# 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 132.99 2.76 10.24 14.66 117.72 -155.46 -98.25 138.69 99.88 0.11 0.01 99.83 0.08 0.03 0.00 0.00 0.00 0.05 0.01 1 A C C 86.91 2.28 7.41 11.61 115.20 -117.03 -83.86 136.95 88.06 9.37 2.57 85.22 1.40 1.85 1.45 0.74 0.00 5.49 3.85 2 V C C 114.56 2.14 6.71 10.71 116.76 -145.19 -99.07 133.24 84.30 11.71 3.99 67.99 12.57 3.28 2.30 1.77 0.00 7.48 4.61 3 Q C C 135.24 2.08 7.42 11.29 113.32 -122.37 -81.46 134.56 84.16 9.70 6.14 72.02 7.75 4.01 3.17 2.90 0.00 6.91 3.23 4 K C C 160.40 1.67 7.91 11.14 110.57 -151.00 -88.45 119.71 84.45 6.17 9.38 60.53 14.67 9.34 4.64 4.63 0.01 3.91 2.27 5 S C C 86.43 2.09 7.88 11.56 112.18 -126.57 -91.88 118.72 84.67 5.50 9.83 55.61 17.98 11.43 4.89 4.72 0.01 3.33 2.03 6 R C C 170.28 2.00 8.55 12.24 112.96 -156.84 -95.29 127.02 82.34 7.15 10.51 59.86 16.53 5.69 7.64 3.21 0.02 3.87 3.19 7 K C C 124.49 4.46 8.23 14.60 116.03 -124.16 -92.93 139.71 86.05 5.21 8.74 70.73 11.79 2.91 7.86 1.58 0.00 2.52 2.60 8 S C C 59.00 2.97 9.85 14.42 118.35 -120.93 -79.51 158.79 86.32 2.32 11.36 76.84 7.00 1.77 11.39 0.97 0.00 0.95 1.08 9 R H H 177.81 1.27 10.37 12.41 92.81 -108.85 -60.74 -35.99 16.60 0.45 82.95 6.65 3.52 7.70 76.52 5.15 0.04 0.24 0.18 10 S H H 74.84 1.27 11.25 12.61 92.96 54.21 -66.57 -38.06 16.14 0.74 83.12 6.08 2.89 8.34 75.88 6.03 0.07 0.48 0.23 11 R H H 126.49 2.84 11.08 15.16 93.95 50.15 -68.83 -37.70 11.99 0.89 87.12 6.16 2.41 4.91 78.70 6.91 0.05 0.65 0.22 12 R H H 124.62 3.46 11.21 16.12 92.90 54.65 -64.74 -40.44 11.81 0.77 87.42 5.51 2.17 5.23 81.68 4.64 0.05 0.50 0.22 13 D H H 96.02 1.52 12.65 14.21 93.25 51.37 -68.23 -34.41 19.21 0.71 80.08 7.13 2.73 10.04 75.05 4.32 0.05 0.47 0.21 14 M H H 113.02 2.29 11.96 15.03 94.28 54.64 -71.19 -31.31 24.73 0.96 74.30 11.13 4.21 10.39 68.88 4.46 0.05 0.54 0.34 15 R H H 132.88 4.20 10.85 16.56 95.98 60.76 -71.41 -27.86 35.25 1.76 62.98 17.96 6.14 12.26 57.44 4.57 0.05 0.90 0.68 16 R C H 151.43 2.60 11.84 15.48 97.62 57.07 -76.40 -15.46 49.38 1.80 48.82 26.80 7.32 15.61 43.63 4.94 0.03 0.87 0.80 17 S C C 68.21 3.34 10.85 15.66 102.52 74.59 -78.30 -2.49 58.93 1.46 39.61 33.94 10.36 14.68 31.90 7.69 0.02 0.69 0.72 18 H C C 125.20 3.91 10.25 15.67 103.06 75.97 -85.47 16.01 59.76 1.61 38.63 30.39 11.11 18.24 25.06 13.56 0.03 0.78 0.82 19 H C C 132.81 3.25 10.49 15.35 104.68 95.45 -86.84 25.05 62.93 2.00 35.07 28.90 14.02 20.06 19.69 