# 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 42.66 4.28 13.29 18.91 121.63 -107.97 103.54 -172.87 99.64 0.18 0.18 99.14 0.33 0.25 0.11 0.02 0.00 0.09 0.04 1 S C C 72.39 3.42 10.96 15.71 112.57 -69.99 -92.66 146.08 68.68 2.31 29.01 62.30 2.03 5.47 23.18 4.66 0.00 1.10 1.26 2 L H H 110.71 4.02 8.99 14.51 96.83 -133.27 -71.25 -26.18 37.74 2.82 59.45 17.32 7.93 13.71 36.68 21.55 0.14 1.61 1.07 3 A H H 73.88 3.09 10.01 14.60 95.46 63.84 -69.79 -27.45 32.44 2.75 64.81 12.90 6.39 13.46 39.95 24.60 0.14 1.75 0.82 4 R H H 168.76 1.64 11.19 13.37 97.31 55.49 -82.38 -7.51 33.06 2.89 64.05 12.80 7.16 13.48 39.44 24.20 0.22 1.70 1.00 5 A C H 69.76 3.83 8.84 14.39 101.71 77.06 -80.03 -3.21 48.83 2.62 48.55 12.29 10.22 26.14 32.52 15.38 0.51 1.36 1.59 6 G C T 53.81 2.48 11.47 15.04 104.26 -30.02 61.70 0.98 66.57 2.55 30.88 17.92 13.69 35.02 19.14 11.37 0.13 1.32 1.42 7 K C C 145.91 2.20 10.50 14.04 107.49 72.50 -90.37 86.57 68.83 8.27 22.90 40.11 13.00 15.58 13.62 9.22 0.10 4.36 4.01 8 V C C 88.92 4.91 7.30 14.02 113.40 91.20 -96.23 123.16 73.38 13.27 13.34 51.23 12.95 7.31 9.43 4.37 0.05 5.83 8.83 9 R C T 185.04 1.31 9.28 11.76 110.49 -122.12 -76.41 128.26 82.90 6.65 10.45 17.72 11.10 53.78 5.69 4.65 0.04 3.87 3.15 10 G C T 65.86 0.69 10.29 10.69 99.18 8.40 77.23 1.47 91.87 1.30 6.83 10.74 16.30 64.98 2.23 4.36 0.00 0.82 0.56 11 Q C C 130.31 2.04 8.45 12.15 115.21 105.18 -95.08 136.65 91.37 3.44 5.19 49.43 30.89 10.91 1.91 3.07 0.00 1.41 2.37 12 T C C 99.49 2.54 8.31 12.76 116.87 -120.78 -96.65 132.51 94.71 3.36 1.92 71.80 21.48 1.17 1.50 0.53 0.00 1.43 2.08 13 P C C 87.80 4.15 8.62 14.81 113.91 -108.03 -67.26 149.62 90.26 2.36 7.38 77.01 7.81 5.14 5.40 2.17 0.00 1.45 1.02 14 K C C 164.18 1.22 10.29 12.55 113.22 -118.90 -84.85 132.00 83.45 7.56 8.99 69.00 8.69 4.52 7.03 2.30 0.00 3.79 4.67 15 V C C 96.57 4.78 6.70 13.32 117.36 -153.16 -99.14 135.66 79.74 5.78 14.49 69.81 6.78 2.57 12.64 2.28 0.00 3.20 2.71 16 A C C 77.79 1.93 9.22 12.31 113.77 -116.99 -75.46 148.74 77.87 2.40 19.73 70.29 4.49 3.23 16.65 3.07 0.00 1.49 0.79 17 K C C 164.33 1.21 8.47 10.72 106.47 -109.72 -77.51 119.45 57.26 2.01 40.73 41.34 9.15 7.16 33.03 7.49 0.01 1.16 0.66 18 Q C C 133.26 1.89 7.68 11.06 109.39 -124.81 -87.88 