# 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 Q C C 110.34 4.52 13.16 18.81 102.20 115.61 -81.30 58.41 99.82 0.04 0.15 99.74 0.07 0.07 0.10 0.00 0.00 0.01 0.01 1 L H H 109.79 2.58 11.68 15.41 94.95 106.58 -66.96 -36.25 27.96 0.14 71.90 23.21 0.77 4.07 70.42 1.42 0.00 0.06 0.06 2 V H H 84.44 4.35 11.89 17.60 93.11 53.61 -66.24 -39.28 13.03 0.10 86.87 7.20 1.68 4.43 84.64 1.95 0.00 0.05 0.04 3 L H H 90.45 3.70 13.60 18.53 92.39 51.26 -65.59 -40.03 6.54 0.06 93.40 3.26 0.92 2.62 90.75 2.39 0.00 0.03 0.02 4 A H H 57.85 2.45 15.22 18.00 92.02 50.93 -64.51 -40.72 3.93 0.03 96.04 1.61 0.53 1.79 94.22 1.82 0.00 0.02 0.01 5 A H H 50.95 4.55 15.26 21.01 92.14 50.59 -65.02 -39.79 2.84 0.02 97.14 1.02 0.36 1.39 96.12 1.09 0.00 0.01 0.01 6 K H H 98.73 7.69 15.72 24.38 91.99 51.99 -64.49 -40.32 3.01 0.03 96.96 0.81 0.33 1.78 96.13 0.92 0.01 0.01 0.01 7 Y H H 135.23 3.15 18.54 21.93 92.30 49.58 -65.11 -41.71 3.12 0.03 96.86 0.78 0.35 1.90 96.08 0.85 0.01 0.01 0.01 8 I H H 101.64 2.23 20.98 22.15 91.89 48.66 -64.29 -42.22 2.84 0.02 97.13 0.74 0.34 1.65 96.60 0.64 0.01 0.01 0.01 9 G H H 23.60 9.06 17.35 27.58 92.05 50.08 -64.66 -41.44 3.80 0.01 96.19 0.79 0.39 2.40 95.54 0.87 0.01 0.01 0.01 10 A H H 41.20 9.26 18.02 28.23 91.79 51.21 -64.00 -40.89 4.34 0.02 95.64 0.71 0.45 3.00 94.27 1.54 0.02 0.01 0.01 11 G H H 36.42 3.55 21.33 24.69 91.62 50.89 -63.36 -42.25 6.52 0.02 93.46 0.94 0.60 4.69 91.53 2.21 0.01 0.01 0.01 12 I H H 87.71 4.51 22.18 26.67 91.91 49.07 -64.88 -41.07 9.00 0.06 90.94 1.95 1.11 5.94 87.83 3.08 0.02 0.03 0.03 13 S H H 31.62 12.84 17.64 31.07 91.93 51.63 -64.30 -40.96 14.50 0.15 85.35 4.23 1.78 8.65 81.94 3.23 0.03 0.08 0.07 14 T H H 66.06 6.12 21.42 27.88 91.90 49.97 -64.40 -40.91 17.71 0.24 82.05 5.81 2.05 10.23 78.17 3.48 0.03 0.12 0.11 15 I H H 98.51 2.53 23.51 24.91 91.69 49.87 -64.98 -41.80 10.36 0.18 89.45 3.10 1.63 6.21 84.57 4.26 0.05 0.10 0.08 16 G H H 22.29 10.15 17.77 29.03 91.99 51.17 -64.56 -41.45 11.04 0.13 88.83 2.70 1.33 7.22 83.92 4.66 0.04 0.07 0.05 17 L H H 67.07 10.42 18.97 29.79 91.99 50.36 -64.51 -40.99 10.71 0.11 89.19 2.31 1.29 7.25 84.68 4.33 0.04 0.06 0.04 18 L H H 99.05 2.52 22.84 24.32 91.76 49.77 -64.42 -41.07 8.17 0.07 91.76 1.75 1.04 5.32 89.75 2.05 0.02 0.03 0.03 19 G H H 32.82 4.65 20.60 25.56 92.12 50.06 -64.70 -41.15 8.78 0.04 91.19 1.93 0.95 5.59 90.12 1.37 0.01 0.01 0.02 20 A H H 32.59 11.34 17.03 29.37 91.86 51.18 -64.67 -40.88 5.12 0.02 94.86 0.92 0.53 3.30 94.12 1.10 0.01 0.01 0.01 21 G H H 33.19 5.79 19.94 26.34 91.80 51.57 -63.73 -41.50 3.86 0.01 96.12 0.64 0.34 2.58 95.60 0.83 0.00 0.00 0.00 22 I H H 100.18 2.18 22.34 23.17 91.82 48.95 -65.16 -41.47 2.27 0.01 97.72 0.32 0.18 1.53 97.48 0.49 0.00 0.00 0.00 23 G H H 24.23 7.55 18.09 26.88 91.97 51.30 -64.06 -41.90 1.79 0.00 98.21 0.25 0.12 1.16 98.24 0.23 0.00 0.00 0.00 24 I H H 65.06 9.52 18.32 28.54 91.77 49.83 -64.27 -41.30 0.59 0.00 99.40 0.08 0.03 0.33 99.47 0.08 0.00 0.00 0.00 25 A H H 55.67 3.95 19.76 24.01 91.69 51.44 -63.79 -41.06 0.27 0.00 99.73 0.04 0.01 0.14 99.77 0.04 0.00 0.00 0.00 26 I H H 97.24 3.02 20.56 23.02 91.90 49.19 -65.18 -41.45 0.22 0.00 99.78 0.02 0.01 0.13 99.80 0.04 0.00 0.00 0.00 27 V H H 58.05 8.24 17.82 26.84 92.05 49.15 -64.52 -42.37 0.21 0.00 99.79 0.02 0.01 0.14 99.80 0.04 0.00 0.00 0.00 28 F H H 90.76 7.50 18.31 26.62 91.85 48.98 -64.16 -41.59 0.20 0.00 99.80 0.02 0.01 0.12 99.82 0.04 0.00 0.00 0.00 29 A H H 55.54 3.30 19.32 22.66 91.46 51.16 -63.81 -41.08 0.19 0.00 99.81 0.01 0.01 0.12 99.81 0.05 0.00 0.00 0.00 30 A H H 53.15 4.40 18.90 23.48 91.87 50.48 -64.83 -40.58 0.50 0.00 99.50 0.02 0.01 0.38 99.48 0.11 0.00 0.00 0.00 31 L H H 62.38 9.70 16.62 27.17 92.12 50.01 -65.22 -41.18 1.29 0.00 98.71 0.08 0.05 0.99 98.69 0.20 0.00 0.00 0.00 32 I H H 81.40 5.57 17.86 24.33 92.00 49.47 -64.64 -41.40 2.61 0.01 97.38 0.30 0.20 1.88 97.18 0.43 0.01 0.00 0.00 33 N H H 92.71 1.96 19.42 20.18 92.13 49.91 -65.11 -40.56 5.65 0.02 94.33 0.60 0.42 4.37 92.98 1.59 0.02 0.01 0.01 34 G H H 25.78 5.69 15.17 22.52 92.18 51.35 -65.14 -39.36 9.36 0.03 90.61 0.82 0.71 7.55 88.15 2.72 0.02 0.01 0.01 35 V H H 53.45 9.21 12.46 23.10 92.87 51.80 -67.89 -35.41 10.32 0.05 89.63 1.07 1.05 8.02 85.81 3.95 0.04 0.02 0.03 36 S H H 75.18 2.77 14.25 17.88 92.16 55.95 -67.28 -29.86 22.20 0.05 77.75 1.42 1.64 18.73 75.01 3.11 0.04 0.02 0.03 37 R H H 174.23 1.08 14.36 14.61 95.09 46.48 -79.89 -27.04 35.47 0.07 64.45 1.47 4.82 28.74 62.94 1.88 0.07 0.02 0.07 38 N C C 74.46 4.98 11.14 18.11 112.97 25.61 -133.15 89.66 99.68 0.12 0.20 88.40 11.05 0.24 0.12 0.06 0.00 0.04 0.10 39 P H G 90.28 4.93 10.33 17.67 92.61 -170.84 -63.28 -26.01 16.81 0.04 83.15 1.79 1.08 11.79 4.02 81.30 0.00 0.03 0.01 40 S H G 90.02 0.99 14.49 14.74 90.74 65.42 -70.35 -18.73 15.10 0.04 84.86 0.99 0.95 11.70 4.29 82.04 0.00 0.02 0.01 41 I H G 61.50 8.20 10.86 20.94 96.26 57.98 -89.64 -3.26 12.21 0.06 87.73 3.56 1.32 5.99 8.75 80.32 0.00 0.05 0.01 42 K H H 92.16 10.99 11.65 23.49 92.54 98.22 -59.11 -42.32 6.54 0.01 93.44 1.47 0.64 3.67 76.07 18.15 0.00 0.01 0.01 43 D H H 113.29 1.16 17.24 17.35 91.58 50.91 -65.58 -36.56 5.96 0.01 94.03 0.45 0.30 4.48 77.42 17.34 0.00 0.00 0.00 44 T H H 82.72 2.56 17.19 19.57 94.69 49.46 -70.53 -37.02 7.20 0.01 92.79 0.55 0.39 5.40 76.50 17.14 0.00 0.01 0.01 45 V H H 34.09 13.25 12.76 26.82 93.44 50.21 -66.53 -41.03 3.72 0.00 96.27 0.34 0.34 2.79 93.97 2.55 0.00 0.00 0.00 46 F H H 94.09 8.09 16.50 25.49 91.99 52.58 -63.40 -42.46 0.96 0.00 99.04 0.26 0.10 0.47 98.59 0.58 0.00 0.00 0.00 47 P H H 78.29 2.12 19.72 20.76 91.68 50.02 -63.90 -41.31 0.49 0.00 99.51 0.11 0.02 0.29 99.13 0.45 0.00 0.00 0.00 48 M H H 91.15 4.84 19.14 24.39 92.20 49.11 -65.73 -40.36 0.22 0.00 99.78 0.03 0.01 0.14 99.36 0.45 0.00 0.00 0.00 49 A H H 21.97 