# 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 133.11 3.19 10.28 15.13 115.48 -158.30 -92.12 136.12 99.89 0.10 0.01 99.86 0.06 0.02 0.00 0.00 0.00 0.04 0.01 1 A C C 78.73 3.20 8.23 13.42 115.73 -138.04 -88.74 143.16 91.90 3.98 4.12 87.91 1.13 3.77 1.58 1.59 0.00 2.40 1.61 2 S C C 83.97 2.40 8.45 12.67 114.92 -125.75 -85.34 143.74 85.93 5.39 8.69 60.60 13.74 11.40 2.24 6.66 0.00 3.34 2.02 3 S C C 81.38 3.29 8.24 13.33 110.54 -126.13 -90.09 126.46 81.20 4.65 14.14 56.49 12.35 11.40 2.56 12.74 0.00 2.84 1.61 4 T C C 103.87 2.55 9.83 13.84 108.12 -161.66 -93.59 80.12 80.80 3.68 15.52 35.66 23.16 22.28 2.31 13.20 0.01 2.03 1.35 5 D C C 106.19 3.03 10.97 15.48 105.38 82.24 -89.76 67.43 83.89 5.08 11.03 38.39 24.19 21.48 1.54 9.86 0.01 3.15 1.39 6 V C C 82.92 6.92 10.32 18.87 115.93 153.32 -95.82 131.11 83.26 13.59 3.15 59.54 18.62 4.61 0.99 2.36 0.00 8.02 5.85 7 R C C 121.25 7.35 14.27 22.98 118.94 -159.40 -106.53 127.97 83.75 16.06 0.20 66.36 17.29 0.57 0.05 0.16 0.00 13.28 2.28 8 P C C 54.16 10.92 14.72 26.63 113.98 -115.73 -69.75 147.22 81.79 18.10 0.11 67.52 11.76 0.75 0.02 0.11 0.00 19.32 0.53 9 K E E 103.53 8.07 18.39 27.32 118.63 -134.88 -102.57 133.27 21.73 78.21 0.06 18.44 2.70 0.21 0.01 0.06 0.00 78.14 0.45 10 I E E 20.85 19.18 14.65 34.05 125.47 -167.73 -121.59 137.26 2.05 97.95 0.00 2.00 0.05 0.00 0.00 0.00 0.00 97.91 0.04 11 T E E 43.91 9.30 23.64 33.69 120.32 -152.87 -109.93 132.10 0.37 99.63 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.65 0.00 12 L E E 9.78 22.39 17.28 39.91 123.52 -163.87 -115.00 136.72 0.23 99.77 0.00 0.20 0.01 0.00 0.00 0.00 0.00 99.79 0.00 13 A E E 29.89 8.93 22.93 32.97 124.29 -161.68 -116.39 138.84 1.27 98.72 0.00 1.18 0.05 0.00 0.00 0.00 0.00 98.70 0.07 14 C E E 10.27 18.44 12.15 31.62 110.51 -120.31 -76.01 127.96 29.20 70.75 0.04 28.26 0.82 0.07 0.01 0.02 0.00 70.13 0.68 15 E C T 114.14 4.44 18.38 23.82 93.68 -145.66 -70.86 -27.33 98.66 0.83 0.51 0.88 27.78 70.10 0.02 0.48 0.00 0.63 0.11 16 V C T 89.84 4.22 15.88 21.09 98.83 46.47 -83.25 -38.23 99.10 0.38 0.51 0.58 21.43 77.18 0.01 0.48 0.00 0.23 0.08 17 C C T 55.37 7.54 12.12 21.20 104.36 22.94 -110.33 -1.97 94.51 4.72 0.77 12.62 22.41 59.52 0.06 0.88 0.00 4.00 0.53 18 K C C 151.75 3.02 13.90 18.53 95.60 -136.45 59.36 8.81 84.10 14.97 0.94 33.71 24.89 26.47 0.16 0.86 0.00 12.33 1.58 19 H C S 124.82 3.48 15.21 19.82 101.39 94.94 -91.18 1.55 77.31 22.26 0.42 31.77 32.49 12.56 0.04 0.49 0.00 21.91 0.74 20 R E E 107.32 9.38 13.58 24.13 122.37 62.59 -113.69 138.42 39.61 60.30 0.09 34.38 3.94 0.34 0.01 0.08 0.00 60.46 0.79 21 N E E 72.34 10.86 15.49 27.04 129.22 -175.19 -130.89 145.82 8.73 91.24 0.03 7.24 0.98 0.11 0.00 0.02 0.00 91.47 0.18 22 Y E E 66.97 12.83 16.46 30.32 129.26 -165.80 -130.77 143.39 1.08 98.92 0.00 0.91 0.08 0.00 0.00 0.00 0.00 98.98 0.03 23 I E E 78.76 9.82 17.58 28.44 122.15 -156.27 -115.91 133.28 0.71 99.29 0.00 0.66 0.01 0.00 0.00 0.00 0.00 99.25 0.07 24 T E E 33.67 13.45 14.49 29.03 128.75 -172.74 -125.59 149.87 9.09 90.89 0.02 8.58 0.32 0.02 0.01 0.01 0.00 90.79 0.28 25 K E E 128.20 5.25 17.65 24.26 115.32 -142.84 -102.34 129.90 40.64 59.09 0.27 32.27 7.99 0.46 0.08 0.17 0.00 58.09 0.94 26 K C C 84.30 9.94 12.62 23.72 122.26 -141.92 -103.59 140.94 74.19 25.33 0.49 64.55 8.68 0.68 0.22 0.31 0.00 22.43 3.12 27 N C C 58.95 6.30 13.57 