# 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 108.04 5.25 10.70 17.50 111.74 -161.56 -86.79 128.76 99.80 0.06 0.14 99.69 0.10 0.07 0.09 0.01 0.00 0.02 0.01 1 D C C 95.54 2.40 10.48 13.96 109.57 -129.03 -76.07 132.39 60.49 0.59 38.91 55.42 0.82 3.76 38.63 0.89 0.00 0.21 0.28 2 V H H 103.02 2.30 9.21 12.79 95.71 -114.02 -65.97 -36.40 15.04 0.22 84.74 8.91 2.11 3.94 83.86 1.01 0.00 0.09 0.08 3 I H H 115.57 1.36 10.74 12.41 93.35 53.67 -65.99 -38.66 4.07 0.11 95.81 1.99 0.57 1.54 94.92 0.88 0.00 0.07 0.03 4 A H H 61.18 1.87 11.39 13.95 92.32 51.27 -65.15 -40.75 1.73 0.06 98.21 0.82 0.21 0.71 97.42 0.78 0.00 0.04 0.01 5 Y H H 130.67 2.18 11.99 14.95 92.56 50.26 -65.95 -40.23 1.25 0.04 98.71 0.52 0.15 0.60 98.23 0.47 0.00 0.03 0.01 6 V H H 83.30 2.08 12.64 15.32 92.28 50.30 -65.01 -41.71 0.69 0.02 99.29 0.26 0.07 0.32 99.22 0.11 0.00 0.01 0.00 7 F H H 126.70 1.57 13.58 15.01 92.21 49.54 -65.17 -41.26 0.27 0.00 99.73 0.08 0.02 0.12 99.74 0.04 0.00 0.00 0.00 8 I H H 98.34 2.01 13.73 16.05 92.19 48.89 -65.02 -41.76 0.13 0.00 99.87 0.03 0.01 0.06 99.89 0.02 0.00 0.00 0.00 9 L H H 96.32 2.07 14.23 16.54 92.08 49.16 -65.05 -40.85 0.10 0.00 99.90 0.01 0.00 0.05 99.91 0.02 0.00 0.00 0.00 10 A H H 63.69 1.74 14.62 16.12 91.80 50.18 -64.80 -40.87 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 11 C H H 73.62 1.92 14.46 16.37 92.06 50.30 -65.33 -40.82 0.37 0.00 99.62 0.03 0.01 0.28 99.64 0.05 0.00 0.00 0.00 12 I H H 90.68 2.53 14.16 17.32 92.21 50.67 -64.72 -41.62 0.60 0.00 99.40 0.06 0.03 0.42 99.42 0.08 0.00 0.00 0.00 13 I H H 98.84 1.79 14.96 16.48 91.90 49.61 -64.48 -41.48 0.63 0.00 99.36 0.07 0.04 0.43 99.30 0.16 0.00 0.00 0.00 14 G H H 38.19 2.02 14.50 16.70 91.79 51.06 -63.88 -41.37 1.46 0.01 98.54 0.16 0.08 1.06 98.33 0.37 0.00 0.00 0.00 15 L H H 91.74 2.41 14.04 16.97 92.08 49.77 -65.44 -40.76 2.69 0.02 97.29 0.22 0.16 2.11 96.95 0.54 0.00 0.01 0.00 16 F H H 116.53 2.33 13.90 16.76 92.27 49.57 -65.23 -41.24 4.05 0.05 95.90 0.60 0.40 2.84 95.33 0.78 0.01 0.03 0.02 17 F H H 122.76 1.52 14.14 15.24 92.06 49.76 -65.07 -41.47 5.94 0.10 93.96 1.56 0.63 3.64 92.38 1.68 0.02 0.05 0.04 18 F H H 117.26 1.81 13.37 15.28 92.65 49.51 -66.00 -39.78 4.78 0.08 95.14 1.12 0.52 3.16 92.22 2.89 0.02 0.04 0.03 19 A H H 51.74 3.34 10.92 16.01 92.47 52.26 -66.20 -38.53 4.77 0.07 95.17 0.77 0.48 3.54 90.96 4.15 0.03 0.04 0.02 20 V H H 96.27 1.74 11.80 13.90 93.79 49.64 -69.15 -38.48 8.31 0.08 91.61 0.77 0.70 7.10 86.82 4.46 0.07 0.04 0.04 21 F H H 153.67 1.04 11.28 12.02 95.06 47.34 -74.33 -30.21 21.68 0.15 78.17 1.50 2.13 18.38 74.28 3.42 0.13 0.06 0.09 22 F C H 142.63 2.06 8.86 12.04 100.66 46.15 -93.68 -2.06 53.99 1.30 44.71 11.47 11.84 32.25 39.65 3.29 0.18 0.48 0.85 23 