# 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 83.46 11.48 15.49 26.99 109.56 -166.20 -88.10 111.87 99.93 0.04 0.03 99.85 0.06 0.05 0.01 0.00 0.00 0.02 0.01 1 G C C 36.38 8.69 14.41 23.70 112.16 84.77 -71.42 -84.30 84.01 1.96 14.03 74.64 1.74 6.86 13.56 1.32 0.00 0.98 0.90 2 F C C 121.57 5.99 13.07 20.05 104.39 7.78 -81.64 -0.59 67.52 3.84 28.64 45.67 11.23 10.07 26.84 2.76 0.02 1.85 1.56 3 H C H 98.46 6.62 14.90 22.45 105.87 139.08 -81.63 74.06 51.66 3.38 44.96 38.29 7.49 6.00 43.23 2.17 0.01 1.58 1.23 4 F H H 69.46 14.54 13.82 28.03 94.86 -139.84 -66.14 -38.62 8.86 0.21 90.93 4.90 1.61 2.94 88.83 1.53 0.01 0.11 0.07 5 Q H H 87.17 8.84 17.04 26.24 93.07 54.59 -64.79 -39.66 3.29 0.07 96.64 1.43 0.49 1.49 95.30 1.23 0.00 0.04 0.02 6 Q H H 96.78 4.01 19.79 23.87 92.75 50.78 -66.78 -39.77 1.82 0.06 98.12 0.77 0.26 0.88 97.00 1.04 0.00 0.04 0.01 7 Y H H 58.05 12.71 18.26 31.43 92.58 50.06 -65.58 -42.55 1.19 0.05 98.76 0.48 0.16 0.60 98.11 0.61 0.00 0.03 0.01 8 I H H 34.18 16.53 18.30 34.74 92.29 49.75 -64.51 -42.29 0.96 0.03 99.01 0.35 0.11 0.50 98.61 0.42 0.00 0.02 0.00 9 A H H 47.16 6.42 21.43 28.45 91.77 51.43 -63.66 -41.41 1.56 0.01 98.43 0.32 0.13 1.02 97.97 0.56 0.00 0.01 0.00 10 M H H 77.24 6.03 22.35 28.64 91.99 49.83 -65.29 -40.78 3.04 0.01 96.95 0.41 0.23 2.23 95.95 1.17 0.01 0.01 0.00 11 A H H 19.99 16.37 18.20 34.93 92.06 51.45 -65.40 -39.39 3.84 0.01 96.15 0.43 0.27 2.80 92.63 3.86 0.00 0.00 0.00 12 G H H 20.01 15.24 17.14 32.36 91.69 55.40 -67.35 -29.58 10.44 0.03 89.54 0.79 0.59 8.29 80.82 9.46 0.01 0.01 0.01 13 R H H 153.38 3.43 21.18 25.16 92.60 57.42 -73.16 -21.56 28.84 0.07 71.10 1.20 1.50 25.39 62.34 9.46 0.04 0.03 0.05 14 A H H 54.67 9.08 18.17 27.73 95.92 54.80 -85.87 -11.42 49.81 0.26 49.93 3.86 4.65 40.03 43.60 7.51 0.06 0.11 0.18 15 I C S 32.53 19.08 11.53 30.11 120.21 84.55 -97.79 138.25 88.24 4.03 7.72 31.40 51.75 3.86 7.36 0.82 0.01 0.77 4.04 16 N C C 82.23 4.52 20.90 25.30 113.31 -117.42 -79.00 135.33 99.74 0.13 0.13 98.61 1.12 0.06 0.11 0.01 0.00 0.03 0.06 17 P H H 62.77 13.03 12.73 26.12 92.04 -122.50 -58.60 -35.22 3.64 0.01 96.36 0.70 0.39 2.24 96.05 0.61 0.00 0.00 0.00 18 V H H 100.04 1.96 