# 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 90.51 8.90 15.76 25.44 119.68 -165.89 -107.24 134.84 99.82 0.17 0.00 99.81 0.08 0.01 0.00 0.00 0.00 0.09 0.01 1 I C C 88.02 9.47 14.84 25.15 116.10 -146.17 -97.84 127.31 81.85 18.07 0.08 82.37 1.22 0.18 0.03 0.03 0.00 11.46 4.71 2 V C C 46.04 12.53 15.41 28.95 118.06 -159.54 -109.32 124.68 80.15 19.83 0.02 72.26 8.33 0.08 0.00 0.02 0.00 17.73 1.57 3 P C C 44.67 10.68 19.60 31.30 114.95 -116.35 -68.94 144.67 76.65 23.32 0.03 74.36 1.81 0.07 0.00 0.02 0.00 22.76 0.97 4 V E E 24.14 19.49 16.83 36.04 118.27 -157.27 -112.90 131.20 34.17 65.81 0.02 31.11 2.94 0.08 0.01 0.02 0.00 62.85 3.01 5 R E E 102.18 8.09 22.70 31.17 123.34 -147.18 -113.39 136.33 6.02 93.97 0.02 6.06 0.21 0.00 0.02 0.00 0.00 58.98 34.72 6 C C C 12.88 18.66 13.12 32.67 109.60 -117.20 -73.49 126.60 72.06 27.91 0.02 74.17 0.47 0.03 0.01 0.01 0.00 22.66 2.65 7 F C T 100.51 8.81 16.77 26.87 92.82 -145.38 -67.69 -28.19 99.76 0.07 0.17 0.16 2.10 97.57 0.00 0.12 0.00 0.04 0.01 8 S C T 70.34 5.13 16.58 22.49 99.06 44.41 -82.05 -39.86 99.82 0.03 0.15 0.04 1.17 98.68 0.00 0.09 0.00 0.01 0.01 9 C C T 71.37 4.44 15.28 20.81 101.53 19.08 -108.92 -13.79 99.81 0.03 0.16 0.18 1.94 97.73 0.00 0.12 0.00 0.01 0.01 10 G C C 39.71 7.44 13.59 22.53 95.36 -122.42 79.53 6.32 99.62 0.25 0.13 87.38 6.14 6.10 0.03 0.08 0.00 0.12 0.15 11 K C C 104.80 4.48 18.21 24.06 118.33 140.85 -78.90 143.53 91.81 8.07 0.12 87.25 4.76 0.21 0.06 0.06 0.00 5.53 2.13 12 V E B 66.40 12.39 16.51 29.24 111.35 -112.99 -75.98 129.12 2.77 97.19 0.05 2.66 0.13 0.01 0.07 0.01 0.00 42.44 54.68 13 V C E 32.65 15.95 16.38 32.46 107.19 174.06 -103.93 -18.37 50.11 45.90 3.99 41.57 5.85 2.65 1.83 1.94 0.00 44.20 1.96 14 G C C 20.83 13.49 17.82 30.96 118.71 18.27 92.93 -148.27 59.00 11.02 29.98 23.87 20.81 15.80 16.29 12.35 0.19 8.92 1.76 15 D C T 106.72 3.34 21.19 24.58 96.55 -21.65 -79.04 0.57 54.65 3.05 42.29 12.96 11.73 30.56 25.71 15.86 0.24 1.87 1.08 16 K H H 66.36 13.43 17.05 30.52 96.04 64.17 -89.57 2.12 43.23 1.03 55.74 11.41 5.06 26.41 42.70 13.28 0.08 0.58 0.46 17 W H H 39.56 20.52 14.59 34.62 92.87 107.07 -60.42 -42.09 3.02 0.02 96.96 1.23 0.39 1.39 95.13 1.83 0.00 0.01 0.01 18 E H H 116.65 3.50 21.81 25.54 91.57 52.55 -63.65 -40.53 0.47 0.00 99.53 0.10 0.03 0.24 99.37 0.25 0.00 0.00 0.00 19 S H H 49.81 4.53 21.59 26.34 91.68 50.47 -64.63 -41.42 0.22 0.00 99.78 0.03 0.01 0.13 99.67 0.16 0.00 0.00 0.00 20 Y H H 16.99 20.09 16.28 36.46 92.16 49.73 -64.77 -42.75 0.11 0.00 99.89 0.01 0.01 0.07 99.84 0.07 0.00 0.00 0.00 21 L H H 41.02 13.17 18.60 32.36 91.62 51.59 -62.87 -41.58 0.11 0.00 99.89 0.01 0.00 0.07 99.84 0.08 0.00 0.00 0.00 22 N H H 89.99 1.87 22.44 22.44 91.51 50.86 -64.03 -40.46 0.37 0.00 99.63 0.02 0.01 0.31 99.46 0.21 0.00 0.00 0.00 