# 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 114.23 6.09 10.23 17.89 115.31 -163.32 -91.74 129.81 99.95 0.04 0.01 99.90 0.05 0.02 0.00 0.00 0.00 0.01 0.00 1 T C C 96.98 3.21 9.33 14.52 116.50 -153.30 -97.98 132.32 94.07 2.71 3.22 91.93 0.83 2.22 1.55 0.88 0.00 1.24 1.35 2 K C C 144.87 3.19 8.60 13.75 114.30 -144.84 -93.43 130.20 88.97 3.17 7.86 69.95 11.13 7.74 3.22 4.58 0.00 1.69 1.68 3 R C C 154.62 4.04 8.65 14.53 112.46 -154.84 -93.87 123.01 83.81 2.02 14.17 59.66 13.85 9.98 4.15 10.25 0.00 1.06 1.04 4 S C C 77.64 4.13 9.42 15.27 109.69 -156.56 -90.56 106.63 82.68 1.18 16.14 52.67 15.13 14.33 3.76 12.89 0.00 0.59 0.64 5 N C C 125.06 2.02 12.15 15.14 105.38 -143.88 -90.16 37.69 83.88 1.14 14.98 52.44 17.13 14.25 4.31 10.64 0.00 0.53 0.69 6 L C C 75.63 10.92 8.40 19.74 115.80 131.82 -91.76 131.78 91.45 1.27 7.29 68.27 19.79 3.54 4.50 2.44 0.00 0.44 1.02 7 D C C 88.54 3.46 15.41 19.59 109.39 -132.98 -87.42 117.44 95.85 0.42 3.74 93.32 2.02 1.09 2.70 0.50 0.00 0.14 0.23 8 S H H 55.95 10.16 11.28 22.24 94.15 -156.53 -65.02 -32.18 6.19 0.02 93.79 3.16 0.89 2.07 93.19 0.66 0.00 0.01 0.01 9 N H H 107.36 2.03 16.49 18.56 92.06 56.84 -65.92 -37.88 1.88 0.00 98.11 0.38 0.18 1.09 97.88 0.46 0.00 0.00 0.00 10 H H H 90.52 4.83 16.57 22.32 92.00 51.26 -66.01 -39.90 0.62 0.00 99.38 0.17 0.06 0.32 99.05 0.40 0.00 0.00 0.00 11 I H H 34.66 14.52 14.23 29.42 91.98 51.75 -63.99 -42.84 0.25 0.00 99.75 0.08 0.02 0.11 99.66 0.12 0.00 0.00 0.00 12 I H H 67.61 7.86 17.86 26.62 91.51 50.33 -63.76 -41.83 0.17 0.00 99.83 0.04 0.01 0.09 99.81 0.05 0.00 0.00 0.00 13 Y H H 128.97 2.06 21.31 22.00 91.81 49.86 -64.25 -42.20 0.17 0.00 99.83 0.03 0.01 0.10 99.83 0.03 0.00 0.00 0.00 14 R H H 81.77 8.52 19.41 28.74 91.92 49.67 -64.95 -41.28 0.15 0.00 99.85 0.02 0.01 0.09 99.85 0.02 0.00 0.00 0.00 15 S H H 16.62 16.98 15.45 33.01 91.49 51.21 -63.53 -41.89 0.14 0.00 99.86 0.02 0.01 0.08 99.87 0.02 0.00 0.00 0.00 16 E H H 100.68 4.73 20.78 25.84 91.83 50.71 -64.06 -41.01 0.14 0.00 99.86 0.01 0.01 0.09 99.86 0.03 0.00 0.00 0.00 17 E H H 107.62 2.39 21.52 22.90 91.99 50.02 -64.84 -41.78 0.24 0.00 99.76 0.02 0.01 0.17 99.73 0.07 0.00 0.00 0.00 18 L H H 35.39 13.43 16.21 30.46 92.15 49.57 -64.73 -41.71 0.46 0.00 99.54 0.03 0.02 0.34 