18.70 20.05 92.21 53.72 -64.86 -39.73 1.24 0.00 98.76 0.11 0.08 0.92 98.39 0.50 0.00 0.00 0.00 19 Q H H 75.86 5.91 18.21 25.05 92.29 49.23 -66.41 -40.47 0.41 0.00 99.59 0.06 0.03 0.26 99.22 0.43 0.00 0.00 0.00 20 W H H 25.54 19.51 13.47 32.94 92.05 50.07 -65.23 -42.06 0.18 0.00 99.82 0.02 0.01 0.10 99.75 0.12 0.00 0.00 0.00 21 T H H 51.24 9.24 18.09 28.29 91.75 51.06 -63.26 -41.81 0.15 0.00 99.85 0.02 0.01 0.09 99.85 0.04 0.00 0.00 0.00 22 R H H 128.86 1.83 21.96 21.88 91.68 50.09 -64.56 -41.14 0.22 0.00 99.78 0.01 0.01 0.16 99.77 0.04 0.00 0.00 0.00 23 A H H 18.77 11.31 16.86 29.98 91.93 50.10 -64.55 -41.69 0.36 0.00 99.64 0.02 0.01 0.27 99.58 0.11 0.00 0.00 0.00 24 W H H 40.56 18.51 13.91 32.13 92.13 50.55 -64.39 -39.99 0.58 0.00 99.42 0.03 0.02 0.44 99.05 0.46 0.00 0.00 0.00 25 R H H 148.98 3.04 18.22 22.05 91.23 52.82 -63.54 -38.14 2.06 0.00 97.94 0.05 0.05 1.92 95.63 2.34 0.00 0.00 0.00 26 R H H 160.90 1.85 18.72 19.92 91.92 52.50 -70.85 -24.61 12.01 0.00 87.99 0.12 0.22 12.74 84.17 2.75 0.01 0.00 0.00 27 M C T 41.82 14.87 10.62 25.84 98.69 47.69 -101.04 4.13 55.62 0.06 44.32 3.31 2.56 48.83 42.01 3.21 0.01 0.02 0.07 28 E C T 119.90 6.57 12.28 21.16 110.41 129.45 -62.06 130.66 99.17 0.18 0.65 1.47 1.26 96.65 0.26 0.14 0.00 0.04 0.18 29 G C T 66.03 0.67 16.20 15.15 94.36 14.35 80.97 -0.08 99.82 0.02 0.16 0.56 2.53 96.80 0.02 0.07 0.00 0.01 0.00 30 K C C 77.29 10.22 10.56 22.00 121.83 122.95 -92.73 150.04 99.69 0.25 0.06 64.64 34.83 0.24 0.03 0.02 0.00 0.08 0.15 31 S C C 56.72 3.23 19.71 22.51 120.05 -114.70 -78.25 161.26 61.80 37.89 0.31 56.78 1.08 0.06 0.25 0.02 0.00 2.97 38.83 32 A H H 39.09 15.74 12.77 28.46 91.87 -108.15 -58.37 -38.79 2.62 0.00 97.38 0.39 0.35 1.67 96.46 1.11 0.00 0.00 0.00 33 T H H 75.80 4.53 18.66 23.77 91.82 54.78 -63.94 -39.94 1.04 0.00 98.96 0.13 0.08 0.71 97.98 1.11 0.00 0.00 0.00 34 E H H 91.53 3.55 20.39 23.90 91.74 50.39 -65.94 -40.29 0.37 0.00 99.62 0.07 0.03 0.22 98.53 1.15 0.00 0.00 0.00 35 V H H 14.82 17.13 15.56 33.41 92.13 50.63 -64.04 -43.08 0.27 0.00 99.73 0.05 0.02 0.14 99.59 0.20 0.00 0.00 0.00 36 Y H H 66.64 13.90 18.66 32.58 91.63 50.20 -63.21 -42.15 0.29 0.00 99.71 0.04 0.02 0.16 