# 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 97.76 8.84 12.18 21.82 111.11 -147.03 -85.17 126.99 99.76 0.03 0.21 99.63 0.08 0.13 0.14 0.01 0.00 0.01 0.01 1 Q C C 121.75 3.85 11.92 17.40 108.93 -147.33 -87.35 113.28 72.29 0.66 27.05 65.75 1.20 4.62 26.49 1.37 0.00 0.27 0.30 2 I C C 91.90 7.30 10.44 19.06 109.76 -153.34 -87.81 126.51 57.33 0.79 41.88 43.52 6.49 5.42 42.22 1.72 0.00 0.33 0.29 3 D H H 90.37 4.22 16.00 21.04 107.00 -128.06 -80.24 111.04 46.22 0.47 53.31 36.97 3.69 4.47 52.91 1.59 0.00 0.20 0.18 4 K H H 70.41 16.74 12.61 28.13 94.57 -124.77 -64.96 -36.88 14.11 0.15 85.74 8.98 2.13 3.52 83.83 1.42 0.00 0.06 0.06 5 N H H 87.99 5.88 17.90 24.75 92.47 54.82 -64.85 -38.05 7.06 0.06 92.88 3.36 1.11 2.73 91.72 1.03 0.00 0.02 0.02 6 G H H 29.24 3.46 19.35 23.19 92.37 51.18 -64.24 -41.54 5.77 0.06 94.17 2.56 0.94 2.51 92.99 0.94 0.00 0.02 0.03 7 I H H 19.97 15.23 16.44 32.54 92.26 50.43 -64.58 -43.33 3.43 0.06 96.52 1.28 0.51 1.76 95.63 0.77 0.01 0.02 0.03 8 I H H 20.99 18.87 14.95 33.78 91.93 49.50 -63.80 -42.17 1.91 0.02 98.07 0.60 0.26 1.05 97.12 0.95 0.00 0.01 0.01 9 K H H 139.77 2.44 20.70 23.38 91.74 51.15 -64.02 -38.44 3.28 0.02 96.71 0.49 0.30 2.38 93.73 3.09 0.01 0.01 0.01 10 S H H 71.92 3.49 20.19 23.93 92.28 50.52 -70.15 -28.14 10.16 0.02 89.82 0.62 0.68 8.82 86.64 3.21 0.02 0.01 0.01 11 A H H 18.71 17.99 13.51 31.36 97.97 45.05 -96.27 -5.19 26.41 0.15 73.44 3.61 4.33 19.17 69.76 2.87 0.08 0.05 0.14 12 Q C C 70.80 12.84 14.55 27.86 109.19 119.42 -71.51 116.91 92.34 0.91 6.74 79.06 6.46 6.68 4.77 1.70 0.00 0.28 1.05 13 L C C 92.62 7.48 15.42 24.08 98.67 175.10 -85.89 -26.71 95.39 0.82 3.78 55.68 33.45 6.20 1.59 1.94 0.00 0.26 0.88 14 H C S 95.37 3.59 16.54 20.78 135.05 14.19 -140.35 162.83 95.10 2.94 1.96 40.58 50.34 3.22 0.61 1.10 0.00 0.63 3.52 15 D C T 123.22 2.18 12.73 16.59 91.85 -99.34 -62.13 -25.97 98.95 0.14 0.91 0.80 7.88 90.31 0.06 0.82 0.00 0.08 0.06 16 K C T 160.31 1.27 15.29 16.25 94.71 53.08 -90.72 0.92 99.30 0.16 0.54 1.66 6.60 90.97 0.04 0.57 0.00 0.10 0.05 17 D C C 37.09 14.84 9.81 24.95 106.64 116.44 -82.54 108.25 97.11 2.66 0.23 87.65 8.28 0.58 0.07 0.15 0.00 0.75 2.52 18 V C C 87.44 7.11 17.77 25.85 99.79 169.53 -98.15 -1.43 98.92 0.68 0.41 49.27 9.50 40.19 0.10 0.26 0.00 0.31 0.37 19 G C T 31.48 12.08 17.57 29.43 98.01 69.87 -45.15 4.14 99.06 0.53 0.42 19.68 35.72 43.74 0.10 0.28 0.00 0.24 0.23 20 S C C 36.99 8.64 20.54 30.38 117.24 133.72 -73.23 144.63 99.06 0.44 0.50 86.44 12.20 0.21 0.48 0.06 0.00 0.08 0.52 21 I H H 49.67 17.47 17.52 