99.36 0.25 0.00 0.00 0.00 19 L H H 49.91 13.81 14.43 28.64 91.49 52.41 -64.28 -36.30 1.59 0.00 98.41 0.07 0.07 1.36 96.91 1.59 0.00 0.00 0.00 20 G H H 58.17 1.27 18.77 19.06 91.32 56.08 -70.32 -21.59 17.29 0.00 82.70 0.25 0.35 17.53 80.07 1.80 0.00 0.00 0.00 21 A H H 71.49 3.78 15.74 20.38 94.98 52.34 -89.59 -10.53 45.69 0.03 54.28 0.98 1.95 42.16 52.83 2.04 0.01 0.01 0.03 22 A C C 25.98 15.83 7.39 22.42 123.64 89.19 -96.39 150.26 93.66 0.76 5.58 62.46 26.10 4.74 4.43 1.27 0.00 0.19 0.81 23 S C S 101.11 0.60 15.88 14.70 94.37 -139.68 -75.81 -22.67 98.05 0.28 1.66 12.65 70.45 15.21 0.77 0.62 0.00 0.11 0.18 24 N C C 79.34 4.34 14.56 20.31 118.87 40.51 -125.54 119.80 96.41 0.73 2.86 53.62 31.27 11.46 1.85 0.94 0.00 0.23 0.64 25 R H H 115.94 11.19 12.13 24.06 93.59 -156.47 -64.40 -35.86 5.26 0.02 94.72 1.83 1.31 2.02 94.29 0.53 0.00 0.00 0.01 26 Y H H 153.75 2.47 17.61 20.28 91.69 54.49 -63.33 -40.95 2.33 0.01 97.66 0.45 0.30 1.35 97.48 0.41 0.00 0.00 0.00 27 N H H 78.93 3.62 19.94 23.61 91.80 48.54 -65.32 -40.85 0.78 0.00 99.21 0.23 0.09 0.40 98.97 0.31 0.00 0.00 0.00 28 I H H 17.13 16.75 15.19 32.75 91.81 49.46 -63.47 -43.23 0.19 0.00 99.81 0.05 0.02 0.09 99.78 0.06 0.00 0.00 0.00 29 T H H 36.47 12.63 18.54 31.77 91.57 50.42 -63.13 -42.75 0.10 0.00 99.90 0.02 0.01 0.05 99.91 0.02 0.00 0.00 0.00 30 V H H 80.90 2.72 23.63 25.19 91.54 48.86 -64.14 -42.61 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 31 R H H 95.97 6.87 22.82 30.05 91.85 48.89 -64.55 -42.27 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 32 V H H 13.85 19.16 17.92 37.22 91.88 49.07 -64.17 -42.84 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 33 A H H 37.13 9.65 20.61 31.05 91.36 51.04 -62.77 -42.15 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 34 K H H 117.80 2.07 24.71 25.15 91.61 49.24 -64.47 -41.92 0.37 0.00 99.63 0.02 0.01 0.26 99.67 0.04 0.00 0.00 0.00 35 R H H 74.92 9.25 21.02 30.97 91.98 48.98 -64.94 -41.24 0.69 0.00 99.31 0.07 0.04 0.45 99.35 0.10 0.00 0.00 0.00 36 A H H 12.03 16.90 15.19 32.87 91.37 51.41 -63.40 -41.70 1.91 0.00 98.08 0.31 0.16 1.18 97.97 0.38 0.00 0.00 0.00 37 K H H 109.12 4.02 20.50 24.78 91.90 50.71 -64.66 -39.89 5.82 0.02 94.16 0.89 0.49 4.10 93.38 1.12 0.01 0.01 0.01 38 E H H 109.19 