# 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 64.39 7.30 12.63 21.18 116.96 -162.63 -96.71 135.69 99.88 0.11 0.01 99.85 0.06 0.02 0.00 0.00 0.00 0.05 0.01 1 I C C 110.91 4.99 10.07 16.89 114.59 -152.01 -97.44 127.54 85.99 9.22 4.79 82.03 1.43 3.18 2.24 1.74 0.00 5.90 3.49 2 V C C 106.09 3.40 9.28 14.63 115.33 -163.11 -101.16 129.52 82.62 10.44 6.94 57.91 12.93 11.87 2.26 4.53 0.00 7.70 2.79 3 N C C 114.17 3.59 10.20 15.49 110.87 -141.73 -92.07 114.64 87.79 6.02 6.20 56.83 17.62 13.59 1.62 4.53 0.00 4.15 1.65 4 A C C 71.37 5.11 9.82 16.73 112.94 -152.01 -88.24 131.03 89.96 4.99 5.04 62.13 21.39 6.46 1.72 3.21 0.00 2.76 2.32 5 Q C C 123.81 3.52 12.18 17.52 115.49 -124.51 -91.75 132.27 96.46 2.29 1.25 75.42 19.34 1.79 0.50 0.69 0.00 1.21 1.05 6 P C C 70.46 9.91 9.98 20.70 112.45 -110.57 -67.83 145.90 90.99 2.07 6.95 68.31 7.94 14.27 1.30 6.05 0.00 1.23 0.92 7 K C C 145.83 3.07 14.17 18.50 110.00 -145.31 -91.36 114.22 91.11 2.31 6.58 46.24 21.20 23.39 1.05 5.84 0.00 1.11 1.17 8 C C C 66.05 9.91 9.98 20.54 112.32 -148.86 -93.97 128.96 90.01 3.21 6.78 41.30 35.49 13.10 1.35 5.28 0.00 1.33 2.15 9 N C C 76.34 6.53 12.44 20.53 109.89 -122.46 -100.61 107.29 97.50 1.00 1.50 79.91 16.05 1.55 0.65 0.75 0.00 0.40 0.69 10 P C T 86.17 6.24 11.73 19.80 95.00 -159.27 -64.73 -21.33 62.49 0.53 36.98 16.68 6.81 38.17 8.26 29.48 0.00 0.28 0.31 11 N C T 108.80 3.60 13.97 18.65 95.56 63.94 -81.86 -4.18 57.90 0.84 41.27 12.20 7.48 37.34 11.00 31.04 0.01 0.47 0.47 12 L C G 69.06 10.50 10.98 22.34 105.00 83.23 -87.39 53.80 51.49 3.16 45.36 31.61 9.99 10.57 11.66 33.26 0.01 1.75 1.15 13 H C C 108.06 7.28 14.17 22.58 110.95 123.99 -94.75 111.50 65.58 6.95 27.46 43.45 10.90 10.87 12.70 15.16 0.03 4.22 2.68 14 Y C C 116.40 8.00 14.22 23.29 113.15 74.01 -100.47 115.59 66.43 10.33 23.25 41.72 12.62 12.00 11.07 12.32 0.04 6.54 3.69 15 W C C 102.94 11.55 12.21 24.27 112.87 -156.69 -95.28 123.65 74.53 8.56 16.90 47.56 15.50 11.43 9.96 7.06 0.03 5.20 3.25 16 T C C 58.86 6.66 13.83 22.00 119.24 -161.52 -103.69 155.47 82.75 5.27 11.98 55.25 18.18 9.16 7.92 4.33 0.01 2.91 2.25 17 T C C 85.89 5.59 12.29 19.29 97.53 -111.06 -70.53 -26.65 68.54 2.39 29.07 27.43 20.67 21.58 18.93 9.00 0.06 1.13 1.20 18 Q C T 122.60 