99.71 0.07 0.00 0.00 0.00 37 R H H 139.15 2.48 22.89 24.66 91.73 49.93 -64.30 -41.37 0.23 0.00 99.77 0.03 0.01 0.13 99.78 0.05 0.00 0.00 0.00 38 D H H 64.08 6.67 21.54 28.72 92.19 49.03 -65.68 -40.86 0.31 0.00 99.69 0.03 0.01 0.20 99.69 0.07 0.00 0.00 0.00 39 A H H 13.50 18.25 17.17 35.60 92.18 50.55 -64.64 -42.29 0.32 0.00 99.68 0.04 0.02 0.20 99.65 0.10 0.00 0.00 0.00 40 L H H 60.16 9.80 20.09 30.51 91.82 50.63 -63.66 -40.95 0.52 0.00 99.48 0.07 0.03 0.33 99.37 0.21 0.00 0.00 0.00 41 A H H 60.08 2.65 23.05 24.56 91.81 50.44 -64.54 -41.53 1.93 0.00 98.06 0.14 0.10 1.52 97.71 0.53 0.00 0.00 0.00 42 W H H 84.29 9.80 19.79 30.35 92.25 49.16 -66.14 -40.98 4.93 0.01 95.07 0.41 0.32 3.85 94.64 0.76 0.00 0.00 0.00 43 T H H 21.64 16.91 16.36 33.49 92.44 49.86 -65.80 -40.86 8.29 0.05 91.66 2.31 1.23 4.75 90.78 0.88 0.01 0.02 0.03 44 N H H 83.00 5.56 20.33 26.18 92.18 52.05 -64.39 -40.10 6.66 0.04 93.31 2.27 0.98 3.26 92.60 0.85 0.00 0.01 0.02 45 N H H 92.39 2.94 21.18 23.63 92.99 48.65 -67.25 -39.70 6.02 0.04 93.93 1.56 0.81 3.50 92.95 1.13 0.02 0.02 0.02 46 Q H H 55.72 11.91 18.05 30.37 92.75 49.87 -65.75 -41.21 5.84 0.05 94.11 1.63 0.74 3.41 92.83 1.33 0.02 0.03 0.02 47 F H H 62.74 12.57 17.52 30.54 92.69 49.06 -65.35 -41.45 3.88 0.05 96.06 1.42 0.57 1.95 94.71 1.30 0.01 0.03 0.02 48 A H H 52.96 4.34 19.80 24.50 91.90 51.24 -64.47 -40.41 4.34 0.06 95.60 1.26 0.51 2.48 93.61 2.08 0.01 0.04 0.02 49 Q H H 90.28 5.24 19.98 25.69 92.62 50.35 -66.42 -39.67 7.85 0.09 92.07 1.45 0.81 5.43 89.62 2.56 0.04 0.05 0.04 50 I H H 44.87 13.47 16.86 30.85 92.93 49.65 -66.36 -40.95 8.79 0.13 91.08 1.98 1.32 5.52 88.43 2.57 0.05 0.07 0.05 51 S H H 46.88 7.49 18.21 26.63 92.58 52.71 -65.03 -39.49 19.00 0.39 80.61 6.73 2.86 9.63 76.57 3.83 0.03 0.20 0.15 52 R H H 129.15 3.54 19.47 23.20 92.75 51.13 -67.55 -35.85 32.65 0.65 66.70 10.58 4.05 18.50 61.39 4.82 0.05 0.35 0.28 53 A H H 38.88 9.77 15.83 26.74 94.48 53.27 -70.43 -35.55 34.07 1.20 64.73 16.95 6.78 11.68 58.41 5.05 0.04 0.65 0.45 54 S H H 44.45 9.59 15.72 26.07 96.70 53.13 -73.63 -30.61 38.94 1.70 59.36 22.82 6.77 10.25 53.53 5.05 0.04 0.93 0.62 55 Q H H 102.03 4.05 17.63 22.17 95.01 57.36 -67.10 -33.30 39.71 1.31 58.98 22.08 6.93 11.38 53.35 5.05 0.03 0.71 0.47 56 Y H H 101.08 7.20 15.86 24.10 95.14 52.24 -72.82 -35.91 31.40 0.97 67.64 18.89 5.13 8.54 61.65 4.89 0.02 0.51 0.36 57 R H H 100.14 9.30 15.36 25.39 93.21 56.46 -65.79 -38.97 17.76 0.43 81.81 8.64 2.89 7.14 74.53 6.37 0.03 0.25 0.16 58 A H H 51.97 5.28 16.02 22.43 92.95 53.07 -65.96 -38.99 11.91 0.27 87.83 4.02 1.78 6.27 78.43 9.20 0.04 0.18 0.09 59 W H H 125.84 4.46 16.38 21.67 93.32 50.94 -66.67 -39.54 8.94 0.19 90.86 2.36 1.27 5.11 78.76 12.27 0.04 0.13 0.06 60 W H H 92.35 9.72 14.00 24.74 93.60 50.10 -68.99 -37.67 11.07 0.19 88.74 2.31 1.43 6.83 75.99 13.20 0.05 0.12 0.07 61 W H H 122.43 7.83 14.26 23.11 94.91 49.41 -77.61 -23.78 22.41 0.28 77.30 3.73 2.93 15.57 68.18 9.19 0.10 0.15 0.14 62 Q H H 115.73 3.38 15.03 19.17 97.52 54.16 -86.33 -14.67 46.87 0.55 52.58 9.87 12.69 26.01 46.09 4.63 0.10 0.20 0.40 63 N C C 67.65 6.83 11.28 20.03 113.20 73.46 -106.36 121.84 93.72 0.49 5.79 55.91 33.73 3.77 5.19 0.89 0.00 0.14 0.37 64 P H H 92.15 4.56 13.14 19.47 94.76 -144.12 -64.76 -24.48 49.51 0.34 50.15 15.03 7.11 28.00 41.95 7.51 0.02 0.15 0.22 65 L H H 104.40 3.63 14.19 18.85 94.89 56.91 -71.06 -30.43 40.40 0.30 59.31 6.74 5.07 28.53 52.19 7.08 0.07 0.14 0.19 66 G H H 26.08 7.31 14.62 23.56 95.73 56.38 -63.00 -40.10 29.22 0.34 70.44 13.16 4.21 12.57 62.54 7.15 0.02 0.17 0.18 67 M H H 83.52 6.68 16.09 23.95 93.08 51.70 -65.89 -38.25 8.15 0.10 91.74 3.66 1.21 3.41 88.40 3.21 0.01 0.06 0.04 68 G H H 28.49 7.36 16.18 24.94 92.25 53.02 -64.50 -40.39 4.07 0.11 95.82 1.52 0.56 2.03 93.05 2.71 0.01 0.09 0.02 69 L H H 78.80 6.05 17.25 24.34 92.58 50.63 -65.71 -40.55 2.36 0.15 97.49 0.86 0.33 1.23 94.73 2.67 0.01 0.16 0.02 70 V H H 71.54 5.39 17.92 24.11 92.37 49.32 -65.33 -42.13 2.36 0.23 97.41 0.70 0.30 1.38 95.08 2.26 0.02 0.24 0.03 71 L H H 70.23 7.26 17.38 25.76 92.27 49.14 -64.85 -41.24 4.41 0.28 95.31 0.96 0.49 2.90 92.88 2.45 0.03 0.25 0.06 72 Y H H 96.79 8.16 16.83 25.88 92.56 49.22 -65.66 -40.33 9.37 0.30 90.33 1.65 1.00 6.76 87.51 2.72 0.05 0.21 0.10 73 G H H 34.71 5.01 17.79 23.62 92.77 51.35 -65.68 -39.80 18.65 0.23 81.12 2.12 1.74 14.87 78.40 2.56 0.07 0.13 