# 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 K C C 146.33 2.59 12.28 16.41 117.66 -153.68 -99.54 137.32 99.65 0.33 0.02 99.57 0.15 0.04 0.01 0.00 0.00 0.20 0.03 1 V C C 107.90 3.70 9.04 14.82 116.06 -139.03 -95.68 130.67 79.22 19.00 1.78 78.34 1.21 0.91 1.03 0.55 0.00 12.20 5.77 2 A C C 75.37 3.91 8.81 14.61 114.72 -153.98 -96.38 130.29 74.55 22.31 3.14 62.82 7.23 3.28 1.69 1.56 0.01 16.48 6.95 3 H C C 139.14 3.08 10.20 14.96 116.82 -146.80 -102.62 136.61 70.18 21.51 8.31 47.78 12.66 9.54 4.96 3.54 0.06 16.48 4.98 4 G C S 44.71 4.55 12.43 18.14 116.71 31.19 93.26 -125.00 70.16 6.31 23.53 25.26 26.29 19.59 17.47 5.56 0.15 3.76 1.92 5 S C H 59.67 4.88 12.78 18.88 110.15 -60.63 -86.55 144.48 55.58 3.08 41.35 31.45 14.75 11.29 32.76 6.81 0.10 1.42 1.43 6 L H H 82.42 6.75 11.70 19.86 95.22 -117.48 -68.23 -31.89 21.57 1.68 76.75 7.57 4.88 10.55 54.70 20.36 0.31 1.07 0.56 7 A H H 56.24 5.30 12.10 19.06 93.34 57.98 -65.23 -38.75 16.92 1.58 81.49 4.80 2.79 9.39 57.24 23.91 0.21 1.31 0.35 8 R H H 163.09 1.96 13.51 15.99 93.43 53.10 -70.61 -27.50 20.65 1.35 78.00 4.21 3.27 12.63 53.83 24.32 0.38 0.94 0.42 9 A C T 62.23 4.73 10.84 17.08 94.64 59.22 -81.02 -6.61 58.82 0.96 40.22 3.28 6.18 47.07 29.27 12.67 0.24 0.53 0.76 10 G C T 51.51 3.00 13.06 17.24 97.47 -110.91 76.84 9.65 89.11 0.48 10.41 6.39 7.16 75.44 6.95 3.47 0.01 0.25 0.31 11 K C C 120.08 3.97 11.86 17.29 101.56 117.38 -85.48 -2.01 71.90 5.49 22.62 35.20 16.03 21.06 11.53 10.40 0.16 2.48 3.14 12 V C C 65.24 7.63 9.47 18.46 105.46 64.63 -94.59 4.02 59.60 8.01 32.39 33.57 12.82 13.17 16.82 14.57 0.42 3.38 5.24 13 K H G 144.42 2.94 11.17 15.69 95.61 95.87 -66.59 -34.53 23.15 1.75 75.10 7.61 4.50 11.73 14.25 60.30 0.02 1.23 0.36 14 S H G 98.28 0.62 12.36 11.83 95.02 51.29 -76.20 -15.73 26.48 0.94 72.58 4.71 4.22 17.19 11.02 61.99 0.01 0.63 0.23 15 Q H G 128.85 2.28 10.76 14.18 98.89 54.08 -94.53 -3.07 35.49 1.10 63.41 9.58 7.86 18.56 6.04 56.94 0.01 0.62 0.39 16 T C S 65.88 8.04 6.84 16.12 119.01 91.48 -95.05 133.19 99.14 0.61 0.25 36.51 62.46 0.27 0.13 0.06 0.00 0.15 0.42 17 P C C 89.69 2.87 10.78 15.22 113.98 -110.49 -68.30 149.13 97.70 0.90 1.40 89.42 6.20 2.17 0.59 0.65 0.00 0.42 0.55 18 K C C 168.46 1.19 10.03 12.41 113.13 -111.60 -80.26 132.65 93.14 5.26 1.59 83.13 7.66 1.64 0.78 0.75 0.00 2.01 4.03 19 V C C 94.54 5.16 6.42 13.42 119.85 -157.53 -104.49 137.69 91.79 6.56 1.65 87.04 3.92 0.58 1.07 0.52 0.00 2.67 4.20 20 E C