# 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 Y C C 121.56 8.83 12.67 22.48 118.84 -161.36 -103.27 134.89 97.00 2.94 0.07 96.03 1.21 0.16 0.03 0.02 0.00 1.48 1.06 1 S C C 57.43 5.71 11.02 18.63 120.96 -160.98 -113.04 137.75 97.57 2.14 0.29 95.20 1.83 0.66 0.10 0.12 0.00 1.06 1.03 2 P C T 101.90 3.78 9.85 15.48 96.45 -126.39 -66.91 -19.68 97.91 0.81 1.28 28.24 17.64 51.91 0.17 1.24 0.00 0.51 0.28 3 T C T 113.67 1.27 11.44 12.94 100.18 55.51 -91.32 -1.70 96.11 2.10 1.79 24.31 23.64 48.02 0.20 1.85 0.00 1.19 0.78 4 S C C 55.09 6.41 8.83 17.02 118.06 88.07 -99.27 137.52 94.66 4.46 0.89 54.59 37.59 2.15 0.22 0.65 0.00 1.63 3.17 5 P C C 92.80 4.36 11.27 17.42 105.63 -119.10 -70.02 125.93 95.29 1.84 2.88 40.84 18.93 35.17 0.31 3.02 0.00 1.06 0.68 6 S C C 76.82 3.62 13.36 18.43 114.41 66.62 -90.89 129.81 90.14 6.38 3.48 37.53 19.51 33.27 0.46 3.38 0.00 3.34 2.50 7 Y C C 109.70 10.06 10.42 21.38 117.90 -146.87 -103.01 135.83 83.49 14.52 1.99 59.47 17.89 4.16 0.57 1.51 0.00 5.22 11.18 8 S C C 46.82 5.98 13.55 21.39 126.96 -163.73 -119.40 149.28 91.74 7.94 0.32 76.74 12.03 1.89 0.10 0.23 0.00 2.82 6.18 9 P C T 99.88 4.87 11.35 18.05 91.54 -116.95 -63.00 -21.88 99.33 0.29 0.38 2.50 8.33 88.40 0.02 0.42 0.00 0.22 0.10 10 T C T 114.98 0.97 13.51 13.79 95.18 53.87 -89.63 -3.96 99.31 0.33 0.36 3.19 9.29 86.75 0.02 0.40 0.00 0.25 0.09 11 S C S 42.63 8.53 8.20 18.42 116.41 97.73 -84.43 137.35 93.61 6.07 0.31 43.03 49.37 1.17 0.07 0.23 0.00 1.94 4.17 12 P C C 103.50 2.76 12.39 16.54 98.44 -126.51 -67.73 -15.02 96.09 2.56 1.35 48.11 19.60 28.16 0.16 1.56 0.00 1.54 0.88 13 S C C 74.87 3.53 13.75 18.70 117.44 63.89 -93.99 140.48 92.39 6.02 1.59 50.47 16.46 25.49 0.22 1.69 0.00 3.38 2.29 14 Y C C 103.23 11.60 10.43 22.51 118.42 -142.34 -103.62 136.54 83.32 15.76 0.91 66.54 12.69 2.21 0.27 0.68 0.00 5.52 12.10 15 S C C 45.74 6.08 14.18 22.22 125.08 -173.09 -123.93 138.56 91.83 7.99 0.18 79.88 10.09 1.27 0.05 0.14 0.00 3.10 5.46 16 P C T 92.53 6.16 11.81 19.78 92.09 -129.52 -64.04 -20.87 99.17 0.48 0.36 4.40 11.66 82.98 0.02 0.43 0.00 0.37 0.14 17 T C T 111.83 1.15 14.35 15.01 95.20 56.01 -90.05 -5.73 99.07 0.59 0.34 5.61 12.77 80.58 0.02 0.42 0.00 0.44 0.16 18 S C C 37.73 9.22 8.58 19.47 115.31 99.75 -82.22 130.47 93.34 6.41 0.25 54.27 37.93 1.03 0.06 0.20 0.00 2.10 4.41 19 P C T 99.70 3.08 12.96 17.43 96.63 -132.30 -65.80 -20.97 95.45 2.10 2.45 19.62 14.79 60.38 0.22 2.83 0.00 1.40 0.75 20 S C T 72.05 4.27 14.34 19.74 104.66 62.29 -89.41 39.55 94.17 3.23 2.60 21.26 14.40 58.02 