0.11 74 T H H 65.64 4.86 18.48 23.88 93.94 49.14 -67.89 -39.64 25.88 0.47 73.65 4.17 2.83 18.83 71.48 2.16 0.07 0.26 0.20 75 Y H H 77.76 10.66 16.74 28.09 93.78 51.05 -67.07 -41.06 14.87 1.35 83.77 5.71 2.46 7.49 81.63 1.41 0.05 0.83 0.41 76 K H H 90.99 8.35 17.84 26.81 92.66 51.08 -64.70 -41.23 6.14 0.73 93.13 2.68 0.83 2.90 91.99 0.88 0.01 0.58 0.13 77 A H H 56.17 3.48 19.37 22.99 92.26 50.60 -65.11 -41.35 2.77 0.30 96.94 1.11 0.33 1.43 96.15 0.70 0.01 0.24 0.04 78 W H H 101.22 7.08 18.65 26.70 92.05 49.54 -65.18 -41.58 1.27 0.14 98.59 0.46 0.15 0.69 98.10 0.47 0.00 0.12 0.02 79 H H H 58.19 12.19 17.05 29.77 92.24 50.73 -64.46 -41.32 0.88 0.08 99.04 0.26 0.10 0.52 98.76 0.27 0.00 0.07 0.01 80 M H H 85.75 5.57 19.25 25.56 91.97 50.51 -64.88 -40.92 0.84 0.02 99.14 0.15 0.07 0.58 98.97 0.22 0.00 0.01 0.00 81 I H H 81.12 4.06 20.01 24.36 92.04 49.74 -64.90 -42.10 1.08 0.04 98.87 0.13 0.09 0.83 98.71 0.20 0.01 0.03 0.01 82 Y H H 68.56 9.88 18.00 28.93 92.23 49.03 -65.33 -42.00 1.33 0.05 98.62 0.19 0.14 0.99 98.40 0.22 0.01 0.03 0.02 83 M H H 63.06 9.41 17.44 27.88 92.20 49.88 -65.43 -40.60 1.29 0.02 98.69 0.25 0.13 0.86 98.56 0.18 0.00 0.01 0.01 84 V H H 72.06 4.02 19.19 23.62 92.21 50.18 -65.01 -41.67 1.30 0.01 98.69 0.29 0.14 0.80 98.59 0.17 0.00 0.01 0.00 85 R H H 111.22 4.59 19.21 24.27 92.48 48.83 -66.08 -41.12 1.48 0.01 98.51 0.32 0.15 0.93 98.41 0.18 0.00 0.00 0.00 86 K H H 79.55 9.00 17.35 26.99 92.39 50.00 -65.57 -40.62 1.95 0.01 98.04 0.49 0.20 1.15 97.91 0.23 0.00 0.00 0.00 87 Q H H 85.00 6.76 18.04 25.61 92.29 51.02 -64.82 -40.06 2.40 0.01 97.59 0.64 0.24 1.36 97.51 0.25 0.00 0.00 0.01 88 K H H 113.33 3.69 19.38 23.37 92.45 50.25 -65.75 -40.38 2.19 0.01 97.81 0.57 0.23 1.20 97.78 0.22 0.00 0.00 0.00 89 K H H 100.58 5.02 19.65 25.10 92.48 49.54 -66.03 -41.00 1.86 0.01 98.13 0.50 0.19 0.99 98.09 0.22 0.00 0.00 0.00 90 T H H 50.51 7.94 18.16 26.94 92.51 49.74 -64.99 -41.15 1.17 0.01 98.83 0.31 0.11 0.60 98.77 0.20 0.00 0.00 0.00 91 A H H 45.23 6.37 17.58 25.22 92.08 51.21 -63.99 -41.17 0.87 0.01 99.13 0.21 0.07 0.45 99.08 0.19 0.00 0.00 0.00 92 Q H H 99.98 3.58 19.32 23.16 92.27 50.25 -65.57 -40.90 0.97 0.01 99.02 0.21 0.08 