# 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 125.74 3.81 9.30 14.98 118.53 -161.58 -100.90 136.50 99.43 0.46 0.11 99.11 0.32 0.14 0.05 0.02 0.00 0.24 0.11 1 S C C 82.65 2.22 7.86 11.85 116.55 -143.97 -94.34 143.37 84.80 4.46 10.74 77.40 2.11 6.54 5.26 3.91 0.00 2.72 2.07 2 E C C 153.80 1.30 7.35 9.96 110.57 -121.09 -87.71 127.40 78.17 5.33 16.50 47.62 18.81 12.23 6.64 9.39 0.01 3.23 2.08 3 K C C 156.87 1.64 7.02 10.25 112.74 -133.48 -87.03 130.84 78.56 4.72 16.72 51.96 16.28 10.53 6.33 10.13 0.01 2.90 1.88 4 K C C 159.73 1.55 7.46 10.48 112.15 -144.45 -93.87 126.74 82.16 4.75 13.09 58.58 16.14 7.40 6.14 6.76 0.01 2.50 2.48 5 Q C C 132.83 1.90 7.54 11.19 116.42 -135.24 -95.51 132.94 93.49 2.84 3.67 74.74 16.78 1.97 2.40 1.25 0.00 1.39 1.47 6 P C C 106.86 2.15 7.97 11.98 113.26 -108.05 -69.52 142.25 89.45 3.88 6.66 82.05 4.59 2.98 4.28 2.10 0.00 2.12 1.88 7 V C C 110.19 2.75 6.99 11.74 114.47 -133.08 -94.76 134.83 85.36 4.53 10.11 69.32 9.74 5.92 6.20 3.91 0.00 2.56 2.34 8 D C C 118.40 1.48 8.75 11.41 109.42 -137.28 -91.52 109.85 83.95 4.46 11.59 65.06 10.58 7.95 5.92 5.71 0.00 2.61 2.17 9 L C C 124.28 2.51 6.96 11.21 102.37 -161.77 -90.29 6.45 71.71 3.62 24.67 33.46 11.99 27.39 7.59 15.91 0.03 2.04 1.58 10 G C T 57.16 1.67 9.02 11.84 102.33 -137.07 30.86 -3.95 70.98 4.11 24.91 25.33 14.80 32.39 6.71 16.75 0.06 2.37 1.60 11 L C C 131.94 1.38 8.06 10.53 104.67 66.65 -91.89 42.13 66.85 8.57 24.58 37.09 15.17 15.85 6.95 16.83 0.05 5.23 2.82 12 L C C 118.66 2.92 6.77 11.62 114.80 100.94 -91.57 131.24 70.71 15.72 13.57 48.47 13.62 7.94 7.08 6.91 0.11 9.64 6.23 13 E C C 146.26 1.57 8.39 11.46 116.30 -148.67 -97.38 135.10 76.37 13.67 9.97 59.80 9.50 6.32 5.89 4.45 0.03 9.64 4.37 14 E C C 142.97 2.35 7.54 11.79 115.10 -127.25 -89.77 134.60 79.23 8.23 12.54 52.96 13.25 13.01 6.44 6.09 0.02 5.70 2.52 15 D C C 103.99 2.78 7.54 12.12 113.03 -151.77 -94.99 128.61 82.41 3.10 14.49 46.85 16.81 19.05 6.56 7.67 0.01 1.72 1.34 16 D C C 121.49 1.57 8.16 11.02 101.47 -147.73 -90.15 16.49 77.03 2.52 20.45 38.45 18.65 20.44 8.19 11.73 0.02 1.23 1.28 17 E C C 145.49 1.46 8.29 10.85 109.58 109.27 -89.46 111.89 72.58 3.78 23.64 38.02 16.72 18.25 9.73 13.49 0.04 2.04 1.71 18 F C C 141.72 3.51 6.36 11.72 113.21 88.88 -93.83 126.41 70.58 6.17 23.25 46.10 12.28 11.88 9.54 13.99 0.03 3.65 2.52 19 E C C 140.08 1.95 8.88 12.39 118.15 -148.05 -94.74 137.95 74.54 6.30 19.16 52.66 12.05 9.66 8.42 11.00 0.02 4.12 2.06 20 E C C 149.22 1.75 8.94 12.30 114.75 -118.24 -86.76 134.50 77.90 7.94 14.17 54.77 14.71 8.49 6.47 7.62 0.03 4.75 3.16 21 F C C 125.17 4.98 6.58 13.39 116.45 -123.85 -89.72 137.05 92.63 4.92 2.45 72.95 18.35 1.39 1.73 0.81 0.00 2.75 2.02 22 P C C 94.82 2.08 10.13 13.38 112.51 -108.14 -68.43 145.36 84.22 5.55 10.23 76.75 4.11 3.80 5.13 4.41 0.00 3.41 