# 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 86.02 2.25 11.13 14.62 113.57 -147.13 -88.47 133.98 99.91 0.07 0.02 99.69 0.19 0.07 0.01 0.00 0.00 0.03 0.01 1 T C C 99.50 3.32 7.73 13.03 114.29 -147.72 -96.75 130.91 97.19 1.15 1.66 89.86 1.60 6.13 0.44 0.83 0.00 0.61 0.53 2 L C C 137.03 1.43 8.42 11.00 102.11 -159.65 -86.94 -5.07 94.87 3.40 1.73 53.72 30.41 10.64 0.39 1.45 0.00 1.67 1.72 3 F C C 133.53 3.86 7.05 12.85 120.20 67.41 -109.04 135.04 95.23 4.19 0.58 48.96 45.10 1.53 0.18 0.37 0.00 1.88 1.98 4 P C C 92.23 3.10 10.17 14.96 114.43 -109.84 -69.31 151.36 95.47 2.45 2.08 75.96 11.84 7.44 0.38 1.94 0.00 1.54 0.89 5 S C C 87.42 2.25 10.25 14.19 113.73 -116.40 -86.24 135.11 90.07 6.67 3.26 65.62 14.69 9.22 0.64 2.99 0.00 3.67 3.17 6 L C C 110.32 5.43 8.41 15.53 107.38 -151.54 -94.06 71.65 88.12 9.63 2.25 62.55 20.76 4.30 0.60 1.86 0.00 5.06 4.86 7 F C C 149.20 2.30 10.93 14.77 118.53 140.93 -103.88 135.01 90.31 9.30 0.40 61.57 28.53 0.90 0.16 0.26 0.00 5.67 2.91 8 P C C 83.83 5.91 8.80 16.48 114.64 -109.96 -67.54 147.02 89.48 8.70 1.82 78.59 8.02 2.59 0.68 1.12 0.00 5.83 3.17 9 R C C 158.64 2.82 9.81 14.41 115.76 -133.91 -92.71 138.81 78.47 17.46 4.07 62.68 10.12 3.87 1.95 2.26 0.01 8.09 11.03 10 V C C 118.34 2.20 8.51 12.24 104.89 -138.15 -86.41 45.48 73.83 16.11 10.06 35.15 25.77 14.46 3.18 6.43 0.16 9.33 5.52 11 T C C 94.59 2.50 8.39 12.44 115.07 75.06 -103.35 138.23 73.55 16.21 10.24 31.91 25.33 18.03 3.02 6.68 0.20 8.85 5.98 12 E C C 138.05 2.46 8.25 12.32 108.28 -130.49 -90.12 101.68 78.82 10.39 10.79 37.58 24.06 18.26 2.91 7.48 0.05 5.73 3.92 13 T C T 91.91 2.94 8.15 12.72 107.13 93.91 -88.60 66.65 82.69 3.44 13.88 29.18 21.90 32.46 2.83 10.31 0.01 1.71 1.59 14 L C T 131.95 1.57 8.94 11.47 98.21 -129.52 -77.64 -18.07 81.50 3.20 15.30 16.02 23.59 42.39 3.04 11.64 0.02 1.71 1.58 15 W C T 181.82 2.20 9.26 12.55 103.21 49.70 -93.82 -4.14 76.55 9.58 13.87 21.67 23.46 32.89 2.76 10.24 0.07 6.05 2.86 16 F C C 106.43 5.65 7.60 15.10 120.92 64.27 -113.86 132.73 57.56 36.18 6.27 36.92 13.19 6.95 2.47 4.07 0.20 20.90 15.31 17 N C C 90.27 3.63 10.72 16.12 112.59 -163.72 -106.63 115.49 70.27 26.80 2.93 59.69 5.32 3.31 1.26 1.81 0.00 19.15 9.45 18 L C T 115.15 4.32 