# 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 M C C 102.23 6.06 12.49 19.71 102.59 133.70 -77.09 1.96 99.90 0.02 0.08 99.84 0.05 0.05 0.05 0.00 0.00 0.01 0.00 1 Q H H 122.83 2.33 11.39 14.84 94.91 90.14 -67.88 -37.23 34.13 0.17 65.70 30.08 0.78 3.53 64.48 1.00 0.00 0.06 0.08 2 L H H 115.37 1.52 12.07 13.87 93.60 54.03 -65.95 -38.95 11.10 0.06 88.83 5.90 1.48 3.83 87.31 1.42 0.00 0.03 0.03 3 V H H 76.26 4.44 12.46 18.38 93.05 50.20 -66.11 -40.43 4.74 0.04 95.22 2.42 0.61 1.82 93.57 1.54 0.00 0.02 0.01 4 L H H 80.58 4.48 13.96 19.87 92.19 50.95 -65.15 -40.76 2.52 0.02 97.46 1.06 0.34 1.12 96.15 1.30 0.00 0.01 0.01 5 A H H 56.32 2.47 16.11 18.83 91.70 50.80 -64.15 -40.87 2.30 0.01 97.69 0.70 0.26 1.20 97.03 0.79 0.00 0.01 0.00 6 A H H 52.93 3.98 16.24 21.14 92.13 50.38 -64.94 -40.19 1.98 0.01 98.01 0.53 0.21 1.09 97.51 0.65 0.00 0.00 0.00 7 K H H 98.53 7.69 16.19 24.84 92.08 51.73 -64.61 -40.40 2.59 0.02 97.40 0.53 0.24 1.66 96.81 0.74 0.01 0.01 0.01 8 Y H H 132.00 3.76 18.55 22.74 92.21 49.66 -65.25 -41.49 2.95 0.02 97.03 0.60 0.30 1.89 96.39 0.80 0.01 0.01 0.01 9 I H H 103.10 2.12 21.24 22.21 91.91 48.76 -64.36 -42.20 2.98 0.02 96.99 0.64 0.33 1.85 96.40 0.75 0.01 0.01 0.01 10 G H H 25.37 8.24 17.74 27.14 92.10 49.88 -64.79 -41.70 4.68 0.02 95.30 0.78 0.44 3.19 94.27 1.30 0.01 0.01 0.01 11 A H H 40.18 9.62 17.85 28.36 91.85 50.90 -64.30 -40.87 6.04 0.02 93.94 0.82 0.58 4.41 91.54 2.61 0.02 0.01 0.01 12 G H H 35.66 4.06 21.08 25.13 91.72 51.14 -63.66 -41.98 9.54 0.04 90.42 1.31 0.89 7.00 86.99 3.74 0.03 0.02 0.02 13 I H H 90.07 4.17 22.31 26.37 91.95 48.99 -65.05 -40.99 13.19 0.13 86.68 2.97 1.78 8.62 81.31 5.13 0.05 0.07 0.06 14 S H H 34.50 12.16 17.87 30.59 91.95 51.84 -64.77 -40.79 20.44 0.36 79.20 7.06 2.84 11.18 73.68 4.82 0.05 0.20 0.16 15 T H H 64.53 6.62 21.08 28.00 92.03 50.21 -64.84 -40.68 24.57 0.59 74.84 9.53 3.12 12.78 69.21 4.71 0.06 0.32 0.27 16 I H H 97.82 2.68 23.38 25.07 91.71 50.05 -64.90 -41.84 13.46 0.46 86.08 4.62 2.40 7.58 79.34 5.51 0.11 0.26 0.19 17 G H H 24.14 9.42 17.86 28.34 92.12 51.16 -64.68 -41.49 12.79 0.27 86.94 3.27 1.71 8.23 80.25 6.16 0.10 0.18 0.10 18 L H H 68.49 10.04 18.76 29.26 92.15 50.22 -64.60 -41.00 11.88 0.19 87.94 2.66 1.52 7.96 81.89 5.72 0.07 0.11 0.07 19 L H H 98.46 2.70 22.40 24.21 91.84 49.68 -64.55 -40.88 9.71 0.12 90.17 2.12 1.34 6.43 87.24 2.73 0.04 0.06 0.05 20 G H H 33.12 4.58 20.37 25.20 92.19 49.68 -64.93 -41.13 10.46 0.06 89.48 2.44 1.23 6.62 87.97 1.68 0.01 0.02 0.03 21 A H H 34.11 10.82 16.92 28.78 91.92 51.26 -64.59 -40.79 6.17 0.03 93.81 1.10 0.68 4.06 92.83 1.29 0.01 0.01 0.01 22 G H H 33.05 5.96 19.63 26.27 91.88 51.52 -63.83 -41.50 4.47 0.02 95.51 0.76 0.42 2.99 94.85 0.96 0.01 0.01 0.01 23 I H H 100.15 2.22 22.17 23.12 91.87 48.79 -65.15 -41.52 2.38 0.01 97.61 0.35 0.20 1.58 97.31 0.56 0.00 0.00 0.00 24 G H H 24.88 7.36 18.20 26.70 91.99 51.24 -64.21 -41.85 1.94 0.00 98.06 0.27 0.13 1.25 98.08 0.27 0.00 0.00 0.00 25 I H H 63.94 9.56 18.23 28.54 91.92 49.87 -64.38 -41.30 0.65 0.00 99.35 0.09 0.04 0.36 99.42 0.09 0.00 0.00 0.00 26 A H H 54.41 4.30 19.55 24.29 91.71 51.57 -63.75 -41.05 0.28 0.00 99.72 0.04 0.01 0.15 99.75 0.05 0.00 0.00 0.00 27 I H H 97.34 3.00 20.64 23.04 91.93 49.16 -65.17 -41.45 0.23 0.00 99.77 0.02 0.01 0.14 99.78 0.05 0.00 0.00 0.00 28 V H H 59.14 7.93 17.98 26.63 92.09 49.15 -64.58 -42.27 0.24 0.00 99.76 0.02 0.01 0.16 99.77 0.04 0.00 0.00 0.00 29 F H H 88.18 7.85 18.13 26.83 91.85 48.90 -64.33 -41.66 0.22 0.00 99.78 0.02 0.01 0.13 99.80 0.04 0.00 0.00 0.00 30 A H H 54.62 3.67 19.10 23.01 91.52 51.14 -63.83 -41.10 0.21 0.00 99.79 0.01 0.00 0.14 99.79 0.06 0.00 0.00 0.00 31 A H H 54.18 4.18 19.04 23.24 91.90 50.69 -64.95 -40.63 0.54 0.00 99.46 0.02 0.02 0.41 99.42 0.14 0.00 0.00 0.00 32 L H H 64.68 9.13 16.78 26.77 92.15 50.03 -65.34 -41.02 1.41 0.00 98.59 0.09 0.05 1.09 98.51 0.25 0.00 0.00 0.00 33 I H H 77.39 6.43 17.43 24.83 92.18 49.49 -64.76 -41.20 3.48 0.01 96.51 0.39 0.28 2.59 96.18 0.55 0.01 0.00 0.01 34 N H H 93.11 2.07 19.22 20.25 92.16 50.29 -65.23 -40.16 8.15 0.04 91.81 0.90 0.68 6.40 89.93 2.03 0.02 0.02 0.02 35 G H H 27.54 5.26 15.39 22.10 92.26 51.60 -65.30 -39.38 12.82 0.06 87.12 1.37 1.15 10.05 83.39 3.94 0.04 0.03 0.03 36 V H H 53.34 9.18 12.44 23.07 92.80 51.90 -68.17 -35.15 13.82 0.09 86.09 1.67 1.57 10.44 80.25 5.91 0.06 0.04 0.05 37 S H H 73.33 3.33 14.01 18.36 92.13 