# 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 115.94 5.18 10.47 17.21 111.95 -162.09 -88.41 125.11 99.93 0.04 0.03 99.82 0.10 0.05 0.01 0.00 0.00 0.01 0.01 1 E C C 133.55 2.93 9.49 14.12 110.79 -141.44 -86.89 118.50 91.42 0.64 7.94 87.36 1.05 4.26 1.63 5.07 0.00 0.31 0.31 2 H C C 144.87 2.71 9.18 13.66 105.26 -148.26 -85.89 16.69 90.59 0.68 8.73 46.51 15.46 27.42 0.99 8.93 0.00 0.36 0.32 3 N C C 128.08 1.41 11.05 13.19 107.24 99.91 -92.54 77.82 91.39 1.01 7.61 47.13 18.05 25.39 0.83 7.60 0.00 0.50 0.51 4 L C C 64.11 10.87 6.32 17.35 119.74 158.08 -91.85 142.90 97.36 1.65 0.99 68.81 27.33 0.81 0.51 0.36 0.00 0.34 1.84 5 S C C 54.50 2.81 12.85 16.79 118.35 -112.50 -72.34 159.45 99.74 0.10 0.16 98.18 1.53 0.07 0.13 0.01 0.00 0.03 0.06 6 P H H 106.88 1.59 12.08 14.38 91.50 -105.89 -58.57 -37.36 2.78 0.00 97.22 0.55 0.40 1.54 97.09 0.42 0.00 0.00 0.00 7 L H H 105.50 1.93 13.19 15.51 91.99 51.66 -64.94 -40.16 1.66 0.00 98.33 0.27 0.16 1.04 98.06 0.47 0.00 0.00 0.00 8 Q H H 71.42 6.70 12.57 21.02 92.14 49.31 -65.96 -39.67 0.63 0.00 99.37 0.16 0.06 0.32 99.08 0.38 0.00 0.00 0.00 9 Q H H 86.13 4.29 14.23 19.96 91.65 51.16 -63.92 -41.01 0.25 0.00 99.75 0.06 0.02 0.11 99.73 0.08 0.00 0.00 0.00 10 E H H 110.32 1.65 17.25 17.87 91.91 50.04 -64.62 -41.29 0.28 0.00 99.72 0.05 0.02 0.14 99.76 0.03 0.00 0.00 0.00 11 V H H 62.73 4.83 16.05 22.19 91.91 49.52 -64.44 -42.61 0.24 0.00 99.76 0.03 0.01 0.14 99.78 0.03 0.00 0.00 0.00 12 L H H 57.73 7.70 14.99 24.29 91.77 50.05 -64.11 -41.23 0.22 0.00 99.78 0.03 0.01 0.12 99.81 0.03 0.00 0.00 0.00 13 D H H 77.73 2.48 18.11 20.27 91.79 50.95 -64.01 -41.21 0.28 0.00 99.72 0.04 0.01 0.15 99.76 0.03 0.00 0.00 0.00 14 K H H 111.80 2.42 17.89 20.07 92.06 50.24 -64.69 -41.20 0.32 0.00 99.68 0.03 0.01 0.20 99.71 0.04 0.00 0.00 0.00 15 Y H H 87.35 8.36 15.36 24.85 92.19 49.98 -64.97 -41.32 0.27 0.00 99.73 0.03 0.01 0.16 99.74 0.05 0.00 0.00 0.00 16 K H H 112.69 3.89 17.65 22.28 91.84 51.77 -63.76 -41.01 0.32 0.00 99.68 0.04 0.02 0.19 99.70 0.05 0.00 0.00 0.00 17 Q H H 105.96 1.80 19.02 19.59 92.03 49.84 -64.83 -41.51 0.51 0.00 99.49 0.05 0.02 0.34 99.53 0.06 0.00 0.00 0.00 18 L H H 67.20 6.03 17.06 24.30 91.93 50.14 -64.83 -41.40 0.32 