# 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 125.95 4.03 10.89 16.56 115.10 -160.29 -97.21 133.25 99.72 0.25 0.03 99.67 0.10 0.05 0.02 0.00 0.00 0.12 0.04 1 A C C 76.33 3.83 8.16 13.90 114.59 -136.90 -86.55 140.91 90.38 5.15 4.47 85.57 1.37 4.18 2.07 1.50 0.00 3.66 1.66 2 K C C 151.65 1.98 9.20 12.83 113.98 -124.86 -85.56 138.07 85.42 7.00 7.59 58.27 16.77 10.45 2.66 4.85 0.00 4.72 2.27 3 K C C 148.82 2.69 9.38 13.99 113.46 -114.20 -83.30 136.52 82.56 7.14 10.30 54.99 17.74 9.94 3.23 7.05 0.01 4.54 2.50 4 A C C 67.79 6.03 9.11 16.81 114.60 -121.80 -83.18 141.63 83.24 7.01 9.75 61.99 12.23 8.89 2.78 7.12 0.00 4.63 2.36 5 K C C 147.86 2.79 12.41 16.70 108.77 -143.82 -88.83 108.98 83.45 7.58 8.97 49.21 19.88 14.67 2.15 6.86 0.01 5.03 2.19 6 S C C 57.74 7.95 11.65 20.81 118.00 -106.56 -97.66 141.80 84.62 10.20 5.18 52.63 19.50 12.48 0.86 4.56 0.00 8.72 1.24 7 R C C 127.79 7.61 14.76 23.39 102.08 -158.07 -96.23 8.11 74.27 23.66 2.08 43.73 24.87 5.36 0.33 1.73 0.00 23.06 0.92 8 I E E 73.49 9.71 15.98 26.76 122.97 71.53 -112.76 136.55 17.69 82.18 0.12 15.21 1.97 0.21 0.03 0.08 0.00 81.96 0.53 9 I E E 36.17 14.84 15.94 31.77 120.17 -161.20 -113.41 129.09 3.11 96.88 0.01 2.90 0.11 0.01 0.00 0.00 0.00 96.93 0.04 10 N E E 63.02 8.69 21.15 30.73 115.96 -146.12 -97.15 129.73 1.03 98.97 0.00 0.92 0.03 0.00 0.00 0.00 0.00 99.04 0.01 11 V E E 12.93 20.76 15.67 36.79 125.50 -171.48 -121.52 138.18 0.64 99.36 0.00 0.55 0.02 0.00 0.00 0.00 0.00 99.42 0.01 12 R E E 90.83 8.57 24.15 33.27 117.71 -144.97 -103.95 127.65 0.59 99.41 0.00 0.50 0.02 0.00 0.00 0.00 0.00 99.48 0.01 13 L E E 9.05 23.22 16.73 40.19 121.76 -166.20 -112.07 134.64 0.73 99.27 0.00 0.64 0.02 0.00 0.00 0.00 0.00 99.32 0.01 14 I E E 52.14 8.31 23.35 32.67 120.47 -158.33 -113.01 130.27 0.93 99.07 0.01 0.84 0.03 0.00 0.00 0.00 0.00 99.03 0.08 15 S E E 11.77 18.27 12.41 31.31 112.75 -126.75 -79.19 132.76 11.78 88.18 0.03 11.09 0.41 0.04 0.01 0.02 0.00 88.10 0.34 16 M C S 107.96 5.36 17.90 24.47 94.49 -154.26 -75.06 -21.19 92.61 5.89 1.50 8.07 46.04 38.67 0.11 1.26 0.00 5.37 0.48 17 A C S 57.57 6.20 14.32 21.74 99.25 61.35 -84.28 -0.14 95.17 2.57 2.26 5.33 47.51 42.76 0.18 1.90 0.00 1.72 0.60 18 M C S 120.97 4.95 13.31 19.61 100.79 -86.52 61.20 56.57 95.89 1.97 2.13 18.03 39.57 38.39 0.18 2.10 0.00 1.23 0.50 19 T C T 89.12 3.48 13.51 18.08 103.45 126.75 -92.15 3.50 