# 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 P C C 82.76 5.81 13.42 20.73 113.81 -118.09 -71.54 143.93 99.98 0.01 0.01 99.93 0.04 0.02 0.00 0.00 0.00 0.00 0.00 1 R C C 163.00 3.50 11.17 16.66 113.44 -132.65 -91.55 129.96 92.80 4.80 2.40 90.25 1.57 1.52 1.38 0.60 0.00 2.25 2.43 2 V C C 83.25 7.73 8.86 17.93 115.44 -147.91 -96.36 130.86 89.46 6.02 4.52 78.86 7.36 3.19 2.93 1.54 0.00 3.85 2.27 3 K C C 150.85 2.28 13.08 16.70 112.77 -145.02 -85.92 131.32 86.55 4.84 8.61 61.37 12.98 11.94 6.41 2.56 0.00 3.21 1.53 4 G C C 45.63 5.62 12.08 18.83 109.90 27.79 88.24 -3.31 84.87 1.72 13.41 44.85 22.02 17.76 10.66 3.08 0.00 0.79 0.83 5 G C H 35.13 6.24 12.29 19.87 117.13 128.59 77.00 -167.66 63.51 0.88 35.61 33.48 20.52 9.12 33.50 2.61 0.01 0.30 0.45 6 T H H 95.52 2.35 14.70 17.27 94.66 -54.61 -66.74 -34.59 22.02 0.49 77.48 10.48 6.07 7.06 73.64 2.30 0.03 0.21 0.20 7 V H H 74.66 4.53 15.51 20.95 93.38 51.19 -67.05 -39.91 13.35 0.43 86.22 6.98 2.77 4.67 83.13 2.07 0.02 0.23 0.13 8 T H H 36.72 10.83 13.21 25.30 93.04 50.77 -66.17 -40.87 9.25 0.27 90.49 5.73 1.52 2.79 88.07 1.66 0.01 0.15 0.07 9 R H H 118.16 5.31 16.64 23.01 92.27 51.48 -64.61 -40.91 4.47 0.06 95.47 2.26 0.68 1.62 94.53 0.86 0.00 0.03 0.02 10 K H H 118.14 2.07 19.13 20.35 92.10 50.14 -65.25 -41.13 2.57 0.02 97.41 1.06 0.33 1.08 97.01 0.50 0.00 0.01 0.01 11 R H H 94.24 8.06 17.43 26.33 92.22 49.28 -65.53 -40.98 1.86 0.01 98.13 0.67 0.21 0.84 97.90 0.37 0.00 0.01 0.00 12 R H H 74.07 14.17 15.70 29.73 91.85 51.60 -63.45 -41.30 1.23 0.01 98.76 0.38 0.12 0.58 98.68 0.24 0.00 0.00 0.00 13 K H H 112.95 3.44 20.48 23.96 91.94 50.62 -64.45 -40.59 1.07 0.00 98.93 0.29 0.10 0.53 98.89 0.19 0.00 0.00 0.00 14 K H H 106.90 3.14 21.00 23.62 91.81 50.06 -64.79 -41.21 1.35 0.01 98.64 0.33 0.12 0.72 98.60 0.22 0.00 0.00 0.00 15 V H H 24.48 14.71 16.31 31.81 92.10 49.60 -64.57 -42.57 1.03 0.00 98.97 0.21 0.10 0.61 98.76 0.31 0.00 0.00 0.00 16 L H H 51.21 12.32 16.93 29.84 91.85 50.93 -63.51 -40.23 1.11 0.01 98.89 0.19 0.10 0.71 98.06 0.93 0.00 0.00 0.00 17 K H H 132.23 1.80 21.71 22.25 91.94 51.13 -64.64 -39.70 3.61 0.01 96.37 0.30 0.21 2.93 94.42 2.13 0.01 0.00 0.00 18 L H H 79.11 6.31 18.11 25.23 92.30 49.81 -68.36 -33.88 9.14 0.01 90.85 0.42 0.54 7.96 88.56 2.48 0.02 0.00 0.01 19 A H H 15.87 18.29 11.33 29.41 