# 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 104.16 7.12 13.86 22.08 117.35 -160.66 -101.81 129.95 99.85 0.14 0.01 99.81 0.08 0.02 0.00 0.00 0.00 0.07 0.01 1 I C C 106.39 6.50 13.18 21.05 114.91 -144.60 -94.37 127.21 87.99 11.85 0.15 86.46 2.16 0.44 0.06 0.07 0.00 7.43 3.37 2 V C C 53.40 11.69 12.83 25.50 118.98 -154.57 -107.54 129.34 84.44 15.50 0.06 66.47 18.92 0.24 0.02 0.04 0.00 11.65 2.65 3 P C C 56.92 9.00 18.66 28.56 113.65 -114.95 -67.22 142.66 86.56 13.36 0.08 83.34 3.19 0.19 0.02 0.05 0.00 11.50 1.70 4 V C C 39.59 17.50 16.12 33.20 112.57 -163.36 -107.18 106.77 71.55 28.37 0.08 64.13 7.90 0.24 0.03 0.07 0.00 21.71 5.91 5 R E B 101.42 8.14 22.20 30.73 126.78 -104.08 -116.63 142.91 26.15 73.77 0.08 25.13 0.85 0.02 0.08 0.01 0.00 18.25 55.67 6 C C C 12.92 19.06 13.82 33.65 110.37 -109.07 -69.40 130.65 88.10 11.85 0.05 89.33 0.65 0.05 0.02 0.02 0.00 7.00 2.93 7 F C T 91.29 10.39 17.57 28.98 92.90 -139.52 -67.84 -26.65 99.71 0.12 0.17 0.32 3.81 95.64 0.01 0.13 0.00 0.07 0.03 8 T C T 75.14 7.52 17.28 25.28 99.68 42.88 -84.35 -39.30 99.81 0.06 0.13 0.06 1.98 97.84 0.00 0.08 0.00 0.03 0.02 9 C C T 67.83 5.23 16.02 22.37 102.16 18.61 -108.86 -12.95 99.77 0.05 0.17 0.41 3.51 95.88 0.01 0.14 0.00 0.03 0.01 10 G C C 38.85 7.76 14.36 23.53 95.48 -121.27 79.92 6.82 99.46 0.38 0.15 86.68 9.81 2.91 0.04 0.09 0.00 0.16 0.30 11 K C C 96.00 5.59 18.27 25.27 118.52 140.07 -78.75 145.40 97.12 2.72 0.16 86.30 10.68 0.32 0.08 0.07 0.00 1.36 1.19 12 V E B 57.50 11.62 18.66 30.85 110.10 -107.08 -71.34 129.31 7.89 91.92 0.19 5.79 0.29 0.04 0.17 0.02 0.00 10.24 83.46 13 I C C 18.02 20.70 16.53 37.04 99.25 -162.66 -89.13 -28.47 69.60 10.82 19.58 61.04 5.26 4.46 7.99 10.91 0.01 8.25 2.08 14 G H G 17.30 16.27 16.64 32.36 94.42 63.15 -62.21 -40.21 25.06 1.48 73.46 6.36 4.86 14.00 20.34 53.04 0.06 0.98 0.35 15 D H G 112.69 1.80 21.73 22.68 92.04 51.88 -75.07 -18.84 23.90 0.33 75.77 2.73 3.12 16.52 23.67 53.61 0.04 0.19 0.12 16 K H G 72.75 11.32 16.28 28.48 96.87 53.60 -97.90 3.53 25.29 0.24 74.47 4.33 2.82 16.73 28.24 47.63 0.02 0.14 0.11 17 Y H H 36.68 19.77 13.10 32.42 92.78 95.66 -60.40 -42.55 2.88 0.01 97.11 1.13 0.40 1.27 95.88 1.30 0.00 0.00 0.00 18 Y H H 136.61 2.41 21.21 22.84 91.86 51.52 -63.83 -41.20 0.46 0.00 99.54 0.07 0.03 0.28 99.34 0.28 0.00 0.00 0.00 19 E H H 88.80 3.66 20.88 24.46 91.55 50.09 -64.60 -41.14 0.18 0.00 99.82 0.02 0.01 0.12 99.69 0.17 0.00 0.00 0.00 20 F H H 15.62 18.62 13.97 33.12 91.95 50.48 -64.37 -42.20 0.13 0.00 99.87 0.01 0.01 0.08 99.86 0.05 0.00 0.00 0.00 21 K H H 88.57 8.40 18.34 