# 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 93.79 8.52 12.13 21.68 114.11 -159.28 -91.37 129.21 99.90 0.05 0.04 99.83 0.07 0.04 0.02 0.00 0.00 0.02 0.01 1 N C C 91.31 4.68 10.92 17.16 108.31 -135.56 -83.14 115.73 73.44 1.17 25.38 69.13 0.86 3.36 24.68 0.94 0.00 0.44 0.58 2 R H H 159.88 2.29 11.43 14.89 95.36 -153.61 -66.84 -32.65 30.10 0.46 69.44 17.97 4.50 7.73 67.68 1.72 0.01 0.19 0.21 3 S H H 64.08 3.30 12.71 17.15 93.98 55.01 -67.14 -38.11 15.78 0.25 83.97 9.33 2.40 4.57 81.87 1.61 0.00 0.11 0.10 4 V H H 66.61 5.24 12.83 19.78 92.95 51.45 -66.36 -40.80 4.30 0.07 95.62 2.31 0.71 1.47 94.49 0.96 0.00 0.04 0.02 5 N H H 82.85 3.59 15.82 20.25 92.55 51.59 -65.41 -40.61 2.58 0.04 97.37 1.38 0.36 0.95 96.68 0.59 0.00 0.02 0.01 6 I H H 84.42 3.25 16.72 20.43 92.20 50.16 -64.76 -41.75 1.32 0.01 98.67 0.53 0.17 0.57 98.41 0.31 0.00 0.00 0.00 7 A H H 44.32 5.50 16.09 23.13 92.14 50.60 -64.25 -41.11 1.00 0.01 98.99 0.33 0.11 0.47 98.88 0.20 0.00 0.00 0.00 8 K H H 100.30 5.14 17.61 23.71 92.12 50.53 -64.61 -40.81 0.96 0.00 99.04 0.25 0.09 0.50 98.99 0.16 0.00 0.00 0.00 9 N H H 78.79 3.96 18.07 22.48 92.36 50.33 -64.95 -40.73 1.12 0.01 98.88 0.27 0.10 0.61 98.86 0.15 0.00 0.00 0.00 10 L H H 82.88 4.11 17.91 22.57 92.22 50.46 -64.81 -41.16 1.17 0.01 98.82 0.30 0.10 0.63 98.82 0.14 0.00 0.00 0.00 11 I H H 69.86 5.72 16.79 23.77 92.27 49.69 -64.67 -41.97 0.96 0.01 99.03 0.37 0.09 0.41 99.02 0.10 0.00 0.00 0.00 12 Q H H 88.14 4.81 17.64 23.26 92.20 50.52 -64.60 -40.74 0.89 0.01 99.10 0.35 0.08 0.39 99.08 0.11 0.00 0.00 0.00 13 T H H 68.99 4.00 17.22 21.73 92.45 50.20 -65.17 -40.92 1.03 0.01 98.96 0.29 0.08 0.52 98.94 0.15 0.00 0.00 0.00 14 Y H H 119.10 3.92 17.35 21.80 92.66 49.99 -65.71 -41.17 1.24 0.01 98.75 0.31 0.11 0.67 98.67 0.23 0.00 0.00 0.00 15 R H H 117.91 5.03 16.92 22.68 92.72 50.27 -66.07 -40.27 2.56 0.01 97.43 0.58 0.24 1.50 97.20 0.46 0.00 0.01 0.00 16 A H H 50.40 5.61 14.94 21.94 92.83 51.40 -65.16 -39.95 5.99 0.03 93.98 1.39 0.62 3.67 93.13 1.15 0.01 0.01 0.01 17 M H H 107.17 3.20 16.30 20.06 93.42 50.80 -67.63 -36.34 13.07 0.07 86.85 3.05 1.46 8.17 84.67 2.56 0.02 0.03 0.03 18 S H H 60.27 4.77 15.19 20.62 94.76 52.45 -69.90 -33.44 33.45 0.18 66.37 8.49 3.60 20.71 63.67 3.33 0.02 0.08 0.10 19 V H H 73.21 6.46 13.39 21.21 96.20 53.03 -76.50 -29.38 37.29 0.31 62.40 14.68 5.53 17.44 58.03 3.99 0.03 0.14 0.17 20 Q H H 100.94 4.93 13.63 19.98 95.98 67.12 -67.06 -36.91 22.40 0.33 77.27 13.99 4.11 5.60 68.88 7.13 0.01 0.17 0.13 21 S H H 65.18 3.72 14.09 18.68 96.45 51.20 -69.79 -32.83 20.06 0.40 79.54 12.18 2.53 6.00 67.95 10.94 0.01 0.26 0.12 22 R H H 143.69 3.60 13.94 18.66 96.45 53.17 -72.67 -29.86 16.30 0.46 83.24 7.58 2.63 6.51 69.92 12.90 0.03 0.28 0.15 23 F H H 112.91 5.98 12.31 19.67 99.04 55.61 -80.01 -24.00 21.61 0.79 77.60 10.17 4.15 8.62 66.13 10.12 0.06 0.43 0.32 24 A H H 66.12 4.37 12.73 18.46 100.09 71.37 -76.60 -10.34 40.81 1.03 58.15 19.46 7.00 15.88 50.43 6.18 0.05 0.52 0.48 25 F C H 127.59 4.23 11.93 17.50 105.47 61.08 -84.11 18.46 58.91 1.10 39.99 31.09 9.56 18.78 34.35 5.13 0.02 0.48 0.59 26 S C C 60.74 5.08 11.58 18.21 110.89 75.58 -86.73 133.61 73.41 0.95 25.64 48.05 11.65 12.44 23.62 3.33 0.00 0.40 0.50 27 T C C 85.35 3.42 12.03 16.61 100.14 -113.04 -76.76 -24.11 72.73 0.96 26.31 51.24 9.40 10.67 24.64 3.16 0.00 0.44 0.45 28 R C H 142.68 2.76 12.68 16.36 96.16 62.20 -69.46 -33.61 50.14 0.87 48.99 36.10 6.91 6.77 46.59 2.87 0.00 0.41 0.35 29 E H H 105.90 3.72 12.79 17.81 94.57 57.25 -67.28 -37.84 24.85 0.33 74.82 17.05 3.78 4.82 70.96 3.11 0.00 0.16 0.12 30 E H H 105.78 3.31 13.77 18.06 93.51 53.62 -66.98 -39.06 13.12 0.23 86.65 8.37 1.97 3.68 82.25 3.52 0.00 0.13 0.07 31 E H H 104.18 2.74 14.94 18.11 93.07 52.23 -66.46 -39.96 8.87 0.20 90.93 5.31 1.40 2.94 86.83 3.34 0.00 0.12 0.05 32 W H H 119.94 3.83 14.45 19.45 92.89 51.13 -65.90 -41.47 6.55 0.13 93.31 3.43 1.05 2.52 90.35 2.52 0.00 0.08 0.04 33 L H H 79.44 4.24 14.64 20.21 92.88 49.96 -65.91 -41.04 6.45 0.14 93.41 3.28 1.07 2.52 90.98 2.02 0.00 0.08 0.04 34 D H H 79.57 3.18 15.67 19.45 92.96 51.12 -65.92 -39.84 8.91 0.14 90.95 4.21 1.36 3.69 88.99 1.62 0.01 0.07 0.05 35 K H H 118.87 2.58 16.11 18.85 93.12 51.22 -66.44 -39.64 10.66 0.14 89.20 4.61 1.76 4.76 87.06 1.67 0.01 0.07 0.06 36 R H H 130.05 2.90 16.21 19.43 93.10 50.63 -66.63 -39.86 11.29 0.14 88.56 5.20 1.94 4.52 86.66 1.54 0.01 0.07 0.06 37 T H H 60.35 5.07 15.14 21.60 92.91 50.26 -66.42 -40.18 15.00 0.19 84.81 7.72 2.25 5.42 82.89 1.54 0.01 0.09 0.08 38 K H H 109.59 3.82 16.60 21.08 92.76 51.80 -65.70 -39.62 13.25 0.14 86.61 6.94 2.25 4.37 84.91 1.41 0.01 0.06 0.06 39 S H H 52.72 2.95 16.63 19.98 92.72 51.61 -64.77 -41.35 12.48 0.15 87.37 6.80 2.09 4.06 85.36 1.56 0.00 0.07 0.06 40 Q H H 94.29 3.44 17.18 21.04 92.86 50.04 -65.95 -40.09 8.91 0.14 90.95 4.82 1.54 3.17 88.50 1.85 0.01 0.07 0.05 41 E H H 77.45 7.37 14.99 23.71 92.55 51.37 -65.65 -40.02 7.68 0.12 92.20 3.92 1.24 3.00 89.72 2.02 0.01 0.06 0.04 42 K H H 114.54 3.98 16.71 21.48 92.69 51.67 -65.40 -39.11 8.23 0.13 91.63 3.87 1.25 3.58 88.65 2.53 0.01 0.07 0.05 43 V H H 