# 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 103.48 7.26 11.74 20.33 116.34 -162.77 -100.60 132.26 99.93 0.06 0.01 99.84 0.08 0.04 0.00 0.00 0.00 0.02 0.01 1 S C C 71.39 4.54 10.20 16.44 112.91 -148.70 -93.12 126.87 92.37 2.41 5.23 86.11 1.32 5.79 1.48 2.86 0.00 1.25 1.18 2 F C C 149.12 3.58 9.02 14.25 100.87 -164.79 -85.81 1.12 86.64 4.11 9.25 50.97 15.99 19.59 1.97 7.29 0.00 2.06 2.13 3 L C C 120.33 2.86 8.85 13.33 105.91 82.77 -84.68 47.73 85.55 3.85 10.60 34.67 17.98 33.48 1.91 8.29 0.01 1.90 1.76 4 G C C 55.71 2.41 9.89 13.71 105.71 -21.76 79.43 4.39 88.88 3.00 8.13 44.13 16.76 28.27 1.67 6.27 0.00 1.48 1.42 5 F C C 147.35 3.08 8.58 13.36 105.94 105.37 -88.46 46.53 89.83 3.77 6.40 54.00 17.63 18.17 1.66 4.68 0.00 1.76 2.09 6 G C C 55.48 2.36 9.74 13.63 110.21 12.08 76.57 132.51 92.91 2.59 4.50 45.23 23.34 24.38 0.93 3.59 0.00 1.20 1.34 7 G C C 59.50 1.76 10.12 13.07 109.03 -5.93 -70.63 36.33 94.83 1.86 3.32 42.37 29.62 22.74 0.59 2.88 0.00 0.86 0.95 8 G C C 55.22 2.22 10.16 13.72 115.55 28.22 -87.04 173.63 95.57 2.02 2.42 51.56 32.14 11.81 0.56 1.87 0.00 0.87 1.19 9 Q C C 130.75 2.47 10.08 14.20 115.03 -63.92 -87.23 135.82 95.37 1.60 3.02 74.18 18.85 2.27 1.72 1.22 0.00 0.65 1.10 10 P C C 89.88 4.65 9.34 15.80 109.65 -108.48 -69.07 142.48 85.11 1.48 13.42 68.86 7.60 8.85 6.98 6.11 0.00 0.76 0.85 11 Q C C 129.48 2.72 10.77 15.06 109.38 -117.64 -83.14 111.82 78.91 1.83 19.26 59.39 9.91 9.76 11.48 7.50 0.00 0.89 1.06 12 L C C 106.04 4.75 10.07 16.49 106.15 -123.96 -82.27 88.34 72.39 2.15 25.46 53.75 10.57 8.12 18.75 6.64 0.00 1.03 1.14 13 S C C 63.84 5.20 10.92 17.61 108.88 66.80 -87.35 129.28 75.12 1.18 23.70 57.89 10.00 6.49 20.76 3.70 0.00 0.50 0.64 14 S C C 61.10 3.91 12.27 17.45 106.74 -124.74 -81.20 56.99 60.19 0.63 39.17 44.56 9.65 4.75 38.59 1.92 0.00 0.21 0.32 15 Q H H 114.87 3.83 11.70 17.06 94.11 22.95 -63.41 -36.50 11.77 0.08 88.15 6.53 2.06 3.34 86.90 1.12 0.00 0.03 0.04 16 Q H H 120.44 1.59 14.21 15.69 92.80 52.70 -65.52 -39.54 5.54 0.05 94.41 2.92 0.81 1.89 93.46 0.89 0.00 0.02 0.02 17 K H H 114.66 3.04 14.61 18.48 92.81 50.37 -66.74 -39.63 3.25 0.05 96.70 2.04 0.40 0.99 95.79 0.74 0.00 0.03 0.01 18 I H H 66.01 7.25 12.98 21.90 92.43 50.51 -64.92 -41.59 1.47 0.02 98.51 0.84 0.16 0.48 98.17 0.34 0.00 0.01 0.00 19 Q H H 98.80 2.93 16.82 20.09 92.15 50.87 -64.27 -41.24 0.97 0.01 99.02 0.48 0.09 0.35 98.89 0.18 0.00 0.00 0.00 20 A H H 57.46 2.34 17.43 19.47 92.00 50.68 -64.64 -41.21 0.84 0.00 99.16 0.32 0.07 0.35 99.10 0.14 0.00 0.00 0.00 21 A H H 40.67 5.90 15.48 23.04 92.13 50.79 -64.63 -40.88 0.74 0.00 99.25 0.24 0.06 0.33 99.26 0.11 0.00 0.00 0.00 22 E H H 91.16 5.50 16.76 23.23 92.01 50.67 -64.45 -41.16 0.58 0.00 99.42 0.17 0.04 0.26 99.43 0.09 