8.56 14.85 96.83 -161.03 -75.72 -14.40 91.91 5.46 2.63 18.14 15.43 58.65 0.69 1.80 0.01 3.79 1.49 19 D C T 124.01 0.94 11.05 11.76 96.99 63.65 -84.37 -4.15 96.26 2.36 1.38 12.26 28.02 56.15 0.20 1.14 0.00 1.71 0.51 20 R C S 149.81 2.53 10.42 14.57 117.80 71.06 -106.62 133.38 94.16 5.32 0.52 38.59 54.50 1.72 0.15 0.34 0.00 3.05 1.64 21 P C C 90.53 4.15 9.62 15.74 113.44 -112.95 -68.61 145.88 87.81 8.48 3.70 71.61 8.70 6.89 1.37 2.35 0.00 4.92 4.16 22 C C C 82.37 5.15 8.98 15.94 113.55 -126.72 -90.77 130.97 83.98 9.00 7.03 52.49 21.18 10.45 2.90 3.88 0.02 4.17 4.90 23 V C C 92.34 4.53 9.81 16.14 113.00 -150.16 -96.38 128.33 83.59 5.47 10.94 57.32 18.34 7.91 6.51 4.46 0.01 2.79 2.65 24 E C C 116.19 3.07 11.04 15.49 110.74 -132.35 -83.75 132.89 74.39 1.92 23.69 58.44 9.17 6.14 20.37 4.07 0.00 0.91 0.89 25 E H H 127.84 3.00 10.51 14.98 95.71 -135.62 -66.75 -32.91 32.27 0.50 67.24 18.01 5.81 9.41 62.68 3.65 0.01 0.23 0.21 26 T H H 89.41 1.51 12.28 13.78 95.01 58.58 -68.41 -35.99 19.99 0.34 79.68 11.52 3.11 6.20 75.98 2.88 0.01 0.17 0.13 27 E H H 100.62 2.68 12.12 15.83 93.22 54.57 -66.86 -38.00 7.46 0.21 92.33 5.05 1.12 2.06 89.46 2.12 0.00 0.13 0.05 28 L H H 79.25 4.02 11.47 17.14 92.73 52.16 -65.31 -40.33 3.55 0.11 96.34 2.24 0.49 1.16 94.82 1.20 0.00 0.07 0.02 29 Q H H 104.18 1.91 14.37 16.32 92.18 51.51 -64.93 -40.27 2.79 0.08 97.13 1.57 0.36 1.03 96.12 0.86 0.00 0.05 0.01 30 Q H H 103.88 1.57 14.98 15.96 92.10 50.45 -65.36 -40.71 2.53 0.05 97.42 1.23 0.32 1.05 96.70 0.66 0.00 0.03 0.01 31 Q H H 92.66 2.63 14.03 17.35 92.20 50.30 -65.39 -40.20 2.31 0.03 97.66 1.04 0.29 0.96 97.19 0.49 0.00 0.01 0.01 32 E H H 94.38 3.08 13.63 17.75 91.99 51.63 -64.85 -39.79 2.40 0.02 97.58 1.08 0.26 0.98 97.29 0.36 0.00 0.01 0.01 33 Q H H 110.87 1.51 15.35 16.18 91.87 50.97 -65.00 -40.40 1.36 0.01 98.64 0.57 0.14 0.56 98.54 0.19 0.00 0.00 0.00 34 Q H H 106.98 1.56 15.30 16.12 92.14 50.08 -65.17 -40.57 0.69 0.00 99.30 0.24 0.06 0.31 99.29 0.10 0.00 0.00 0.00 35 H H H 101.35 2.75 14.08 17.57 92.03 49.68 -65.25 -40.67 0.56 0.00 99.44 0.19 0.04 0.26 99.42 0.08 0.00 0.00 0.00 36 Q H H 100.02 2.35 14.72 17.44 91.91 51.32 -64.26 -40.98 0.29 0.00 99.71 0.08 0.02 0.14 99.72 0.04 0.00 0.00 0.00 37 A H