# 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 R C C 170.63 2.38 9.73 13.91 115.88 -150.70 -97.81 134.04 99.47 0.49 0.04 99.36 0.22 0.07 0.01 0.01 0.00 0.25 0.08 1 H C C 157.43 1.51 7.23 10.40 115.68 -154.32 -97.10 132.44 91.08 5.66 3.26 81.23 2.15 7.95 1.27 1.48 0.00 3.78 2.14 2 G C C 60.92 1.25 7.32 9.77 114.70 -17.92 -109.71 157.75 89.59 6.46 3.95 51.86 18.14 19.91 1.03 2.90 0.00 4.09 2.05 3 S C C 97.16 0.99 7.04 9.12 114.08 -115.29 -97.54 131.44 85.88 8.25 5.87 50.55 19.14 16.59 1.69 4.15 0.01 5.14 2.72 4 G C C 59.49 1.60 6.87 10.05 114.71 -156.27 -110.70 151.57 83.73 8.28 7.99 52.18 19.23 12.81 3.01 4.82 0.01 4.98 2.95 5 S C C 94.33 1.20 7.29 9.76 115.27 -144.38 -101.05 133.99 77.99 7.54 14.47 47.27 15.74 15.59 6.26 7.82 0.03 4.77 2.53 6 G C C 57.71 1.78 7.33 10.65 115.23 -158.17 -113.91 154.42 72.38 6.70 20.93 40.99 16.06 16.18 8.97 11.39 0.05 4.29 2.06 7 A C C 92.64 1.46 7.35 10.20 108.96 -139.77 -91.06 106.99 62.44 8.66 28.90 36.35 13.77 13.29 11.73 16.69 0.06 6.23 1.89 8 W C C 205.34 1.22 7.00 9.53 110.93 65.99 -93.27 120.53 56.08 16.30 27.62 34.31 10.74 11.75 13.12 14.37 0.11 13.24 2.37 9 L C C 136.99 1.21 6.74 9.31 111.16 -141.47 -95.18 123.85 55.99 20.98 23.02 38.93 10.07 6.92 15.16 8.43 0.12 17.08 3.29 10 L C C 127.61 1.66 6.43 9.80 117.27 -138.71 -98.38 134.54 67.41 17.69 14.90 49.48 14.80 2.54 13.30 2.49 0.05 15.23 2.10 11 P C C 112.71 1.32 7.20 9.92 112.89 -110.08 -71.63 141.63 60.08 20.58 19.35 51.22 4.17 3.23 17.36 2.97 0.01 18.88 2.14 12 V C C 124.96 1.32 6.18 9.03 112.43 -146.69 -95.96 123.55 46.61 15.73 37.66 34.68 6.10 5.53 31.62 6.11 0.07 14.08 1.81 13 S C H 91.45 1.17 6.81 9.21 115.11 -153.62 -98.74 131.91 41.05 18.05 40.90 28.08 6.04 6.76 33.21 7.29 0.12 16.82 1.67 14 L H H 139.95 1.01 6.56 8.67 108.12 -147.51 -91.03 92.56 36.43 17.39 46.18 23.38 6.39 7.21 37.13 7.84 0.18 16.28 1.59 15 V H H 119.18 1.44 6.49 9.45 115.02 94.23 -98.62 130.22 40.22 18.22 41.56 27.94 6.16 6.22 35.05 5.78 0.13 16.85 1.87 16 K C C 158.99 1.33 7.67 10.29 114.65 -148.32 -97.11 128.02 48.46 16.54 35.00 34.34 6.54 6.77 31.09 4.46 0.11 14.67 2.02 17 R C C 172.40 1.89 6.78 10.55 114.78 -150.51 -96.93 131.79 61.23 11.22 27.55 42.97 8.41 8.40 25.07 3.99 0.06 9.29 1.81 18 K C C 167.85 1.02 8.01 9.98 111.32 -150.96 -95.70 116.88 70.80 8.67 20.53 46.45 11.07 11.73 18.22 3.96 0.04 6.92 1.60 19 T C C 100.94 2.32 6.70 10.95 119.30 -145.54 -108.72 140.53 76.25 9.51 14.24 51.79 11.79 11.64 11.40 3.85 0.04 7.29 2.20 20 T C C 115.97 1.15 8.00 10.28 114.09 -152.72 -100.82 128.03 80.87 10.32 8.81 53.62 16.52 10.46 6.22 3.01 0.03 7.29 2.85 21 L