27.49 91.56 51.83 -62.93 -41.49 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 22 R H H 138.43 1.34 20.34 19.43 91.66 50.00 -64.23 -41.47 0.10 0.00 99.90 0.00 0.00 0.07 99.90 0.01 0.00 0.00 0.00 23 R H H 65.79 7.86 14.61 24.41 92.09 49.40 -65.39 -40.58 0.21 0.00 99.79 0.02 0.01 0.14 99.80 0.03 0.00 0.00 0.00 24 V H H 44.75 12.60 11.33 24.55 92.19 50.45 -64.15 -41.18 0.69 0.00 99.31 0.06 0.03 0.49 99.28 0.14 0.00 0.00 0.00 25 E H H 153.71 1.05 14.56 15.26 90.29 52.57 -65.00 -27.37 6.66 0.00 93.34 0.16 0.20 6.19 93.19 0.25 0.00 0.00 0.00 26 A C T 80.72 1.64 12.50 14.51 92.76 55.45 -84.97 -2.50 86.41 0.01 13.58 0.22 0.95 84.47 14.04 0.31 0.00 0.00 0.01 27 G C T 63.32 0.74 14.38 14.00 95.68 -102.46 85.14 10.03 99.83 0.00 0.17 1.45 1.13 97.32 0.08 0.02 0.00 0.00 0.00 28 E C C 66.31 10.36 8.45 20.19 118.19 152.23 -78.21 144.79 99.73 0.23 0.04 97.15 2.46 0.06 0.02 0.01 0.00 0.05 0.24 29 D C C 89.62 2.48 20.01 21.57 108.80 -109.71 -74.80 123.51 99.91 0.05 0.04 99.66 0.26 0.02 0.02 0.00 0.00 0.01 0.02 30 P H H 41.44 17.65 11.39 28.62 92.60 -141.32 -59.87 -35.86 3.84 0.00 96.15 0.41 0.29 2.73 95.25 1.32 0.00 0.00 0.00 31 E H H 111.65 5.26 18.05 24.39 91.55 55.75 -64.14 -39.83 1.99 0.00 98.01 0.18 0.11 1.50 96.90 1.30 0.00 0.00 0.00 32 K H H 112.54 2.32 21.17 22.34 92.29 48.11 -66.29 -40.64 0.68 0.00 99.32 0.14 0.06 0.41 97.99 1.40 0.00 0.00 0.00 33 V H H 13.31 15.85 15.31 32.32 91.87 50.57 -63.58 -43.96 0.35 0.00 99.65 0.07 0.03 0.19 99.41 0.30 0.00 0.00 0.00 34 L H H 15.31 19.46 14.52 34.07 91.67 49.04 -63.18 -42.65 0.45 0.00 99.55 0.07 0.03 0.28 98.91 0.71 0.00 0.00 0.00 35 D H H 92.50 3.06 19.02 22.37 91.99 49.73 -64.10 -40.77 1.07 0.00 98.93 0.06 0.04 0.85 97.66 1.37 0.00 0.00 0.00 36 D H H 97.12 3.13 18.43 22.17 91.41 51.78 -66.74 -31.41 6.54 0.00 93.45 0.11 0.17 6.50 91.49 1.73 0.00 0.00 0.00 37 L C T 34.57 16.56 13.26 29.99 92.93 52.08 -84.10 -9.29 64.72 0.02 35.25 0.40 1.35 63.40 33.32 1.50 0.00 0.00 0.03 38 G C T 46.00 3.18 22.06 25.06 96.23 -117.46 75.84 21.25 99.72 0.01 0.27 3.82 1.11 94.91 0.10 0.05 0.00 0.00 0.00 39 L C C 22.22 20.89 8.84 28.69 108.90 159.09 -82.28 117.53 99.06 0.33 0.61 98.13 0.69 0.46 0.24 0.15 0.00 0.10 0.23 40 E C C 143.61 1.90 19.35 21.29 99.83 165.93 -100.97 -14.60 98.67 0.48 0.86 91.39 5.83 1.52 0.39 0.32 0.00 0.17 0.40 41 R C S 105.27 7.82 15.24 24.47 117.54 86.59 -90.68 134.02 91.00 4.63 4.37 33.13 53.24 3.51 3.24 0.97 0.01 0.96 4.94 42 Y C H 116.75 9.05 16.52 26.31 95.97 -122.72 -63.39 -35.51 51.12 3.25 45.63 6.69 19.06 26.66 33.79 7.47 1.84 0.91 3.58 43 C H H 45.92 11.05 