# 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 115.70 4.66 9.89 16.35 115.91 -146.24 -87.80 139.32 99.93 0.06 0.01 99.82 0.10 0.04 0.00 0.00 0.00 0.02 0.01 1 S C C 83.77 2.24 8.59 12.46 113.05 -120.13 -82.00 139.13 90.96 4.37 4.67 86.65 1.32 3.88 1.79 1.96 0.00 2.22 2.18 2 R C C 180.14 1.74 7.82 10.97 105.34 -139.81 -86.47 38.19 80.49 9.20 10.31 53.39 15.70 11.17 2.94 7.40 0.01 5.33 4.06 3 E C C 143.79 1.90 8.17 11.64 110.71 76.26 -86.16 124.34 77.61 10.02 12.38 48.48 15.77 13.84 2.80 9.57 0.01 6.90 2.64 4 G C C 54.53 2.56 8.64 12.80 111.52 -137.43 -95.43 139.22 79.84 10.53 9.63 53.56 13.84 12.82 2.33 7.36 0.01 7.66 2.42 5 F C C 146.60 3.50 7.74 13.21 115.94 -136.33 -97.25 129.72 78.80 17.16 4.04 59.86 12.96 5.10 1.51 2.72 0.01 11.15 6.69 6 Q C C 135.63 1.89 9.92 13.40 118.79 -161.47 -107.69 135.19 82.84 16.08 1.09 66.72 14.19 1.57 0.53 0.63 0.00 9.74 6.62 7 I C C 118.46 3.96 8.22 14.29 115.73 -119.63 -82.47 136.99 94.78 4.72 0.50 83.73 10.46 0.79 0.24 0.24 0.00 3.43 1.12 8 P C C 94.25 3.69 8.78 14.42 112.55 -106.24 -67.74 146.08 92.57 2.78 4.65 81.73 5.34 5.79 1.75 2.49 0.00 1.89 1.01 9 T C C 110.72 1.70 8.99 12.11 110.09 -141.93 -93.59 115.42 81.52 6.19 12.30 49.46 17.75 14.50 5.10 6.90 0.01 3.20 3.08 10 N C C 120.65 2.00 8.56 12.15 112.27 -128.77 -93.92 121.35 75.11 7.29 17.61 42.94 18.93 13.65 8.58 8.64 0.04 3.89 3.32 11 L C C 117.98 3.14 7.90 12.90 109.06 -160.44 -89.72 110.96 72.40 4.94 22.66 46.75 12.96 12.78 13.04 9.43 0.01 2.87 2.15 12 D C C 110.99 1.96 9.30 12.51 108.34 -141.50 -87.34 110.47 72.54 4.07 23.39 46.16 12.38 14.14 14.13 9.00 0.01 2.25 1.92 13 A C C 81.51 2.90 8.82 13.33 101.84 -134.83 -79.45 -1.90 67.80 4.05 28.15 39.39 14.07 15.03 16.82 10.64 0.03 2.17 1.85 14 A C C 81.67 2.37 9.36 13.14 105.04 88.50 -83.94 40.61 69.55 5.02 25.43 42.21 12.78 14.97 14.69 10.29 0.03 2.84 2.20 15 A C C 76.26 3.41 8.54 13.64 107.89 97.04 -87.29 101.31 72.52 6.29 21.18 45.07 12.37 15.20 11.36 9.58 0.03 3.61 2.77 16 A C C 83.41 2.55 9.10 13.28 109.25 -128.20 -87.45 111.40 78.87 5.97 15.16 38.23 16.51 25.36 6.74 7.42 0.03 3.30 2.39 17 G C C 53.85 2.59 9.88 13.92 111.70 27.48 98.28 105.19 84.79 5.66 9.55 38.91 21.70 25.27 3.18 5.69 0.01 3.15 2.09 18 T C C 101.28 2.70 9.12 13.48 110.08 -103.16 -90.55 117.53 81.20 8.50 10.29 48.34 19.28 14.02 4.06 6.03 0.03 4.84 3.41 19 S C C 84.04 2.60 9.66 13.83 109.20 -140.29 -91.53 112.56 79.60 8.75 11.65 48.91 18.17 13.10 4.36 7.05 0.02 5.46 2.93 20 Q C C 129.52 2.85 10.03 14.56 109.01 -143.15 -90.57 103.17 77.70 9.60 12.70 53.46 15.36 9.24 4.83 7.73 0.02 6.49 2.88 21 A C C 72.93 4.59 9.68 16.10 113.73 -124.66 -86.05 132.11 77.66 10.96 11.38 60.92 10.41 6.27 4.55 6.74 0.01 7.68 3.41 22 R C C 155.22 3.88 11.05 16.81 115.13 -138.66 -91.18 133.39 79.36 11.11 9.53 60.84 11.69 6.54 4.00 5.55 0.01 7.47 3.90 