# 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 A C C 47.55 9.93 14.76 25.45 115.08 134.15 -84.78 152.59 99.92 0.03 0.05 99.83 0.07 0.05 0.03 0.00 0.00 0.01 0.00 1 D C C 86.07 4.19 17.70 22.21 105.76 -108.70 -80.71 107.70 74.56 0.64 24.80 70.49 0.66 3.11 24.51 0.70 0.00 0.19 0.35 2 L H H 41.93 17.34 11.29 27.99 94.20 -160.04 -65.55 -33.26 14.23 0.08 85.69 7.23 2.11 4.74 84.37 1.48 0.00 0.03 0.04 3 E H H 109.80 4.95 16.72 22.86 91.80 56.65 -63.51 -40.44 5.25 0.02 94.72 1.89 0.75 2.46 93.23 1.64 0.00 0.01 0.01 4 H H H 109.89 2.38 19.57 21.26 92.19 49.89 -65.69 -40.25 3.39 0.02 96.59 1.30 0.45 1.58 94.97 1.67 0.00 0.01 0.01 5 N H H 30.03 14.83 16.15 31.50 92.27 50.80 -65.31 -40.88 3.25 0.02 96.73 1.28 0.40 1.53 95.87 0.90 0.00 0.01 0.01 6 M H H 42.38 15.13 17.56 32.82 91.87 51.05 -64.59 -40.60 1.87 0.01 98.12 0.64 0.22 0.83 97.99 0.31 0.00 0.00 0.00 7 H H H 111.05 2.65 23.38 25.10 91.63 50.96 -64.13 -41.35 1.61 0.01 98.38 0.50 0.16 0.78 98.31 0.24 0.00 0.00 0.00 8 T H H 47.78 7.97 21.41 30.19 91.97 49.52 -64.94 -41.87 1.62 0.01 98.37 0.42 0.15 0.85 98.33 0.23 0.00 0.00 0.00 9 L H H 14.66 21.23 17.37 38.46 91.63 50.34 -63.59 -42.08 1.09 0.00 98.91 0.27 0.11 0.54 98.92 0.17 0.00 0.00 0.00 10 N H H 68.27 8.82 22.43 31.50 91.50 51.40 -63.49 -41.32 0.87 0.00 99.12 0.19 0.06 0.47 99.14 0.14 0.00 0.00 0.00 11 D H H 78.00 2.94 24.77 26.72 91.73 49.87 -64.87 -40.69 0.71 0.00 99.29 0.11 0.05 0.43 99.26 0.15 0.00 0.00 0.00 12 N H H 21.40 17.34 19.37 36.66 91.95 50.60 -64.87 -41.25 0.88 0.00 99.11 0.13 0.05 0.56 99.04 0.22 0.00 0.00 0.00 13 L H H 28.02 18.17 19.08 36.83 91.56 51.98 -63.96 -40.55 0.82 0.00 99.18 0.11 0.05 0.54 98.96 0.34 0.00 0.00 0.00 14 K H H 116.79 2.63 24.70 26.43 91.54 52.32 -63.85 -41.14 1.86 0.00 98.14 0.21 0.12 1.39 97.54 0.74 0.00 0.00 0.00 15 H H H 63.29 8.56 20.98 30.41 92.00 49.85 -65.07 -41.07 4.34 0.02 95.64 0.60 0.35 3.22 93.73 2.08 0.01 0.01 0.01 16 I H H 8.65 23.71 13.83 37.48 91.55 52.49 -64.73 -38.58 5.55 0.04 94.41 1.10 0.60 3.60 87.87 6.78 0.01 0.02 0.01 17 E H H 108.08 8.21 19.57 28.52 91.25 54.95 -67.02 -27.90 20.86 0.06 79.08 2.66 1.49 16.12 73.96 5.69 0.02 0.03 0.03 18 K H H 143.61 1.77 21.23 21.89 95.04 49.85 -88.27 -11.84 48.47 0.11 51.42 7.33 3.93 36.56 47.01 5.02 0.02 0.04 0.09 19 A C C 23.82 17.54 9.28 26.02 116.51 96.76 -85.15 139.01 92.39 0.24 7.37 73.22 7.84 11.06 6.26 1.31 0.00 0.08 0.23 20 D C C 117.00 2.33 18.58 21.55 98.40 -170.30 -96.31 -7.38 97.36 0.20 2.44 58.42 27.28 11.82 1.28 0.96 0.00 