# 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 107.46 4.85 10.82 17.18 112.84 -159.05 -96.59 121.74 99.70 0.16 0.14 99.60 0.11 0.09 0.09 0.01 0.00 0.08 0.03 1 W C C 166.53 2.89 8.50 12.85 104.52 98.69 -83.89 -7.07 63.97 3.86 32.17 57.31 1.20 6.27 28.11 3.48 0.00 1.97 1.67 2 R H H 166.21 1.46 8.23 10.73 97.96 78.49 -72.37 -33.20 38.23 2.57 59.19 21.53 6.88 11.71 48.15 9.21 0.07 1.63 0.82 3 I H H 121.29 1.48 8.51 10.89 95.20 60.95 -69.38 -36.03 17.78 1.47 80.75 7.28 3.12 7.51 60.06 20.51 0.06 1.15 0.30 4 W H H 163.95 2.43 8.42 12.30 96.01 53.73 -72.67 -31.47 10.18 0.74 89.09 3.47 1.50 4.70 63.88 25.66 0.02 0.63 0.12 5 L H H 108.80 2.79 8.88 13.16 96.33 57.02 -73.34 -28.48 13.96 0.66 85.37 3.43 1.97 7.52 63.30 23.07 0.06 0.47 0.16 6 L H H 121.12 1.53 10.50 12.59 97.78 49.05 -81.26 -24.93 26.71 0.83 72.46 5.32 4.33 16.93 58.79 13.56 0.21 0.49 0.36 7 F H H 125.47 3.50 9.47 14.59 112.86 50.77 -98.79 112.57 48.78 1.88 49.34 14.16 20.63 16.70 42.28 3.87 0.42 0.65 1.28 8 D C C 73.49 4.15 10.46 16.47 109.18 -132.81 -96.72 112.58 95.19 0.25 4.56 88.45 5.13 1.18 4.75 0.29 0.00 0.08 0.12 9 P H H 83.72 3.92 10.92 16.76 93.72 -160.11 -62.24 -33.42 14.44 0.09 85.46 5.16 1.65 7.65 81.55 3.90 0.01 0.04 0.05 10 R H H 149.17 1.96 13.02 15.46 92.44 54.85 -65.65 -38.92 7.09 0.05 92.86 1.30 0.72 4.83 88.90 4.18 0.02 0.02 0.02 11 R H H 131.22 2.28 13.65 16.46 92.47 50.06 -66.36 -39.77 4.50 0.05 95.45 1.18 0.50 2.63 90.77 4.86 0.01 0.03 0.02 12 A H H 50.92 3.42 12.66 17.64 92.11 51.26 -64.05 -41.12 3.52 0.05 96.43 1.19 0.43 1.78 94.91 1.64 0.01 0.02 0.02 13 L H H 90.69 2.59 14.08 17.34 92.00 50.45 -65.29 -40.80 1.65 0.01 98.33 0.55 0.19 0.76 98.17 0.31 0.00 0.00 0.00 14 V H H 83.06 2.05 14.63 16.75 91.83 50.06 -64.51 -41.61 0.43 0.00 99.57 0.11 0.03 0.21 99.54 0.11 0.00 0.00 0.00 15 L H H 89.73 2.09 14.58 16.84 91.67 49.93 -64.25 -41.07 0.22 0.00 99.78 0.04 0.01 0.12 99.76 0.08 0.00 0.00 0.00 16 L H H 90.93 2.62 14.28 17.56 91.91 50.01 -64.89 -40.68 0.20 0.00 99.80 0.02 0.01 0.12 99.79 0.06 0.00 0.00 0.00 17 F H H 114.74 2.72 14.35 17.73 91.95 50.52 -64.85 -40.72 0.22 0.00 99.78 0.02 0.01 0.14 99.78 0.05 0.00 0.00 0.00 18 V H H 87.95 1.78 15.24 16.67 91.99 50.32 -64.83 -41.44 0.19 0.00 99.80 0.02 0.01 0.13 99.82 0.03 0.00 0.00 0.00 19 F H H 120.93 1.92 15.13 16.91 92.07 49.55 -65.14 -41.24 0.21 0.00 99.79 0.02 0.01 0.14 99.80 0.03 0.00 0.00 0.00 20 L H H 88.10 3.33 14.45 18.71 92.17 50.29 -64.62 -41.34 0.11 0.00 99.89 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 