# 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 V C C 58.43 11.57 16.03 28.35 122.03 -165.89 -115.40 131.14 98.28 1.71 0.01 98.55 0.13 0.01 0.00 0.00 0.00 1.26 0.05 1 Y E E 115.21 8.22 16.62 25.90 121.80 -162.27 -111.27 133.36 46.92 52.95 0.13 46.53 0.74 0.15 0.07 0.06 0.00 48.85 3.62 2 F E E 61.31 14.20 12.49 27.34 120.85 -165.21 -111.82 133.86 45.28 54.53 0.19 41.61 2.54 0.30 0.09 0.12 0.00 50.46 4.88 3 D C C 63.08 6.23 17.92 25.33 110.96 -150.30 -98.66 115.07 65.35 34.43 0.22 63.55 1.68 0.25 0.07 0.13 0.00 31.95 2.37 4 L H G 61.53 14.49 11.47 26.24 93.74 -150.11 -65.90 -23.70 23.20 1.11 75.70 5.67 3.97 13.39 5.43 70.54 0.00 0.86 0.13 5 E H G 139.21 2.10 16.14 18.75 91.96 65.99 -69.11 -23.83 21.94 0.49 77.57 1.65 2.70 16.50 5.94 72.78 0.00 0.34 0.08 6 D H G 76.58 5.52 14.05 20.96 99.69 49.46 -97.96 5.75 19.68 0.60 79.71 5.17 3.45 10.76 6.34 73.78 0.00 0.40 0.11 7 L H G 47.34 16.72 9.58 25.38 95.98 107.95 -68.30 -25.71 47.26 1.58 51.16 14.70 7.78 25.34 12.48 37.97 0.03 0.81 0.90 8 G C T 50.09 4.16 16.21 21.35 95.66 65.44 -66.76 -25.20 60.67 0.92 38.41 6.72 7.47 44.99 8.54 31.14 0.02 0.54 0.58 9 N C T 114.20 2.52 16.21 19.14 102.21 47.61 -95.87 14.98 63.50 2.20 34.31 15.72 14.23 34.73 6.07 26.96 0.03 1.13 1.14 10 T C C 47.52 14.06 9.68 23.54 113.41 118.90 -88.29 129.65 84.14 9.06 6.80 52.19 25.19 6.15 3.18 3.48 0.01 3.66 6.15 11 T C C 89.05 4.77 16.46 22.19 105.53 -162.78 -88.88 24.06 80.68 9.48 9.84 43.20 19.51 18.86 3.01 6.35 0.03 5.27 3.77 12 G C C 37.43 9.50 14.33 24.22 110.17 15.50 53.73 87.43 78.48 9.52 11.99 31.12 25.47 23.80 2.76 8.21 0.05 5.74 2.86 13 Q C C 101.29 7.21 16.71 24.65 111.64 121.88 -92.80 121.90 73.89 13.95 12.16 47.41 15.79 11.06 3.42 8.72 0.02 9.55 4.03 14 W C C 103.90 12.33 13.83 26.46 111.85 -159.55 -99.01 100.04 64.63 23.50 11.87 42.16 13.85 8.41 4.85 7.17 0.11 14.54 8.91 15 D C C 66.53 8.40 16.23 25.57 115.98 140.61 -102.37 123.34 71.72 19.80 8.49 52.68 10.58 7.57 3.29 5.39 0.01 14.04 6.43 16 L C T 83.33 11.06 13.31 24.85 97.04 -159.13 -77.52 -10.00 78.12 11.42 10.46 24.85 21.95 32.91 2.69 6.88 0.07 7.16 3.48 17 Y C T 137.22 5.53 14.43 21.00 99.55 59.51 -88.18 3.39 82.76 9.73 7.51 18.74 24.13 40.64 1.80 5.22 0.05 5.81 3.61 18 G C S 47.97 4.83 12.81 19.15 101.91 -100.15 84.63 3.49 88.39 6.70 4.91 29.83 30.94 28.13 0.75 4.26 0.01 3.68 2.41 19 S C C 62.58 5.27 11.42 18.35 120.36 120.47 -98.83 151.54 88.99 6.78 4.23 35.65 28.67 25.03 0.66 3.78 0.00 3.60 2.61 20 D C C 123.49 1.82 12.47 15.32 101.10 -121.81 -87.14 6.33 89.98 6.34 3.68 37.25 31.24 21.67 0.53 3.49 0.00 3.37 2.45 21 A C S 57.61 5.44 10.80 18.14 119.37 116.08 -89.52 145.55 