# 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 G C C 29.46 9.72 14.48 24.94 128.06 -143.33 104.06 176.13 99.92 0.07 0.01 99.47 0.44 0.04 0.00 0.00 0.00 0.03 0.02 1 P C C 89.72 5.37 13.50 20.14 108.57 -66.48 -69.80 143.93 89.54 0.94 9.53 76.33 2.49 11.73 2.41 6.00 0.00 0.52 0.51 2 R C C 167.92 3.18 12.14 16.92 107.68 -95.31 -81.66 112.32 82.60 2.95 14.45 40.25 15.79 27.00 2.95 11.08 0.00 1.45 1.47 3 G C C 47.68 5.50 13.49 20.28 105.76 14.12 74.01 8.10 79.30 4.23 16.47 39.42 18.90 21.47 3.44 12.65 0.01 2.11 2.00 4 M C C 96.45 10.09 12.12 22.61 106.74 110.61 -87.64 70.94 76.97 7.15 15.88 48.52 14.82 13.43 4.64 11.24 0.01 3.85 3.47 5 S C C 67.05 6.51 15.13 22.70 109.09 120.97 -91.16 95.18 79.55 7.07 13.38 38.13 17.12 25.28 3.58 9.08 0.02 3.72 3.07 6 G C C 42.19 8.36 14.36 23.39 106.46 -86.32 81.40 -6.22 83.71 4.87 11.42 33.15 23.09 28.34 2.33 8.50 0.01 2.49 2.08 7 R C C 141.43 6.07 16.14 23.21 107.20 78.26 -93.18 37.75 82.31 7.44 10.25 39.92 21.31 21.77 2.42 7.46 0.02 3.69 3.42 8 G C C 33.96 10.54 13.06 24.00 118.46 -137.05 80.42 163.68 86.42 6.67 6.91 44.59 21.67 20.42 1.47 5.50 0.01 3.35 2.99 9 K C C 143.35 4.00 16.16 21.41 107.17 -84.50 -90.22 63.35 84.70 7.91 7.40 43.75 19.31 21.97 1.60 5.82 0.01 4.04 3.51 10 G C C 46.31 6.17 14.75 22.11 109.61 -27.63 87.61 0.44 86.93 5.71 7.35 35.45 22.68 29.27 1.30 6.02 0.01 2.95 2.31 11 G C C 37.51 9.50 13.02 23.12 116.29 -62.31 84.26 162.61 86.16 5.86 7.98 40.84 23.83 21.62 1.44 6.71 0.01 2.94 2.60 12 K C C 142.33 3.87 15.93 21.06 109.69 -109.22 -93.63 97.77 82.22 8.48 9.30 39.52 21.64 21.73 2.03 7.08 0.02 4.29 3.68 13 G C C 41.33 7.67 14.13 22.62 114.27 -36.52 72.52 -87.17 84.34 7.05 8.61 39.54 22.20 23.14 1.85 6.65 0.01 3.69 2.92 14 L C C 92.89 9.37 13.46 23.32 106.21 -54.54 -87.25 50.48 82.25 8.38 9.36 37.60 21.78 23.79 2.68 6.20 0.02 4.29 3.63 15 G C C 39.81 6.63 14.08 21.85 115.86 -3.07 82.30 -149.24 84.64 6.17 9.19 36.61 25.95 22.97 3.00 5.59 0.02 3.06 2.80 16 K C C 148.94 3.07 14.74 19.01 107.59 -59.42 -79.34 93.83 77.66 4.75 17.59 29.46 22.52 26.90 8.66 7.78 0.05 2.24 2.39 17 G C T 47.82 4.46 15.06 20.46 104.78 15.68 58.44 -22.75 75.26 2.33 22.41 22.56 20.88 32.95 12.94 8.23 0.05 1.07 1.32 18 G C C 33.73 8.84 14.59 24.17 106.99 30.00 -23.69 -53.61 62.36 1.96 35.69 27.75 17.15 19.04 24.82 9.24 0.06 0.83 1.11 19 A H H 44.64 11.38 13.57 25.38 105.47 41.00 -76.88 85.46 44.35 2.81 52.84 25.58 10.34 10.82 41.88 8.74 0.07 1.50 1.06 20 K H H 119.95 4.92 17.10 22.93 101.75 53.90 -72.00 -34.19 34.93 3.68 61.39 22.73 6.65 8.12 51.14 7.89 0.06 