# 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 L C C 117.26 4.04 11.33 16.84 110.32 -154.34 -89.13 119.21 99.77 0.22 0.01 99.59 0.21 0.03 0.00 0.00 0.00 0.11 0.05 1 I C C 104.61 4.34 8.79 15.07 115.93 -152.44 -97.46 128.58 95.24 2.90 1.86 93.27 1.73 0.65 1.71 0.20 0.00 1.60 0.83 2 P C C 100.06 2.31 10.51 14.34 111.94 -115.35 -70.17 139.47 85.33 5.74 8.94 77.80 4.12 3.08 8.10 1.40 0.00 3.72 1.78 3 V C C 88.51 5.82 7.65 15.10 114.60 -149.05 -94.89 138.20 71.41 3.19 25.41 56.39 8.49 5.16 24.69 2.50 0.00 1.63 1.13 4 S C C 65.56 2.24 11.57 14.58 116.28 -131.22 -85.87 158.38 62.93 2.21 34.86 51.62 5.54 4.46 34.50 2.03 0.00 1.08 0.76 5 L H H 117.79 2.50 10.30 14.21 93.58 -110.47 -61.84 -35.87 9.09 0.23 90.68 5.08 1.87 2.90 87.92 2.02 0.01 0.13 0.07 6 V H H 96.11 1.67 12.11 14.07 92.64 52.27 -65.14 -40.36 4.41 0.16 95.43 2.10 0.73 1.85 93.13 2.01 0.01 0.12 0.04 7 D H H 79.11 2.64 13.12 16.66 92.23 50.52 -66.21 -39.56 3.80 0.15 96.06 2.05 0.57 1.45 93.73 2.05 0.01 0.11 0.03 8 L H H 81.40 3.68 12.70 17.76 92.32 50.86 -65.43 -40.95 3.39 0.13 96.48 1.78 0.55 1.37 94.84 1.34 0.01 0.09 0.03 9 I H H 89.28 2.72 14.18 17.62 92.16 50.08 -64.82 -41.36 4.09 0.13 95.78 2.03 0.63 1.71 94.71 0.81 0.01 0.07 0.04 10 N H H 89.15 2.33 15.15 17.72 92.36 50.35 -65.62 -40.07 6.82 0.12 93.05 2.99 0.82 3.14 92.17 0.76 0.01 0.06 0.05 11 I H H 88.24 2.93 14.78 18.31 92.34 50.69 -65.46 -41.37 5.98 0.10 93.92 2.37 0.80 2.79 93.38 0.57 0.00 0.05 0.03 12 N H H 83.58 3.10 15.11 18.91 92.87 50.65 -65.67 -39.67 6.72 0.12 93.16 3.02 0.72 2.96 92.75 0.44 0.00 0.06 0.04 13 I H H 88.67 2.96 14.98 18.54 92.29 50.35 -65.28 -41.47 2.81 0.04 97.14 1.26 0.28 1.27 96.90 0.25 0.00 0.02 0.01 14 I H H 92.60 2.42 15.35 17.99 92.03 49.75 -64.65 -42.03 0.92 0.02 99.06 0.41 0.09 0.40 98.94 0.14 0.00 0.01 0.00 15 F H H 113.52 2.36 15.30 17.82 92.03 49.57 -64.86 -41.69 0.58 0.01 99.41 0.21 0.06 0.28 99.33 0.12 0.00 0.00 0.00 16 Y H H 122.69 2.75 15.13 18.40 92.12 49.71 -65.03 -41.18 0.43 0.00 99.56 0.13 0.04 0.23 99.51 0.09 0.00 0.00 0.00 17 I H H 89.08 2.74 15.13 18.45 92.04 49.33 -64.76 -41.70 0.35 0.00 99.65 0.09 0.03 0.19 99.63 0.06 0.00 0.00 0.00 18 L H H 92.46 2.11 15.41 17.52 91.93 49.64 -64.56 -41.52 0.36 0.00 99.63 0.08 0.02 