# 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 113.76 5.79 12.62 19.74 112.10 -163.96 -91.28 127.68 99.86 0.09 0.05 99.77 0.09 0.06 0.02 0.00 0.00 0.04 0.01 1 A C C 70.67 5.06 10.44 16.98 111.97 -131.48 -81.68 133.61 85.00 1.83 13.16 76.19 1.43 8.00 10.44 2.04 0.00 1.01 0.89 2 G C C 46.97 4.33 10.86 16.55 106.09 -110.66 -74.18 151.09 77.45 1.78 20.77 50.15 13.22 13.41 17.70 3.76 0.00 0.84 0.91 3 R C H 150.70 4.32 11.11 16.78 98.27 -110.58 -74.17 -27.45 55.73 1.34 42.93 37.01 11.44 7.99 37.80 4.57 0.01 0.61 0.57 4 S H H 70.21 3.69 12.15 17.11 98.92 56.64 -71.86 -31.07 46.36 1.14 52.50 33.64 6.96 6.63 46.85 4.92 0.01 0.59 0.40 5 A H H 65.99 4.24 12.62 18.21 97.51 53.14 -74.23 -28.49 38.59 1.49 59.91 27.39 5.90 6.89 53.17 5.32 0.01 0.84 0.48 6 V H H 80.33 6.20 11.93 19.54 98.92 51.54 -79.20 -25.63 34.87 1.78 63.35 23.58 6.31 6.97 56.83 4.74 0.03 0.98 0.57 7 S H H 60.55 4.95 13.59 19.87 103.30 53.57 -77.27 -25.98 37.46 1.40 61.14 25.27 6.21 7.34 56.10 3.86 0.02 0.72 0.49 8 A H H 64.03 3.95 14.15 18.94 99.08 51.05 -71.11 -35.60 36.42 0.90 62.68 21.30 6.80 9.36 58.12 3.61 0.02 0.43 0.36 9 S H H 57.80 4.46 14.56 20.12 99.22 52.27 -71.98 -35.09 36.16 0.63 63.22 19.65 6.61 10.84 59.07 3.24 0.02 0.27 0.30 10 S H H 53.40 6.81 13.03 21.18 95.79 54.03 -68.44 -34.94 26.28 0.33 73.38 13.88 4.81 8.27 69.48 3.24 0.01 0.15 0.16 11 K H H 135.32 2.15 15.42 17.94 93.43 56.79 -66.10 -38.53 13.05 0.21 86.74 5.87 2.28 5.65 82.03 3.95 0.02 0.11 0.09 12 W H H 145.36 2.91 15.71 19.06 92.85 51.34 -65.78 -41.26 7.29 0.15 92.56 2.89 1.12 3.65 88.49 3.69 0.02 0.09 0.05 13 L H H 64.37 8.24 14.23 23.72 92.80 50.34 -65.38 -40.60 5.00 0.08 94.92 1.91 0.75 2.56 92.08 2.62 0.01 0.05 0.02 14 D H H 73.46 5.32 16.06 22.56 92.24 51.50 -64.59 -40.16 5.56 0.06 94.39 1.50 0.69 3.44 92.58 1.73 0.02 0.03 0.02 15 G H H 34.55 2.81 17.24 20.28 92.23 50.83 -64.10 -40.96 9.09 0.05 90.87 1.35 0.83 6.83 89.63 1.28 0.03 0.02 0.02 16 F H H 94.45 5.14 16.96 22.93 92.54 50.49 -66.16 -41.05 4.97 0.03 95.00 1.12 0.57 3.14 94.43 0.72 0.01 0.01 0.02 17 R H H 90.88 10.58 15.68 26.77 91.90 52.53 -63.20 -41.45 0.99 0.00 99.01 0.26 0.09 0.49 98.96 0.20 0.00 0.00 0.00 18 K H H 112.26 4.74 17.75 23.40 91.90 51.18 -63.94 -40.92 0.49 0.00 99.50 0.09 0.04 0.29 99.43 0.16 0.00 0.00 0.00 19 W H H 140.28 2.67 18.95 21.20 92.35 49.95 -64.90 -41.96 0.35 0.00 99.65 0.05 0.03 0.21 99.56 0.15 0.00 0.00 0.00 20 Y H H 84.15 8.63 17.05 26.67 92.46 48.96 -65.07 -42.31 0.50 0.00 99.50 0.06 0.04 0.34 99.38 0.17 0.00 0.00 0.00 21 Y H H 60.32 13.09 14.82 28.51 92.64 48.62 -64.86 -41.70 1.21 0.01 98.79 0.12 0.09 0.91 98.57 0.30 0.01 0.00 0.00 22 N H