# 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 104.16 5.90 11.09 18.50 114.31 -152.07 -89.87 133.43 99.95 0.03 0.02 99.87 0.07 0.03 0.01 0.00 0.00 0.01 0.01 1 A C C 60.56 3.72 10.76 16.06 114.12 -121.41 -77.07 149.12 75.91 0.29 23.80 73.03 0.91 4.39 17.76 3.63 0.00 0.11 0.18 2 P H H 91.13 3.44 10.05 15.12 95.51 -104.07 -62.26 -35.49 42.89 0.39 56.72 17.33 5.78 20.05 38.90 17.48 0.03 0.19 0.25 3 I H H 109.77 2.74 10.56 14.66 93.56 54.46 -67.74 -34.00 23.79 0.24 75.97 7.93 3.17 11.40 51.07 26.18 0.02 0.13 0.11 4 Q H H 110.63 2.61 12.35 15.99 93.33 54.95 -67.68 -33.31 8.28 0.07 91.65 2.04 1.02 4.37 56.02 36.49 0.00 0.04 0.02 5 E H H 105.41 4.58 12.38 18.30 93.62 53.34 -71.59 -26.58 14.46 0.07 85.47 1.48 1.21 9.98 51.66 35.58 0.01 0.04 0.03 6 Y H H 112.07 6.48 12.57 20.44 96.85 49.48 -85.77 -10.42 22.67 0.09 77.24 1.98 1.70 17.09 49.82 29.27 0.03 0.04 0.06 7 V H H 81.75 3.04 15.46 19.17 93.01 69.71 -63.28 -41.41 3.92 0.01 96.07 1.17 0.62 1.83 95.74 0.62 0.00 0.00 0.00 8 G H H 30.93 4.79 15.31 21.57 92.14 51.72 -64.09 -40.36 1.81 0.00 98.19 0.44 0.13 0.98 98.01 0.43 0.00 0.00 0.00 9 T H H 51.96 8.80 14.55 24.61 92.28 50.39 -65.53 -40.89 0.38 0.00 99.62 0.07 0.02 0.21 99.44 0.26 0.00 0.00 0.00 10 L H H 91.04 3.62 17.23 21.47 91.91 50.58 -64.76 -40.98 0.13 0.00 99.87 0.02 0.01 0.07 99.81 0.09 0.00 0.00 0.00 11 I H H 98.63 2.18 18.65 20.13 91.76 49.60 -64.86 -41.78 0.11 0.00 99.89 0.01 0.00 0.07 99.88 0.04 0.00 0.00 0.00 12 Y H H 89.28 8.25 16.49 25.82 91.83 49.48 -65.01 -41.80 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 13 V H H 59.44 9.47 16.50 26.90 91.78 49.72 -64.25 -41.63 0.08 0.00 99.92 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 14 G H H 38.71 2.54 19.67 21.44 91.60 50.39 -64.02 -42.13 0.19 0.00 99.81 0.01 0.00 0.12 99.82 0.03 0.00 0.00 0.00 15 V H H 76.06 3.12 19.87 22.79 91.58 48.55 -64.65 -41.69 0.25 0.00 99.75 0.01 0.01 0.17 99.77 0.04 0.00 0.00 0.00 16 A H H 23.11 13.03 14.86 29.06 91.63 51.47 -63.55 -41.41 0.37 0.00 99.63 0.03 0.01 0.25 99.63 0.08 0.00 0.00 0.00 17 L H H 81.23 6.68 18.16 25.68 91.56 51.09 -64.28 -41.19 0.61 0.00 99.39 0.03 0.02 0.47 99.33 0.15 0.00 0.00 0.00 18 F H H 134.51 1.36 21.34 20.41 92.08 49.35 -64.80 -41.50 0.77 0.00 99.23 0.05 0.03 0.59 99.11 0.21 0.00 0.00 0.00 19 I H H 78.91 5.49 19.05 25.18 92.28 48.14 -65.93 -41.34 1.33 0.00 