R C C 173.98 1.79 8.52 11.67 101.69 125.73 -74.52 -1.73 82.30 2.38 15.32 38.67 22.67 21.37 11.67 3.27 0.02 0.95 1.37 24 E C C 144.69 1.25 9.55 11.71 117.17 93.40 -94.39 138.43 95.04 1.87 3.09 51.04 39.86 4.23 1.98 0.98 0.00 0.68 1.23 25 K C C 148.80 2.44 9.65 13.83 114.94 -106.61 -75.08 140.03 98.72 0.57 0.71 91.41 6.63 0.80 0.39 0.21 0.00 0.26 0.30 26 P C C 79.86 6.05 7.74 15.63 113.61 -108.36 -67.61 147.68 96.83 0.82 2.34 93.52 2.34 1.46 1.27 0.62 0.00 0.37 0.41 27 T C C 106.63 1.58 10.09 12.69 111.49 -132.28 -90.05 127.48 86.08 6.18 7.74 73.67 8.53 3.22 5.48 2.22 0.00 2.65 4.23 28 L C C 117.78 3.31 7.28 12.42 107.35 -159.84 -90.57 109.05 66.49 4.47 29.04 48.89 10.76 6.98 19.70 9.39 0.01 2.70 1.57 29 D C C 115.87 1.47 9.39 11.84 105.54 61.95 -86.76 63.60 68.05 2.70 29.26 50.35 9.23 8.23 20.63 9.01 0.00 1.73 0.82 30 K C C 142.80 2.34 9.15 12.94 104.60 64.30 -86.71 42.41 63.55 2.31 34.14 46.57 9.67 7.39 25.46 8.78 0.01 1.34 0.78 31 I C C 105.98 3.82 8.60 14.13 108.37 84.88 -86.17 101.23 59.16 1.38 39.47 45.10 8.66 5.41 34.67 4.95 0.00 0.72 0.48 32 Q C C 120.47 2.87 10.27 14.51 106.46 -134.91 -82.71 96.37 57.42 0.95 41.63 43.05 7.07 6.69 38.01 4.35 0.00 0.48 0.35 33 S C H 67.76 3.68 9.93 15.07 104.51 64.08 -82.78 12.35 52.52 0.80 46.67 38.37 6.51 7.53 41.96 4.92 0.00 0.40 0.31 34 R H H 151.47 2.60 10.60 14.41 97.23 75.99 -71.99 -30.65 37.07 0.69 62.23 23.60 5.97 8.29 54.95 6.56 0.01 0.36 0.26 35 S H H 65.58 2.52 11.19 14.75 95.91 58.87 -69.50 -37.06 35.57 0.80 63.63 22.17 5.35 8.98 55.73 7.03 0.01 0.43 0.29 36 F H H 126.72 2.74 10.30 14.32 95.07 55.05 -69.55 -37.04 30.07 0.84 69.10 17.44 5.59 8.44 60.61 7.14 0.02 0.45 0.31 37 R H H 149.29 2.21 10.78 14.06 94.46 55.45 -68.24 -35.84 29.74 0.99 69.27 18.18 5.33 7.74 61.98 5.86 0.02 0.54 0.35 38 E H H 127.59 1.82 11.03 13.57 95.11 55.44 -70.92 -31.77 31.36 1.10 67.54 18.71 5.53 8.57 60.11 6.07 0.02 0.62 0.38 39 S H H 76.46 2.14 10.19 13.41 97.52 57.05 -75.80 -23.60 35.86 1.23 62.91 20.22 6.57 10.48 55.60 5.98 0.03 0.67 0.46 40 S H H 77.19 2.43 9.11 12.95 100.65 63.43 -81.23 -6.06 42.41 1.41 56.18 24.44 7.71 11.69 49.14 5.70 0.03 0.74 0.55 41 Q H H 126.58 2.20 8.40 12.17 104.87 77.04 -83.81 16.90 45.12 2.00 52.88 26.30 9.39 11.01 45.58 5.90 0.04 1.07 0.72 42 S C H 83.06 2.01 7.77 11.31 106.91 79.36 -86.25 78.24 53.66 2.41 43.93 31.57 9.07 13.72 37.59 5.81 0.03 1.34 0.86 43 T C C 109.71 1.45 6.89 9.73 107.21 96.91 -89.29 61.70 62.37 3.94 33.69 35.49 10.98 16.31 27.80 5.71 0.05 2.33 1.33 44 R C C 179.37 1.33 6.77 9.54 109.12 115.56 -88.83 105.39 78.20 3.29 18.51 63.71 2.15 12.18 15.83 2.79 0.00 1.89 1.44 45 R C C 175.66 1.90 9.38 12.87 110.16 -147.33 -88.13 118.76 99.88 0.07 0.05 99.73 0.10 0.09 0.03 0.00 0.00 0.03 0.01