# 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 43.88 9.71 12.67 23.21 104.02 -125.07 -77.79 60.47 98.28 0.36 1.36 97.61 0.35 0.43 1.20 0.12 0.00 0.17 0.12 1 K H H 128.12 3.11 11.70 15.97 95.08 70.12 -67.50 -36.32 32.27 1.10 66.63 28.25 1.59 4.59 60.71 3.85 0.00 0.63 0.37 2 R H H 158.31 1.32 10.86 12.45 94.46 56.60 -67.46 -37.29 18.83 1.86 79.31 9.93 3.48 7.17 65.43 12.00 0.08 1.50 0.41 3 L H H 98.54 3.21 10.17 14.75 94.28 52.52 -68.62 -37.10 12.81 1.73 85.46 6.50 2.19 5.00 69.16 15.28 0.04 1.56 0.27 4 L H H 89.73 5.83 9.35 16.51 93.97 54.04 -70.26 -30.82 12.81 1.31 85.88 5.78 2.24 5.51 69.67 15.40 0.05 1.10 0.24 5 R H H 165.19 1.96 11.82 14.57 95.09 60.24 -74.19 -22.97 30.84 1.53 67.62 8.53 4.82 18.22 57.27 9.34 0.21 1.01 0.59 6 E C H 142.45 1.60 12.20 14.13 99.52 55.12 -87.42 -0.81 55.02 1.53 43.45 12.57 9.79 33.58 35.48 6.83 0.18 0.75 0.82 7 A C S 49.81 8.28 7.62 17.11 117.67 112.60 -84.28 144.64 96.17 0.97 2.86 41.69 52.18 2.28 2.34 0.52 0.00 0.30 0.70 8 P C C 82.44 3.60 12.09 17.10 114.61 -103.54 -66.48 151.12 89.08 0.48 10.43 71.00 8.87 9.14 7.25 3.19 0.00 0.22 0.32 9 P C C 95.51 3.93 11.54 17.05 110.59 -100.08 -68.22 138.69 72.82 1.29 25.88 41.81 11.07 19.81 17.91 8.04 0.01 0.62 0.72 10 F C C 123.09 6.95 9.30 17.40 110.45 -124.88 -87.28 109.44 58.33 5.54 36.13 34.27 10.18 14.55 25.73 9.80 0.06 3.33 2.08 11 T C H 87.75 4.46 10.69 16.68 110.96 101.20 -96.50 105.83 46.73 7.41 45.86 30.64 8.54 8.39 34.10 11.26 0.06 5.32 1.69 12 E H H 133.60 3.00 11.33 15.76 109.22 -131.40 -89.66 105.15 42.90 7.85 49.25 24.72 9.19 10.32 36.82 11.32 0.12 6.01 1.49 13 Q H H 123.40 3.31 11.19 15.96 111.50 -138.03 -89.83 116.17 44.13 8.93 46.94 27.35 7.95 9.92 35.60 10.42 0.11 6.89 1.78 14 V C H 76.05 7.84 8.36 17.44 114.62 -151.39 -94.36 130.91 50.68 7.40 41.92 34.86 9.76 7.37 35.48 5.58 0.06 5.03 1.85 15 D C C 89.86 3.72 11.35 16.40 112.51 -147.28 -90.15 126.08 61.47 3.74 34.79 47.41 6.47 7.31 30.16 5.10 0.01 2.48 1.07 16 E H H 134.76 3.46 10.18 15.26 98.04 -131.98 -71.27 -20.65 42.57 2.50 54.93 20.03 7.88 15.18 34.31 20.09 0.10 1.48 0.94 17 K H H 154.05 1.63 11.53 13.54 98.39 62.47 -80.39 -10.10 45.68 1.97 52.36 12.03 8.38 24.40 31.41 21.49 0.23 1.18 0.88 18 N C T 102.05 4.15 11.06 16.46 104.48 47.69 -95.44 30.82 54.18 2.63 43.19 19.81 10.03 25.27 22.58 19.44 0.16 1.39 1.32 19 F C C 91.29 9.41 8.05 18.38 115.83 115.31 -96.65 131.27 73.57 6.81 19.61 49.38 13.99 10.07 13.76 5.78 0.07 3.24 3.72 20 D C C 85.93 3.72 12.53 17.59 114.86 -157.40 -95.98 136.77 80.73 5.09 14.18 58.63 11.76 9.63 11.02 3.79 0.01 2.81 2.36 21 D C C 97.89 5.07 10.69 17.34 96.84 -137.56 -73.96 -15.60 58.40 3.36 38.23 33.51 13.85 11.93 25.93 11.50 0.07 1.70 1.51 22 K H H 141.03 2.12 12.40 15.29 96.80 67.27 -75.25 -23.46 40.52 2.49 56.99 11.97 8.40 20.03 33.62 23.25 0.26 1.48 0.98 23 D H H 83.34 4.59 11.84 17.79 