2.34 1.07 21 R H H 122.62 6.35 17.38 24.53 99.00 51.33 -70.83 -34.22 27.47 3.05 69.48 18.67 4.92 6.40 60.99 6.15 0.04 2.06 0.76 22 H H H 62.00 14.97 15.38 29.96 96.43 52.32 -72.48 -33.88 22.84 1.90 75.27 16.05 3.68 5.27 68.89 4.37 0.02 1.24 0.48 23 R H H 102.24 11.79 17.17 28.85 94.69 53.53 -66.19 -37.95 14.06 1.04 84.90 9.45 2.22 3.62 80.37 3.38 0.01 0.74 0.22 24 K H H 113.64 4.53 19.97 24.66 95.43 51.25 -68.33 -38.08 10.33 1.20 88.46 6.25 1.65 3.35 84.00 3.56 0.02 0.96 0.21 25 V H H 47.13 10.69 17.48 29.06 95.65 50.49 -68.72 -39.73 9.34 1.40 89.26 5.27 1.45 3.34 84.75 3.74 0.03 1.22 0.21 26 L H H 34.99 17.05 15.01 31.84 95.46 50.65 -68.68 -37.50 10.85 1.19 87.96 5.87 1.78 4.13 82.52 4.46 0.04 0.97 0.24 27 R H H 115.70 9.63 17.82 27.65 95.07 54.29 -67.59 -35.57 14.42 0.82 84.77 5.72 2.36 7.15 78.07 5.82 0.06 0.59 0.23 28 D H H 92.85 4.18 18.86 23.60 96.68 50.56 -74.75 -26.39 23.60 0.53 75.87 5.42 3.42 15.07 68.21 7.21 0.13 0.31 0.22 29 N H H 70.53 10.81 17.49 28.38 100.51 43.87 -90.95 -3.78 38.12 0.73 61.16 9.14 5.42 24.13 52.42 8.00 0.12 0.39 0.37 30 I C H 28.90 20.90 12.25 31.80 101.15 74.79 -89.38 5.06 53.73 4.18 42.09 24.34 8.24 22.56 30.97 9.48 0.17 2.28 1.96 31 Q C T 117.96 5.10 18.32 24.87 105.75 117.85 -71.72 108.29 78.66 2.67 18.67 11.07 6.87 59.58 14.23 5.38 0.09 1.57 1.21 32 G C T 47.27 5.32 19.84 25.52 99.28 25.06 82.90 -3.00 89.81 1.36 8.84 11.32 10.58 68.28 4.18 4.25 0.01 0.90 0.49 33 I C C 21.61 22.08 10.65 31.92 115.25 113.54 -89.70 128.25 93.60 4.96 1.44 77.94 14.35 0.95 1.05 0.45 0.00 2.00 3.26 34 T C C 65.72 4.89 22.73 27.33 123.67 -147.13 -91.61 159.51 95.45 3.27 1.28 93.34 1.87 0.35 1.15 0.14 0.00 1.00 2.14 35 K H H 98.62 13.00 15.23 28.08 92.58 -104.93 -58.66 -40.02 2.66 0.02 97.33 0.70 0.50 1.26 97.17 0.36 0.00 0.01 0.00 36 P H H 75.30 2.95 21.17 23.62 91.67 52.46 -63.36 -39.37 1.46 0.01 98.53 0.29 0.14 0.89 98.23 0.44 0.00 0.00 0.00 37 A H H 22.85 10.61 18.33 30.55 91.90 50.79 -64.79 -40.95 0.58 0.01 99.41 0.15 0.06 0.30 99.08 0.40 0.00 0.01 0.00 38 I H H 10.08 22.18 15.43 37.64 91.93 49.78 -64.51 -42.28 0.44 0.01 99.55 0.12 0.05 0.21 99.43 0.17 0.00 0.01 0.00 39 R H H 107.42 8.79 21.04 30.04 91.58 50.96 -63.41 -41.28 0.83 0.02 99.15 0.23 0.10 0.44 99.10 0.12 0.00 0.01 0.00 40 R H H 121.28 3.02 22.84 25.14 91.76 49.98 -64.52 -42.14 1.19 0.04 98.77 0.28 0.15 0.69 98.67 0.18 0.00 0.02 0.01 41 L H H 28.49 13.64 17.83 32.42 92.22 50.03 -64.95 -41.87 1.92 0.09 97.99 0.49 0.27 1.14 97.59 0.43 0.01 0.05 0.02 42 A H H 18.09 16.42 14.19 30.90 92.25 51.55 -64.66 -39.97 