# 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 60.68 8.99 13.47 23.06 111.96 -134.30 -79.03 134.18 99.91 0.05 0.04 99.82 0.08 0.06 0.02 0.00 0.00 0.02 0.01 1 G C C 45.12 5.70 12.56 19.45 116.52 -150.04 -95.55 164.33 87.14 1.90 10.97 81.00 1.54 5.48 7.68 2.31 0.00 0.87 1.11 2 R C C 150.72 4.98 11.12 17.54 107.67 -98.81 -81.72 113.48 71.65 2.68 25.67 46.19 14.80 10.92 18.64 6.85 0.01 1.35 1.24 3 S C C 73.47 3.95 12.05 17.46 106.88 -110.14 -77.82 133.27 67.51 2.35 30.14 47.50 10.71 9.25 21.53 8.73 0.01 1.36 0.92 4 A C C 66.87 5.55 12.22 19.14 103.36 -87.69 -75.92 3.62 63.01 3.13 33.86 46.48 8.68 7.86 26.04 7.94 0.01 1.86 1.14 5 V C C 76.25 8.53 10.79 20.29 108.96 67.42 -90.23 97.63 61.04 4.21 34.74 44.30 9.34 7.50 29.07 5.81 0.02 2.45 1.51 6 S C C 66.55 4.80 13.31 19.42 109.20 59.01 -85.99 96.53 63.66 3.00 33.34 43.65 10.03 9.65 28.54 5.34 0.02 1.65 1.11 7 A C C 70.78 4.38 12.45 18.17 102.26 -126.94 -79.11 -15.96 64.66 1.89 33.45 31.57 15.76 17.78 27.22 5.89 0.04 0.90 0.84 8 S C C 64.68 4.29 13.47 18.80 101.73 54.93 -80.94 -18.46 69.21 1.26 29.53 37.53 14.52 17.13 24.60 4.98 0.01 0.53 0.70 9 S H H 57.76 6.37 11.73 19.47 99.15 62.21 -71.09 -29.96 47.78 0.64 51.58 24.73 13.78 10.51 46.56 3.83 0.02 0.23 0.34 10 K H H 142.59 1.97 14.24 16.75 94.56 66.15 -66.38 -36.81 19.00 0.35 80.65 7.04 4.10 9.17 73.45 5.85 0.05 0.18 0.16 11 W H H 147.41 2.97 14.80 18.37 92.98 51.55 -66.51 -40.31 11.66 0.32 88.02 4.41 1.93 5.92 81.13 6.27 0.04 0.20 0.11 12 L H H 58.04 9.13 13.51 23.88 93.11 50.42 -66.20 -40.49 7.16 0.17 92.68 3.10 1.15 3.35 87.86 4.38 0.02 0.11 0.05 13 D H H 69.95 5.95 15.73 22.95 92.37 52.27 -64.76 -40.59 5.30 0.07 94.62 1.87 0.76 2.83 92.80 1.66 0.01 0.04 0.02 14 G H H 33.99 2.94 17.47 20.70 92.37 50.77 -63.80 -41.62 6.58 0.06 93.36 1.34 0.72 4.49 92.12 1.27 0.02 0.02 0.02 15 F H H 92.80 5.46 17.30 23.56 92.53 49.73 -65.94 -41.26 3.94 0.03 96.03 0.92 0.44 2.45 95.33 0.83 0.01 0.01 0.01 16 R H H 85.33 11.62 15.94 27.86 91.96 52.41 -63.45 -41.34 1.24 0.01 98.75 0.32 0.11 0.63 98.67 0.25 0.00 0.00 0.00 17 K H H 108.56 5.55 18.01 24.51 91.91 51.57 -63.67 -40.94 0.54 0.00 99.46 0.10 0.04 0.31 99.39 0.15 0.00 0.00 0.00 18 W H H 140.18 2.76 19.57 21.90 92.29 49.98 -64.80 -41.96 0.33 0.00 99.66 0.05 0.02 0.21 99.57 0.14 0.00 0.00 0.00 19 Y H H 80.08 9.26 17.51 27.65 92.37 49.08 -64.92 -42.17 0.43 0.00 99.56 0.05 0.03 0.29 99.42 0.20 0.00 0.00 0.00 20 Y H H 56.95 13.86 15.29 29.59 92.56 49.05 -64.43 -41.64 0.96 0.01 99.03 0.10 0.07 0.72 98.75 0.35 0.00 0.00 0.00 21 N H H 88.82 5.22 17.90 24.01 92.42 49.88 -65.35 -39.32 3.36 0.01 96.63 0.22 0.19 