98.67 0.08 0.06 1.03 98.53 0.29 0.00 0.00 0.00 20 G H H 13.88 14.14 14.16 29.16 92.16 51.31 -63.64 -41.58 3.62 0.00 96.38 0.24 0.16 2.92 96.22 0.46 0.00 0.00 0.00 21 V H H 79.65 3.66 19.53 23.24 91.98 50.00 -64.40 -41.15 3.19 0.00 96.81 0.25 0.20 2.40 96.67 0.46 0.00 0.00 0.00 22 A H H 61.30 2.06 20.25 20.95 91.70 50.46 -63.86 -41.84 1.59 0.00 98.41 0.25 0.13 0.98 98.06 0.58 0.00 0.00 0.00 23 A H H 35.50 9.60 15.75 26.75 91.92 50.18 -64.81 -40.48 1.61 0.00 98.38 0.19 0.09 1.14 97.72 0.85 0.00 0.00 0.00 24 L H H 70.99 9.80 16.13 26.65 91.73 51.20 -64.57 -40.64 1.84 0.00 98.15 0.16 0.10 1.42 97.27 1.04 0.00 0.00 0.00 25 L H H 103.88 1.67 19.20 19.49 92.01 49.87 -64.97 -41.04 2.23 0.01 97.77 0.21 0.14 1.70 96.84 1.11 0.00 0.00 0.00 26 V H H 77.31 2.96 17.65 20.67 91.97 49.52 -65.18 -41.28 2.13 0.00 97.87 0.21 0.16 1.59 96.57 1.47 0.00 0.00 0.00 27 G H H 17.03 11.77 11.92 25.07 91.72 52.90 -64.09 -39.94 2.27 0.00 97.73 0.18 0.14 1.75 95.63 2.29 0.00 0.00 0.00 28 A H H 64.65 5.11 14.61 21.07 91.78 52.40 -65.73 -34.26 3.49 0.00 96.51 0.17 0.19 2.99 93.07 3.57 0.00 0.00 0.00 29 L H H 130.23 1.10 15.93 15.82 93.36 49.90 -72.02 -28.87 8.69 0.02 91.29 0.36 0.57 7.75 88.56 2.71 0.02 0.01 0.01 30 L H H 111.20 3.21 12.96 17.27 98.25 47.18 -90.60 -9.87 23.58 0.23 76.20 2.64 4.93 17.34 72.85 1.83 0.15 0.06 0.21 31 G C C 29.59 9.21 10.07 20.39 125.29 105.81 -90.15 165.83 99.20 0.55 0.24 51.51 46.68 1.12 0.12 0.09 0.00 0.20 0.28 32 P C C 94.90 3.59 13.50 18.41 112.81 -76.53 -68.38 146.69 98.56 1.05 0.40 80.21 15.45 2.86 0.11 0.28 0.00 0.51 0.60 33 K C C 137.91 4.77 11.17 18.13 115.21 -143.28 -97.98 130.34 94.23 5.34 0.44 76.45 15.37 1.41 0.17 0.27 0.00 1.55 4.79 34 K C C 139.85 3.09 12.77 17.67 116.69 -133.87 -104.39 131.37 98.94 0.95 0.10 84.29 14.32 0.41 0.04 0.06 0.00 0.42 0.47 35 P C C 76.34 8.17 9.77 19.28 113.04 -110.34 -65.61 147.90 98.13 0.66 1.21 79.83 13.59 4.71 0.50 0.58 0.00 0.26 0.54 36 G C C 36.00 4.61 12.40 18.44 122.65 -147.23 -97.82 164.87 96.49 0.72 2.79 83.21 9.45 3.72 1.65 0.93 0.00 0.22 0.83 37 R H G 169.52 2.59 12.85 16.65 93.30 -100.14 -64.12 -31.90 25.50 0.27 74.23 6.87 4.55 13.25 33.29 41.75 0.01 0.13 0.15 38 A H G 61.45 5.90 11.92 19.39 92.51 60.26 -66.72 -29.39 16.59 0.10 83.31 2.01 1.78 11.71 32.67 51.73 0.00 0.06 0.04 39 K H G 104.57 8.18 12.79 22.05 93.10 58.20 -73.35 -20.06 