21.81 115.80 -127.10 -88.50 143.01 86.09 13.47 0.44 83.09 2.44 0.64 0.18 0.21 0.00 8.48 4.96 28 R C T 143.76 6.26 10.83 18.70 93.34 -120.78 -65.44 -25.67 94.96 1.45 3.59 6.31 21.24 67.37 0.49 3.06 0.00 0.83 0.70 29 R C T 177.70 1.23 12.63 13.88 95.35 59.89 -75.69 -23.77 96.63 0.52 2.85 2.71 18.46 75.42 0.27 2.55 0.00 0.30 0.28 30 N C T 107.87 3.31 11.39 15.90 101.25 38.38 -94.74 8.73 94.60 2.29 3.11 20.08 31.01 43.34 0.38 2.99 0.00 1.20 1.02 31 D C C 64.19 6.91 9.57 18.32 110.87 70.03 -109.49 100.02 96.87 2.86 0.28 83.09 12.60 1.20 0.08 0.20 0.00 1.44 1.39 32 P C T 88.64 4.73 11.15 17.78 96.33 -167.25 -67.10 -21.18 80.69 2.81 16.50 26.36 11.40 42.08 1.94 15.61 0.00 1.76 0.85 33 D C T 104.49 2.85 13.53 17.46 97.40 63.73 -82.33 0.49 78.18 3.86 17.95 23.35 14.10 40.53 2.57 15.79 0.01 2.61 1.05 34 R C C 105.20 9.61 12.14 22.56 106.75 95.15 -80.72 99.00 69.29 9.23 21.47 42.43 16.96 10.75 4.61 16.62 0.02 6.26 2.35 35 L C C 67.87 11.68 13.16 25.21 109.96 71.17 -91.19 108.97 67.40 21.96 10.64 53.34 8.85 5.11 3.95 6.56 0.01 19.32 2.86 36 E C C 106.13 5.65 17.74 24.38 116.64 45.75 -100.73 132.08 53.69 39.63 6.68 42.76 7.32 3.56 2.61 4.10 0.01 37.60 2.06 37 L E E 58.42 14.12 12.48 26.82 118.89 -153.55 -101.70 134.18 42.05 54.42 3.53 35.37 4.64 1.65 1.65 1.94 0.00 53.58 1.17 38 K E E 109.09 7.39 17.20 25.66 122.57 -165.90 -113.37 136.79 22.64 76.68 0.68 18.36 3.35 0.45 0.33 0.32 0.00 76.79 0.39 39 K E E 87.25 9.93 15.69 26.51 126.18 -162.02 -122.38 143.77 6.30 93.46 0.25 5.05 1.07 0.16 0.10 0.11 0.00 93.33 0.17 40 F E E 89.78 8.02 15.38 24.97 120.10 -140.30 -104.89 138.11 2.10 97.80 0.10 1.93 0.16 0.02 0.09 0.03 0.00 92.80 4.96 41 C C C 21.39 12.36 10.12 24.59 109.32 -127.11 -83.91 118.98 76.85 23.10 0.05 76.19 0.59 0.10 0.01 0.04 0.00 22.38 0.69 42 P C T 93.48 3.45 13.79 18.93 92.55 -153.81 -66.48 -25.29 99.07 0.09 0.84 0.25 2.29 96.57 0.01 0.81 0.00 0.06 0.01 43 N C T 123.10 1.36 13.13 14.55 97.60 47.59 -78.74 -37.86 98.95 0.06 1.00 0.12 1.79 97.12 0.02 0.91 0.00 0.03 0.01 44 C C T 72.76 3.47 11.87 16.60 101.30 22.14 -104.13 -14.80 99.26 0.08 0.66 0.37 2.45 96.40 0.01 0.71 0.00 0.04 0.01 45 G C C 49.31 3.72 11.75 17.41 94.95 -125.43 75.28 9.29 99.28 0.50 0.22 59.55 5.18 34.56 0.05 0.14 0.00 0.42 0.10 46 K C C 113.88 2.88 15.15 19.23 122.47 132.84 -91.23 148.90 72.72 27.26 0.03 67.45 4.10 0.23 0.00 0.02 0.00 27.41 0.77 47 H E E 101.87 10.29 12.27 23.49 117.32 -119.81 -92.74 136.59 1.26 98.73 0.00 1.18 0.05 0.00 0.00 0.00 0.00 98.36 0.41 48 Q E E 68.18 8.80 15.61 26.05 130.05 -175.42 -132.83 147.55 1.46 98.53 0.00 1.41 0.04 0.00 0.00 0.00 0.00 98.52 0.02 49 A E E 59.49 7.39 16.99 25.49 116.36 -118.70 -83.46 135.65 3.85 96.14 0.01 3.65 0.14 0.02 0.00 0.01 0.00 96.13 0.05 50 H E E 45.78 15.11 12.71 28.31 128.32 -172.91 -125.24 145.83 13.23 86.72 0.05 12.03 0.62 0.07 0.01 0.03 0.00 87.05 0.19 51 R E E 139.12 4.61 17.44 23.62 122.12 -148.05 -116.31 137.34 16.61 83.29 0.10 15.21 0.84 0.16 0.02 0.06 0.00 83.26 0.46 52 E E E 75.10 12.66 10.40 23.41 117.72 -141.92 -95.60 136.54 24.50 75.32 0.19 22.66 1.18 0.30 0.06 0.11 0.00 74.09 1.60 53 T C C 83.92 4.35 12.36 18.58 121.52 -166.56 -114.81 144.32 53.93 45.90 0.17 52.57 0.98 0.37 0.06 0.11 0.00 44.45 1.47 54 R C C 167.17 3.16 12.39 17.25 111.67 -115.34 -83.95 127.83 99.27 0.73 0.01 99.16 0.15 0.03 0.00 0.00 0.00 0.64 0.02