34.61 92.00 -127.26 -59.71 -37.27 1.36 0.00 98.64 0.17 0.20 0.78 98.71 0.13 0.00 0.00 0.00 22 Q H H 83.00 11.25 22.22 33.19 91.82 55.14 -63.69 -40.76 0.47 0.00 99.53 0.04 0.03 0.31 99.50 0.11 0.00 0.00 0.00 23 V H H 32.76 12.21 22.27 35.01 92.18 49.08 -65.76 -42.14 0.09 0.00 99.91 0.01 0.00 0.05 99.86 0.07 0.00 0.00 0.00 24 Q H H 32.61 17.98 22.89 39.87 91.65 50.46 -64.00 -42.91 0.05 0.00 99.95 0.00 0.00 0.02 99.94 0.03 0.00 0.00 0.00 25 V H H 12.35 20.69 22.36 42.50 91.45 49.70 -63.37 -43.35 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.02 0.00 0.00 0.00 26 S H H 32.54 10.43 25.47 36.46 91.65 50.68 -64.02 -42.01 0.07 0.00 99.93 0.00 0.00 0.04 99.93 0.01 0.00 0.00 0.00 27 L H H 44.25 12.32 25.21 37.67 91.77 49.43 -64.71 -42.41 0.11 0.00 99.89 0.00 0.00 0.07 99.91 0.01 0.00 0.00 0.00 28 L H H 13.21 21.45 22.28 43.03 91.89 49.44 -64.54 -42.46 0.14 0.00 99.86 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 29 T H H 29.45 15.49 22.82 37.86 92.00 50.84 -63.67 -42.18 0.15 0.00 99.85 0.01 0.01 0.08 99.89 0.01 0.00 0.00 0.00 30 S H H 44.71 5.80 25.15 31.32 91.63 50.10 -64.13 -41.46 0.12 0.00 99.88 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 31 Q H H 45.68 13.18 22.71 35.81 91.81 49.79 -64.73 -41.64 0.19 0.00 99.81 0.01 0.01 0.11 99.85 0.02 0.00 0.00 0.00 32 I H H 11.63 21.30 18.59 39.74 91.62 50.55 -63.85 -42.47 0.20 0.00 99.80 0.01 0.01 0.13 99.82 0.02 0.00 0.00 0.00 33 K H H 105.84 5.77 23.83 30.02 91.56 51.08 -63.45 -41.22 0.20 0.00 99.80 0.01 0.01 0.13 99.82 0.03 0.00 0.00 0.00 34 Q H H 84.04 4.83 23.39 28.26 91.69 50.10 -64.68 -41.21 0.27 0.00 99.73 0.02 0.01 0.19 99.75 0.04 0.00 0.00 0.00 35 L H H 14.58 18.86 17.51 36.54 92.11 50.45 -64.86 -41.36 0.24 0.00 99.76 0.02 0.01 0.15 99.77 0.05 0.00 0.00 0.00 36 T H H 38.15 12.54 18.84 31.90 91.73 51.61 -63.45 -41.48 0.29 0.00 99.71 0.02 0.01 0.18 99.72 0.06 0.00 0.00 0.00 37 D H H 84.77 1.87 22.99 22.82 91.85 50.41 -64.46 -41.47 0.52 0.00 99.48 0.04 0.02 0.37 99.42 0.15 0.00 0.00 0.00 38 H H H 55.83 8.46 17.73 27.74 92.08 49.26 -65.34 -40.70 0.79 0.00 99.21 0.05 0.04 0.64 98.92 0.35 0.00 0.00 0.00 39 L H H 24.19 16.30 12.17 28.86 91.97 51.89 -65.19 -38.34 1.37 0.00 98.63 0.10 0.11 1.10 98.02 0.68 0.00 0.00 0.00 40 L H H 112.28 2.66 16.33 19.61 92.40 51.80 -66.90 -34.29 5.49 0.00 94.51 0.28 0.34 4.75 93.85 0.78 0.00 0.00 0.00 41 A H H 80.16 1.47 15.54 16.35 94.12 47.82 -74.06 -30.74 14.74 0.01 85.25 0.52 1.53 12.43 84.85 0.64 0.01 0.00 0.01 42 N C C 68.49 7.87 10.42 19.71 108.95 33.48 -120.14 79.08 83.76 0.26 15.98 