0.00 0.00 0.00 23 A H H 57.20 2.48 17.84 20.01 91.84 51.09 -64.20 -41.22 0.59 0.00 99.41 0.16 0.04 0.28 99.42 0.09 0.00 0.00 0.00 24 E H H 102.05 3.10 17.52 20.81 92.05 50.11 -65.24 -40.70 0.69 0.00 99.31 0.14 0.04 0.36 99.34 0.11 0.00 0.00 0.00 25 L H H 70.65 7.04 15.59 23.75 92.02 50.37 -64.54 -40.60 0.61 0.00 99.39 0.15 0.04 0.30 99.40 0.10 0.00 0.00 0.00 26 D H H 82.33 3.43 17.39 21.34 91.83 51.18 -64.18 -40.56 0.59 0.00 99.41 0.15 0.04 0.29 99.44 0.09 0.00 0.00 0.00 27 L H H 92.57 2.36 17.68 19.71 92.14 50.36 -64.74 -41.38 0.63 0.00 99.37 0.13 0.04 0.34 99.38 0.11 0.00 0.00 0.00 28 V H H 68.29 5.31 16.73 22.88 92.17 49.62 -64.85 -41.80 0.50 0.00 99.50 0.11 0.03 0.26 99.49 0.10 0.00 0.00 0.00 29 T H H 57.14 6.21 16.11 23.55 91.95 50.06 -64.52 -41.15 0.40 0.00 99.59 0.09 0.03 0.21 99.59 0.09 0.00 0.00 0.00 30 D H H 81.97 2.54 18.30 20.49 92.02 50.54 -64.67 -40.83 0.41 0.00 99.59 0.06 0.02 0.24 99.58 0.10 0.00 0.00 0.00 31 M H H 91.23 3.68 17.78 21.81 92.14 49.97 -64.70 -41.72 0.41 0.00 99.58 0.05 0.02 0.27 99.55 0.11 0.00 0.00 0.00 32 F H H 82.09 8.70 16.28 25.96 92.00 50.07 -64.64 -41.16 0.38 0.00 99.62 0.04 0.02 0.25 99.60 0.09 0.00 0.00 0.00 33 N H H 78.95 5.00 17.82 23.59 91.88 50.88 -64.37 -40.28 0.42 0.00 99.58 0.05 0.02 0.26 99.59 0.08 0.00 0.00 0.00 34 K H H 120.59 2.07 19.83 21.03 91.98 50.27 -65.17 -40.96 0.34 0.00 99.66 0.03 0.02 0.23 99.65 0.08 0.00 0.00 0.00 35 L H H 61.38 7.77 17.78 26.68 92.08 49.53 -64.97 -41.76 0.31 0.00 99.69 0.03 0.02 0.20 99.68 0.08 0.00 0.00 0.00 36 V H H 44.80 11.42 16.98 29.31 91.95 50.01 -63.80 -42.05 0.44 0.00 99.56 0.05 0.02 0.26 99.58 0.08 0.00 0.00 0.00 37 N H H 84.48 3.28 20.87 23.93 91.80 50.10 -64.31 -41.01 0.90 0.00 99.10 0.08 0.04 0.61 99.14 0.13 0.00 0.00 0.00 38 N H H 76.14 3.35 20.66 23.72 92.02 50.20 -65.08 -41.17 1.22 0.00 98.77 0.12 0.08 0.87 98.64 0.29 0.00 0.00 0.00 39 C H H 23.48 13.04 15.66 29.91 92.37 50.57 -64.46 -41.55 1.22 0.00 98.78 0.13 0.08 0.88 98.22 0.69 0.00 0.00 0.00 40 Y H H 88.64 10.94 16.99 28.44 91.88 51.77 -64.23 -39.89 1.26 0.00 98.73 0.10 0.08 0.98 97.34 1.49 0.00 0.00 0.00 41 K H H 135.85 2.01 20.11 21.60 92.18 51.47 -66.04 -36.88 2.87 0.00 97.12 0.13 0.15 2.55 94.47 2.68 0.00 0.00 0.00 42 K H H 108.26 5.33 17.87 23.84 94.54 47.29 -74.34 -31.24 11.06 0.01 88.93 0.29 0.48 10.67 85.99 2.54 0.02 0.00 0.01 43 C H H 34.43 14.16 13.02 27.43 100.15 41.73 -94.17 -17.35 34.82 0.23 64.95 2.46 3.99 28.53 62.11 2.50 0.15 0.07 0.18 44 I C S 76.72 9.57 13.35 23.84 105.32 60.27 -94.27 7.51 76.88 3.02 20.10 20.81 37.70 17.65 17.83 2.64 0.08 0.88 2.41 45 N C C 97.74 3.93 14.03 19.00 111.98 95.38 -86.82 111.54 88.32 1.30 10.39 48.32 21.35 18.77 5.20 4.92 0.00 0.54 0.90 46 T C T 100.09 3.90 11.88 17.46 99.70 -134.96 -80.11 -6.65 84.75 0.90 14.35 26.23 27.89 31.38 4.88 8.56 0.00 0.37 0.67 47 S C C 76.85 2.94 12.64 16.67 104.91 84.39 -87.51 33.31 85.32 1.21 13.46 42.17 16.79 26.69 4.28 8.72 0.00 0.54 0.81 48 Y C C 102.55 10.56 8.26 19.12 105.05 122.71 -85.96 49.66 83.18 1.87 14.95 46.86 17.72 18.75 5.47 9.03 0.00 0.79 1.36 49 S C C 83.63 2.74 11.35 15.48 103.03 83.60 -87.49 23.41 86.43 1.64 11.93 43.66 20.79 22.34 4.15 7.23 0.00 0.68 1.13 50 E C C 131.14 2.90 10.55 14.95 105.30 96.16 -86.62 39.85 82.40 1.67 15.93 30.02 27.79 25.48 4.99 9.73 0.01 0.64 1.34 51 G C T 57.51 2.04 12.25 15.23 103.86 -67.55 77.39 -18.28 87.73 0.58 11.69 17.86 33.09 37.45 2.33 8.56 0.00 0.25 0.45 52 E C C 134.21 2.24 13.21 16.49 116.89 63.12 -101.51 135.04 85.69 2.03 12.28 37.83 24.73 23.66 3.21 8.38 0.00 0.85 1.34 53 L C C 59.69 14.81 7.64 21.60 114.91 -120.71 -84.55 132.71 91.81 3.19 5.00 68.57 20.05 2.72 3.33 1.49 0.00 0.88 2.96 54 N C C 78.78 3.56 15.09 19.54 121.66 -140.52 -85.48 167.23 96.12 0.73 3.15 91.84 3.47 0.83 2.82 0.31 0.00 0.20 0.54 55 K H H 159.70 1.42 14.35 16.09 91.95 -96.32 -59.45 -37.36 3.53 0.01 96.46 0.51 0.56 2.22 95.92 0.77 0.00 0.00 0.00 56 N H H 96.64 3.18 16.34 20.17 92.06 51.71 -65.26 -39.77 2.81 0.00 97.18 0.32 0.27 2.04 96.38 0.98 0.00 0.00 0.00 57 E H H 42.95 14.05 13.90 28.48 92.09 49.33 -65.78 -40.24 1.35 0.00 98.64 0.27 0.13 0.81 97.89 0.90 0.00 0.00 0.00 58 S H H 42.99 6.89 17.39 25.70 91.74 52.16 -63.81 -41.02 0.90 0.00 99.10 0.21 0.09 0.46 98.94 0.29 0.00 0.00 0.00 59 S H H 57.04 2.45 21.57 22.81 91.79 50.35 -64.07 -41.95 0.98 0.00 99.02 0.12 0.06 0.63 99.06 0.13 0.00 0.00 0.00 60 C H H 31.47 10.37 18.04 29.78 91.86 50.56 -64.10 -42.66 0.70 0.00 99.30 0.06 0.04 0.48 99.33 0.09 0.00 0.00 0.00 61 L H H 41.71 14.17 17.57 32.02 91.71 50.10 -63.66 -41.92 0.30 0.00 99.70 0.04 0.02 0.17 99.73 0.04 0.00 0.00 0.00 62 D H H 85.77 3.01 22.51 24.92 91.61 50.49 -64.30 -41.44 0.12 0.00 99.88 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 63 R H H 125.37 3.43 21.87 24.94 91.82 49.42 -65.02 -41.24 0.13 0.00 99.87 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 64 C H H 23.79 14.14 16.72 31.69 91.75 50.25 -64.34 -42.32 0.21 0.00 99.79 0.01 0.01 0.15 99.81 0.02 0.00 0.00 0.00 65 V H H 59.85 7.26 19.84 28.01 91.53 50.04 -63.52 -42.08 0.16 0.00 99.84 0.01 0.01 0.10 99.87 0.02 0.00 0.00 0.00 66 A H H 55.48 2.54 21.49 23.01 91.48 50.53 -63.45 -41.71 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 67 K H H 79.19 7.90 19.04 27.66 91.82 50.21 -64.62 -41.32 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 68 Y H H 75.25 12.25 16.96 29.56 91.71 50.64 -63.43 -42.11 0.10 0.00 99.90 0.00 0.00 0.06 99.91 0.02 0.00 0.00 0.00 69 F H H 116.41 2.75 20.49 22.66 91.77 49.37 -64.32 -41.45 