# 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 102.40 8.69 13.23 22.84 115.09 -163.05 -95.58 132.29 99.90 0.08 0.01 99.86 0.07 0.03 0.00 0.00 0.00 0.03 0.01 1 S C C 69.61 6.16 11.86 19.53 116.63 -153.88 -96.75 140.00 91.86 3.29 4.85 87.24 1.20 4.37 2.30 1.62 0.00 2.01 1.27 2 S C C 74.34 4.86 12.28 18.64 112.13 -151.16 -94.82 128.60 85.06 5.93 9.02 56.99 16.27 12.04 4.55 4.25 0.01 3.60 2.30 3 Y C C 118.26 9.84 10.54 20.94 108.36 -152.37 -92.51 85.56 79.64 7.20 13.16 54.86 14.64 10.01 8.12 5.17 0.02 4.15 3.03 4 T C C 82.53 5.82 13.80 20.84 108.67 124.75 -91.08 100.69 74.56 5.00 20.43 45.32 13.74 15.74 13.30 7.05 0.02 2.84 2.00 5 G C C 39.89 7.10 15.15 23.07 104.77 18.56 44.80 -24.64 68.93 3.00 28.08 33.46 16.67 19.84 15.40 11.63 0.04 1.43 1.54 6 A C C 49.45 11.47 12.48 24.15 98.53 56.95 -76.72 -19.28 52.78 2.81 44.42 29.37 10.11 14.01 16.44 27.37 0.02 1.50 1.18 7 A C G 66.46 7.18 14.05 22.38 99.05 66.82 -74.28 -15.29 55.20 3.42 41.38 23.97 11.69 20.68 14.15 26.15 0.05 1.88 1.42 8 L C C 112.28 4.65 15.24 20.91 101.08 54.29 -91.39 5.53 61.21 3.83 34.97 27.83 13.75 21.17 10.67 22.76 0.06 1.97 1.81 9 A C C 39.81 12.89 10.98 24.32 118.46 103.43 -85.09 144.31 96.83 1.47 1.71 51.39 44.73 0.94 1.30 0.37 0.00 0.51 0.77 10 P C C 83.74 4.57 17.56 23.03 114.55 -101.40 -66.86 149.38 92.68 1.78 5.54 85.52 4.78 2.48 4.11 1.28 0.00 0.79 1.04 11 K C C 112.28 10.64 14.04 25.17 112.15 -103.71 -71.74 139.92 89.34 1.77 8.89 74.84 10.50 3.54 7.37 1.80 0.00 0.65 1.30 12 S C C 35.39 11.80 12.06 24.73 116.68 -122.71 -82.02 143.02 86.56 1.57 11.87 75.31 8.06 2.51 11.17 1.43 0.00 0.54 0.98 13 E H H 144.34 1.50 17.21 18.34 92.62 -127.55 -62.53 -34.79 4.48 0.03 95.49 1.85 1.02 1.73 94.65 0.72 0.00 0.01 0.01 14 R H H 123.55 4.60 17.58 23.01 92.06 53.08 -65.15 -40.38 1.67 0.01 98.32 0.46 0.21 0.91 97.77 0.65 0.00 0.00 0.00 15 L H H 15.78 19.44 13.05 32.57 92.08 49.74 -65.41 -41.51 0.83 0.01 99.16 0.29 0.09 0.40 98.58 0.62 0.00 0.01 0.00 16 R H H 106.89 8.37 19.20 28.17 91.61 51.83 -63.03 -41.65 0.42 0.00 99.58 0.14 0.04 0.20 99.44 0.18 0.00 0.00 0.00 17 L H H 87.00 2.30 22.64 23.40 91.70 49.64 -64.17 -42.11 0.37 0.00 99.63 0.09 0.03 0.20 99.59 0.09 0.00 0.00 0.00 18 A H H 21.30 11.18 18.68 31.36 91.82 50.31 -64.03 -42.41 0.36 0.00 99.64 0.06 0.02 0.21 99.62 0.07 0.00 0.00 0.00 19 