100.02 59.29 -80.53 -13.34 38.37 3.70 57.93 12.77 7.49 18.08 33.80 24.00 0.29 2.40 1.16 24 Y H H 115.83 7.13 10.63 18.94 99.08 62.54 -77.94 -21.63 39.29 6.08 54.62 14.58 8.88 16.76 31.90 21.56 0.50 3.73 2.09 25 L C T 104.65 4.21 11.71 17.20 99.57 58.66 -79.10 -10.05 56.77 6.86 36.37 12.92 11.63 31.65 24.18 11.87 0.69 4.03 3.01 26 G C T 49.50 3.44 12.32 16.86 101.46 18.01 -10.94 -15.10 75.48 3.55 20.97 19.50 16.48 40.10 12.23 8.06 0.09 1.91 1.61 27 A C T 73.23 4.24 10.86 16.55 102.26 77.55 -82.61 6.88 75.03 3.24 21.73 20.13 17.27 38.22 9.73 11.04 0.11 1.56 1.94 28 G C T 51.29 3.64 12.56 17.50 106.50 3.90 62.56 8.38 77.73 3.79 18.47 22.06 18.41 37.93 7.52 10.15 0.09 1.99 1.86 29 A C C 76.77 3.72 12.03 17.13 107.30 64.39 -87.05 86.97 74.36 8.77 16.87 40.28 19.35 15.42 7.75 8.65 0.10 4.64 3.80 30 M C C 79.67 8.60 9.70 19.62 118.68 -115.29 -95.28 145.86 78.20 14.21 7.59 49.20 24.45 4.14 5.48 2.38 0.04 5.92 8.40 31 S C C 58.22 3.06 15.10 18.69 117.20 -113.19 -76.37 158.36 89.65 6.77 3.59 83.10 5.45 1.11 3.17 0.71 0.00 3.48 2.97 32 N H H 97.17 5.91 11.53 18.93 93.03 -107.49 -60.87 -37.06 4.91 0.11 94.98 2.44 1.28 1.82 93.33 1.04 0.01 0.05 0.04 33 E H H 128.78 1.27 14.92 15.34 92.66 53.20 -65.30 -39.78 1.85 0.05 98.10 0.47 0.30 1.12 96.98 1.07 0.01 0.03 0.01 34 Q H H 90.87 2.89 14.71 18.22 92.26 49.41 -65.73 -40.28 1.15 0.09 98.75 0.35 0.18 0.68 97.36 1.32 0.01 0.08 0.01 35 L H H 48.84 9.24 11.50 22.38 92.11 50.99 -64.59 -41.74 1.13 0.13 98.74 0.42 0.20 0.62 97.66 0.96 0.01 0.11 0.02 36 R H H 119.90 3.73 14.90 19.63 92.02 51.19 -64.47 -40.73 1.29 0.16 98.56 0.44 0.20 0.78 97.69 0.71 0.02 0.13 0.03 37 K H H 119.22 1.44 16.26 16.54 92.02 50.21 -64.93 -40.60 2.25 0.14 97.60 0.58 0.28 1.61 96.33 1.00 0.03 0.11 0.04 38 E H H 86.85 4.61 14.05 20.00 92.38 49.95 -66.10 -38.63 3.32 0.09 96.59 0.66 0.34 2.53 94.96 1.37 0.03 0.07 0.04 39 L H H 68.91 8.69 11.14 20.99 92.65 51.98 -68.21 -33.38 7.32 0.13 92.55 1.02 0.61 5.78 89.31 3.07 0.07 0.07 0.07 40 E H H 132.57 2.18 13.43 16.29 92.81 57.18 -69.59 -23.13 33.40 0.26 66.34 2.11 2.01 28.64 63.75 3.10 0.11 0.11 0.17 41 K C T 152.38 1.27 13.51 14.33 95.89 55.45 -85.07 -8.69 59.65 0.76 39.59 6.20 4.76 46.79 38.11 3.32 0.06 0.34 0.42 42 V C C 70.82 8.12 7.10 16.38 116.01 94.13 -87.03 135.52 79.59 6.72 13.69 46.11 26.29 6.63 12.32 1.75 0.04 2.12 4.74 43 E C C 135.39 1.76 11.64 14.26 114.85 -127.38 -83.59 137.23 93.02 3.35 3.64 77.95 10.68 4.11 2.35 1.32 0.00 1.71 1.88 44 P C T 104.30 3.27 9.48 14.67 110.00 -99.88 -63.86 139.65 85.51 1.77 12.71 21.46 11.96 52.59 5.92 6.24 0.01 0.96 0.87 45 G C T 57.82 2.01 11.62 14.50 102.64 21.92 84.57 -4.23 83.75 2.02 14.23 18.80 13.94 51.45 6.36 7.35 0.02 1.11 0.96 46 E C C 131.58 2.84 10.87 15.05 108.93 105.45 -90.33 88.95 73.37 6.47 20.16 45.70 16.19 11.48 9.73 10.49 0.04 3.38 3.00 47 A C C 60.44 7.34 8.52 17.23 