# 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 83.49 5.65 13.39 20.55 113.87 -118.23 -71.56 144.18 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 163.53 3.44 11.12 16.55 113.35 -134.48 -91.06 130.95 92.08 5.55 2.38 89.60 1.59 1.46 1.39 0.60 0.00 2.62 2.75 2 V C C 84.10 7.62 8.87 17.86 115.44 -149.65 -96.15 131.36 88.77 6.71 4.52 78.32 7.29 3.04 3.06 1.46 0.00 4.33 2.49 3 K C C 150.02 2.34 13.13 16.83 112.99 -146.27 -86.24 132.17 85.60 5.04 9.36 60.63 12.77 11.79 7.35 2.53 0.00 3.43 1.50 4 G C C 45.57 5.97 12.16 19.24 108.85 24.27 76.36 -4.99 82.65 1.59 15.75 41.98 21.30 19.11 12.99 3.13 0.01 0.73 0.74 5 G C C 35.94 6.69 12.10 20.09 114.68 113.94 63.95 -161.20 62.77 0.93 36.30 34.98 17.21 10.17 33.84 2.97 0.01 0.35 0.46 6 T H H 96.33 2.54 14.63 17.55 95.96 -50.75 -69.13 -32.08 25.78 0.70 73.53 13.97 6.53 7.01 69.42 2.48 0.02 0.32 0.26 7 V H H 78.53 4.58 15.46 20.92 94.43 52.04 -68.35 -38.62 15.37 0.57 84.06 9.12 3.07 4.42 80.85 2.06 0.01 0.31 0.15 8 T H H 40.26 10.86 13.60 25.53 94.16 51.62 -66.95 -41.14 10.30 0.32 89.38 6.87 1.64 2.68 86.98 1.57 0.01 0.18 0.08 9 R H H 118.69 5.69 16.80 23.54 92.72 52.10 -65.14 -40.97 4.55 0.07 95.38 2.36 0.72 1.60 94.43 0.84 0.00 0.04 0.02 10 A H H 57.48 2.67 18.73 21.05 92.19 50.60 -64.82 -41.30 2.64 0.03 97.33 1.13 0.34 1.07 96.91 0.52 0.00 0.01 0.01 11 R H H 96.66 7.89 17.63 26.35 92.27 49.49 -65.77 -40.72 2.04 0.02 97.94 0.76 0.24 0.91 97.66 0.42 0.00 0.01 0.01 12 R H H 74.60 14.08 15.80 29.75 91.95 51.41 -63.51 -41.38 1.57 0.01 98.43 0.51 0.17 0.73 98.30 0.29 0.00 0.00 0.00 13 K H H 114.01 3.62 20.43 24.24 91.97 50.52 -64.48 -40.55 1.44 0.01 98.55 0.42 0.14 0.70 98.50 0.23 0.00 0.00 0.00 14 K H H 108.63 3.12 21.01 23.60 91.91 49.91 -65.07 -41.01 1.83 0.01 98.15 0.48 0.18 0.97 98.09 0.27 0.00 0.00 0.00 15 T H H 23.91 14.28 16.38 31.45 92.16 49.71 -64.80 -42.49 1.62 0.01 98.37 0.40 0.17 0.92 98.05 0.44 0.00 0.00 0.00 16 I H H 50.34 12.43 16.80 29.88 91.93 50.45 -63.95 -40.48 1.56 0.01 98.43 0.33 0.16 0.97 97.37 1.16 0.00 0.01 0.00 17 K H H 130.76 1.93 21.55 22.39 91.94 51.38 -64.79 -39.56 4.34 0.02 95.64 0.48 0.31 3.35 93.44 2.39 0.01 0.01 0.01 18 L H H 80.37 6.15 18.03 24.98 92.41 50.00 -68.70 -33.55 10.66 0.02 89.32 0.62 0.73 9.05 86.71 2.84 0.02 0.01 0.01 19 A