23 L H H 33.03 9.97 16.24 28.24 91.68 51.17 -64.84 -39.99 1.21 0.00 98.79 0.05 0.04 1.03 98.44 0.43 0.00 0.00 0.00 24 L H H 30.63 16.57 12.37 29.08 92.08 52.17 -67.50 -34.10 9.79 0.02 90.19 0.56 0.52 8.52 89.55 0.83 0.01 0.01 0.01 25 Q H H 125.36 2.71 15.94 19.36 93.53 53.94 -73.10 -24.21 39.02 0.10 60.88 2.33 2.39 32.92 61.09 1.16 0.02 0.03 0.06 26 E C C 121.51 3.03 12.27 16.34 101.44 65.25 -83.40 -14.64 76.39 0.46 23.15 28.06 21.37 25.33 22.91 1.80 0.00 0.12 0.41 27 D C T 106.73 3.17 11.92 16.39 102.14 19.20 -90.12 12.64 95.65 0.29 4.06 22.76 22.11 51.16 1.73 1.92 0.00 0.15 0.18 28 E C C 158.22 1.45 14.15 15.87 97.42 -108.38 22.69 42.32 97.97 0.37 1.66 44.17 13.92 40.02 0.43 1.10 0.00 0.22 0.14 29 L C C 48.50 12.68 8.26 21.38 120.45 150.39 -97.76 143.77 97.47 1.34 1.18 81.92 14.29 1.03 0.77 0.38 0.00 0.50 1.13 30 D C C 90.82 1.95 19.45 20.07 120.30 -121.17 -81.84 158.43 97.74 0.55 1.70 96.43 1.06 0.50 1.34 0.16 0.00 0.19 0.31 31 E H H 104.73 11.81 12.87 24.96 92.35 -105.78 -59.03 -38.09 13.54 0.05 86.41 1.57 1.35 10.58 82.26 4.16 0.03 0.02 0.03 32 G H H 39.27 4.20 17.13 22.17 92.55 52.43 -63.67 -40.72 14.48 0.04 85.48 1.16 1.06 12.28 81.35 4.09 0.03 0.02 0.02 33 T H H 67.78 3.33 19.84 22.94 92.67 48.73 -67.09 -40.24 6.70 0.14 93.16 2.14 0.92 3.91 88.99 3.89 0.02 0.08 0.06 34 A H H 6.53 17.54 13.79 32.48 91.79 52.61 -63.04 -43.85 1.18 0.02 98.80 0.40 0.15 0.58 98.10 0.76 0.00 0.01 0.00 35 L H H 26.70 16.26 15.55 32.16 92.00 49.87 -63.76 -41.85 0.89 0.02 99.09 0.22 0.08 0.52 97.99 1.17 0.00 0.01 0.00 36 S H H 73.27 2.30 19.56 21.49 91.93 50.33 -64.54 -41.11 1.28 0.01 98.71 0.19 0.08 0.88 97.44 1.41 0.00 0.01 0.00 37 R H H 140.66 4.18 18.18 23.37 91.41 50.82 -66.19 -34.34 6.72 0.01 93.27 0.20 0.23 6.29 91.85 1.42 0.01 0.00 0.00 38 L C T 26.74 18.28 13.18 31.53 93.16 49.32 -83.76 -10.66 67.98 0.03 31.99 0.45 1.13 66.45 30.88 1.05 0.00 0.01 0.03 39 G C T 47.11 3.21 22.30 25.27 95.97 -117.40 74.03 23.17 99.44 0.01 0.55 2.63 1.16 95.82 0.33 0.07 0.00 0.00 0.00 40 L C C 24.88 20.25 9.33 28.67 110.15 152.88 -84.94 117.50 97.61 0.50 1.88 95.61 1.36 1.10 0.89 0.50 0.00 0.17 0.37 41 K C C 145.18 2.51 19.11 22.09 99.54 168.59 -95.36 -17.26 95.23 0.74 4.03 74.98 14.95 5.31 2.41 1.46 0.00 0.28 0.62 42 R C C 102.95 8.27 15.59 25.06 117.32 78.62 -93.79 133.26 85.72 4.87 9.42 43.04 36.52 5.94 6.75 2.30 0.02 1.40 4.03 43 Y H H 111.16 9.15 16.52 26.56 95.49 -135.77 -64.51 -35.65 31.72 4.57 63.71 11.30 10.79 13.22 49.09 9.64 1.54 1.92 2.51 44 C H H 47.91 9.27 17.98 28.15 92.81 54.08 -65.05 -37.67 25.23 1.58 73.19 4.70 4.85 16.04 59.58 12.71 0.53 1.00 0.58 45 C H H 21.25 16.01 16.24 32.55 93.25 50.28 -69.37 -37.24 19.12 2.94 77.94 5.61 3.81 10.63 63.04 13.55 0.45 2.11 0.79 46 R H H 82.36 12.60 17.37 29.98 92.93 56.18 -64.91 -39.65 