2.39 23 A C C 82.78 3.00 7.38 12.15 106.98 -130.30 -80.00 107.44 55.89 3.98 40.13 34.75 10.33 11.03 9.63 30.53 0.01 2.38 1.34 24 E C G 144.79 1.61 8.52 11.42 110.52 67.94 -86.70 125.03 51.90 4.81 43.28 27.77 11.23 14.28 9.47 32.85 0.02 3.04 1.34 25 D C C 116.90 1.57 9.17 11.72 106.43 -98.20 -89.56 87.54 55.86 4.07 40.06 34.29 9.50 12.39 8.24 31.85 0.01 2.54 1.19 26 W C C 154.31 4.75 6.40 12.76 104.05 144.90 -91.17 40.86 76.87 3.39 19.74 55.79 10.87 9.72 8.53 11.45 0.00 1.76 1.88 27 A C C 85.91 1.63 9.14 12.01 105.39 142.48 -79.71 80.19 81.35 2.67 15.98 41.66 13.68 26.66 6.70 8.55 0.01 1.34 1.40 28 G C C 57.06 1.79 9.56 12.48 105.00 15.75 64.86 11.41 81.95 2.44 15.61 31.62 20.67 30.74 4.83 9.73 0.01 1.16 1.24 29 L C C 115.17 3.13 7.61 12.48 109.97 122.95 -88.52 111.45 81.47 3.43 15.11 50.28 17.48 13.53 5.55 9.60 0.01 1.71 1.84 30 D C C 109.80 2.13 8.41 12.13 109.39 -146.08 -91.91 109.41 83.85 3.30 12.85 60.36 11.20 11.94 5.61 7.39 0.00 1.83 1.67 31 E C C 139.74 2.47 8.08 12.23 109.03 -152.36 -90.91 105.94 83.22 2.81 13.97 53.17 15.83 14.23 6.92 6.95 0.01 1.44 1.45 32 D C C 110.64 2.15 8.12 11.76 108.25 80.36 -90.15 102.02 84.69 2.07 13.24 57.51 12.79 14.23 6.69 6.56 0.00 1.07 1.14 33 E C C 141.73 2.26 7.67 11.65 104.35 -163.24 -84.64 32.47 75.40 1.89 22.70 42.41 13.59 19.54 10.81 11.65 0.01 0.95 1.03 34 D C C 122.53 1.26 8.90 10.92 104.97 58.30 -89.30 57.86 73.21 2.09 24.70 40.94 12.52 20.07 10.93 13.38 0.01 1.08 1.06 35 A C C 73.99 3.60 7.57 13.01 114.60 143.46 -93.44 132.29 69.71 2.98 27.30 43.74 13.66 12.10 12.31 15.23 0.01 1.67 1.28 36 H C C 139.27 2.72 8.71 13.26 112.28 -156.78 -96.89 117.09 70.58 6.82 22.60 51.81 8.71 9.49 10.67 12.34 0.02 4.33 2.63 37 V C C 103.64 3.42 8.60 13.90 114.76 -169.51 -101.80 124.50 73.09 9.86 17.05 55.18 9.95 7.40 9.84 7.56 0.03 6.18 3.87 38 W C C 173.03 3.32 7.93 13.14 114.71 -147.74 -94.71 130.17 74.44 9.59 15.97 55.25 10.63 7.87 8.54 7.85 0.02 5.95 3.89 39 E C C 125.43 3.14 8.72 13.70 115.82 -153.77 -96.29 134.83 76.85 5.51 17.64 58.21 9.69 8.38 6.70 11.33 0.01 3.52 2.15 40 D C T 120.02 1.73 9.21 12.34 102.39 -137.83 -77.22 5.33 80.07 3.31 16.62 24.42 15.78 40.60 4.54 11.36 0.04 1.87 1.39 41 N C T 121.68 1.65 10.28 12.82 103.95 47.43 -98.90 48.65 84.77 2.72 12.51 35.34 12.30 37.66 3.10 8.92 0.01 1.50 1.16 42 W C C 138.19 6.56 6.88 14.94 111.92 156.62 -87.25 125.03 87.61 5.08 7.31 70.03 8.67 8.48 2.79 4.47 0.00 2.66 2.89 43 D C C 100.86 2.68 9.86 14.07 111.59 -158.98 -100.67 110.13 89.58 4.28 6.13 69.87 9.36 10.21 2.48 3.46 0.00 2.32 2.30 44 D C C 99.07 4.00 8.17 14.02 105.11 -160.08 -89.48 38.70 83.03 3.21 13.76 49.21 14.96 19.02 4.91 8.61 0.01 1.62 1.65 45 D C T 115.16 1.67 9.59 12.34 100.47 131.04 -84.47 -0.53 82.44 2.03 15.53 29.73 21.51 32.08 6.24 8.37 0.03 0.93 1.10 46 N C C 117.94 2.17 9.62 12.88 