# 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 R C C 139.83 5.90 12.31 19.74 113.97 -167.23 -93.28 135.15 99.88 0.04 0.08 99.76 0.11 0.05 0.06 0.00 0.00 0.01 0.01 1 N C C 85.55 4.43 10.96 16.93 113.61 -132.58 -86.69 142.03 86.31 0.31 13.38 83.89 0.68 1.49 13.33 0.34 0.00 0.08 0.18 2 L H H 120.59 2.28 11.24 14.88 93.84 -126.67 -61.89 -35.68 12.35 0.06 87.59 5.93 1.71 4.49 86.09 1.72 0.00 0.02 0.03 3 S H H 66.75 1.96 13.32 15.59 92.90 53.68 -66.02 -39.13 8.90 0.05 91.05 3.73 1.16 3.83 89.14 2.10 0.00 0.02 0.02 4 A H H 39.08 5.10 12.25 19.53 92.61 51.97 -65.20 -39.84 4.24 0.03 95.73 2.07 0.60 1.63 93.69 1.97 0.00 0.02 0.01 5 L H H 73.20 4.89 13.56 20.13 92.24 51.42 -64.33 -41.41 2.59 0.02 97.39 1.23 0.36 0.97 96.69 0.73 0.00 0.01 0.01 6 K H H 115.57 2.00 16.21 17.95 92.17 50.60 -64.55 -41.09 2.45 0.02 97.53 1.11 0.29 0.95 97.22 0.41 0.00 0.01 0.01 7 R H H 132.82 2.72 16.41 19.39 92.45 49.98 -65.21 -40.49 2.31 0.01 97.67 0.95 0.26 0.95 97.52 0.32 0.00 0.00 0.01 8 H H H 90.84 6.18 15.54 22.83 92.57 50.25 -65.64 -40.74 2.33 0.01 97.65 0.91 0.25 0.98 97.56 0.29 0.00 0.00 0.01 9 R H H 128.52 3.04 17.70 20.88 92.00 50.34 -64.87 -41.07 2.62 0.01 97.37 0.91 0.29 1.19 97.31 0.29 0.00 0.00 0.00 10 Q H H 91.16 2.83 18.39 21.09 92.15 49.83 -65.28 -41.04 2.98 0.01 97.01 1.00 0.34 1.33 97.06 0.24 0.00 0.00 0.01 11 S H H 35.65 7.29 15.73 24.81 92.43 50.62 -64.98 -40.73 2.97 0.01 97.02 1.09 0.33 1.21 97.16 0.20 0.00 0.00 0.00 12 L H H 76.09 4.87 17.45 23.26 91.87 50.70 -64.63 -41.20 1.68 0.00 98.32 0.52 0.18 0.75 98.40 0.16 0.00 0.00 0.00 13 K H H 115.00 2.28 19.62 21.11 91.95 50.06 -64.61 -41.29 1.21 0.00 98.78 0.35 0.11 0.55 98.85 0.12 0.00 0.00 0.00 14 R H H 104.88 6.68 17.69 25.28 92.15 49.99 -65.03 -41.07 0.90 0.00 99.09 0.23 0.08 0.42 99.16 0.10 0.00 0.00 0.00 15 R H H 104.39 8.79 17.34 26.77 91.98 50.60 -64.32 -40.79 0.83 0.00 99.17 0.18 0.07 0.41 99.24 0.09 0.00 0.00 0.00 16 L H H 89.66 2.78 20.43 22.49 91.89 49.74 -64.73 -41.39 0.67 0.00 99.33 0.13 0.05 0.36 99.38 0.08 0.00 0.00 0.00 17 R H H 120.50 3.68 20.66 24.35 91.85 49.78 -64.59 -41.31 0.61 0.00 99.39 0.10 0.05 0.34 99.44 0.07 0.00 0.00 0.00 18 N H H 31.45 14.91 15.69 31.12 92.46 50.49 -65.25 -40.11 0.85 0.00 99.15 0.14 0.06 0.50 99.22 0.08 0.00 0.00 0.00 19 K H H 110.08 5.30 20.49 26.45 91.75 51.37 -64.05 -40.83 