H H 16.97 18.07 11.22 29.01 94.58 54.64 -78.69 -15.06 32.91 0.15 66.94 5.33 4.18 23.54 59.49 7.23 0.05 0.06 0.12 20 K C T 138.05 4.47 15.86 22.35 100.19 105.75 -64.19 40.33 59.95 0.20 39.85 3.59 3.61 51.69 18.84 21.95 0.01 0.10 0.20 21 G C T 59.45 1.50 16.73 17.88 97.78 33.73 13.36 -2.02 67.69 0.22 32.08 5.22 5.47 56.21 9.92 22.87 0.00 0.11 0.19 22 Y C C 102.25 10.98 10.95 22.48 108.62 94.54 -92.00 93.10 76.66 1.73 21.60 50.97 11.46 13.50 5.34 16.90 0.00 0.88 0.95 23 F C C 129.45 5.57 12.68 19.93 118.05 132.62 -103.75 137.15 88.94 5.20 5.86 65.29 11.57 11.83 2.80 2.87 0.00 2.42 3.22 24 G C C 42.90 4.65 13.36 19.59 127.30 78.39 119.21 -169.50 92.93 3.42 3.65 46.54 30.89 15.87 1.13 2.38 0.00 1.83 1.35 25 S C C 68.81 3.39 13.55 17.92 116.99 -68.63 -88.98 149.82 93.82 2.64 3.54 69.72 18.05 5.98 1.60 1.85 0.00 1.21 1.58 26 K C H 139.26 4.48 11.09 17.47 95.62 -121.73 -66.96 -28.41 54.04 0.89 45.08 17.06 17.98 20.17 30.06 13.71 0.06 0.36 0.60 27 H H H 147.01 1.55 13.51 15.22 95.23 60.22 -73.48 -25.51 47.50 0.36 52.14 7.15 10.02 29.69 37.11 15.53 0.07 0.16 0.27 28 T H H 72.35 4.14 13.80 19.08 100.58 46.29 -85.18 -17.75 43.27 0.95 55.79 15.03 7.14 21.28 40.52 14.96 0.07 0.47 0.52 29 L H H 54.57 10.34 12.30 23.89 94.33 71.46 -66.48 -38.73 19.41 0.53 80.06 13.15 3.73 3.81 76.59 2.27 0.01 0.22 0.20 30 Y H H 106.46 8.08 15.54 24.53 92.85 53.24 -65.26 -41.28 3.97 0.06 95.97 1.78 0.61 1.47 95.40 0.70 0.00 0.03 0.01 31 K H H 124.04 2.04 19.76 20.89 92.53 49.46 -65.52 -41.22 1.95 0.02 98.03 0.71 0.23 0.88 97.62 0.54 0.00 0.01 0.00 32 V H H 58.37 5.48 18.71 25.25 92.41 48.90 -65.29 -41.71 1.13 0.01 98.86 0.35 0.12 0.54 98.67 0.30 0.00 0.00 0.00 33 A H H 15.44 14.20 14.70 30.31 91.87 51.18 -63.54 -42.17 0.72 0.00 99.28 0.21 0.06 0.33 99.25 0.14 0.00 0.00 0.00 34 K H H 98.86 6.39 19.74 26.66 91.68 50.61 -64.10 -40.96 0.43 0.00 99.57 0.09 0.03 0.22 99.59 0.07 0.00 0.00 0.00 35 Q H H 98.30 2.51 21.36 22.91 92.02 49.71 -64.71 -41.32 0.22 0.00 99.78 0.03 0.01 0.12 99.80 0.05 0.00 0.00 0.00 36 Q H H 71.38 7.78 18.80 27.46 92.28 49.54 -65.55 -40.79 0.21 0.00 99.79 0.03 0.01 0.12 99.79 0.05 0.00 0.00 0.00 37 V H H 43.52 12.01 16.64 29.37 92.41 49.68 -64.69 -41.96 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 96.92 4.00 20.02 23.97 91.99 