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 70 E H H 103.66 2.72 20.31 22.39 91.78 49.75 -64.62 -41.55 0.18 0.00 99.82 0.01 0.01 0.12 99.84 0.03 0.00 0.00 0.00 71 T H H 35.81 10.95 16.07 28.23 91.89 50.31 -64.85 -41.76 0.27 0.00 99.73 0.02 0.01 0.19 99.74 0.04 0.00 0.00 0.00 72 N H H 73.68 7.01 18.10 26.07 91.67 51.28 -64.04 -40.97 0.42 0.00 99.58 0.04 0.02 0.26 99.62 0.06 0.00 0.00 0.00 73 V H H 87.44 2.03 20.32 21.04 92.01 49.48 -65.14 -41.55 0.64 0.00 99.36 0.07 0.03 0.41 99.42 0.07 0.00 0.00 0.00 74 Q H H 83.78 4.91 18.85 24.17 92.12 49.32 -65.19 -41.85 0.78 0.00 99.22 0.12 0.05 0.47 99.28 0.09 0.00 0.00 0.00 75 V H H 47.91 9.49 15.95 26.60 91.82 49.58 -64.16 -42.11 0.56 0.00 99.43 0.09 0.04 0.31 99.45 0.10 0.00 0.00 0.00 76 G H H 33.48 3.62 17.72 22.04 91.55 50.91 -62.99 -41.70 0.69 0.00 99.31 0.12 0.04 0.38 99.35 0.12 0.00 0.00 0.00 77 E H H 102.12 2.12 18.69 19.95 91.96 49.96 -64.83 -41.23 0.68 0.00 99.32 0.09 0.04 0.40 99.35 0.12 0.00 0.00 0.00 78 N H H 71.72 5.41 16.69 22.89 92.11 49.72 -65.03 -41.41 0.80 0.00 99.20 0.13 0.06 0.46 99.21 0.14 0.00 0.00 0.00 79 M H H 86.47 5.64 15.45 22.02 92.10 50.14 -64.84 -40.19 1.03 0.00 98.97 0.20 0.08 0.59 98.92 0.21 0.00 0.00 0.00 80 Q H H 107.28 2.05 16.50 18.33 92.00 50.87 -64.59 -40.59 1.58 0.00 98.42 0.32 0.13 0.93 98.30 0.32 0.00 0.00 0.00 81 K H H 123.84 1.84 16.88 18.10 92.31 49.81 -65.44 -40.98 2.87 0.01 97.12 0.51 0.25 1.84 96.87 0.52 0.00 0.00 0.00 82 M H H 88.01 4.57 14.90 20.34 92.49 49.15 -65.80 -40.49 3.67 0.01 96.32 0.65 0.36 2.30 95.98 0.69 0.00 0.00 0.00 83 G H H 33.18 4.34 13.94 19.80 92.51 51.82 -64.12 -39.80 7.00 0.02 92.98 1.42 0.75 4.40 92.18 1.23 0.01 0.01 0.01 84 Q H H 114.01 1.72 15.09 16.52 92.85 51.19 -66.42 -38.82 10.83 0.05 89.12 2.32 1.32 6.96 86.72 2.61 0.02 0.02 0.03 85 S H H 67.75 2.30 13.99 16.55 93.79 52.05 -68.66 -36.06 16.58 0.10 83.32 3.89 2.16 10.52 79.85 3.46 0.02 0.04 0.05 86 F H H 118.93 3.77 11.61 16.49 95.79 52.14 -72.54 -30.66 22.82 0.22 76.95 7.26 4.18 12.43 71.51 4.36 0.04 0.09 0.14 87 N H H 104.89 2.46 11.06 14.65 97.17 57.12 -73.28 -27.53 32.61 0.43 66.97 13.01 5.98 15.26 60.46 4.82 0.03 0.18 0.25 88 A H H 84.95 1.53 9.97 12.25 97.25 54.57 -73.15 -20.57 43.45 0.58 55.96 13.92 7.87 23.37 46.76 7.37 0.06 0.26 0.37 89 A C T 86.96 1.49 9.06 11.50 99.43 56.27 -81.95 -3.47 61.14 0.64 38.22 12.31 10.51 38.59 29.46 8.35 0.05 0.27 0.46 90 G C T 58.58 1.74 8.89 11.95 104.40 -32.09 58.52 9.96 77.97 1.17 20.86 25.62 13.97 39.40 12.82 6.96 0.01 0.53 0.68 91 K C C 154.20 1.74 8.21 11.43 108.48 121.83 -87.99 111.48 91.45 1.73 6.82 77.99 2.74 11.73 3.30 2.37 0.00 0.98 0.90 92 F C C 147.11 3.56 9.67 15.05 111.69 -150.01 -92.22 120.06 99.87 0.11 0.01 99.82 0.09 0.03 0.00 0.00 0.00 0.05 0.01