0.56 0.00 99.44 0.09 0.04 0.33 99.47 0.06 0.00 0.00 0.00 20 A H H 59.73 2.50 22.53 23.70 91.88 49.93 -64.65 -42.07 0.60 0.00 99.40 0.10 0.05 0.35 99.44 0.06 0.00 0.00 0.00 21 K H H 52.26 13.66 19.23 33.01 92.06 49.04 -65.02 -42.13 0.61 0.00 99.39 0.10 0.05 0.36 99.42 0.06 0.00 0.00 0.00 22 K H H 59.18 16.12 18.49 33.94 91.40 51.73 -62.47 -42.22 0.53 0.00 99.47 0.10 0.04 0.30 99.50 0.05 0.00 0.00 0.00 23 S H H 60.67 2.52 24.35 25.51 91.48 50.24 -64.11 -40.67 0.56 0.00 99.44 0.10 0.04 0.31 99.50 0.05 0.00 0.00 0.00 24 A H H 47.92 5.77 23.11 29.25 91.55 50.11 -64.83 -41.00 0.62 0.00 99.38 0.06 0.03 0.39 99.46 0.05 0.00 0.00 0.00 25 I H H 8.72 23.16 16.32 39.60 91.89 50.25 -64.38 -42.94 0.36 0.00 99.64 0.04 0.02 0.20 99.71 0.03 0.00 0.00 0.00 26 K H H 95.86 9.71 22.65 32.45 91.32 51.41 -62.45 -41.82 0.31 0.00 99.69 0.04 0.02 0.17 99.74 0.03 0.00 0.00 0.00 27 T H H 75.42 2.08 25.86 25.94 91.46 49.28 -63.88 -42.27 0.29 0.00 99.71 0.03 0.01 0.17 99.74 0.04 0.00 0.00 0.00 28 L H H 26.30 14.87 21.23 36.36 91.79 49.29 -64.95 -42.14 0.18 0.00 99.82 0.02 0.01 0.11 99.83 0.03 0.00 0.00 0.00 29 S H H 8.30 22.20 18.35 40.23 91.40 51.40 -62.82 -42.84 0.17 0.00 99.83 0.01 0.01 0.10 99.85 0.03 0.00 0.00 0.00 30 K H H 114.44 3.46 25.61 29.04 91.42 50.70 -63.66 -41.70 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 31 K H H 102.82 4.28 25.85 30.07 91.68 49.45 -64.71 -41.33 0.16 0.00 99.84 0.01 0.00 0.11 99.84 0.03 0.00 0.00 0.00 32 A H H 3.00 23.98 17.56 41.92 91.44 50.37 -64.03 -43.38 0.09 0.00 99.91 0.01 0.00 0.06 99.91 0.03 0.00 0.00 0.00 33 I H H 50.26 14.30 22.34 36.10 91.29 50.05 -62.89 -42.45 0.08 0.00 99.92 0.00 0.00 0.05 99.91 0.03 0.00 0.00 0.00 34 Q H H 101.62 1.94 25.85 25.74 91.69 50.02 -63.94 -41.94 0.16 0.00 99.84 0.01 0.01 0.11 99.82 0.05 0.00 0.00 0.00 35 L H H 26.25 10.24 18.44 30.72 91.74 49.30 -64.33 -41.60 0.42 0.00 99.58 0.04 0.02 0.28 99.49 0.16 0.00 0.00 0.00 36 A H H 12.00 20.27 12.94 32.98 91.72 51.90 -63.97 -41.15 1.25 0.00 98.75 0.13 0.07 0.91 98.37 0.52 0.00 0.00 0.00 37 Q H H 126.99 3.16 18.41 22.60 91.29 52.94 -65.71 -30.97 6.63 0.00 93.37 0.19 0.25 6.18 92.84 0.53 0.00 0.00 0.00 38 E C T 133.58 1.59 18.04 18.64 92.51 52.16 -85.51 -3.17 74.91 0.01 25.08 0.35 1.30 72.19 25.53 0.62 0.00 0.00 0.01 39 G C T 45.84 6.81 14.54 22.63 96.24 -109.14 82.89 12.49 