# 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 106.56 8.35 11.98 21.14 114.33 -167.67 -97.26 127.66 99.76 0.21 0.03 99.63 0.14 0.08 0.01 0.00 0.00 0.09 0.05 1 A C C 80.24 3.60 10.52 15.83 111.97 -150.54 -88.77 129.06 96.28 2.66 1.06 88.28 1.33 7.05 0.39 0.43 0.00 1.66 0.87 2 G C C 58.70 2.09 11.29 14.48 107.92 -63.65 15.84 31.59 96.33 2.77 0.90 57.95 23.39 15.05 0.22 0.75 0.00 1.60 1.03 3 L C C 79.33 9.44 6.91 16.89 116.67 -100.62 -90.78 137.62 96.13 3.53 0.34 67.65 28.05 0.56 0.15 0.16 0.00 1.28 2.15 4 P C C 77.32 3.12 12.09 16.51 113.63 -105.85 -65.61 147.56 98.26 1.00 0.73 96.86 1.28 0.41 0.19 0.35 0.00 0.42 0.49 5 A H G 85.41 3.25 9.62 14.85 95.55 -115.13 -62.00 -29.24 27.52 0.38 72.11 4.84 3.95 16.60 1.62 72.68 0.00 0.24 0.07 6 R H G 180.42 1.36 11.84 13.68 95.91 60.12 -77.57 -9.68 27.45 0.51 72.05 4.13 3.70 17.58 1.67 72.52 0.00 0.31 0.09 7 L H G 91.45 6.74 10.70 18.89 102.07 66.57 -89.70 14.93 30.93 1.10 67.98 14.38 6.34 8.00 1.78 68.64 0.00 0.65 0.21 8 R C C 128.21 7.21 12.92 21.59 115.51 133.03 -87.47 133.02 94.35 3.00 2.65 55.66 37.02 1.70 0.98 1.43 0.00 1.07 2.15 9 I C C 64.03 12.77 10.22 23.41 115.24 -119.51 -79.78 139.00 95.61 3.77 0.62 87.92 6.97 0.35 0.38 0.20 0.00 1.24 2.94 10 Q C C 98.70 3.81 16.32 20.90 114.95 -112.12 -73.04 148.45 99.29 0.31 0.40 98.35 0.94 0.12 0.30 0.03 0.00 0.09 0.17 11 P H H 82.53 6.88 12.69 21.02 93.08 -111.04 -59.23 -37.04 7.81 0.05 92.14 3.16 1.10 3.69 89.82 2.18 0.00 0.02 0.03 12 A H H 69.37 2.72 15.49 18.55 92.86 55.25 -65.94 -37.63 3.92 0.02 96.06 1.01 0.46 2.26 94.37 1.88 0.00 0.01 0.01 13 D H H 72.31 5.43 16.01 22.52 93.35 50.29 -67.83 -38.64 2.05 0.03 97.92 0.95 0.25 0.89 96.41 1.47 0.00 0.01 0.01 14 V H H 52.80 10.45 14.89 26.12 92.61 51.54 -65.28 -41.64 0.40 0.00 99.59 0.16 0.04 0.15 99.51 0.14 0.00 0.00 0.00 15 K H H 108.62 5.40 18.83 25.02 91.98 50.96 -64.36 -41.33 0.18 0.00 99.82 0.04 0.01 0.08 99.81 0.05 0.00 0.00 0.00 16 A H H 49.87 4.15 19.35 24.03 92.03 50.35 -64.26 -41.98 0.13 0.00 99.86 0.02 0.01 0.07 99.87 0.03 0.00 0.00 0.00 17 A H H 40.84 7.84 18.93 27.74 92.13 50.26 -64.81 -41.50 0.11 0.00 99.89 0.01 0.00 0.06 99.89 0.03 0.00 0.00 0.00 18 A H H 38.01 10.59 18.76 29.82 91.95 50.70 -64.31 -41.42 0.21 0.00 99.79 0.02 0.01 0.14 99.80 0.04 0.00 0.00 0.00 19 M H H 91.42 5.64 21.59 27.53 91.88 49.89 -64.57 -41.26 0.55 0.00 99.45 0.04 0.02 0.40 99.47 0.06 0.00 0.00 0.00 20 W H H 129.84 5.03 