2.85 96.12 0.59 0.01 0.00 0.00 22 A H H 65.28 4.44 18.07 23.12 91.90 52.94 -68.11 -29.60 12.28 0.02 87.70 0.41 0.62 11.36 86.72 0.85 0.02 0.01 0.01 23 A C T 34.98 11.81 14.79 27.50 94.28 54.12 -83.13 -6.80 69.79 0.18 30.03 1.44 5.04 61.43 30.33 1.50 0.03 0.06 0.17 24 G C T 30.09 6.59 19.48 27.39 96.93 -114.16 79.84 11.78 90.59 0.23 9.18 9.18 6.83 74.42 7.22 2.06 0.00 0.09 0.18 25 F H H 29.34 19.14 13.39 32.58 94.41 127.61 -68.06 -35.70 29.65 0.35 70.00 7.69 4.53 16.33 42.85 28.15 0.07 0.16 0.22 26 N H G 73.13 12.20 16.29 28.45 92.26 60.06 -65.10 -30.63 18.10 0.32 81.58 2.28 1.87 12.10 40.37 42.98 0.08 0.18 0.13 27 K H G 147.19 2.25 20.09 22.38 91.88 56.74 -69.98 -25.48 19.36 0.26 80.38 1.58 1.91 13.72 40.81 41.57 0.14 0.14 0.14 28 L H H 59.59 12.40 16.04 28.83 94.91 53.97 -88.85 -4.43 39.78 0.49 59.73 2.36 5.67 29.39 31.92 29.77 0.25 0.23 0.41 29 G C T 29.28 8.09 20.79 29.95 100.79 -108.82 84.07 15.34 97.88 0.42 1.71 25.05 7.42 65.74 0.80 0.59 0.00 0.23 0.17 30 L C C 24.65 20.80 13.35 33.97 112.25 148.08 -85.29 127.63 93.15 2.60 4.24 87.76 3.35 2.15 2.55 1.33 0.00 1.17 1.69 31 M C C 66.99 10.35 19.83 30.38 122.55 -158.79 -101.27 153.92 81.57 4.02 14.41 69.86 6.48 4.74 9.04 5.03 0.00 1.50 3.35 32 R H G 119.42 11.40 16.48 27.85 94.08 -112.76 -62.20 -32.80 29.15 1.08 69.76 7.52 5.37 15.90 28.12 41.97 0.06 0.62 0.43 33 D H G 91.72 5.94 18.82 25.40 92.53 62.05 -72.51 -14.88 27.56 0.47 71.97 4.66 4.03 17.27 27.90 45.63 0.04 0.26 0.22 34 D H G 46.03 14.54 15.05 29.67 96.71 61.27 -89.30 -3.26 30.03 0.76 69.21 9.57 5.75 14.48 25.98 43.44 0.03 0.39 0.35 35 T C C 38.79 16.09 13.82 29.57 117.14 80.83 -104.64 128.54 59.45 5.43 35.12 31.93 15.29 13.42 17.82 15.64 0.19 2.08 3.63 36 L C C 87.54 9.27 16.20 25.91 105.64 -141.10 -87.77 54.32 82.80 3.52 13.68 45.22 21.51 16.60 6.39 6.58 0.01 1.59 2.09 37 H C C 117.53 5.45 16.61 23.01 113.75 23.61 -101.23 117.51 94.58 1.11 4.31 74.22 9.41 11.05 1.82 2.25 0.00 0.57 0.68 38 E C C 85.83 13.76 10.67 24.17 117.05 -156.38 -100.06 127.63 98.72 0.57 0.71 89.71 8.09 0.92 0.43 0.21 0.00 0.21 0.44 39 T C C 54.73 5.88 13.82 21.32 128.60 -142.16 -114.53 168.13 99.09 0.18 0.72 94.48 4.21 0.43 0.61 0.08 0.00 0.05 0.15 40 E H H 150.48 1.27 14.97 16.11 91.44 -98.81 -60.02 -35.92 4.66 0.01 95.33 0.77 0.80 2.77 95.15 0.49 0.00 0.00 0.00 41 D H H 84.17 4.27 15.86 21.12 92.42 52.22 -66.09 -38.71 3.01 0.01 96.99 0.41 0.29 2.08 96.70 0.51 0.00 0.00 0.00 42 V H H 16.49 18.42 11.84 30.28 92.63 48.61 -67.60 -41.36 0.86 0.00 99.13 0.21 0.09 0.46 98.87 0.38 0.00 0.00 0.00 43 K H H 93.09 7.50 17.35 25.85 91.48 52.80 -62.38 -41.79 0.29 0.00 99.71 