82.69 3.03 17.22 20.26 92.91 50.75 -66.16 -40.63 9.49 0.15 90.36 3.65 1.48 4.67 87.26 2.77 0.02 0.08 0.06 44 Y H H 110.81 5.15 16.42 22.46 93.60 49.28 -68.91 -38.54 12.48 0.25 87.27 4.80 2.03 6.18 83.87 2.87 0.02 0.13 0.10 45 F H H 77.98 8.64 13.85 23.85 99.72 49.39 -83.42 -20.30 21.15 0.41 78.44 10.43 3.90 7.58 75.68 2.03 0.02 0.18 0.17 46 D H H 68.98 4.89 16.11 21.85 104.95 73.44 -75.25 -40.90 28.04 0.28 71.68 17.54 3.26 6.33 71.66 0.99 0.00 0.10 0.13 47 Q H H 110.47 2.71 16.54 19.33 94.05 26.63 -64.92 -40.24 4.51 0.02 95.46 1.73 0.94 1.84 95.03 0.45 0.00 0.01 0.01 48 E H H 106.43 2.77 17.65 20.45 92.59 50.47 -65.74 -41.33 2.48 0.01 97.51 0.78 0.37 1.25 97.23 0.37 0.00 0.00 0.01 49 D H H 42.54 10.48 14.79 26.50 92.38 49.68 -65.54 -40.98 2.32 0.01 97.67 0.85 0.30 1.10 97.37 0.37 0.00 0.01 0.01 50 R H H 108.23 6.88 17.45 25.16 91.91 51.43 -64.16 -40.88 0.93 0.00 99.06 0.31 0.10 0.43 99.00 0.16 0.00 0.00 0.00 51 K H H 112.31 2.09 20.79 21.61 91.86 50.33 -64.40 -41.41 0.82 0.00 99.18 0.23 0.08 0.41 99.17 0.11 0.00 0.00 0.00 52 A H H 37.83 6.15 18.55 26.12 91.81 50.14 -64.16 -41.86 0.81 0.00 99.19 0.18 0.07 0.44 99.21 0.10 0.00 0.00 0.00 53 M H H 43.59 12.91 16.18 29.93 92.01 50.33 -64.50 -40.88 0.82 0.00 99.17 0.18 0.07 0.43 99.21 0.10 0.00 0.00 0.00 54 K H H 105.42 4.31 19.93 24.66 91.72 51.92 -63.88 -40.74 0.93 0.00 99.07 0.19 0.06 0.52 99.13 0.10 0.00 0.00 0.00 55 R H H 129.09 2.26 20.91 22.11 91.90 50.29 -64.89 -41.34 1.05 0.00 98.94 0.18 0.08 0.65 98.93 0.16 0.00 0.00 0.00 56 L H H 47.86 9.66 17.20 28.10 92.26 50.53 -64.54 -41.97 0.94 0.00 99.05 0.20 0.08 0.55 98.88 0.29 0.00 0.00 0.00 57 L H H 54.54 9.81 16.51 27.45 92.04 51.03 -64.11 -40.91 1.46 0.00 98.54 0.25 0.11 0.94 98.09 0.59 0.00 0.00 0.00 58 E H H 109.97 2.22 19.78 21.16 91.99 51.32 -64.61 -40.30 5.39 0.01 94.60 0.52 0.37 4.18 93.73 1.18 0.01 0.00 0.01 59 K H H 107.98 3.80 18.17 22.35 92.41 50.33 -66.25 -39.12 12.27 0.03 87.70 1.36 0.99 9.51 86.47 1.63 0.01 0.01 0.02 60 L H H 49.34 11.50 13.69 26.17 93.27 52.27 -67.04 -37.80 18.63 0.21 81.16 7.14 3.44 8.83 76.75 3.60 0.03 0.09 0.12 61 N H H 91.08 4.37 16.74 21.91 94.04 54.68 -66.41 -35.10 31.51 0.32 68.17 12.71 3.95 15.23 63.56 4.22 0.02 0.15 0.16 62 T H H 79.72 3.01 16.22 19.45 94.56 53.60 -71.47 -30.23 43.20 0.44 56.36 18.42 6.45 19.02 50.70 4.94 0.02 0.19 0.24 63 T H H 59.40 8.15 12.69 22.20 96.27 59.17 -75.14 -24.90 41.14 0.60 58.26 24.50 8.43 9.28 50.82 6.40 0.01 0.26 0.30 64 S H H 58.96 6.82 12.69 20.88 97.79 66.08 -74.41 -21.45 43.11 0.77 56.12 25.38 6.78 11.50 47.01 