0.29 2.75 0.00 2.08 1.19 21 Y C C 95.08 11.59 10.84 22.90 111.85 99.38 -90.74 113.69 86.52 10.97 2.51 59.67 18.80 6.71 0.51 2.23 0.00 4.01 8.07 22 S C C 44.13 6.03 14.35 22.26 127.56 148.21 -127.16 146.46 89.81 9.87 0.33 68.53 18.37 2.07 0.11 0.24 0.00 3.05 7.64 23 P C T 95.49 5.63 11.66 19.10 91.36 -122.02 -63.91 -21.22 98.99 0.55 0.46 4.78 13.43 80.63 0.04 0.52 0.00 0.40 0.20 24 T C T 115.08 0.89 14.00 13.96 95.06 56.50 -89.56 -5.44 98.87 0.72 0.41 6.19 14.72 77.82 0.04 0.47 0.00 0.53 0.22 25 S C C 43.18 8.42 8.54 18.67 115.31 95.18 -84.55 131.46 93.29 6.32 0.39 46.20 45.38 1.51 0.10 0.29 0.00 2.31 4.21 26 P C C 100.65 3.10 12.54 17.14 100.98 -127.11 -68.57 -1.93 94.76 3.27 1.97 52.55 19.60 22.21 0.26 2.18 0.00 1.92 1.28 27 S C C 69.41 4.68 13.21 19.44 119.02 74.20 -101.25 139.95 89.19 8.45 2.36 52.99 16.06 19.87 0.39 2.41 0.00 4.51 3.78 28 Y C C 113.86 9.62 11.03 21.60 116.58 -150.09 -100.70 131.25 81.90 16.53 1.57 63.07 13.59 3.28 0.49 1.15 0.00 6.51 11.90 29 S C C 46.35 6.10 13.32 21.35 126.70 -165.68 -125.61 146.12 88.85 10.77 0.38 72.27 13.72 2.04 0.13 0.27 0.00 3.85 7.73 30 P C T 96.22 5.40 11.38 18.53 92.08 -119.63 -64.00 -19.92 98.93 0.54 0.53 5.63 13.36 79.83 0.05 0.54 0.00 0.40 0.19 31 T C T 112.59 1.17 13.22 14.07 95.86 55.42 -88.39 -6.75 98.57 0.86 0.56 6.70 14.93 76.85 0.06 0.57 0.00 0.64 0.25 32 S C C 50.82 7.10 9.17 18.12 115.21 90.63 -90.84 122.84 92.27 7.14 0.58 47.52 43.20 1.49 0.17 0.39 0.00 2.74 4.50 33 P C C 92.80 4.14 11.39 17.42 107.80 -128.02 -67.15 141.59 94.15 3.38 2.47 60.40 13.37 19.90 0.32 2.69 0.00 2.12 1.20 34 S C C 82.43 3.03 13.12 17.57 110.71 -125.31 -90.79 105.17 88.88 7.92 3.19 49.64 17.63 21.68 0.48 3.12 0.00 4.84 2.61 35 Y C C 111.05 9.51 9.84 20.33 118.64 109.72 -107.93 130.45 75.82 22.07 2.11 57.88 12.67 3.14 0.87 1.36 0.01 8.51 15.56 36 S C C 60.78 5.06 13.06 19.81 120.87 -165.44 -108.60 138.44 92.23 7.33 0.45 82.32 8.67 1.02 0.14 0.34 0.00 4.10 3.42 37 P C T 88.25 6.73 10.34 18.42 101.03 -113.87 -66.53 -5.29 94.15 3.30 2.55 37.16 19.26 38.01 0.40 2.18 0.00 2.11 0.89 38 T C T 108.04 1.98 11.61 14.38 103.24 60.86 -89.07 15.49 93.02 4.32 2.66 32.52 23.03 37.85 0.43 2.27 0.00 2.48 1.42 39 S C C 69.52 4.38 8.65 14.92 115.60 54.12 -94.13 130.06 94.51 4.80 0.69 54.14 39.13 1.50 0.21 0.46 0.00 2.27 2.28 40 P C C 98.64 3.74 8.49 14.16 109.71 -112.63 -67.49 144.77 95.90 3.07 1.04 92.37 1.65 1.99 0.33 0.50 0.00 1.51 1.64 41 S C C 88.25 2.32 10.93 14.89 111.79 -132.22 -91.10 132.72 99.44 0.51 0.05 99.13 0.27 0.15 0.01 0.01 0.00 0.33 0.08