42.76 15.50 24.30 15.71 1.39 0.00 0.07 0.28 43 K C T 149.71 3.15 12.79 17.81 97.47 -159.76 -62.52 -9.27 96.53 0.16 3.32 13.89 11.40 71.38 1.38 1.76 0.00 0.08 0.11 44 K C T 150.96 2.38 14.09 17.15 98.58 58.99 -84.74 20.93 96.68 0.16 3.16 10.26 18.53 68.06 1.08 1.88 0.00 0.07 0.11 45 D C C 53.08 9.86 10.12 21.43 106.99 123.13 -92.58 98.68 94.01 0.27 5.72 86.02 5.86 2.59 3.61 1.53 0.00 0.08 0.30 46 F H H 133.55 3.45 14.91 19.83 94.98 -173.72 -68.52 -32.86 24.36 0.12 75.52 9.71 4.79 10.43 69.84 5.10 0.01 0.04 0.08 47 I H H 101.89 2.56 17.79 20.10 92.38 54.22 -65.86 -40.25 14.32 0.05 85.63 3.23 1.91 8.84 80.61 5.34 0.01 0.02 0.03 48 S H H 21.79 12.21 14.05 27.71 91.98 50.58 -65.57 -40.23 7.81 0.04 92.15 2.63 1.02 3.85 87.37 5.09 0.00 0.02 0.02 49 K H H 79.74 11.51 17.04 28.80 91.97 52.56 -63.80 -41.38 4.02 0.02 95.95 1.55 0.60 1.82 94.10 1.91 0.00 0.01 0.01 50 R H H 139.25 1.97 22.36 22.91 91.77 50.56 -64.48 -41.46 1.18 0.00 98.81 0.27 0.13 0.61 98.65 0.34 0.00 0.00 0.00 51 G H H 23.34 7.04 19.66 27.95 91.79 50.51 -63.74 -42.05 0.84 0.00 99.16 0.16 0.07 0.47 99.05 0.25 0.00 0.00 0.00 52 L H H 20.23 18.90 16.01 34.81 91.98 50.47 -64.21 -42.12 0.47 0.00 99.53 0.07 0.03 0.27 99.44 0.18 0.00 0.00 0.00 53 Y H H 118.89 6.31 21.55 28.25 91.65 50.41 -63.79 -40.94 0.32 0.00 99.68 0.04 0.02 0.19 99.64 0.11 0.00 0.00 0.00 54 A H H 59.01 2.76 22.93 24.42 91.73 50.04 -64.47 -41.42 0.60 0.00 99.40 0.05 0.02 0.41 99.39 0.12 0.00 0.00 0.00 55 K H H 43.94 14.16 19.09 33.45 92.07 49.09 -65.32 -41.60 1.19 0.00 98.81 0.08 0.05 0.91 98.79 0.16 0.00 0.00 0.00 56 V H H 25.54 16.27 17.95 34.40 91.78 50.56 -63.93 -42.32 0.61 0.00 99.39 0.07 0.04 0.38 99.41 0.09 0.00 0.00 0.00 57 S H H 54.64 2.83 22.91 24.80 91.26 51.03 -63.23 -41.90 0.54 0.00 99.46 0.07 0.03 0.33 99.51 0.07 0.00 0.00 0.00 58 K H H 93.85 5.55 22.30 28.03 91.62 49.59 -64.88 -41.17 0.37 0.00 99.63 0.03 0.02 0.24 99.65 0.05 0.00 0.00 0.00 59 R H H 30.74 19.40 17.19 36.11 91.78 50.62 -64.29 -41.50 0.20 0.00 99.80 0.02 0.01 0.13 99.81 0.04 0.00 0.00 0.00 60 K H H 90.82 9.49 21.13 30.80 91.45 51.80 -62.76 -41.38 0.11 0.00 99.89 0.01 0.00 0.07 99.89 0.03 0.00 0.00 0.00 61 R H H 133.23 2.06 24.43 24.84 91.57 50.26 -64.06 -41.59 0.13 0.00 99.87 0.01 0.00 0.09 99.87 0.04 0.00 0.00 0.00 62 L H H 25.19 14.72 19.94 35.20 91.81 49.79 -64.29 -42.68 0.14 0.00 99.86 0.01 0.00 0.10 99.84 0.05 0.00 0.00 0.00 63 L H H 15.72 19.51 17.47 36.99 91.54 50.93 -63.11 -41.29 0.18 0.00 99.82 0.01 0.01 0.12 99.79 0.07 0.00 0.00 0.00 64 K H H 110.72 3.04 23.60 25.93 91.37 