99.69 0.01 0.30 1.77 2.00 96.01 0.17 0.04 0.00 0.00 0.00 40 K C C 95.06 5.52 17.41 24.27 103.94 139.39 -95.15 86.19 99.49 0.11 0.40 99.04 0.41 0.18 0.22 0.04 0.00 0.02 0.08 41 A H H 35.68 16.48 12.68 29.00 94.45 167.42 -64.67 -38.25 4.73 0.01 95.26 2.32 0.75 1.67 94.25 1.01 0.00 0.00 0.00 42 E H H 133.61 1.77 22.59 23.44 91.69 52.84 -63.67 -41.19 1.94 0.00 98.06 0.25 0.20 1.34 97.06 1.15 0.00 0.00 0.00 43 E H H 92.66 4.37 22.73 27.03 91.93 47.47 -66.19 -39.67 0.95 0.00 99.04 0.15 0.07 0.62 98.17 0.99 0.00 0.00 0.00 44 A H H 3.94 22.33 14.11 36.96 91.59 52.31 -63.58 -42.56 0.47 0.00 99.52 0.10 0.03 0.25 99.26 0.36 0.00 0.00 0.00 45 L H H 54.89 12.59 21.74 34.15 91.59 51.77 -63.22 -41.40 0.35 0.00 99.65 0.05 0.01 0.20 99.57 0.16 0.00 0.00 0.00 46 K H H 117.68 2.00 26.58 26.93 91.58 50.84 -63.75 -42.11 0.46 0.00 99.54 0.04 0.02 0.33 99.48 0.14 0.00 0.00 0.00 47 I H H 26.94 14.84 21.54 36.65 91.71 49.51 -64.69 -42.37 0.34 0.00 99.66 0.03 0.01 0.23 99.65 0.08 0.00 0.00 0.00 48 M H H 11.08 23.89 18.45 41.91 91.51 51.93 -62.55 -42.75 0.12 0.00 99.88 0.01 0.00 0.06 99.88 0.04 0.00 0.00 0.00 49 R H H 126.45 5.25 25.32 31.25 91.45 51.04 -63.63 -41.57 0.10 0.00 99.90 0.01 0.00 0.07 99.89 0.03 0.00 0.00 0.00 50 K H H 108.41 3.62 26.65 30.11 91.61 49.56 -64.82 -41.25 0.27 0.00 99.73 0.01 0.01 0.22 99.71 0.05 0.00 0.00 0.00 51 A H H 3.58 22.99 18.72 41.93 91.66 50.25 -64.10 -42.88 0.31 0.00 99.69 0.01 0.01 0.23 99.71 0.03 0.00 0.00 0.00 52 E H H 46.91 17.39 22.21 38.39 91.28 51.83 -62.05 -42.47 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 53 S H H 60.57 2.46 26.90 28.06 91.33 50.69 -63.80 -42.07 0.09 0.00 99.91 0.00 0.00 0.07 99.91 0.01 0.00 0.00 0.00 54 L H H 46.15 11.30 23.44 35.07 91.68 49.09 -64.93 -41.92 0.13 0.00 99.87 0.01 0.00 0.09 99.87 0.02 0.00 0.00 0.00 55 I H H 4.71 25.10 17.46 42.71 91.62 49.20 -63.70 -42.87 0.10 0.00 99.90 0.01 0.00 0.06 99.89 0.03 0.00 0.00 0.00 56 D H H 61.93 8.68 23.40 32.29 91.40 50.85 -63.14 -41.89 0.26 0.00 99.74 0.02 0.01 0.17 99.76 0.04 0.00 0.00 0.00 57 K H H 114.26 2.36 25.37 26.36 91.87 49.57 -64.84 -41.39 0.55 0.00 99.45 0.03 0.02 0.42 99.43 0.09 0.00 0.00 0.00 58 A H H 10.56 14.91 17.05 33.32 92.08 50.11 -64.46 -41.58 1.13 0.00 98.87 0.11 0.07 0.83 98.75 0.24 0.00 0.00 0.00 59 A H H 23.62 15.21 14.76 30.28 92.13 51.89 -64.25 -40.02 4.56 0.02 95.41 0.60 0.36 3.43 94.80 0.76 0.03 0.01 0.02 60 K H H 156.90 1.32 19.56 20.07 91.32 52.99 -65.56 -28.27 13.73 0.03 86.24 0.52 0.81 12.81 85.05 0.73 0.05 0.01 0.02 61 G C T 44.10 4.56 15.49 21.09 93.55 53.53 -83.33 -3.62 86.36 0.03 13.61 0.47 3.96 81.29 13.46 0.77 0.00 0.01 0.04 62 S C T 86.50 3.17 16.85 21.13 95.81 -113.55 68.88 17.77 99.44 0.02 0.54 0.77 9.08 89.76 0.25 0.12 0.00 0.01 0.01 63 T C S 48.53 11.81 15.91 28.43 96.07 123.31 -80.59 -29.08 99.76 0.14 0.10 3.95 94.36 1.52 0.04 0.02 0.00 0.04 0.06 64 L C S 15.19 21.29 11.13 31.97 131.85 25.21 -133.66 150.29 98.56 1.33 0.11 7.63 90.48 0.70 0.06 0.02 0.00 0.26 0.85 65 H C C 108.80 3.04 21.47 23.68 115.92 -102.51 -70.38 149.22 99.70 0.19 0.11 99.11 0.61 0.05 0.08 0.01 0.00 0.05 0.10 66 K H H 124.58 8.54 13.51 23.50 91.69 -113.68 -57.83 -38.52 8.27 0.02 91.71 0.77 0.83 6.21 87.93 4.23 0.01 0.01 0.01 67 N H H 114.99 1.19 20.86 20.02 91.79 52.99 -64.29 -39.20 7.30 0.02 92.68 0.54 0.52 5.86 88.62 4.42 0.01 0.01 0.01 68 A H H 32.18 8.30 18.76 28.49 92.04 48.96 -66.45 -40.33 3.80 0.03 96.16 0.86 0.48 2.31 92.31 3.99 0.01 0.02 0.01 69 A H H 4.96 21.38 13.09 34.93 91.24 52.09 -62.98 -42.75 1.29 0.01 98.70 0.40 0.15 0.65 98.15 0.65 0.00 0.00 0.00 70 A H H 52.26 5.33 21.87 27.56 91.59 51.62 -63.45 -41.44 0.74 0.00 99.25 0.15 0.06 0.38 99.17 0.24 0.00 0.00 0.00 71 R H H 138.16 1.99 24.13 24.51 92.04 49.46 -64.59 -41.44 0.54 0.00 99.46 0.08 0.04 0.29 99.44 0.14 0.00 0.00 0.00 72 R H H 56.58 15.70 19.86 34.98 92.15 48.99 -65.40 -41.54 0.46 0.00 99.54 0.06 0.03 0.25 99.55 0.10 0.00 0.00 0.00 73 K H H 51.44 17.79 19.16 35.96 91.60 51.76 -62.27 -42.45 0.65 0.00 99.35 0.10 0.05 0.36 99.41 0.08 0.00 0.00 0.00 74 S H H 58.24 2.73 24.48 26.04 91.29 50.55 -63.49 -41.61 0.97 0.00 99.03 0.16 0.05 0.53 99.18 0.08 0.00 0.00 0.00 75 R H H 102.43 5.44 23.66 29.25 91.56 49.81 -64.39 -41.58 0.67 0.00 99.33 0.09 0.04 0.39 99.40 0.08 0.00 0.00 0.00 76 L H H 7.62 22.59 16.63 39.44 91.43 50.21 -63.74 -42.62 0.47 0.00 99.53 0.07 0.03 0.25 99.55 0.09 0.00 0.00 0.00 77 M H H 68.40 10.72 21.69 32.55 91.50 51.09 -63.00 -41.46 0.41 0.00 99.59 0.06 0.02 0.22 99.62 0.08 0.00 0.00 0.00 78 R H H 136.65 1.84 24.79 24.78 91.46 50.20 -64.30 -41.69 0.37 0.00 99.63 0.04 0.02 0.22 99.66 0.06 0.00 0.00 0.00 79 K H H 65.41 11.16 21.24 32.66 91.86 