102.66 76.23 -90.88 22.40 79.37 3.23 17.39 40.45 18.03 21.56 8.30 8.35 0.04 1.47 1.79 47 V C C 91.77 4.23 8.30 14.46 113.69 128.10 -93.21 127.36 68.47 3.90 27.62 43.75 13.56 11.31 20.88 6.62 0.06 1.92 1.91 48 E C C 136.78 2.49 10.87 14.71 109.44 -147.74 -87.74 112.20 66.48 3.24 30.28 42.90 11.43 12.32 24.20 6.01 0.03 1.65 1.45 49 D C C 78.59 5.49 9.91 17.09 112.78 92.25 -92.60 130.41 60.27 2.11 37.62 40.75 11.33 8.82 32.59 4.58 0.03 1.00 0.90 50 D H H 99.45 2.46 13.11 16.22 96.37 -132.28 -70.57 -28.37 29.00 0.86 70.14 18.40 5.88 6.08 66.87 2.05 0.02 0.38 0.32 51 F H H 104.30 4.21 12.93 18.52 93.60 57.34 -66.77 -40.42 6.89 0.17 92.93 3.29 1.14 2.80 91.43 1.17 0.01 0.09 0.05 52 S H H 43.62 5.97 12.66 20.38 92.18 52.42 -64.90 -40.53 2.51 0.09 97.40 1.19 0.40 1.12 96.46 0.75 0.01 0.06 0.02 53 N H H 90.26 2.17 15.94 17.98 92.20 51.05 -65.41 -39.85 1.18 0.04 98.78 0.46 0.19 0.59 98.29 0.43 0.00 0.03 0.01 54 Q H H 102.32 2.20 16.20 18.27 92.26 50.92 -65.44 -40.89 0.70 0.03 99.27 0.22 0.10 0.38 99.06 0.22 0.00 0.01 0.00 55 L H H 72.04 5.85 14.65 21.83 91.96 50.05 -64.96 -41.50 0.44 0.01 99.54 0.11 0.05 0.26 99.44 0.13 0.00 0.01 0.00 56 R H H 119.13 4.24 15.75 20.97 91.98 51.21 -64.19 -40.95 0.44 0.01 99.55 0.09 0.04 0.29 99.45 0.13 0.00 0.01 0.00 57 A H H 53.55 2.06 16.52 18.28 91.70 50.73 -63.80 -41.06 0.56 0.02 99.43 0.08 0.05 0.40 99.29 0.17 0.00 0.01 0.00 58 E H H 88.78 3.07 15.39 19.15 91.89 50.26 -64.43 -40.73 0.82 0.02 99.17 0.12 0.07 0.59 98.96 0.25 0.00 0.01 0.00 59 L H H 59.94 6.66 11.60 20.12 92.25 50.71 -65.07 -40.30 1.62 0.02 98.35 0.32 0.14 1.10 97.83 0.58 0.00 0.01 0.00 60 E H H 126.22 1.97 13.13 15.72 92.29 51.05 -65.36 -38.62 4.40 0.03 95.57 0.54 0.29 3.40 94.80 0.93 0.01 0.01 0.01 61 K H H 155.31 0.90 13.02 13.13 92.69 51.55 -68.84 -30.09 13.74 0.07 86.19 0.81 0.78 12.24 85.13 0.95 0.04 0.03 0.03 62 H C T 121.81 2.95 10.73 14.82 98.52 45.28 -91.30 -4.16 63.14 0.34 36.51 2.92 4.87 52.86 37.34 1.58 0.07 0.12 0.24 63 G C T 52.94 2.24 12.15 15.22 100.70 -112.03 75.62 11.48 88.14 0.68 11.18 16.04 8.74 63.37 8.07 3.12 0.00 0.33 0.33 64 Y C C 130.94 5.70 8.91 16.13 107.40 111.56 -87.99 83.62 74.77 3.16 22.07 53.10 10.04 11.41 10.91 11.38 0.01 1.81 1.35 65 K C C 139.44 3.11 10.37 15.07 107.44 130.89 -86.08 69.61 67.87 5.70 26.44 42.98 12.34 12.85 11.07 15.28 0.04 3.61 1.82 66 M C C 129.45 3.12 9.07 13.92 108.39 63.00 -88.28 83.05 68.33 7.02 24.65 44.19 12.67 12.09 9.67 14.69 0.04 4.77 1.87 67 E C C 136.61 2.91 8.46 13.12 111.21 -137.80 -89.13 116.36 74.44 8.07 17.49 51.88 11.84 11.05 7.91 9.32 0.03 5.68 2.31 68 T C C 105.01 2.28 7.77 11.85 113.37 -159.48 -99.83 126.67 88.74 4.88 6.38 79.12 2.96 7.41 2.97 2.50 0.00 3.52 1.51 69 S C C 89.05 2.04 10.27 13.74 111.90 -137.86 -91.29 126.26 99.51 0.40 0.09 99.08 0.33 0.20 0.05 0.02 0.00 0.27 0.06