# 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 90.22 10.06 14.77 25.35 116.41 -160.59 -96.85 130.98 99.72 0.25 0.03 99.69 0.10 0.04 0.01 0.00 0.00 0.12 0.03 1 A C C 63.44 6.85 12.55 20.73 113.76 -147.69 -90.91 129.51 89.75 4.87 5.39 85.12 1.40 4.16 2.24 2.14 0.00 3.06 1.88 2 F C C 118.80 7.27 10.18 18.75 112.86 -158.43 -92.89 121.71 82.47 8.04 9.48 49.75 14.31 18.96 2.97 6.12 0.01 4.75 3.13 3 G C C 46.06 5.57 11.62 18.52 111.05 4.84 44.25 125.26 85.04 5.33 9.63 45.67 18.78 21.12 2.22 7.16 0.01 3.10 1.95 4 R C C 157.93 3.69 11.21 16.49 107.19 -124.22 -88.00 60.74 85.84 5.14 9.02 44.47 23.36 18.71 2.34 6.24 0.00 2.90 1.98 5 T C C 92.83 4.31 11.17 16.98 109.36 58.10 -92.68 94.72 88.00 5.88 6.11 48.93 25.72 13.78 1.80 4.07 0.00 3.27 2.42 6 R C C 135.88 5.80 11.53 18.98 117.54 -143.76 -96.85 131.93 94.19 5.19 0.62 59.53 34.36 0.90 0.27 0.30 0.00 2.92 1.72 7 P C C 73.14 8.14 11.09 20.57 112.81 -110.17 -67.50 146.11 92.32 5.39 2.29 84.51 4.93 2.98 0.84 1.26 0.00 3.62 1.86 8 T C C 89.00 5.14 12.22 18.97 114.75 -147.66 -94.97 133.27 84.91 11.03 4.06 69.79 8.45 5.65 1.53 2.57 0.00 6.03 5.98 9 L C C 98.59 7.42 10.35 18.98 111.02 -142.56 -90.60 122.27 85.09 9.59 5.33 46.96 19.24 19.75 1.37 3.78 0.01 5.72 3.16 10 S C C 79.63 3.69 12.57 17.66 109.45 -159.69 -91.41 88.99 88.86 6.23 4.90 43.02 27.32 19.21 1.30 3.40 0.00 3.62 2.13 11 S C C 63.16 6.43 11.37 19.27 115.15 -138.56 -99.56 127.69 90.67 5.06 4.26 59.37 27.71 3.77 2.47 1.68 0.00 2.62 2.38 12 P C C 84.36 6.29 12.55 20.26 107.41 -133.46 -70.26 119.86 83.25 3.31 13.44 45.35 15.33 23.14 7.78 5.20 0.01 1.93 1.26 13 L C C 95.72 7.46 12.43 20.89 107.54 -136.97 -85.09 93.47 72.56 7.09 20.35 39.19 16.38 17.78 13.85 6.06 0.09 3.79 2.86 14 V C C 67.48 8.97 12.68 22.81 115.14 75.93 -93.76 125.38 59.11 5.67 35.22 38.22 16.25 5.76 31.09 3.80 0.05 3.29 1.53 15 P C C 69.87 7.18 15.26 23.58 107.07 -112.33 -69.68 132.38 55.46 5.70 38.84 43.37 5.43 6.17 35.55 4.05 0.01 4.14 1.28 16 V H H 72.99 8.70 14.61 24.14 98.61 -145.67 -75.04 -29.74 39.59 6.93 53.48 25.88 7.18 7.93 46.76 5.50 0.08 5.18 1.49 17 W H H 107.15 9.90 15.13 25.59 98.69 54.59 -77.20 -27.20 34.91 5.58 59.51 21.95 6.56 8.10 52.73 5.20 0.11 4.08 1.27 18 N H H 72.49 8.63 17.23 26.37 101.57 53.42 -80.06 -17.35 37.14 2.95 59.92 24.20 6.42 7.63 55.94 3.14 0.03 1.94 0.71 19 D H H 66.52 10.25 17.26 27.73 94.88 51.05 -68.93 -36.63 21.57 1.39 77.03 14.82 3.68 4.48 74.03 1.79 0.01 0.86 0.32 20 L H H 73.00 8.76 18.42 27.65 93.81 53.83 -67.10 -39.24 5.67 0.51 93.83 3.20 1.03 2.18 91.71 1.39 0.02 0.39 0.09 21 R H H 101.13 8.93 20.12 29.19 93.28 52.20 -66.43 -40.82 3.92 0.55 95.52 2.15 0.65 1.62 93.58 1.41 0.02 0.50 0.07 22 A H H 25.75 13.49 18.28 32.25 93.17 51.91 -64.91 -40.87 3.98 0.54 95.48 2.04 0.63 1.77 93.51 1.47 0.02 0.49 0.07 23 L H H 59.30 11.47 20.36 31.86 93.26 51.03 -66.63 -39.36 4.52 0.51 94.96 2.12 0.65 2.13 93.08 1.48 0.02 0.45 0.07 24 Q H H 79.22 9.41 21.69 30.90 92.95 52.63 -66.65 -39.28 8.49 0.75 90.76 2.98 1.05 4.76 88.46 1.94 0.03 0.64 0.13 25 V H H 45.33 12.88 20.27 32.98 93.65 51.73 -67.45 -40.31 11.97 0.82 87.21 3.62 1.48 7.04 84.95 2.05 0.05 0.64 0.18 26 F H H 66.00 13.64 20.05 33.16 95.48 49.78 -75.01 -34.43 18.32 1.08 80.59 7.80 2.86 8.04 78.40 1.90 0.04 0.65 0.31 27 T H H 48.56 10.52 19.96 30.77 98.10 50.20 -75.73 -34.98 38.64 1.95 59.41 17.01 6.76 14.79 58.08 1.68 0.04 0.93 0.71 28 S H H 35.60 11.35 18.31 30.24 97.18 57.14 -72.11 -33.32 44.95 1.89 53.16 24.79 8.68 10.71 52.57 1.65 0.02 0.80 0.78 29 Q H H 75.09 11.30 17.25 28.63 94.35 57.52 -65.79 -37.21 9.24 0.31 90.45 4.37 1.97 3.60 88.32 1.46 0.02 0.18 0.08 30 E H H 100.19 3.65 19.51 23.16 93.69 53.40 -66.18 -39.96 5.03 0.36 94.61 1.95 0.81 2.72 92.30 1.82 0.04 0.29 0.06 31 Y H H 73.22 7.95 16.30 25.84 93.34 50.64 -66.36 -40.29 3.59 0.45 95.96 1.39 0.53 2.03 93.46 2.09 0.03 0.42 0.06 32 M H H 42.73 13.82 12.65 27.04 93.26 51.64 -66.28 -38.97 3.43 0.29 96.28 1.16 0.47 2.01 94.10 1.95 0.03 0.25 0.04 33 Q H H 110.76 4.38 15.62 21.19 93.15 52.86 -67.67 -34.37 8.24 0.19 91.57 1.33 0.89 6.08 89.33 2.13 0.06 0.13 0.06 34 K H H 142.39 1.94 15.72 17.74 96.66 49.69 -75.38 -30.34 17.13 0.20 82.67 1.81 1.81 13.62 80.70 1.79 0.07 0.10 0.09 35 R H H 131.86 5.31 13.14 19.67 100.93 40.01 -97.77 -6.13 34.64 0.66 64.70 7.10 9.16 20.27 61.21 1.46 0.14 0.19 0.47 36 G C C 29.34 6.77 13.90 22.22 126.16 -123.22 99.01 174.73 95.08 1.14 3.77 60.10 23.90 11.00 1.29 2.51 0.00 0.51 0.68 37 P C T 97.75 3.98 14.15 19.45 107.30 -51.90 -66.89 132.29 