115.30 53.59 1.86 44.55 38.85 8.20 7.11 35.82 8.32 0.01 1.07 0.63 19 E C C 137.28 2.20 7.94 11.67 107.56 -132.23 -84.43 108.62 51.71 1.68 46.60 39.24 6.90 6.28 37.74 8.31 0.01 0.95 0.58 20 K C C 147.65 2.22 7.77 11.56 109.76 -139.95 -87.07 115.13 56.16 1.39 42.45 42.06 7.33 7.09 36.40 5.83 0.01 0.72 0.55 21 K C C 151.99 1.84 7.86 11.15 111.04 -154.45 -90.86 123.66 62.87 1.42 35.70 46.50 8.20 7.76 31.33 4.86 0.01 0.70 0.65 22 K C C 151.08 2.00 7.92 11.56 110.95 -152.68 -90.23 126.13 69.70 1.60 28.70 50.17 10.86 7.74 25.94 3.76 0.01 0.75 0.78 23 K C C 151.69 1.85 8.48 11.88 113.49 -136.21 -91.07 132.82 76.84 1.88 21.28 58.44 10.21 6.95 19.60 2.97 0.00 0.93 0.90 24 K C C 144.58 2.67 8.21 12.73 112.29 -136.49 -88.58 129.46 79.28 2.54 18.19 59.59 11.74 6.42 17.33 2.42 0.00 1.23 1.27 25 T C C 92.37 2.30 8.64 12.44 114.72 -169.66 -104.79 151.08 78.80 2.44 18.76 59.32 12.47 5.52 18.39 1.93 0.00 1.13 1.25 26 G H H 49.62 1.69 11.45 13.38 105.25 0.96 -19.00 -86.62 38.12 0.96 60.92 22.65 10.62 6.51 57.16 2.24 0.02 0.38 0.43 27 R H H 159.96 1.37 11.31 12.78 94.50 24.28 -66.99 -36.32 11.51 0.32 88.17 6.43 2.27 4.11 84.71 2.18 0.02 0.17 0.11 28 A H H 54.73 3.10 10.53 15.27 92.55 53.58 -64.55 -39.53 6.40 0.32 93.28 3.70 1.12 2.43 90.30 2.14 0.02 0.22 0.08 29 K H H 120.45 2.03 12.41 15.02 92.48 51.68 -64.99 -39.92 2.86 0.19 96.95 1.36 0.51 1.25 95.07 1.62 0.01 0.15 0.03 30 R H H 140.46 1.42 13.27 14.42 92.17 50.68 -65.04 -40.81 2.45 0.18 97.36 0.92 0.38 1.30 95.79 1.42 0.01 0.14 0.04 31 R H H 133.67 1.91 12.72 15.06 92.44 50.40 -65.37 -40.43 3.13 0.21 96.66 1.02 0.42 1.85 94.82 1.66 0.02 0.16 0.05 32 M H H 97.86 2.82 11.77 15.76 92.85 50.73 -65.90 -39.89 5.65 0.16 94.19 1.43 0.66 3.67 91.95 2.09 0.04 0.10 0.05 33 Q H H 115.85 1.59 12.36 14.15 93.44 51.87 -66.11 -38.74 13.25 0.21 86.54 2.29 1.34 9.65 84.11 2.32 0.07 0.11 0.10 34 Y H H 149.70 1.50 11.72 13.33 94.44 49.88 -71.78 -35.87 29.59 0.53 69.88 5.43 3.84 20.80 66.19 3.05 0.15 0.23 0.30 35 N H H 93.87 2.80 10.54 14.64 97.47 52.41 -80.06 -20.21 41.37 1.16 57.47 15.74 5.96 21.04 49.68 6.34 0.09 0.58 0.57 36 R H H 148.28 2.72 10.28 14.43 95.55 67.78 -67.50 -23.95 34.86 1.58 63.57 12.81 4.86 16.57 41.25 22.91 0.07 0.96 0.57 37 R H H 158.09 1.85 10.51 13.38 