H 90.84 4.84 17.50 23.23 92.33 49.96 -65.34 -39.40 3.87 0.01 96.12 0.26 0.23 3.27 95.65 0.57 0.01 0.00 0.00 23 A H H 66.78 3.96 17.80 22.26 92.05 52.03 -68.45 -31.13 13.25 0.02 86.73 0.48 0.73 12.04 85.81 0.90 0.02 0.01 0.01 24 A C T 37.10 10.88 14.66 26.64 94.39 52.34 -84.69 -7.00 68.02 0.22 31.76 1.73 5.50 59.11 31.80 1.54 0.05 0.07 0.20 25 G C T 29.60 6.44 19.02 26.93 97.06 -115.29 78.95 13.37 85.66 0.31 14.04 8.46 6.87 70.07 11.21 3.01 0.01 0.11 0.25 26 F H H 30.03 18.87 12.99 32.01 94.39 127.98 -68.53 -33.06 30.09 0.35 69.56 5.70 4.19 18.70 39.99 30.94 0.10 0.16 0.22 27 N H G 74.02 11.80 15.80 27.70 92.27 60.40 -65.19 -29.51 18.58 0.26 81.16 2.07 1.83 12.99 37.71 45.08 0.07 0.15 0.10 28 K H G 151.58 1.87 19.45 21.16 91.97 56.27 -70.14 -24.49 19.69 0.23 80.09 1.64 1.94 14.16 37.21 44.72 0.10 0.12 0.12 29 L H G 65.83 11.03 15.57 27.26 94.37 53.72 -88.60 -3.94 42.34 0.36 57.30 2.06 5.39 32.60 26.68 32.63 0.13 0.17 0.34 30 G C T 32.58 7.27 20.36 28.59 100.75 -106.53 83.78 15.69 98.57 0.16 1.27 16.48 6.47 75.85 0.54 0.48 0.00 0.09 0.08 31 L C C 26.66 20.54 12.61 32.88 112.85 147.74 -84.41 127.51 97.06 1.11 1.84 93.65 2.60 1.09 0.93 0.54 0.00 0.47 0.73 32 M C C 69.56 8.84 20.43 29.61 125.54 -168.13 -106.32 157.65 90.69 2.64 6.67 83.06 5.03 2.27 4.17 1.92 0.00 0.74 2.81 33 R H G 114.57 12.17 15.63 27.83 92.79 -109.75 -60.08 -33.41 25.05 0.57 74.38 4.39 3.84 15.93 28.38 46.84 0.04 0.33 0.25 34 D H G 92.46 5.79 18.42 25.07 91.66 61.60 -70.91 -16.43 23.61 0.26 76.13 2.76 2.77 16.55 27.19 50.45 0.02 0.14 0.12 35 D H G 50.13 13.67 15.13 29.05 96.19 62.42 -89.20 -3.50 24.49 0.49 75.01 6.40 4.31 13.21 26.51 49.05 0.02 0.27 0.22 36 T C C 40.62 15.71 13.63 29.12 114.77 77.22 -103.22 118.01 56.26 5.36 38.38 26.73 15.44 15.48 19.13 17.33 0.22 1.99 3.68 37 L C C 81.91 10.20 15.74 26.35 112.11 -143.32 -95.78 125.81 86.98 5.23 7.80 53.90 23.62 9.22 4.16 3.37 0.01 2.18 3.53 38 H C C 113.67 5.96 16.55 23.55 113.20 -123.25 -96.30 121.37 96.17 1.43 2.40 85.14 5.99 5.19 1.19 0.97 0.00 0.76 0.77 39 E C C 90.04 12.94 11.36 24.33 115.54 -152.16 -99.17 122.59 98.54 0.71 0.75 88.39 8.83 1.32 0.43 0.24 0.00 0.28 0.50 40 T C C 54.29 5.74 13.86 21.29 129.04 171.38 -120.53 166.49 98.78 0.25 0.97 89.72 8.37 0.62 0.87 0.12 0.00 0.07 0.22 41 E H H 150.28 1.30 15.00 16.24 91.22 -98.58 -59.71 -36.88 4.50 0.01 95.49 0.76 0.81 2.64 95.21 0.57 0.00 0.00 0.00 42 D H H 83.71 4.30 15.92 21.25 92.51 52.28 -66.31 -38.64 3.27 0.01 96.73 0.44 0.32 2.31 96.27 0.65 0.00 0.00 0.00 43 V H H 16.33 18.41 11.90 30.27 92.95 46.84 -67.96 -40.94 1.27 0.00 98.72 0.29 0.12 0.73 98.28 0.57 0.00 0.00 0.00 44 K H H 91.56 7.76 17.27 