91.86 0.90 7.25 23.01 17.76 51.36 1.79 5.17 0.00 0.45 0.47 38 G C T 47.72 4.86 15.73 21.62 105.25 27.16 81.73 -8.03 89.75 1.60 8.65 27.61 16.66 45.97 2.60 5.59 0.00 0.85 0.71 39 F C C 80.93 12.84 12.34 25.22 105.61 106.84 -85.17 59.34 80.98 4.90 14.13 58.39 13.51 8.66 8.08 6.18 0.01 2.41 2.77 40 T C C 68.37 9.02 16.13 25.68 106.16 98.76 -89.06 7.14 74.17 5.71 20.12 51.65 13.28 8.73 16.60 4.29 0.02 3.05 2.38 41 N C C 84.45 7.22 17.65 25.32 101.02 64.07 -79.06 -25.31 68.03 4.05 27.92 42.13 18.14 7.96 24.59 3.72 0.03 2.13 1.32 42 T H H 54.64 9.22 18.43 28.25 101.99 58.87 -74.06 -38.38 42.69 3.02 54.28 29.55 8.88 5.47 50.98 2.69 0.02 1.49 0.93 43 L H H 39.18 17.24 16.44 33.05 93.67 52.56 -65.75 -39.48 8.01 0.47 91.52 4.14 1.48 3.06 86.96 3.89 0.02 0.34 0.10 44 E H H 79.36 11.42 19.49 30.89 91.87 53.97 -64.07 -40.38 4.69 0.62 94.69 2.03 0.70 2.27 89.59 4.74 0.02 0.59 0.07 45 Y H H 94.39 8.95 20.96 30.23 92.31 50.34 -66.40 -40.21 3.73 0.68 95.60 1.53 0.55 1.91 90.14 5.11 0.02 0.69 0.07 46 K H H 55.50 15.45 20.13 34.90 92.32 51.30 -65.58 -40.11 4.62 0.81 94.57 1.71 0.62 2.48 89.72 4.54 0.02 0.81 0.08 47 L H H 31.37 18.13 19.59 36.96 92.43 50.71 -66.46 -38.35 6.87 0.79 92.33 1.88 0.81 4.17 85.11 7.16 0.04 0.73 0.11 48 S H H 47.49 9.98 21.67 31.95 91.87 56.07 -68.84 -27.38 22.14 0.54 77.32 2.67 1.89 16.91 70.00 7.86 0.11 0.37 0.18 49 C H H 47.72 11.85 20.48 32.63 95.77 56.62 -83.13 -12.45 49.67 0.64 49.69 6.00 4.55 37.67 44.64 6.36 0.09 0.34 0.35 50 L C H 30.63 20.06 16.24 35.60 109.15 87.33 -84.10 109.99 66.03 3.79 30.18 24.21 22.60 20.37 25.08 4.04 0.15 1.45 2.10 51 N C C 63.04 9.34 22.34 31.79 113.84 138.65 -94.87 121.73 93.57 1.93 4.50 72.27 18.88 1.99 4.47 0.65 0.00 0.80 0.94 52 P H H 39.71 17.55 16.35 33.50 93.06 -137.47 -61.59 -32.76 28.41 0.67 70.92 12.44 5.01 11.27 67.63 3.04 0.02 0.34 0.25 53 V H H 69.55 8.00 20.34 28.74 92.34 58.25 -64.82 -39.38 14.74 0.58 84.68 5.09 2.21 7.92 80.73 3.43 0.05 0.41 0.16 54 K H H 82.94 8.92 20.96 30.16 92.39 50.54 -66.56 -39.69 7.45 0.79 91.76 3.29 1.15 3.60 86.86 4.21 0.03 0.73 0.13 55 W H H 26.35 20.14 17.38 37.16 92.11 50.87 -64.88 -42.59 3.68 0.73 95.60 1.72 0.54 1.73 91.73 3.47 0.01 0.72 0.08 56 Y H H 59.78 14.48 19.18 33.57 91.75 50.53 -63.83 -41.58 3.05 