C 153.55 0.90 9.94 11.21 114.57 -117.27 -77.64 140.86 94.96 2.44 2.60 92.52 2.15 0.82 1.42 0.81 0.00 1.41 0.87 21 K C C 159.65 1.92 7.24 11.18 112.74 -107.03 -74.66 138.32 88.97 2.59 8.45 80.03 6.07 3.10 3.95 4.23 0.00 1.46 1.16 22 Q C C 132.99 1.97 7.26 11.09 118.08 -138.23 -96.43 141.70 90.01 2.73 7.26 78.73 8.58 2.92 3.18 3.87 0.00 1.52 1.21 23 E C C 153.87 1.32 7.28 10.14 113.48 -119.47 -83.03 134.36 90.83 3.02 6.15 81.50 7.28 2.30 2.95 2.93 0.00 1.66 1.38 24 K C C 150.25 1.99 6.75 10.56 115.34 -137.67 -93.03 136.22 95.32 1.69 2.98 88.31 5.56 1.66 1.58 1.14 0.00 0.93 0.82 25 K C C 167.65 1.04 7.41 9.64 111.37 -124.74 -83.22 132.39 96.21 1.64 2.16 87.13 6.79 2.33 1.09 0.91 0.00 0.82 0.92 26 K C C 159.87 1.33 7.44 10.23 116.24 -138.04 -95.40 138.82 97.21 1.76 1.04 74.36 20.91 1.74 0.51 0.47 0.00 0.74 1.26 27 T C C 109.89 1.41 8.31 11.10 115.05 -116.87 -89.99 131.13 98.53 1.08 0.39 72.94 25.09 0.58 0.23 0.14 0.00 0.46 0.57 28 P C C 88.43 4.42 6.52 12.93 113.00 -112.27 -69.35 145.58 95.95 1.03 3.02 83.90 8.01 4.07 1.93 0.95 0.00 0.49 0.65 29 K C C 161.16 0.98 9.06 10.72 117.92 -153.02 -107.14 145.49 92.58 1.72 5.70 73.61 13.20 5.22 4.39 1.43 0.00 0.63 1.52 30 G C H 51.00 1.20 11.58 12.67 119.23 6.15 78.96 -156.44 51.07 1.41 47.52 23.00 21.48 8.42 42.33 3.44 0.03 0.46 0.84 31 R H H 174.23 1.16 10.94 12.20 94.52 -27.84 -66.93 -31.67 17.76 0.41 81.83 8.99 3.72 7.03 74.66 5.19 0.03 0.21 0.16 32 A H H 54.93 3.75 9.87 15.47 92.58 56.20 -65.28 -38.19 11.14 0.58 88.28 6.70 2.10 4.22 80.95 5.44 0.04 0.38 0.17 33 K H H 116.18 2.93 12.03 16.17 92.57 54.11 -65.10 -38.80 4.61 0.41 94.98 2.50 0.97 2.02 89.81 4.27 0.03 0.32 0.08 34 K H H 126.46 1.67 13.84 15.47 92.52 51.65 -65.43 -39.26 3.69 0.44 95.87 1.58 0.66 1.91 91.98 3.40 0.03 0.34 0.09 35 R H H 128.67 2.86 13.45 17.19 93.01 51.94 -66.29 -39.15 4.11 0.48 95.41 1.45 0.57 2.40 91.20 3.85 0.04 0.41 0.09 36 L H H 78.28 4.85 12.60 19.02 93.17 52.63 -66.70 -39.04 7.41 0.42 92.17 2.17 0.86 4.72 87.66 4.08 0.07 0.32 0.12 37 T H H 77.76 2.87 13.87 17.41 93.74 52.58 -67.83 -38.85 18.14 0.50 81.36 3.81 2.05 12.57 77.51 3.39 0.15 0.28 0.25 38 Y H H 132.86 2.71 13.18 16.50 96.11 51.89 -72.97 -35.29 37.01 1.54 61.45 14.99 6.70 16.69 56.34 3.62 0.19 0.69 0.77 39 T H H 70.32 4.81 11.84 18.04 97.35 55.16 -76.39 -31.92 35.06 2.43 62.51 19.63 5.81 11.40 53.73 7.03 0.10 1.35 0.94 40 R H H 141.52 3.67 12.42 17.37 94.41 64.92 -69.10 -29.65 31.79 2.10 66.10 12.62 