15.80 0.15 84.05 2.28 1.85 10.69 34.13 50.91 0.00 0.09 0.05 40 L H G 92.18 6.26 14.32 21.88 97.10 53.87 -93.20 -0.86 35.39 0.86 63.75 8.19 7.05 20.07 27.92 35.78 0.05 0.42 0.51 41 M C S 70.58 8.00 12.51 22.44 115.17 104.24 -82.17 136.90 97.44 1.24 1.32 43.38 52.46 1.46 0.74 0.45 0.00 0.31 1.21 42 P C T 73.43 7.25 14.30 22.85 97.75 -122.59 -65.90 -23.89 86.64 1.74 11.63 29.64 22.74 34.70 2.61 8.37 0.01 0.73 1.20 43 Y C T 108.92 9.18 12.89 22.82 107.07 52.53 -88.93 93.00 77.62 6.97 15.41 27.11 18.48 32.54 3.29 11.19 0.07 2.80 4.52 44 E C T 110.42 6.67 14.12 21.87 100.46 60.43 -76.24 -17.64 71.16 5.32 23.51 16.84 17.18 37.15 3.68 19.43 0.08 2.48 3.16 45 S C T 63.35 6.28 13.23 20.64 98.70 43.49 -90.48 1.85 78.98 2.09 18.93 10.18 17.80 50.16 2.69 16.76 0.01 1.06 1.35 46 G C S 46.83 4.85 13.50 19.80 99.15 -101.45 83.71 3.99 89.10 3.07 7.83 26.86 35.39 26.58 1.08 6.95 0.00 1.40 1.75 47 N C C 82.30 6.04 11.56 19.36 117.08 127.46 -90.15 140.39 90.01 8.31 1.69 59.40 25.66 4.35 0.51 1.20 0.00 3.06 5.81 48 D C C 94.57 4.14 12.54 18.33 113.06 -121.85 -86.37 126.81 93.01 5.80 1.19 73.11 16.77 2.69 0.43 0.81 0.00 2.85 3.34 49 P C C 86.78 6.24 9.64 17.56 103.10 -128.19 -69.17 16.73 91.11 2.97 5.92 52.42 18.09 20.49 1.34 4.67 0.00 1.56 1.44 50 A C C 84.34 2.69 10.01 13.91 106.29 62.50 -87.12 55.12 90.56 2.00 7.44 36.96 24.53 29.39 1.61 5.47 0.00 0.89 1.15 51 G C C 51.17 2.67 10.91 14.96 116.10 22.49 89.44 -160.59 89.21 1.46 9.34 34.65 31.46 23.37 2.02 6.96 0.00 0.67 0.86 52 E C C 143.43 2.25 10.47 14.09 108.21 -57.90 -88.44 84.97 88.55 2.17 9.28 61.63 15.29 11.43 2.93 6.34 0.00 1.06 1.32 53 V C C 95.58 5.45 8.68 15.91 114.34 121.04 -96.09 130.95 91.03 2.06 6.92 79.52 6.80 5.04 3.02 3.47 0.00 1.09 1.06 54 K C C 127.08 4.34 10.67 16.92 117.77 -155.79 -102.52 136.00 91.23 2.42 6.35 78.57 8.20 4.87 2.99 2.96 0.00 1.30 1.11 55 R C C 168.60 2.57 12.28 16.46 113.94 -125.76 -87.70 131.14 89.36 4.48 6.17 71.93 12.64 4.82 3.45 2.61 0.00 2.37 2.16 56 F C C 88.86 10.74 8.47 19.84 117.16 -135.79 -93.62 132.89 90.62 5.25 4.13 73.31 15.28 1.87 3.44 1.01 0.00 2.32 2.76 57 P C C 65.41 5.07 13.42 20.20 112.21 -113.01 -69.22 145.20 87.71 5.24 7.05 83.07 2.87 1.46 6.89 0.71 0.00 2.23 2.76 58 V H H 100.82 3.05 12.89 17.24 92.78 -121.48 -60.81 -35.26 11.24 0.06 88.70 2.71 1.50 6.61 87.38 1.73 0.01 0.02 0.03 59 H H H 105.84 4.57 