0.07 0.19 21 N C C 78.31 4.63 19.75 24.91 122.65 66.36 -116.51 135.01 96.61 0.50 2.89 48.42 44.95 3.15 2.18 0.63 0.00 0.11 0.57 22 A H H 37.90 16.22 13.00 29.07 92.55 -141.24 -61.86 -36.28 10.53 0.03 89.45 2.20 3.65 4.28 89.04 0.80 0.00 0.01 0.02 23 T H H 89.20 2.21 20.76 22.35 91.79 55.84 -63.64 -41.06 4.31 0.01 95.68 0.70 0.65 2.59 95.39 0.66 0.00 0.00 0.00 24 T H H 56.94 5.87 20.04 26.70 92.07 48.33 -65.73 -40.32 1.93 0.01 98.05 0.63 0.24 0.96 97.54 0.62 0.00 0.00 0.00 25 V H H 6.06 23.29 14.02 37.45 91.41 51.31 -63.33 -43.44 0.58 0.00 99.42 0.18 0.06 0.23 99.36 0.16 0.00 0.00 0.00 26 K H H 89.62 11.31 21.83 32.84 91.29 51.40 -62.48 -42.30 0.33 0.00 99.67 0.07 0.02 0.15 99.70 0.06 0.00 0.00 0.00 27 D H H 87.01 1.94 26.44 26.50 91.47 49.70 -64.15 -41.49 0.29 0.00 99.71 0.05 0.01 0.15 99.74 0.04 0.00 0.00 0.00 28 A H H 10.98 15.86 20.54 37.15 91.57 49.94 -64.21 -42.45 0.22 0.00 99.78 0.03 0.01 0.13 99.80 0.03 0.00 0.00 0.00 29 L H H 8.38 23.54 18.91 42.21 91.62 50.88 -63.40 -42.00 0.15 0.00 99.85 0.03 0.01 0.08 99.86 0.02 0.00 0.00 0.00 30 T H H 68.80 5.47 25.34 31.02 91.54 50.68 -63.88 -41.78 0.11 0.00 99.89 0.02 0.00 0.05 99.91 0.01 0.00 0.00 0.00 31 K H H 108.83 4.13 26.03 30.31 91.65 49.72 -64.43 -41.58 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 32 M H H 7.87 23.28 19.60 42.61 91.68 49.37 -64.22 -42.78 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 33 Q H H 52.41 16.48 22.78 38.02 91.10 51.43 -62.30 -42.31 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.01 0.00 0.00 0.00 34 A H H 56.17 2.70 26.97 28.59 91.26 50.24 -63.07 -42.43 0.17 0.00 99.83 0.01 0.00 0.11 99.85 0.02 0.00 0.00 0.00 35 A H H 20.05 12.39 22.71 35.91 91.42 50.10 -64.44 -41.92 0.32 0.00 99.68 0.02 0.01 0.21 99.71 0.05 0.00 0.00 0.00 36 A H H 3.73 24.31 17.68 42.18 91.62 51.03 -63.48 -41.95 0.60 0.00 99.39 0.06 0.03 0.39 99.39 0.13 0.00 0.00 0.00 37 Q H H 82.79 7.37 24.59 32.36 91.25 50.98 -63.46 -41.53 0.74 0.00 99.26 0.08 0.04 0.51 99.20 0.18 0.00 0.00 0.00 38 D H H 81.40 3.23 25.67 28.26 91.72 49.74 -64.77 -40.55 1.09 0.00 98.91 0.14 0.07 0.71 98.79 0.29 0.00 0.00 0.00 39 A H H 7.88 20.17 17.09 37.48 91.62 51.75 -64.26 -41.21 1.73 0.00 98.27 0.21 0.11 1.18 97.64 0.85 0.00 0.00 0.00 40 W H H 79.03 17.13 18.12 34.25 91.51 52.57 -64.60 -35.92 3.65 0.00 96.34 0.34 0.24 2.80 94.78 1.83 0.00 0.00 0.00 41 S H H 84.44 1.98 22.30 23.77 92.21 54.07 -72.62 -21.93 14.45 0.01 85.54 0.72 0.79 12.53 84.42 1.52 0.01 0.00 0.01 42 A H H 49.59 9.93 17.53 28.04 