# 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 115.35 4.72 11.35 17.51 109.85 71.58 -86.38 123.19 99.95 0.02 0.03 99.88 0.05 0.04 0.01 0.00 0.00 0.01 0.00 1 E C C 127.84 3.33 9.97 14.99 106.58 -138.06 -83.75 102.53 84.67 0.43 14.90 79.15 0.91 4.84 13.51 1.17 0.00 0.16 0.25 2 N C C 101.92 3.39 9.93 14.85 107.29 69.43 -84.70 91.90 62.23 0.52 37.25 44.61 7.07 9.59 34.77 3.46 0.00 0.21 0.29 3 L H H 117.39 2.07 10.58 13.54 95.78 61.20 -67.14 -31.38 35.05 0.31 64.64 17.27 6.12 12.27 58.69 5.34 0.01 0.13 0.17 4 N H H 93.91 2.91 12.81 16.69 95.35 56.38 -70.58 -32.79 26.48 0.22 73.30 15.03 3.59 8.36 68.20 4.60 0.01 0.10 0.12 5 M H H 77.57 7.26 11.10 19.92 93.95 58.87 -66.22 -38.87 9.50 0.06 90.44 4.45 1.55 3.57 88.02 2.34 0.00 0.02 0.03 6 D H H 85.01 2.88 14.71 18.25 92.35 53.46 -64.77 -39.77 5.85 0.04 94.11 2.78 0.70 2.33 92.89 1.27 0.00 0.02 0.02 7 L H H 97.96 1.84 16.44 17.70 92.22 50.55 -65.33 -40.68 1.59 0.01 98.40 0.56 0.17 0.72 97.87 0.68 0.00 0.00 0.00 8 L H H 68.72 7.43 14.86 23.56 92.19 50.66 -64.80 -41.07 0.71 0.00 99.29 0.20 0.06 0.35 99.05 0.34 0.00 0.00 0.00 9 Y H H 103.86 7.89 16.25 25.19 91.81 50.00 -64.27 -41.41 0.53 0.00 99.47 0.11 0.04 0.30 99.32 0.23 0.00 0.00 0.00 10 M H H 109.55 2.07 20.09 21.08 91.73 49.22 -64.49 -41.59 0.35 0.00 99.65 0.06 0.02 0.20 99.61 0.11 0.00 0.00 0.00 11 A H H 51.30 3.87 19.39 23.56 91.85 49.53 -64.26 -41.73 0.30 0.00 99.70 0.03 0.01 0.18 99.71 0.07 0.00 0.00 0.00 12 A H H 27.65 11.70 16.08 29.01 91.66 50.64 -64.03 -41.20 0.26 0.00 99.74 0.02 0.01 0.16 99.76 0.05 0.00 0.00 0.00 13 A H H 49.53 6.37 19.01 26.18 91.50 51.13 -63.42 -41.25 0.20 0.00 99.80 0.02 0.01 0.12 99.81 0.05 0.00 0.00 0.00 14 V H H 89.96 2.02 22.59 22.99 91.57 49.27 -64.25 -42.13 0.20 0.00 99.80 0.01 0.01 0.12 99.79 0.06 0.00 0.00 0.00 15 M H H 74.61 8.05 19.78 28.34 91.83 49.12 -64.85 -41.78 0.29 0.00 99.70 0.02 0.01 0.20 99.68 0.09 0.00 0.00 0.00 16 M H H 61.34 12.69 18.21 31.09 91.48 50.40 -63.99 -41.54 0.47 0.00 99.53 0.04 0.02 0.33 99.50 0.11 0.00 0.00 0.00 17 G H H 36.15 3.90 21.39 25.24 91.54 50.85 -63.45 -42.21 0.79 0.00 99.21 0.06 0.03 0.57 99.18 0.15 0.00 0.00 0.00 18 L H H 91.63 2.83 23.27 25.19 91.46 49.02 -64.74 -41.49 0.65 0.00 99.35 0.05 0.03 0.46 99.21 0.23 0.00 0.00 0.00 19 A H H 26.92 12.64 17.47 30.97 91.75 50.97 -64.33 -41.50 0.89 0.00 99.11 0.07 0.04 0.69 98.87 0.34 0.00 0.00 0.00 20 A H H 43.11 9.29 19.71 29.62 91.64 50.78 -63.61 -41.67 1.07 0.00 98.93 0.10 0.05 0.76 98.80 0.28 0.00 0.00 0.00 21 I H H 103.17 1.92 24.46 24.48 91.46 48.73 -64.21 -41.95 0.77 0.00 99.23 0.08 0.05 0.50 99.18 0.19 0.00 0.00 0.00 22 G H H 27.01 6.55 20.40 27.82 91.74 50.70 -64.18 -41.84 0.89 0.00 99.11 0.11 0.05 0.55 99.11 0.19 0.00 0.00 0.00 23 A H H 26.94 13.46 16.82 30.98 91.49 50.83 -64.19 -40.83 1.06 0.00 98.94 0.11 0.05 0.73 98.90 0.21 0.00 0.00 0.00 24 A H H 57.36 4.36 21.73 26.09 91.67 50.88 -63.95 -41.59 0.88 0.00 99.12 0.10 0.05 0.57 99.13 0.15 0.00 0.00 0.00 25 I H H 100.52 2.16 23.13 23.62 91.78 48.55 -64.67 -41.87 0.55 0.00 99.45 0.07 0.03 0.33 99.49 0.09 0.00 0.00 0.00 26 G H H 19.55 10.30 17.56 29.12 91.91 51.18 -63.79 -42.06 0.61 0.00 99.39 0.07 0.03 0.38 99.43 0.10 0.00 0.00 0.00 27 I H H 68.14 9.63 18.57 28.85 91.59 49.84 -64.23 -41.11 0.48 0.00 99.52 0.05 0.02 0.30 99.54 0.09 0.00 0.00 0.00 28 G H H 38.92 2.94 20.88 23.33 91.91 50.84 -63.78 -41.91 0.53 0.00 99.47 0.06 0.02 0.32 99.50 0.10 0.00 0.00 0.00 29 I H H 91.91 3.58 20.79 24.08 92.21 48.61 -65.48 -41.47 0.78 0.00 99.22 0.07 0.04 0.54 99.22 0.12 0.00 0.00 0.00 30 L H H 57.19 9.37 17.48 27.89 91.94 49.17 -64.65 -41.47 0.96 0.00 99.04 0.08 0.05 0.67 99.05 0.14 0.00 0.00 0.00 31 G H H 30.13 5.82 18.03 25.05 91.62 50.95 -63.71 -41.03 1.58 0.00 98.42 0.15 0.09 1.09 98.48 0.18 0.00 0.00 0.00 32 G H H 36.01 2.95 19.30 22.05 91.90 50.82 -64.26 -41.01 1.56 0.00 98.44 0.14 0.08 1.08 98.46 0.23 0.00 0.00 0.00 33 K H H 111.88 3.93 19.33 23.47 92.07 50.21 -65.34 -40.99 1.43 0.00 98.57 0.15 0.09 0.95 98.51 0.28 0.00 0.00 0.00 34 F H H 87.79 8.66 16.65 26.24 92.07 50.29 -64.18 -41.38 1.56 0.00 98.44 0.23 0.10 0.99 98.35 0.33 0.00 0.00 0.00 35 L H H 89.97 3.64 18.28 22.28 91.97 49.46 -64.89 -41.02 1.38 0.00 98.62 0.26 0.12 0.78 98.56 0.28 0.00 0.00 0.00 36 E H H 107.75 1.93 19.25 19.99 92.09 49.65 -64.86 -40.74 1.70 0.00 98.29 0.24 0.12 1.09 98.11 0.42 0.00 0.00 0.00 37 G H H 22.10 6.19 14.73 23.06 91.95 50.87 -64.25 -40.20 3.02 0.00 96.97 0.29 0.21 2.23 96.34 0.92 0.01 0.00 0.00 38 A H H 39.25 8.07 12.43 22.36 92.02 51.62 -65.48 -35.97 4.45 0.00 95.55 0.30 0.28 3.61 94.02 1.79 0.00 0.00 0.00 39 A H H 76.60 1.95 14.68 16.92 91.81 54.69 -67.44 -29.70 15.24 0.01 84.75 0.45 0.56 14.34 82.98 1.66 0.01 0.00 0.01 40 R H H 171.62 1.15 14.22 14.75 96.17 47.04 -82.69 -24.99 30.00 0.03 69.97 0.62 2.09 27.15 68.90 1.19 0.02 0.01 0.03 41 Q C C 81.61 5.65 10.44 18.05 111.96 30.21 -130.77 84.76 99.62 0.06 0.32 81.75 17.51 0.37 0.19 0.08 0.00 0.02 0.08 42 P H G 95.42 3.72 10.79 16.78 92.90 -173.30 -62.17 -30.13 12.75 0.02 87.23 0.98 0.67 8.82 2.08 87.44 0.00 0.01 0.00 43 D H G 124.34 0.74 14.44 13.89 91.01 61.41 -73.47 -14.61 11.72 0.01 88.27 0.45 0.53 9.21 2.10 87.70 0.00 0.01 0.00 44 L H G 56.59 9.18 10.46 21.39 95.68 57.26 -92.70 -7.97 8.88 0.02 91.11 1.40 0.71 5.44 6.18 86.25 0.00 0.01 0.00 45 I H H 65.97 10.22 11.51 23.18 92.51 92.63 -59.24 -43.30 1.96 0.00 98.04 0.60 0.29 0.83 97.01 1.26 0.00 0.00 0.00 46 P H H 87.99 1.47 17.73 17.88 91.18 50.38 -63.59 -39.75 0.90 0.00 99.10 0.14 0.05 0.56 98.03 1.21 0.00 0.00 0.00 47 L H H 91.37 2.64 17.23 19.86 91.78 49.91 -65.53 -40.38 0.39 0.00 99.61 0.05 0.02 0.24 98.63 1.06 0.00 0.00 0.00 48 L H H 37.97 12.53 12.65 26.33 91.88 50.62 -64.81 -40.90 0.35 0.00 99.65 0.07 0.02 0.19 99.38 0.33 0.00 0.00 0.00 49 R H H 124.21 5.00 17.14 23.24 91.63 51.28 -63.77 -40.74 0.56 0.00 99.43 0.10 0.04 0.33 99.41 0.12 0.00 0.00 0.00 50 T H H 76.50 1.78 18.77 19.11 91.88 49.58 -64.92 -41.64 0.74 0.00 99.26 0.13 0.05 0.44 99.28 0.09 0.00 0.00 0.00 51 Q H H 84.19 5.15 17.23 23.32 91.98 49.43 -65.55 -40.43 0.52 0.00 99.48 0.09 0.03 0.31 99.50 0.08 0.00 0.00 0.00 52 F H H 63.96 11.71 14.27 26.80 91.77 51.10 -64.09 -41.05 0.48 0.00 99.52 0.08 0.03 0.29 99.52 0.09 0.00 0.00 0.00 53 F H H 117.75 3.33 17.97 21.79 91.92 50.19 -64.49 -41.10 0.31 0.00 99.69 0.05 0.02 0.19 99.67 0.07 0.00 0.00 0.00 54 I H H 102.55 1.91 19.30 19.97 91.94 49.07 -64.90 -42.01 0.28 0.00 99.71 0.04 0.01 0.17 99.70 0.06 0.00 0.00 0.00 55 V H H 55.13 7.79 16.75 25.76 92.29 48.63 -65.35 -41.47 0.38 0.00 99.62 0.05 0.02 0.24 99.60 0.08 0.00 0.00 0.00 56 M H H 64.20 10.69 16.00 27.43 91.78 51.03 -63.79 -41.01 0.43 0.00 99.57 0.04 0.02 0.30 99.51 0.14 0.00 0.00 0.00 57 G H H 36.77 3.30 18.70 22.23 91.61 51.46 -63.82 -40.83 1.04 0.00 98.96 0.06 0.04 0.81 98.81 0.27 0.00 0.00 0.00 58 L H H 95.95 2.86 19.98 22.44 92.27 48.90 -65.74 -40.37 1.49 0.00 98.51 0.09 0.07 1.16 98.07 0.62 0.00 0.00 0.00 59 V H H 41.12 12.31 