15.08 20.89 92.26 57.04 -65.42 -37.42 5.75 0.03 94.23 0.91 0.49 4.05 92.80 1.72 0.01 0.01 0.01 60 F H H 59.64 11.89 13.53 26.29 92.46 52.18 -65.54 -40.30 0.89 0.00 99.11 0.17 0.07 0.53 98.22 1.00 0.00 0.00 0.00 61 Y H H 103.31 6.68 16.55 24.36 92.07 51.30 -64.28 -41.24 0.17 0.00 99.83 0.04 0.01 0.08 99.72 0.15 0.00 0.00 0.00 62 V H H 73.22 4.07 19.20 23.48 91.97 49.81 -64.61 -41.96 0.12 0.00 99.88 0.02 0.00 0.07 99.83 0.07 0.00 0.00 0.00 63 V H H 41.89 10.60 17.64 29.40 92.07 49.87 -64.54 -42.19 0.07 0.00 99.93 0.01 0.00 0.04 99.90 0.04 0.00 0.00 0.00 64 A H H 26.57 11.83 16.96 29.98 91.56 51.46 -63.45 -41.58 0.07 0.00 99.93 0.01 0.00 0.04 99.92 0.03 0.00 0.00 0.00 65 M H H 91.11 4.44 21.14 25.61 91.76 50.42 -64.53 -41.39 0.08 0.00 99.92 0.01 0.00 0.06 99.91 0.03 0.00 0.00 0.00 66 L H H 61.18 8.21 19.67 28.59 91.79 50.35 -64.77 -41.90 0.09 0.00 99.91 0.00 0.00 0.06 99.90 0.03 0.00 0.00 0.00 67 F H H 51.99 14.98 17.76 32.71 91.90 50.78 -64.16 -41.76 0.16 0.00 99.84 0.01 0.00 0.12 99.82 0.05 0.00 0.00 0.00 68 I H H 71.80 8.05 20.09 28.55 91.84 50.07 -64.39 -41.77 0.21 0.00 99.79 0.01 0.01 0.16 99.75 0.07 0.00 0.00 0.00 69 L H H 79.54 4.86 21.49 26.27 91.85 50.13 -64.68 -41.95 0.30 0.00 99.70 0.02 0.01 0.22 99.63 0.12 0.00 0.00 0.00 70 F H H 50.66 13.16 18.74 32.28 92.06 49.61 -65.20 -41.59 0.52 0.00 99.48 0.04 0.02 0.38 99.40 0.16 0.00 0.00 0.00 71 D H H 42.44 13.78 18.27 32.15 91.76 51.24 -63.87 -41.10 0.77 0.00 99.23 0.08 0.03 0.52 99.16 0.21 0.00 0.00 0.00 72 V H H 73.08 4.94 21.87 26.45 91.95 49.53 -64.80 -41.52 0.84 0.00 99.16 0.06 0.04 0.64 98.70 0.56 0.00 0.00 0.00 73 E H H 68.89 8.64 20.26 29.45 92.14 50.27 -65.44 -40.80 1.65 0.00 98.34 0.11 0.07 1.35 97.37 1.10 0.00 0.00 0.00 74 V H H 29.91 16.20 17.15 33.34 92.25 49.73 -65.74 -39.76 2.27 0.01 97.73 0.11 0.10 1.93 94.62 3.23 0.00 0.00 0.00 75 A H H 46.51 9.34 18.78 28.65 91.77 54.48 -64.80 -36.90 4.46 0.01 95.53 0.15 0.14 4.22 84.92 10.56 0.00 0.00 0.00 76 F H H 116.89 5.21 20.89 25.98 93.11 46.55 -74.74 -27.16 20.27 0.01 79.72 0.20 0.38 21.29 65.83 12.26 0.02 0.00 0.01 77 L H H 46.88 14.71 17.13 31.67 94.29 53.40 -78.80 -22.65 18.86 0.02 81.12 0.34 0.71 18.37 74.21 6.31 0.03 0.01 0.02 78 W H H 89.21 14.36 17.10 31.24 92.85 72.02 -61.46 -43.40 10.41 0.03 89.55 1.22 1.26 7.55 82.38 7.54 0.02 0.02 0.02 79 P H H 65.06 5.90 20.73 26.56 