2.97 13.00 16.89 97.58 58.09 -77.35 -26.15 65.22 1.76 33.02 22.61 18.63 25.27 21.76 9.86 0.07 0.80 0.99 19 D C C 80.47 5.89 11.49 18.77 100.82 55.36 -81.44 -22.21 64.04 2.26 33.70 32.20 15.88 16.98 23.18 9.51 0.04 1.03 1.17 20 E C H 112.20 5.04 12.46 18.80 99.50 62.91 -75.16 -21.26 54.41 1.69 43.90 23.23 12.37 20.64 34.49 7.56 0.08 0.79 0.84 21 G C H 39.71 5.20 14.42 20.68 99.57 44.23 -42.81 -32.15 52.57 1.39 46.04 20.91 12.06 21.56 36.13 7.90 0.09 0.64 0.71 22 A H H 50.91 7.11 13.43 21.93 96.81 60.71 -69.74 -35.65 40.45 1.71 57.84 20.05 8.85 13.59 46.56 9.27 0.08 0.92 0.68 23 A H H 52.94 7.06 14.00 22.30 94.84 59.04 -67.28 -37.13 27.97 2.18 69.85 13.64 5.85 10.66 56.31 11.35 0.13 1.41 0.65 24 I H H 93.23 4.24 15.34 20.47 93.75 52.55 -67.86 -36.85 21.08 1.78 77.14 7.16 4.03 10.82 60.23 15.74 0.23 1.30 0.48 25 G H H 33.02 5.65 14.28 21.49 93.84 52.32 -66.19 -35.95 20.10 0.97 78.92 5.50 3.12 10.96 58.63 20.69 0.13 0.70 0.27 26 L H H 77.16 7.74 12.92 21.97 93.91 55.46 -70.08 -28.51 18.79 0.74 80.48 3.62 2.59 10.91 52.34 29.74 0.11 0.47 0.22 27 A H H 63.56 5.56 13.25 20.22 93.95 61.06 -72.85 -24.06 33.46 0.98 65.56 4.29 4.10 21.87 40.01 28.52 0.19 0.60 0.43 28 W H T 168.47 3.04 14.04 17.89 97.95 53.88 -88.92 -12.68 47.52 2.32 50.16 8.31 9.11 28.87 27.96 22.94 0.29 1.42 1.10 29 I C C 79.51 6.97 10.30 19.10 113.59 86.70 -98.75 118.06 72.48 2.21 25.31 35.09 29.05 9.12 14.93 9.58 0.02 1.00 1.22 30 P C G 86.50 4.59 11.94 18.24 105.84 -129.99 -67.67 119.86 56.82 1.38 41.80 25.29 8.51 23.49 11.88 29.43 0.01 0.75 0.65 31 Y C G 159.58 3.61 11.74 16.86 103.40 80.98 -84.83 -0.26 53.92 2.15 43.93 14.81 10.23 29.71 12.59 30.33 0.06 1.19 1.08 32 F C G 141.42 3.52 11.93 16.75 104.79 58.23 -92.42 14.20 59.28 3.32 37.39 22.83 15.70 22.35 11.83 23.72 0.08 1.59 1.91 33 G C C 33.11 6.69 12.06 20.13 121.44 103.25 -17.67 175.42 77.82 2.64 19.54 39.06 29.65 9.44 14.66 4.62 0.02 1.03 1.52 34 P C H 91.89 3.85 13.47 18.33 97.67 -57.62 -68.89 -23.64 54.98 1.45 43.57 18.12 12.30 25.89 34.42 7.72 0.12 0.69 0.74 35 A H H 61.11 5.20 13.39 19.83 98.96 54.95 -72.15 -27.35 45.26 1.73 53.01 19.01 8.32 20.00 43.35 7.52 0.12 0.89 0.80 36 A H H 52.45 6.06 14.03 21.57 95.20 65.73 -67.22 -37.24 25.54 1.19 73.26 14.81 5.61 