16.09 29.04 92.62 49.47 -65.89 -40.83 3.44 0.00 96.55 0.20 0.17 2.85 95.61 1.16 0.00 0.00 0.00 60 D H H 65.83 9.17 17.66 27.43 92.46 51.61 -66.13 -35.00 19.75 0.01 80.24 0.54 0.55 18.26 79.41 1.23 0.00 0.00 0.01 61 A H H 58.23 2.82 20.49 22.72 92.20 54.52 -65.40 -39.97 12.41 0.00 87.58 0.57 0.62 10.57 87.28 0.96 0.00 0.00 0.00 62 I H H 73.62 6.24 19.50 26.46 92.40 51.66 -65.03 -41.81 1.69 0.00 98.31 0.39 0.18 0.78 98.20 0.45 0.00 0.00 0.00 63 P H H 30.80 14.30 15.52 30.41 92.00 51.46 -63.60 -41.33 0.90 0.00 99.10 0.25 0.06 0.45 98.73 0.53 0.00 0.00 0.00 64 M H H 104.67 3.58 20.75 24.40 91.70 50.68 -64.13 -41.24 0.41 0.00 99.59 0.08 0.03 0.24 99.23 0.43 0.00 0.00 0.00 65 I H H 99.40 2.27 21.76 22.82 91.85 49.03 -64.65 -41.96 0.27 0.00 99.72 0.05 0.02 0.16 99.65 0.12 0.00 0.00 0.00 66 A H H 26.40 11.28 16.49 29.10 91.99 50.92 -64.45 -41.99 0.21 0.00 99.79 0.03 0.01 0.12 99.78 0.06 0.00 0.00 0.00 67 V H H 62.42 8.62 18.46 27.88 91.95 49.90 -64.01 -41.96 0.17 0.00 99.83 0.01 0.01 0.11 99.82 0.05 0.00 0.00 0.00 68 G H H 37.40 2.56 20.28 22.12 91.67 50.64 -63.62 -41.91 0.27 0.00 99.73 0.03 0.01 0.17 99.73 0.07 0.00 0.00 0.00 69 L H H 79.78 4.01 19.06 23.49 91.94 49.42 -65.25 -41.33 0.36 0.00 99.64 0.03 0.01 0.24 99.61 0.11 0.00 0.00 0.00 70 G H H 18.69 10.14 14.55 26.44 91.59 51.74 -63.68 -41.40 0.80 0.00 99.20 0.06 0.02 0.58 99.14 0.20 0.00 0.00 0.00 71 L H H 88.50 3.60 17.52 21.53 91.83 50.68 -64.66 -41.28 1.07 0.00 98.93 0.10 0.05 0.77 98.73 0.35 0.00 0.00 0.00 72 Y H H 136.65 1.89 16.98 18.28 92.13 50.07 -65.33 -41.01 1.30 0.00 98.69 0.23 0.10 0.82 98.22 0.62 0.00 0.00 0.00 73 V H H 70.62 4.89 13.92 20.35 92.51 49.34 -65.80 -40.52 2.19 0.01 97.80 0.38 0.18 1.48 96.92 1.02 0.00 0.00 0.00 74 M H H 96.28 4.88 12.81 19.13 92.63 50.18 -66.22 -38.56 4.37 0.02 95.62 0.59 0.37 3.21 94.35 1.46 0.00 0.01 0.01 75 F H H 143.65 1.58 12.62 14.39 93.92 48.36 -70.80 -32.81 12.78 0.08 87.14 2.06 1.38 9.14 85.16 2.18 0.02 0.04 0.04 76 A H H 75.52 2.18 10.78 13.97 95.07 54.52 -72.60 -28.34 29.32 0.40 70.29 7.33 4.14 18.16 67.83 2.13 0.04 0.15 0.21 77 V C H 100.61 3.18 9.20 13.97 100.44 53.20 -86.16 -9.45 54.41 0.49 45.10 30.60 1.85 20.31 45.20 1.55 0.00 0.19 0.30 78 A C C 77.01 3.41 11.85 16.70 105.50 105.31 -74.00 62.38 99.94 0.01 0.04 99.87 0.04 0.06 0.03 0.00 0.00 0.01 0.00