26.03 91.50 53.14 -62.49 -41.69 0.41 0.00 99.59 0.10 0.04 0.20 99.46 0.20 0.00 0.00 0.00 45 E H H 96.02 2.14 20.71 21.56 91.62 50.22 -63.99 -41.71 0.48 0.00 99.52 0.07 0.03 0.30 99.28 0.31 0.00 0.00 0.00 46 A H H 17.26 12.60 16.18 30.38 92.08 50.69 -64.49 -41.32 0.90 0.00 99.10 0.08 0.05 0.66 98.57 0.65 0.00 0.00 0.00 47 I H H 31.70 17.63 14.32 31.74 92.16 50.92 -65.55 -35.52 2.37 0.01 97.63 0.13 0.12 2.01 94.77 2.96 0.00 0.00 0.00 48 R H H 162.04 2.49 18.58 21.70 90.96 58.12 -67.26 -25.88 26.70 0.02 73.29 0.36 0.52 27.22 68.73 3.13 0.01 0.01 0.01 49 R C T 153.54 2.90 17.10 20.41 93.79 55.65 -85.35 -10.11 63.02 0.03 36.95 0.91 1.85 60.68 33.67 2.84 0.00 0.01 0.03 50 L C S 27.28 19.11 6.98 24.49 120.98 97.82 -81.77 147.64 99.77 0.11 0.12 7.07 92.53 0.22 0.07 0.01 0.00 0.02 0.08 51 P C C 71.21 2.91 16.66 19.89 114.52 -102.52 -63.14 147.94 99.85 0.05 0.10 99.62 0.22 0.05 0.07 0.00 0.00 0.01 0.03 52 E H H 139.08 3.12 12.57 17.56 91.79 -110.89 -57.49 -38.06 2.71 0.00 97.29 0.29 0.31 1.92 96.34 1.14 0.00 0.00 0.00 53 D H H 106.20 1.63 16.33 17.78 91.74 53.74 -64.99 -37.91 2.26 0.00 97.74 0.14 0.14 1.95 96.10 1.67 0.00 0.00 0.00 54 L H H 45.20 10.99 14.61 26.81 92.42 48.53 -66.95 -40.50 0.99 0.00 99.01 0.13 0.07 0.69 97.59 1.52 0.00 0.00 0.00 55 Y H H 64.56 11.76 15.41 28.12 91.78 51.49 -63.22 -42.92 0.30 0.00 99.70 0.05 0.02 0.16 99.59 0.18 0.00 0.00 0.00 56 N H H 81.52 3.37 20.64 23.83 91.52 49.73 -64.31 -41.30 0.30 0.00 99.70 0.03 0.01 0.19 99.69 0.08 0.00 0.00 0.00 57 D H H 53.60 7.59 19.56 28.22 91.45 50.34 -64.81 -41.24 0.25 0.00 99.75 0.02 0.01 0.17 99.74 0.07 0.00 0.00 0.00 58 R H H 51.83 15.39 18.29 33.60 91.60 50.64 -64.27 -41.45 0.31 0.00 99.69 0.02 0.01 0.22 99.66 0.08 0.00 0.00 0.00 59 M H H 71.05 8.49 21.54 30.44 91.40 50.69 -63.91 -41.76 0.32 0.00 99.68 0.03 0.01 0.21 99.71 0.04 0.00 0.00 0.00 60 F H H 84.36 5.88 22.33 28.69 91.57 50.54 -63.95 -42.62 0.13 0.00 99.86 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 61 R H H 56.63 14.61 20.01 34.44 91.90 50.70 -63.77 -42.15 0.14 0.00 99.86 0.01 0.01 0.09 99.86 0.03 0.00 0.00 0.00 62 I H H 44.98 13.99 20.29 34.24 91.75 49.84 -64.58 -41.78 0.13 0.00 99.87 0.01 0.01 0.08 99.87 0.03 0.00 0.00 0.00 63 K H H 101.39 5.08 23.62 28.72 91.60 50.21 -63.91 -41.97 0.21 0.00 99.79 0.02 0.01 0.13 99.78 0.06 0.00 0.00 0.00 64 R H H 79.94 9.71 21.40 31.47 91.88 49.67 -64.76 -41.60 0.63 0.00 99.37 0.04 0.03 0.46 99.20 0.26 0.00 0.00 0.00 65 A H H 14.45 17.02 17.00 34.47 91.88 51.29 -64.32 -40.82 1.99 0.00 98.01 0.13 0.10 1.55 97.23 0.98 0.00 0.00 0.00 66 L H H 72.42 7.55 20.50 28.45 91.79 51.99 -65.25 -37.53 11.23 0.02 88.74 0.53 