F H H 30.65 17.67 16.93 34.71 92.26 49.84 -64.83 -41.43 0.37 0.00 99.63 0.06 0.02 0.22 99.63 0.06 0.00 0.00 0.00 20 E H H 97.33 3.82 22.59 26.21 91.59 50.70 -63.58 -41.88 0.27 0.00 99.73 0.04 0.02 0.15 99.75 0.04 0.00 0.00 0.00 21 E H H 100.30 2.94 22.76 24.90 91.82 49.04 -64.88 -41.16 0.32 0.00 99.68 0.05 0.02 0.19 99.70 0.04 0.00 0.00 0.00 22 K H H 41.18 15.29 17.62 33.12 91.92 50.34 -64.73 -40.88 0.40 0.00 99.60 0.06 0.02 0.25 99.62 0.06 0.00 0.00 0.00 23 Q H H 62.30 11.92 19.11 31.23 91.62 51.40 -63.22 -41.42 0.66 0.00 99.34 0.10 0.04 0.42 99.36 0.08 0.00 0.00 0.00 24 K H H 118.47 1.83 23.94 23.79 91.55 50.06 -63.93 -41.77 0.79 0.00 99.21 0.14 0.06 0.48 99.26 0.07 0.00 0.00 0.00 25 D H H 54.86 7.19 21.18 29.09 91.73 49.68 -64.87 -41.14 0.73 0.00 99.27 0.16 0.06 0.41 99.31 0.07 0.00 0.00 0.00 26 H H H 25.69 18.86 16.72 35.45 91.74 51.10 -64.09 -41.48 0.41 0.00 99.59 0.08 0.03 0.24 99.60 0.06 0.00 0.00 0.00 27 Q H H 88.02 6.23 22.24 28.85 91.41 51.11 -63.61 -41.13 0.32 0.00 99.68 0.04 0.02 0.20 99.68 0.06 0.00 0.00 0.00 28 K H H 112.93 2.17 24.29 24.76 91.70 49.62 -64.50 -41.70 0.47 0.00 99.52 0.06 0.03 0.33 99.51 0.07 0.00 0.00 0.00 29 C H H 17.85 13.67 18.72 33.54 91.84 49.51 -64.31 -42.70 0.72 0.00 99.27 0.12 0.06 0.47 99.25 0.10 0.00 0.00 0.00 30 I H H 29.12 16.34 17.46 33.95 91.76 49.77 -63.78 -42.41 0.55 0.00 99.45 0.09 0.05 0.32 99.41 0.12 0.00 0.00 0.00 31 E H H 107.28 2.28 22.87 23.76 91.42 50.11 -63.73 -41.87 0.98 0.00 99.01 0.15 0.08 0.60 98.93 0.24 0.00 0.00 0.00 32 E H H 99.11 3.11 20.94 23.60 91.94 48.89 -65.61 -40.06 2.70 0.01 97.28 0.38 0.22 1.85 96.96 0.57 0.00 0.01 0.00 33 A H H 11.42 16.07 12.06 29.17 91.87 51.00 -66.09 -38.58 6.96 0.05 92.99 1.34 0.70 4.61 92.16 1.14 0.01 0.02 0.02 34 K H H 118.07 6.59 15.44 23.22 92.85 55.22 -66.13 -34.75 20.58 0.16 79.26 3.31 2.07 15.24 76.96 2.23 0.04 0.06 0.09 35 G H H 62.28 0.88 15.49 15.25 93.47 53.39 -69.22 -18.94 43.83 0.31 55.87 6.42 5.50 31.94 52.96 2.82 0.05 0.12 0.19 36 K C T 134.60 2.89 12.65 16.64 96.25 57.49 -89.38 -0.20 78.76 0.34 20.90 7.45 12.39 57.80 18.55 3.39 0.02 0.13 0.28 37 G C T 59.16 1.43 15.46 16.59 98.81 -104.84 81.16 12.55 93.94 0.30 5.76 21.68 13.12 59.45 3.61 1.82 0.00 0.14 0.17 38 L C C 59.17 13.21 8.53 21.65 114.79 148.96 -87.38 133.53 91.36 1.01 7.63 75.04 9.23 7.12 