13.56 2.66 83.79 6.11 2.92 6.02 72.50 9.60 0.14 2.17 0.55 47 R H H 114.82 6.37 19.72 26.66 93.20 52.44 -67.89 -38.17 15.80 2.47 81.73 4.70 2.87 8.98 71.41 9.11 0.38 2.04 0.51 48 M H H 63.35 11.61 17.69 29.61 94.85 49.05 -72.84 -36.54 20.63 3.14 76.22 5.58 3.79 12.18 66.86 7.87 0.54 2.46 0.72 49 I H H 47.01 15.40 16.11 31.12 97.22 46.71 -76.79 -35.42 30.63 5.09 64.28 7.68 5.89 18.41 56.99 5.70 0.53 3.55 1.25 50 L H H 86.20 7.50 17.43 25.51 98.62 46.23 -84.77 -20.84 41.63 9.89 48.48 16.65 9.65 17.13 42.80 4.35 0.41 6.65 2.36 51 T C C 63.87 7.48 15.10 23.72 109.41 66.50 -91.04 87.41 60.41 11.47 28.12 34.01 13.58 12.69 25.66 3.61 0.12 7.75 2.58 52 H C C 89.58 8.22 13.86 23.32 103.49 74.77 -83.07 44.51 68.54 8.87 22.59 55.65 5.28 6.17 21.94 2.59 0.01 5.84 2.52 53 V H H 72.43 7.23 14.05 22.68 96.05 115.15 -67.57 -36.18 28.44 1.37 70.19 18.93 4.12 6.04 66.82 2.90 0.02 0.83 0.35 54 D H H 87.53 3.04 16.07 19.53 94.12 55.78 -67.02 -36.80 17.85 0.54 81.60 9.51 2.40 6.37 78.47 2.77 0.01 0.32 0.15 55 L H H 70.54 5.79 14.41 21.77 93.55 52.68 -66.68 -39.76 7.49 0.22 92.29 3.57 1.15 3.22 88.87 2.98 0.01 0.14 0.06 56 I H H 65.36 6.98 13.65 22.39 92.44 51.10 -64.87 -41.51 2.91 0.09 97.00 1.38 0.44 1.25 94.66 2.18 0.00 0.06 0.02 57 E H H 97.42 3.10 15.18 19.07 92.01 51.11 -64.28 -40.66 2.37 0.07 97.56 0.90 0.31 1.25 94.67 2.80 0.01 0.05 0.01 58 K H H 110.12 2.78 14.89 18.23 92.17 50.41 -65.51 -40.24 3.32 0.07 96.61 0.87 0.37 2.12 93.10 3.46 0.01 0.05 0.02 59 F H H 98.17 5.22 13.11 19.86 92.67 50.31 -66.17 -39.22 4.24 0.05 95.71 0.80 0.42 2.89 91.88 3.96 0.01 0.03 0.01 60 L H H 89.59 4.20 12.60 18.31 93.02 52.21 -67.72 -34.26 13.86 0.11 86.03 1.90 1.23 10.24 78.75 7.73 0.04 0.06 0.05 61 R H H 159.87 1.71 13.76 15.59 94.38 54.17 -73.26 -26.41 39.55 0.17 60.27 3.81 2.75 32.09 54.34 6.76 0.04 0.08 0.12 62 Y C H 134.87 3.74 11.19 16.27 100.19 53.39 -85.80 -9.92 53.49 0.59 45.91 12.65 11.23 30.71 38.53 6.14 0.07 0.23 0.44 63 N C C 76.45 5.79 9.81 17.49 109.67 91.98 -92.12 105.55 78.77 0.74 20.49 53.81 19.38 5.53 16.75 3.75 0.00 0.25 0.54 64 P C H 85.08 3.52 10.48 15.68 99.10 -157.55 -67.98 -24.05 51.59 0.68 47.73 25.73 7.42 18.25 30.29 17.56 0.01 0.33 0.42 65 L H H 114.01 2.55 9.86 13.79 97.70 61.79 -78.83 -17.38 45.18 1.00 53.81 17.39 8.09 19.42 34.01 20.00 0.05 0.50 0.54 66 E H H 126.51 2.81 8.78 13.19 102.93 69.14 -80.58 -2.40 45.90 1.40 52.70 24.28 8.30 13.36 33.26 19.40 0.03 0.71 0.67 67 K C C 141.10 2.79 7.63 12.17 106.56 84.87 -84.71 70.98 59.53 1.77 38.71 34.94 10.86 14.57 27.33 10.48 0.02 0.81 0.98 68 R C C 176.13 1.63 7.92 10.96 106.78 75.29 -89.54 75.37 78.27 0.97 20.75 63.44 1.94 13.77 16.05 3.75 0.00 0.48 0.57 69 D C C 113.47 2.18 9.32 13.09 108.50 -148.01 -87.50 105.55 99.92 0.03 0.05 99.73 0.10 0.12 0.03 0.00 0.00 0.01 0.01