96.07 56.67 -83.00 -14.83 42.72 0.11 57.17 4.09 5.24 32.40 56.23 1.89 0.02 0.03 0.10 43 T C S 36.02 17.82 13.87 30.96 115.47 76.13 -104.27 118.39 98.73 0.26 1.01 26.77 71.18 0.72 0.92 0.12 0.00 0.05 0.24 44 P C C 52.80 10.01 17.38 28.49 116.35 -120.04 -66.74 150.48 93.47 0.17 6.36 88.90 2.84 2.54 2.52 3.00 0.00 0.06 0.14 45 P C C 66.01 10.76 15.72 26.95 109.22 -101.09 -65.24 148.36 73.31 0.59 26.11 49.79 8.63 13.15 6.41 21.37 0.00 0.27 0.39 46 K C C 116.09 6.80 17.77 25.29 109.00 -110.07 -80.45 118.69 69.41 1.75 28.84 45.45 9.19 13.54 7.47 22.52 0.00 0.84 0.99 47 L C C 41.75 17.29 10.35 26.69 101.04 -156.85 -85.74 -2.84 70.26 1.93 27.81 50.83 9.50 8.99 8.11 20.53 0.00 0.90 1.13 48 E C C 127.80 4.43 14.36 20.29 97.81 86.23 -71.55 -25.73 79.26 1.38 19.36 39.03 17.03 23.52 5.38 13.49 0.00 0.59 0.96 49 D C C 121.52 1.33 15.45 16.35 98.44 38.74 -88.00 9.38 86.28 0.77 12.94 32.21 23.87 30.30 2.61 10.13 0.00 0.34 0.54 50 K C C 91.14 10.69 10.44 21.73 117.21 96.72 -98.33 141.15 92.48 1.15 6.37 51.04 29.61 11.53 1.36 5.06 0.00 0.43 0.99 51 S C C 49.31 4.72 15.53 21.51 121.62 -127.98 -90.87 154.14 98.34 1.03 0.63 79.27 17.20 1.60 0.20 0.41 0.00 0.32 1.01 52 P C T 81.42 9.78 11.20 21.97 92.54 -112.58 -62.02 -24.03 98.46 0.15 1.39 8.93 9.83 79.52 0.19 1.37 0.00 0.08 0.09 53 D C T 121.11 1.30 15.25 16.29 96.11 55.69 -90.28 0.93 98.24 0.15 1.60 8.70 10.58 78.83 0.27 1.45 0.00 0.09 0.09 54 S C C 30.98 9.84 9.25 21.04 115.11 115.58 -74.25 140.47 97.66 0.57 1.77 49.58 47.09 0.97 1.20 0.39 0.00 0.12 0.64 55 P C T 99.63 2.23 15.26 18.00 93.57 -120.50 -60.57 -30.75 62.33 0.22 37.45 9.21 6.61 45.88 27.42 10.57 0.01 0.10 0.19 56 E C T 93.64 7.31 15.74 24.03 93.56 58.93 -71.30 -21.13 54.67 0.42 44.91 9.38 4.70 39.41 35.95 10.02 0.04 0.20 0.31 57 M H H 25.56 18.60 11.61 29.73 93.61 69.28 -64.84 -38.12 18.58 0.32 81.10 7.62 3.44 7.99 68.20 12.42 0.03 0.16 0.14 58 S H H 64.02 4.65 19.03 24.33 92.50 55.90 -65.66 -36.10 15.99 0.26 83.76 5.78 2.38 7.75 71.11 12.70 0.02 0.15 0.10 59 D H H 89.99 3.18 21.31 23.97 93.10 51.98 -70.13 -30.61 14.80 0.20 85.00 4.82 2.45 7.50 73.24 11.77 0.02 0.11 0.08 60 F H H 31.38 19.18 15.81 34.22 93.63 52.50 -68.30 -37.57 15.07 0.19 84.74 5.79 2.95 7.11 77.33 6.60 0.03 0.09 0.09 61 R H H 86.15 14.55 19.57 33.19 92.10 57.35 -62.26 -41.96 9.30 0.07 90.62 3.40 1.40 4.72 88.02 2.38 0.01 0.03 0.04 62 C H H 64.24 3.32 24.09 26.63 92.02 50.35 -64.38 -41.39 5.84 0.02 94.14 1.35 0.72 3.62 92.99 1.30 0.00 0.01 0.01 63 G H H 12.49 11.71 20.48 33.42 