# 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 136.98 2.66 8.73 13.27 115.09 -150.50 -92.96 135.01 99.89 0.09 0.02 99.80 0.10 0.03 0.01 0.00 0.00 0.04 0.01 1 K C C 161.00 1.28 7.66 10.40 116.55 -148.74 -97.42 134.08 94.68 4.05 1.28 93.30 0.82 1.06 0.52 0.39 0.00 1.84 2.06 2 R C C 176.56 1.86 6.62 10.36 114.56 -136.97 -93.02 130.02 92.56 4.61 2.82 79.51 8.27 4.51 0.77 2.10 0.00 2.93 1.92 3 T C C 105.88 1.83 7.76 11.12 112.36 -164.90 -99.40 117.37 93.25 4.00 2.75 66.18 20.38 6.51 0.62 2.36 0.00 2.47 1.47 4 W C C 180.20 2.86 7.53 12.35 115.94 -150.93 -100.29 129.49 92.21 5.45 2.34 68.67 19.23 3.91 0.76 1.69 0.00 2.40 3.33 5 Q C C 126.99 2.38 9.48 13.70 117.15 -168.68 -112.70 125.16 97.67 1.66 0.67 88.18 9.07 0.55 0.46 0.19 0.00 0.82 0.74 6 P C C 83.37 5.21 8.59 15.72 113.80 -115.33 -66.75 148.21 90.92 1.43 7.65 75.23 7.41 8.27 5.47 2.12 0.00 0.76 0.75 7 N C C 94.90 3.51 10.20 15.33 111.95 -125.26 -86.81 133.72 87.91 1.47 10.62 71.72 7.88 7.86 8.68 2.27 0.00 0.60 0.99 8 R C H 162.44 2.92 10.04 14.63 96.21 -150.73 -73.87 -20.09 51.03 1.48 47.49 31.43 14.29 6.38 44.05 2.56 0.02 0.55 0.72 9 R H H 155.28 1.98 11.65 14.43 93.62 65.45 -66.02 -38.90 22.60 0.54 76.86 13.35 4.87 5.26 73.76 2.32 0.01 0.26 0.17 10 K H H 118.02 2.20 13.18 15.93 93.31 52.47 -67.78 -39.03 12.06 0.44 87.50 7.21 2.07 3.66 84.04 2.63 0.01 0.26 0.11 11 R H H 94.48 6.49 11.83 20.04 93.01 52.02 -65.74 -39.98 7.08 0.31 92.61 3.75 1.24 2.72 89.30 2.72 0.01 0.19 0.07 12 A H H 46.93 7.50 12.12 21.16 92.64 51.46 -65.15 -38.75 6.11 0.22 93.67 2.53 1.01 2.93 90.65 2.66 0.03 0.13 0.06 13 K H H 134.45 2.26 15.21 17.79 94.98 46.31 -73.18 -34.70 9.26 0.22 90.52 2.37 1.42 5.73 87.48 2.73 0.08 0.12 0.08 14 T H H 79.30 3.40 15.55 19.49 100.80 39.40 -89.24 -35.79 18.56 0.24 81.21 2.68 2.87 13.37 78.48 2.23 0.13 0.10 0.14 15 H H H 92.27 6.51 14.05 21.77 103.92 26.56 -103.58 -8.96 41.49 0.55 57.96 7.24 10.29 24.44 55.52 1.82 0.13 0.18 0.37 16 G C H 22.89 7.11 15.33 23.89 119.66 82.83 57.41 -170.87 57.54 0.79 41.67 32.64 16.53 9.19 37.61 3.28 0.02 0.27 0.47 17 F H H 95.93 9.40 13.68 23.85 93.58 -56.54 -64.88 -36.27 14.25 0.16 85.59 2.99 2.75 8.91 77.13 7.93 0.12 0.08 0.09 18 R H H 142.93 2.69 16.12 19.49 92.18 53.73 -64.38 -39.86 6.67 0.06 93.27 1.12 0.87 4.38 83.40 10.13 0.03 0.04 0.02 19 A H H 49.85 3.96 15.75 20.85 92.28 51.28 -65.41 -38.87 5.30 0.05 94.65 0.82 0.61 3.38 81.13 14.00 0.02 0.03 0.01 20 R H H 81.46 9.12 12.76 23.25 93.73 51.58 -73.97 -27.23 12.05 0.09 87.86 1.43 1.21 8.54 73.18 15.48 0.06 0.05 0.05 21 M C T 84.53 8.25 11.60 21.26 94.08 65.90 -76.64 -10.07 50.34 0.28 49.37 6.63 3.68 38.98 38.86 11.43 0.06 0.13 0.23 22 R C T 180.06 1.04 15.50 15.63 93.38 71.54 -80.12 -14.96 80.15 0.45 19.39 10.48 13.98 56.09 12.71 6.12 0.02 0.16 0.44 23 T C S 57.82 5.03 10.05 17.30 122.29 80.80 -97.20 152.61 98.80 0.49 0.71 7.24 91.20 0.35 