0.20 99.63 0.06 0.00 0.00 0.00 19 L H H 90.52 2.37 15.06 17.73 91.98 49.49 -65.06 -41.04 0.60 0.00 99.40 0.10 0.04 0.38 99.38 0.10 0.00 0.00 0.00 20 L H H 87.81 3.00 14.72 18.48 92.13 49.92 -65.07 -41.03 0.83 0.00 99.16 0.13 0.05 0.54 99.12 0.15 0.00 0.00 0.00 21 Y H H 128.20 2.31 15.13 17.64 92.19 49.45 -65.55 -40.78 1.18 0.01 98.81 0.25 0.09 0.72 98.68 0.26 0.00 0.00 0.00 22 T H H 72.36 2.21 15.14 17.45 92.26 49.69 -65.16 -41.11 1.72 0.01 98.27 0.35 0.13 1.10 97.94 0.47 0.00 0.01 0.00 23 L H H 88.90 2.63 14.44 17.65 92.24 50.29 -65.25 -40.71 2.08 0.01 97.91 0.34 0.15 1.40 97.10 1.00 0.00 0.00 0.00 24 L H H 89.65 3.28 13.64 18.00 92.41 50.85 -66.00 -38.94 2.46 0.01 97.54 0.27 0.15 1.83 95.43 2.31 0.00 0.00 0.00 25 L H H 102.10 2.10 14.22 16.58 92.56 51.33 -67.19 -36.74 6.21 0.01 93.78 0.27 0.24 5.60 88.76 5.12 0.00 0.00 0.00 26 F H H 132.75 1.77 14.39 15.96 94.65 47.67 -73.09 -34.52 24.26 0.02 75.72 0.49 0.70 23.24 71.25 4.28 0.02 0.01 0.01 27 F H H 107.05 3.99 13.33 18.54 96.45 46.58 -80.09 -27.76 23.64 0.03 76.33 1.09 1.42 20.76 73.95 2.74 0.02 0.01 0.03 28 I H H 84.20 4.14 13.43 19.06 92.44 64.68 -62.83 -43.24 4.61 0.02 95.37 1.58 0.79 2.02 94.46 1.13 0.00 0.01 0.01 29 P H H 78.46 2.06 15.69 17.62 92.19 49.92 -64.60 -39.87 2.13 0.01 97.85 0.76 0.16 1.06 96.84 1.16 0.00 0.01 0.00 30 L H H 93.43 2.35 15.45 17.99 92.44 49.53 -65.53 -40.79 0.74 0.00 99.25 0.18 0.06 0.41 98.26 1.08 0.00 0.00 0.00 31 F H H 103.48 4.07 14.72 19.95 92.44 49.49 -65.35 -41.66 0.78 0.01 99.21 0.20 0.07 0.42 98.72 0.58 0.00 0.00 0.00 32 L H H 89.76 2.83 15.62 19.00 92.12 49.65 -64.86 -40.86 1.31 0.01 98.69 0.26 0.11 0.79 98.31 0.52 0.00 0.00 0.00 33 A H H 57.51 2.24 16.14 18.35 91.82 50.86 -64.63 -40.77 4.01 0.01 95.98 0.51 0.32 2.86 95.61 0.68 0.01 0.01 0.01 34 S H H 56.02 3.17 15.90 19.75 92.28 50.41 -65.90 -40.02 10.05 0.03 89.92 1.24 0.74 7.56 89.58 0.85 0.01 0.01 0.02 35 I H H 80.57 4.37 14.90 20.49 92.35 50.83 -65.20 -41.17 8.31 0.09 91.61 3.19 1.24 3.94 90.59 0.95 0.01 0.03 0.04 36 N H H 88.31 2.54 16.38 19.08 92.29 51.16 -64.55 -40.79 6.12 0.06 93.82 2.69 0.78 2.67 92.93 0.88 0.00 0.02 0.02 37 Y H H 129.76 1.90 16.57 17.92 92.26 49.84 -65.25 -41.19 4.55 0.04 95.41 1.50 0.57 2.46 94.42 1.00 0.01 0.02 0.02 