4.85 2.59 0.00 0.40 0.77 39 K C C 129.76 3.42 16.69 20.95 115.13 -150.40 -91.48 143.11 89.32 1.06 9.62 72.22 9.61 7.33 6.92 2.80 0.00 0.45 0.67 40 K C H 109.23 9.18 13.95 23.70 102.20 -116.06 -70.07 -24.43 57.96 0.96 41.08 32.80 17.41 8.01 37.51 3.44 0.01 0.38 0.44 41 D H H 93.70 4.82 16.16 22.00 94.64 60.48 -66.69 -34.69 19.86 0.30 79.84 9.03 4.62 6.53 76.26 3.28 0.01 0.18 0.09 42 E H H 109.99 3.81 18.75 22.83 94.06 53.54 -67.79 -37.32 11.50 0.63 87.87 6.24 1.81 4.04 84.15 3.08 0.01 0.54 0.11 43 L H H 31.01 15.54 15.98 31.68 92.86 51.43 -66.20 -41.51 4.53 1.50 93.97 2.63 0.74 1.59 91.37 2.02 0.00 1.57 0.08 44 I H H 33.93 16.52 17.75 34.11 92.30 51.34 -63.30 -43.37 2.36 2.12 95.51 1.34 0.33 0.82 93.98 1.13 0.00 2.33 0.06 45 D H H 76.03 4.88 23.67 28.51 91.71 50.04 -64.23 -41.19 2.50 2.10 95.39 1.24 0.30 1.01 93.79 1.20 0.00 2.41 0.06 46 A H H 36.94 7.86 22.93 31.55 91.86 49.83 -64.97 -41.41 3.55 1.51 94.94 1.26 0.40 1.84 93.30 1.39 0.01 1.73 0.07 47 C H H 9.90 20.50 18.99 39.46 91.80 49.85 -65.98 -41.43 6.44 1.15 92.41 2.04 0.76 3.58 90.77 1.48 0.02 1.25 0.10 48 A H H 26.75 13.80 21.67 35.58 91.45 51.92 -63.04 -42.07 10.51 0.80 88.69 2.95 1.09 6.19 86.90 1.94 0.03 0.80 0.10 49 W H H 128.92 4.03 25.79 29.46 91.54 50.19 -64.50 -41.81 14.60 0.75 84.65 2.84 1.45 10.00 82.63 2.25 0.04 0.66 0.15 50 T H H 24.07 14.11 21.80 36.31 91.94 49.85 -65.48 -41.98 17.15 0.82 82.03 4.52 2.25 10.48 80.25 1.66 0.03 0.58 0.24 51 H H H 20.99 21.29 20.05 40.43 91.55 51.26 -64.83 -41.66 13.68 0.58 85.73 6.17 1.85 5.63 84.89 0.93 0.01 0.35 0.18 52 R H H 106.04 9.08 23.84 32.97 91.53 52.42 -63.80 -41.70 3.81 0.09 96.10 1.72 0.53 1.47 95.88 0.33 0.00 0.04 0.03 53 K H H 102.37 5.48 25.36 30.96 91.96 48.75 -65.77 -40.95 1.11 0.01 98.88 0.40 0.14 0.53 98.73 0.19 0.00 0.00 0.00 54 T H H 12.11 19.72 20.22 39.82 92.25 49.54 -65.06 -43.04 0.48 0.01 99.52 0.14 0.05 0.24 99.47 0.10 0.00 0.00 0.00 55 I H H 28.13 17.52 21.62 38.65 91.51 49.53 -63.35 -43.19 0.22 0.00 99.78 0.05 0.02 0.12 99.78 0.04 0.00 0.00 0.00 56 L H H 79.46 3.97 25.26 28.90 91.21 49.71 -63.12 -42.43 0.19 0.00 99.81 0.03 0.01 0.11 99.82 0.03 0.00 0.00 0.00 57 A H H 25.47 10.27 21.83 33.19 91.73 50.21 -64.06 -42.31 0.33 0.00 99.67 0.03 0.02 0.23 99.68 0.04 0.00 0.00 0.00 58 L H H 11.13 22.05 18.10 39.96 91.72 49.56 -64.89 -41.76 