31 5.07 1.62 38 V C H 97.75 3.55 9.52 14.68 105.69 66.11 -86.30 18.64 43.95 12.21 43.84 18.43 9.61 17.35 33.48 9.23 0.56 8.46 2.87 39 N C C 116.81 2.06 10.64 13.71 103.35 54.95 -90.70 19.72 62.39 10.07 27.54 26.60 11.62 24.55 20.75 6.70 0.15 7.72 1.90 40 V C C 104.29 2.92 9.15 13.80 109.45 94.32 -93.98 102.50 71.19 12.34 16.47 44.69 18.20 8.16 12.96 3.96 0.06 7.88 4.09 41 V C C 101.30 2.83 8.61 13.30 117.08 106.54 -104.75 128.52 85.20 9.76 5.05 63.28 19.49 2.30 3.84 1.50 0.00 6.24 3.34 42 P C C 99.57 2.60 8.94 13.44 112.87 -115.64 -70.41 144.30 85.65 5.72 8.63 68.78 9.17 7.41 4.15 4.50 0.00 4.26 1.72 43 T C C 105.08 2.13 7.73 11.59 113.91 -155.51 -102.45 131.47 83.41 5.48 11.11 52.61 15.46 15.16 4.03 7.15 0.01 2.90 2.69 44 F C T 175.05 1.01 7.65 9.58 109.83 -103.11 -88.94 117.11 85.39 4.13 10.47 28.93 21.07 36.25 2.77 7.02 0.01 2.19 1.77 45 G C T 60.19 1.29 9.06 11.23 108.75 7.87 89.42 -1.04 89.40 3.75 6.86 29.29 26.51 34.15 1.28 5.39 0.00 2.09 1.28 46 K C C 156.89 1.67 9.12 12.23 112.79 119.94 -92.48 125.08 86.84 8.14 5.02 57.29 21.24 8.05 1.38 3.75 0.00 4.72 3.57 47 K C C 145.32 2.67 8.75 13.40 116.39 -140.92 -93.29 135.48 85.98 11.31 2.71 69.79 10.83 4.57 0.98 1.82 0.00 6.79 5.22 48 K C C 145.71 2.77 9.48 14.24 115.91 -139.53 -92.30 137.38 87.61 10.78 1.61 69.15 14.51 3.07 0.66 1.01 0.00 5.31 6.29 49 G C C 36.42 5.06 8.88 15.67 125.87 -123.39 -100.15 173.32 95.50 2.83 1.67 70.29 21.79 3.13 0.55 1.17 0.00 1.38 1.69 50 P C T 113.42 1.63 10.61 12.86 96.23 -75.36 -66.30 -23.12 81.72 1.37 16.91 22.52 12.38 46.67 2.40 14.65 0.00 0.75 0.63 51 N C T 119.27 1.96 9.30 12.31 100.25 52.41 -88.31 8.32 79.55 1.59 18.86 22.00 12.00 45.73 3.10 15.51 0.01 0.83 0.82 52 A C C 70.56 4.76 7.48 13.93 103.09 112.67 -79.39 27.12 75.05 2.64 22.32 36.80 15.23 23.20 3.62 18.51 0.01 1.24 1.39 53 N C C 124.46 1.81 8.82 12.01 105.02 72.20 -91.42 42.95 86.56 1.86 11.58 60.64 5.52 21.15 3.12 7.55 0.00 1.01 1.00 54 S C C 79.55 3.32 9.99 15.07 109.45 131.56 -87.27 114.05 99.49 0.29 0.22 98.47 0.64 0.49 0.09 0.06 0.00 0.16 0.09