49.44 -64.36 -41.37 0.75 0.00 99.24 0.10 0.04 0.47 99.29 0.10 0.00 0.00 0.00 39 K H H 114.86 2.60 20.29 22.39 92.22 48.95 -65.29 -41.31 1.40 0.00 98.59 0.17 0.09 0.91 98.68 0.15 0.00 0.00 0.00 40 S H H 37.05 8.33 16.86 26.46 92.24 50.46 -64.71 -40.69 1.37 0.00 98.63 0.19 0.10 0.84 98.67 0.20 0.00 0.00 0.00 41 G H H 28.73 7.59 17.52 25.88 92.55 50.68 -64.40 -41.04 1.55 0.00 98.45 0.21 0.10 0.99 98.43 0.26 0.00 0.00 0.00 42 Q H H 98.64 2.87 19.54 22.03 92.24 50.39 -65.23 -41.31 1.07 0.00 98.93 0.17 0.08 0.64 98.88 0.23 0.00 0.00 0.00 43 Y H H 112.05 3.71 19.04 22.93 92.31 49.49 -65.15 -41.31 0.85 0.00 99.14 0.14 0.07 0.50 99.06 0.24 0.00 0.00 0.00 44 A H H 35.22 8.08 15.87 25.23 92.25 51.15 -64.28 -41.53 1.14 0.00 98.85 0.18 0.08 0.69 98.80 0.25 0.00 0.00 0.00 45 F H H 101.99 4.59 18.00 22.92 92.16 49.76 -64.96 -41.24 1.46 0.00 98.54 0.22 0.11 0.93 98.43 0.31 0.00 0.00 0.00 46 R H H 127.81 2.23 18.96 20.50 92.13 49.91 -64.87 -41.48 1.99 0.00 98.01 0.31 0.16 1.28 97.98 0.27 0.00 0.00 0.00 47 D H H 61.89 4.86 16.78 22.58 92.50 49.64 -65.95 -40.20 3.83 0.01 96.16 0.68 0.29 2.39 96.34 0.29 0.00 0.00 0.00 48 R H H 101.27 7.18 16.15 23.94 92.14 51.03 -64.50 -40.89 1.26 0.00 98.74 0.25 0.12 0.67 98.77 0.19 0.00 0.00 0.00 49 R H H 128.67 2.84 17.76 20.71 92.18 50.24 -65.01 -40.97 0.96 0.00 99.04 0.16 0.07 0.54 99.05 0.17 0.00 0.00 0.00 50 Q H H 95.35 2.53 18.00 20.23 92.09 49.55 -65.08 -40.96 1.00 0.00 99.00 0.18 0.08 0.56 99.01 0.17 0.00 0.00 0.00 51 R H H 111.38 5.54 16.88 22.99 92.05 50.03 -64.78 -41.05 0.82 0.00 99.18 0.15 0.06 0.43 99.24 0.12 0.00 0.00 0.00 52 K H H 94.13 6.79 16.76 24.34 92.02 50.44 -64.34 -40.86 0.69 0.00 99.31 0.11 0.04 0.38 99.35 0.11 0.00 0.00 0.00 53 R H H 123.42 2.90 18.54 21.39 92.04 50.42 -64.72 -41.34 0.52 0.00 99.48 0.07 0.03 0.29 99.51 0.09 0.00 0.00 0.00 54 D H H 74.19 3.34 19.07 22.26 91.93 49.47 -65.09 -41.18 0.55 0.00 99.45 0.08 0.03 0.31 99.50 0.08 0.00 0.00 0.00 55 F H H 71.81 9.17 17.17 27.26 92.26 50.09 -64.45 -41.52 0.36 0.00 99.64 0.04 0.02 0.21 99.66 0.06 0.00 0.00 0.00 56 R H H 96.11 10.55 17.79 28.65 91.89 51.59 -63.70 -41.31 0.25 0.00 99.75 0.03 0.01 0.15 99.77 0.04 0.00 0.00 0.00 57 K H H 117.38 3.11 20.81 23.70 91.95 50.20 -64.83 -41.14 0.23 0.00 99.77 0.02 0.01 0.15 99.78 