0.52 96.42 1.24 0.40 1.65 93.17 2.97 0.01 0.50 0.06 57 D H H 71.95 5.35 21.99 27.50 92.20 50.59 -65.35 -39.40 4.88 0.46 94.66 1.27 0.53 3.23 91.58 2.88 0.03 0.42 0.06 58 M H H 48.91 12.62 18.74 31.89 92.48 50.55 -67.04 -37.85 8.60 0.52 90.87 1.54 0.89 6.30 87.44 3.26 0.05 0.41 0.10 59 M H H 30.61 18.69 15.61 33.93 92.80 53.51 -69.40 -31.00 22.67 1.67 75.66 5.34 3.16 15.07 70.59 4.01 0.19 1.18 0.48 60 K H H 108.17 8.29 18.99 27.68 93.60 59.07 -71.77 -23.07 43.11 2.75 54.14 11.03 6.23 26.56 49.42 3.91 0.18 1.72 0.95 61 V C H 83.20 6.52 17.48 24.58 98.86 52.46 -88.37 -9.69 54.94 5.96 39.09 19.60 12.34 24.58 34.02 3.77 0.29 3.19 2.21 62 M C C 60.46 12.95 11.69 25.17 117.68 89.83 -97.06 135.22 86.47 5.89 7.64 45.59 34.80 6.07 6.42 1.65 0.02 2.69 2.76 63 P C T 84.71 5.72 15.36 22.23 109.71 -105.66 -64.62 139.62 82.39 2.02 15.59 29.59 13.48 39.79 9.40 5.69 0.02 1.11 0.92 64 G C T 52.30 4.14 16.30 21.46 101.37 11.08 74.35 -2.81 80.20 0.83 18.97 15.12 16.50 48.63 12.06 6.72 0.02 0.38 0.56 65 G C C 34.17 11.60 15.95 27.24 101.81 2.64 -18.86 -10.65 68.06 1.80 30.14 25.97 20.98 22.09 22.19 6.94 0.06 0.75 1.02 66 K H H 95.05 11.23 18.26 29.26 98.96 89.78 -73.47 -29.73 44.62 3.29 52.10 29.71 8.78 7.76 46.92 3.97 0.03 1.77 1.06 67 A H H 37.12 14.12 18.72 32.31 95.46 60.42 -67.98 -36.78 35.53 4.45 60.02 24.21 5.80 7.23 55.70 3.09 0.04 2.99 0.94 68 F H H 71.47 13.52 21.94 34.64 93.64 54.88 -67.85 -39.64 16.44 3.93 79.63 11.82 2.45 3.78 76.06 2.16 0.03 3.07 0.63 69 V H H 40.40 15.05 23.08 37.40 92.50 51.74 -65.23 -42.31 3.18 0.83 95.98 1.69 0.43 1.17 94.93 0.89 0.01 0.79 0.08 70 G H H 13.63 16.63 22.30 38.38 92.57 51.15 -64.59 -42.18 2.17 0.48 97.35 0.84 0.26 1.03 96.64 0.72 0.01 0.46 0.05 71 T H H 39.04 14.27 24.69 38.26 92.43 49.18 -65.18 -41.98 1.90 0.30 97.80 0.71 0.23 0.94 97.21 0.61 0.01 0.25 0.04 72 A H H 23.68 14.80 23.99 38.55 92.21 49.96 -64.63 -42.21 1.56 0.09 98.35 0.45 0.18 0.90 97.94 0.45 0.01 0.06 0.02 73 L H H 38.77 15.70 24.17 39.21 92.31 49.36 -65.01 -42.01 1.80 0.05 98.15 0.36 0.17 1.24 97.41 0.77 0.01 0.03 0.01 74 G H H 14.01 15.79 21.84 37.41 92.28 51.07 -63.42 -41.97 2.94 0.05 97.01 0.44 0.23 2.23 95.63 1.42 0.01 0.03 0.01 75 L H H 54.13 12.89 22.30 34.91 92.53 50.06 -65.47 -39.54 4.19 0.08 