# 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 A C C 61.12 9.18 11.94 21.95 114.54 -140.42 -82.90 137.02 99.87 0.10 0.03 99.77 0.10 0.05 0.01 0.00 0.00 0.04 0.02 1 S C C 78.87 3.78 11.52 16.97 110.46 -146.78 -90.76 117.37 90.38 3.25 6.38 77.93 2.58 10.42 1.65 3.95 0.00 1.83 1.64 2 G C C 53.79 3.49 10.86 15.78 105.45 -44.52 71.66 5.25 87.78 5.48 6.74 44.68 21.54 21.85 1.11 5.68 0.00 2.80 2.34 3 W C C 166.27 4.31 9.63 15.55 109.25 100.76 -93.83 91.34 79.09 12.27 8.64 43.38 21.36 14.63 2.18 6.18 0.02 5.30 6.94 4 G C C 39.44 5.49 10.46 17.53 121.11 -4.32 117.51 165.13 83.40 7.96 8.64 47.30 21.72 14.52 1.98 6.51 0.01 3.34 4.63 5 I C T 127.39 3.56 10.15 15.12 99.61 -69.44 -78.89 -19.66 85.40 2.46 12.14 13.63 23.21 48.88 1.97 9.56 0.01 1.27 1.47 6 T C T 108.94 1.52 10.60 12.87 105.21 47.77 -98.80 32.65 85.03 2.43 12.54 11.38 22.07 51.64 2.10 10.02 0.01 1.28 1.50 7 G C S 51.08 3.26 10.39 15.07 112.56 2.85 76.92 -60.91 88.44 3.08 8.48 25.74 41.60 21.06 1.30 6.95 0.00 1.36 1.99 8 N C C 115.75 2.61 11.48 15.47 111.70 30.81 -87.99 133.11 92.81 4.07 3.13 45.67 33.71 13.43 0.71 2.43 0.00 1.84 2.22 9 K C C 136.61 4.23 12.05 18.04 111.16 -128.37 -84.88 136.00 90.95 6.14 2.91 61.84 22.00 6.24 0.94 1.99 0.00 2.38 4.61 10 G C C 30.08 8.41 11.74 21.42 122.06 -144.31 -83.14 165.45 94.55 3.17 2.27 76.54 14.49 2.71 1.15 1.04 0.00 1.03 3.05 11 R C T 148.83 4.36 15.91 21.33 93.48 -93.40 -67.92 -24.96 95.06 0.36 4.58 2.13 9.52 83.86 2.08 1.96 0.00 0.17 0.28 12 C C T 29.79 15.22 12.10 27.66 96.87 51.24 -95.08 1.80 94.02 0.10 5.88 3.48 4.59 86.51 3.71 1.58 0.00 0.04 0.09 13 Y H H 88.08 8.52 14.17 24.52 92.46 96.10 -60.10 -41.37 2.65 0.01 97.35 0.95 0.43 1.09 97.04 0.49 0.00 0.00 0.00 14 D H H 93.72 1.98 19.44 20.61 91.67 52.25 -64.53 -38.51 0.48 0.00 99.52 0.06 0.02 0.29 99.43 0.20 0.00 0.00 0.00 15 F H H 61.17 10.63 16.69 28.34 92.29 50.80 -65.60 -41.43 0.15 0.00 99.85 0.01 0.01 0.09 99.74 0.14 0.00 0.00 0.00 16 W H H 67.52 13.69 15.56 29.65 92.23 51.47 -64.52 -41.44 0.06 0.00 99.94 0.01 0.00 0.03 99.92 0.03 0.00 0.00 0.00 17 M H H 95.11 3.14 20.10 23.05 91.83 50.53 -64.12 -41.30 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 18 D H H 70.93 4.39 19.83 24.64 91.93 50.44 -64.81 -41.11 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 19 F H H 35.52 15.83 15.55 31.77 92.18 50.69 -64.87 -41.27 0.07 0.00 99.93 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 20 S H H 45.76 7.67 18.48 27.15 91.67 51.95 -63.18 -40.45 0.13 0.00 99.87 0.00 0.00 0.10 99.86 0.04 0.00 0.00 