23 T C C 86.61 5.76 10.88 18.40 115.32 -139.34 -92.32 134.65 82.92 9.45 7.62 62.45 12.69 7.61 2.82 4.76 0.01 6.37 3.29 24 A C C 63.90 6.19 12.48 20.12 110.99 -143.45 -85.40 143.61 86.02 9.98 4.00 60.75 18.72 6.90 1.10 2.88 0.00 7.48 2.17 25 T C C 85.98 5.63 14.30 21.38 116.83 -108.81 -91.45 135.70 79.23 19.22 1.55 58.93 15.30 4.33 0.29 1.31 0.00 18.44 1.41 26 L E E 46.14 13.33 12.82 27.06 125.24 -168.92 -119.05 142.23 43.62 56.17 0.21 38.51 3.79 0.52 0.04 0.18 0.00 56.14 0.82 27 K E E 107.78 6.98 19.75 27.63 118.98 -141.23 -104.89 132.07 7.96 92.02 0.01 7.47 0.41 0.02 0.00 0.01 0.00 91.91 0.18 28 Y E E 26.53 18.88 14.91 33.92 128.09 -173.50 -124.47 145.20 0.74 99.26 0.00 0.65 0.04 0.00 0.00 0.00 0.00 99.27 0.03 29 I E E 61.82 7.61 22.52 31.10 116.57 -135.62 -103.07 127.84 1.13 98.87 0.00 1.07 0.04 0.00 0.00 0.00 0.00 98.65 0.23 30 C C C 8.99 18.97 12.55 32.85 109.40 -123.09 -73.89 125.08 58.85 41.12 0.02 58.93 0.45 0.03 0.00 0.01 0.00 39.88 0.69 31 A C T 50.65 7.58 18.09 27.24 93.78 -153.87 -69.40 -27.05 99.37 0.29 0.34 0.77 8.54 89.98 0.01 0.41 0.00 0.25 0.04 32 E C T 111.71 4.83 17.11 22.82 99.25 45.60 -83.31 -39.43 99.41 0.18 0.42 0.16 4.85 94.45 0.00 0.39 0.00 0.10 0.04 33 C C T 62.50 5.71 14.30 21.48 102.70 18.58 -107.43 -8.82 99.30 0.25 0.45 0.65 7.32 91.36 0.01 0.46 0.00 0.14 0.05 34 S C C 82.43 3.67 14.61 19.92 94.28 -124.33 68.17 19.64 99.32 0.56 0.12 83.00 9.00 7.29 0.03 0.10 0.00 0.34 0.25 35 S C C 46.77 6.32 13.81 22.13 119.13 149.19 -77.42 148.39 95.68 4.30 0.02 92.98 2.85 0.11 0.00 0.01 0.00 3.73 0.32 36 K E E 137.85 4.61 16.18 22.83 118.45 -127.36 -98.67 133.95 3.58 96.41 0.01 3.55 0.18 0.01 0.00 0.00 0.00 94.15 2.11 37 L E E 40.40 15.19 12.20 27.79 130.68 -176.19 -133.31 147.72 2.96 97.04 0.00 2.83 0.09 0.00 0.00 0.00 0.00 96.96 0.11 38 S E E 77.06 3.21 20.75 24.39 116.16 -132.79 -96.70 131.55 11.40 88.58 0.01 10.46 0.67 0.04 0.00 0.01 0.00 88.41 0.41 39 L C C 29.04 19.38 10.26 28.76 127.97 -176.43 -124.78 145.01 60.24 39.64 0.12 57.37 2.16 0.18 0.04 0.08 0.00 37.86 2.30 40 S C C 56.58 3.27 19.98 22.82 124.86 -142.85 -98.90 162.66 87.91 11.91 0.18 85.06 3.04 0.37 0.06 0.11 0.00 7.40 3.96 41 R C T 139.57 8.61 12.07 21.72 93.91 -98.58 -62.25 -26.11 97.60 1.66 0.74 3.40 15.88 78.35 0.06 0.67 0.00 1.35 0.28 42 T C T 111.97 1.44 15.65 16.67 95.89 46.29 -89.56 -0.92 98.26 1.24 0.50 3.65 15.26 79.23 0.03 0.56 0.00 1.13 0.14 43 D C S 69.13 7.08 13.67 22.44 117.43 99.80 -88.72 136.37 94.12 5.51 0.37 44.33 48.95 1.32 0.06 0.32 0.00 3.00 2.01 44 A C C 54.04 8.26 16.72 26.00 115.18 -116.78 -72.20 142.63 91.37 8.50 0.13 87.42 3.45 0.60 0.02 0.12 0.00 7.13 1.26 45 V C C 24.52 18.34 14.50 32.93 120.35 -144.34 -108.91 134.11 76.40 23.54 0.06 68.35 7.02 0.37 0.01 0.06 0.00 22.97 1.23 46 R E B 110.76 7.21 22.19 30.03 125.12 -156.48 -117.26 140.68 