# 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 102.85 7.00 14.31 22.29 111.10 -155.63 -88.20 120.60 99.73 0.10 0.17 99.63 0.09 0.08 0.12 0.01 0.00 0.04 0.02 1 M C C 102.84 6.99 11.43 19.56 104.27 115.11 -79.66 -0.88 56.47 2.17 41.37 52.41 1.10 3.83 39.09 1.69 0.00 1.27 0.61 2 E H H 118.95 4.12 12.30 17.83 98.45 76.03 -72.78 -33.94 38.68 4.03 57.29 29.70 4.42 5.53 53.62 2.92 0.01 3.10 0.71 3 A H H 60.99 4.38 13.66 19.17 97.74 58.96 -71.09 -36.46 27.21 4.41 68.38 21.00 3.41 4.40 63.30 3.43 0.01 3.90 0.55 4 M H H 84.18 7.72 14.75 23.36 95.77 56.69 -69.07 -38.49 19.25 5.52 75.23 15.17 2.53 3.34 69.61 3.47 0.01 5.34 0.52 5 V H H 53.00 11.39 14.34 26.27 95.18 55.64 -67.49 -40.62 13.18 5.35 81.48 9.88 1.85 2.72 76.64 2.95 0.01 5.53 0.41 6 K H H 113.59 4.83 17.93 23.40 94.22 53.88 -67.13 -40.20 11.81 5.67 82.51 7.82 1.65 3.18 77.80 3.09 0.02 6.04 0.40 7 Y H H 111.00 5.41 17.43 23.37 94.01 51.08 -67.12 -40.94 12.17 5.30 82.53 7.06 1.86 4.20 77.16 3.66 0.05 5.56 0.44 8 L H H 60.29 9.19 15.35 25.66 94.41 50.42 -68.00 -39.20 14.11 4.31 81.58 7.61 2.36 5.29 76.55 3.53 0.07 4.10 0.49 9 A H H 38.95 9.38 13.22 23.98 94.51 53.03 -67.70 -36.83 22.32 3.73 73.95 11.77 3.79 8.16 68.99 3.53 0.07 3.06 0.64 10 E H H 125.12 3.03 15.18 18.97 95.82 53.73 -71.62 -31.81 32.07 3.03 64.89 15.22 5.45 12.79 59.84 3.75 0.08 2.12 0.75 11 K H H 131.25 3.67 13.20 18.08 98.38 60.50 -78.06 -18.52 42.15 2.32 55.53 15.74 8.23 19.73 50.15 3.87 0.11 1.37 0.82 12 A C T 66.57 6.00 11.65 18.97 100.42 55.99 -83.15 0.71 72.99 0.68 26.33 9.17 9.19 52.97 24.30 3.66 0.02 0.32 0.37 13 G C T 57.47 2.12 15.22 17.83 99.90 -101.75 75.44 10.31 88.17 0.67 11.16 19.83 11.15 57.17 8.91 2.31 0.00 0.34 0.29 14 I C C 59.80 12.42 9.29 22.13 115.50 135.60 -92.81 133.35 81.49 2.28 16.23 65.44 10.40 4.25 16.16 1.64 0.00 1.04 1.07 15 S C C 61.88 3.60 17.09 20.93 114.29 -129.56 -81.65 156.54 74.17 1.73 24.10 63.67 5.29 3.76 24.39 1.45 0.00 0.91 0.53 16 E H H 104.19 9.89 13.56 23.95 94.60 -112.47 -63.81 -34.82 19.94 1.15 78.91 12.37 4.50 4.54 75.46 2.13 0.01 0.72 0.27 17 V H H 87.25 4.01 16.91 21.45 93.51 54.94 -66.74 -39.62 10.57 1.33 88.11 6.31 1.68 3.10 85.56 2.00 0.01 1.17 0.18 18 E H H 92.57 4.39 18.88 23.70 93.01 50.62 -66.83 -39.50 8.06 1.10 90.85 5.34 0.98 2.16 88.58 1.80 0.00 1.00 0.13 19 A H H 20.16 13.44 15.55 30.04 92.30 51.91 -64.65 -41.71 3.44 0.31 96.24 2.09 0.42 1.03 95.32 0.83 0.00 0.26 0.04 20 A H H 33.15 10.52 17.52 29.07 92.17 52.08 -63.83 -41.48 1.99 0.22 97.80 1.06 0.22 0.70 97.34 0.47 0.00 0.18 0.03 21 E H H 100.49 3.60 21.50 24.95 92.07 51.18 -64.84 -40.91 1.57 0.23 98.20 0.77 0.17 0.63 97.79 0.41 0.00 0.20 0.03 22 I H H 59.59 8.23 19.71 28.86 92.28 49.90 -64.97 -42.45 1.23 0.19 98.59 0.57 0.13 0.54 98.21 0.37 0.00 0.16 0.02 23 V H H 33.71 15.01 17.57 32.67 92.25 49.55 -64.47 -42.11 1.31 0.15 98.54 0.49 0.13 0.66 98.17 0.41 0.00 0.13 0.01 24 L H H 70.43 8.18 19.12 27.89 91.97 50.54 -64.36 -40.74 2.65 0.18 97.17 0.69 0.24 1.63 96.50 0.76 0.01 0.14 0.03 25 K H H 116.51 2.98 20.83 23.48 92.17 50.71 -66.42 -38.51 8.67 0.46 90.87 1.51 0.74 6.34 89.67 1.27 0.03 0.35 0.09 26 A H H 30.83 10.58 15.74 27.68 92.64 51.89 -68.08 -36.01 20.11 1.24 78.64 5.36 2.59 12.52 76.21 2.06 