0.07 0.02 0.14 99.60 0.16 0.00 0.00 0.00 44 E H H 96.00 2.14 20.49 21.39 91.63 50.30 -63.96 -41.60 0.37 0.00 99.62 0.05 0.02 0.23 99.44 0.24 0.00 0.00 0.00 45 A H H 18.34 12.27 16.11 30.00 92.20 50.78 -64.64 -41.19 0.75 0.00 99.25 0.05 0.03 0.56 98.83 0.51 0.00 0.00 0.00 46 I H H 33.14 17.24 14.18 31.25 92.03 51.27 -65.64 -35.53 2.31 0.00 97.68 0.10 0.10 2.05 94.90 2.84 0.00 0.00 0.00 47 R H H 162.71 2.38 18.46 21.36 91.13 58.44 -67.21 -25.33 27.09 0.01 72.89 0.32 0.48 27.93 68.02 3.22 0.01 0.00 0.01 48 R C T 152.72 2.98 16.93 20.32 94.02 56.11 -85.02 -10.02 62.66 0.02 37.31 0.84 1.73 60.75 33.62 3.01 0.00 0.01 0.03 49 L C S 28.58 18.74 7.03 24.30 121.41 96.99 -83.09 147.40 99.76 0.11 0.13 6.47 93.10 0.24 0.08 0.01 0.00 0.02 0.08 50 P C C 70.92 2.97 16.43 19.81 114.47 -102.66 -63.01 148.02 99.82 0.06 0.12 99.57 0.23 0.07 0.08 0.01 0.00 0.01 0.03 51 E H H 141.15 2.82 12.52 17.13 91.67 -110.95 -57.56 -37.97 5.43 0.01 94.56 0.43 0.51 4.32 90.03 4.71 0.00 0.00 0.00 52 D H H 105.37 1.70 16.09 17.71 91.85 53.99 -65.05 -37.69 5.16 0.01 94.84 0.25 0.28 4.57 89.36 5.53 0.01 0.00 0.00 53 L H H 44.22 11.46 14.24 26.79 92.69 48.38 -67.60 -39.81 2.63 0.01 97.36 0.27 0.18 1.98 92.29 5.27 0.00 0.00 0.00 54 Y H H 68.65 11.21 15.31 27.56 91.74 52.60 -62.83 -43.14 0.54 0.00 99.46 0.10 0.05 0.29 99.23 0.34 0.00 0.00 0.00 55 N H H 84.04 3.08 20.86 23.50 91.59 49.74 -64.39 -41.23 0.36 0.00 99.63 0.04 0.02 0.24 99.58 0.13 0.00 0.00 0.00 56 D H H 51.36 8.36 19.34 28.81 91.50 50.39 -64.78 -41.25 0.22 0.00 99.78 0.02 0.01 0.15 99.72 0.10 0.00 0.00 0.00 57 R H H 49.49 15.72 18.06 33.66 91.58 50.89 -64.02 -41.31 0.23 0.00 99.77 0.02 0.01 0.15 99.73 0.08 0.00 0.00 0.00 58 M H H 76.63 7.38 22.00 29.73 91.67 50.74 -64.22 -41.63 0.29 0.00 99.71 0.02 0.01 0.20 99.72 0.04 0.00 0.00 0.00 59 F H H 81.77 6.20 22.33 29.07 91.60 50.65 -63.85 -42.70 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 60 R H H 49.55 15.82 19.81 35.31 91.90 50.66 -64.02 -42.24 0.07 0.00 99.93 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 61 I H H 48.45 13.36 20.72 34.08 91.64 49.97 -64.28 -41.94 0.07 0.00 99.93 0.00 0.00 0.04 99.93 0.02 0.00 0.00 0.00 62 K H H 106.39 4.37 24.25 28.47 91.65 50.01 -64.11 -41.73 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 63 R H H 71.27 10.91 21.66 32.84 91.83 49.74 -64.71 -41.85 0.34 0.00 99.66 0.02 0.01 0.23 99.66 0.06 0.00 0.00 0.00 64 A H H 11.80 18.19 17.42 35.95 91.71 51.23 -63.63 -42.03 0.92 0.00 99.08 0.08 0.04 0.62 99.02 0.23 0.00 0.00 0.00 65 L H H 72.29 6.45 21.79 28.60 91.44 50.56 -64.30 -40.65 3.55 0.01 96.44 0.27 0.21 2.79 96.05 0.68 