38 T H H 61.91 4.21 15.37 20.76 92.40 49.62 -65.22 -41.46 3.32 0.04 96.65 1.10 0.41 1.79 95.90 0.77 0.00 0.02 0.01 39 Y H H 112.54 4.10 15.32 20.45 92.17 50.17 -64.67 -41.17 1.86 0.02 98.13 0.55 0.22 1.03 97.68 0.51 0.00 0.01 0.00 40 H H H 107.22 2.13 16.24 18.16 92.18 50.30 -64.91 -41.18 1.54 0.02 98.44 0.40 0.16 0.92 98.06 0.44 0.00 0.01 0.00 41 Y H H 121.08 2.43 15.81 18.37 92.31 49.73 -65.27 -41.63 1.69 0.02 98.29 0.37 0.17 1.10 97.81 0.53 0.01 0.01 0.00 42 I H H 78.20 4.40 14.30 19.99 92.47 49.17 -65.36 -41.67 1.68 0.02 98.30 0.34 0.17 1.10 97.81 0.56 0.00 0.01 0.00 43 Y H H 119.96 3.07 14.48 18.33 92.69 49.18 -65.78 -40.41 2.58 0.03 97.38 0.53 0.27 1.74 96.29 1.15 0.01 0.02 0.01 44 K H H 120.81 1.88 15.04 16.77 92.79 50.36 -66.42 -39.66 5.64 0.04 94.32 0.83 0.50 4.26 92.55 1.81 0.02 0.02 0.02 45 Y H H 127.98 2.72 14.07 17.39 93.75 46.92 -69.75 -38.51 9.61 0.07 90.31 1.61 1.10 6.98 87.99 2.23 0.03 0.03 0.03 46 Y H H 120.16 3.89 12.81 17.91 95.27 46.61 -72.01 -36.26 20.04 0.32 79.65 5.36 3.45 12.10 76.06 2.67 0.07 0.14 0.15 47 N H H 90.82 3.14 12.84 17.04 95.68 52.00 -71.50 -31.38 30.93 0.40 68.67 11.19 4.19 15.99 65.04 3.16 0.03 0.20 0.19 48 Y H H 140.24 2.51 12.68 15.94 96.21 57.21 -72.31 -33.70 30.98 0.55 68.47 10.43 5.97 15.87 61.97 5.16 0.07 0.28 0.26 49 N H H 91.53 3.54 12.39 17.12 97.96 52.69 -75.23 -22.34 31.89 0.54 67.56 14.31 4.99 13.60 61.49 5.06 0.03 0.28 0.24 50 Y H H 124.40 4.24 11.06 16.87 96.27 61.98 -71.45 -31.63 24.65 0.65 74.69 10.82 5.07 10.20 65.73 7.50 0.05 0.36 0.27 51 N H H 96.45 2.68 11.98 15.68 96.30 57.00 -71.36 -30.46 25.75 0.68 73.57 12.63 4.36 9.99 65.05 7.29 0.03 0.39 0.26 52 F H H 122.28 3.30 10.47 15.15 96.03 57.12 -74.10 -28.79 26.12 1.08 72.80 12.42 5.09 10.26 63.29 7.85 0.06 0.63 0.40 53 I H H 108.89 3.17 9.53 14.15 98.06 58.14 -78.46 -22.30 29.43 1.46 69.11 13.15 6.37 12.11 61.17 5.73 0.10 0.81 0.57 54 N H H 116.18 1.96 9.06 12.31 101.42 58.83 -85.41 5.64 45.92 1.00 53.08 19.09 7.93 20.48 47.76 3.72 0.04 0.44 0.53 55 N C C 118.55 2.03 8.12 11.67 102.93 75.04 -87.15 34.72 73.45 0.52 26.04 47.98 2.98 21.11 25.38 2.00 0.00 0.22 0.34 56 N C C 119.70 2.40 10.35 14.29 105.03 79.44 -83.80 53.48 99.93 0.02 0.05 99.73 0.10 0.13 0.03 0.00 0.00 0.01 0.00