14.41 14.44 29.66 91.89 51.64 -63.73 -41.90 0.28 0.00 99.72 0.05 0.01 0.16 99.67 0.11 0.00 0.00 0.00 50 I H H 88.36 5.12 19.81 25.55 91.81 49.14 -64.53 -41.75 0.30 0.00 99.70 0.02 0.01 0.21 99.71 0.05 0.00 0.00 0.00 51 L H H 98.81 1.90 21.91 22.16 91.69 49.30 -64.32 -42.00 0.19 0.00 99.81 0.02 0.01 0.12 99.81 0.04 0.00 0.00 0.00 52 G H H 20.14 9.56 17.51 28.56 91.88 50.24 -63.71 -41.73 0.32 0.00 99.68 0.03 0.01 0.21 99.67 0.07 0.00 0.00 0.00 53 F H H 67.39 13.07 17.68 30.89 91.91 49.80 -64.52 -40.58 0.38 0.00 99.62 0.03 0.01 0.27 99.59 0.10 0.00 0.00 0.00 54 A H H 56.02 3.71 21.15 24.90 91.46 51.26 -63.35 -42.00 0.50 0.00 99.50 0.05 0.02 0.33 99.51 0.10 0.00 0.00 0.00 55 L H H 93.57 2.90 22.67 24.78 91.77 48.69 -64.93 -41.33 0.92 0.00 99.08 0.12 0.05 0.61 99.07 0.15 0.00 0.00 0.00 56 S H H 21.71 13.95 16.94 31.78 91.96 50.80 -64.41 -41.59 1.01 0.00 98.99 0.17 0.06 0.61 99.00 0.15 0.00 0.00 0.00 57 E H H 77.50 10.63 19.65 30.42 91.77 50.93 -63.52 -41.09 0.80 0.00 99.20 0.10 0.04 0.47 99.29 0.10 0.00 0.00 0.00 58 A H H 59.37 2.43 22.81 23.94 91.63 50.43 -63.89 -42.17 0.71 0.00 99.29 0.11 0.04 0.40 99.37 0.09 0.00 0.00 0.00 59 T H H 58.54 5.95 21.29 27.73 91.76 49.34 -65.18 -41.45 0.44 0.00 99.56 0.06 0.02 0.25 99.60 0.07 0.00 0.00 0.00 60 G H H 11.05 16.08 15.51 32.36 91.52 51.90 -63.04 -42.05 0.33 0.00 99.67 0.04 0.01 0.19 99.69 0.06 0.00 0.00 0.00 61 L H H 85.51 4.98 21.09 26.32 91.59 50.41 -63.80 -41.56 0.16 0.00 99.84 0.02 0.01 0.10 99.84 0.04 0.00 0.00 0.00 62 F H H 120.83 2.03 22.26 22.78 91.61 49.91 -64.06 -42.06 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 63 C H H 33.31 10.72 16.92 29.01 91.78 50.62 -64.19 -41.81 0.07 0.00 99.93 0.00 0.00 0.04 99.93 0.02 0.00 0.00 0.00 64 L H H 60.02 11.02 17.37 28.93 91.85 50.45 -63.45 -41.20 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 65 M H H 104.65 2.43 20.37 22.09 91.63 50.13 -64.35 -41.61 0.14 0.00 99.86 0.01 0.00 0.09 99.86 0.03 0.00 0.00 0.00 66 V H H 73.12 3.63 18.75 22.58 91.74 49.67 -64.81 -41.65 0.26 0.00 99.74 0.03 0.01 0.16 99.74 0.06 0.00 0.00 0.00 67 S H H 28.21 10.72 14.11 26.39 91.44 51.20 -63.64 -41.40 0.62 0.00 99.38 0.05 0.02 0.45 99.21 0.27 0.00 0.00 0.00 68 F H H 104.18 5.00 15.84 21.77 91.88 50.11 -64.42 -40.88 0.74 0.00 99.26 0.06 0.03 0.54 98.62 0.75 0.00 0.00 0.00 69 L H H 103.10 1.81 15.34 16.90 91.98 50.40 -64.64 -40.30 0.89 0.00 99.11 0.09 0.05 0.62 97.44 1.80 0.00 0.00 0.00 70 L H H 97.35 3.80 13.31 18.34 92.76 49.97 -66.75 -37.52 3.52 0.01 96.48 0.27 0.18 2.76 93.23 3.55 0.00 0.01 0.00 71 L H H 97.23 5.52 11.39 18.33 94.06 49.30 -71.46 -31.06 14.54 0.03 85.43 1.08 0.72 12.17 83.25 2.75 0.01 0.01 0.02 72 F H H 151.17 2.29 10.86 14.05 98.82 45.45 -89.86 -6.51 43.35 0.22 56.43 15.73 1.20 24.49 56.51 1.82 0.00 0.08 0.16 73 G C C 48.50 3.81 11.91 17.23 104.52 91.06 -74.97 78.86 99.97 0.02 0.01 99.91 0.04 0.03 0.01 0.00 0.00 0.01 0.00