0.07 0.87 0.32 27 V H H 49.70 12.12 13.93 26.61 95.15 54.47 -73.05 -29.93 35.57 6.63 57.80 18.51 6.08 11.86 54.73 2.64 0.08 4.75 1.35 28 K C H 134.13 3.23 16.07 20.10 98.10 65.77 -72.75 -21.79 47.33 11.92 40.75 29.80 5.45 11.11 39.36 2.82 0.04 9.51 1.91 29 I C C 106.15 4.42 12.52 18.24 101.34 71.84 -82.53 -13.24 53.64 14.02 32.34 31.94 9.10 12.02 30.19 3.38 0.09 10.96 2.33 30 S C C 69.47 5.02 11.55 17.94 105.74 52.54 -91.60 31.90 69.60 7.94 22.46 30.90 11.79 25.91 20.66 3.37 0.05 5.71 1.62 31 G C T 56.69 2.75 12.69 16.41 103.42 -103.33 68.47 6.98 82.98 1.85 15.17 23.86 20.20 39.03 11.78 3.41 0.01 1.06 0.65 32 G C C 45.68 4.99 12.23 18.59 107.37 82.34 -61.74 -4.65 74.55 3.19 22.26 29.20 25.54 19.89 18.35 4.12 0.04 1.85 1.01 33 D C C 93.37 4.15 13.51 18.96 105.37 91.77 -81.63 73.86 55.97 9.01 35.02 37.45 11.41 7.36 31.58 3.74 0.04 6.77 1.64 34 V H H 77.17 7.19 12.96 21.45 97.89 83.04 -72.07 -31.66 30.39 14.37 55.24 21.51 4.94 5.03 50.53 3.51 0.06 12.94 1.48 35 V H H 70.69 7.35 13.77 22.41 96.89 57.04 -72.21 -35.93 21.22 15.96 62.81 14.71 2.95 3.88 58.13 3.52 0.04 15.75 1.03 36 K H H 113.46 5.32 15.89 22.20 95.91 55.39 -71.30 -35.51 20.29 14.89 64.82 13.16 2.88 4.33 59.89 3.84 0.05 14.97 0.89 37 S H H 54.97 7.04 15.21 23.27 96.94 52.55 -73.87 -30.72 21.97 11.22 66.81 14.29 3.00 4.94 62.16 3.58 0.04 11.20 0.79 38 I H H 80.09 7.22 14.92 23.29 96.94 55.63 -72.59 -34.46 18.26 8.88 72.86 11.67 2.63 4.08 69.75 2.44 0.04 8.76 0.63 39 E H H 99.22 5.02 18.02 23.62 95.53 57.09 -67.93 -38.83 16.78 6.47 76.75 11.06 1.84 3.73 74.44 1.89 0.02 6.55 0.48 40 L H H 59.09 10.41 16.14 27.36 93.84 53.13 -65.69 -41.26 7.51 1.55 90.95 4.57 0.94 2.14 89.59 1.11 0.01 1.49 0.15 41 V H H 60.94 7.52 17.54 26.12 92.50 50.94 -64.56 -41.98 2.72 0.29 96.99 1.36 0.33 1.05 96.48 0.49 0.00 0.24 0.04 42 D H H 73.88 4.04 19.56 23.90 92.24 50.40 -65.38 -40.95 1.63 0.09 98.28 0.75 0.18 0.71 97.97 0.30 0.01 0.06 0.02 43 L H H 58.13 7.48 17.79 26.62 92.23 50.50 -64.60 -42.16 0.70 0.02 99.28 0.25 0.07 0.34 99.17 0.15 0.00 0.01 0.00 44 F H H 70.65 10.22 17.23 28.27 92.34 50.38 -64.72 -42.34 0.39 0.01 99.60 0.11 0.03 0.21 99.56 0.08 0.00 0.00 0.00 45 I H H 75.14 5.21 18.13 24.30 91.91 49.47 -64.26 -42.25 0.29 0.00 99.71 0.06 0.02 0.17 99.69 0.06 0.00 0.00 0.00 46 E H H 94.69 3.16 18.24 21.58 92.00 49.85 -64.76 -41.65 0.42 0.00 99.57 0.06 0.03 0.29 99.54 0.09 0.00 0.00 0.00 47 I H H 57.92 7.25 15.16 24.05 92.26 48.99 -65.03 -41.89 1.10 0.01 98.89 0.12 0.07 0.82 98.79 0.19 0.00 0.00 0.00 48 L H H 70.20 7.12 13.88 22.44 92.50 49.35 -66.07 -38.88 3.84 0.01 96.15 0.36 0.27 2.97 95.97 0.40 0.00 0.00 0.01 49 N H H 98.02 2.70 13.86 17.28 93.36 51.59 -70.59 -27.60 19.02 0.08 80.90 1.85 1.49 15.13 80.50 0.93 0.02 0.03 0.04 50 K H H 131.62 2.66 11.78 15.55 96.52 58.37 -76.55 -16.74 48.73 0.33 50.93 4.64 5.40 37.83 49.82 1.93 0.06 0.12 0.20 51 G C T 49.52 4.20 10.60 16.25 100.60 46.88 -63.44 -1.34 67.75 1.11 31.14 16.43 8.57 42.25 29.25 2.50 0.02 0.46 0.52 52 R C C 156.55 3.10 8.96 13.82 104.90 94.49 -83.74 38.83 86.02 1.63 12.35 70.76 1.95 13.08 10.70 1.80 0.00 0.79 0.93 53 E C C 137.90 2.68 11.40 15.60 106.92 90.88 -84.40 94.87 99.92 0.05 0.02 99.84 0.07 0.05 0.01 0.00 0.00 0.02 0.01