0.00 99.68 0.04 0.01 0.19 99.70 0.05 0.00 0.00 0.00 19 S H H 37.55 7.79 15.87 25.16 91.73 51.69 -63.48 -41.20 0.25 0.00 99.75 0.03 0.01 0.13 99.77 0.05 0.00 0.00 0.00 20 L H H 93.22 2.21 19.42 20.76 91.87 50.33 -64.20 -40.95 0.28 0.00 99.72 0.03 0.01 0.17 99.74 0.05 0.00 0.00 0.00 21 D H H 78.23 2.98 18.73 21.64 92.24 49.42 -65.43 -40.53 0.33 0.00 99.67 0.04 0.02 0.19 99.70 0.06 0.00 0.00 0.00 22 L H H 57.45 9.42 15.30 25.87 91.86 51.35 -64.01 -41.03 0.25 0.00 99.75 0.03 0.01 0.14 99.75 0.06 0.00 0.00 0.00 23 K H H 115.64 3.46 18.42 22.35 91.80 51.31 -63.93 -40.43 0.31 0.00 99.69 0.04 0.01 0.18 99.69 0.08 0.00 0.00 0.00 24 A H H 61.15 2.07 18.99 20.09 91.86 50.19 -64.34 -41.21 0.55 0.00 99.45 0.05 0.03 0.37 99.45 0.10 0.00 0.00 0.00 25 L H H 63.23 6.75 16.23 24.37 92.00 50.30 -64.79 -41.18 0.65 0.00 99.35 0.09 0.04 0.40 99.36 0.11 0.00 0.00 0.00 26 D H H 61.42 6.70 16.29 24.32 91.74 51.91 -63.71 -40.70 0.65 0.00 99.35 0.12 0.04 0.33 99.43 0.09 0.00 0.00 0.00 27 E H H 107.74 1.90 18.83 19.64 92.02 50.46 -64.87 -40.62 0.65 0.00 99.34 0.10 0.04 0.35 99.41 0.10 0.00 0.00 0.00 28 T H H 66.10 3.67 17.49 21.66 92.24 50.46 -65.06 -41.65 0.76 0.00 99.24 0.14 0.05 0.40 99.27 0.13 0.00 0.00 0.00 29 I H H 58.97 8.52 14.54 24.52 92.33 50.03 -64.61 -41.30 0.76 0.00 99.24 0.17 0.06 0.38 99.20 0.19 0.00 0.00 0.00 30 K H H 113.80 3.43 16.79 20.93 92.02 51.44 -64.22 -40.44 1.38 0.01 98.61 0.28 0.10 0.82 98.31 0.49 0.00 0.00 0.00 31 E H H 114.30 1.88 17.02 18.28 92.21 50.39 -65.53 -39.83 3.51 0.01 96.48 0.48 0.27 2.48 95.88 0.87 0.00 0.01 0.00 32 L H H 77.44 5.46 14.68 21.36 93.08 50.47 -67.13 -37.85 7.57 0.03 92.40 1.21 0.80 5.13 91.55 1.27 0.01 0.01 0.01 33 N H H 74.98 6.35 13.59 21.29 94.71 53.03 -71.06 -31.95 24.76 0.19 75.05 7.19 3.53 14.05 72.93 2.09 0.02 0.08 0.11 34 Y H H 139.87 3.18 14.09 18.09 97.26 57.65 -75.95 -28.85 38.59 0.37 61.04 14.19 7.87 17.11 57.19 3.25 0.03 0.14 0.22 35 S H H 63.84 3.73 12.77 17.67 100.44 60.75 -77.49 -21.10 42.61 0.51 56.88 21.31 8.54 13.51 51.70 4.45 0.02 0.22 0.26 36 Q H H 107.82 4.03 11.92 17.30 99.21 58.91 -76.07 -21.67 42.60 0.77 56.62 23.50 8.02 12.30 49.81 5.64 0.02 0.37 0.35 37 H H H 113.17 4.63 10.94 17.07 100.66 64.72 -80.59 -15.45 44.22 1.01 54.76 27.52 7.50 10.27 48.07 5.69 0.02 0.51 0.42 38 R H H 149.08 3.06 11.79 16.12 99.92 69.75 -76.52 -23.78 44.23 1.03 54.74 27.62 8.05 9.64 47.53 6.19 0.02 0.51 0.44 39 Q H H 115.53 2.98 11.56 15.74 101.52 59.08 -80.80 -10.08 48.07 1.02 50.91 29.91 8.13 10.80 43.80 6.39 0.01 0.50 0.45 40 Q C H 106.24 4.27 10.73 16.47 102.54 69.28 -80.87 -3.25 52.94 0.96 46.10 34.45 8.62 10.41 39.20 6.39 0.01 0.44 0.49 41 H C H 115.86 4.69 10.35 16.58 100.48 75.55 -76.85 -21.90 55.64 0.81 43.55 32.97 8.75 14.42 35.11 7.89 0.01 0.36 0.48 42 S C C 73.71 3.09 11.04 15.43 100.06 63.07 -77.09 -17.92 61.44 0.58 37.98 29.33 11.66 21.32 28.04 8.98 0.01 0.24 0.42 43 Q C C 125.72 2.51 10.94 14.64 99.47 59.86 -82.84 -5.94 67.00 0.66 32.35 35.13 14.06 18.33 22.38 9.34 0.00 0.27 0.49 44 Q C C 109.35 4.77 9.63 16.05 104.52 83.31 -83.40 35.08 69.30 0.96 29.74 40.02 13.13 16.44 17.60 11.70 0.00 0.41 0.69 45 E C C 134.11 2.96 10.81 15.33 105.05 79.16 -83.04 29.40 76.96 0.84 22.19 39.00 14.01 24.60 11.84 9.59 0.00 0.38 0.59 46 T C C 107.51 1.78 12.40 14.84 105.08 60.87 -91.42 40.04 83.76 1.01 15.23 42.95 17.22 24.29 7.25 7.20 0.00 0.47 0.62 47 V C S 61.52 9.03 8.37 18.76 117.89 132.17 -96.83 138.36 97.04 1.03 1.93 46.49 49.23 1.33 1.56 0.38 0.00 0.29 0.72 48 S C C 58.59 2.87 14.67 18.17 113.97 -109.82 -70.14 147.40 98.01 0.21 1.78 95.85 1.74 0.44 1.67 0.12 0.00 0.07 0.09 49 P H H 85.40 5.55 11.02 18.33 93.07 -116.08 -60.01 -37.24 11.70 0.06 88.24 6.05 1.60 4.26 85.93 2.10 0.00 0.03 0.03 50 D H H 103.16 1.57 14.25 15.78 92.92 54.75 -66.27 -37.34 5.67 0.04 94.29 2.02 0.71 2.77 92.61 1.85 0.00 0.02 0.01 51 E H H 95.68 3.33 14.48 18.68 92.52 50.65 -66.13 -39.73 2.20 0.03 97.78 1.08 0.28 0.89 95.99 1.74 0.00 0.02 0.01 52 I H H 64.40 6.67 13.11 21.61 92.05 50.51 -64.90 -42.06 1.13 0.01 98.85 0.49 0.12 0.48 98.39 0.51 0.00 0.00 0.00 53 L H H 82.06 3.41 15.52 19.77 91.92 49.83 -64.40 -40.68 0.82 0.00 99.17 0.27 0.07 0.40 98.97 0.28 0.00 0.00 0.00 54 Q H H 97.92 2.15 16.63 18.51 92.07 50.59 -64.37 -40.92 0.47 0.00 99.53 0.12 0.03 0.23 99.46 0.15 0.00 0.00 0.00 55 E H H 92.15 4.02 15.91 20.91 92.30 50.15 -65.07 -40.76 0.64 0.00 99.36 0.09 0.03 0.39 99.31 0.17 0.00 0.00 0.00 56 M H H 