93.03 6.19 0.78 43.70 47.23 2.55 0.19 0.61 0.00 3.24 2.50 22 P C C 95.86 3.57 13.79 18.85 112.91 -100.38 -67.32 146.34 92.50 6.22 1.28 66.31 22.03 3.92 0.39 0.94 0.00 3.26 3.14 23 S C C 44.78 11.68 10.32 22.65 114.04 -113.84 -88.07 126.60 91.49 6.08 2.43 77.61 10.94 2.13 1.27 1.15 0.00 2.54 4.36 24 P C T 80.85 5.72 15.45 22.68 94.57 -145.42 -67.35 -22.22 84.34 3.27 12.39 22.08 22.10 41.04 5.76 5.80 0.03 1.69 1.52 25 Y C T 83.00 12.14 11.93 24.52 100.67 56.37 -93.55 4.38 76.99 3.28 19.73 23.59 17.45 37.13 11.72 6.63 0.07 1.37 2.03 26 N H H 83.00 7.41 14.02 22.68 95.57 100.72 -63.75 -36.78 41.10 1.36 57.54 18.75 7.42 15.86 41.46 15.07 0.05 0.71 0.68 27 S H H 80.75 1.80 17.28 18.46 93.04 53.39 -69.81 -28.50 35.60 0.98 63.41 10.97 5.98 18.65 47.51 15.80 0.10 0.57 0.43 28 L H H 57.10 10.54 14.71 26.15 95.20 53.13 -75.51 -26.89 22.79 1.07 76.14 11.46 3.95 8.26 60.07 15.21 0.05 0.63 0.38 29 Q H H 52.66 15.46 13.91 29.09 92.94 67.61 -61.94 -42.14 4.02 0.08 95.89 2.26 0.67 1.47 93.97 1.56 0.00 0.04 0.02 30 S H H 57.27 4.07 19.02 23.57 91.96 52.10 -64.41 -39.60 2.06 0.04 97.90 0.70 0.26 1.13 96.74 1.13 0.00 0.02 0.01 31 K H H 105.80 3.31 20.06 23.21 92.17 50.28 -65.48 -40.78 1.11 0.03 98.86 0.29 0.14 0.67 98.03 0.85 0.00 0.02 0.00 32 F H H 34.33 14.69 15.96 31.42 92.30 49.74 -64.95 -42.83 0.75 0.03 99.22 0.19 0.09 0.44 98.81 0.45 0.00 0.02 0.00 33 F H H 61.34 13.49 16.29 30.01 92.14 49.66 -64.40 -40.70 0.70 0.02 99.27 0.13 0.06 0.48 98.96 0.35 0.00 0.01 0.00 34 E H H 117.58 2.98 19.05 22.23 92.36 49.84 -66.54 -39.84 1.29 0.02 98.69 0.13 0.09 1.02 98.34 0.39 0.00 0.01 0.00 35 T H H 73.16 4.38 19.00 23.73 95.76 43.12 -73.92 -39.79 4.38 0.02 95.60 0.25 0.28 3.87 94.96 0.60 0.02 0.01 0.01 36 F H H 59.12 13.35 15.70 29.32 98.73 35.16 -84.08 -33.85 15.78 0.11 84.11 1.04 1.50 13.60 82.58 1.11 0.08 0.04 0.07 37 A C H 29.97 14.01 13.28 27.68 94.43 54.26 -78.20 -24.15 49.39 1.60 49.00 11.22 8.37 30.96 43.11 4.43 0.26 0.67 0.99 38 A C T 68.68 4.34 16.38 21.69 96.98 72.09 -69.82 -22.25 76.45 1.47 22.09 9.86 13.67 52.20 15.06 7.54 0.05 0.74 0.88 39 P C T 90.41 4.10 15.99 20.96 97.14 49.65 -83.08 -2.57 79.59 2.14 18.27 18.60 13.04 48.26 9.90 8.06 0.02 1.31 0.79 40 F C C 66.17 14.59 9.36 23.68 118.25 88.26 -95.96 137.55 79.14 12.51 8.35 60.01 15.48 3.14 6.45 2.43 0.01 5.56 6.93 41 T C C 73.05 3.27 17.22 20.71 120.32 -135.70 -86.28 163.28 83.91 8.98 7.11 73.03 8.77 1.77 7.07 0.95 0.00 4.03 4.38 42 K H H 123.31 6.86 13.42 21.75 93.26 -102.31 -60.22 -38.53 12.51 0.42 87.07 4.91 3.97 5.16 83.72 1.87 0.04 0.18 0.14 43 R H H 140.71 3.30 16.23 20.33 92.57 51.96 -65.35 -39.09 6.05 0.11 93.84 1.35 0.84 