91.65 51.00 -64.34 -38.70 7.64 0.02 92.33 1.08 0.57 5.38 84.03 8.91 0.01 0.01 0.01 80 Y H H 92.38 7.11 20.04 27.98 92.23 50.71 -65.59 -39.67 2.99 0.02 96.99 0.40 0.29 2.03 89.11 8.14 0.00 0.01 0.00 81 A H H 15.54 16.02 14.11 30.85 91.65 52.93 -63.63 -40.99 3.50 0.03 96.47 0.57 0.40 2.38 90.54 6.08 0.01 0.02 0.01 82 V H H 75.50 7.09 17.48 25.18 92.83 49.05 -66.12 -39.81 9.11 0.06 90.84 0.79 0.88 7.33 84.96 5.94 0.05 0.03 0.03 83 S H H 76.20 2.91 17.07 19.85 92.73 51.89 -68.76 -31.50 18.23 0.09 81.68 1.23 1.99 15.22 77.38 3.99 0.10 0.04 0.06 84 A C T 53.66 7.62 12.63 21.66 95.08 52.22 -84.55 -7.38 56.68 0.61 42.72 6.99 12.24 37.59 37.18 5.14 0.14 0.21 0.51 85 G C T 55.24 2.95 15.88 19.92 97.06 -120.34 68.85 19.95 77.34 0.43 22.23 11.16 11.10 55.03 9.23 12.90 0.00 0.21 0.37 86 G C T 42.22 6.88 14.68 22.54 109.45 -50.75 89.96 16.17 78.60 0.79 20.61 21.07 16.71 41.73 5.95 13.60 0.00 0.36 0.57 87 L C C 79.00 10.15 12.47 23.34 107.83 143.02 -98.57 48.82 79.55 2.05 18.40 43.37 19.00 17.55 7.43 10.30 0.01 0.85 1.50 88 G C C 33.03 4.85 17.00 22.85 128.68 32.96 100.12 -169.89 75.07 1.36 23.57 36.17 31.85 7.01 21.53 2.11 0.01 0.35 0.97 89 L H H 123.45 2.30 15.42 18.39 92.73 -47.49 -64.55 -35.57 9.61 0.05 90.35 1.20 2.02 6.53 89.03 1.15 0.03 0.01 0.03 90 Y H H 146.47 2.35 17.47 19.75 92.20 52.17 -65.33 -39.14 4.33 0.02 95.65 0.50 0.49 3.16 95.04 0.79 0.01 0.01 0.01 91 G H H 10.84 14.42 12.83 28.32 91.94 52.22 -63.81 -40.86 1.81 0.00 98.19 0.33 0.17 1.12 97.80 0.58 0.00 0.00 0.00 92 F H H 89.78 9.03 17.39 27.09 92.08 51.11 -64.16 -41.67 0.59 0.00 99.41 0.10 0.04 0.36 99.23 0.27 0.00 0.00 0.00 93 L H H 97.65 1.96 22.00 22.33 91.96 49.79 -64.56 -41.52 0.27 0.00 99.73 0.03 0.01 0.19 99.66 0.11 0.00 0.00 0.00 94 G H H 20.93 8.46 18.25 28.11 91.70 50.85 -64.08 -41.58 0.38 0.00 99.62 0.03 0.02 0.28 99.57 0.10 0.00 0.00 0.00 95 V H H 28.58 16.19 16.16 32.55 91.65 50.50 -63.64 -41.63 0.30 0.00 99.70 0.02 0.01 0.24 99.66 0.07 0.00 0.00 0.00 96 L H H 84.27 5.05 21.08 26.11 91.64 50.84 -63.95 -41.35 0.14 0.00 99.86 0.01 0.00 0.10 99.85 0.04 0.00 0.00 0.00 97 A H H 56.33 3.09 21.22 23.76 91.53 50.78 -64.01 -42.55 0.08 0.00 99.92 0.01 0.00 0.06 99.91 0.03 0.00 0.00 0.00 98 F H H 56.18 12.95 17.94 31.26 91.87 49.16 -64.84 -42.02 0.07 0.00 99.93 0.00 0.00 0.06 99.91 0.03 0.00 0.00 0.00 99 T H H 42.24 12.39 17.84 30.71 