49.06 -65.13 -41.35 0.38 0.00 99.62 0.05 0.02 0.21 99.65 0.07 0.00 0.00 0.00 80 V H H 14.78 20.52 16.47 37.03 91.45 50.35 -63.32 -42.98 0.28 0.00 99.72 0.03 0.01 0.16 99.72 0.07 0.00 0.00 0.00 81 R H H 125.93 3.92 22.66 26.72 91.32 50.57 -63.22 -41.23 0.37 0.00 99.62 0.04 0.02 0.22 99.62 0.09 0.00 0.00 0.00 82 Q H H 95.25 3.02 22.52 24.85 91.83 49.94 -64.79 -41.10 0.73 0.00 99.27 0.08 0.04 0.47 99.23 0.17 0.00 0.00 0.00 83 L H H 26.81 15.70 16.12 32.36 92.06 50.30 -64.70 -41.42 1.07 0.00 98.92 0.16 0.09 0.66 98.81 0.28 0.00 0.00 0.00 84 L H H 62.15 11.86 17.37 29.52 91.95 50.58 -64.66 -40.11 3.08 0.01 96.91 0.59 0.29 1.85 96.69 0.56 0.00 0.00 0.00 85 E H H 133.75 1.65 19.88 20.61 92.37 51.03 -65.77 -35.98 9.75 0.04 90.22 1.79 0.96 6.29 89.96 0.97 0.01 0.01 0.02 86 A H H 55.19 6.66 15.17 23.01 93.76 51.85 -71.87 -27.00 21.25 0.14 78.61 5.43 2.85 12.61 77.16 1.81 0.01 0.05 0.08 87 A H H 56.27 10.86 12.83 24.08 99.59 72.05 -69.48 -12.75 44.14 0.28 55.58 8.40 5.63 29.45 53.42 2.80 0.02 0.10 0.17 88 G C T 57.26 2.35 17.23 19.76 97.93 25.16 69.29 0.12 67.37 0.38 32.25 15.75 8.81 42.51 29.08 3.44 0.01 0.14 0.27 89 A C C 45.03 10.33 10.72 22.13 116.81 121.19 -77.41 146.32 81.71 0.70 17.58 51.61 24.28 6.02 13.63 3.71 0.00 0.24 0.50 90 P C C 96.34 3.66 16.31 20.94 108.99 -108.77 -72.35 137.17 77.39 1.66 20.96 60.01 8.93 8.33 13.97 7.05 0.00 0.90 0.81 91 L C C 87.46 11.08 12.16 23.40 109.47 -130.58 -87.23 110.09 73.75 4.91 21.35 54.50 10.45 8.53 13.74 7.78 0.01 2.87 2.11 92 I C C 100.37 7.55 14.00 22.61 113.53 58.55 -96.13 127.53 75.30 5.54 19.16 47.11 12.61 15.54 12.32 6.85 0.02 3.31 2.24 93 G C C 50.18 4.58 14.62 20.63 108.11 9.85 84.37 8.36 84.25 2.47 13.28 38.58 18.97 27.65 6.15 6.27 0.01 1.32 1.06 94 G C C 44.30 7.01 13.42 21.59 111.87 66.84 -2.39 30.15 88.24 2.02 9.75 38.05 25.72 25.17 2.69 6.40 0.00 1.02 0.94 95 G C C 49.62 5.21 14.19 20.63 108.00 -46.76 29.89 40.79 86.98 3.96 9.06 48.57 22.45 16.40 2.22 6.65 0.00 2.29 1.43 96 L C C 90.88 9.37 10.37 20.47 110.07 120.96 -88.52 118.37 84.79 6.49 8.72 57.88 16.54 10.58 2.60 6.01 0.00 4.07 2.32 97 S C C 81.66 3.24 12.00 16.86 112.87 -142.10 -89.21 130.43 92.10 3.65 4.25 84.91 1.68 6.56 1.38 1.81 0.00 2.32 1.33 98 A C C 74.97 6.19 12.14 19.72 107.09 -129.63 -83.12 104.15 99.95 0.04 0.01 99.90 0.05 0.02 0.00 0.00 0.00 0.02 0.00