C C 126.78 1.97 7.08 10.90 116.35 -145.16 -97.41 136.25 88.75 8.85 2.40 59.68 26.60 2.70 1.56 0.92 0.01 5.06 3.47 22 A C C 80.85 2.11 8.39 12.22 116.06 -113.73 -80.92 142.67 97.15 2.06 0.78 89.03 7.50 0.79 0.50 0.25 0.00 1.27 0.67 23 P C C 105.19 2.43 8.47 12.73 110.23 -105.59 -68.43 143.92 82.17 2.65 15.18 61.61 7.43 13.06 8.75 6.33 0.00 1.55 1.27 24 N C C 121.15 2.14 8.54 12.27 107.79 -123.16 -88.87 107.19 79.99 2.23 17.78 53.99 11.05 14.73 10.25 7.63 0.00 1.20 1.14 25 T C C 95.74 3.04 8.05 12.88 105.25 -167.10 -88.89 20.85 68.95 4.01 27.04 46.85 11.30 10.70 15.97 11.23 0.02 2.27 1.66 26 Q C C 138.20 1.71 8.88 11.85 103.41 93.44 -82.56 9.92 68.43 5.46 26.11 46.11 11.55 10.66 17.37 8.93 0.03 3.31 2.03 27 T C C 103.41 1.98 8.83 12.18 105.91 71.02 -88.92 35.55 74.90 5.82 19.28 52.64 11.51 10.24 13.45 6.28 0.02 3.50 2.36 28 A C C 79.36 2.80 8.45 12.93 105.65 105.23 -85.12 52.38 84.66 3.86 11.49 57.67 17.10 9.74 7.71 3.84 0.01 2.09 1.83 29 S C C 83.71 2.13 9.69 13.37 115.11 79.26 -100.36 125.93 96.03 2.48 1.49 64.92 29.72 1.50 0.99 0.45 0.00 1.08 1.33 30 P C C 86.79 3.86 9.18 14.94 115.84 -106.84 -68.76 150.19 94.51 0.67 4.82 83.17 7.73 3.12 4.60 0.73 0.00 0.31 0.34 31 P C C 89.44 3.57 9.97 15.26 110.55 -101.49 -67.49 149.03 79.01 0.96 20.03 66.53 4.33 6.77 19.35 2.11 0.00 0.46 0.45 32 S C C 72.10 2.67 10.76 14.56 108.32 -114.44 -77.50 151.81 56.28 1.85 41.87 45.64 5.17 5.82 38.78 2.93 0.00 0.91 0.74 33 Y H H 156.74 2.71 10.24 14.19 96.25 -103.35 -67.93 -35.20 14.50 0.87 84.63 10.75 2.59 3.30 80.18 2.34 0.01 0.67 0.17 34 R H H 151.78 1.89 12.06 14.66 94.41 55.67 -66.93 -38.34 6.88 1.17 91.95 4.74 1.22 2.10 88.51 2.17 0.01 1.10 0.15 35 A H H 59.03 2.19 12.48 15.38 93.25 51.86 -65.20 -40.60 5.64 1.34 93.01 3.61 0.97 1.85 89.78 2.29 0.02 1.32 0.16 36 L H H 94.58 1.96 12.58 15.00 93.11 50.45 -65.35 -41.10 5.38 1.33 93.29 3.26 0.95 1.83 90.49 1.99 0.02 1.28 0.17 37 A H H 55.17 2.50 11.34 15.09 92.90 51.17 -65.35 -40.21 7.19 1.27 91.54 3.85 1.21 2.80 88.59 2.13 0.03 1.21 0.18 38 D H H 88.35 1.87 11.70 14.16 93.41 52.16 -66.71 -37.73 9.91 1.13 88.96 4.66 1.51 4.27 85.09 3.18 0.02 1.06 0.19 39 S H H 75.89 1.48 10.55 12.53 93.57 53.83 -68.09 -33.88 14.92 1.03 84.05 4.67 1.75 8.68 79.87 3.86 0.03 0.93 0.21 40 L H H 125.20 1.34 9.02 11.14 95.57 54.61 -74.35 -23.75 27.56 1.35 71.09 7.30 2.94 17.29 67.86 3.14 0.05 1.08 0.34 41 M C H 139.05 1.50 7.92 10.59 99.78 60.21 -83.58 -4.20 53.80 1.87 44.33 26.09 2.61 24.72 42.52 2.15 0.03 0.96 0.92 42 Q C C 131.28 2.29 9.90 13.72 105.89 108.96 -81.78 99.94 99.49 0.23 0.28 98.32 0.56 0.64 0.23 0.04 0.00 0.13 0.07