2.47 19.68 21.48 92.08 51.08 -66.00 -39.37 11.36 0.06 88.58 2.01 1.34 7.78 87.11 1.68 0.02 0.02 0.04 39 N H H 55.54 10.20 14.15 25.38 95.37 49.22 -72.37 -31.61 24.42 0.26 75.32 7.81 3.73 13.72 71.97 2.48 0.03 0.10 0.16 40 R H H 115.80 7.88 13.98 22.90 95.32 58.19 -68.89 -26.01 38.95 0.39 60.66 12.97 6.82 20.21 55.63 3.92 0.04 0.15 0.26 41 S C H 76.47 2.38 14.24 17.14 95.23 54.08 -75.45 -20.32 51.86 0.43 47.71 21.07 9.18 22.95 37.85 8.44 0.02 0.17 0.32 42 E C T 110.30 4.66 12.01 17.92 98.09 67.44 -75.68 -24.68 59.58 0.46 39.96 22.31 12.02 25.87 25.57 13.65 0.02 0.19 0.38 43 D C C 86.82 5.39 12.24 18.93 102.62 55.81 -83.19 26.69 69.49 0.45 30.06 38.66 8.95 22.25 17.31 12.24 0.00 0.19 0.38 44 F C C 111.18 7.74 10.32 19.23 101.57 89.50 -82.87 -0.85 66.24 0.64 33.12 38.72 11.58 15.73 16.33 16.85 0.00 0.26 0.53 45 D C C 109.69 2.25 13.31 16.46 99.62 83.36 -75.28 -12.10 68.83 0.68 30.48 32.03 13.55 23.30 12.50 17.78 0.01 0.28 0.55 46 S C C 67.15 4.84 11.78 18.06 102.01 56.36 -88.12 18.45 71.80 0.96 27.24 40.57 12.19 18.85 9.40 17.86 0.00 0.43 0.68 47 I C C 82.00 9.25 9.21 19.41 103.29 88.32 -83.74 13.94 80.63 0.91 18.46 37.62 14.22 29.54 7.08 10.42 0.00 0.39 0.72 48 D C C 116.30 2.02 12.77 15.74 100.66 75.18 -89.32 7.09 88.22 0.72 11.06 37.36 20.84 30.36 3.42 7.16 0.00 0.28 0.58 49 D C C 65.87 5.94 9.70 17.78 110.05 111.77 -97.02 111.31 98.21 0.52 1.27 75.72 20.85 1.57 0.56 0.61 0.00 0.15 0.54 50 P C T 107.85 2.87 10.44 15.32 93.43 -158.54 -64.47 -21.78 70.96 0.20 28.83 7.54 7.61 53.69 3.17 27.73 0.00 0.10 0.16 51 N C T 130.49 1.04 13.33 13.93 94.32 60.75 -78.44 -13.72 71.36 0.23 28.42 4.33 7.65 58.00 3.45 26.27 0.00 0.11 0.19 52 M C G 73.62 9.95 10.13 21.12 107.80 58.57 -103.24 71.98 67.84 1.24 30.92 23.88 18.85 25.23 5.33 25.29 0.01 0.53 0.87 53 K C C 86.02 7.43 15.92 24.51 113.67 116.64 -78.84 139.94 81.45 0.30 18.25 68.13 10.37 1.04 19.73 0.48 0.00 0.06 0.19 54 P H H 58.75 9.70 16.99 27.79 92.58 -116.84 -59.83 -36.41 2.13 0.00 97.87 0.66 0.25 0.97 97.77 0.35 0.00 0.00 0.00 55 A H H 35.25 12.84 18.41 31.22 92.32 52.17 -64.29 -40.45 0.65 0.00 99.34 0.13 0.05 0.36 99.21 0.25 0.00 0.00 0.00 56 I H H 57.54 10.03 20.24 30.72 92.12 49.16 -65.43 -41.44 0.18 0.00 99.82 0.04 0.01 0.09 99.72 0.15 0.00 0.00 0.00 57 R H