95.73 0.55 0.33 3.30 93.23 2.49 0.02 0.05 0.02 76 A H H 34.26 13.53 20.72 33.98 92.79 52.51 -67.70 -35.13 10.50 0.21 89.28 1.04 0.77 8.67 86.34 2.92 0.06 0.14 0.07 77 L H H 57.73 14.14 19.91 33.35 95.49 48.37 -75.93 -31.19 24.94 0.67 74.39 2.50 2.22 20.05 71.58 2.82 0.18 0.40 0.25 78 F C H 75.36 13.37 17.14 30.20 102.59 54.33 -90.74 3.78 53.27 3.42 43.31 12.09 11.63 30.22 39.45 3.17 0.26 1.61 1.57 79 G C T 40.26 8.64 17.84 26.68 105.32 -120.30 61.02 -0.83 76.28 1.44 22.28 15.47 11.99 47.73 19.31 4.09 0.03 0.72 0.66 80 G C T 39.78 8.26 18.03 26.47 103.68 -5.21 29.97 -45.12 67.52 1.52 30.96 16.37 15.49 35.78 24.89 5.91 0.07 0.77 0.72 81 W C H 115.39 10.86 18.21 28.89 99.58 44.30 -79.43 -21.93 52.12 3.91 43.98 23.10 12.22 17.93 37.92 5.18 0.13 2.24 1.28 82 G H H 15.27 16.16 17.80 33.27 98.65 59.87 -62.79 -41.22 42.66 4.07 53.27 25.25 7.62 10.89 48.44 4.15 0.05 2.65 0.95 83 V H H 48.32 13.31 18.39 31.57 95.37 53.22 -67.67 -38.13 13.34 3.36 83.30 9.15 2.18 3.27 78.22 3.58 0.02 3.20 0.38 84 E H H 92.75 6.25 21.88 28.28 93.52 56.77 -66.16 -39.12 7.79 5.87 86.34 4.58 1.15 2.40 80.62 4.18 0.03 6.73 0.31 85 F H H 43.37 15.20 18.80 33.86 93.58 51.80 -67.05 -40.73 5.84 5.35 88.81 3.09 0.81 2.02 83.25 4.29 0.02 6.31 0.22 86 V H H 26.04 18.60 17.58 35.48 93.15 51.41 -65.90 -40.37 5.84 4.12 90.04 2.71 0.79 2.33 85.37 3.82 0.03 4.72 0.22 87 K H H 108.49 7.23 20.57 28.19 92.44 54.78 -66.55 -34.71 15.52 3.59 80.89 3.67 1.73 9.88 76.56 4.12 0.13 3.49 0.42 88 N H H 74.76 7.83 19.34 27.71 95.41 48.97 -85.54 -15.35 34.73 2.23 63.04 7.06 3.30 23.65 60.66 3.08 0.09 1.70 0.46 89 I H H 33.48 18.62 14.02 31.87 97.69 75.07 -70.70 -34.96 32.71 6.43 60.87 20.95 5.95 7.04 56.41 3.55 0.06 5.04 0.99 90 S H H 53.13 8.25 18.48 27.19 97.31 61.36 -70.86 -29.48 31.49 9.42 59.09 21.52 3.64 6.34 54.01 4.49 0.04 9.02 0.95 91 V H H 69.00 7.59 17.03 25.42 96.81 60.28 -75.24 -31.43 26.30 11.64 62.07 15.18 4.45 7.42 54.43 6.00 0.12 11.21 1.17 92 M H H 67.16 11.98 14.41 26.77 98.60 59.87 -78.26 -20.90 30.62 10.19 59.20 17.36 5.61 8.92 52.18 5.44 0.13 8.93 1.43 93 T C H 56.94 11.09 12.61 24.23 104.17 62.58 -85.34 -9.23 46.12 8.28 45.60 25.88 7.94 13.07 40.63 4.32 0.10 6.37 1.68 94 K C H 142.95 3.20 14.27 18.62 99.72 71.21 -81.97 -10.91 64.58 