94.95 4.18 0.88 23.28 29.98 41.95 0.10 0.89 0.00 3.27 0.53 20 G C S 47.59 4.74 14.25 20.13 98.24 -85.29 84.06 5.11 73.74 25.84 0.43 29.79 30.91 12.98 0.04 0.50 0.00 24.84 0.94 21 Y E E 104.88 6.93 13.96 22.65 119.30 128.53 -93.21 139.02 36.31 63.66 0.03 32.62 1.99 0.13 0.00 0.02 0.00 64.72 0.51 22 F E E 104.43 11.11 13.48 25.57 129.30 -170.94 -129.57 145.35 2.87 97.12 0.00 2.57 0.15 0.01 0.00 0.00 0.00 97.17 0.09 23 Y E E 80.52 10.42 16.25 28.09 128.39 -170.55 -130.13 142.55 0.56 99.44 0.00 0.48 0.03 0.00 0.00 0.00 0.00 99.48 0.01 24 T E E 72.87 9.69 15.35 26.44 123.93 -161.41 -121.36 136.75 0.59 99.41 0.00 0.51 0.01 0.00 0.00 0.00 0.00 99.47 0.00 25 F E E 66.47 11.14 15.74 28.31 128.55 -175.63 -129.90 144.32 1.32 98.68 0.00 1.19 0.03 0.00 0.00 0.00 0.00 98.75 0.02 26 T E E 78.13 7.46 17.23 26.19 120.61 -151.90 -111.30 133.06 3.72 96.28 0.00 3.50 0.12 0.00 0.00 0.00 0.00 96.23 0.15 27 R E E 61.79 12.80 13.17 27.14 124.09 -173.22 -124.35 137.15 27.06 72.92 0.02 25.54 0.87 0.04 0.00 0.01 0.00 73.05 0.47 28 P C E 63.92 4.98 16.97 23.10 113.94 -109.93 -67.30 147.91 50.00 49.43 0.57 41.96 5.38 2.06 0.11 0.51 0.00 48.81 1.17 29 R C T 121.58 10.36 10.72 21.70 96.69 -113.17 -65.97 -21.43 93.89 3.15 2.96 24.89 31.15 37.93 0.30 2.91 0.00 2.11 0.70 30 T C T 105.26 1.89 14.17 16.41 98.29 60.23 -88.23 -1.98 95.82 1.94 2.24 27.75 29.32 38.63 0.24 2.33 0.00 1.16 0.58 31 S C C 63.37 5.89 11.54 18.92 118.00 87.97 -95.39 143.91 97.06 1.83 1.12 52.13 36.63 8.11 0.14 1.27 0.00 0.94 0.79 32 L C C 104.27 4.50 15.20 20.84 116.63 -103.07 -83.59 140.55 98.32 1.62 0.07 67.23 30.56 0.76 0.01 0.06 0.00 1.06 0.32 33 P C C 71.31 8.61 15.10 24.68 114.25 -92.69 -68.78 145.42 94.84 5.01 0.14 84.30 8.50 1.91 0.02 0.16 0.00 4.71 0.39 34 M E E 50.23 14.96 13.06 28.39 116.66 -141.32 -95.14 133.94 36.29 63.57 0.15 32.86 2.42 0.54 0.03 0.14 0.00 62.75 1.26 35 S E E 52.27 9.36 18.74 28.83 128.64 -160.19 -125.82 144.65 11.01 88.93 0.07 9.59 1.19 0.22 0.01 0.06 0.00 88.69 0.23 36 M E E 45.03 14.75 15.33 30.72 131.76 -172.77 -135.92 148.23 5.58 94.40 0.02 4.96 0.40 0.04 0.00 0.02 0.00 94.49 0.09 37 L E E 74.25 9.45 18.56 28.93 118.45 -139.46 -104.91 130.64 2.45 97.54 0.00 2.12 0.26 0.01 0.00 0.00 0.00 97.58 0.02 38 K E E 62.55 12.35 16.43 29.66 130.17 -174.23 -129.40 148.94 0.79 99.21 0.00 0.65 0.09 0.01 0.00 0.00 0.00 99.25 0.01 39 Y E E 101.57 7.81 16.75 