3.95 91.36 2.37 0.02 0.07 0.03 44 G H H 24.96 5.99 15.86 23.67 92.05 51.25 -64.63 -40.55 4.17 0.11 95.72 1.19 0.52 2.50 93.10 2.58 0.01 0.08 0.02 45 L H H 45.76 10.43 15.44 27.31 92.03 51.17 -64.57 -41.31 1.90 0.10 98.01 0.63 0.21 1.03 95.96 2.07 0.00 0.09 0.01 46 L H H 63.84 9.39 17.15 27.43 92.10 50.57 -64.33 -41.31 1.78 0.17 98.06 0.47 0.18 1.10 96.17 1.90 0.01 0.16 0.01 47 L H H 81.32 5.42 18.77 24.92 91.98 50.55 -64.96 -40.91 2.71 0.22 97.07 0.64 0.27 1.77 94.58 2.50 0.01 0.21 0.02 48 K H H 97.70 6.12 18.90 25.68 92.11 50.79 -65.21 -40.87 5.36 0.35 94.30 1.08 0.53 3.73 90.93 3.33 0.05 0.30 0.05 49 F H H 70.14 10.09 16.61 27.63 92.57 49.86 -66.08 -40.36 6.46 0.91 92.63 1.72 0.81 4.20 88.78 3.46 0.08 0.82 0.12 50 L H H 69.71 8.38 15.95 25.32 92.16 51.01 -65.41 -40.04 9.18 3.03 87.79 3.29 1.39 5.09 83.95 3.13 0.14 2.64 0.36 51 I H H 100.14 3.93 16.82 21.34 93.40 50.20 -67.12 -38.20 15.91 3.15 80.94 4.45 2.29 9.87 76.74 3.27 0.27 2.55 0.57 52 L H H 96.78 4.71 15.81 21.36 95.40 49.45 -73.72 -31.25 31.36 2.10 66.54 4.93 4.42 22.75 61.85 3.49 0.53 1.32 0.70 53 G C H 37.33 7.30 14.63 22.85 99.63 44.40 -80.41 -16.59 55.03 1.30 43.67 9.03 9.10 36.39 41.00 3.15 0.12 0.62 0.59 54 G C H 41.55 6.57 15.34 22.73 101.09 -87.70 50.78 -1.91 59.42 1.74 38.84 17.66 13.60 28.82 33.11 5.11 0.09 0.92 0.70 55 G H H 39.47 7.12 15.60 23.43 101.95 22.51 -31.21 -26.82 39.66 2.25 58.08 17.67 8.49 15.18 49.48 6.93 0.10 1.49 0.66 56 S H H 56.51 7.22 15.85 23.99 98.24 62.84 -73.07 -32.37 25.28 4.58 70.14 15.21 4.54 7.47 60.72 7.24 0.09 4.01 0.71 57 T H H 63.15 8.58 16.07 25.41 95.80 62.59 -68.72 -38.16 14.02 7.50 78.48 8.60 2.39 4.18 68.69 7.36 0.07 8.15 0.56 58 L H H 78.68 8.46 15.94 25.04 94.28 53.93 -67.22 -38.05 8.08 8.06 83.86 4.41 1.37 2.85 74.20 7.61 0.06 9.10 0.38 59 A H H 53.40 7.13 15.77 23.92 94.11 54.51 -66.86 -38.38 7.90 7.19 84.91 3.68 1.26 3.25 75.36 7.76 0.07 8.28 0.34 60 Y H H 120.12 6.71 16.08 23.65 94.02 52.10 -69.64 -37.17 11.18 6.75 82.07 4.33 1.78 5.52 73.13 7.30 0.19 7.24 0.52 61 F H H 106.86 7.56 14.86 23.37 96.56 52.20 -73.71 -31.54 21.23 5.80 72.97 7.83 3.72 10.84 65.77 5.46 0.33 5.10 0.95 62 S H H 57.88 7.58 13.93 22.42 100.58 58.11 -80.05 -13.45 43.24 5.89 50.87 18.72 7.46 18.50 45.69 3.98 0.17 3.98 1.49 63 A C T 67.99 5.90 13.45 20.57 101.35 69.39 -79.61 -13.19 63.27 5.02 31.70 19.75 13.08 30.53 26.88 5.01 0.16 3.02 1.58 64 T C T 95.85 3.59 14.20 18.96 104.85 53.86 -92.95 18.97 72.66 6.55 20.79 26.64 15.24 31.70 15.53 4.88 0.12 3.79 2.10 65 A C C 56.44 9.47 9.96 20.20 112.65 131.12 -88.61 131.89 83.39 8.39 8.23 51.99 22.81 8.66 5.03 3.32 0.02 4.72 3.45 66 S C C 