94.19 54.11 -78.99 -14.77 31.78 0.12 68.10 4.47 3.65 23.58 61.11 6.98 0.04 0.05 0.10 20 K C T 136.50 4.64 15.88 22.59 100.46 104.66 -63.52 5.67 58.32 0.18 41.50 3.25 3.23 51.03 18.45 23.77 0.01 0.08 0.18 21 G C T 59.82 1.40 16.82 17.70 97.25 41.16 -65.56 -3.38 66.11 0.20 33.69 4.61 4.92 55.75 9.69 24.74 0.00 0.10 0.17 22 Y C C 102.88 10.86 10.86 22.30 108.18 91.41 -91.57 85.16 74.83 1.68 23.49 48.13 11.65 14.30 5.31 18.84 0.00 0.84 0.92 23 F C C 130.65 5.37 12.49 19.56 118.48 126.80 -106.08 137.17 88.74 5.24 6.02 64.52 11.80 12.18 2.77 3.03 0.00 2.40 3.29 24 G C C 43.61 4.31 13.24 19.16 127.29 80.72 118.19 -169.19 92.87 3.37 3.77 45.82 31.29 16.12 1.14 2.49 0.00 1.78 1.36 25 S C C 68.94 3.20 13.47 17.58 117.18 -65.40 -89.27 149.78 93.97 2.62 3.40 70.76 17.50 5.64 1.56 1.75 0.00 1.18 1.61 26 K C H 139.88 4.36 10.99 17.31 94.74 -121.67 -64.58 -29.81 51.14 0.80 48.06 14.70 16.67 20.81 33.30 13.58 0.07 0.33 0.55 27 H H H 147.93 1.40 13.60 14.94 95.05 58.99 -72.05 -30.90 45.26 0.31 54.43 5.75 8.62 30.12 40.16 14.91 0.08 0.14 0.23 28 T H H 71.36 3.96 13.86 18.93 100.27 44.98 -88.11 -16.48 40.64 0.75 58.61 12.56 6.27 21.79 43.95 14.57 0.07 0.38 0.41 29 L H H 52.78 10.74 12.10 24.08 93.66 70.83 -65.18 -40.11 13.63 0.31 86.06 8.53 2.68 3.42 83.14 1.97 0.01 0.13 0.12 30 Y H H 109.37 7.60 15.94 24.48 92.59 52.23 -65.05 -41.45 3.55 0.05 96.40 1.43 0.54 1.48 95.76 0.74 0.00 0.03 0.01 31 K H H 124.35 2.03 20.01 21.11 92.53 49.30 -65.64 -41.12 2.10 0.03 97.88 0.74 0.25 1.00 97.36 0.62 0.00 0.01 0.00 32 V H H 56.76 5.89 18.86 25.85 92.44 48.50 -65.49 -41.67 1.38 0.01 98.61 0.42 0.15 0.68 98.39 0.34 0.00 0.00 0.00 33 A H H 15.44 14.12 15.12 30.64 91.61 51.05 -63.40 -42.23 0.79 0.00 99.20 0.22 0.07 0.37 99.20 0.13 0.00 0.00 0.00 34 N H H 72.66 6.53 19.92 27.01 91.73 50.53 -64.26 -41.16 0.49 0.00 99.51 0.10 0.03 0.25 99.55 0.07 0.00 0.00 0.00 35 Q H H 97.67 2.61 21.67 23.35 92.01 49.69 -64.82 -41.28 0.22 0.00 99.78 0.03 0.01 0.12 99.80 0.04 0.00 0.00 0.00 36 Q H H 69.83 8.14 18.93 27.93 92.23 49.57 -65.53 -41.03 0.21 0.00 99.79 0.03 0.01 0.12 99.80 0.05 0.00 0.00 0.00 37 V H H 44.18 11.97 16.82 29.45 92.24 49.74 -64.47 -41.92 0.32 0.00 99.68 0.04 0.02 0.19 99.69 0.06 0.00 0.00 0.00 38 M H H 98.60 3.76 20.15 23.84 91.87 49.58 -64.24 -41.40 0.72 0.00 99.28 0.09 0.04 0.44 99.33 0.09 