# 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 101.19 6.59 10.36 18.42 113.49 -154.40 -90.21 132.49 99.98 0.02 0.01 99.87 0.11 0.01 0.00 0.00 0.00 0.01 0.01 1 T C C 75.48 2.77 11.69 15.54 118.08 -134.05 -82.86 157.05 96.96 0.07 2.98 95.73 0.58 0.44 3.12 0.06 0.00 0.01 0.04 2 P H H 97.19 2.63 10.11 14.18 93.05 -107.38 -59.61 -37.23 10.70 0.02 89.28 3.68 1.46 4.85 88.97 1.02 0.00 0.01 0.01 3 E H H 128.13 1.57 11.50 13.56 92.55 52.84 -66.03 -37.95 5.10 0.01 94.89 1.33 0.63 2.71 94.34 0.97 0.00 0.00 0.01 4 S H H 57.09 2.69 11.62 15.53 92.53 51.13 -65.76 -39.83 2.11 0.01 97.87 0.81 0.27 0.92 97.02 0.97 0.00 0.00 0.00 5 V H H 83.45 2.59 12.50 15.90 92.22 50.72 -65.45 -41.02 1.11 0.01 98.89 0.39 0.13 0.49 98.57 0.41 0.00 0.00 0.00 6 M H H 108.68 1.95 13.65 15.89 92.04 50.07 -65.01 -40.65 1.09 0.00 98.90 0.32 0.11 0.53 98.81 0.23 0.00 0.00 0.00 7 M H H 103.40 2.27 14.18 16.81 92.27 50.05 -65.30 -40.86 1.40 0.01 98.59 0.38 0.13 0.75 98.54 0.19 0.00 0.00 0.00 8 M H H 105.54 2.13 14.71 17.02 92.24 49.96 -64.73 -40.81 0.82 0.00 99.18 0.18 0.06 0.43 99.23 0.10 0.00 0.00 0.00 9 G H H 36.63 2.71 14.82 18.01 92.05 50.30 -63.85 -41.60 0.79 0.00 99.21 0.17 0.05 0.41 99.28 0.08 0.00 0.00 0.00 10 T H H 72.79 2.63 15.48 18.30 92.40 49.71 -65.19 -40.99 0.51 0.00 99.49 0.10 0.03 0.26 99.54 0.06 0.00 0.00 0.00 11 E H H 105.04 2.52 15.67 18.38 92.17 50.27 -64.52 -40.79 0.31 0.00 99.69 0.05 0.02 0.17 99.73 0.04 0.00 0.00 0.00 12 A H H 59.16 2.64 14.86 17.86 91.77 51.00 -63.94 -41.31 0.21 0.00 99.79 0.03 0.01 0.11 99.82 0.03 0.00 0.00 0.00 13 M H H 109.75 2.20 15.49 17.77 92.12 49.87 -65.18 -40.45 0.11 0.00 99.88 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 14 K H H 118.98 2.25 15.81 18.08 92.02 50.29 -64.66 -41.01 0.11 0.00 99.89 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 15 V H H 81.83 2.42 15.63 18.19 92.02 49.18 -64.49 -41.84 0.12 0.00 99.88 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 16 A H H 55.54 3.52 14.56 18.86 91.71 50.34 -63.81 -41.39 0.18 0.00 99.82 0.02 0.01 0.12 99.82 0.05 0.00 0.00 0.00 17 L H H 99.12 2.62 15.19 18.11 92.02 49.82 -65.46 -39.80 0.30 0.00 99.70 0.02 0.01 0.22 99.59 0.16 0.00 0.00 0.00 18 A H H 69.12 2.05 15.57 17.49 92.23 50.40 -65.47 -38.64 1.01 0.00 98.99 0.03 0.03 0.91 98.57 0.47 0.00 0.00 0.00 19 L H H 99.97 2.81 14.99 18.08 93.05 48.84 -69.25 -35.16 10.12 0.00 89.87 0.14 0.22 10.12 88.70 0.82 0.00 0.00 0.00 20 A H H 52.21 5.04 13.70 20.01 93.26 53.32 -71.54 -30.28 18.63 0.01 81.36 0.55 0.87 16.82 80.78 0.96 0.00 0.00 0.01 21 A H H 57.64 2.98 14.92 18.63 92.09 65.73 -61.09 -42.67 4.53 0.00 95.46 1.27 0.66 2.13 