4.83 0.11 95.06 1.04 0.44 3.23 94.16 1.02 0.01 0.07 0.02 43 R H H 159.96 2.52 17.96 21.09 92.49 51.20 -66.58 -35.08 12.45 0.17 87.38 1.47 1.06 9.85 85.94 1.47 0.05 0.09 0.07 44 R H H 152.13 2.91 15.88 19.52 94.92 53.86 -75.94 -18.93 35.80 0.31 63.89 2.29 3.50 29.85 61.72 2.20 0.12 0.14 0.18 45 G C T 39.02 8.84 13.54 23.01 99.20 39.46 -86.07 -2.60 71.53 0.25 28.22 3.29 7.29 59.19 27.58 2.34 0.03 0.10 0.19 46 G C T 49.38 3.73 16.95 21.27 100.75 -111.60 81.57 10.56 95.88 0.68 3.44 31.23 16.16 48.91 1.59 1.50 0.00 0.37 0.25 47 V C C 40.90 16.90 9.39 25.46 113.83 142.60 -88.93 126.60 88.18 6.59 5.24 78.87 6.45 2.85 2.55 2.55 0.00 4.40 2.31 48 K C C 151.36 2.34 18.50 21.20 101.83 -169.11 -89.84 -21.34 83.54 9.82 6.64 58.26 19.50 6.21 2.68 3.83 0.01 8.03 1.48 49 R C C 140.01 4.79 18.45 24.27 121.24 15.14 -123.27 135.11 63.95 27.85 8.20 48.54 9.68 5.55 3.64 4.69 0.03 24.70 3.18 50 I C C 40.66 19.19 10.58 28.63 118.03 -163.80 -110.06 125.26 58.17 35.79 6.03 50.67 4.54 1.74 4.75 1.97 0.01 29.07 7.25 51 S C C 58.54 4.96 17.77 23.47 122.00 -136.21 -100.10 164.21 78.74 14.67 6.58 69.76 5.48 2.84 5.58 1.49 0.00 13.03 1.80 52 G H H 46.12 4.13 17.18 21.75 101.17 -4.88 9.02 -56.76 37.04 1.26 61.70 8.37 12.06 18.75 54.43 5.00 0.25 0.65 0.49 53 L H H 94.59 4.28 17.21 22.02 94.25 35.01 -68.64 -35.74 21.16 0.68 78.16 5.16 4.00 13.21 71.71 5.08 0.16 0.42 0.25 54 I H H 39.47 13.32 15.75 29.72 92.68 53.08 -65.06 -41.32 11.95 0.87 87.18 5.19 2.17 5.88 81.28 4.54 0.07 0.67 0.21 55 Y H H 57.81 15.27 15.77 30.94 91.81 51.87 -63.81 -41.98 4.82 0.44 94.74 2.52 0.81 2.05 92.06 2.09 0.02 0.39 0.06 56 E H H 116.05 3.22 20.99 24.22 91.88 49.36 -64.78 -40.66 3.61 0.29 96.09 1.40 0.50 1.88 94.24 1.65 0.01 0.28 0.04 57 E H H 96.75 5.36 21.10 26.63 92.63 46.93 -66.32 -40.97 5.53 0.22 94.25 1.24 0.62 3.64 92.56 1.68 0.02 0.19 0.05 58 T H H 15.78 19.08 17.04 35.91 92.88 47.21 -67.35 -40.40 9.36 0.16 90.48 1.74 1.01 6.43 89.53 1.12 0.02 0.09 0.05 59 R H H 83.03 14.43 19.67 33.33 91.85 52.81 -62.31 -41.39 4.27 0.05 95.68 1.15 0.47 2.50 95.39 0.46 0.00 0.02 0.01 60 G H H 33.04 3.70 23.16 26.61 91.50 51.04 -63.59 -41.71 3.29 0.02 96.69 0.57 0.28 2.29 96.31 0.53 0.00 0.01 0.01 61 V H H 45.03 10.30 21.86 32.63 91.92 49.44 -65.14 -42.32 0.78 0.01 99.21 0.18 0.06 0.44 99.07 0.24 0.00 0.00 0.00 62 L H H 15.78 20.70 18.33 38.96 91.77 50.63 -64.27 -42.43 0.20 0.00 99.80 0.05 0.01 0.09 99.77 0.07 0.00 0.00 0.00 63 K H H 91.69 9.96 22.19 32.11 91.63 51.82 -63.38 -41.49 0.12 0.00 99.88 0.02 0.01 0.07 99.87 0.03 0.00 0.00 0.00 64 V H H 70.83 