92.13 50.54 -63.76 -42.10 3.65 0.01 96.34 0.85 0.40 2.19 95.78 0.77 0.00 0.00 0.00 64 F H H 13.24 22.56 18.02 40.14 91.71 50.68 -63.81 -42.59 1.03 0.00 98.97 0.25 0.10 0.59 98.72 0.34 0.00 0.00 0.00 65 W H H 124.95 8.02 23.37 31.67 91.44 50.84 -63.66 -40.94 0.38 0.00 99.61 0.09 0.03 0.21 99.51 0.16 0.00 0.00 0.00 66 E H H 100.19 3.75 25.17 28.44 91.64 49.79 -64.74 -41.87 0.48 0.00 99.51 0.08 0.03 0.30 99.44 0.15 0.00 0.00 0.00 67 L H H 14.88 19.03 20.31 39.20 91.60 49.30 -64.47 -42.74 0.69 0.00 99.31 0.08 0.04 0.46 99.29 0.13 0.00 0.00 0.00 68 I H H 22.21 19.27 20.33 39.07 91.28 50.95 -62.71 -42.43 0.43 0.00 99.57 0.06 0.03 0.23 99.63 0.05 0.00 0.00 0.00 69 G H H 34.77 3.65 25.19 28.51 91.34 50.95 -63.24 -41.89 0.62 0.00 99.38 0.08 0.03 0.36 99.47 0.06 0.00 0.00 0.00 70 Q H H 73.31 9.51 24.14 33.65 91.80 49.22 -65.49 -40.82 0.64 0.00 99.36 0.10 0.04 0.34 99.46 0.06 0.00 0.00 0.00 71 I H H 4.69 24.89 18.46 43.43 91.41 49.86 -63.99 -42.80 0.41 0.00 99.59 0.08 0.03 0.21 99.63 0.06 0.00 0.00 0.00 72 N H H 71.11 9.93 24.76 34.70 91.29 51.11 -63.01 -41.62 0.46 0.00 99.54 0.07 0.02 0.26 99.55 0.09 0.00 0.00 0.00 73 A H H 51.96 3.68 26.27 29.67 91.28 49.99 -64.27 -41.75 0.89 0.00 99.11 0.08 0.04 0.65 98.99 0.23 0.00 0.00 0.00 74 A H H 7.89 18.78 19.88 39.01 91.57 50.83 -64.24 -42.45 1.51 0.00 98.49 0.18 0.10 1.05 98.21 0.46 0.00 0.00 0.00 75 L H H 23.71 18.27 20.64 38.54 91.35 50.99 -63.47 -41.59 3.42 0.02 96.57 0.75 0.33 2.12 95.65 1.14 0.00 0.01 0.01 76 H H H 109.30 2.67 25.98 27.63 91.80 50.95 -64.71 -40.84 9.41 0.06 90.53 2.73 0.88 5.76 88.52 2.05 0.01 0.03 0.02 77 L H H 36.58 9.66 19.65 30.91 92.03 50.56 -66.06 -39.02 12.87 0.12 87.01 5.06 1.66 6.55 82.84 3.76 0.01 0.06 0.05 78 A H H 10.50 21.48 13.46 34.59 91.99 55.75 -64.59 -37.70 18.28 0.17 81.55 7.00 2.29 9.28 75.91 5.32 0.02 0.09 0.08 79 K H H 127.80 5.42 19.38 25.73 93.06 51.45 -72.00 -26.98 29.28 0.19 70.53 5.50 3.69 20.17 65.53 4.86 0.05 0.08 0.11 80 Q C T 126.19 1.83 19.78 20.45 98.17 45.74 -92.51 -3.72 58.30 0.25 41.45 7.22 9.92 40.66 38.06 3.81 0.03 0.09 0.21 81 C C T 57.77 14.38 11.86 25.48 104.95 -126.24 1.34 60.36 94.04 0.40 5.55 34.07 20.79 39.35 4.12 1.27 0.00 0.16 0.24 82 K C C 111.77 3.59 19.78 23.41 113.83 154.54 -89.65 129.45 95.80 1.01 3.19 91.22 3.46 1.09 2.73 0.41 0.00 0.30 0.80 83 V H H 58.07 15.60 12.74 27.89 93.45 -129.02 -60.21 -40.03 7.90 0.06 92.04 3.69 1.86 2.59 90.77 1.05 0.00 0.02 0.02 84 K H H 142.35 1.77 20.74 21.88 91.89 52.65 -64.05 -40.46 3.45 0.02 