0.04 0.00 0.00 0.00 58 L H H 73.71 5.25 20.89 26.43 91.98 49.62 -64.79 -41.74 0.16 0.00 99.84 0.01 0.01 0.11 99.83 0.04 0.00 0.00 0.00 59 W H H 41.33 16.48 18.12 34.64 92.02 49.90 -64.37 -42.34 0.16 0.00 99.84 0.01 0.01 0.11 99.84 0.03 0.00 0.00 0.00 60 I H H 49.14 13.02 19.83 33.05 91.72 50.03 -63.62 -42.13 0.15 0.00 99.85 0.02 0.01 0.10 99.85 0.03 0.00 0.00 0.00 61 T H H 73.83 3.01 24.34 26.34 91.94 49.90 -64.64 -41.66 0.15 0.00 99.85 0.01 0.01 0.11 99.84 0.04 0.00 0.00 0.00 62 R H H 87.40 10.03 22.98 32.97 92.10 49.09 -65.36 -41.64 0.28 0.00 99.72 0.02 0.01 0.21 99.71 0.04 0.00 0.00 0.00 63 I H H 8.29 23.20 18.41 41.50 91.63 49.03 -64.50 -43.05 0.23 0.00 99.77 0.02 0.01 0.16 99.77 0.03 0.00 0.00 0.00 64 N H H 64.74 9.54 23.30 32.99 91.44 51.00 -63.02 -41.71 0.27 0.00 99.73 0.03 0.01 0.15 99.77 0.04 0.00 0.00 0.00 65 A H H 46.27 3.32 24.52 27.37 91.29 50.52 -63.48 -42.04 0.20 0.00 99.80 0.01 0.01 0.12 99.80 0.05 0.00 0.00 0.00 66 A H H 11.88 13.40 19.01 34.00 91.77 50.50 -64.25 -42.27 0.21 0.00 99.79 0.01 0.01 0.14 99.77 0.08 0.00 0.00 0.00 67 A H H 8.54 17.35 14.45 32.82 91.57 51.31 -63.37 -41.84 0.46 0.00 99.54 0.04 0.02 0.30 99.43 0.20 0.00 0.00 0.00 68 R H H 159.53 2.09 19.44 21.55 91.93 50.01 -64.10 -40.52 1.19 0.00 98.81 0.07 0.04 0.95 98.42 0.51 0.00 0.00 0.00 69 Q H H 118.78 2.96 17.28 20.86 91.63 51.04 -66.83 -32.42 6.56 0.00 93.43 0.15 0.22 6.30 92.82 0.51 0.00 0.00 0.00 70 H C T 76.30 10.16 12.90 24.29 97.05 40.12 -99.89 7.30 80.17 0.01 19.82 0.42 1.44 77.41 20.12 0.60 0.00 0.00 0.01 71 E C T 165.29 0.82 18.26 17.56 93.50 -119.99 59.50 35.83 99.78 0.00 0.22 1.05 1.15 97.67 0.11 0.02 0.00 0.00 0.00 72 M C C 39.08 15.66 9.98 25.79 124.74 136.95 -113.72 146.16 99.67 0.26 0.08 95.18 4.35 0.12 0.05 0.01 0.00 0.07 0.23 73 S C C 60.15 2.68 22.79 24.02 118.14 -118.61 -79.81 154.09 99.72 0.19 0.09 99.52 0.23 0.04 0.05 0.01 0.00 0.04 0.11 74 Y H H 70.34 18.44 12.73 30.35 92.13 -120.05 -59.31 -38.55 1.61 0.00 98.39 0.31 0.21 0.82 98.30 0.35 0.00 0.00 0.00 75 S H H 72.28 2.81 20.71 23.59 91.43 56.13 -63.15 -39.90 0.59 0.00 99.41 0.06 0.04 0.39 99.04 0.47 0.00 0.00 0.00 76 R H H 116.63 5.23 21.64 27.19 91.96 49.47 -65.75 -40.44 0.19 0.00 99.81 0.02 0.01 0.11 99.44 0.42 0.00 0.00 0.00 77 L H H 6.15 23.68 15.59 39.33 