0.00 21 E H H 113.33 1.73 21.27 21.25 91.87 50.76 -65.10 -40.41 0.64 0.00 99.36 0.02 0.02 0.60 99.13 0.25 0.00 0.00 0.00 22 C H H 29.84 10.18 15.31 27.26 92.07 50.96 -64.86 -40.87 1.14 0.00 98.86 0.04 0.04 0.99 97.94 0.99 0.00 0.00 0.00 23 M H H 58.80 13.33 13.53 27.23 91.86 53.36 -65.86 -32.96 2.99 0.00 97.01 0.17 0.14 2.45 92.21 5.03 0.00 0.00 0.00 24 S H H 80.73 2.02 17.26 19.21 91.78 56.97 -70.48 -22.96 21.14 0.01 78.86 0.41 0.52 20.42 74.72 3.91 0.01 0.00 0.01 25 H H H 136.91 2.01 16.38 18.32 97.94 44.28 -96.54 -7.43 46.03 0.03 53.94 1.34 2.08 42.13 51.41 2.99 0.01 0.01 0.03 26 C C C 30.28 15.38 6.99 21.67 120.67 91.01 -97.37 140.73 98.56 0.26 1.18 91.57 5.13 1.73 0.99 0.17 0.00 0.06 0.35 27 R C S 188.61 0.93 16.02 16.14 97.67 -168.63 -91.54 -19.98 99.83 0.09 0.08 33.26 65.51 1.07 0.03 0.03 0.00 0.02 0.06 28 E C S 104.17 2.82 16.36 19.62 123.29 44.38 -122.98 137.13 99.71 0.18 0.11 21.34 78.17 0.19 0.05 0.02 0.00 0.03 0.19 29 P H G 71.72 10.75 10.56 22.13 92.13 -125.47 -58.65 -35.19 12.14 0.02 87.84 0.69 0.86 10.72 16.69 71.03 0.00 0.01 0.01 30 K H G 154.10 1.37 16.23 17.42 91.01 58.92 -66.37 -28.40 8.46 0.01 91.52 0.40 0.45 7.80 18.44 72.90 0.00 0.01 0.00 31 D H G 82.08 4.24 16.16 21.32 92.63 56.58 -77.31 -18.29 7.76 0.02 92.22 0.74 0.71 5.97 22.34 70.22 0.00 0.02 0.00 32 C H H 14.22 17.90 9.76 27.55 96.61 60.73 -87.73 -6.75 30.27 0.26 69.47 12.51 5.94 11.58 40.29 29.34 0.01 0.09 0.25 33 T H H 68.55 5.05 17.65 23.90 92.27 89.86 -60.92 -41.76 2.24 0.00 97.75 0.78 0.30 0.95 96.98 0.98 0.00 0.00 0.00 34 L H H 91.50 2.68 20.18 22.28 91.81 50.60 -64.57 -40.30 0.67 0.00 99.33 0.11 0.04 0.41 98.52 0.92 0.00 0.00 0.00 35 L H H 40.02 13.58 16.44 30.57 92.28 50.03 -65.58 -40.63 0.35 0.00 99.65 0.05 0.02 0.21 98.96 0.76 0.00 0.00 0.00 36 R H H 84.14 12.58 17.44 30.08 91.76 52.40 -62.93 -41.63 0.36 0.00 99.64 0.05 0.02 0.21 99.47 0.26 0.00 0.00 0.00 37 E H H 109.74 2.25 21.99 23.05 91.60 49.93 -64.50 -41.04 0.67 0.00 99.33 0.06 0.03 0.47 99.31 0.13 0.00 0.00 0.00 38 D H H 57.63 6.80 19.21 27.05 91.99 49.85 -65.09 -41.30 0.89 0.00 99.11 0.09 0.06 0.62 99.08 0.15 0.00 0.00 0.00 39 Y H H 38.71 16.29 16.04 32.50 91.97 50.15 -64.34 -42.29 0.76 0.01 99.23 0.12 0.08 0.49 98.98 0.32 0.01 0.00 0.00 40 L H H 72.86 6.28 19.88 26.87 91.67 50.14 -64.00 -40.99 0.89 0.01 99.10 0.14 0.09 0.61 98.54 0.61 0.01 0.00 0.00 41 E H H 89.98 3.20 20.12 23.12 91.77 50.43 -64.68 -41.06 1.64 0.01 98.35 0.17 0.14 1.27 97.14 1.26 0.01 0.00 0.00 42 C H H 28.75 12.22 15.27 28.71 92.48 50.17 -67.00 -36.03 5.40 0.01 94.59 0.26 0.31 4.81 92.20 2.42 0.01 0.00 0.00 43 L H H 61.34 11.98 15.67 28.12 93.26 50.83 -76.02 -25.05 21.75 0.02 78.23 0.54 1.07 20.52 75.84 2.00 0.02 0.00 0.01 44 H C T 124.33 3.16 17.18 20.71 99.71 43.60 -102.00 -4.39 57.78 0.14 42.08 4.15 8.79 43.26 41.55 2.05 0.02 0.04 0.13 45 H C S 76.89 7.21 11.18 20.35 119.29 100.20 -89.54 146.96 93.21 0.74 6.05 40.83 50.13 1.78 5.92 0.53 0.00 0.12 0.69 46 S H H 81.85 1.93 14.68 17.08 92.75 -125.73 -60.47 -36.67 8.31 0.02 91.66 1.51 1.70 5.00 89.74 2.02 0.01 0.01 0.02 47 K H H 115.87 2.89 15.58 19.03 92.11 54.13 -65.30 -38.73 4.97 0.01 95.02 0.81 0.55 3.28 93.24 2.11 0.01 0.01 0.01 48 E H H 42.33 10.48 12.80 25.04 92.10 51.53 -64.93 -41.06 2.07 0.01 97.92 0.50 0.21 1.13 96.40 1.75 0.00 0.00 0.00 49 F H H 91.38 5.09 16.12 22.48 91.61 50.68 -63.84 -41.52 1.27 0.00 98.73 0.35 0.13 0.63 98.31 0.58 0.00 0.00 0.00 50 Q H H 98.67 1.84 18.50 19.25 91.57 50.29 -63.99 -41.70 0.77 0.00 99.23 0.22 0.06 0.36 99.20 0.17 0.00 0.00 0.00 51 R H H 101.27 5.54 16.58 23.23 92.10 50.06 -64.68 -41.26 0.53 0.00 99.47 0.11 0.03 0.30 99.41 0.15 0.00 0.00 0.00 52 R H H 95.38 8.37 15.51 24.92 91.73 50.77 -63.80 -40.89 0.50 0.00 99.50 0.06 0.02 0.32 99.46 0.14 0.00 0.00 0.00 53 N H H 86.12 2.33 17.92 19.80 91.61 50.46 -64.44 -40.66 0.63 0.00 99.37 0.08 0.03 0.38 99.44 0.08 0.00 0.00 0.00 54 R H H 125.52 2.14 17.72 19.30 91.96 50.52 -64.81 -41.58 0.30 0.00 99.70 0.04 0.01 0.16 99.75 0.04 0.00 0.00 0.00 55 I H H 63.45 6.24 14.83 22.59 92.22 49.46 -64.56 -42.04 0.25 0.00 99.75 0.03 0.01 0.14 99.78 0.04 0.00 0.00 0.00 56 Y H H 111.32 3.82 15.45 20.23 91.80 50.04 -64.05 -41.23 0.24 0.00 99.76 0.03 0.01 0.12 99.80 0.04 0.00 0.00 0.00 57 K H H 113.11 1.56 16.11 16.80 91.69 50.57 -63.85 -40.94 0.30 0.00 99.70 0.04 0.01 0.17 99.73 0.06 0.00 0.00 0.00 58 E H H 87.14 2.60 13.73 17.20 91.67 50.35 -64.37 -40.51 0.43 0.00 99.57 0.05 0.02 0.27 99.54 0.12 0.00 0.00 0.00 59 E H H 89.46 4.26 11.36 17.28 92.06 50.75 -64.31 -39.69 0.94 0.00 99.06 0.12 0.06 0.60 98.82 0.39 0.00 0.00 0.00 60 Q H H 119.86 1.71 11.48 13.82 91.84 51.30 -65.78 -37.12 3.35 0.00 96.64 0.32 0.19 2.54 95.67 1.28 0.00 0.00 0.00 61 R H H 175.51 0.83 10.70 11.29 92.61 52.95 -68.94 -29.50 20.43 0.01 79.56 0.94 0.78 18.46 78.13 1.67 0.00 0.00 0.01 62 K C H 148.14 1.56 9.44 11.92 96.22 52.52 -79.35 -10.87 50.30 0.06 49.65 9.45 0.79 37.92 50.24 1.54 0.00 0.01 0.05 63 L C C 106.55 4.69 9.78 15.95 102.74 91.18 -77.27 43.82 99.95 0.02 0.03 99.83 0.08 0.05 0.02 0.00 0.00 0.01 0.00