# 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 44.64 4.44 14.44 20.02 107.98 -56.60 73.77 -93.16 99.79 0.04 0.17 99.37 0.21 0.25 0.12 0.01 0.00 0.02 0.01 1 G C C 44.66 4.46 12.20 17.92 107.87 30.36 -23.60 -106.41 63.06 0.52 36.43 51.87 2.27 8.70 33.30 3.34 0.00 0.23 0.29 2 A H H 66.94 4.88 10.24 16.66 100.98 36.11 -73.32 -24.45 42.49 0.73 56.78 24.98 7.55 11.47 48.92 6.38 0.01 0.35 0.33 3 K H H 135.95 2.55 11.77 15.45 99.05 59.31 -70.34 -33.38 31.62 0.84 67.55 19.97 5.46 7.79 58.47 7.54 0.01 0.44 0.32 4 R H H 145.60 2.97 12.43 16.54 96.22 58.38 -70.54 -33.91 25.32 0.77 73.90 16.90 4.34 5.84 66.17 6.05 0.01 0.42 0.27 5 H H H 99.97 6.90 11.89 20.07 95.87 55.96 -70.60 -32.12 22.82 0.61 76.58 16.12 3.49 4.78 71.28 3.81 0.01 0.32 0.20 6 R H H 123.66 6.44 13.25 20.99 95.01 60.76 -67.71 -36.68 15.20 0.44 84.36 10.36 2.33 3.52 80.75 2.67 0.00 0.25 0.13 7 K H H 118.84 3.56 15.68 19.81 95.66 54.67 -69.11 -35.95 12.22 0.67 87.11 7.84 1.88 3.45 83.40 2.83 0.01 0.44 0.15 8 V H H 66.41 6.50 14.89 22.64 96.66 52.36 -71.19 -39.53 11.29 0.91 87.79 6.97 1.76 3.48 83.87 3.05 0.02 0.67 0.17 9 L H H 56.83 11.76 13.29 25.65 96.28 51.73 -70.81 -36.61 12.82 0.91 86.27 7.53 2.05 4.35 81.29 3.88 0.02 0.67 0.21 10 R H H 124.49 7.39 15.67 23.91 95.46 55.84 -69.10 -33.86 17.19 0.68 82.14 7.56 2.83 7.89 75.77 5.23 0.04 0.44 0.23 11 D H H 95.95 3.50 16.69 20.88 95.65 54.05 -75.15 -23.89 27.81 0.41 71.78 6.89 4.22 17.26 64.67 6.45 0.09 0.22 0.20 12 N H H 83.43 7.76 16.13 24.55 99.95 46.59 -90.27 3.86 44.90 0.58 54.52 12.17 6.67 26.95 45.99 7.52 0.07 0.29 0.35 13 I C C 40.10 18.49 10.87 28.08 100.55 84.57 -88.16 5.46 61.42 3.01 35.57 32.30 8.89 21.25 24.86 9.46 0.06 1.46 1.71 14 Q C T 124.49 3.97 16.11 21.82 106.72 119.55 -72.66 113.51 82.91 1.73 15.36 14.18 7.71 60.64 10.56 5.02 0.03 0.97 0.90 15 G C T 53.12 3.31 18.40 22.12 97.65 23.04 83.62 -1.40 92.63 0.82 6.55 13.01 11.74 68.29 2.61 3.51 0.00 0.50 0.34 16 I C C 29.73 20.21 9.47 28.53 115.56 114.48 -88.84 130.37 95.54 3.41 1.05 80.83 13.54 0.81 0.73 0.33 0.00 1.17 2.59 17 T C C 70.26 3.58 21.53 24.62 122.94 -145.16 -89.93 160.53 97.09 1.92 0.99 95.45 1.48 0.28 0.84 0.11 0.00 0.56 1.29 18 K H H 106.92 11.11 14.21 25.76 92.44 -104.30 -58.43 -40.18 2.63 0.01 97.36 0.67 0.47 1.23 97.32 0.30 0.00 0.00 0.00 19 P H H 78.50 2.33 19.74 21.33 91.41 52.18 -63.22 -39.52 1.44 0.01 98.55 0.26 0.13 0.87 98.35 0.38 0.00 0.00 0.00 20 A H H 29.14 8.11 17.52 27.51 91.89 50.66 -64.70 -40.84 0.56 0.01 99.43 0.14 0.05 0.29 99.17 0.35 0.00 0.00 0.00 21 I H H 14.64 19.73 14.43 34.23 91.99 50.14 -64.34 -42.31 0.40 0.01 99.59 0.11 0.05 0.18 99.51 0.14 0.00 0.00 0.00 22 R H H 112.16 7.32 19.79 27.76 