0.55 98.93 0.22 0.00 0.00 0.00 93 L H H 75.09 5.61 18.50 24.75 92.27 49.00 -65.63 -42.23 1.16 0.01 98.83 0.24 0.10 0.68 98.67 0.29 0.00 0.01 0.00 94 V H H 59.93 6.87 17.26 25.08 92.22 48.23 -64.98 -41.25 1.73 0.02 98.25 0.33 0.17 1.08 97.94 0.46 0.00 0.01 0.00 95 A H H 40.74 5.71 15.09 22.61 91.81 51.52 -64.08 -41.21 3.00 0.02 96.97 0.51 0.27 1.99 95.47 1.73 0.01 0.01 0.00 96 A H H 63.92 3.32 16.19 20.14 92.49 51.58 -65.99 -38.05 7.31 0.03 92.66 0.81 0.51 5.64 88.59 4.39 0.02 0.02 0.01 97 A H H 62.55 6.00 14.15 21.06 92.90 53.78 -69.37 -29.44 15.70 0.09 84.21 1.26 1.16 13.17 80.47 3.82 0.04 0.04 0.04 98 Y C H 133.30 5.03 13.28 19.46 97.57 43.74 -94.25 -2.79 52.93 0.49 46.58 4.08 5.93 41.83 43.93 3.62 0.09 0.18 0.34 99 G C T 53.73 2.90 13.10 17.25 103.48 -112.76 75.65 20.77 92.11 0.71 7.17 22.12 12.40 57.96 3.88 2.90 0.00 0.34 0.39 100 Q C C 120.07 3.99 11.66 17.18 106.90 119.47 -93.44 63.59 87.39 2.75 9.86 39.94 22.14 25.82 2.96 6.34 0.01 1.21 1.58 101 G C C 49.64 3.93 13.09 18.36 109.63 -25.72 84.01 3.90 87.13 3.58 9.29 39.43 21.63 26.49 2.11 6.97 0.00 1.81 1.56 102 G C C 39.67 7.70 11.72 20.44 110.18 -110.01 74.82 2.42 80.70 6.57 12.73 40.36 21.96 19.00 3.04 9.57 0.01 3.88 2.18 103 Q C C 111.69 4.89 13.30 19.47 109.57 71.00 -90.69 116.49 66.00 16.83 17.18 37.70 15.90 13.63 5.32 11.60 0.10 11.26 4.49 104 W C C 145.86 7.32 10.89 19.39 105.95 64.18 -84.66 60.51 62.81 19.78 17.42 36.12 13.60 14.19 5.42 11.77 0.09 13.93 4.88 105 L C C 113.45 4.14 11.31 16.84 101.74 64.51 -88.61 -9.27 74.16 13.27 12.57 39.45 22.47 13.46 3.67 8.51 0.05 8.43 3.95 106 N C C 101.96 3.75 11.31 16.75 114.88 58.59 -104.05 117.55 92.00 6.94 1.06 46.08 43.82 2.73 0.30 0.71 0.00 4.27 2.08 107 P C C 96.46 3.56 10.98 16.49 113.27 -128.91 -69.05 144.51 95.02 4.37 0.61 72.07 20.52 2.50 0.18 0.45 0.00 2.83 1.46 108 V C C 92.07 6.28 8.12 16.17 115.01 -116.88 -85.47 132.71 96.00 3.84 0.17 81.33 14.18 0.58 0.06 0.10 0.00 2.39 1.36 109 P C C 94.03 3.43 9.46 14.88 111.97 -107.61 -65.57 146.80 98.35 1.52 0.14 97.67 0.61 0.44 0.04 0.04 0.00 0.75 0.45 110 R C C 181.60 1.92 11.12 14.58 108.76 -116.96 -80.04 125.73 99.94 0.05 0.01 99.89 0.06 0.02 0.00 0.00 0.00 0.02 0.01