0.00 0.00 0.00 39 K H H 116.02 2.60 20.31 22.44 92.18 48.93 -65.30 -41.12 1.41 0.00 98.59 0.18 0.09 0.89 98.68 0.15 0.00 0.00 0.00 40 S H H 36.57 8.56 16.76 26.59 92.26 50.62 -64.76 -40.76 1.39 0.00 98.61 0.21 0.10 0.83 98.65 0.20 0.00 0.00 0.00 41 G H H 29.35 7.34 17.62 25.77 92.50 50.68 -64.26 -40.88 1.61 0.00 98.38 0.24 0.11 1.01 98.37 0.27 0.00 0.00 0.00 42 N H H 87.39 2.84 19.58 21.98 92.31 50.38 -65.32 -41.18 1.48 0.00 98.52 0.25 0.11 0.89 98.47 0.27 0.00 0.00 0.00 43 Y H H 112.05 3.73 18.97 22.89 92.44 49.40 -65.10 -41.31 1.19 0.00 98.81 0.22 0.11 0.69 98.71 0.28 0.00 0.00 0.00 44 A H H 35.92 7.95 15.84 25.04 92.19 51.41 -64.14 -41.47 1.45 0.00 98.55 0.26 0.11 0.85 98.48 0.29 0.00 0.00 0.00 45 F H H 103.95 4.30 17.99 22.60 92.14 49.83 -64.99 -41.28 1.96 0.00 98.04 0.35 0.17 1.21 97.86 0.40 0.00 0.00 0.00 46 R H H 128.53 2.21 18.83 20.37 92.03 49.72 -64.79 -41.50 2.68 0.00 97.32 0.47 0.24 1.69 97.23 0.37 0.00 0.00 0.00 47 D H H 63.54 4.69 16.74 22.38 92.40 49.58 -66.12 -40.18 4.86 0.01 95.14 1.00 0.43 2.92 95.25 0.39 0.00 0.00 0.00 48 R H H 104.24 6.66 16.20 23.50 92.07 51.03 -64.61 -40.80 2.17 0.00 97.82 0.50 0.23 1.17 97.79 0.31 0.00 0.00 0.00 49 R H H 128.99 2.84 17.70 20.66 92.22 50.26 -64.90 -40.89 1.78 0.00 98.22 0.37 0.17 1.00 98.18 0.28 0.00 0.00 0.00 50 Q H H 94.42 2.62 17.80 20.25 92.07 49.68 -65.11 -40.84 1.68 0.00 98.32 0.39 0.16 0.91 98.29 0.26 0.00 0.00 0.00 51 K H H 99.67 5.01 16.93 22.58 92.09 50.21 -64.61 -41.05 1.23 0.00 98.77 0.27 0.11 0.63 98.81 0.18 0.00 0.00 0.00 52 K H H 97.31 6.00 16.82 23.71 92.06 50.39 -64.51 -40.93 0.97 0.00 99.03 0.18 0.08 0.53 99.05 0.16 0.00 0.00 0.00 53 R H H 123.02 3.03 18.26 21.37 92.09 50.29 -64.82 -41.38 0.75 0.00 99.25 0.12 0.05 0.42 99.27 0.13 0.00 0.00 0.00 54 D H H 74.54 3.25 18.87 22.01 91.89 49.56 -65.06 -41.26 0.79 0.00 99.21 0.13 0.05 0.45 99.26 0.11 0.00 0.00 0.00 55 F H H 78.37 8.15 17.37 26.52 92.22 49.95 -64.61 -41.44 0.47 0.00 99.53 0.07 0.03 0.27 99.56 0.08 0.00 0.00 0.00 56 R H H 96.72 10.21 17.70 28.32 91.85 51.37 -63.76 -41.23 0.30 0.00 99.70 0.04 0.01 0.18 99.71 0.06 0.00 0.00 0.00 57 K H H 116.86 3.26 20.62 23.76 91.85 50.05 -64.61 -41.07 0.30 0.00 99.70 0.02 0.01 0.20 99.71 0.06 0.00 0.00 0.00 58 L H H 76.68 4.77 21.04 25.99 92.00 49.71 -64.83 -41.57 0.24 0.00 99.76 0.02 0.01 0.16 