91.63 50.27 -63.78 -41.39 0.07 0.00 99.93 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 100 L H H 91.06 2.85 21.46 23.44 91.78 50.76 -64.07 -41.70 0.06 0.00 99.94 0.00 0.00 0.05 99.93 0.02 0.00 0.00 0.00 101 L H H 74.54 5.99 19.99 26.53 91.86 49.78 -65.24 -41.53 0.07 0.00 99.93 0.00 0.00 0.05 99.92 0.03 0.00 0.00 0.00 102 L H H 37.00 15.67 16.76 32.45 91.77 49.87 -64.72 -41.59 0.19 0.00 99.81 0.00 0.00 0.18 99.76 0.05 0.00 0.00 0.00 103 F H H 95.57 6.95 20.64 27.75 91.90 50.20 -64.22 -41.98 0.51 0.00 99.49 0.01 0.01 0.49 99.43 0.06 0.00 0.00 0.00 104 V H H 80.44 2.44 22.38 23.53 91.51 49.50 -64.03 -42.22 0.49 0.00 99.51 0.02 0.02 0.40 99.51 0.06 0.00 0.00 0.00 105 G H H 14.78 10.90 17.28 29.79 91.56 50.91 -63.59 -42.50 0.44 0.00 99.56 0.03 0.02 0.32 99.58 0.06 0.00 0.00 0.00 106 F H H 61.26 12.59 17.17 30.25 91.87 50.29 -64.10 -41.35 0.29 0.00 99.71 0.01 0.01 0.20 99.72 0.05 0.00 0.00 0.00 107 L H H 85.32 3.47 20.11 23.00 91.46 50.08 -63.87 -42.05 0.18 0.00 99.82 0.01 0.01 0.11 99.83 0.04 0.00 0.00 0.00 108 Y H H 107.70 3.31 18.64 22.02 91.72 49.33 -64.49 -42.03 0.18 0.00 99.82 0.01 0.01 0.13 99.79 0.06 0.00 0.00 0.00 109 E H H 35.48 10.88 13.25 25.98 91.91 49.75 -64.31 -41.29 0.29 0.00 99.71 0.02 0.01 0.23 99.56 0.17 0.00 0.00 0.00 110 W H H 113.34 7.17 13.59 21.97 92.12 49.48 -65.13 -41.16 0.52 0.00 99.48 0.03 0.02 0.46 99.09 0.41 0.00 0.00 0.00 111 W H H 184.27 1.53 14.74 16.14 92.15 50.11 -66.37 -33.64 3.15 0.00 96.85 0.05 0.08 3.30 96.13 0.44 0.01 0.00 0.00 112 K C T 125.25 2.70 12.97 16.52 93.46 49.29 -86.45 -3.84 69.89 0.02 30.08 0.22 0.91 68.21 29.97 0.66 0.01 0.01 0.02 113 G C T 50.00 3.54 12.56 17.63 96.30 -112.60 76.93 13.97 99.15 0.02 0.83 0.74 2.18 96.44 0.50 0.11 0.00 0.01 0.01 114 V C S 75.18 5.69 12.44 19.91 95.48 126.04 -79.41 -20.66 99.12 0.36 0.53 18.07 65.61 15.47 0.14 0.37 0.00 0.22 0.11 115 M C S 65.51 12.66 9.66 22.48 121.08 43.62 -118.19 131.74 73.26 25.79 0.96 23.80 36.31 14.98 0.19 0.86 0.00 20.05 3.80 116 R C C 154.65 2.72 14.44 18.62 118.97 -167.59 -112.88 130.92 65.71 33.92 0.36 58.93 5.16 0.93 0.10 0.29 0.00 31.57 3.01 117 W C C 136.24 9.84 8.60 19.10 111.95 -149.92 -92.10 121.77 81.04 18.83 0.13 81.16 0.47 0.24 0.04 0.05 0.00 16.56 1.48 118 H C C 140.71 2.55 13.92 17.72 112.74 -154.13 -98.48 121.57 99.85 0.15 0.00 99.85 0.04 0.01 0.00 0.00 0.00 0.10 0.00