91.59 50.84 -63.32 -41.24 0.70 0.02 99.29 0.19 0.08 0.34 99.30 0.08 0.00 0.01 0.00 23 R H H 127.24 2.29 21.68 22.81 91.84 49.77 -64.49 -42.05 0.93 0.02 99.05 0.22 0.11 0.49 99.06 0.10 0.00 0.01 0.00 24 L H H 37.68 10.91 17.17 29.54 92.17 49.73 -64.86 -41.82 1.26 0.05 98.69 0.31 0.17 0.70 98.56 0.23 0.00 0.02 0.01 25 A H H 19.03 14.32 13.24 28.52 92.09 51.30 -63.71 -41.04 2.91 0.06 97.03 0.67 0.27 1.81 96.62 0.58 0.01 0.04 0.01 26 R H H 162.11 2.02 16.96 19.34 92.21 49.99 -65.71 -38.34 7.19 0.09 92.73 0.95 0.59 5.38 91.83 1.13 0.03 0.05 0.03 27 R H H 164.49 1.80 15.11 17.16 93.16 52.38 -69.50 -29.35 18.19 0.13 81.68 1.19 1.52 15.63 79.96 1.49 0.08 0.05 0.07 28 G C T 39.39 7.34 11.91 20.51 96.62 48.38 -86.67 -3.87 69.43 0.12 30.45 1.59 3.93 62.32 30.33 1.66 0.02 0.04 0.10 29 G C T 57.72 1.49 16.55 17.53 97.52 -108.95 81.15 11.66 98.97 0.16 0.87 14.12 7.08 77.95 0.35 0.35 0.00 0.09 0.05 30 V C C 44.87 14.34 7.56 21.66 114.15 148.47 -83.36 128.55 94.62 4.36 1.02 91.90 2.21 0.79 0.37 0.47 0.00 3.03 1.23 31 K C C 163.89 1.20 16.75 17.37 99.89 -172.62 -90.64 -22.38 93.85 5.20 0.95 64.72 25.75 3.56 0.21 0.80 0.00 4.25 0.71 32 R C C 153.13 2.81 17.13 20.79 125.38 23.63 -129.88 138.52 70.06 28.46 1.48 55.20 11.23 3.29 0.42 1.19 0.00 25.77 2.89 33 I C C 49.60 17.99 9.11 25.76 119.32 -167.60 -116.21 128.30 52.62 46.25 1.14 48.37 2.46 0.48 0.85 0.47 0.00 33.88 13.49 34 S C C 60.62 3.41 16.78 20.69 124.11 -163.39 -99.48 164.65 84.71 13.74 1.55 80.85 2.83 0.91 1.10 0.43 0.00 12.54 1.34 35 G H H 49.26 3.07 15.52 19.25 100.06 -26.37 -0.12 -50.76 32.88 0.50 66.62 4.59 8.82 20.62 59.81 5.49 0.20 0.22 0.26 36 L H H 103.64 2.81 15.46 18.63 93.61 36.06 -68.09 -34.68 20.14 0.26 79.59 3.13 3.11 14.35 73.25 5.77 0.12 0.13 0.13 37 I H H 53.28 9.64 14.29 25.30 92.50 53.16 -64.99 -41.34 10.59 0.30 89.10 3.65 1.74 5.90 82.91 5.46 0.04 0.19 0.10 38 Y H H 69.05 12.42 14.30 27.36 91.99 52.27 -63.39 -41.97 3.68 0.10 96.22 1.67 0.58 1.64 94.27 1.76 0.01 0.06 0.02 39 E H H 117.13 2.59 19.25 21.76 91.92 50.04 -64.75 -40.86 2.54 0.04 97.42 0.74 0.31 1.45 96.11 1.35 0.00 0.02 0.01 40 E H H 104.03 3.65 19.51 23.22 92.62 48.03 -66.34 -41.02 4.18 0.02 95.80 0.56 0.36 3.04 94.70 1.30 0.01 0.01 0.01 41 T H H 25.71 15.10 16.10 31.60 93.43 46.94 -68.49 -40.33 8.15 0.03 91.82 1.04 0.72 6.02 91.26 0.93 0.01 0.01 0.01 42 R H H 93.28 11.48 18.17 29.71 91.92 53.65 -63.08 -41.28 4.65 0.02 95.33 0.90 0.43 2.96 95.24 0.45 0.00 0.01 0.01 43 G H H 34.54 3.13 20.72 23.63 91.81 51.00 -63.65 -41.51 4.17 0.01 95.83 0.52 0.30 3.06 95.57 0.54 0.00 0.00 0.00 44 V H H 60.69 6.42 20.14 27.38 91.88 49.70 -64.70 -41.88 0.79 0.00 99.21 0.15 0.06 0.46 99.09 0.23 0.00 0.00 