99.76 0.05 0.00 0.00 0.00 59 W H H 45.79 15.69 18.26 34.09 92.02 50.23 -64.24 -42.25 0.26 0.00 99.74 0.02 0.01 0.17 99.75 0.04 0.00 0.00 0.00 60 I H H 49.52 12.96 19.89 33.06 91.74 50.06 -63.66 -42.11 0.25 0.00 99.75 0.03 0.01 0.17 99.75 0.04 0.00 0.00 0.00 61 T H H 73.14 3.11 24.37 26.58 91.89 50.03 -64.61 -41.65 0.20 0.00 99.80 0.02 0.01 0.13 99.80 0.04 0.00 0.00 0.00 62 R H H 89.27 9.69 23.18 32.86 91.96 49.26 -65.14 -41.65 0.30 0.00 99.70 0.02 0.01 0.22 99.69 0.05 0.00 0.00 0.00 63 I H H 9.28 22.81 18.70 41.37 91.74 49.10 -64.57 -42.98 0.22 0.00 99.78 0.02 0.01 0.15 99.79 0.03 0.00 0.00 0.00 64 N H H 63.30 9.87 23.25 33.25 91.42 50.69 -62.93 -41.88 0.21 0.00 99.79 0.02 0.01 0.12 99.82 0.03 0.00 0.00 0.00 65 A H H 46.63 3.35 24.73 27.62 91.25 50.24 -63.47 -42.06 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 66 A H H 13.20 13.19 19.37 34.06 91.71 50.56 -64.15 -42.41 0.13 0.00 99.87 0.01 0.00 0.08 99.87 0.04 0.00 0.00 0.00 67 A H H 8.45 17.59 14.62 33.19 91.43 51.29 -63.32 -41.89 0.25 0.00 99.75 0.02 0.01 0.16 99.73 0.08 0.00 0.00 0.00 68 R H H 160.59 2.16 19.49 21.82 91.89 50.44 -63.62 -40.94 0.64 0.00 99.36 0.04 0.02 0.49 99.14 0.30 0.00 0.00 0.00 69 M H H 124.04 3.03 17.30 21.05 91.41 51.89 -66.24 -31.50 4.73 0.00 95.27 0.09 0.12 4.64 94.71 0.44 0.00 0.00 0.00 70 N C T 66.34 10.20 13.30 24.61 95.07 44.34 -94.46 2.99 66.35 0.01 33.64 0.24 0.82 65.30 33.01 0.61 0.00 0.00 0.01 71 G C T 62.69 0.93 19.33 18.51 94.40 -112.23 74.87 19.30 99.92 0.00 0.08 0.85 0.97 98.14 0.03 0.01 0.00 0.00 0.00 72 L C C 34.49 16.39 9.74 26.07 123.02 135.07 -106.25 144.99 99.70 0.26 0.04 96.32 3.29 0.07 0.02 0.01 0.00 0.06 0.23 73 S C C 58.69 2.79 22.96 24.39 119.58 -122.82 -80.32 155.91 99.76 0.17 0.07 99.52 0.26 0.04 0.04 0.00 0.00 0.04 0.10 74 Y H H 73.37 18.23 12.96 30.40 91.94 -116.01 -59.10 -38.41 1.89 0.00 98.10 0.40 0.26 0.95 98.00 0.38 0.00 0.00 0.00 75 S H H 71.90 2.88 20.75 23.70 91.42 55.55 -63.30 -39.83 0.68 0.00 99.32 0.07 0.04 0.44 98.96 0.48 0.00 0.00 0.00 76 R H H 115.69 5.57 21.62 27.56 91.94 49.47 -65.70 -40.39 0.20 0.00 99.80 0.02 0.01 0.12 99.44 0.41 0.00 0.00 0.00 77 L H H 6.49 23.69 15.61 39.33 91.86 50.09 -64.14 -43.36 0.20 0.00 99.80 0.02 0.01 0.11 99.71 0.15 0.00 0.00 0.00 78 M H H 52.45 14.16 20.66 34.51 91.86 49.91 -63.78 -42.41 0.26 0.00 99.74 