88.76 4.75 15.67 21.60 92.05 50.39 -65.10 -40.67 0.68 0.00 99.32 0.11 0.04 0.39 99.29 0.17 0.00 0.00 0.00 57 R H H 129.13 2.29 16.91 19.12 92.02 50.84 -64.63 -40.52 0.53 0.00 99.47 0.10 0.03 0.28 99.51 0.08 0.00 0.00 0.00 58 D H H 77.46 2.80 17.02 20.00 92.14 50.54 -65.06 -40.68 0.61 0.00 99.39 0.09 0.03 0.34 99.46 0.07 0.00 0.00 0.00 59 I H H 75.99 5.13 15.52 21.97 92.21 50.75 -64.70 -41.59 0.37 0.00 99.63 0.07 0.03 0.19 99.65 0.06 0.00 0.00 0.00 60 E H H 97.52 3.86 16.54 21.20 92.13 51.06 -64.58 -40.36 0.32 0.00 99.68 0.06 0.02 0.17 99.70 0.05 0.00 0.00 0.00 61 V H H 87.18 2.14 17.84 19.38 92.52 49.47 -65.45 -41.13 0.40 0.00 99.59 0.07 0.03 0.22 99.63 0.05 0.00 0.00 0.00 62 K H H 105.74 3.65 17.27 21.47 92.38 50.15 -65.18 -41.14 0.52 0.00 99.48 0.08 0.03 0.29 99.52 0.06 0.00 0.00 0.00 63 I H H 71.74 6.80 15.90 24.02 92.05 50.35 -64.75 -41.20 0.43 0.00 99.57 0.06 0.02 0.24 99.59 0.08 0.00 0.00 0.00 64 G H H 36.45 3.30 17.84 21.47 91.85 51.57 -63.92 -41.03 0.85 0.00 99.15 0.08 0.04 0.61 99.17 0.11 0.00 0.00 0.00 65 L H H 92.20 2.45 18.57 20.57 92.21 49.87 -65.18 -41.47 0.73 0.00 99.27 0.05 0.04 0.55 99.26 0.11 0.00 0.00 0.00 66 V H H 63.98 5.53 16.77 23.56 91.75 50.01 -64.05 -42.74 0.23 0.00 99.77 0.03 0.01 0.13 99.77 0.06 0.00 0.00 0.00 67 G H H 31.85 5.70 16.48 23.50 91.69 50.53 -63.52 -41.44 0.37 0.00 99.63 0.04 0.02 0.23 99.61 0.10 0.00 0.00 0.00 68 T H H 76.87 2.27 18.30 20.05 91.91 49.96 -64.72 -41.25 0.54 0.00 99.46 0.05 0.03 0.38 99.38 0.16 0.00 0.00 0.00 69 L H H 93.12 2.66 17.89 20.47 92.03 49.79 -64.73 -41.90 0.70 0.00 99.30 0.06 0.04 0.51 99.22 0.18 0.00 0.00 0.00 70 L H H 76.13 6.14 16.17 23.51 91.93 49.16 -64.91 -41.35 1.43 0.00 98.57 0.22 0.11 0.94 98.42 0.30 0.00 0.00 0.00 71 K H H 110.34 4.14 17.40 22.38 91.88 50.55 -64.20 -40.37 2.14 0.00 97.86 0.22 0.14 1.60 97.51 0.53 0.00 0.00 0.00 72 G H H 37.40 2.46 18.06 20.21 92.12 50.94 -64.44 -41.39 4.09 0.01 95.90 0.31 0.26 3.28 95.43 0.71 0.00 0.00 0.00 73 S H H 54.03 3.76 17.68 21.89 92.12 50.12 -65.35 -41.10 6.20 0.02 93.78 0.57 0.41 4.85 93.40 0.75 0.00 0.01 0.01 74 V H H 60.64 6.79 16.22 24.22 91.89 49.71 -64.31 -42.47 2.70 0.01 97.30 0.38 0.28 1.77 97.28 0.28 0.00 0.00 0.00 75 Y H H 120.39 3.33 