56.28 -67.25 -28.36 26.79 0.09 73.12 2.26 2.38 21.64 68.87 4.70 0.05 0.04 0.06 38 R H H 174.85 1.12 14.39 14.70 95.08 47.24 -79.89 -25.36 41.81 0.12 58.07 2.30 6.59 32.53 55.48 2.86 0.08 0.04 0.12 39 N C C 74.85 4.98 11.13 18.11 112.71 27.49 -132.24 91.20 99.61 0.15 0.24 86.86 12.46 0.29 0.14 0.07 0.00 0.05 0.13 40 P H G 91.62 4.73 10.35 17.46 92.44 -168.71 -63.28 -25.54 19.10 0.05 80.85 2.07 1.28 13.41 4.02 79.18 0.00 0.03 0.01 41 S H G 89.84 1.02 14.35 14.72 90.85 65.72 -70.75 -17.59 17.34 0.05 82.60 1.23 1.15 13.29 4.29 80.00 0.00 0.03 0.01 42 I H G 60.56 8.38 10.62 20.87 96.25 59.25 -90.04 -1.79 14.55 0.09 85.36 5.10 1.68 6.38 8.44 78.31 0.00 0.06 0.02 43 K H H 95.69 10.43 11.72 23.16 92.66 98.05 -59.17 -41.93 7.82 0.02 92.15 2.00 0.84 4.17 73.05 19.91 0.00 0.01 0.01 44 D H H 114.26 1.11 17.20 17.16 91.74 50.97 -65.55 -36.23 6.58 0.01 93.40 0.57 0.37 4.80 74.38 19.87 0.00 0.01 0.00 45 T H H 81.76 2.74 16.99 19.71 94.78 49.29 -71.45 -36.39 7.87 0.02 92.12 0.63 0.45 5.79 73.41 19.70 0.01 0.01 0.01 46 V H H 33.42 13.62 12.56 26.88 93.54 50.49 -67.12 -40.35 4.51 0.01 95.48 0.42 0.42 3.39 92.11 3.65 0.00 0.00 0.00 47 F H H 96.67 7.80 16.64 25.35 92.06 53.32 -62.81 -42.47 1.11 0.00 98.89 0.33 0.13 0.53 98.34 0.67 0.00 0.00 0.00 48 P H H 78.14 2.12 19.78 20.80 91.73 50.09 -63.94 -41.32 0.56 0.00 99.44 0.14 0.03 0.31 98.97 0.55 0.00 0.00 0.00 49 M H H 88.69 5.35 18.98 24.85 92.31 49.19 -65.73 -40.46 0.24 0.00 99.76 0.04 0.01 0.15 99.26 0.54 0.00 0.00 0.00 50 A H H 22.34 14.45 14.55 29.76 91.83 51.49 -63.76 -41.83 0.29 0.00 99.71 0.05 0.02 0.18 99.62 0.14 0.00 0.00 0.00 51 I H H 89.91 4.83 20.08 25.38 91.82 49.11 -64.65 -41.75 0.33 0.00 99.67 0.03 0.01 0.23 99.66 0.06 0.00 0.00 0.00 52 L H H 97.43 2.02 21.91 22.39 91.75 49.20 -64.39 -42.00 0.20 0.00 99.80 0.02 0.01 0.13 99.80 0.04 0.00 0.00 0.00 53 G H H 19.22 10.10 17.33 28.89 91.89 50.34 -63.74 -41.80 0.30 0.00 99.70 0.03 0.01 0.19 99.70 0.07 0.00 0.00 0.00 54 F H H 69.39 12.86 17.89 30.86 91.99 49.97 -64.59 -40.63 0.28 0.00 99.72 0.02 0.01 0.18 99.70 0.08 0.00 0.00 0.00 55 A H H 56.52 3.59 21.34 24.86 91.52 51.20 -63.53 -41.79 0.35 0.00 99.65 0.03 0.01 0.23 99.64 0.08 0.00 0.00 0.00 56 L H H 