91.70 49.68 -64.08 -43.38 0.20 0.00 99.80 0.02 0.01 0.11 99.71 0.14 0.00 0.00 0.00 78 M H H 50.35 14.26 20.61 34.61 91.70 49.94 -63.81 -42.21 0.25 0.00 99.75 0.02 0.01 0.16 99.77 0.05 0.00 0.00 0.00 79 N H H 80.07 2.66 24.64 26.02 91.67 50.30 -63.68 -41.84 0.27 0.00 99.73 0.02 0.01 0.18 99.74 0.04 0.00 0.00 0.00 80 G H H 9.26 13.13 19.05 33.60 91.91 51.14 -63.20 -42.58 0.33 0.00 99.67 0.02 0.01 0.23 99.66 0.08 0.00 0.00 0.00 81 L H H 9.38 21.61 14.82 36.50 91.86 50.08 -64.03 -42.14 0.33 0.00 99.67 0.03 0.02 0.22 99.56 0.17 0.00 0.00 0.00 82 K H H 130.12 4.03 19.43 24.70 91.38 50.54 -63.04 -40.74 0.58 0.00 99.42 0.03 0.02 0.44 99.11 0.39 0.00 0.00 0.00 83 K H H 138.84 2.58 18.54 21.56 90.76 53.41 -65.13 -30.84 5.20 0.00 94.80 0.08 0.12 5.18 94.07 0.53 0.00 0.00 0.00 84 A C T 32.67 13.89 13.54 28.08 93.09 51.42 -86.84 -1.81 71.67 0.01 28.32 0.19 0.66 71.13 27.38 0.62 0.00 0.00 0.01 85 G C T 57.10 1.70 21.25 22.00 94.69 -113.16 76.29 21.56 99.84 0.00 0.15 0.87 0.63 98.42 0.06 0.02 0.00 0.00 0.00 86 I C C 26.20 19.94 10.17 29.46 114.47 142.12 -98.74 123.83 97.70 2.11 0.19 95.86 1.88 0.26 0.08 0.07 0.00 1.31 0.55 87 D C C 109.45 2.19 22.86 24.57 109.25 -147.85 -94.12 108.78 96.17 3.62 0.20 93.20 2.87 0.50 0.08 0.09 0.00 2.46 0.80 88 I C C 23.70 22.19 10.15 31.21 124.86 166.50 -117.35 138.82 95.47 4.35 0.17 89.56 6.43 0.18 0.11 0.05 0.00 1.99 1.67 89 N C C 82.44 3.57 22.71 25.42 119.68 -126.91 -83.44 158.45 99.23 0.56 0.21 98.59 0.74 0.10 0.15 0.02 0.00 0.21 0.19 90 R H H 113.12 13.62 14.15 27.61 91.68 -111.26 -59.48 -37.62 1.78 0.00 98.22 0.24 0.25 1.04 98.09 0.38 0.00 0.00 0.00 91 K H H 131.39 3.10 20.07 23.70 91.80 53.58 -64.02 -40.59 1.01 0.00 98.98 0.08 0.08 0.73 98.59 0.51 0.00 0.00 0.00 92 M H H 59.26 9.73 20.08 30.52 92.19 48.79 -65.73 -41.27 0.61 0.00 99.39 0.07 0.04 0.40 98.88 0.61 0.00 0.00 0.00 93 L H H 8.25 22.69 17.04 39.61 91.41 50.63 -63.34 -42.75 0.25 0.00 99.75 0.03 0.02 0.13 99.73 0.10 0.00 0.00 0.00 94 S H H 22.23 14.30 20.33 35.01 91.64 51.59 -63.41 -41.37 0.36 0.00 99.64 0.04 0.02 0.21 99.66 0.07 0.00 0.00 0.00 95 E H H 93.65 4.43 25.24 29.61 91.67 50.33 -64.56 -41.20 0.54 0.00 99.46 0.04 0.03 0.36 99.46 0.11 0.00 0.00 0.00 96 I H H 19.62 15.59 20.41 36.59 91.85 50.33 -64.46 -42.31 0.53 0.00 99.46 0.04 