7.78 64.18 6.49 0.05 0.64 0.45 37 E H H 103.24 4.40 15.78 21.05 93.65 52.52 -67.06 -38.00 19.21 0.83 79.95 9.19 3.61 8.21 72.60 5.50 0.06 0.50 0.32 38 G H H 30.78 5.80 15.07 22.37 93.48 52.73 -65.94 -39.70 17.95 0.66 81.39 8.20 3.05 8.10 75.26 4.69 0.05 0.40 0.25 39 I H H 86.35 4.97 16.28 22.09 93.00 51.25 -66.09 -40.69 11.54 0.62 87.84 6.27 2.08 4.21 84.39 2.46 0.02 0.40 0.17 40 Y H H 124.66 3.82 17.23 21.65 92.96 50.90 -65.86 -40.86 10.05 0.63 89.32 6.15 1.59 3.07 87.27 1.36 0.01 0.40 0.15 41 T H H 64.91 4.70 16.83 22.45 92.66 49.48 -65.35 -41.35 5.82 0.24 93.94 3.22 0.86 2.01 92.90 0.81 0.01 0.13 0.06 42 E H H 93.69 4.59 17.26 22.53 92.34 50.32 -65.03 -40.90 2.64 0.05 97.31 1.09 0.37 1.18 96.85 0.46 0.00 0.02 0.01 43 G H H 30.82 4.30 16.96 22.33 92.44 51.05 -64.20 -41.72 2.32 0.03 97.66 0.82 0.27 1.17 97.31 0.39 0.00 0.01 0.01 44 L H H 81.15 3.88 17.34 21.79 92.20 49.91 -64.92 -40.93 1.55 0.01 98.43 0.47 0.16 0.83 98.22 0.30 0.00 0.00 0.00 45 M H H 87.07 5.03 16.90 22.93 92.18 50.45 -64.61 -41.60 0.87 0.00 99.13 0.23 0.08 0.46 99.06 0.17 0.00 0.00 0.00 46 H H H 107.99 3.85 17.48 21.74 92.22 49.80 -64.83 -41.12 0.76 0.00 99.24 0.20 0.07 0.41 99.20 0.13 0.00 0.00 0.00 47 N H H 89.92 2.89 18.06 21.10 92.24 49.94 -65.13 -40.95 0.94 0.00 99.05 0.19 0.07 0.57 99.01 0.14 0.00 0.00 0.00 48 Q H H 86.62 4.55 17.73 22.84 92.20 49.34 -65.06 -41.50 0.87 0.00 99.13 0.17 0.07 0.53 99.10 0.11 0.00 0.00 0.00 49 D H H 70.59 5.38 17.48 23.71 92.08 50.25 -64.66 -40.81 0.66 0.00 99.34 0.16 0.06 0.35 99.36 0.07 0.00 0.00 0.00 50 G H H 34.31 4.30 17.54 22.42 92.04 50.72 -64.24 -41.19 0.79 0.00 99.20 0.13 0.05 0.49 99.23 0.09 0.00 0.00 0.00 51 L H H 88.80 3.02 18.62 21.54 92.05 49.54 -65.01 -41.81 0.62 0.00 99.38 0.10 0.04 0.39 99.37 0.09 0.00 0.00 0.00 52 I H H 77.89 4.46 18.11 23.18 92.02 49.53 -64.39 -41.85 0.40 0.00 99.60 0.07 0.03 0.23 99.61 0.06 0.00 0.00 0.00 53 C H H 53.10 4.95 17.20 23.08 91.96 49.93 -63.93 -41.86 0.48 0.00 99.52 0.07 0.03 0.29 99.55 0.06 0.00 0.00 0.00 54 G H H 33.94 3.75 17.48 21.85 92.01 50.56 -63.63 -41.76 0.53 0.00 99.46 0.07 0.03 0.34 99.50 0.06 0.00 0.00 0.00 55 L H H 88.11 3.53 17.76 21.42 92.17 49.47 -64.88 -41.21 0.32 0.00 99.68 0.05 0.02 0.18 99.71 0.04 0.00 0.00 