0.00 0.00 0.00 66 D H H 67.54 4.07 21.00 25.21 91.78 50.49 -65.78 -38.65 8.78 0.03 91.19 1.17 0.69 6.54 90.27 1.28 0.01 0.01 0.02 67 L H H 21.59 14.22 13.65 29.20 92.11 54.23 -64.83 -40.07 10.60 0.18 89.22 4.01 1.65 5.52 83.82 4.80 0.03 0.09 0.09 68 T H H 59.71 9.82 14.72 25.36 92.34 52.73 -65.62 -39.23 13.07 0.15 86.78 3.07 1.43 8.45 80.33 6.53 0.04 0.08 0.07 69 M H H 129.55 2.20 15.58 18.04 92.35 51.15 -68.97 -31.88 21.90 0.15 77.95 2.44 2.31 17.06 72.13 5.81 0.09 0.07 0.09 70 R C T 141.54 2.72 14.56 17.80 96.14 43.46 -91.65 -1.04 59.28 0.25 40.47 4.72 7.61 46.05 37.40 3.86 0.05 0.09 0.22 71 H C T 135.48 5.36 12.80 20.21 94.79 -122.97 58.78 38.22 94.65 0.24 5.11 22.09 8.91 64.05 3.52 1.20 0.00 0.11 0.14 72 Q C C 93.12 5.60 15.61 22.87 122.28 143.30 -111.27 142.26 96.94 1.84 1.22 85.09 9.54 2.35 0.49 0.62 0.00 0.93 0.99 73 I C C 93.22 9.08 16.64 26.66 115.12 -131.55 -91.69 131.41 95.13 4.48 0.39 89.64 4.75 0.55 0.18 0.17 0.00 1.63 3.07 74 L C C 21.95 20.24 9.91 29.63 114.82 -124.38 -80.83 136.77 98.96 1.03 0.02 94.01 5.11 0.04 0.01 0.01 0.00 0.46 0.37 75 P C C 62.50 3.99 18.44 22.94 113.95 -105.69 -64.59 147.76 99.62 0.34 0.04 99.35 0.35 0.04 0.01 0.01 0.00 0.11 0.12 76 K H G 133.08 7.11 11.59 20.46 91.10 -114.93 -57.53 -35.20 9.87 0.05 90.09 0.84 0.93 7.21 2.68 88.31 0.00 0.03 0.01 77 D H G 123.01 0.98 15.57 15.75 90.58 61.00 -69.85 -17.45 9.72 0.03 90.25 0.42 0.65 7.98 2.75 88.16 0.00 0.02 0.00 78 Q H G 72.69 10.22 12.98 24.36 96.11 54.83 -94.78 -3.66 9.94 0.09 89.97 1.25 1.24 6.61 3.11 87.72 0.00 0.06 0.01 79 W C C 62.44 16.99 11.11 27.73 117.56 96.34 -87.60 136.13 87.57 3.35 9.08 66.59 17.42 2.82 6.07 2.81 0.00 0.95 3.34 80 T C C 43.48 10.63 15.23 27.24 120.17 -153.92 -101.34 148.46 91.36 3.82 4.81 80.11 8.06 2.94 3.40 1.47 0.00 1.79 2.22 81 K C C 108.76 5.19 19.28 24.84 115.36 -113.56 -78.22 149.61 82.81 5.45 11.74 60.51 16.51 5.41 8.24 3.67 0.00 2.60 3.06 82 Y C C 87.25 14.61 12.26 26.60 94.78 -111.14 -62.20 -34.53 52.19 1.64 46.17 24.25 11.23 16.69 22.11 24.03 0.03 0.80 0.85 83 E H G 117.44 3.71 15.73 20.40 93.23 59.73 -69.25 -28.63 44.66 1.01 54.33 18.06 8.75 17.30 25.49 29.36 0.03 0.49 0.52 84 E H G 98.99 5.21 15.20 21.60 95.00 56.75 -73.45 -24.01 41.96 1.03 57.01 16.60 8.53 16.13 27.28 30.42 0.03 0.49 0.53 85 D C C 38.57 14.87 11.66 26.49 99.36 58.62 -87.82 7.39 58.25 0.81 40.94 36.42 8.25 13.29 23.40 17.73 0.00 0.35 0.54 86 K H G 99.79 9.61 14.91 25.19 95.07 101.77 -67.04 -29.01 37.82 0.56 61.62 21.48 5.77 9.86 30.96 31.38 0.01 0.27 0.28 87 F H G 127.96 3.43 18.19 21.78 93.12 61.07 -69.04 -27.93 19.04 0.23 80.73 4.97 2.32 10.27 29.12 