18.08 29.65 94.39 46.67 -67.47 -29.53 46.88 0.87 52.25 3.63 8.14 34.85 42.96 8.54 0.79 0.37 0.72 44 C H H 16.77 17.99 16.19 34.29 97.86 49.37 -89.50 -7.46 32.79 1.10 66.11 8.31 5.30 20.01 55.36 9.49 0.28 0.58 0.66 45 R H H 75.37 15.02 17.04 31.64 92.89 78.60 -61.62 -42.25 6.09 0.27 93.64 2.67 1.05 2.77 88.72 4.53 0.02 0.18 0.06 46 R H H 132.78 4.04 21.97 26.29 91.93 50.82 -65.23 -39.85 3.68 0.17 96.14 0.98 0.50 2.24 90.95 5.15 0.02 0.14 0.03 47 M H H 57.75 11.52 19.57 31.46 92.32 48.89 -66.65 -40.86 3.73 0.17 96.11 0.91 0.50 2.31 90.73 5.36 0.02 0.13 0.03 48 L H H 13.02 22.43 15.53 37.44 92.28 49.90 -66.24 -40.31 7.23 0.28 92.49 1.67 1.05 4.57 87.84 4.57 0.05 0.18 0.07 49 L H H 76.03 10.00 18.85 29.20 92.35 51.59 -70.95 -28.04 23.86 1.09 75.05 7.08 3.64 14.08 70.11 3.96 0.11 0.59 0.43 50 S C H 64.99 4.18 18.87 23.37 93.93 59.92 -77.04 -19.24 54.49 1.93 43.58 17.64 9.30 27.82 39.96 3.48 0.10 0.85 0.87 51 H C C 58.83 12.94 14.13 27.66 99.55 59.29 -93.75 18.98 66.95 2.44 30.61 43.79 6.43 15.01 28.86 3.53 0.01 1.10 1.27 52 V H H 59.42 10.70 14.38 26.19 93.84 109.06 -62.99 -40.44 12.45 0.23 87.32 7.62 2.09 3.44 83.72 2.92 0.00 0.11 0.09 53 E H H 120.54 2.13 18.03 19.79 92.49 53.47 -64.96 -39.53 7.28 0.17 92.55 3.10 1.06 3.46 88.79 3.43 0.01 0.11 0.05 54 L H H 67.44 6.62 15.92 23.87 92.67 49.50 -66.44 -40.45 4.95 0.14 94.91 1.97 0.68 2.51 90.85 3.85 0.01 0.09 0.04 55 I H H 47.29 11.26 13.41 25.82 92.33 50.49 -65.17 -41.28 2.61 0.05 97.34 1.01 0.36 1.28 94.78 2.53 0.00 0.03 0.01 56 D H H 79.53 3.55 15.57 20.03 92.07 51.27 -64.82 -39.35 4.05 0.05 95.90 1.01 0.43 2.52 92.72 3.26 0.01 0.03 0.02 57 D H H 87.46 2.44 15.11 17.75 93.11 50.82 -67.37 -37.67 7.65 0.04 92.31 0.97 0.63 5.78 89.16 3.38 0.03 0.02 0.02 58 I H H 72.42 7.25 12.24 20.93 94.39 49.99 -71.39 -35.28 12.00 0.06 87.93 1.43 1.30 9.05 84.95 3.15 0.05 0.02 0.04 59 M H H 94.00 5.94 11.40 18.96 96.28 58.31 -72.05 -28.89 32.25 0.38 67.37 8.75 4.73 18.66 54.40 12.98 0.08 0.19 0.22 60 H C H 137.10 1.94 12.14 14.82 97.42 62.62 -75.40 -16.51 50.50 0.48 49.02 13.80 5.33 30.70 33.19 16.40 0.03 0.24 0.30 61 Y C C 140.43 4.35 8.86 14.89 102.73 65.05 -87.11 14.11 58.08 1.34 40.58 29.45 9.71 19.02 22.98 17.40 0.05 0.65 0.75 62 R C C 157.20 3.14 9.21 14.21 110.03 107.26 -88.21 110.23 73.41 2.88 23.71 49.94 11.36 11.96 15.55 8.29 0.02 1.53 1.34 63 V C C 109.81 2.74 8.54 13.10 111.20 -160.32 -93.46 118.71 83.35 2.55 14.10 73.63 1.81 8.90 9.34 3.63 0.00 1.64 1.03 64 Y C C 148.76 4.89 9.93 16.58 112.78 -154.75 -96.91 119.80 99.89 0.08 0.04 99.78 0.08 0.07 0.02 0.00 0.00 0.04 0.01