8.58 0.02 0.40 0.34 65 K H H 138.43 2.66 14.26 17.65 98.82 65.13 -78.34 -16.20 45.22 1.29 53.50 24.69 8.39 13.11 43.22 9.34 0.04 0.67 0.55 66 F H H 115.69 6.00 11.59 18.97 102.45 66.17 -86.81 -2.43 48.52 2.08 49.40 31.04 8.96 9.68 41.90 6.50 0.03 1.07 0.83 67 V C C 76.89 7.27 10.62 19.33 110.47 64.29 -94.05 107.57 56.70 2.13 41.17 39.04 7.64 9.92 37.01 4.42 0.01 1.12 0.83 68 E C C 133.66 3.24 12.58 17.07 106.39 -139.88 -84.23 76.89 67.87 1.06 31.07 39.80 11.32 16.12 27.31 4.44 0.00 0.48 0.53 69 D C C 80.25 4.66 12.05 18.16 112.01 75.81 -98.26 116.95 78.52 0.52 20.96 49.82 13.85 14.26 17.05 4.46 0.00 0.21 0.35 70 S C H 74.41 4.97 11.39 18.12 96.07 -140.26 -68.15 -24.81 57.97 0.52 41.51 22.90 11.59 23.51 28.24 13.17 0.01 0.22 0.36 71 E C H 132.77 2.22 14.25 17.05 95.48 64.21 -74.38 -23.81 52.18 0.72 47.10 20.05 9.74 22.40 32.62 14.42 0.02 0.34 0.41 72 Y H H 110.03 6.85 13.50 21.58 96.25 57.40 -75.29 -29.67 49.19 1.27 49.54 27.62 9.44 12.43 36.98 12.30 0.02 0.64 0.58 73 L H H 60.08 11.41 13.06 25.14 97.40 59.27 -75.27 -28.57 48.33 1.17 50.51 33.05 8.07 7.96 43.32 6.54 0.01 0.56 0.51 74 A H H 50.43 6.06 15.82 23.13 103.42 65.66 -72.82 -40.46 40.58 0.63 58.79 30.17 6.35 4.53 54.87 3.57 0.00 0.30 0.22 75 P H H 74.63 4.13 18.28 22.64 96.06 34.81 -66.84 -35.46 36.77 0.59 62.63 28.85 3.39 5.01 58.86 3.39 0.00 0.31 0.20 76 Q H H 64.25 11.54 16.55 28.41 94.31 50.89 -69.27 -35.84 32.97 0.38 66.65 25.74 2.93 4.78 63.51 2.72 0.00 0.17 0.14 77 N H H 57.72 13.01 16.32 29.20 93.57 56.67 -65.09 -39.47 23.00 0.18 76.82 17.48 2.07 3.56 75.11 1.64 0.00 0.07 0.07 78 L H H 95.24 2.65 20.91 22.78 92.22 51.97 -64.85 -40.94 5.22 0.05 94.73 3.06 0.65 1.49 93.89 0.88 0.00 0.02 0.01 79 E H H 89.65 5.77 20.67 26.93 92.03 50.43 -65.23 -40.63 3.33 0.04 96.63 1.66 0.39 1.31 95.73 0.87 0.00 0.02 0.01 80 V H H 12.69 19.97 15.93 35.95 92.12 50.51 -64.38 -42.31 2.04 0.03 97.93 0.96 0.23 0.82 97.40 0.56 0.00 0.02 0.01 81 E H H 76.74 9.11 19.79 29.52 91.51 51.96 -62.77 -41.25 1.54 0.02 98.44 0.56 0.16 0.69 98.28 0.30 0.00 0.01 0.00 82 N H H 81.26 2.51 22.46 23.73 91.63 50.59 -64.23 -41.06 2.94 0.02 97.03 0.68 0.26 1.84 96.74 0.46 0.00 0.01 0.01 83 I H H 24.84 12.89 17.71 31.98 91.79 50.33 -64.41 -42.89 2.42 0.05 97.53 0.63 0.30 1.45 96.71 0.86 0.01 0.03 0.01 84 L H H 20.94 16.71 14.14 31.41 92.11 50.26 -64.50 -40.24 2.50 0.07 97.42 0.67 0.29 1.54 95.53 1.89 0.01 0.05 0.02 85 K H H 134.65 2.35 17.52 20.17 92.02 51.49 -65.24 -38.92 4.62 0.03 95.34 0.54 0.35 3.63 92.45 3.00 0.01 0.02 0.01 86 R H H 146.24 2.81 16.18 19.68 91.96 52.53 -66.84 -33.23 12.59 0.04 87.37 0.62 0.79 11.25 84.26 3.00 0.03 0.01 0.02 87 Y C T 76.74 11.69 12.11 24.72 97.80 40.74 -98.52 5.23 67.21 0.12 32.67 1.93 4.33 59.86 30.84 2.85 0.02 0.04 0.12 88 H C T 156.16 1.92 16.82 18.71 95.85 -123.99 55.51 42.28 99.45 0.03 0.52 9.45 2.57 87.60 0.20 0.15 0.00 0.02 0.01 89 I C C 51.69 14.37 9.16 23.51 117.79 158.34 -100.79 134.23 99.05 0.48 0.47 93.83 4.01 1.21 0.17 0.25 0.00 0.19 0.34 90 N C C 126.61 1.37 19.68 20.06 108.42 -136.05 -92.05 113.40 99.44 0.36 0.20 96.70 2.08 0.72 0.06 0.10 0.00 0.16 0.18 91 Y C C 63.54 19.45 8.48 25.94 119.66 -167.36 -98.50 137.54 99.40 0.41 0.20 96.14 3.12 0.16 0.11 0.04 0.00 0.12 0.31 92 T C C 71.82 3.59 17.88 21.71 118.59 -135.18 -84.52 156.91 99.57 0.19 0.24 98.76 0.81 0.09 0.15 0.02 0.00 0.05 0.12 93 Q H H 125.74 4.41 14.11 20.42 92.70 -112.98 -59.81 -37.44 1.57 0.00 98.43 0.24 0.18 0.94 98.24 0.41 0.00 0.00 0.00 94 A H H 62.45 2.55 18.07 20.45 91.99 54.91 -64.08 -40.03 0.96 0.00 99.04 0.09 0.06 0.70 98.59 0.56 0.00 0.00 0.00 95 L H H 27.54 14.50 16.10 31.33 92.13 49.34 -65.38 -41.91 0.26 0.00 99.74 0.04 0.02 0.16 99.42 0.37 0.00 0.00 0.00 96 I H H 21.27 17.73 16.12 34.16 91.93 50.71 -62.91 -42.80 0.06 0.00 99.94 0.01 0.00 0.03 99.93 0.02 0.00 0.00 0.00 97 D H H 78.15 3.90 22.59 26.22 91.41 50.95 -63.68 -41.76 0.03 0.00 99.97 0.00 0.00 0.02 99.98 0.00 0.00 0.00 0.00 98 E H H 76.64 6.96 21.85 29.38 91.64 50.41 -64.32 -42.03 0.02 0.00 99.98 0.00 0.00 0.02 99.98 0.00 0.00 0.00 0.00 99 L H H 10.62 20.34 18.07 38.56 91.74 49.69 -64.26 -43.02 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 100 V H H 31.21 12.00 19.86 32.97 91.51 50.08 -63.11 -42.23 0.11 0.00 99.89 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 101 D H H 73.41 3.32 21.85 24.76 91.57 50.09 -64.17 -40.90 0.99 0.00 99.01 0.08 0.05 0.79 98.94 0.13 0.00 0.00 0.00 102 W H H 53.09 12.59 16.31 30.01 92.18 51.40 -64.41 -41.53 2.64 0.00 97.35 0.12 0.14 2.40 96.76 0.57 0.01 0.00 0.00 103 K H H 70.10 13.86 15.63 29.46 92.10 50.90 -67.47 -32.66 7.74 0.01 92.24 0.36 0.47 6.81 91.40 0.93 0.01 0.00 0.01 104 T C H 77.90 4.81 15.89 21.60 96.79 46.83 -90.04 -4.53 52.24 0.14 47.62 1.73 4.38 44.24 47.82 1.61 0.05 0.04 0.11 105 G C T 50.82 4.53 12.63 18.90 99.14 -110.18 74.77 15.31 91.19 0.23 8.58 13.97 8.50 68.15 8.17 0.98 0.00 0.09 0.14 106 K C C 132.36 3.41 11.44 16.59 108.26 136.01 -90.70 88.29 97.14 0.39 2.47 90.83 1.10 5.64 1.56 0.44 0.00 0.15 0.27 107 N C C 98.07 6.79 11.86 20.00 108.19 79.98 -92.04 90.04 99.96 0.03 0.02 99.82 0.09 0.06 0.01 0.00 0.00 0.01 0.00