94.61 1.32 0.00 0.00 0.00 22 P H H 76.87 2.28 16.01 18.16 91.82 50.38 -64.58 -39.84 2.58 0.00 97.41 0.61 0.22 1.49 96.10 1.57 0.00 0.00 0.00 23 L H H 85.60 4.51 14.57 19.72 92.28 50.30 -65.10 -40.58 0.85 0.00 99.14 0.19 0.07 0.48 98.03 1.22 0.00 0.00 0.00 24 L H H 93.27 3.14 15.28 18.95 91.94 50.20 -64.44 -41.14 0.34 0.00 99.66 0.07 0.03 0.17 99.51 0.22 0.00 0.00 0.00 25 L H H 101.07 1.55 16.96 17.43 91.72 49.97 -64.24 -41.59 0.27 0.00 99.73 0.04 0.02 0.15 99.70 0.09 0.00 0.00 0.00 26 V H H 76.91 2.85 15.77 18.92 91.78 49.87 -64.31 -41.58 0.24 0.00 99.76 0.03 0.01 0.14 99.75 0.07 0.00 0.00 0.00 27 A H H 49.77 4.88 14.22 20.29 91.76 50.96 -64.14 -40.96 0.30 0.00 99.70 0.03 0.01 0.19 99.68 0.08 0.00 0.00 0.00 28 L H H 100.37 2.03 16.57 18.20 91.83 50.06 -64.65 -41.23 0.55 0.00 99.45 0.05 0.03 0.38 99.44 0.11 0.00 0.00 0.00 29 I H H 101.06 1.63 17.18 17.70 92.12 48.92 -64.74 -41.61 0.93 0.00 99.07 0.10 0.06 0.63 99.08 0.13 0.00 0.00 0.00 30 T H H 65.29 3.54 15.36 19.70 91.74 49.94 -64.77 -41.13 1.28 0.00 98.72 0.19 0.10 0.77 98.81 0.12 0.00 0.00 0.00 31 G H H 32.45 4.23 14.42 20.01 92.00 51.87 -63.74 -41.14 1.32 0.00 98.68 0.24 0.10 0.74 98.76 0.14 0.00 0.00 0.00 32 L H H 100.61 1.75 16.46 17.48 92.05 49.89 -64.96 -40.90 0.86 0.00 99.14 0.15 0.06 0.50 99.14 0.14 0.00 0.00 0.00 33 I H H 99.09 1.77 16.45 17.48 92.30 49.48 -64.90 -41.96 0.72 0.00 99.27 0.14 0.06 0.41 99.25 0.14 0.00 0.00 0.00 34 I H H 84.63 3.40 14.67 18.90 91.95 49.55 -64.95 -41.37 0.68 0.00 99.32 0.15 0.06 0.36 99.31 0.12 0.00 0.00 0.00 35 S H H 57.85 3.12 14.69 18.66 92.27 51.34 -64.09 -40.75 1.01 0.00 98.99 0.22 0.08 0.57 98.95 0.17 0.00 0.00 0.00 36 I H H 108.51 1.43 16.16 16.57 92.11 49.33 -65.10 -41.12 0.97 0.00 99.02 0.15 0.07 0.60 98.96 0.21 0.00 0.00 0.00 37 L H H 98.30 1.90 15.67 17.26 92.15 48.99 -65.14 -40.84 1.26 0.00 98.74 0.24 0.12 0.76 98.53 0.34 0.00 0.00 0.00 38 Q H H 94.05 3.16 14.52 18.50 92.13 50.83 -65.25 -39.81 3.12 0.01 96.87 0.61 0.30 2.01 96.48 0.58 0.00 0.00 0.00 39 A H H 58.32 2.40 14.95 17.65 92.12 50.99 -64.33 -40.83 5.61 0.02 94.37 1.14 0.65 3.61 93.69 0.88 0.01 0.01 0.01 40 A H H 61.73 1.87 15.63 17.12 92.05 50.64 -64.99 -40.33 8.53 0.04 91.43 2.56 1.26 4.65 90.31 1.16 0.01 0.02 0.03 41 T H H 70.53 2.84 14.60 18.04 92.78 50.16 -66.79 -40.07 13.32 0.10 86.58 5.29 2.09 6.14 84.97 1.41 0.01 0.04 0.05 42 Q H H 105.39 2.42 14.84 17.55 92.34 51.64 -65.32 -39.85 13.29 0.11 86.60 5.59 2.12 5.89 84.57 1.71 0.01 0.05 0.05 43 I H H 101.05 1.76 15.15 16.52 92.21 50.25 -65.12 -41.30 10.46 0.08 89.45 4.22 1.82 4.74 87.22 1.91 0.01 0.04 0.05 44 N H H 91.43 1.98 14.82 16.85 92.26 