0.52 0.00 99.48 0.05 0.03 0.37 99.47 0.09 0.00 0.00 0.00 59 K H H 92.90 9.84 21.51 31.44 91.42 51.74 -62.89 -40.94 0.82 0.00 99.18 0.06 0.04 0.67 99.05 0.19 0.00 0.00 0.00 60 D H H 78.19 3.25 23.19 25.50 92.07 49.84 -65.03 -40.50 2.04 0.00 97.96 0.18 0.12 1.64 97.18 0.87 0.00 0.00 0.00 61 W H H 49.71 13.99 17.99 32.56 92.30 50.04 -65.81 -41.51 2.23 0.00 97.76 0.16 0.12 1.75 94.62 3.34 0.00 0.00 0.00 62 F H H 42.53 16.82 14.94 31.61 91.99 52.22 -67.08 -35.15 4.23 0.01 95.76 0.28 0.23 3.42 89.80 6.26 0.01 0.00 0.00 63 A H H 70.56 4.23 18.43 23.45 91.45 58.91 -69.18 -21.78 22.94 0.02 77.04 0.50 0.67 22.07 71.84 4.88 0.01 0.01 0.01 64 Y H H 139.70 4.45 16.79 22.06 97.97 49.02 -94.83 -5.98 47.50 0.09 52.41 1.96 3.57 41.01 49.16 4.16 0.03 0.03 0.08 65 R C S 71.78 14.56 11.27 25.86 119.36 91.39 -100.97 137.18 98.56 0.37 1.07 37.47 60.36 0.71 0.85 0.16 0.00 0.07 0.37 66 P C C 72.25 5.53 18.33 24.59 114.95 -109.74 -67.52 149.89 79.34 0.36 20.30 61.38 5.43 10.61 3.65 18.54 0.00 0.19 0.21 67 P C G 59.89 11.90 16.04 28.05 105.70 -98.13 -68.06 135.26 68.19 0.83 30.98 27.66 12.08 27.21 4.46 27.71 0.00 0.38 0.50 68 F C C 52.15 17.16 11.64 27.94 110.19 -114.07 -90.49 118.10 61.27 4.22 34.51 32.59 10.56 18.64 6.08 28.00 0.02 2.16 1.95 69 Q C C 122.63 3.93 15.62 20.64 101.66 106.25 -91.64 -4.37 79.04 3.78 17.18 42.16 23.50 13.54 7.19 9.69 0.02 1.74 2.17 70 D C C 76.01 5.41 13.44 20.11 116.66 73.61 -99.98 140.21 83.45 3.08 13.47 36.98 34.62 12.41 8.12 4.69 0.02 1.23 1.94 71 R C T 154.57 5.03 12.75 19.49 94.81 -131.32 -64.11 -27.36 59.78 0.64 39.57 11.86 16.02 32.11 25.05 14.12 0.07 0.29 0.48 72 R C T 146.63 4.08 15.42 20.54 94.83 59.24 -72.45 -26.02 56.57 0.71 42.71 12.73 12.54 31.34 28.47 14.05 0.07 0.33 0.47 73 S C C 31.73 11.69 12.62 25.25 99.44 61.25 -78.70 -15.09 53.27 1.91 44.82 34.27 9.40 9.62 32.47 12.43 0.02 0.93 0.86 74 K H H 100.24 7.07 19.54 27.23 93.93 90.84 -65.09 -38.14 25.86 1.13 73.01 14.25 5.09 8.42 64.51 6.65 0.04 0.66 0.38 75 W H H 58.29 15.12 18.64 33.60 92.38 53.30 -65.06 -40.83 13.34 1.22 85.44 5.54 2.24 6.21 76.71 7.98 0.05 1.00 0.26 76 A H H 19.86 15.40 18.33 34.03 92.34 52.82 -63.95 -41.27 7.83 1.17 90.99 3.53 1.24 3.43 80.97 9.59 0.02 1.08 0.14 77 E H H 85.67 8.28 22.51 30.97 91.97 51.16 -65.49 -39.33 9.43 1.52 89.04 3.20 1.42 5.12 79.02 9.58 0.07 