0.00 56 R H H 129.88 3.49 17.63 21.64 92.10 50.10 -64.83 -40.98 0.27 0.00 99.73 0.04 0.02 0.15 99.75 0.04 0.00 0.00 0.00 57 Q H H 94.69 4.01 17.34 21.59 92.19 49.96 -64.65 -41.68 0.36 0.00 99.63 0.05 0.02 0.22 99.65 0.06 0.00 0.00 0.00 58 L H H 85.57 3.46 17.69 21.39 92.06 49.54 -64.84 -41.35 0.52 0.00 99.48 0.07 0.03 0.33 99.48 0.08 0.00 0.00 0.00 59 A H H 50.64 3.87 17.00 21.58 91.65 50.40 -63.87 -41.09 0.81 0.00 99.19 0.13 0.06 0.50 99.20 0.11 0.00 0.00 0.00 60 N H H 79.99 3.52 17.51 21.36 92.09 50.22 -65.09 -40.27 1.83 0.00 98.17 0.26 0.13 1.23 98.24 0.14 0.00 0.00 0.00 61 E H H 99.76 3.38 17.40 20.99 92.02 49.94 -64.81 -41.03 1.40 0.00 98.59 0.24 0.11 0.88 98.64 0.12 0.00 0.00 0.00 62 T H H 68.68 3.54 17.27 21.04 92.32 49.55 -64.99 -41.38 1.12 0.00 98.87 0.32 0.11 0.56 98.88 0.12 0.00 0.00 0.00 63 T H H 68.95 3.24 17.39 20.91 92.11 49.95 -64.88 -41.15 0.75 0.00 99.25 0.17 0.06 0.41 99.26 0.10 0.00 0.00 0.00 64 Q H H 98.63 2.98 17.48 20.33 92.25 49.56 -65.20 -41.06 0.52 0.00 99.48 0.10 0.04 0.29 99.49 0.08 0.00 0.00 0.00 65 A H H 51.71 3.53 16.13 20.42 91.82 51.16 -63.93 -41.54 0.47 0.00 99.53 0.09 0.03 0.26 99.53 0.08 0.00 0.00 0.00 66 L H H 89.03 3.19 16.90 20.24 92.03 49.66 -64.96 -40.64 0.40 0.00 99.59 0.07 0.02 0.24 99.59 0.08 0.00 0.00 0.00 67 Q H H 100.61 2.61 16.96 19.61 91.92 50.25 -64.82 -40.79 0.39 0.00 99.61 0.06 0.02 0.23 99.61 0.08 0.00 0.00 0.00 68 L H H 84.98 3.22 16.34 19.84 91.97 50.42 -64.86 -41.05 0.59 0.00 99.41 0.07 0.03 0.39 99.40 0.11 0.00 0.00 0.00 69 F H H 112.38 3.19 16.42 19.96 92.11 49.78 -65.37 -40.68 0.64 0.00 99.36 0.11 0.05 0.39 99.35 0.10 0.00 0.00 0.00 70 L H H 86.62 3.23 16.25 19.96 92.04 51.02 -64.62 -40.72 0.73 0.00 99.27 0.21 0.06 0.36 99.27 0.09 0.00 0.00 0.00 71 R H H 137.67 2.09 17.31 19.05 91.94 50.06 -64.84 -40.98 0.70 0.00 99.30 0.17 0.05 0.39 99.28 0.10 0.00 0.00 0.00 72 A H H 53.20 3.24 16.47 20.31 91.80 50.60 -64.61 -40.95 0.80 0.00 99.20 0.19 0.06 0.45 99.17 0.12 0.00 0.00 0.00 73 T H H 64.35 4.17 16.37 21.37 92.07 49.79 -64.99 -40.70 0.89 0.00 99.11 0.26 0.08 0.45 99.07 0.13 0.00 0.00 0.00 74 T H H 67.69 3.47 16.64 20.67 91.98 50.64 -64.27 -41.16 1.10 0.00 98.89 0.31 0.09 0.57 98.86 0.15 0.00 0.00 0.00 75 E H H 106.88 2.35 