96.53 0.87 0.49 1.89 95.58 1.15 0.00 0.01 0.01 85 E H H 95.00 4.52 20.92 25.64 92.08 47.80 -66.54 -39.59 1.84 0.01 98.15 0.59 0.21 0.93 97.15 1.12 0.00 0.01 0.00 86 A H H 5.29 21.64 13.69 35.64 91.31 51.73 -63.91 -42.92 0.84 0.00 99.15 0.24 0.09 0.40 98.85 0.42 0.00 0.00 0.00 87 Q H H 76.89 10.77 21.99 32.60 91.56 51.18 -63.06 -41.68 0.61 0.00 99.39 0.13 0.05 0.31 99.33 0.18 0.00 0.00 0.00 88 A H H 53.71 2.36 25.26 26.06 91.28 50.47 -63.25 -42.57 0.53 0.00 99.47 0.09 0.03 0.31 99.43 0.14 0.00 0.00 0.00 89 A H H 14.26 14.46 20.87 36.13 91.83 49.90 -64.16 -42.18 0.43 0.00 99.57 0.06 0.02 0.26 99.55 0.11 0.00 0.00 0.00 90 A H H 6.99 22.13 18.30 40.28 91.38 51.29 -63.02 -42.16 0.27 0.00 99.73 0.03 0.01 0.16 99.71 0.08 0.00 0.00 0.00 91 E H H 104.42 3.75 25.47 29.10 91.49 50.86 -63.94 -41.25 0.22 0.00 99.78 0.02 0.01 0.13 99.77 0.06 0.00 0.00 0.00 92 Q H H 90.74 4.55 24.62 29.15 91.58 50.07 -64.38 -41.32 0.36 0.00 99.64 0.03 0.01 0.24 99.64 0.08 0.00 0.00 0.00 93 L H H 7.69 23.16 17.24 40.42 91.54 50.00 -63.89 -42.38 0.47 0.00 99.53 0.06 0.03 0.28 99.55 0.09 0.00 0.00 0.00 94 K H H 85.84 12.87 21.91 34.03 91.28 51.72 -62.10 -41.98 0.58 0.00 99.42 0.10 0.04 0.31 99.46 0.09 0.00 0.00 0.00 95 T H H 82.32 1.83 25.45 25.12 91.63 49.30 -64.53 -41.93 0.99 0.00 99.01 0.14 0.07 0.59 99.05 0.14 0.00 0.00 0.00 96 T H H 33.86 11.19 21.38 33.25 92.09 48.61 -65.46 -42.14 1.37 0.00 98.63 0.22 0.11 0.81 98.65 0.20 0.00 0.00 0.00 97 C H H 9.60 21.64 16.72 38.20 91.72 50.34 -63.40 -42.49 2.15 0.01 97.84 0.42 0.20 1.26 97.80 0.31 0.00 0.00 0.00 98 N H H 81.05 4.86 23.13 28.19 91.62 50.39 -63.87 -40.86 3.52 0.01 96.47 0.67 0.32 2.22 96.18 0.59 0.00 0.00 0.00 99 A H H 50.35 2.83 22.55 24.51 91.67 50.19 -64.12 -41.54 5.03 0.01 94.95 0.64 0.44 3.64 94.12 1.15 0.01 0.01 0.00 100 C H H 13.22 15.76 16.21 32.99 92.45 49.64 -64.78 -42.08 8.12 0.03 91.85 1.28 0.82 5.75 90.29 1.81 0.01 0.01 0.02 101 H H H 45.32 14.79 14.73 29.79 92.24 51.12 -65.14 -39.26 8.02 0.06 91.92 2.09 0.99 4.82 88.42 3.59 0.01 0.03 0.03 102 Q H H 126.17 1.64 17.84 18.84 92.11 52.59 -65.83 -38.00 10.29 0.05 89.66 1.63 0.99 7.08 80.93 9.30 0.02 0.03 0.02 103 K H H 132.45 2.76 15.81 19.24 92.93 49.48 -69.73 -32.05 21.45 0.06 78.49 2.29 1.55 16.98 71.52 7.57 0.02 0.03 0.04 104 Y H H 72.82 14.32 10.77 24.78 99.71 40.54 -95.85 -5.79 41.50 0.20 58.30 15.26 1.62 24.55 54.05 4.28 0.01 0.07 0.17 105 R C C 137.08 7.75 14.46 23.43 104.81 102.76 -76.00 85.66 99.93 0.02 0.05 99.80 0.08 0.07 0.04 0.00 0.00 0.01 0.01