# 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 113.53 4.74 10.10 16.51 113.00 -159.92 -90.00 135.65 99.92 0.02 0.06 99.80 0.08 0.07 0.03 0.00 0.00 0.01 0.00 1 S C C 70.20 3.13 9.18 13.87 110.62 -121.04 -77.40 139.26 81.07 0.38 18.55 75.29 0.79 5.70 16.12 1.72 0.00 0.17 0.21 2 K C C 142.62 2.21 9.09 12.66 99.14 -133.19 -73.13 -21.15 60.69 0.87 38.44 41.20 7.23 11.85 34.06 4.81 0.00 0.38 0.47 3 F H H 137.26 2.25 8.90 12.34 95.30 71.99 -68.74 -32.06 42.47 1.28 56.24 26.38 6.72 10.57 47.04 8.07 0.02 0.66 0.54 4 Y H H 138.00 2.42 9.64 13.34 94.34 58.12 -68.26 -34.68 31.77 2.21 66.02 19.11 5.01 9.13 54.61 10.01 0.03 1.50 0.61 5 K H H 122.43 2.03 10.47 13.53 94.07 56.73 -66.84 -37.12 20.47 1.65 77.88 11.47 3.61 6.71 65.53 11.07 0.04 1.13 0.44 6 I H H 100.76 2.28 10.68 13.99 93.05 53.30 -67.03 -38.14 8.09 0.41 91.50 2.92 1.34 3.84 75.82 15.70 0.02 0.27 0.09 7 W H H 151.13 2.95 10.19 14.60 93.52 52.58 -69.35 -32.53 5.90 0.14 93.96 1.39 0.73 3.42 76.63 17.70 0.01 0.10 0.03 8 M H H 121.90 2.15 10.87 13.95 94.63 53.27 -72.87 -29.92 12.84 0.16 87.00 1.68 1.29 8.87 69.67 18.30 0.04 0.10 0.06 9 I H H 121.63 1.50 11.95 13.55 97.54 43.70 -83.72 -28.16 26.86 0.32 72.82 2.87 3.37 20.36 62.39 10.54 0.14 0.16 0.17 10 F C H 111.06 4.82 9.40 16.00 114.01 54.40 -101.36 126.43 57.17 1.64 41.19 16.06 28.39 14.34 36.83 2.45 0.19 0.44 1.30 11 D C C 76.38 3.69 11.65 16.98 108.69 -134.54 -87.46 113.28 96.45 0.18 3.37 91.92 3.47 0.88 3.38 0.20 0.00 0.06 0.09 12 P H H 81.11 4.52 10.61 17.29 93.27 -155.19 -62.19 -34.22 13.75 0.07 86.18 4.07 1.53 8.04 82.37 3.92 0.01 0.03 0.04 13 R H H 154.13 1.52 13.37 15.00 91.65 54.95 -65.43 -38.92 7.40 0.04 92.56 1.06 0.69 5.41 88.95 3.82 0.02 0.02 0.02 14 R H H 131.08 2.21 13.65 16.29 92.63 49.57 -66.81 -39.24 4.80 0.06 95.14 1.29 0.53 2.85 90.55 4.72 0.01 0.03 0.02 15 V H H 66.92 4.32 12.12 18.21 92.16 50.53 -65.01 -41.58 3.05 0.05 96.90 1.14 0.38 1.45 95.76 1.23 0.00 0.02 0.02 16 F H H 119.42 2.33 14.25 17.09 92.04 49.97 -65.32 -41.06 1.38 0.01 98.61 0.56 0.14 0.55 98.49 0.25 0.00 0.00 0.01 17 V H H 88.01 1.63 15.12 16.25 91.96 49.38 -64.67 -42.03 0.51 0.00 99.49 0.16 0.04 0.24 99.45 0.12 0.00 0.00 0.00 18 A H H 55.84 2.41 14.53 17.48 91.84 49.88 -64.20 -41.37 0.32 0.00 99.68 0.06 0.02 0.18 99.65 0.10 0.00 0.00 0.00 19 Q H H 95.91 2.80 14.48 18.04 91.88 49.73 -64.87 -40.03 0.36 0.00 99.64 0.04 0.02 0.22 99.64 0.08 0.00 0.00 0.00 20 G H H 36.35 2.70 14.31 17.82 91.98 51.16 -63.97 -40.72 0.54 0.00 99.46 0.06 0.02 0.35 99.49 0.07 0.00 0.00 0.00 21 V H H 87.82 1.62 15.48 16.46 91.89 50.13 -64.71 -41.44 0.30 0.00 99.69 0.03 0.01 0.20 99.72 0.04 0.00 0.00 0.00 22 F H H 118.11 1.97 14.92 16.82 92.06 49.88 -64.85 -41.22 0.16 0.00 99.84 0.02 0.01 0.10 99.85 0.03 0.00 0.00 0.00 23 L H H 90.67 2.89 14.13 17.88 91.97 50.35 -64.65 -41.24 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.02 0.00 0.00 0.00 24 F H H 123.19 2.12 14.89 17.17 91.88 50.32 -64.63 -41.03 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 25 L H H 96.68 1.55 15.88 16.59 91.79 49.88 -64.53 -41.67 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 26 L H H 89.55 2.26 15.56 17.86 91.91 49.51 -64.66 -41.68 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 27 A H H 48.03 4.16 13.82 19.66 91.52 51.02 -62.89 -41.68 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 28 V H H 84.79 2.17 15.91 17.99 91.76 50.31 -64.69 -41.16 0.07 0.00 99.93 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 29 M H H 106.39 1.59 16.27 16.98 91.89 50.17 -64.60 -41.60 0.11 0.00 99.89 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 30 I H H 85.84 3.34 15.01 19.18 91.89 49.23 -64.61 -42.12 0.13 0.00 99.87 0.01 0.00 0.09 99.87 0.03 0.00 0.00 0.00 31 H H H 91.26 5.06 13.83 20.38 91.73 50.80 -64.06 -40.74 0.21 0.00 99.79 0.01 0.01 0.15 99.74 0.09 0.00 0.00 0.00 32 L H H 99.57 1.72 15.50 16.80 91.67 50.73 -64.49 -41.07 0.30 0.00 99.70 0.01 0.01 0.24 99.52 0.21 0.00 0.00 0.00 33 I H H 100.32 1.78 15.18 16.60 92.05 49.38 -65.36 -41.26 0.69 0.00 99.31 0.03 0.03 0.59 98.81 0.54 0.00 0.00 0.00 34 L H H 73.78 5.82 12.15 19.71 92.51 49.75 -66.16 -38.42 3.30 0.01 96.69 0.15 0.16 2.95 95.48 1.25 0.00 0.00 0.00 35 L H H 98.79 4.18 12.01 17.82 92.40 54.57 -72.18 -22.83 23.86 0.06 76.09 1.08 1.20 21.44 74.38 1.81 0.03 0.02 0.04 36 S C T 86.31 1.27 13.30 14.35 94.72 56.69 -86.08 -6.14 65.62 0.31 34.07 6.24 6.21 51.04 33.73 2.43 0.02 0.12 0.21 37 T C S 58.31 6.07 7.92 16.20 117.29 95.54 -87.74 137.83 96.85 0.91 2.24 34.44 59.63 2.64 1.70 0.54 0.00 0.26 0.79 38 P C T 120.51 1.17 11.86 13.35 94.78 -131.32 -68.15 -17.75 79.42 0.41 20.17 14.44 16.78 48.65 5.82 13.76 0.00 0.19 0.35 39 S C T 83.91 2.08 11.64 14.69 97.90 66.54 -81.67 -7.76 77.61 0.65 21.74 15.76 14.07 48.25 7.12 13.99 0.01 0.31 0.49 40 Y C C 101.62 8.69 8.66 18.56 109.90 76.08 -92.90 103.48 72.32 2.65 25.03 40.61 17.31 14.77 10.13 14.21 0.02 1.12 1.85 41 N C C 77.02 4.94 12.14 18.82 110.52 127.64 -99.57 107.39 79.98 1.72 18.30 65.71 7.65 6.37 13.75 4.67 0.00 0.77 1.07 42 W H H 154.32 4.55 11.66 17.96 94.03 -155.43 -65.75 -31.27 34.53 0.59 64.88 9.33 6.30 18.87 50.86 13.91 0.10 0.30 0.33 43 L H H 110.83 1.92 13.29 15.58 93.26 55.30 -68.26 -33.99 31.35 0.53 68.12 7.74 5.08 18.20 54.77 13.54 0.10 0.29 0.27 44 E H H 106.13 3.15 13.38 17.55 93.77 53.30 -68.88 -35.53 21.27 0.47 78.26 10.18 3.93 7.72 64.99 12.72 0.02 0.27 0.17 45 I H H 76.84 5.25 11.78 18.82 93.50 55.83 -65.55 -40.21 14.66 0.26 85.08 8.17 2.80 4.85 78.79 5.15 0.01 0.14 0.09 46 S H H 60.42 2.68 13.85 17.33 92.98 51.62 -65.21 -38.48 12.58 0.24 87.18 7.17 1.81 4.37 81.70 4.72 0.01 0.14 0.07 47 A H H 62.34 2.41 13.19 16.35 93.10 52.15 -66.31 -37.47 10.63 0.22 89.16 5.13 1.77 4.36 83.39 5.14 0.01 0.13 0.07 48 A H H 56.94 3.80 11.70 17.10 93.93 54.36 -67.35 -36.99 13.10 0.29 86.61 6.27 2.23 5.35 81.08 4.78 0.02 0.18 0.10 49 K H H 130.86 2.36 12.07 15.43 94.90 54.05 -71.10 -33.10 20.60 0.53 78.87 10.38 3.50 7.93 73.32 4.34 0.03 0.30 0.20 50 Y H H 152.08 2.27 10.41 13.78 97.65 57.47 -75.55 -24.97 29.18 0.89 69.94 15.67 5.06 9.87 64.47 4.08 0.03 0.47 0.34 51 N H H 114.90 1.96 9.57 12.75 100.04 63.32 -79.42 -3.49 42.86 1.34 55.79 24.27 6.38 13.23 50.83 4.04 0.03 0.73 0.49 52 R C H 174.08 1.47 8.42 11.09 102.65 71.13 -83.19 7.72 54.30 3.13 42.58 31.86 8.15 15.43 37.19 4.47 0.04 1.74 1.12 53 V C C 116.29 1.73 7.18 10.46 107.81 75.89 -89.14 79.95 70.56 3.00 26.45 54.70 2.04 12.83 25.27 2.19 0.00 1.59 1.36 54 A C C 82.28 2.75 10.26 14.62 109.39 -135.81 -84.14 122.16 99.91 0.06 0.04 99.80 0.08 0.07 0.02 0.00 0.00 0.03 0.01