21 F H H 117.65 2.68 15.29 18.38 92.07 50.10 -64.63 -41.02 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 22 G H H 39.09 1.90 16.11 17.57 91.85 50.28 -64.21 -41.68 0.10 0.00 99.90 0.01 0.00 0.07 99.91 0.02 0.00 0.00 0.00 23 L H H 88.82 2.55 16.11 18.78 92.16 49.51 -65.19 -41.52 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 24 A H H 45.99 5.15 14.12 20.95 91.73 51.36 -63.21 -41.57 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 25 I H H 95.63 2.59 16.36 19.10 91.77 50.48 -64.68 -41.41 0.09 0.00 99.91 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 26 I H H 97.68 1.83 16.96 18.03 91.88 50.05 -64.47 -41.84 0.10 0.00 99.90 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 27 I H H 82.10 4.18 15.61 20.69 91.97 49.37 -64.62 -42.09 0.11 0.00 99.89 0.01 0.00 0.07 99.88 0.03 0.00 0.00 0.00 28 H H H 84.51 6.56 14.27 22.19 91.91 50.77 -63.82 -41.18 0.18 0.00 99.82 0.01 0.01 0.14 99.76 0.09 0.00 0.00 0.00 29 F H H 121.57 2.11 16.19 18.18 91.80 50.63 -64.56 -41.10 0.25 0.00 99.75 0.01 0.01 0.21 99.58 0.20 0.00 0.00 0.00 30 I H H 98.16 2.05 16.07 17.81 92.02 49.64 -65.14 -41.43 0.56 0.00 99.44 0.02 0.02 0.48 98.98 0.49 0.00 0.00 0.00 31 L H H 67.59 7.03 12.94 21.51 92.40 49.83 -65.96 -38.03 2.57 0.01 97.42 0.10 0.11 2.36 96.15 1.26 0.00 0.00 0.00 32 L H H 89.71 5.75 12.46 19.79 92.55 53.88 -72.27 -24.52 20.38 0.05 79.57 0.72 0.88 19.07 77.30 1.94 0.03 0.02 0.03 33 S C T 83.57 1.55 13.95 15.44 94.99 56.18 -86.31 -6.10 60.82 0.31 38.87 4.55 4.70 49.71 37.87 2.80 0.04 0.12 0.21 34 T C S 55.71 6.51 8.53 17.17 118.58 95.47 -85.32 146.90 89.06 2.02 8.93 31.40 50.35 6.80 7.32 1.83 0.01 0.59 1.70 35 S C T 95.64 1.28 12.23 14.04 94.65 -134.07 -70.37 -21.20 65.04 0.57 34.39 9.67 15.92 40.32 11.31 22.00 0.02 0.27 0.48 36 R C T 162.68 2.15 12.23 15.36 96.06 65.61 -78.84 -17.54 63.47 0.68 35.85 8.85 12.54 42.13 11.93 23.67 0.03 0.33 0.53 37 F C T 90.84 8.50 9.52 19.21 106.02 50.53 -100.26 54.75 60.13 2.72 37.15 21.24 14.39 26.03 11.86 23.45 0.08 1.26 1.68 38 N C C 76.13 5.99 11.93 19.58 105.68 124.29 -86.28 74.03 73.21 3.61 23.19 49.52 11.14 12.16 11.19 12.05 0.01 1.74 2.19 39 W C T 154.90 5.26 11.83 18.62 94.59 75.32 -73.23 -17.94 65.93 1.60 32.47 14.41 13.72 38.48 10.23 21.21 0.05 0.76 1.13 40 L C T 110.10 3.47 11.91 16.66 98.03 60.04 -86.43 -9.46 67.93 2.45 29.61 16.56 14.88 37.61 9.47 18.67 0.08 1.18 1.54 41 D C C 101.72 3.22 11.73 16.37 106.24 75.15 -87.03 50.07 73.89 2.69 23.42 37.53 19.43 17.44 9.09 13.57 0.01 1.11 1.82 42 G