79.76 3.45 13.35 18.17 110.71 -147.54 -90.70 113.54 85.13 7.31 7.56 59.02 14.38 11.72 2.42 5.17 0.00 4.50 2.77 67 G C T 47.20 5.32 13.53 20.10 112.18 -48.69 83.54 -24.17 84.96 5.09 9.95 26.05 29.45 30.51 1.47 8.00 0.01 3.18 1.33 68 D C C 90.64 6.91 13.47 21.47 106.92 -26.10 -88.98 77.52 81.43 9.25 9.31 39.01 20.58 22.79 1.38 7.98 0.01 6.59 1.64 69 I C C 90.54 8.09 14.82 24.00 117.88 107.39 -102.89 130.52 73.20 20.81 5.99 46.28 20.27 7.34 1.59 4.62 0.04 13.50 6.36 70 L C C 59.98 13.03 12.93 26.43 116.77 -147.25 -97.62 129.68 81.30 18.19 0.51 59.55 21.10 1.13 0.19 0.37 0.00 15.01 2.66 71 P C C 74.26 6.55 16.96 24.37 108.51 -124.87 -72.26 138.14 79.51 19.63 0.86 67.82 9.33 1.78 0.27 0.60 0.00 17.87 2.34 72 I C C 72.92 12.54 10.32 23.00 113.63 -151.06 -95.30 124.45 73.74 24.98 1.27 63.52 7.49 1.67 0.56 0.83 0.00 18.89 7.05 73 K C C 144.81 2.84 14.30 18.38 105.22 -169.48 -95.23 -18.78 75.99 22.88 1.12 60.14 12.89 2.46 0.45 0.81 0.00 17.92 5.33 74 K C C 147.20 2.39 13.28 16.82 119.99 4.26 -109.04 134.43 77.08 21.66 1.27 53.36 20.82 3.25 0.47 0.93 0.01 14.52 6.63 75 G C C 34.24 7.68 10.61 19.56 128.38 -128.04 -89.18 176.17 90.46 8.90 0.64 62.97 24.93 2.79 0.13 0.62 0.00 6.73 1.82 76 P C C 88.76 4.81 11.29 17.76 112.04 -57.85 -68.06 144.37 93.74 4.73 1.54 66.31 16.35 10.77 0.20 1.72 0.00 3.37 1.28 77 Q C C 133.64 2.94 10.13 15.00 112.34 -142.49 -90.97 131.02 92.51 6.15 1.33 70.10 16.88 4.97 0.27 1.22 0.00 2.65 3.91 78 L C C 119.33 2.62 9.86 14.32 117.78 -111.11 -87.72 142.34 97.34 2.57 0.09 71.77 25.68 0.32 0.03 0.06 0.00 1.10 1.05 79 P C C 102.27 2.28 11.35 15.08 115.89 -100.14 -66.30 150.25 99.37 0.56 0.06 94.13 5.06 0.26 0.02 0.04 0.00 0.28 0.22 80 P C C 89.66 6.33 8.25 16.28 113.65 -103.89 -65.79 147.36 98.29 1.28 0.43 94.03 3.42 0.95 0.11 0.28 0.00 0.66 0.55 81 Q C C 141.29 1.58 11.65 14.32 115.49 -122.66 -90.29 136.76 89.29 10.16 0.56 83.62 4.56 0.96 0.19 0.35 0.00 4.62 5.70 82 L C C 127.60 3.12 9.68 14.85 112.72 -113.53 -79.04 136.38 86.91 12.40 0.69 74.98 9.92 1.50 0.25 0.47 0.00 6.69 6.19 83 G C C 38.22 5.32 8.46 15.59 125.25 -129.53 -91.92 171.20 94.48 4.89 0.64 72.93 19.69 1.90 0.18 0.48 0.00 3.03 1.79 84 P C C 107.27 1.94 11.04 14.06 111.19 -72.19 -68.58 145.83 92.04 3.76 4.20 53.76 19.39 18.56 0.58 4.14 0.00 2.42 1.14 85 R C C 170.56 2.69 8.06 12.83 112.49 -113.32 -83.26 132.96 87.09 8.17 4.74 58.18 12.62 15.83 0.99 4.06 0.00 4.65 3.67 86 L C C 126.89 2.67 7.78 12.32 110.26 -144.65 -89.66 115.47 91.72 5.71 2.58 80.73 3.31 7.71 0.66 1.59 0.00 3.59 2.42 87 G C C 54.10 2.40 11.58 15.16 112.70 -22.75 92.19 -14.89 99.72 0.24 0.04 99.05 0.42 0.31 0.01 0.01 0.00 0.13 0.06