17.32 19.38 92.03 50.46 -64.87 -40.99 1.34 0.00 98.66 0.23 0.09 0.85 98.63 0.20 0.00 0.00 0.00 76 L H H 89.31 3.22 16.84 20.48 92.03 50.07 -65.22 -40.67 1.20 0.00 98.80 0.33 0.12 0.64 98.71 0.20 0.00 0.00 0.00 77 R H H 120.09 4.70 16.44 22.02 92.16 51.07 -64.99 -40.78 1.13 0.00 98.87 0.33 0.08 0.58 98.81 0.19 0.00 0.00 0.00 78 T H H 72.98 3.44 17.47 21.16 92.06 50.46 -64.91 -41.07 1.09 0.01 98.90 0.22 0.09 0.66 98.83 0.19 0.00 0.00 0.00 79 F H H 110.51 2.86 18.08 20.89 91.94 50.01 -64.90 -41.74 0.82 0.00 99.18 0.19 0.07 0.45 99.16 0.12 0.00 0.00 0.00 80 S H H 45.02 5.52 16.63 23.33 91.95 50.42 -64.53 -42.06 0.77 0.00 99.22 0.18 0.05 0.43 99.23 0.10 0.00 0.00 0.00 81 I H H 77.34 5.03 17.73 23.56 91.92 49.70 -64.58 -41.81 0.66 0.00 99.34 0.12 0.05 0.40 99.34 0.10 0.00 0.00 0.00 82 L H H 85.56 3.43 18.78 22.25 91.60 49.96 -64.34 -41.43 0.50 0.00 99.50 0.09 0.04 0.29 99.51 0.07 0.00 0.00 0.00 83 N H H 73.89 5.79 18.15 24.68 92.02 49.97 -65.28 -40.99 0.60 0.00 99.40 0.10 0.04 0.36 99.41 0.08 0.00 0.00 0.00 84 R H H 108.41 7.00 18.26 25.94 91.99 50.39 -64.72 -40.85 0.52 0.00 99.48 0.07 0.04 0.34 99.45 0.10 0.00 0.00 0.00 85 K H H 99.59 4.51 19.52 24.16 91.87 50.47 -64.54 -41.10 0.54 0.00 99.45 0.06 0.04 0.37 99.38 0.15 0.00 0.00 0.00 86 A H H 42.26 4.90 17.81 23.84 91.68 50.81 -63.83 -41.90 0.98 0.00 99.02 0.12 0.07 0.68 98.74 0.38 0.00 0.00 0.00 87 I H H 62.70 8.40 16.72 26.27 92.05 49.96 -65.13 -40.64 2.56 0.01 97.43 0.24 0.20 1.99 96.68 0.85 0.02 0.00 0.01 88 D H H 70.07 6.42 16.76 23.96 92.05 50.87 -66.04 -39.27 5.64 0.02 94.34 0.42 0.41 4.70 93.31 1.11 0.04 0.01 0.01 89 F H H 115.47 2.84 17.94 20.42 95.27 46.28 -72.57 -40.48 15.70 0.10 84.20 0.87 1.33 13.83 81.57 2.08 0.21 0.04 0.07 90 L H H 74.78 4.69 15.67 21.40 94.36 46.96 -69.56 -40.49 36.30 0.30 63.40 1.69 3.89 30.78 59.23 3.63 0.43 0.11 0.24 91 L H H 53.39 8.80 12.24 22.63 94.28 48.74 -69.35 -37.13 38.75 0.51 60.74 4.00 5.18 29.29 52.88 7.60 0.44 0.21 0.40 92 Q H H 105.39 4.48 12.92 18.78 93.08 54.83 -65.91 -37.54 29.45 0.53 70.02 3.64 4.02 20.24 41.02 30.11 0.39 0.26 0.32 93 R H H 177.81 1.13 14.71 15.24 93.95 47.65 -71.44 -33.52 31.10 0.48 68.42 2.82 3.79 22.68 39.43 30.45 0.29 0.25 0.30 94 W H T 155.83 3.56 12.78 17.47 99.12 