92.28 3.13 22.60 25.09 91.74 48.64 -65.25 -41.21 0.71 0.00 99.29 0.08 0.04 0.48 99.28 0.13 0.00 0.00 0.00 57 S H H 20.69 14.46 16.86 32.13 91.98 50.95 -64.24 -41.73 0.67 0.00 99.33 0.10 0.04 0.40 99.34 0.11 0.00 0.00 0.00 58 E H H 78.95 10.37 20.00 30.46 91.83 51.03 -63.50 -41.12 0.52 0.00 99.48 0.06 0.02 0.30 99.55 0.07 0.00 0.00 0.00 59 A H H 59.02 2.45 22.99 24.12 91.56 50.49 -63.78 -42.33 0.47 0.00 99.53 0.06 0.02 0.27 99.59 0.06 0.00 0.00 0.00 60 T H H 56.92 6.37 21.34 28.24 91.82 49.20 -65.12 -41.41 0.29 0.00 99.71 0.04 0.01 0.17 99.73 0.05 0.00 0.00 0.00 61 G H H 11.05 16.16 15.74 32.61 91.49 51.87 -63.15 -42.02 0.27 0.00 99.73 0.03 0.01 0.16 99.75 0.05 0.00 0.00 0.00 62 L H H 85.80 4.88 21.30 26.38 91.62 50.27 -63.98 -41.57 0.16 0.00 99.84 0.01 0.01 0.10 99.84 0.04 0.00 0.00 0.00 63 F H H 119.81 2.10 22.40 23.02 91.57 49.85 -64.06 -42.11 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 64 C H H 32.00 10.98 16.91 29.25 91.83 50.68 -64.16 -41.70 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 65 L H H 60.79 10.93 17.50 28.96 91.90 50.47 -63.41 -41.27 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 66 M H H 105.17 2.40 20.42 22.04 91.57 50.00 -64.36 -41.61 0.13 0.00 99.87 0.01 0.00 0.08 99.87 0.03 0.00 0.00 0.00 67 V H H 72.59 3.74 18.65 22.61 91.84 49.70 -64.74 -41.56 0.25 0.00 99.74 0.03 0.01 0.16 99.73 0.08 0.00 0.00 0.00 68 S H H 28.25 10.77 14.07 26.37 91.50 50.89 -63.95 -41.19 0.74 0.00 99.26 0.05 0.02 0.58 99.05 0.30 0.00 0.00 0.00 69 F H H 104.54 4.88 15.71 21.56 91.87 50.22 -64.52 -40.90 0.83 0.00 99.17 0.06 0.03 0.61 98.45 0.83 0.00 0.00 0.00 70 L H H 103.91 1.80 15.29 16.84 92.10 50.69 -64.73 -40.21 1.02 0.00 98.98 0.10 0.06 0.72 96.94 2.18 0.00 0.00 0.00 71 L H H 97.68 3.77 13.26 18.22 92.74 49.72 -67.05 -37.49 4.12 0.01 95.87 0.28 0.20 3.31 92.13 4.07 0.00 0.00 0.00 72 L H H 96.90 5.50 11.30 18.27 94.26 49.13 -71.66 -31.02 15.48 0.03 84.49 1.14 0.78 13.00 82.00 3.04 0.01 0.01 0.02 73 F H H 149.65 2.42 10.76 14.12 98.69 45.94 -89.62 -6.40 45.07 0.29 54.64 17.84 1.33 24.32 54.27 1.94 0.00 0.10 0.21 74 G C C 48.80 3.69 11.94 17.16 104.87 92.93 -71.92 87.38 99.98 0.01 0.01 99.92 0.04 0.03 0.01 0.00 0.00 0.01 0.00