H 61.54 1.59 15.41 16.32 91.74 50.61 -64.33 -40.97 0.28 0.00 99.72 0.06 0.01 0.15 99.73 0.04 0.00 0.00 0.00 38 W H H 145.78 1.76 15.03 16.47 92.06 49.84 -64.96 -41.43 0.26 0.00 99.74 0.04 0.01 0.16 99.75 0.04 0.00 0.00 0.00 39 L H H 88.44 2.88 14.00 17.74 91.99 50.11 -64.36 -40.88 0.20 0.00 99.80 0.03 0.01 0.12 99.82 0.03 0.00 0.00 0.00 40 Q H H 107.11 1.67 15.29 16.52 91.76 50.23 -64.40 -40.83 0.25 0.00 99.75 0.03 0.01 0.15 99.77 0.03 0.00 0.00 0.00 41 S H H 59.79 1.65 15.08 16.21 91.96 50.47 -64.24 -41.44 0.54 0.00 99.46 0.06 0.03 0.35 99.50 0.07 0.00 0.00 0.00 42 I H H 86.95 2.38 13.64 16.64 92.00 49.57 -64.60 -41.34 0.48 0.00 99.52 0.07 0.03 0.29 99.49 0.12 0.00 0.00 0.00 43 A H H 54.94 3.00 12.30 16.63 91.86 51.13 -63.93 -40.25 0.90 0.00 99.10 0.12 0.06 0.59 98.97 0.27 0.00 0.00 0.00 44 E H H 130.57 1.07 13.86 14.00 92.56 50.01 -66.25 -38.30 3.50 0.01 96.49 0.30 0.22 2.80 96.00 0.66 0.00 0.01 0.00 45 K H H 137.78 1.36 12.79 13.94 93.12 51.43 -68.65 -34.28 9.75 0.04 90.22 0.54 0.67 8.49 89.29 0.96 0.03 0.02 0.02 46 D H H 81.68 4.37 9.54 15.56 98.18 44.66 -91.10 -0.61 37.85 0.20 61.95 4.57 2.49 30.10 59.11 3.46 0.04 0.09 0.14 47 N C T 112.81 2.64 9.49 13.98 93.88 92.03 -67.94 -19.85 70.47 0.30 29.24 3.04 3.17 63.67 21.80 7.90 0.02 0.13 0.26 48 N C T 136.96 0.57 11.97 11.28 96.51 52.18 -91.63 0.42 78.63 0.27 21.10 3.72 5.17 69.84 12.33 8.55 0.01 0.14 0.23 49 L C C 101.00 4.09 8.03 14.27 117.76 99.24 -89.13 140.47 90.76 2.22 7.01 44.52 40.06 6.34 3.46 3.09 0.00 0.73 1.78 50 V C C 118.84 1.55 11.49 13.99 114.00 -130.47 -90.00 129.87 96.96 2.84 0.20 79.94 16.65 0.57 0.07 0.12 0.00 1.77 0.86 51 P C C 91.12 5.42 8.41 15.89 113.79 -111.60 -67.94 143.85 93.58 5.74 0.68 86.12 5.73 1.76 0.20 0.48 0.00 3.80 1.91 52 I C C 129.94 2.29 9.08 12.88 108.79 -143.76 -92.74 102.71 72.22 26.72 1.06 42.67 23.51 6.82 0.38 0.82 0.01 14.43 11.35 53 G C C 54.45 1.79 8.88 12.09 123.13 -64.06 125.64 175.99 70.11 29.25 0.64 35.85 28.19 7.47 0.18 0.59 0.00 20.78 6.93 54 K C C 160.05 1.42 8.65 11.43 118.35 -65.98 -98.16 138.31 91.45 8.51 0.04 90.27 1.52 0.23 0.01 0.02 0.00 6.72 1.22 55 P C C 106.44 2.55 10.70 15.05 112.02 -100.18 -67.18 145.54 99.75 0.24 0.01 99.63 0.15 0.04 0.00 0.00 0.00 0.14 0.02