34.42 -99.74 -1.84 44.88 0.75 54.37 3.88 7.46 32.29 28.83 26.35 0.29 0.36 0.55 95 G C T 46.57 2.88 16.70 20.03 99.73 -107.62 84.96 8.35 96.83 0.62 2.55 30.47 14.29 52.38 1.17 1.07 0.00 0.29 0.31 96 G C C 15.76 9.61 16.21 27.37 129.40 -54.33 110.60 175.32 88.47 2.52 9.01 60.25 23.27 4.41 7.75 1.54 0.00 0.70 2.08 97 T H H 37.41 14.56 16.00 30.74 94.15 -64.17 -65.18 -35.97 11.96 0.26 87.79 3.67 3.14 6.48 82.38 3.99 0.09 0.11 0.14 98 C H H 40.83 12.61 14.68 27.97 91.70 57.25 -65.51 -33.55 4.35 0.04 95.60 0.68 0.51 2.99 88.85 6.89 0.03 0.02 0.01 99 H H H 123.82 3.52 17.63 21.87 92.69 53.39 -68.71 -34.47 2.69 0.03 97.28 0.37 0.27 1.93 90.32 7.09 0.01 0.02 0.01 100 I H H 89.25 6.48 15.95 23.41 95.77 46.31 -75.10 -36.39 4.84 0.05 95.11 0.49 0.51 3.78 90.39 4.71 0.06 0.02 0.02 101 L H H 62.63 10.63 12.45 23.91 99.07 35.44 -94.47 -15.82 15.84 0.60 83.56 2.03 4.09 11.09 80.01 1.92 0.24 0.21 0.40 102 G C C 29.26 4.09 16.13 21.56 125.26 -123.28 88.41 169.62 86.44 0.65 12.91 62.43 12.07 9.69 2.26 12.78 0.00 0.28 0.50 103 P C T 103.90 4.34 12.77 18.72 93.06 -51.33 -69.06 -19.52 57.95 0.30 41.75 3.19 6.58 45.76 3.01 41.08 0.00 0.15 0.23 104 D C T 111.06 2.11 15.94 18.33 94.07 61.32 -83.21 -7.37 56.13 0.35 43.51 3.64 5.17 44.84 3.69 42.22 0.00 0.19 0.24 105 C C T 42.22 12.28 11.04 23.99 104.39 86.99 -79.46 61.62 62.13 1.30 36.57 12.49 14.75 33.86 4.89 32.46 0.02 0.57 0.97 106 C C T 62.12 10.11 13.62 24.23 101.76 7.66 -74.28 48.68 77.19 1.66 21.15 15.19 17.03 44.41 4.48 17.04 0.01 0.79 1.05 107 I C C 95.05 6.30 15.19 22.49 102.22 123.64 -91.63 -6.24 76.83 4.97 18.19 27.19 24.06 26.35 4.51 12.66 0.05 2.28 2.89 108 E C C 104.59 5.82 12.99 20.41 112.60 87.04 -93.47 120.71 88.21 5.43 6.35 52.05 29.60 6.33 2.40 3.76 0.00 2.44 3.41 109 P C C 74.77 8.00 9.23 18.52 109.97 -151.60 -77.49 133.90 84.08 2.07 13.85 57.77 12.89 12.08 2.27 12.87 0.00 1.25 0.86 110 H C C 142.95 2.63 10.85 14.80 104.73 -121.49 -81.22 24.41 86.73 1.08 12.19 51.77 14.17 19.78 1.80 11.36 0.00 0.55 0.57 111 D C C 100.94 3.71 9.31 14.77 105.71 90.60 -88.51 64.28 91.12 0.62 8.27 76.96 2.63 11.94 1.44 6.34 0.00 0.33 0.36 112 W C C 156.33 5.86 10.18 17.57 104.66 148.50 -87.05 35.08 99.88 0.05 0.07 99.70 0.12 0.12 0.02 0.01 0.00 0.02 0.01