115.53 90.17 -90.26 136.24 72.02 9.55 18.43 52.13 11.02 8.37 10.77 8.19 0.02 6.59 2.91 48 K C C 141.81 2.74 11.97 16.13 114.20 -153.71 -98.02 129.72 68.54 13.73 17.73 52.14 8.69 7.03 11.07 7.18 0.04 10.01 3.85 49 W C C 149.70 6.66 8.43 16.51 113.99 -148.79 -94.94 131.63 68.49 13.10 18.41 48.27 11.53 8.42 12.01 6.72 0.06 9.22 3.76 50 D C C 94.81 3.53 9.98 15.10 112.58 -149.96 -94.07 125.74 75.62 8.50 15.88 56.78 9.56 8.95 9.59 6.49 0.01 5.94 2.67 51 E C T 146.82 2.29 9.45 13.32 101.14 -144.38 -78.50 -10.30 77.06 4.82 18.12 23.39 18.51 36.42 8.80 8.24 0.09 2.88 1.66 52 E C T 149.21 1.46 10.06 12.21 104.61 62.10 -88.84 25.18 79.24 5.00 15.76 23.28 20.70 36.61 6.88 7.68 0.08 2.92 1.84 53 S C C 59.07 5.77 7.56 15.05 115.66 106.49 -93.58 136.45 92.92 3.55 3.53 52.47 37.87 3.17 1.35 1.80 0.00 1.64 1.69 54 P C C 98.04 2.86 9.80 14.33 108.15 -117.46 -70.82 141.71 91.45 3.65 4.89 66.18 11.80 13.39 1.17 3.81 0.00 2.22 1.43 55 L C C 125.92 2.69 8.71 13.13 108.69 -124.45 -86.12 118.76 86.50 9.36 4.15 54.28 20.04 11.99 1.02 3.33 0.00 4.42 4.90 56 I C C 115.05 3.43 8.05 13.42 116.91 -143.65 -99.85 131.41 90.97 8.37 0.66 62.49 27.92 1.20 0.25 0.40 0.00 3.82 3.91 57 P C C 102.80 2.07 9.80 13.39 115.63 -107.40 -71.23 148.59 98.22 1.64 0.14 90.09 7.82 0.44 0.04 0.09 0.00 0.96 0.56 58 P C C 101.33 2.64 8.83 13.44 115.14 -101.94 -66.08 148.62 99.20 0.61 0.19 93.87 4.80 0.56 0.07 0.08 0.00 0.30 0.32 59 P C C 102.61 2.79 8.60 13.38 112.80 -102.09 -68.18 147.32 98.15 1.15 0.70 90.31 6.47 1.29 0.33 0.28 0.00 0.43 0.88 60 Q C C 131.93 2.20 8.25 12.25 115.83 -115.81 -87.34 136.93 96.33 1.72 1.95 84.96 10.20 1.10 1.42 0.48 0.00 0.69 1.16 61 P C C 98.69 2.89 7.97 12.71 111.73 -108.40 -67.34 144.37 79.67 2.16 18.17 71.07 4.31 4.70 13.88 3.89 0.00 1.11 1.05 62 R C C 169.28 1.99 8.03 11.48 108.64 -125.24 -83.24 123.97 55.52 3.88 40.59 41.02 7.25 7.89 29.08 10.97 0.01 2.37 1.40 63 Q H H 133.19 1.86 8.39 11.50 103.87 60.36 -80.39 3.88 44.98 6.79 48.23 30.25 7.50 8.05 34.14 13.51 0.05 4.84 1.66 64 Y H H 157.06 2.98 7.83 12.35 105.35 65.44 -85.62 30.77 40.63 7.80 51.56 27.01 6.83 7.87 36.78 13.81 0.08 5.97 1.65 65 R C H 159.22 2.61 8.33 12.53 107.27 65.86 -86.34 90.31 47.42 6.69 45.88 29.21 9.01 10.75 34.82 9.64 0.09 4.77 1.71 66 N C C 110.13 2.92 7.87 12.45 107.49 55.80 -90.34 97.14 59.88 4.31 35.81 34.11 11.39 15.51 26.78 7.96 0.06 2.72 1.47 67 K C T 153.68 1.89 7.95 11.32 105.82 -159.90 -88.67 72.53 67.33 3.36 29.31 23.48 14.08 31.40 19.37 8.31 0.12 1.86 1.38 68 G C T 58.83 1.71 8.24 11.18 107.03 1.24 33.50 19.92 77.10 3.57 19.33 27.95 14.79 35.92 10.89 7.04 0.04 2.01 1.35 69 H C C 147.89 1.98 6.97 10.60 109.61 117.46 -90.55 103.20 84.57 3.70 11.74 69.30 3.19 12.89 6.10 4.51 0.00 2.27 1.74 70 Q C C 135.11 2.30 9.48 13.40 111.00 -149.05 -89.22 118.95 99.51 0.37 0.12 99.04 0.34 0.25 0.07 0.02 0.00 0.21 0.08