49.76 -65.51 -40.06 9.73 0.05 90.22 4.00 1.37 4.43 88.06 2.09 0.00 0.02 0.03 45 E H H 106.42 2.59 14.41 17.48 92.46 50.80 -66.00 -39.18 9.06 0.04 90.90 2.76 1.18 5.00 87.48 3.53 0.01 0.02 0.02 46 M H H 103.47 2.56 14.14 17.30 92.54 50.75 -66.01 -39.15 10.40 0.04 89.57 1.87 1.11 7.03 84.92 5.01 0.02 0.02 0.02 47 T H H 78.54 2.35 14.37 17.11 92.91 50.72 -66.91 -38.76 13.62 0.04 86.33 2.03 1.36 9.75 80.23 6.57 0.02 0.02 0.03 48 L H H 105.43 1.89 14.73 16.53 93.27 50.26 -67.57 -36.74 19.97 0.10 79.93 3.03 2.02 13.81 65.83 15.17 0.03 0.05 0.06 49 S H H 60.27 3.35 13.49 17.93 93.17 53.00 -70.05 -30.97 42.00 0.08 57.92 3.15 2.58 35.30 46.35 12.50 0.02 0.04 0.07 50 F H H 113.66 3.86 13.66 18.68 94.54 52.74 -71.34 -33.17 24.89 0.04 75.08 2.10 2.03 20.17 68.65 6.98 0.02 0.01 0.03 51 I H H 97.71 2.23 15.35 17.61 92.29 55.85 -63.79 -43.17 2.71 0.00 97.29 0.75 0.42 1.15 97.24 0.43 0.00 0.00 0.00 52 P H H 74.54 2.29 15.46 17.91 91.71 49.32 -64.45 -40.46 1.31 0.00 98.68 0.46 0.10 0.60 98.45 0.39 0.00 0.00 0.00 53 K H H 102.28 4.84 14.26 20.14 92.07 50.81 -65.46 -40.15 0.34 0.00 99.66 0.09 0.03 0.17 99.48 0.24 0.00 0.00 0.00 54 I H H 94.58 2.84 15.76 19.06 92.07 49.77 -64.77 -41.75 0.13 0.00 99.87 0.02 0.01 0.07 99.84 0.06 0.00 0.00 0.00 55 V H H 90.84 1.48 17.26 17.39 91.99 49.21 -64.63 -41.64 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.03 0.00 0.00 0.00 56 A H H 51.07 3.51 15.02 19.50 91.78 50.11 -64.16 -41.48 0.12 0.00 99.88 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 57 V H H 69.10 5.42 14.50 21.07 92.05 49.77 -64.42 -41.72 0.09 0.00 99.91 0.00 0.00 0.06 99.91 0.02 0.00 0.00 0.00 58 F H H 121.45 1.93 16.64 18.11 91.85 49.40 -64.43 -41.72 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 59 I H H 97.96 1.68 16.96 17.66 91.88 48.91 -64.99 -41.54 0.21 0.00 99.79 0.01 0.01 0.14 99.81 0.03 0.00 0.00 0.00 60 A H H 45.14 5.17 13.74 20.52 91.99 50.53 -64.29 -41.20 0.31 0.00 99.69 0.02 0.01 0.20 99.70 0.06 0.00 0.00 0.00 61 I H H 91.77 4.01 14.32 19.42 92.06 49.60 -65.05 -40.81 0.33 0.00 99.67 0.02 0.01 0.24 99.54 0.19 0.00 0.00 0.00 62 I H H 115.11 1.32 15.94 16.20 92.61 48.23 -66.26 -40.18 0.74 0.00 99.26 0.02 0.02 0.66 98.86 0.43 0.00 0.00 0.00 63 V H H 97.25 1.66 15.51 16.61 94.34 44.10 -71.21 -37.68 4.80 0.00 95.20 0.07 0.12 4.82 94.45 0.54 0.00 0.00 0.00 64 A H H 49.52 5.46 12.83 19.87 95.01 46.54 -80.94 -24.88 12.61 0.01 87.39 0.42 0.77 11.12 87.03 0.65 0.00 0.00 0.01 65 G H H 31.06 4.72 13.07 19.79 93.02 76.30 -59.67 -43.68 6.88 0.01 93.11 1.84 0.93 3.59 91.29 2.34 0.00 0.00 0.00 66 P H H 82.23 1.98 15.74 17.44 92.36 49.74 -65.11 -39.24 3.41 