95.39 64.12 -72.15 -25.04 35.29 2.35 62.36 10.42 5.01 18.52 39.03 24.65 0.11 1.57 0.68 38 F H H 141.06 2.31 9.83 13.33 99.93 51.77 -86.51 -10.61 34.54 6.55 58.92 12.61 5.97 15.55 37.46 22.00 0.23 4.67 1.50 39 V H H 101.79 3.00 9.07 13.69 102.55 71.74 -85.41 -6.64 44.77 10.46 44.77 16.78 9.52 19.20 32.48 11.63 0.58 7.16 2.66 40 N C T 121.27 1.68 10.23 12.78 102.91 52.98 -90.70 15.70 62.03 8.59 29.38 23.61 11.33 27.38 20.83 8.34 0.18 6.56 1.77 41 V C C 106.64 2.63 8.91 13.22 111.12 101.91 -92.99 116.82 70.52 10.79 18.69 41.89 18.98 9.94 14.02 4.81 0.09 6.61 3.65 42 V C C 103.92 2.69 8.41 12.95 116.82 110.32 -102.88 127.05 85.90 8.51 5.59 61.75 21.52 2.52 4.15 1.69 0.00 5.19 3.17 43 P C C 98.93 2.71 8.89 13.50 113.40 -116.89 -70.84 144.88 85.63 4.71 9.66 68.67 8.55 8.20 4.52 5.10 0.00 3.42 1.55 44 T C C 106.10 2.08 7.92 11.74 113.57 -154.91 -100.20 127.51 82.97 5.14 11.89 52.68 14.66 15.45 4.49 7.45 0.01 2.72 2.56 45 F C C 169.99 1.26 7.75 10.14 110.72 -124.63 -92.04 115.83 83.91 4.53 11.56 33.90 20.20 30.82 3.26 7.48 0.01 2.32 2.00 46 G C C 58.06 1.62 9.07 11.81 110.33 9.51 88.73 -2.93 87.72 4.08 8.20 32.94 26.08 29.41 1.77 6.08 0.01 2.16 1.55 47 K C C 159.88 1.50 9.54 12.25 111.45 -25.95 -93.29 118.15 85.40 7.16 7.44 51.65 22.79 10.96 2.05 5.34 0.01 3.99 3.21 48 K C C 144.55 2.70 8.57 13.29 115.83 -144.60 -92.50 134.59 85.84 9.87 4.28 65.48 12.96 6.78 1.47 2.92 0.00 5.99 4.41 49 K C C 147.32 2.59 9.46 13.99 115.12 -144.26 -95.86 135.14 87.38 10.14 2.49 67.52 14.77 4.10 1.05 1.51 0.00 4.86 6.20 50 G C C 37.08 4.93 8.82 15.49 125.83 -124.04 -99.19 172.79 95.22 2.73 2.05 70.47 21.08 3.35 0.71 1.37 0.00 1.32 1.70 51 P C T 113.75 1.59 10.54 12.73 96.35 -75.37 -66.32 -22.34 80.56 1.30 18.14 21.66 12.08 46.71 2.66 15.56 0.00 0.71 0.62 52 N C T 120.32 1.88 9.28 12.18 100.23 51.33 -88.58 7.69 78.26 1.54 20.20 20.72 11.95 45.83 3.40 16.46 0.01 0.80 0.82 53 A C C 71.50 4.57 7.43 13.72 104.22 112.07 -79.85 31.55 74.23 2.70 23.07 36.93 15.16 22.33 3.85 19.04 0.01 1.27 1.41 54 N C C 124.94 1.74 8.75 11.87 105.72 75.54 -91.88 50.88 86.42 1.97 11.61 61.50 5.21 20.53 3.34 7.29 0.00 1.07 1.06 55 S C C 80.32 3.22 9.94 14.91 109.10 116.62 -88.01 111.89 99.48 0.29 0.23 98.48 0.62 0.49 0.10 0.06 0.00 0.16 0.09