53.09 0.01 0.13 0.08 88 Y H G 78.54 11.17 16.89 28.64 95.49 58.55 -72.25 -34.53 20.64 0.15 79.21 2.57 2.10 13.87 26.34 54.96 0.01 0.08 0.07 89 L H G 18.25 20.39 13.61 33.76 95.80 47.57 -85.60 -15.44 23.25 0.12 76.63 3.27 2.36 15.38 35.39 43.45 0.02 0.06 0.07 90 E H H 82.95 8.70 17.40 27.26 92.03 82.02 -58.83 -43.86 3.57 0.00 96.43 1.00 0.53 1.71 95.42 1.34 0.00 0.00 0.00 91 P H H 66.75 3.28 20.70 23.78 91.42 50.13 -63.93 -39.29 2.14 0.00 97.86 0.33 0.15 1.46 96.71 1.35 0.00 0.00 0.00 92 Y H H 49.07 13.86 18.00 32.35 92.04 50.25 -65.47 -41.49 0.72 0.00 99.28 0.10 0.04 0.48 98.33 1.04 0.00 0.00 0.00 93 L H H 30.02 16.41 17.13 33.73 92.02 50.96 -63.94 -41.50 0.23 0.00 99.77 0.05 0.01 0.11 99.71 0.12 0.00 0.00 0.00 94 K H H 115.45 3.04 22.04 24.85 91.46 50.41 -63.81 -41.10 0.07 0.00 99.93 0.01 0.00 0.04 99.93 0.02 0.00 0.00 0.00 95 E H H 79.98 5.07 20.82 26.37 91.64 50.26 -64.56 -41.61 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 96 V H H 18.34 15.40 17.11 33.57 92.18 49.68 -64.15 -43.24 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 97 I H H 53.86 8.27 19.00 28.52 91.57 49.62 -63.34 -42.27 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 98 R H H 123.44 2.33 20.93 22.28 91.67 49.79 -64.00 -42.02 0.09 0.00 99.91 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 99 E H H 68.51 6.99 17.59 25.88 92.02 49.98 -64.84 -40.97 0.16 0.00 99.84 0.01 0.00 0.10 99.87 0.02 0.00 0.00 0.00 100 R H H 88.76 8.49 16.55 26.00 91.96 50.48 -64.62 -40.87 0.23 0.00 99.77 0.02 0.01 0.14 99.81 0.02 0.00 0.00 0.00 101 K H H 112.37 2.42 18.33 20.47 91.74 50.39 -64.12 -40.75 0.28 0.00 99.72 0.03 0.01 0.16 99.76 0.03 0.00 0.00 0.00 102 E H H 94.33 2.71 16.68 19.64 91.88 50.01 -64.88 -41.15 0.42 0.00 99.58 0.05 0.02 0.25 99.63 0.06 0.00 0.00 0.00 103 R H H 105.79 5.10 14.91 21.06 92.03 49.94 -65.36 -41.07 0.48 0.00 99.52 0.06 0.02 0.28 99.54 0.10 0.00 0.00 0.00 104 E H H 95.48 2.77 14.68 18.10 91.87 50.41 -64.17 -40.95 0.76 0.00 99.23 0.09 0.04 0.48 99.17 0.22 0.00 0.00 0.00 105 E H H 105.98 1.66 14.09 15.58 91.89 50.48 -64.59 -40.66 2.45 0.00 97.55 0.24 0.14 1.76 97.16 0.69 0.00 0.00 0.00 106 W H H 135.90 3.06 11.38 15.81 92.56 50.28 -67.56 -37.23 6.32 0.01 93.67 0.61 0.42 4.79 92.63 1.55 0.00 0.00 0.00 107 A H H 72.91 2.88 10.00 14.22 92.73 54.10 -70.29 -27.53 23.11 0.05 76.84 2.26 1.77 18.43 76.14 1.34 0.01 0.02 0.04 108 K C H 155.19 1.19 10.24 11.81 95.80 56.63 -80.41 -10.34 59.44 0.15 40.41 19.50 1.72 35.77 41.43 1.43 0.00 0.05 0.10 109 K C C 147.27 2.57 10.93 15.10 102.85 102.45 -76.61 53.59 99.94 0.02 0.05 99.70 0.13 0.12 0.03 0.00 0.00 0.01 0.00