51.40 -63.64 -41.09 0.52 0.00 99.48 0.03 0.02 0.39 99.33 0.23 0.00 0.00 0.00 65 Y H H 82.16 5.32 20.65 26.88 91.65 50.27 -63.88 -42.25 0.99 0.00 99.01 0.06 0.05 0.78 98.58 0.53 0.00 0.00 0.00 66 L H H 11.53 18.28 13.93 32.94 91.79 50.19 -65.04 -40.89 1.90 0.00 98.09 0.20 0.16 1.36 97.21 1.07 0.00 0.00 0.00 67 K H H 89.87 10.72 15.33 26.61 91.62 53.76 -64.71 -36.25 8.21 0.01 91.77 0.70 0.50 6.73 90.48 1.57 0.01 0.01 0.01 68 H H H 146.70 1.33 17.61 18.00 93.28 49.46 -72.35 -29.98 18.21 0.02 81.77 0.78 1.24 15.91 80.81 1.23 0.01 0.01 0.01 69 N H H 99.03 3.84 15.35 20.06 101.55 32.52 -97.12 -23.60 40.79 0.10 59.12 2.21 9.71 27.02 60.03 0.90 0.03 0.02 0.08 70 D C C 64.12 7.83 14.23 23.43 114.16 8.89 -138.49 89.12 97.62 0.20 2.19 92.95 2.22 2.37 2.04 0.20 0.00 0.05 0.16 71 L H H 76.15 10.78 12.68 24.62 94.11 173.46 -63.12 -37.12 1.53 0.00 98.47 0.37 0.16 0.75 98.41 0.31 0.00 0.00 0.00 72 E H H 131.50 1.39 20.13 20.05 91.68 53.55 -64.02 -41.37 0.54 0.00 99.46 0.04 0.03 0.39 99.24 0.29 0.00 0.00 0.00 73 A H H 29.74 7.89 17.64 27.38 91.65 49.62 -64.30 -41.40 0.20 0.00 99.80 0.02 0.01 0.14 99.57 0.26 0.00 0.00 0.00 74 Y H H 15.00 21.28 14.12 35.35 91.71 51.00 -62.71 -43.18 0.10 0.00 99.90 0.01 0.00 0.06 99.84 0.09 0.00 0.00 0.00 75 R H H 110.41 6.66 21.01 28.33 91.33 51.03 -63.16 -41.37 0.12 0.00 99.88 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 76 N H H 82.35 2.41 22.78 23.80 91.61 50.25 -64.17 -41.97 0.19 0.00 99.80 0.01 0.00 0.14 99.81 0.04 0.00 0.00 0.00 77 L H H 15.49 16.80 17.51 35.10 91.98 49.44 -64.35 -43.29 0.23 0.00 99.77 0.02 0.01 0.15 99.75 0.07 0.00 0.00 0.00 78 V H H 15.64 18.19 15.32 33.88 91.89 49.60 -63.56 -42.85 0.48 0.00 99.51 0.05 0.03 0.32 99.40 0.20 0.00 0.00 0.00 79 K H H 141.45 1.62 19.59 20.45 91.77 49.41 -64.57 -40.84 1.47 0.00 98.52 0.10 0.07 1.15 98.12 0.55 0.00 0.00 0.00 80 T H H 81.81 4.02 17.52 22.27 91.59 50.83 -65.74 -35.26 6.50 0.00 93.50 0.21 0.25 5.99 92.94 0.59 0.00 0.00 0.00 81 L C T 31.19 16.74 12.10 29.14 94.55 46.43 -88.71 -1.27 64.71 0.05 35.24 0.96 2.42 59.68 35.60 1.27 0.00 0.01 0.05 82 N C T 125.74 1.70 19.81 21.08 94.67 -122.64 60.60 39.28 96.92 0.04 3.04 5.63 2.41 88.89 2.67 0.35 0.00 0.02 0.02 83 L C C 36.31 18.29 9.41 26.58 103.59 148.23 -90.39 27.40 95.43 0.78 3.80 85.81 3.77 6.20 2.34 1.05 0.00 0.32 0.51 84 R C C 149.29 4.78 14.41 20.86 112.57 122.25 -90.09 123.31 95.34 1.46 3.20 87.18 1.44 7.10 2.12 0.67 0.00 0.71 0.78 85 G C C 52.60 3.48 16.36 20.77 106.37 8.31 79.76 -4.06 99.96 0.03 0.01 99.73 0.16 0.08 0.00 0.00 0.00 0.01 0.00