26.09 118.60 -136.22 -105.25 133.86 0.96 99.04 0.00 0.91 0.04 0.00 0.00 0.00 0.00 98.87 0.17 40 D C C 22.75 12.68 10.64 25.34 108.95 -140.53 -94.49 114.33 52.70 47.28 0.02 51.55 0.54 0.05 0.00 0.01 0.00 47.46 0.38 41 P C T 88.68 3.53 14.18 19.35 92.99 -158.86 -66.87 -24.47 98.97 0.14 0.90 0.37 4.29 94.25 0.02 0.94 0.00 0.09 0.03 42 I C T 122.67 1.85 13.25 15.64 97.41 48.20 -76.72 -40.55 98.96 0.16 0.89 0.37 4.49 94.10 0.03 0.87 0.00 0.09 0.05 43 V C T 76.77 4.13 11.36 17.18 99.53 28.00 -98.86 -11.99 99.17 0.23 0.60 1.94 4.65 92.62 0.04 0.56 0.00 0.15 0.05 44 R C T 177.45 2.09 12.47 16.19 94.05 -129.50 58.13 34.42 98.83 0.83 0.34 28.33 5.06 65.44 0.08 0.20 0.00 0.80 0.09 45 R E E 116.91 3.75 14.55 20.07 130.27 119.55 -123.12 153.98 35.74 64.21 0.04 29.51 4.04 0.40 0.01 0.04 0.00 65.58 0.43 46 K E E 113.60 7.33 14.84 23.64 114.50 -110.34 -79.27 134.35 0.79 99.21 0.00 0.75 0.02 0.00 0.00 0.00 0.00 99.19 0.04 47 V E E 25.31 15.07 14.08 30.39 127.78 -173.22 -126.67 143.94 0.15 99.85 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 48 L E E 69.60 8.21 20.35 29.56 116.21 -131.89 -94.68 130.52 0.27 99.73 0.00 0.25 0.00 0.00 0.00 0.00 0.00 99.74 0.00 49 F E E 26.53 18.76 15.10 34.11 125.33 -170.59 -117.29 142.44 0.83 99.17 0.00 0.76 0.02 0.00 0.00 0.00 0.00 99.21 0.01 50 L E E 59.99 8.54 21.70 31.23 120.05 -148.07 -107.53 133.97 1.72 98.27 0.01 1.57 0.05 0.01 0.00 0.00 0.00 98.34 0.02 51 E E E 38.23 17.85 14.56 32.47 122.54 -161.58 -107.78 138.05 3.94 96.03 0.02 3.61 0.18 0.02 0.00 0.01 0.00 96.09 0.08 52 Q E E 83.34 7.07 19.06 27.20 127.65 -170.64 -126.79 146.34 9.52 90.38 0.10 8.35 0.84 0.16 0.02 0.06 0.00 90.26 0.31 53 K E E 106.25 9.43 13.32 23.71 117.98 -131.76 -95.96 136.97 24.13 75.46 0.41 20.96 2.61 0.63 0.12 0.28 0.00 74.31 1.09 54 R C C 126.04 6.96 11.34 19.84 114.39 -131.93 -90.75 135.02 61.24 37.38 1.38 47.79 9.52 3.59 0.32 1.13 0.00 35.76 1.88 55 K C C 151.46 2.45 10.58 14.77 111.88 -139.56 -88.40 128.31 85.38 12.63 1.99 52.00 21.96 11.48 0.29 1.93 0.00 11.05 1.28 56 G C C 52.01 3.25 9.17 14.22 115.20 -110.14 -105.53 153.99 92.01 6.38 1.61 51.95 27.00 13.14 0.20 1.74 0.00 4.89 1.08 57 R C C 179.40 1.77 8.64 11.92 109.82 -119.74 -91.20 115.98 94.21 4.75 1.05 87.47 2.60 4.35 0.21 0.70 0.00 3.53 1.13 58 S C C 84.91 2.57 9.88 14.09 112.39 -126.19 -87.30 129.68 99.93 0.06 0.01 99.83 0.09 0.04 0.00 0.00 0.00 0.03 0.01