1.41 0.18 78 Y H H 71.18 12.07 21.53 33.65 93.02 49.70 -69.05 -37.26 14.73 2.03 83.24 4.04 2.36 9.03 74.65 7.61 0.24 1.69 0.38 79 C H H 19.96 18.15 18.66 36.34 95.68 50.72 -75.84 -29.53 28.07 5.76 66.17 9.88 5.50 14.40 58.73 5.60 0.35 4.31 1.22 80 S H H 33.57 12.78 20.09 33.00 98.37 62.24 -77.70 -20.34 40.07 14.00 45.93 17.01 8.03 16.28 39.63 5.35 0.31 11.15 2.24 81 I C H 57.32 11.97 17.58 30.10 102.67 77.25 -80.54 12.86 39.17 28.18 32.65 19.76 9.24 10.93 28.24 4.62 0.41 23.44 3.34 82 R E E 106.84 9.33 16.16 26.10 107.48 74.99 -87.29 87.85 34.46 43.83 21.71 22.53 6.36 5.85 19.67 3.52 0.35 31.93 9.79 83 H C C 79.39 10.49 11.37 22.57 114.46 -129.77 -83.60 154.86 63.63 22.96 13.41 46.96 7.53 8.00 11.32 2.97 0.10 19.10 4.03 84 D C T 117.29 2.25 12.47 15.89 97.50 -94.08 -72.16 -17.63 82.05 6.98 10.97 17.12 15.36 49.68 7.04 3.89 0.06 5.49 1.36 85 S C T 77.88 2.91 11.97 15.90 98.36 54.39 -88.63 0.20 90.12 1.06 8.82 10.32 17.75 62.41 4.59 3.82 0.01 0.61 0.48 86 G C S 49.14 4.42 12.79 18.70 100.10 -100.39 83.36 4.79 93.09 3.10 3.80 19.98 52.97 20.65 1.01 2.35 0.00 2.14 0.91 87 S C C 53.10 6.85 13.58 22.00 118.48 126.22 -89.40 146.87 83.08 13.46 3.47 56.25 19.62 7.37 1.46 2.02 0.00 10.73 2.53 88 W C C 111.12 11.54 14.30 26.39 114.52 -128.12 -92.63 131.71 50.17 42.48 7.35 34.93 8.87 4.98 4.69 3.22 0.18 29.14 13.98 89 L C C 60.16 12.16 15.44 28.26 112.20 -159.23 -97.25 126.32 54.75 32.70 12.55 32.18 10.11 13.35 8.14 4.62 0.15 27.46 4.00 90 G C C 27.06 10.27 17.09 27.97 116.60 -139.69 -105.57 -170.73 56.85 23.33 19.82 27.28 14.10 17.10 12.10 7.05 0.23 19.18 2.96 91 W C C 98.30 12.67 14.74 27.44 105.18 -108.45 -84.77 25.11 46.17 17.61 36.22 24.15 10.74 12.63 21.49 13.91 0.34 13.80 2.95 92 S H H 50.58 8.76 14.78 24.53 103.65 68.35 -82.03 9.32 43.12 12.47 44.41 23.02 8.96 11.95 23.42 20.39 0.15 9.89 2.22 93 Q H G 96.14 8.07 12.46 21.56 101.24 76.72 -80.31 -5.96 40.88 8.43 50.69 19.12 8.91 14.09 22.10 27.70 0.11 6.38 1.58 94 K C G 128.89 4.64 12.96 18.99 100.94 88.12 -79.98 -12.03 47.34 8.30 44.36 20.74 9.75 18.46 17.87 25.23 0.17 5.95 1.83 95 F C C 113.43 7.47 10.86 19.49 103.60 65.00 -91.41 5.73 63.07 5.96 30.97 44.23 3.24 17.30 14.80 14.08 0.01 4.16 2.16 96 F C C 101.17 10.14 11.79 22.48 110.76 78.81 -96.94 96.01 99.80 0.17 0.03 99.73 0.10 0.05 0.01 0.00 0.00 0.09 0.02