17.51 21.23 91.76 50.26 -64.07 -41.48 0.82 0.00 99.18 0.20 0.07 0.41 99.18 0.13 0.00 0.00 0.00 76 S H H 57.70 2.44 17.52 19.77 91.66 50.92 -64.18 -40.87 0.54 0.00 99.46 0.13 0.04 0.28 99.45 0.11 0.00 0.00 0.00 77 L H H 77.71 4.07 16.44 21.36 91.84 50.34 -64.52 -41.83 0.33 0.00 99.67 0.06 0.02 0.18 99.65 0.08 0.00 0.00 0.00 78 I H H 77.34 4.43 15.77 21.27 91.80 49.34 -64.04 -42.37 0.33 0.00 99.67 0.06 0.02 0.19 99.65 0.08 0.00 0.00 0.00 79 L H H 88.37 2.40 16.24 18.69 91.76 49.56 -64.15 -41.35 0.63 0.00 99.36 0.12 0.04 0.38 99.32 0.13 0.00 0.00 0.00 80 Q H H 98.44 2.17 15.78 17.90 92.05 50.59 -65.24 -40.35 1.12 0.00 98.87 0.17 0.07 0.72 98.86 0.17 0.00 0.00 0.00 81 R H H 118.39 3.18 14.71 18.68 92.30 51.22 -65.45 -40.13 1.48 0.00 98.52 0.27 0.13 0.88 98.45 0.26 0.00 0.00 0.00 82 K H H 107.67 2.60 14.51 17.78 92.18 51.59 -63.92 -40.58 1.94 0.01 98.05 0.44 0.18 1.08 97.87 0.42 0.00 0.00 0.00 83 Q H H 101.07 1.82 14.34 16.08 92.10 50.19 -64.93 -40.09 2.80 0.01 97.18 0.62 0.27 1.61 96.86 0.62 0.00 0.00 0.00 84 E H H 112.08 1.94 13.59 15.80 92.48 50.08 -66.02 -39.42 5.00 0.02 94.98 1.05 0.55 3.05 94.47 0.86 0.01 0.01 0.01 85 Q H H 105.42 2.41 12.60 15.76 93.01 49.67 -67.42 -37.13 10.80 0.05 89.15 2.39 1.37 6.77 87.83 1.59 0.01 0.02 0.03 86 E H H 124.14 1.71 12.40 14.47 93.82 52.54 -68.26 -33.87 20.38 0.10 79.52 4.51 2.79 13.04 77.23 2.31 0.02 0.04 0.06 87 S H H 75.29 1.88 11.29 13.84 95.96 52.93 -74.31 -22.44 38.41 0.25 61.34 12.01 5.64 21.50 57.54 3.04 0.02 0.09 0.16 88 L C H 107.60 2.81 9.86 14.07 99.49 63.71 -77.33 -15.75 55.18 0.44 44.38 16.52 11.53 28.34 38.27 4.83 0.04 0.16 0.32 89 G C T 50.37 2.55 10.38 14.13 103.82 40.24 -54.84 -23.62 68.80 0.44 30.75 25.89 12.27 32.08 22.11 7.12 0.01 0.17 0.36 90 S C C 84.68 1.99 8.80 12.11 101.34 62.18 -78.86 -6.01 69.95 0.70 29.35 32.03 15.39 23.35 14.80 13.59 0.01 0.27 0.58 91 N C C 126.63 1.34 8.50 10.86 102.49 68.55 -84.28 10.01 74.66 0.97 24.37 37.23 13.69 24.44 10.87 12.65 0.00 0.41 0.69 92 S C C 83.88 2.36 7.06 11.13 106.67 97.39 -84.14 71.95 85.09 0.59 14.32 69.35 2.86 14.71 6.38 6.03 0.00 0.30 0.39 93 K C C 156.12 1.83 9.89 13.12 106.73 111.60 -86.63 78.48 99.91 0.05 0.04 99.75 0.13 0.07 0.02 0.00 0.00 0.02 0.01