0.60 10.13 86.65 2.04 0.02 0.01 0.01 67 D H H 74.32 4.18 20.05 24.42 93.60 51.17 -75.44 -23.04 34.05 0.12 65.83 3.09 2.11 28.26 63.63 2.76 0.03 0.05 0.08 68 L H H 27.68 13.86 12.07 27.11 93.92 73.89 -66.17 -36.04 30.19 0.78 69.02 14.18 5.13 11.86 54.39 13.58 0.07 0.36 0.44 69 T H H 69.16 7.59 14.24 22.95 93.82 57.03 -66.40 -37.76 27.15 0.60 72.25 8.69 3.49 14.22 53.46 19.45 0.07 0.33 0.28 70 M H H 131.56 2.27 14.33 17.06 92.76 52.30 -69.82 -29.28 31.64 0.49 67.87 5.17 4.25 20.67 49.25 19.96 0.16 0.25 0.30 71 R C T 141.91 2.98 13.58 17.44 96.75 45.48 -91.53 -1.71 59.31 0.52 40.17 7.01 9.72 41.52 26.91 14.08 0.07 0.23 0.46 72 H C T 135.27 4.70 12.53 19.15 94.91 -122.18 56.73 38.89 89.71 0.42 9.87 21.18 11.10 58.07 5.96 3.23 0.00 0.18 0.27 73 Q C C 96.91 5.84 14.55 22.13 120.25 148.47 -105.49 139.10 95.55 1.69 2.76 80.89 10.95 3.77 1.07 1.50 0.00 0.81 1.01 74 I C C 97.62 7.98 16.10 25.20 115.04 -135.05 -89.74 128.72 94.20 4.74 1.05 86.06 6.50 1.19 0.47 0.53 0.00 1.69 3.57 75 L C C 26.83 19.15 9.53 28.03 116.84 -121.02 -80.98 135.78 98.42 1.54 0.04 90.95 7.67 0.07 0.02 0.01 0.00 0.73 0.55 76 P C C 63.95 3.65 17.88 21.99 113.99 -106.54 -64.37 148.31 99.55 0.38 0.06 99.25 0.37 0.05 0.02 0.01 0.00 0.16 0.14 77 K H G 136.09 6.27 11.42 19.69 91.01 -115.33 -57.24 -35.38 11.09 0.05 88.86 0.98 1.07 8.50 6.43 82.98 0.00 0.03 0.01 78 D H G 121.88 1.00 15.06 15.36 90.67 60.08 -69.39 -18.14 10.36 0.04 89.61 0.55 0.74 8.67 6.16 83.85 0.00 0.02 0.01 79 Q H G 76.06 9.29 12.83 23.40 95.83 53.63 -92.99 -6.07 10.39 0.11 89.50 1.78 1.43 6.75 6.78 83.18 0.00 0.07 0.02 80 W C C 62.00 16.73 10.67 26.85 114.46 93.14 -82.60 133.87 80.29 2.20 17.52 57.11 18.69 4.46 12.22 4.71 0.00 0.63 2.16 81 T C C 54.31 9.14 14.95 25.38 115.73 -152.09 -95.71 141.35 85.93 2.41 11.66 70.79 9.55 5.27 8.46 3.28 0.00 1.00 1.65 82 K C C 123.85 4.75 16.74 22.48 102.16 -125.86 -74.93 -17.14 76.01 2.84 21.15 53.15 14.75 8.11 14.47 6.52 0.01 1.23 1.76 83 Y C C 98.10 9.86 13.59 24.26 97.24 58.93 -69.83 -28.93 63.29 1.77 34.93 37.60 11.47 13.91 18.83 16.34 0.01 0.87 0.97 84 E C C 78.29 9.70 12.62 23.19 96.26 63.29 -76.05 -18.37 59.59 1.33 39.08 36.09 9.05 13.98 18.92 20.54 0.01 0.64 0.77 85 E C T 103.79 6.60 13.19 21.13 94.78 69.69 -71.87 -24.01 59.30 0.90 39.80 20.12 12.23 26.88 18.71 20.97 0.03 0.39 0.68 86 D C T 94.39 4.83 13.93 19.90 97.35 52.01 -87.86 -1.41 68.50 0.80 30.70 24.86 14.59 29.57 14.88 15.11 0.02 0.33 0.64 87 K C C 99.56 7.99 13.42 22.59 114.54 85.20 -99.63 120.83 80.06 1.50 18.44 43.81 25.15 11.27 11.08 6.89 0.01 0.54 1.25 88 F C C 109.27 7.96 14.90 23.89 106.25 -130.55 -82.28 106.21 78.18 1.78 20.05 54.55 