4.27 23.83 27.77 91.57 50.00 -64.13 -42.51 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.03 0.00 0.00 0.00 65 F H H 47.48 14.20 21.26 35.30 91.81 49.00 -64.74 -42.55 0.14 0.00 99.86 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 66 L H H 20.45 19.74 19.02 38.59 91.73 49.56 -64.25 -41.92 0.16 0.00 99.84 0.02 0.01 0.10 99.85 0.02 0.00 0.00 0.00 67 E H H 88.11 7.39 22.81 30.45 91.55 51.48 -63.90 -41.29 0.14 0.00 99.86 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 68 N H H 68.21 5.99 23.62 29.72 92.10 48.95 -66.20 -40.69 0.36 0.00 99.64 0.03 0.01 0.26 99.67 0.03 0.00 0.00 0.00 69 V H H 19.57 17.54 20.13 37.77 91.90 49.25 -64.83 -43.15 0.47 0.00 99.53 0.05 0.02 0.30 99.57 0.04 0.00 0.00 0.00 70 I H H 34.50 16.55 20.56 36.77 91.67 50.08 -63.71 -42.52 0.39 0.00 99.61 0.08 0.03 0.22 99.59 0.09 0.00 0.00 0.00 71 R H H 128.20 3.61 24.87 28.31 91.48 50.22 -63.66 -41.75 0.48 0.00 99.52 0.07 0.03 0.31 99.48 0.11 0.00 0.00 0.00 72 D H H 54.93 8.19 23.23 31.79 91.84 48.52 -65.88 -40.74 0.98 0.00 99.02 0.15 0.07 0.66 98.97 0.15 0.00 0.00 0.00 73 A H H 9.49 19.51 17.98 37.92 91.94 51.12 -63.74 -41.99 1.40 0.01 98.59 0.25 0.12 0.89 98.48 0.25 0.00 0.01 0.00 74 V H H 52.01 9.84 21.55 31.84 91.56 50.18 -63.91 -42.30 2.44 0.06 97.50 0.54 0.28 1.46 97.29 0.37 0.01 0.04 0.01 75 T H H 69.05 2.88 23.59 25.44 91.60 49.65 -64.16 -42.45 4.22 0.14 95.64 1.14 0.54 2.43 95.20 0.56 0.02 0.08 0.03 76 Y H H 55.72 11.65 18.80 31.26 92.43 48.54 -66.02 -41.24 5.50 0.24 94.26 1.68 0.84 3.11 93.01 1.12 0.03 0.14 0.06 77 T H H 20.72 15.50 14.31 30.49 92.14 51.57 -65.11 -39.26 7.96 0.24 91.79 2.82 1.08 4.08 90.21 1.59 0.02 0.14 0.06 78 E H H 121.17 2.87 18.52 21.64 92.40 51.65 -64.99 -38.92 13.18 0.16 86.65 2.46 1.42 8.92 85.28 1.74 0.03 0.09 0.06 79 H H H 127.30 2.60 16.62 19.30 93.73 48.35 -74.41 -25.96 23.66 0.22 76.12 3.35 3.02 17.11 74.63 1.63 0.05 0.09 0.11 80 A C H 37.45 12.59 9.91 22.65 99.51 63.61 -82.49 -4.53 63.15 0.77 36.09 16.75 12.79 32.28 35.35 2.08 0.03 0.26 0.46 81 K C T 174.04 0.90 16.22 16.08 96.13 -130.89 43.29 21.31 88.53 0.51 10.96 23.40 13.62 51.42 8.82 2.24 0.00 0.21 0.29 82 R C C 104.48 8.01 11.18 20.67 124.51 106.77 -110.74 148.03 90.47 1.25 8.28 53.27 21.50 15.80 5.00 3.13 0.00 0.54 0.76 83 K C S 154.10 3.04 15.48 19.79 97.13 -145.66 -83.38 -14.59 94.18 1.86 3.96 33.94 51.67 8.79 2.26 1.65 0.00 1.15 0.53 84 T C C 78.34 4.62 19.39 24.90 128.09 42.04 -129.59 144.32 73.69 22.20 4.12 46.14 22.59 5.55 2.51 1.98 0.01 17.56 3.67 85 V C C 19.96 21.59 11.91 33.07 117.32 -153.69 -108.55 