15.34 0.04 1.00 0.94 20 H C C 138.30 2.47 10.91 14.69 108.35 88.35 -92.95 88.00 66.15 5.26 28.59 38.40 11.33 16.39 15.19 13.55 0.04 3.05 2.04 21 M C C 105.03 6.57 8.21 16.33 112.93 123.51 -90.43 127.25 74.00 10.08 15.92 55.74 11.09 6.66 10.60 5.66 0.02 6.05 4.19 22 T C C 103.26 2.44 11.74 15.39 108.85 -169.03 -95.99 81.07 78.85 9.64 11.51 56.59 14.57 7.23 7.89 4.02 0.02 6.16 3.52 23 V C C 103.49 3.52 10.80 15.96 116.38 22.15 -97.91 137.65 82.23 6.96 10.81 45.29 29.53 8.29 5.90 4.51 0.02 4.46 1.99 24 A C C 66.23 6.77 10.22 18.54 112.93 -116.69 -78.24 140.35 84.30 7.21 8.49 65.44 12.28 6.93 3.20 4.91 0.00 5.91 1.33 25 E C C 123.54 3.92 13.43 18.87 116.79 -154.64 -100.59 133.93 72.75 22.12 5.14 59.18 8.37 4.52 1.44 3.62 0.00 20.70 2.17 26 L C C 94.11 7.96 11.01 20.38 118.07 -130.17 -96.15 136.91 52.80 46.79 0.41 46.89 4.56 0.55 0.11 0.29 0.00 46.56 1.04 27 S E E 50.79 5.73 14.67 22.14 132.70 176.93 -133.88 160.72 9.54 90.29 0.17 8.44 1.10 0.19 0.05 0.10 0.00 89.58 0.54 28 V E E 92.90 4.83 13.52 20.22 118.33 -115.51 -100.90 134.28 3.14 96.80 0.07 2.97 0.20 0.02 0.06 0.02 0.00 88.11 8.59 29 D C C 38.09 10.84 7.85 20.21 109.42 -120.24 -76.56 122.77 81.43 18.54 0.03 81.53 0.52 0.08 0.01 0.01 0.00 17.03 0.82 30 A C T 93.08 1.19 12.54 14.13 93.08 -149.04 -68.31 -24.11 99.82 0.08 0.09 0.41 4.65 94.78 0.00 0.08 0.00 0.06 0.01 31 T C T 106.39 1.27 11.77 13.26 98.55 45.23 -79.77 -38.21 99.89 0.03 0.09 0.08 2.57 97.28 0.00 0.05 0.00 0.01 0.00 32 T C T 76.88 3.20 10.95 15.53 101.83 21.42 -105.18 -15.93 99.86 0.06 0.08 0.45 3.87 95.57 0.00 0.06 0.00 0.03 0.01 33 G C C 51.73 2.63 11.56 15.73 95.44 -123.68 78.36 6.48 99.30 0.65 0.05 87.47 7.90 3.95 0.01 0.05 0.00 0.37 0.26 34 E C C 99.45 3.63 12.25 17.85 119.41 138.07 -80.47 147.34 95.92 4.07 0.01 93.69 2.49 0.07 0.00 0.01 0.00 3.47 0.26 35 K E E 131.28 4.41 14.43 20.59 115.68 -117.81 -83.14 136.87 2.29 97.70 0.01 2.31 0.10 0.01 0.00 0.00 0.00 95.31 2.26 36 H E E 55.91 12.73 10.99 24.56 131.57 -171.73 -132.35 155.38 3.18 96.81 0.00 3.10 0.11 0.01 0.00 0.00 0.00 96.07 0.71 37 R C E 120.08 4.93 16.91 22.64 116.72 -107.55 -79.41 145.46 49.49 49.35 1.15 44.53 2.89 1.12 0.10 1.30 0.00 48.60 1.46 38 R C T 117.16 9.11 15.10 24.82 107.96 -92.62 -63.02 142.00 86.30 5.18 8.52 13.07 23.57 49.01 0.30 9.32 0.00 4.11 0.62 39 H C T 105.11 9.13 16.45 26.03 95.74 22.76 58.38 13.86 85.66 5.58 8.77 16.29 23.71 44.80 0.34 9.67 0.00 4.55 