4.99 14.28 51.07 14.79 0.16 1.38 0.71 41 R H H 151.64 2.54 12.77 16.19 95.83 58.01 -75.82 -26.26 34.36 2.77 62.88 11.84 5.51 16.58 47.64 15.48 0.21 1.92 0.82 42 F H H 120.08 4.76 11.04 17.15 102.21 50.70 -92.61 -4.13 36.41 9.72 53.87 15.18 7.09 15.44 41.06 11.35 0.56 6.77 2.55 43 V C H 89.71 4.94 10.47 16.95 108.70 92.04 -89.23 93.83 52.35 16.40 31.25 23.57 12.80 16.74 25.56 5.73 0.38 12.21 3.01 44 N C C 117.08 2.04 12.35 15.06 101.92 43.45 -93.94 40.47 62.32 17.77 19.91 31.36 11.16 19.93 15.14 4.95 0.15 15.25 2.07 45 I C C 93.32 5.77 8.51 16.15 116.22 153.35 -91.92 132.63 61.62 26.49 11.89 49.17 7.70 3.64 9.99 2.56 0.07 23.39 3.47 46 T C C 96.60 2.52 10.00 14.23 118.58 -166.74 -106.68 135.73 54.19 36.94 8.87 44.33 5.49 2.99 7.76 2.13 0.07 30.03 7.21 47 L C C 116.39 3.24 7.66 12.92 114.32 -151.55 -98.27 127.64 61.82 31.21 6.97 45.54 11.02 4.90 4.98 2.56 0.07 27.18 3.74 48 T C C 107.85 1.66 8.04 11.07 112.75 -167.96 -104.78 125.37 67.00 24.67 8.33 27.33 16.62 25.22 3.83 4.17 0.10 18.81 3.91 49 G C T 67.89 0.41 9.70 9.15 102.29 -11.76 75.22 5.77 91.51 2.62 5.87 15.83 24.18 51.95 1.43 4.06 0.01 1.80 0.74 50 G C S 58.06 1.70 8.89 11.80 110.17 -13.74 97.89 -3.35 88.07 5.93 6.01 23.33 36.14 29.39 1.13 4.59 0.01 4.08 1.34 51 K C C 156.47 1.38 9.77 12.12 116.11 90.03 -95.34 139.97 61.96 30.24 7.80 40.06 15.67 6.96 3.01 5.04 0.05 23.07 6.13 52 R C C 151.54 4.48 8.24 14.74 114.35 -115.76 -82.20 135.49 52.44 36.74 10.82 38.23 8.41 5.64 4.41 6.65 0.05 28.79 7.80 53 K C C 137.13 3.12 10.51 15.45 117.39 -148.45 -99.03 137.98 64.45 26.31 9.24 46.20 11.52 7.04 3.21 6.09 0.02 21.12 4.81 54 M C C 127.91 4.09 9.77 15.55 113.22 -115.56 -82.60 136.82 77.84 17.19 4.97 49.08 21.71 7.22 1.83 3.21 0.03 10.97 5.96 55 N C C 89.76 5.58 9.16 16.47 111.92 -127.44 -96.00 116.19 94.62 4.85 0.53 74.34 18.41 1.88 0.17 0.39 0.00 2.97 1.85 56 P C C 103.25 3.10 10.10 14.99 96.67 -150.42 -69.35 -17.99 95.97 2.56 1.47 47.23 36.54 12.34 0.28 1.22 0.00 1.40 0.99 57 N C C 112.38 2.42 9.66 13.63 109.20 62.07 -100.13 97.84 96.07 2.73 1.19 55.19 34.76 6.14 0.23 0.96 0.00 1.28 1.43 58 P C C 95.99 4.21 7.97 14.13 106.14 -153.15 -71.23 117.04 94.94 1.80 3.26 47.07 12.12 35.56 0.45 3.11 0.00 1.06 0.64 59 G C C 59.03 1.73 9.64 12.57 108.11 -108.72 -70.04 25.03 94.91 2.03 3.06 57.49 5.43 32.18 0.57 2.28 0.00 1.34 0.71 60 A C C 81.03 3.12 10.72 15.47 111.68 -73.93 -88.38 129.92 99.09 0.79 0.12 98.12 0.80 0.30 0.03 0.05 0.00 0.52 0.19