0.59 0.04 0.00 0.06 0.52 24 P H H 110.40 1.18 14.03 14.87 92.58 -114.52 -59.02 -37.74 7.64 0.00 92.35 0.28 0.77 6.58 91.37 0.99 0.01 0.00 0.01 25 G H H 40.32 2.55 14.12 17.39 91.88 50.72 -63.97 -37.50 7.05 0.00 92.94 0.25 0.37 6.26 91.92 1.20 0.00 0.00 0.00 26 G H H 15.31 9.62 11.27 22.95 91.85 53.09 -63.96 -40.38 1.94 0.00 98.06 0.32 0.17 1.21 97.32 0.97 0.00 0.00 0.00 27 R H H 122.75 3.91 15.55 20.60 91.46 51.86 -64.14 -40.69 0.55 0.00 99.45 0.14 0.04 0.29 99.31 0.22 0.00 0.00 0.00 28 K H H 122.58 1.41 18.76 18.39 91.94 49.81 -64.62 -41.42 0.47 0.00 99.53 0.10 0.04 0.28 99.50 0.09 0.00 0.00 0.00 29 V H H 59.02 4.78 16.47 22.47 91.63 49.31 -64.06 -43.06 0.25 0.00 99.74 0.06 0.02 0.13 99.75 0.04 0.00 0.00 0.00 30 L H H 48.86 9.02 13.85 24.55 91.69 50.14 -63.38 -42.06 0.13 0.00 99.87 0.01 0.01 0.07 99.88 0.03 0.00 0.00 0.00 31 K H H 112.46 2.13 17.39 19.12 91.56 50.71 -63.69 -41.19 0.21 0.00 99.79 0.02 0.01 0.13 99.81 0.04 0.00 0.00 0.00 32 R H H 127.93 1.62 16.41 17.15 91.83 49.85 -64.56 -40.81 0.38 0.00 99.62 0.03 0.02 0.25 99.61 0.09 0.00 0.00 0.00 33 R H H 90.17 6.39 12.34 20.29 92.20 50.33 -65.12 -40.71 0.96 0.00 99.03 0.14 0.06 0.62 98.90 0.28 0.00 0.00 0.00 34 R H H 130.90 4.17 12.20 17.85 91.87 51.17 -64.47 -39.47 2.85 0.01 97.14 0.34 0.17 2.05 96.43 0.99 0.00 0.00 0.00 35 Q H H 142.06 0.76 13.26 12.87 91.75 52.01 -66.96 -31.31 11.33 0.04 88.63 0.53 0.54 10.22 87.62 1.04 0.02 0.01 0.02 36 K C T 139.29 1.58 11.67 13.53 94.90 49.73 -86.71 -6.26 68.32 0.09 31.59 0.98 2.35 63.20 32.16 1.20 0.01 0.03 0.07 37 G C T 50.20 2.87 10.84 14.93 99.04 -109.39 78.55 11.71 96.17 0.15 3.68 7.77 6.38 82.13 2.84 0.73 0.00 0.07 0.07 38 R C C 140.41 4.01 10.11 15.66 104.84 124.86 -89.00 30.34 91.83 1.72 6.45 74.68 9.35 7.64 2.36 4.19 0.00 0.93 0.85 39 W C C 161.98 5.06 10.12 16.68 113.62 97.85 -102.40 126.89 87.80 4.49 7.71 61.52 15.68 10.24 2.35 5.78 0.00 3.06 1.36 40 R C C 170.52 1.85 12.28 15.10 111.94 -163.23 -97.16 126.62 84.75 8.65 6.61 63.60 12.55 8.35 2.07 4.79 0.01 6.41 2.24 41 L C C 110.63 5.38 8.84 15.65 111.71 -131.71 -89.63 124.61 84.75 11.29 3.96 66.25 13.13 4.63 1.73 2.52 0.00 7.85 3.88 42 T C C 84.95 3.70 9.55 14.99 122.54 113.13 -114.63 143.97 91.36 7.25 1.39 75.60 14.13 1.56 0.81 0.64 0.00 5.48 1.78 43 P C C 102.15 2.93 9.09 13.71 109.54 -113.86 -72.96 138.83 84.20 5.01 10.79 55.40 15.08 13.66 3.27 7.71 0.00 3.67 1.21 44 A C C 83.52 2.73 7.84 12.37 113.89 -140.65 -90.23 133.77 82.71 4.88 12.41 45.19 21.98 16.09 3.34 8.88 0.00 3.09 1.43 45 V C C 114.22 2.33 7.14 11.27 114.43 -153.67 -99.66 127.19 82.50 5.43 12.07 52.30 20.39 10.11 3.49 8.47 0.00 3.40 1.83 46 R C C 178.62 1.60 7.49 10.82 114.23 -137.69 -91.87 131.08 92.06 2.96 4.98 86.89 1.77 4.50 1.97 1.93 0.00 2.01 0.92 47 K C C 158.28 1.96 8.99 12.71 111.41 -135.04 -90.35 125.62 99.87 0.09 0.04 99.66 0.14 0.11 0.02 0.01 0.00 0.05 0.01