0.00 96.58 0.68 0.29 2.20 94.13 2.70 0.00 0.00 0.00 67 W H H 144.75 2.42 15.23 17.89 92.48 50.80 -65.32 -40.48 0.98 0.00 99.02 0.16 0.07 0.64 96.61 2.52 0.00 0.00 0.00 68 M H H 93.19 3.59 14.50 19.13 92.35 50.21 -64.98 -40.83 0.79 0.00 99.21 0.14 0.06 0.49 98.36 0.95 0.00 0.00 0.00 69 L H H 92.83 2.24 15.15 17.55 91.92 50.44 -64.22 -41.02 0.74 0.00 99.26 0.12 0.05 0.45 99.08 0.30 0.00 0.00 0.00 70 N H H 88.23 2.30 15.08 17.59 91.97 50.90 -64.73 -40.68 0.68 0.00 99.32 0.11 0.04 0.41 99.28 0.15 0.00 0.00 0.00 71 L H H 86.66 2.89 14.78 18.31 92.02 50.47 -64.75 -41.24 0.57 0.00 99.43 0.06 0.03 0.37 99.39 0.15 0.00 0.00 0.00 72 L H H 94.71 1.97 15.57 17.35 91.92 49.74 -64.45 -41.34 0.47 0.00 99.53 0.06 0.02 0.29 99.51 0.12 0.00 0.00 0.00 73 L H H 88.07 2.28 14.82 17.33 91.78 50.19 -64.57 -41.36 0.40 0.00 99.60 0.05 0.02 0.23 99.61 0.09 0.00 0.00 0.00 74 D H H 77.92 2.69 14.32 17.71 92.09 50.31 -64.60 -40.73 0.57 0.00 99.43 0.07 0.03 0.35 99.47 0.09 0.00 0.00 0.00 75 Y H H 131.89 2.06 14.65 16.81 92.25 49.81 -64.72 -41.14 0.55 0.00 99.45 0.07 0.03 0.35 99.44 0.11 0.00 0.00 0.00 76 V H H 86.33 1.78 14.75 16.28 91.90 49.62 -64.69 -41.32 0.59 0.00 99.41 0.09 0.04 0.35 99.41 0.11 0.00 0.00 0.00 77 R H H 133.51 1.99 14.19 16.40 92.01 50.21 -64.96 -40.62 0.73 0.00 99.27 0.10 0.04 0.46 99.21 0.19 0.00 0.00 0.00 78 T H H 74.14 2.67 13.51 16.93 92.24 49.35 -65.69 -40.56 1.48 0.00 98.51 0.15 0.09 1.06 98.19 0.49 0.00 0.00 0.00 79 L H H 99.14 1.97 13.57 15.79 92.16 50.15 -65.02 -40.49 2.46 0.00 97.54 0.17 0.13 1.91 96.75 1.04 0.00 0.00 0.00 80 F H H 134.26 1.55 13.53 14.91 92.66 48.05 -67.30 -37.03 5.89 0.01 94.10 0.44 0.38 4.81 91.82 2.53 0.01 0.00 0.00 81 S H H 65.47 2.53 12.29 15.79 93.16 52.21 -69.78 -31.78 29.03 0.03 70.93 1.02 1.37 26.23 68.31 3.00 0.02 0.01 0.03 82 N H H 92.61 3.07 11.61 15.92 95.79 53.25 -79.76 -16.18 43.87 0.05 56.08 2.96 2.80 37.02 52.51 4.63 0.01 0.02 0.05 83 L H H 96.95 2.67 10.69 14.91 94.65 70.45 -64.30 -40.05 16.46 0.09 83.46 4.56 2.65 8.06 62.87 21.77 0.01 0.04 0.05 84 P H H 92.22 1.87 10.95 13.60 93.47 53.89 -66.73 -32.65 12.23 0.09 87.68 3.16 1.17 6.50 64.90 24.20 0.00 0.05 0.03 85 Y H H 165.33 1.68 9.89 12.44 96.21 52.98 -74.12 -28.00 11.44 0.15 88.41 2.62 1.31 6.19 64.77 24.96 0.01 0.09 0.05 86 I H H 127.57 1.77 8.79 11.63 99.29 54.36 -79.12 -23.08 24.45 0.69 74.87 8.58 4.13 12.30 62.56 11.65 0.09 0.38 0.31 87 I C H 130.96 1.65 8.37 11.20 104.06 57.15 -88.10 11.29 54.57 1.48 43.96 36.19 2.71 16.35 40.38 2.84 0.01 0.55 0.98 88 G C C 52.51 2.51 11.95 15.74 111.24 -116.20 71.53 55.14 99.98 0.01 0.01 99.89 0.05 0.05 0.00 0.00 0.00 0.00 0.00