H 94.12 7.96 21.84 30.44 91.84 50.35 -64.36 -41.76 0.08 0.00 99.92 0.01 0.00 0.04 99.90 0.04 0.00 0.00 0.00 58 A H H 22.37 12.38 19.04 32.53 91.61 51.31 -63.46 -43.05 0.10 0.00 99.90 0.01 0.00 0.05 99.91 0.02 0.00 0.00 0.00 59 I H H 48.15 12.39 20.11 32.50 91.89 49.55 -63.81 -43.00 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.03 0.00 0.00 0.00 60 I H H 71.84 6.76 21.28 28.60 91.75 49.12 -63.93 -42.41 0.22 0.00 99.78 0.02 0.01 0.13 99.78 0.06 0.00 0.00 0.00 61 E H H 67.96 8.16 19.35 28.54 91.88 49.75 -64.36 -41.57 1.06 0.00 98.94 0.08 0.05 0.76 98.90 0.20 0.00 0.00 0.00 62 M H H 57.68 11.77 17.16 29.34 92.10 49.50 -65.54 -39.28 4.48 0.01 95.50 0.34 0.28 3.54 95.25 0.57 0.00 0.00 0.00 63 S H H 47.02 7.64 16.99 25.30 93.22 50.24 -68.58 -35.94 18.45 0.09 81.46 2.85 2.13 13.12 79.96 1.83 0.03 0.03 0.05 64 D H H 82.58 4.00 17.52 22.00 94.21 55.51 -70.85 -28.36 42.52 0.32 57.15 9.20 5.93 27.65 50.86 5.96 0.05 0.14 0.22 65 E H H 78.93 8.82 13.71 23.60 95.30 57.52 -71.48 -20.79 48.91 0.67 50.42 18.98 6.56 23.82 36.15 13.72 0.03 0.32 0.43 66 L C T 88.62 7.79 13.14 22.06 93.23 66.10 -68.72 -22.43 60.07 0.61 39.32 19.34 8.36 32.82 25.83 12.91 0.03 0.27 0.44 67 T C T 95.16 3.00 14.67 18.37 97.30 52.69 -93.35 -4.08 70.36 0.57 29.07 23.15 10.39 37.77 16.09 11.90 0.01 0.24 0.45 68 R C C 112.15 6.59 10.58 19.04 114.32 102.98 -84.86 134.55 91.29 0.42 8.29 50.40 38.64 2.22 6.99 1.27 0.00 0.10 0.37 69 P H H 92.33 3.66 12.16 17.34 102.37 -114.69 -64.39 -5.34 41.08 0.43 58.49 14.52 5.48 19.65 30.50 29.38 0.01 0.23 0.23 70 E H H 123.82 3.90 12.45 17.63 98.24 61.99 -71.56 -14.05 36.63 1.08 62.29 10.42 5.23 19.18 32.94 31.13 0.05 0.65 0.39 71 I H H 77.37 8.69 10.24 20.01 99.78 73.83 -78.64 -20.98 32.65 4.33 63.03 14.13 6.45 12.10 32.84 30.42 0.12 2.88 1.07 72 I C H 98.81 5.98 10.20 17.61 103.47 62.12 -86.76 6.31 49.16 9.57 41.28 26.54 11.75 12.82 27.84 11.83 0.34 5.59 3.28 73 S C C 75.46 3.60 9.56 14.80 109.52 82.46 -89.60 112.22 73.44 6.18 20.38 41.61 12.28 19.93 13.98 6.22 0.03 3.87 2.08 74 D C C 105.26 3.43 8.33 13.66 107.09 -150.31 -91.82 87.03 92.43 1.94 5.63 77.61 3.02 12.35 3.39 1.64 0.00 1.21 0.79 75 N C C 127.34 1.88 11.53 14.66 104.63 -140.64 -84.46 42.85 99.93 0.04 0.03 99.71 0.14 0.10 0.01 0.00 0.00 0.02 0.01