7.91 92.04 0.05 8.30 0.26 0.02 0.06 0.01 0.00 32.31 59.06 47 C C C 10.90 20.10 10.98 31.51 109.20 -116.14 -73.36 125.92 85.64 14.33 0.03 87.95 0.32 0.03 0.01 0.01 0.00 9.45 2.23 48 K C T 137.09 3.48 17.28 21.89 93.11 -151.29 -68.66 -28.64 99.75 0.11 0.15 0.88 4.33 94.55 0.01 0.13 0.00 0.07 0.03 49 D C T 102.76 2.70 16.19 19.55 97.76 46.56 -79.73 -36.66 99.80 0.06 0.14 0.06 1.93 97.89 0.00 0.07 0.00 0.03 0.01 50 C C T 54.90 7.54 13.68 22.81 102.72 20.52 -108.59 -11.79 99.79 0.08 0.13 0.27 2.65 96.95 0.01 0.08 0.00 0.04 0.01 51 G C C 40.47 5.00 16.85 23.26 94.82 -119.19 81.06 7.94 98.48 1.45 0.07 89.15 6.73 2.62 0.02 0.06 0.00 0.85 0.57 52 H C C 56.79 11.29 14.75 27.44 119.18 142.03 -76.66 151.08 92.91 7.08 0.01 90.83 2.52 0.06 0.00 0.01 0.00 5.80 0.78 53 R E E 90.47 10.26 20.73 31.50 116.09 -116.09 -86.02 135.47 3.01 96.98 0.01 3.23 0.12 0.01 0.01 0.00 0.00 82.49 14.13 54 I E E 20.98 19.42 17.09 36.65 125.42 -162.41 -118.19 139.72 17.58 82.40 0.01 17.09 0.37 0.03 0.00 0.01 0.00 82.27 0.22 55 L E E 38.80 12.93 20.12 34.07 119.33 -153.94 -103.61 133.95 13.13 86.84 0.04 12.45 0.74 0.08 0.01 0.02 0.00 86.21 0.49 56 L E E 55.16 13.14 16.96 30.71 124.76 -163.72 -115.80 140.83 11.20 88.75 0.05 10.45 0.67 0.09 0.02 0.03 0.00 85.39 3.34 57 K E E 93.07 9.05 14.80 25.08 119.67 -144.98 -107.10 135.27 41.05 58.78 0.17 38.38 1.73 0.22 0.05 0.11 0.00 57.70 1.81 58 A C C 67.86 4.77 13.79 19.96 114.18 -113.87 -73.61 144.66 76.55 22.62 0.83 64.37 9.50 1.72 0.17 0.70 0.00 22.23 1.31 59 R C C 155.54 4.43 9.27 15.83 114.28 -111.81 -79.05 135.65 89.39 9.73 0.88 75.56 11.17 2.54 0.22 0.74 0.00 7.96 1.81 60 T C C 83.36 3.95 7.85 13.84 120.53 -152.07 -103.92 148.78 91.82 7.38 0.80 82.67 7.29 1.78 0.27 0.54 0.00 5.37 2.07 61 K C C 180.50 0.54 9.09 9.34 99.51 -135.62 -83.52 -2.04 93.72 5.52 0.76 57.08 33.99 3.01 0.29 0.51 0.00 3.87 1.24 62 R C C 176.01 1.08 7.70 9.98 118.95 90.94 -98.21 138.57 91.13 8.10 0.77 65.31 23.56 2.50 0.36 0.48 0.00 6.48 1.32 63 L C C 134.55 1.76 6.72 10.43 116.16 -128.71 -90.70 134.31 86.15 13.03 0.83 79.90 4.86 1.22 0.41 0.43 0.00 11.56 1.62 64 V C C 111.97 2.20 7.08 11.22 119.35 -155.31 -108.18 134.27 78.68 20.29 1.03 73.63 3.90 1.00 0.60 0.46 0.00 17.99 2.42 65 Q C C 145.04 1.41 7.53 10.68 119.13 -154.28 -108.86 132.43 75.30 23.39 1.30 70.20 3.89 1.18 0.75 0.57 0.00 21.62 1.79 66 F C C 152.23 2.39 6.51 11.01 119.64 -160.21 -111.56 138.16 74.52 22.71 2.77 65.87 5.80 2.44 1.48 1.29 0.00 21.29 1.83 67 E C C 155.65 1.03 7.93 10.10 116.33 -144.50 -97.83 132.27 76.44 19.19 4.37 62.68 7.47 5.74 2.19 2.14 0.00 17.66 2.10 68 A C C 84.60 2.79 5.90 10.74 115.18 -140.98 -92.94 135.12 84.58 12.02 3.40 79.49 1.65 3.94 1.69 1.17 0.00 10.19 1.86 69 R C C 175.13 1.82 10.03 13.33 114.14 -155.47 -100.27 129.16 99.42 0.52 0.06 99.32 0.14 0.09 0.02 0.01 0.00 0.39 0.03