8.33 15.05 8.80 11.23 0.00 0.89 1.16 89 Y C T 87.45 11.69 16.35 28.21 99.61 48.57 -75.47 -26.90 79.31 0.94 19.75 13.50 14.17 51.58 8.85 10.69 0.02 0.43 0.76 90 L C T 28.83 18.95 14.27 32.62 95.65 54.74 -83.09 -13.76 58.86 0.39 40.74 9.16 7.46 40.91 29.82 12.06 0.06 0.16 0.38 91 E H H 79.20 8.72 17.75 27.55 92.35 83.25 -60.98 -42.89 3.85 0.01 96.14 1.24 0.62 1.71 95.31 1.11 0.00 0.00 0.00 92 P H H 56.95 4.83 19.87 25.49 91.71 50.62 -64.14 -39.01 1.87 0.00 98.12 0.42 0.16 1.13 97.27 1.02 0.00 0.00 0.00 93 Y H H 48.88 14.44 18.07 32.84 92.04 50.95 -65.04 -41.59 0.58 0.00 99.42 0.10 0.04 0.35 98.69 0.80 0.00 0.00 0.00 94 L H H 36.07 14.95 17.85 33.10 92.05 50.62 -64.02 -41.43 0.22 0.00 99.78 0.04 0.01 0.11 99.70 0.13 0.00 0.00 0.00 95 K H H 112.15 3.40 22.05 25.31 91.55 50.16 -63.93 -41.15 0.08 0.00 99.92 0.01 0.00 0.04 99.92 0.02 0.00 0.00 0.00 96 E H H 71.80 6.35 20.41 27.60 91.77 50.34 -64.57 -41.59 0.06 0.00 99.94 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 97 V H H 19.60 15.22 17.52 33.78 92.13 49.85 -64.36 -43.21 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 98 I H H 56.03 7.79 19.35 28.36 91.57 49.65 -63.39 -42.58 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 99 R H H 120.14 2.64 20.93 22.86 91.79 49.59 -64.08 -41.93 0.09 0.00 99.91 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 100 E H H 64.30 7.71 17.61 26.62 92.01 49.91 -64.98 -40.98 0.13 0.00 99.87 0.01 0.00 0.08 99.90 0.01 0.00 0.00 0.00 101 R H H 90.29 8.29 17.01 26.25 91.96 50.47 -64.39 -40.93 0.17 0.00 99.83 0.01 0.01 0.10 99.87 0.02 0.00 0.00 0.00 102 K H H 112.30 2.41 18.62 20.64 91.69 50.21 -64.02 -40.78 0.20 0.00 99.80 0.02 0.01 0.11 99.84 0.02 0.00 0.00 0.00 103 E H H 92.31 3.04 16.86 20.33 92.01 49.81 -64.99 -41.09 0.29 0.00 99.71 0.03 0.01 0.17 99.76 0.04 0.00 0.00 0.00 104 R H H 104.24 5.34 15.09 21.54 92.01 50.19 -65.11 -41.09 0.34 0.00 99.66 0.04 0.02 0.19 99.69 0.06 0.00 0.00 0.00 105 E H H 94.42 2.70 14.94 18.27 91.80 50.23 -63.99 -41.06 0.57 0.00 99.43 0.06 0.03 0.34 99.42 0.13 0.00 0.00 0.00 106 E H H 104.41 1.70 14.31 15.83 91.92 50.40 -64.41 -40.78 1.69 0.00 98.31 0.18 0.10 1.17 98.11 0.45 0.00 0.00 0.00 107 W H H 132.48 3.22 11.57 16.17 92.36 50.27 -67.42 -37.83 4.30 0.00 95.70 0.39 0.26 3.21 94.67 1.45 0.00 0.00 0.00 108 A H H 72.47 2.82 10.26 14.45 92.31 53.62 -69.05 -29.08 17.46 0.02 82.52 1.10 0.97 14.76 81.95 1.19 0.01 0.00 0.01 109 K C H 155.10 1.13 10.44 11.82 95.20 53.95 -80.17 -10.33 52.98 0.09 46.92 12.20 1.42 37.00 47.92 1.37 0.00 0.03 0.07 110 K C C 146.04 2.61 11.06 15.24 101.44 92.02 -74.28 49.70 99.92 0.02 0.05 99.58 0.20 0.16 0.04 0.00 0.00 0.01 0.01