129.64 68.29 29.81 1.90 62.04 5.48 0.46 1.80 0.40 0.00 22.16 7.65 86 T C C 53.66 6.22 24.29 30.52 125.95 -150.21 -95.18 164.26 80.86 17.64 1.50 80.21 1.55 0.26 1.49 0.18 0.00 13.76 2.54 87 A H H 36.70 16.50 16.27 32.70 90.92 -102.96 -58.00 -38.54 2.82 0.02 97.16 0.51 0.42 1.73 96.80 0.53 0.00 0.01 0.00 88 M H H 93.64 6.45 22.75 29.23 91.39 54.57 -63.46 -39.65 1.10 0.00 98.90 0.15 0.09 0.75 98.60 0.40 0.00 0.00 0.00 89 D H H 35.74 13.27 21.29 34.74 91.88 50.47 -65.26 -40.46 0.36 0.00 99.64 0.08 0.03 0.20 99.34 0.34 0.00 0.00 0.00 90 V H H 6.81 23.44 18.94 42.22 91.74 49.59 -64.58 -43.54 0.14 0.00 99.86 0.03 0.01 0.08 99.79 0.10 0.00 0.00 0.00 91 V H H 38.77 12.35 22.41 35.04 91.67 50.00 -63.39 -43.23 0.14 0.00 99.86 0.02 0.01 0.09 99.83 0.06 0.00 0.00 0.00 92 Y H H 90.22 5.17 24.53 29.98 91.54 49.19 -64.02 -42.31 0.22 0.00 99.78 0.03 0.01 0.15 99.73 0.08 0.00 0.00 0.00 93 A H H 8.99 15.23 18.43 35.14 91.53 50.66 -62.86 -43.06 0.48 0.00 99.51 0.05 0.03 0.33 99.43 0.16 0.00 0.00 0.00 94 L H H 21.30 17.08 16.48 34.00 91.99 49.72 -64.14 -41.38 1.44 0.01 98.55 0.23 0.11 0.96 98.23 0.45 0.00 0.00 0.00 95 K H H 125.68 4.36 18.30 23.61 91.97 50.29 -64.89 -39.67 3.79 0.02 96.20 0.48 0.26 2.78 95.48 0.99 0.00 0.01 0.01 96 R H H 144.64 3.81 16.64 21.53 92.59 51.12 -68.77 -31.59 11.94 0.05 88.00 0.89 0.82 9.98 87.14 1.10 0.02 0.02 0.03 97 Q C H 85.74 9.10 13.43 23.41 95.80 48.23 -87.46 -4.73 51.88 0.22 47.90 2.83 4.29 42.83 48.33 1.46 0.04 0.07 0.14 98 G C T 55.73 2.68 16.09 19.43 98.11 -113.80 79.25 12.80 96.49 0.36 3.16 20.88 9.58 66.45 1.97 0.81 0.00 0.18 0.13 99 R C C 107.54 8.91 13.11 23.24 122.26 128.84 -102.86 142.74 94.39 2.49 3.11 81.46 10.19 2.73 1.69 1.30 0.00 1.24 1.38 100 T C C 73.46 7.31 16.43 24.81 119.59 -137.48 -97.17 141.80 91.14 5.34 3.52 84.26 4.30 2.47 1.63 1.59 0.00 2.91 2.83 101 L C C 64.52 15.13 13.21 27.68 103.89 -132.81 -79.75 10.02 82.30 7.31 10.39 37.83 23.41 22.03 2.74 6.93 0.04 3.47 3.55 102 Y C T 125.45 8.74 14.98 24.18 108.57 47.52 -88.20 90.57 83.53 6.02 10.44 17.80 24.61 41.51 2.58 7.39 0.05 3.30 2.75 103 G C C 50.99 4.43 14.54 20.14 103.64 -14.60 82.18 0.94 87.89 4.08 8.03 33.65 23.82 30.85 1.45 6.43 0.01 2.09 1.71 104 F C C 114.74 8.12 10.34 19.47 107.54 107.63 -93.73 54.92 88.69 6.44 4.87 56.82 15.14 16.65 1.40 3.27 0.00 3.14 3.58 105 G C C 52.63 3.60 12.77 17.94 108.96 -19.50 92.45 7.47 95.37 2.92 1.71 77.27 4.99 13.28 0.44 1.05 0.00 1.84 1.14 106 G C C 48.21 5.00 14.04 20.56 113.21 -51.08 91.80 -167.56 99.79 0.18 0.03 99.19 0.47 0.18 0.01 0.01 0.00 0.10 0.03