21.98 27.15 92.04 49.66 -65.11 -41.27 0.61 0.00 99.39 0.07 0.04 0.41 99.41 0.06 0.00 0.00 0.00 21 G H H 21.89 11.09 19.72 31.27 92.37 50.65 -64.90 -41.88 0.60 0.00 99.40 0.10 0.04 0.37 99.43 0.06 0.00 0.00 0.00 22 V H H 60.15 9.62 21.75 31.36 91.98 48.75 -65.01 -41.73 0.31 0.00 99.69 0.05 0.02 0.18 99.70 0.04 0.00 0.00 0.00 23 A H H 50.89 5.48 22.64 28.31 91.70 49.78 -64.54 -41.86 0.28 0.00 99.71 0.04 0.01 0.17 99.73 0.04 0.00 0.00 0.00 24 A H H 47.22 6.81 22.25 29.45 91.96 49.52 -65.16 -41.67 0.54 0.00 99.46 0.07 0.03 0.34 99.49 0.06 0.00 0.00 0.00 25 A H H 34.90 11.73 20.58 32.35 92.37 49.61 -65.40 -41.72 0.97 0.00 99.03 0.13 0.06 0.64 99.08 0.10 0.00 0.00 0.00 26 T H H 54.85 8.50 21.93 30.70 92.26 49.79 -64.75 -41.71 1.29 0.00 98.71 0.21 0.10 0.80 98.77 0.12 0.00 0.00 0.00 27 G H H 30.22 5.30 21.82 27.50 91.81 50.99 -64.21 -41.76 1.38 0.01 98.61 0.30 0.12 0.77 98.68 0.13 0.00 0.00 0.00 28 G H H 23.22 8.85 19.52 29.22 91.95 51.13 -64.72 -41.45 0.98 0.01 99.02 0.21 0.07 0.54 99.00 0.17 0.00 0.00 0.00 29 L H H 57.31 10.79 18.75 29.79 92.02 50.49 -65.01 -41.42 0.73 0.01 99.26 0.18 0.06 0.39 99.13 0.22 0.00 0.01 0.00 30 Y H H 109.74 5.57 19.50 25.69 91.92 50.49 -65.13 -41.32 1.07 0.03 98.91 0.24 0.09 0.63 98.67 0.35 0.00 0.02 0.00 31 L H H 83.91 4.58 18.59 23.45 92.31 49.32 -65.54 -41.20 2.40 0.04 97.56 0.44 0.22 1.58 97.18 0.54 0.00 0.03 0.01 32 V H H 54.58 8.82 15.90 25.54 92.57 48.47 -67.38 -39.93 7.45 0.19 92.36 1.72 1.00 4.77 91.44 0.88 0.02 0.10 0.06 33 Q H H 78.38 8.47 14.85 24.25 93.21 51.69 -67.79 -36.40 24.03 0.59 75.38 9.37 3.67 11.29 73.22 1.89 0.03 0.29 0.23 34 V H H 86.26 3.60 15.27 19.62 94.51 49.62 -72.09 -32.86 41.08 0.76 58.16 20.31 5.17 15.93 55.00 2.90 0.02 0.36 0.32 35 S C C 63.91 4.54 14.25 19.73 97.23 52.01 -77.68 -24.45 62.25 0.83 36.92 43.22 5.03 12.81 34.94 3.27 0.00 0.40 0.34 36 I C C 86.67 7.71 11.96 20.60 100.52 66.71 -85.25 -14.33 69.25 1.51 29.24 52.73 5.21 10.55 26.00 4.08 0.00 0.86 0.57 37 L C C 102.61 4.78 13.24 19.39 101.72 60.00 -83.05 -15.46 75.43 3.07 21.50 54.55 7.36 12.19 18.74 4.17 0.01 1.98 1.01 38 V C C 91.98 4.81 13.54 19.47 106.75 58.37 -91.43 52.54 76.29 5.88 17.83 52.41 10.91 11.94 15.00 3.94 0.02 3.55 2.23 39 L C C 73.61 9.12 11.83 22.19 115.99 88.25 -92.18 133.49 85.57 2.74 11.69 62.77 18.35 3.36 11.73 1.38 0.00 1.52 0.89 40 P C C 67.44 6.22 14.79 22.37 112.39 -107.36 -68.20 149.44 73.59 1.28 25.13 60.01 5.53 5.73 