C C 36.17 5.08 11.50 18.17 126.83 42.99 114.12 -176.49 75.52 1.02 23.45 42.92 24.73 8.51 18.53 4.25 0.00 0.37 0.69 43 P H H 92.85 2.95 13.01 16.79 104.37 -46.92 -68.20 133.67 47.64 0.83 51.54 28.25 8.42 11.86 42.33 8.34 0.01 0.40 0.40 44 R H H 149.50 3.45 11.99 16.78 96.32 23.72 -68.01 -31.79 32.48 1.19 66.33 19.41 5.63 8.81 54.74 10.26 0.03 0.67 0.44 45 A H H 57.50 5.14 11.48 18.29 95.12 58.53 -67.29 -35.69 26.80 1.22 71.97 17.02 4.63 6.52 59.88 10.81 0.02 0.73 0.38 46 A H H 62.40 4.05 12.32 17.77 94.97 54.44 -68.76 -33.98 29.70 1.32 68.98 19.17 5.31 6.90 58.95 8.47 0.02 0.76 0.42 47 K H H 131.83 3.00 13.00 17.06 96.46 55.28 -72.90 -28.43 36.08 1.49 62.43 22.87 6.24 8.50 54.55 6.48 0.02 0.82 0.52 48 A H H 64.09 4.86 10.73 17.21 98.55 63.02 -74.27 -25.86 42.59 1.80 55.61 27.90 7.29 8.71 48.10 6.36 0.02 0.99 0.62 49 A C H 76.69 3.33 11.14 15.94 100.70 65.54 -77.58 -17.60 50.72 2.92 46.35 33.57 7.65 10.08 39.31 6.69 0.02 1.79 0.91 50 S C C 81.69 2.86 10.44 14.68 104.37 62.60 -86.33 22.14 59.64 5.92 34.44 39.38 8.15 11.85 27.80 7.06 0.03 4.02 1.71 51 I C C 114.78 4.07 8.77 14.64 111.19 101.96 -93.20 115.68 66.11 9.45 24.44 42.60 11.85 11.21 19.75 5.53 0.06 6.45 2.55 52 S C C 87.25 2.04 9.71 13.32 113.48 -158.63 -96.24 126.83 74.33 9.30 16.37 49.29 13.60 10.79 12.68 4.53 0.03 6.39 2.70 53 L C C 113.80 3.85 8.18 14.00 116.67 -153.71 -94.38 136.07 87.21 6.47 6.32 57.29 25.87 4.53 3.93 2.35 0.00 4.34 1.69 54 P C C 107.86 2.04 9.96 13.43 111.77 -105.88 -71.22 141.67 88.35 5.55 6.10 72.06 9.85 6.62 2.65 3.15 0.00 4.29 1.38 55 F C C 156.53 2.88 8.18 13.02 111.99 -137.75 -90.90 127.18 88.02 7.88 4.09 69.15 13.56 4.98 1.75 2.31 0.00 4.54 3.71 56 T C C 105.27 1.88 9.46 12.86 117.13 -149.31 -101.22 131.76 95.66 4.06 0.29 75.66 19.57 0.68 0.12 0.16 0.00 2.14 1.68 57 P C C 94.79 3.51 8.33 13.99 115.93 -107.62 -68.32 149.06 98.92 0.73 0.35 91.27 6.58 1.14 0.09 0.24 0.00 0.40 0.28 58 P C C 102.23 2.70 8.52 12.98 112.85 -103.19 -66.39 148.86 96.34 0.88 2.78 66.00 11.56 18.32 0.46 2.75 0.00 0.51 0.40 59 S C C 97.23 1.06 8.47 10.55 111.73 -110.36 -83.34 135.08 92.05 3.90 4.05 53.75 17.92 19.92 0.57 4.10 0.00 2.12 1.60 60 M C C 134.64 2.40 6.53 10.99 117.20 -131.98 -96.24 135.85 93.56 5.69 0.75 56.24 35.93 1.87 0.19 0.55 0.00 3.18 2.04 61 P C C 112.29 1.44 8.05 10.91 111.54 -106.17 -69.37 144.39 96.16 3.44 0.40 93.81 1.58 1.19 0.13 0.17 0.00 1.98 1.15 62 V C C 118.12 2.51 8.78 13.06 110.20 -123.09 -87.13 127.09 99.82 0.17 0.01 99.74 0.12 0.04 0.00 0.00 0.00 0.08 0.02