0.00 45 L H H 31.92 15.62 16.85 32.81 91.98 50.63 -64.17 -41.84 0.16 0.00 99.84 0.03 0.01 0.08 99.82 0.06 0.00 0.00 0.00 46 K H H 100.07 7.27 19.79 27.61 91.77 51.82 -63.62 -41.17 0.09 0.00 99.91 0.01 0.00 0.06 99.90 0.03 0.00 0.00 0.00 47 V H H 78.30 2.85 21.26 23.36 91.67 49.84 -64.16 -42.48 0.07 0.00 99.93 0.00 0.00 0.04 99.93 0.02 0.00 0.00 0.00 48 F H H 73.46 9.42 19.53 29.67 91.92 48.83 -64.82 -42.34 0.10 0.00 99.90 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 49 L H H 36.03 14.96 17.34 32.66 91.89 50.17 -64.76 -41.25 0.12 0.00 99.88 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 50 E H H 95.35 5.08 20.82 26.26 91.77 50.99 -63.98 -41.08 0.11 0.00 99.89 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 51 N H H 76.07 4.01 21.54 25.50 92.03 49.37 -65.86 -40.69 0.34 0.00 99.66 0.02 0.01 0.24 99.71 0.02 0.00 0.00 0.00 52 V H H 31.35 13.40 18.56 32.69 92.21 49.38 -64.74 -42.87 0.52 0.00 99.48 0.05 0.03 0.33 99.55 0.04 0.00 0.00 0.00 53 I H H 51.87 12.21 19.14 31.76 91.76 50.23 -63.90 -42.52 0.41 0.00 99.59 0.09 0.03 0.22 99.56 0.10 0.00 0.00 0.00 54 R H H 134.73 2.60 23.19 25.04 91.59 49.81 -63.84 -41.71 0.47 0.00 99.52 0.08 0.03 0.29 99.48 0.12 0.00 0.00 0.00 55 D H H 62.38 6.08 21.53 28.08 91.92 48.64 -65.40 -40.93 0.92 0.00 99.07 0.13 0.06 0.62 99.01 0.16 0.00 0.00 0.00 56 A H H 14.60 15.82 16.68 33.33 91.97 51.07 -63.95 -41.96 1.44 0.01 98.55 0.24 0.12 0.93 98.43 0.27 0.00 0.00 0.00 57 V H H 60.30 7.29 20.10 28.18 91.82 50.01 -64.31 -41.54 2.61 0.05 97.34 0.53 0.30 1.61 97.13 0.39 0.01 0.03 0.01 58 T H H 72.15 2.33 21.93 22.89 91.83 49.67 -64.55 -42.25 4.70 0.12 95.17 1.20 0.61 2.77 94.67 0.63 0.02 0.07 0.03 59 Y H H 72.75 8.77 17.52 27.55 92.35 48.75 -65.97 -40.89 6.30 0.24 93.46 1.81 0.98 3.68 91.93 1.37 0.04 0.14 0.06 60 T H H 27.05 12.68 13.13 27.05 92.21 51.38 -66.57 -38.77 9.29 0.24 90.47 3.24 1.28 4.81 88.44 2.00 0.02 0.14 0.07 61 E H H 126.47 2.20 16.99 19.25 92.46 52.76 -65.70 -38.51 15.56 0.16 84.28 2.82 1.71 10.66 82.45 2.18 0.04 0.09 0.06 62 H H H 136.80 1.72 14.97 16.53 93.76 48.18 -73.53 -26.44 26.42 0.22 73.37 3.73 3.50 19.14 71.46 1.92 0.05 0.09 0.12 63 A C H 44.44 9.90 9.06 19.72 99.75 61.39 -83.52 -4.21 65.57 0.62 33.81 17.09 14.53 32.58 33.06 2.12 0.02 0.21 0.40 64 K C T 177.80 0.65 14.79 14.08 96.19 -129.48 35.97 19.87 91.17 0.37 8.46 24.50 15.19 51.50 6.42 2.00 0.00 0.15 0.23 65 R C C 114.42 6.15 10.14 18.16 124.66 108.29 -110.45 148.20 92.37 1.02 6.61 57.29 22.15 12.99 3.83 2.64 0.00 0.43 0.67 66 K C S 160.62 2.24 14.13 17.36 97.20 -145.82 -83.05 -15.80 95.68 1.46 2.86 31.90 56.80 7.29 1.42 1.26 0.00 0.91 0.41 67 T C C 84.71 3.46 17.82 22.09 128.47 40.54 -131.22 144.92 72.80 23.92 3.28 45.04 24.06 4.67 1.81 1.74 0.01 18.73 3.95 68 V C C 29.67 19.10 10.35 28.84 118.34 -150.68 -108.26 128.85 67.18 31.57 1.24 61.58 5.24 0.34 1.20 0.29 0.00 23.75 7.60 69 T C C 61.43 4.53 22.08 26.37 124.66 -149.29 -93.26 163.33 80.10 18.98 0.93 80.36 1.24 0.17 0.92 0.11 0.00 14.80 2.40 70 A H H 50.69 12.56 14.43 27.43 91.16 -104.85 -58.35 -39.20 1.92 0.01 98.08 0.33 0.26 1.14 97.90 0.37 0.00 0.00 0.00 71 M H H 107.83 3.46 20.68 24.05 91.51 54.44 -64.14 -40.02 0.59 0.00 99.41 0.07 0.04 0.39 99.24 0.26 0.00 0.00 0.00 72 D H H 42.65 10.73 19.08 30.70 91.86 50.40 -65.24 -40.43 0.19 0.00 99.81 0.03 0.01 0.11 99.61 0.23 0.00 0.00 0.00 73 V H H 12.72 20.25 16.87 37.13 91.82 49.74 -64.14 -43.42 0.09 0.00 99.91 0.01 0.00 0.05 99.86 0.07 0.00 0.00 0.00 74 V H H 52.32 8.68 20.81 30.30 91.33 49.92 -63.36 -42.90 0.12 0.00 99.88 0.01 0.00 0.08 99.86 0.05 0.00 0.00 0.00 75 Y H H 104.11 3.48 22.93 25.97 91.58 49.00 -64.02 -42.16 0.24 0.00 99.76 0.02 0.01 0.17 99.72 0.08 0.00 0.00 0.00 76 A H H 12.99 12.64 17.01 31.57 91.37 50.92 -63.04 -42.82 0.60 0.00 99.40 0.06 0.03 0.42 99.30 0.19 0.00 0.00 0.00 77 L H H 28.43 14.45 15.22 30.56 91.96 49.83 -64.23 -41.19 1.82 0.01 98.17 0.28 0.15 1.22 97.76 0.58 0.00 0.00 0.00 78 K H H 131.08 3.08 17.14 21.05 91.93 50.55 -65.10 -39.44 4.39 0.02 95.59 0.58 0.32 3.16 94.62 1.29 0.00 0.01 0.01 79 R H H 152.71 2.73 15.48 18.97 92.58 50.97 -68.20 -32.03 12.81 0.06 87.13 0.98 0.89 10.67 86.02 1.37 0.02 0.02 0.03 80 Q C T 93.80 7.19 12.56 20.97 96.05 48.89 -87.21 -4.59 56.13 0.20 43.68 2.46 3.99 47.62 44.04 1.67 0.03 0.07 0.13 81 G C T 56.88 2.31 14.67 17.63 98.22 -111.40 78.50 12.31 95.86 0.27 3.87 17.13 8.84 70.20 2.71 0.88 0.00 0.13 0.11 82 R C C 116.37 7.36 11.62 20.60 119.78 130.86 -100.46 140.54 93.69 2.49 3.82 81.36 9.41 2.85 2.32 1.40 0.00 1.19 1.47 83 T C C 80.51 5.59 13.79 20.92 117.79 -141.84 -98.46 139.41 90.95 4.82 4.23 83.28 4.78 2.80 2.15 1.81 0.00 2.64 2.53 84 L C C 87.64 10.10 11.12 21.83 105.53 -136.64 -83.47 43.40 82.79 6.47 10.73 38.18 23.82 21.77 3.12 6.84 0.03 3.08 3.16 85 Y C T 150.68 4.76 12.28 18.36 109.28 35.62 -88.69 101.88 85.15 4.60 10.25 18.53 25.02 42.03 2.71 7.02 0.03 2.46 2.19 86 G C C 55.56 2.88 12.01 16.16 103.66 -11.73 80.31 5.19 89.55 3.22 7.23 34.61 24.03 31.23 1.38 5.70 0.00 1.63 1.42 87 F C C 132.87 5.21 8.80 15.60 106.91 103.05 -92.58 46.26 90.49 5.14 4.37 59.27 15.00 16.14 1.27 2.90 0.00 2.48 2.95 88 G C C 55.76 2.59 11.28 15.37 108.79 -67.77 89.09 11.08 96.47 2.13 1.39 79.87 4.64 12.13 0.35 0.85 0.00 1.33 0.84 89 G C C 50.56 4.00 12.80 18.44 112.61 -61.77 89.77 -5.01 99.86 0.12 0.02 99.35 0.41 0.14 0.01 0.00 0.00 0.06 0.02