25.64 1.99 0.00 0.77 0.32 41 P C C 66.54 7.97 14.66 23.76 106.15 -99.03 -67.47 136.13 58.11 2.27 39.62 44.71 5.19 6.92 38.61 2.59 0.00 1.37 0.61 42 V H H 63.53 10.74 13.81 25.11 99.66 -127.79 -71.27 -34.09 27.30 2.74 69.96 21.72 3.30 3.69 66.28 2.56 0.01 1.95 0.49 43 K H H 111.80 5.75 16.59 23.24 95.24 60.62 -67.41 -37.26 10.78 3.11 86.11 7.82 1.40 2.35 82.44 2.58 0.01 3.14 0.26 44 V H H 67.96 6.19 17.38 24.51 93.93 52.79 -67.09 -39.57 6.05 3.29 90.66 3.88 0.81 1.71 87.44 2.28 0.01 3.70 0.17 45 V H H 46.73 10.90 16.78 28.35 93.03 51.27 -65.46 -41.62 4.12 2.58 93.30 2.38 0.53 1.30 90.91 1.78 0.01 2.98 0.11 46 F H H 65.46 11.81 16.88 29.17 92.60 50.84 -64.40 -41.13 3.90 2.46 93.65 1.98 0.50 1.46 91.59 1.60 0.01 2.75 0.11 47 H H H 87.29 6.96 18.69 26.37 92.32 51.59 -64.84 -40.65 4.02 2.39 93.59 1.79 0.53 1.79 91.31 1.81 0.02 2.64 0.12 48 F H H 84.37 7.63 18.61 27.06 92.49 50.33 -65.50 -41.27 4.25 1.88 93.88 1.67 0.56 2.08 91.34 2.15 0.03 2.06 0.12 49 Y H H 64.80 12.77 17.09 30.12 92.91 49.00 -67.32 -40.11 6.60 1.47 91.93 2.46 0.91 3.45 88.93 2.55 0.04 1.49 0.16 50 L H H 60.86 10.71 17.05 28.27 93.13 49.69 -69.26 -37.92 13.51 1.74 84.74 4.51 1.95 7.60 81.36 2.70 0.09 1.45 0.34 51 V H H 74.94 5.74 17.98 24.40 95.25 49.10 -72.69 -35.31 25.20 1.94 72.85 8.55 4.33 13.63 68.81 2.69 0.13 1.30 0.56 52 S H H 49.05 7.99 16.34 25.29 95.68 52.54 -74.38 -27.22 42.88 1.72 55.40 13.05 8.10 22.67 51.47 3.01 0.14 0.93 0.63 53 G C H 32.10 10.59 15.75 26.62 97.99 51.85 -66.92 -25.59 58.67 2.51 38.83 20.34 12.77 26.60 32.73 5.17 0.11 1.45 0.84 54 F C C 92.02 10.36 14.64 25.52 104.42 65.46 -86.65 2.47 56.69 5.78 37.53 29.98 12.69 15.13 29.80 6.96 0.12 3.82 1.49 55 R C C 134.97 5.73 17.12 23.83 106.90 56.52 -84.77 80.92 53.59 10.36 36.05 34.60 9.56 9.80 28.41 7.62 0.09 7.91 2.02 56 I C C 69.42 11.28 14.55 26.39 111.65 55.44 -94.66 119.32 49.96 13.68 36.37 30.40 8.67 11.54 27.36 8.71 0.15 10.65 2.52 57 C C C 58.37 10.53 14.70 25.82 109.56 53.40 -95.22 100.01 58.20 10.97 30.83 33.95 10.28 14.38 22.59 8.15 0.14 7.94 2.56 58 L C C 80.26 9.08 14.12 24.17 106.18 110.75 -90.26 35.67 67.51 8.32 24.18 36.06 19.45 12.57 17.92 6.31 0.16 5.15 2.40 59 D C C 77.66 5.27 16.52 22.63 108.87 13.83 -88.50 112.86 77.10 4.08 18.82 54.43 11.66 10.31 14.90 4.73 0.01 2.53 1.42 60 V H H 59.05 13.06 10.96 24.18 97.37 -161.25 -72.00 -23.63 42.97 2.12 54.91 22.87 7.73 13.25 38.10 15.92 0.07 1.20 0.86 61 K H