0.04 0.36 99.36 0.20 0.00 0.00 0.00 97 A H H 9.12 20.87 16.91 37.69 91.79 51.37 -65.00 -37.29 1.49 0.00 98.51 0.15 0.09 1.11 98.13 0.52 0.00 0.00 0.00 98 I H H 82.79 9.47 20.46 29.98 94.36 47.48 -75.58 -31.26 7.02 0.00 92.97 0.13 0.24 6.79 92.32 0.51 0.00 0.00 0.00 99 S H H 68.95 4.37 19.83 24.63 100.99 32.92 -98.98 -19.43 17.41 0.03 82.55 0.50 1.75 14.70 82.59 0.42 0.02 0.01 0.02 100 D C C 56.08 10.25 15.90 26.95 116.90 21.47 -136.41 98.48 99.07 0.13 0.79 96.19 2.57 0.33 0.73 0.06 0.00 0.04 0.10 101 E H H 94.36 12.05 15.08 27.59 93.90 -174.69 -63.76 -35.28 1.84 0.00 98.16 0.21 0.16 1.23 97.73 0.67 0.00 0.00 0.00 102 K H H 135.56 2.24 22.71 24.63 91.74 54.86 -63.89 -39.71 0.76 0.00 99.24 0.05 0.04 0.59 98.69 0.63 0.00 0.00 0.00 103 A H H 14.73 12.67 18.87 33.09 91.33 50.87 -63.94 -42.12 0.24 0.00 99.76 0.02 0.01 0.15 99.29 0.53 0.00 0.00 0.00 104 F H H 10.17 23.37 17.19 40.37 91.75 50.34 -63.48 -42.51 0.16 0.00 99.84 0.02 0.01 0.09 99.73 0.14 0.00 0.00 0.00 105 A H H 36.89 8.60 23.02 32.25 91.40 51.26 -63.13 -41.65 0.16 0.00 99.84 0.01 0.00 0.10 99.84 0.04 0.00 0.00 0.00 106 Q H H 93.98 3.47 25.95 28.82 91.59 50.52 -64.53 -41.57 0.17 0.00 99.83 0.01 0.00 0.12 99.83 0.04 0.00 0.00 0.00 107 L H H 10.55 19.72 20.22 40.04 91.60 49.82 -64.30 -43.21 0.15 0.00 99.85 0.01 0.00 0.09 99.85 0.04 0.00 0.00 0.00 108 V H H 17.55 19.12 19.48 38.51 91.65 50.19 -63.34 -42.94 0.16 0.00 99.84 0.02 0.01 0.08 99.86 0.03 0.00 0.00 0.00 109 T H H 73.59 3.28 24.43 26.83 91.57 50.18 -63.81 -42.46 0.32 0.00 99.68 0.04 0.01 0.19 99.72 0.04 0.00 0.00 0.00 110 K H H 92.35 5.15 22.46 27.76 91.83 48.99 -65.02 -41.49 0.36 0.00 99.64 0.03 0.02 0.23 99.65 0.07 0.00 0.00 0.00 111 A H H 7.58 19.43 13.82 33.74 91.83 50.50 -64.46 -41.34 0.69 0.00 99.31 0.07 0.04 0.43 99.24 0.21 0.00 0.00 0.00 112 K H H 102.01 9.51 16.80 26.86 91.67 52.48 -63.22 -39.63 2.64 0.00 97.36 0.20 0.14 2.02 96.83 0.80 0.00 0.00 0.00 113 D H H 117.62 1.06 17.84 17.60 92.25 51.02 -68.20 -28.81 13.14 0.01 86.85 0.51 0.50 11.71 86.24 1.03 0.00 0.00 0.01 114 A H H 58.69 7.09 13.49 21.80 94.52 53.53 -77.82 -18.57 39.98 0.04 59.98 6.27 0.72 30.26 61.67 1.04 0.00 0.01 0.03 115 L C C 66.34 15.33 11.62 25.85 102.78 77.69 -76.51 52.66 99.85 0.02 0.12 99.59 0.11 0.18 0.10 0.01 0.00 0.01 0.01