0.64 40 H C C 80.35 8.12 17.61 26.89 122.72 108.05 -108.70 141.24 67.44 27.43 5.13 50.15 13.90 3.95 0.59 4.98 0.00 21.75 4.68 41 M E C 67.15 12.94 13.35 26.85 121.16 -149.47 -105.02 139.69 42.65 56.95 0.40 37.43 3.32 0.49 0.23 0.23 0.00 32.45 25.86 42 T C C 40.56 9.04 13.54 24.35 122.53 -132.56 -86.10 166.46 70.13 29.66 0.21 66.17 2.91 0.52 0.08 0.14 0.00 24.50 5.68 43 K C T 163.33 1.82 15.08 17.66 91.42 -98.23 -63.82 -25.78 96.78 2.93 0.30 2.32 15.03 79.67 0.02 0.31 0.00 2.39 0.26 44 D C T 96.32 3.01 15.71 19.27 94.25 55.26 -89.81 -3.17 98.33 1.45 0.22 2.47 16.83 79.11 0.01 0.25 0.00 1.23 0.11 45 G C C 15.58 13.54 12.96 27.09 108.55 -103.41 95.42 9.17 68.87 30.96 0.17 44.86 23.84 1.14 0.03 0.19 0.00 28.07 1.87 46 F E E 74.63 7.81 14.95 24.64 125.62 127.14 -114.98 144.74 9.32 90.61 0.07 8.88 0.37 0.04 0.05 0.03 0.00 80.43 10.21 47 Y E E 78.05 11.53 11.28 23.96 120.83 -167.33 -129.63 125.41 10.42 89.18 0.39 6.73 2.25 1.66 0.14 0.28 0.01 82.20 6.72 48 R C T 176.01 2.40 13.73 17.26 92.95 -13.11 53.62 42.10 98.55 0.69 0.76 0.74 3.43 94.60 0.09 0.53 0.00 0.50 0.11 49 G C T 63.28 1.26 12.93 14.35 94.57 -50.76 78.50 3.43 99.14 0.19 0.67 0.79 4.32 94.12 0.06 0.56 0.00 0.14 0.03 50 R E E 144.34 2.73 12.50 16.83 121.88 110.53 -107.88 138.39 15.32 84.07 0.61 8.04 6.78 2.13 0.30 0.38 0.01 73.91 8.46 51 Q E E 108.71 5.37 12.47 19.55 110.59 -112.51 -72.39 128.56 24.14 75.54 0.32 22.04 1.29 0.31 0.16 0.17 0.00 69.46 6.57 52 L C C 75.30 9.46 11.80 22.32 101.20 -166.73 -88.34 -23.77 80.74 15.57 3.68 59.49 15.33 5.26 1.76 2.13 0.00 14.62 1.41 53 F C C 101.99 7.54 11.69 20.50 123.30 35.60 -122.56 134.06 74.56 19.15 6.29 48.23 19.46 7.41 3.04 3.51 0.03 14.50 3.82 54 K C C 143.85 2.68 12.90 17.08 113.89 -143.59 -93.59 126.79 79.81 14.99 5.20 67.50 7.81 3.98 2.27 3.10 0.00 11.77 3.58 55 V C C 87.55 6.62 8.30 16.42 114.63 -156.85 -99.17 130.08 80.59 8.61 10.80 62.30 10.84 7.07 3.89 7.17 0.01 6.20 2.53 56 S C C 83.84 2.36 9.56 13.46 111.62 -140.06 -88.47 128.89 81.13 4.91 13.96 39.95 24.80 16.97 2.98 10.70 0.01 3.34 1.25 57 Q C C 139.46 1.95 8.65 12.19 109.33 -140.27 -91.35 102.51 79.60 5.82 14.58 41.22 21.54 17.41 2.99 11.46 0.01 3.76 1.60 58 E C C 143.61 2.10 7.86 11.76 109.94 -115.07 -87.99 122.34 86.35 5.07 8.59 78.35 2.03 7.20 2.93 4.29 0.00 3.39 1.81 59 A C C 78.82 3.78 9.26 14.76 109.55 -136.89 -85.09 118.76 99.77 0.17 0.06 99.65 0.11 0.09 0.02 0.01 0.00 0.09 0.02