H 134.74 2.61 15.73 19.01 94.00 68.22 -67.55 -33.50 35.31 1.40 63.28 10.58 6.37 17.54 42.87 21.09 0.17 0.83 0.55 62 D H H 73.54 4.50 15.27 20.82 96.12 53.26 -73.58 -26.35 28.85 1.50 69.65 11.21 4.97 11.94 44.98 25.43 0.08 0.91 0.49 63 L H H 46.33 15.35 10.56 25.48 93.77 64.90 -68.57 -30.97 22.61 1.22 76.17 8.70 3.77 9.36 45.38 31.63 0.06 0.73 0.38 64 R H H 135.08 6.71 14.16 22.05 93.70 63.21 -74.19 -19.91 37.77 1.57 60.66 9.09 5.98 20.76 35.45 26.93 0.21 0.91 0.67 65 T C T 100.36 2.07 16.02 18.09 98.16 53.86 -91.56 -5.30 55.40 2.12 42.48 13.39 10.65 31.24 21.09 21.19 0.16 1.18 1.11 66 M C S 70.30 10.97 9.76 21.74 116.85 109.40 -82.25 139.67 97.45 1.79 0.76 40.06 56.66 1.09 0.46 0.23 0.00 0.80 0.68 67 P C C 90.23 3.92 14.97 20.07 110.31 -107.02 -67.82 141.08 87.42 8.06 4.52 71.33 8.90 6.27 1.88 2.72 0.00 4.39 4.50 68 C C C 63.40 11.77 9.84 21.69 113.87 -148.29 -98.10 130.35 84.78 8.73 6.48 48.47 21.18 15.46 1.97 4.42 0.01 4.56 3.94 69 S C C 78.57 3.42 15.75 20.11 110.48 -149.88 -96.01 111.42 87.63 6.27 6.10 51.15 26.08 10.61 2.32 3.70 0.01 3.32 2.81 70 A C C 50.77 10.42 11.50 22.68 115.35 -147.99 -82.50 141.19 88.19 2.03 9.78 63.64 21.12 3.47 7.46 2.45 0.00 1.02 0.84 71 P C C 65.89 8.38 12.66 22.35 109.25 -106.97 -68.15 148.99 73.29 1.57 25.14 56.38 7.81 8.65 19.14 6.53 0.00 1.00 0.50 72 R C C 148.74 4.45 14.76 20.52 107.52 -122.34 -80.40 113.14 59.28 6.32 34.40 44.08 7.52 7.56 25.96 8.75 0.02 4.90 1.21 73 I H H 75.10 10.28 12.14 23.15 110.65 -144.75 -90.28 117.10 42.76 13.94 43.29 32.59 5.26 5.19 32.63 10.29 0.03 12.42 1.59 74 W H H 107.90 10.27 11.90 22.92 110.82 -153.12 -92.20 118.33 38.62 15.97 45.42 28.86 4.77 5.05 34.26 10.81 0.04 14.83 1.39 75 R H H 135.02 5.49 14.30 21.04 110.55 -149.40 -93.85 110.05 37.48 16.76 45.76 26.94 4.81 5.61 34.61 10.76 0.05 15.90 1.34 76 L H H 84.15 8.38 11.43 20.86 109.91 -150.34 -85.87 117.59 34.67 14.07 51.27 22.62 5.38 6.82 36.70 13.97 0.05 13.39 1.08 77 Y H H 130.05 6.24 12.15 19.64 106.05 65.90 -89.49 37.19 34.53 15.26 50.22 20.91 5.73 7.98 33.07 16.77 0.08 14.25 1.20 78 I H H 93.01 7.32 9.85 18.44 108.00 80.33 -88.84 89.49 40.20 16.01 43.79 23.86 5.99 10.33 28.13 15.60 0.11 14.33 1.65 79 L C C 108.08 4.60 10.70 16.89 108.32 -149.59 -88.16 98.27 57.05 7.59 35.36 41.84 2.26 13.25 25.43 9.21 0.02 6.19 1.80 80 I C C 97.31 7.57 11.34 20.04 108.63 -155.23 -91.65 94.99 99.51 0.25 0.23 99.19 0.17 0.26 0.18 0.02 0.00 0.16 0.03