0.02 0.01 0.17 99.75 0.05 0.00 0.00 0.00 79 H H H 101.59 2.70 24.78 26.26 91.74 50.71 -63.91 -41.88 0.26 0.00 99.74 0.02 0.01 0.18 99.74 0.05 0.00 0.00 0.00 80 G H H 9.65 13.25 19.05 33.67 91.79 51.15 -63.48 -42.62 0.35 0.00 99.65 0.03 0.01 0.24 99.63 0.09 0.00 0.00 0.00 81 L H H 9.98 21.21 15.00 36.33 92.04 50.32 -64.18 -41.81 0.38 0.00 99.62 0.03 0.02 0.26 99.46 0.22 0.00 0.00 0.00 82 K H H 129.39 4.07 19.49 24.76 91.52 50.62 -63.08 -40.51 0.64 0.00 99.35 0.04 0.03 0.50 98.98 0.46 0.00 0.00 0.00 83 L H H 107.28 3.95 18.14 22.78 90.87 53.91 -65.51 -30.11 5.53 0.00 94.47 0.09 0.14 5.50 93.67 0.59 0.00 0.00 0.00 84 S C T 34.28 13.66 13.81 28.14 93.44 50.67 -88.11 0.63 73.83 0.01 26.16 0.21 0.71 73.25 25.19 0.62 0.00 0.00 0.01 85 G C T 56.45 1.85 21.03 22.19 94.50 -113.07 77.73 17.93 99.86 0.00 0.13 0.84 0.67 98.42 0.05 0.02 0.00 0.00 0.00 86 I C C 27.65 19.47 10.57 29.58 113.95 141.68 -99.03 123.08 98.00 1.83 0.18 96.28 1.77 0.23 0.07 0.06 0.00 1.08 0.52 87 E C C 135.23 2.60 22.91 25.40 110.49 -145.76 -93.89 115.38 96.81 3.00 0.19 94.16 2.62 0.40 0.08 0.07 0.00 1.95 0.71 88 V C C 19.38 22.38 10.68 32.11 126.23 164.73 -119.12 140.34 96.25 3.59 0.16 89.77 6.94 0.17 0.10 0.04 0.00 1.61 1.36 89 N C C 79.47 4.06 23.18 26.47 120.36 -126.15 -83.92 159.89 99.29 0.50 0.21 98.65 0.72 0.10 0.15 0.02 0.00 0.19 0.18 90 R H H 106.94 14.61 14.65 28.86 91.79 -109.22 -59.54 -37.46 1.40 0.00 98.59 0.20 0.18 0.79 98.59 0.24 0.00 0.00 0.00 91 K H H 127.05 3.92 20.59 25.23 91.74 53.90 -63.86 -40.64 0.68 0.00 99.32 0.05 0.05 0.47 99.12 0.30 0.00 0.00 0.00 92 M H H 59.22 10.07 20.81 31.42 92.12 48.97 -65.62 -41.56 0.36 0.00 99.63 0.04 0.02 0.24 99.36 0.34 0.00 0.00 0.00 93 L H H 8.34 22.77 17.85 40.43 91.44 50.44 -63.47 -42.78 0.16 0.00 99.84 0.01 0.01 0.09 99.82 0.06 0.00 0.00 0.00 94 A H H 18.30 15.12 20.57 36.11 91.57 51.40 -63.23 -41.76 0.30 0.00 99.70 0.03 0.01 0.17 99.73 0.05 0.00 0.00 0.00 95 D H H 69.94 4.91 25.61 30.68 91.60 50.29 -64.41 -41.18 0.66 0.00 99.34 0.04 0.03 0.47 99.37 0.09 0.00 0.00 0.00 96 L H H 19.22 15.46 20.61 36.70 91.80 50.46 -64.33 -41.76 0.63 0.00 99.37 0.04 0.04 0.43 99.28 0.20 0.00 0.00 0.00 97 A H H 9.34 20.73 17.10 37.77 91.92 51.69 -65.44 -36.62 1.51 0.00 98.48 0.14 0.09 1.13 98.13 0.50 0.00 0.00 0.00 98 V H H 71.57 9.81 20.30 30.16 94.64 49.04 -75.00 -33.45 6.61 0.00 93.38 0.13 0.23 6.36 92.73 0.54 0.00 0.00 0.00 99 N H H 100.38 3.74 19.90 24.05 100.75 31.84 -96.97 -23.80 14.95 0.03 85.02 0.36 1.55 12.71 84.94 0.38 0.02 0.01 0.02 100 D C C 60.56 8.82 16.93 26.75 116.49 15.08 -139.56 96.83 99.17 0.12 0.71 94.48 4.13 0.54 0.65 0.06 0.00 0.03 0.10 101 L H H 69.07 14.70 14.38 29.09 93.91 -166.36 -63.04 -35.18 2.23 0.00 97.76 0.22 0.16 1.61 96.98 1.03 0.00 0.00 0.00 102 T H H 89.41 2.41 23.47 25.34 91.65 55.42 -63.92 -39.97 1.09 0.00 98.91 0.06 0.05 0.89 97.98 1.02 0.00 0.00 0.00 103 A H H 16.29 11.68 19.33 32.67 91.42 51.43 -64.00 -41.57 0.28 0.00 99.72 0.02 0.01 0.19 98.99 0.78 0.00 0.00 0.00 104 F H H 7.85 24.19 16.46 40.62 91.61 50.63 -63.69 -42.76 0.15 0.00 99.85 0.02 0.01 0.09 99.74 0.15 0.00 0.00 0.00 105 N H H 65.90 8.77 23.55 32.49 91.45 51.18 -63.53 -41.85 0.14 0.00 99.86 0.01 0.00 0.09 99.85 0.04 0.00 0.00 0.00 106 Q H H 98.13 3.11 26.20 28.59 91.65 50.42 -64.32 -42.07 0.13 0.00 99.87 0.01 0.00 0.08 99.87 0.03 0.00 0.00 0.00 107 L H H 13.57 19.04 20.95 39.90 91.58 49.09 -64.65 -42.97 0.11 0.00 99.89 0.01 0.00 0.07 99.89 0.03 0.00 0.00 0.00 108 A H H 10.57 19.59 19.55 39.13 91.31 50.74 -62.58 -42.87 0.12 0.00 99.88 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 109 D H H 87.44 2.73 25.99 27.97 91.54 49.96 -63.93 -41.40 0.21 0.00 99.79 0.02 0.01 0.13 99.82 0.03 0.00 0.00 0.00 110 A H H 40.71 6.31 23.22 30.11 91.69 49.42 -64.42 -41.84 0.21 0.00 99.79 0.02 0.01 0.13 99.81 0.03 0.00 0.00 0.00 111 A H H 6.06 20.18 15.73 36.58 91.64 50.80 -64.10 -42.37 0.33 0.00 99.67 0.03 0.02 0.20 99.68 0.07 0.00 0.00 0.00 112 K H H 91.44 9.15 19.80 29.31 91.69 51.44 -63.25 -41.23 0.76 0.00 99.24 0.09 0.04 0.50 99.18 0.20 0.00 0.00 0.00 113 A H H 61.99 1.92 20.42 20.83 91.96 50.61 -64.40 -40.58 2.22 0.00 97.78 0.20 0.13 1.62 97.59 0.45 0.00 0.00 0.00 114 Q H H 79.28 7.65 15.76 24.59 92.47 50.51 -67.08 -37.50 7.08 0.01 92.91 0.64 0.47 5.42 92.59 0.86 0.00 0.00 0.00 115 L H H 53.99 14.07 11.15 25.19 93.05 53.12 -70.09 -29.25 22.12 0.07 77.81 2.66 2.11 16.63 77.29 1.23 0.02 0.02 0.05 116 N C H 121.24 1.91 13.54 16.17 96.81 55.35 -80.88 -6.78 56.51 0.18 43.30 19.41 1.50 32.17 45.55 1.19 0.00 0.06 0.13 117 K C C 141.46 2.88 12.32 16.71 103.03 84.92 -81.28 30.83 99.95 0.01 0.04 99.79 0.06 0.10 0.03 0.00 0.00 0.00 0.00