5.27 30.15 24.85 17.65 22.63 26.07 4.00 0.10 3.23 1.47 95 E C C 118.98 4.48 12.75 18.79 112.26 80.73 -89.66 130.84 77.71 4.37 17.92 31.75 23.14 23.34 14.18 3.64 0.04 2.40 1.51 96 K C C 126.09 5.75 13.16 20.71 115.92 -120.04 -96.58 131.45 96.95 2.48 0.57 50.68 45.77 0.96 0.31 0.20 0.00 1.14 0.94 97 P C C 58.62 9.98 12.36 23.62 116.35 -110.07 -67.34 151.54 98.79 0.77 0.44 90.38 7.42 1.08 0.17 0.21 0.00 0.48 0.26 98 P C C 77.77 7.24 14.96 23.38 110.95 -100.77 -66.22 146.34 94.65 2.60 2.74 82.94 7.54 4.24 1.08 1.50 0.00 1.48 1.22 99 I C C 78.50 11.72 11.63 23.80 113.00 -133.00 -90.78 130.59 78.40 15.00 6.61 59.34 12.24 5.76 3.49 3.34 0.02 8.83 6.98 100 D C C 92.41 4.70 15.75 21.55 109.43 -144.06 -94.15 109.75 79.67 12.53 7.80 66.01 7.87 5.38 4.17 3.63 0.00 9.93 3.02 101 W C C 92.81 13.55 11.21 24.78 105.61 -168.74 -89.22 34.84 70.98 11.62 17.40 46.12 11.70 13.04 11.45 6.21 0.03 8.27 3.17 102 N C C 82.13 5.81 14.90 21.90 104.95 64.35 -86.58 71.93 71.40 7.16 21.44 42.88 14.73 14.19 14.93 6.42 0.04 4.50 2.30 103 N C H 81.12 9.45 11.69 21.93 97.74 65.44 -74.51 -13.27 48.95 3.34 47.71 24.74 11.96 13.32 29.53 17.21 0.09 1.85 1.30 104 E H H 126.47 3.15 14.03 18.30 96.10 73.15 -72.20 -29.00 38.20 2.31 59.49 11.45 7.33 18.96 32.83 26.94 0.19 1.42 0.87 105 K H H 117.45 5.62 14.00 20.75 98.97 56.09 -81.27 -16.91 37.32 3.99 58.69 11.98 7.10 18.07 32.79 25.86 0.30 2.62 1.28 106 L H H 66.05 11.97 11.29 23.46 103.04 60.09 -86.30 -1.31 47.01 5.24 47.75 16.71 10.72 20.55 27.87 18.62 0.39 3.07 2.07 107 G C T 41.93 5.49 14.98 21.68 111.85 -118.50 81.03 4.28 72.71 6.62 20.68 27.70 15.54 30.45 11.88 8.19 0.07 4.35 1.82 108 H C C 113.72 6.12 13.55 21.01 109.81 27.09 -91.50 118.09 69.02 13.50 17.47 36.79 14.99 17.84 8.75 8.54 0.08 9.85 3.16 109 L C C 84.73 9.52 10.71 21.19 112.71 -146.71 -89.01 126.37 66.42 19.19 14.40 42.00 13.83 10.94 7.31 7.02 0.07 14.98 3.84 110 T C C 90.12 4.47 11.39 17.62 113.88 -162.75 -98.71 127.21 65.70 23.51 10.79 44.15 11.70 9.70 5.41 5.32 0.05 19.33 4.34 111 R C C 156.89 4.00 9.48 15.39 111.64 -139.17 -90.11 125.54 76.81 18.22 4.97 69.04 2.53 4.97 2.65 1.79 0.00 15.50 3.52 112 S C C 79.53 3.76 11.18 16.74 112.65 -139.77 -90.65 130.31 99.81 0.17 0.02 99.74 0.09 0.05 0.01 0.00 0.00 0.10 0.01