# 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 H C C 135.08 3.63 11.52 16.94 116.23 -173.93 -104.24 132.86 99.22 0.53 0.25 98.54 0.46 0.36 0.16 0.04 0.00 0.31 0.13 1 G C C 48.53 3.17 10.57 15.29 120.16 63.20 105.10 -173.93 86.90 1.97 11.12 75.23 4.01 7.88 7.67 3.04 0.00 1.00 1.17 2 S C C 80.97 2.46 9.39 13.24 113.32 -68.02 -90.86 138.78 62.49 3.23 34.29 37.77 12.08 12.99 19.84 14.03 0.04 1.59 1.66 3 L H G 117.66 3.44 8.75 13.77 98.54 -128.22 -76.25 -16.10 42.22 3.61 54.18 18.66 9.78 14.75 26.29 27.06 0.13 2.03 1.30 4 A H G 73.95 3.33 9.88 14.76 98.83 72.53 -74.30 -14.69 38.65 3.61 57.73 16.58 8.24 14.29 28.59 28.89 0.12 2.18 1.10 5 R H H 159.75 2.33 11.11 14.41 100.37 56.09 -88.48 7.95 44.88 3.86 51.26 20.90 9.78 14.88 25.43 25.23 0.13 2.07 1.57 6 A C T 67.26 4.76 8.35 14.92 106.07 104.31 -77.70 90.63 55.34 2.67 41.99 14.25 10.54 29.53 22.69 19.59 0.31 1.35 1.74 7 G C T 55.55 2.16 11.79 14.85 101.59 9.95 60.36 -8.04 63.54 2.13 34.34 14.78 11.95 36.08 16.26 18.36 0.14 1.12 1.31 8 K C C 148.84 1.96 10.88 13.90 102.49 61.24 -87.68 1.71 64.99 6.80 28.22 34.88 13.57 16.86 12.67 15.10 0.13 3.42 3.36 9 V C C 84.31 5.68 6.97 14.30 112.77 90.97 -94.87 124.02 71.90 13.24 14.87 47.53 14.92 7.98 9.57 5.49 0.09 5.42 9.01 10 R C T 186.66 1.19 9.61 11.76 110.72 -134.37 -77.48 129.51 82.49 6.04 11.47 17.74 11.10 53.51 5.59 5.49 0.05 3.47 3.04 11 G C T 64.62 0.85 10.28 11.15 99.37 10.85 78.74 2.57 90.67 1.40 7.93 11.63 16.02 63.19 2.52 5.13 0.00 0.87 0.63 12 Q C C 129.99 2.26 8.59 12.57 110.66 107.19 -92.85 105.21 91.12 3.25 5.63 54.43 26.67 9.80 1.97 3.49 0.00 1.31 2.34 13 T C C 97.55 2.90 8.38 13.25 116.54 -129.51 -98.76 130.89 95.51 3.07 1.42 73.22 21.05 0.95 1.08 0.42 0.00 1.24 2.04 14 P C C 85.69 4.49 8.77 15.24 114.44 -108.78 -68.23 149.53 91.88 2.05 6.07 78.11 8.35 5.19 4.42 1.80 0.00 1.22 0.92 15 K C C 165.57 1.17 10.75 12.83 113.85 -115.48 -83.72 133.17 85.97 6.91 7.13 71.88 8.73 4.27 5.41 1.92 0.00 3.33 4.46 16 V C C 94.35 5.30 6.53 13.57 117.40 -150.50 -98.91 135.08 83.67 5.19 11.14 74.88 6.31 2.10 9.53 1.83 0.00 2.78 2.56 17 A C C 76.25 1.93 9.37 12.45 114.31 -116.66 -75.01 149.31 82.46 2.15 15.39 76.15 3.89 2.72 12.78 2.42 0.00 1.27 0.76 18 K C C 165.42 1.18 8.53 10.72 105.91 -112.31 -73.77 118.38 59.74 1.92 38.34 43.14 9.63 7.34 30.76 7.36 0.01 1.08 0.68 19 Q C C 132.67 1.92 7.70 11.12 110.66 67.31 -90.76 123.80 55.13 1.88 42.99 39.62 8.72 7.39 33.95 8.60 0.01 1.06 0.66 20 E C C 135.70 2.35 8.01 11.93 108.66 -132.67 -84.85 113.35 52.60 1.76 45.63 39.86 6.98 6.49 35.89 9.15 0.01 1.00 0.61 21 K C C 145.82 2.36 7.80 11.81 108.97 -145.12 -87.30 114.29 57.14 1.44 41.42 42.71 7.51 7.32 34.70 6.42 0.01 0.75 0.59 22 K C C 150.94 1.94 7.92 11.36 110.86 -160.22 -90.99 123.23 65.27 1.46 33.28 48.54 8.36 7.95 28.58 5.16 0.01 0.72 0.68 23 K C C 150.09 2.06 8.04 11.77 113.07 -148.12 -90.07 132.42 73.94 1.66 24.40 53.60 11.61 7.79 21.64 3.73 0.01 0.79 0.84 24 K C C 153.17 1.79 8.58 11.91 113.46 -133.50 -90.22 132.54 81.36 2.03 16.61 63.07 10.61 6.63 14.81 2.85 0.00 1.02 1.01 25 K C C 142.24 2.94 7.86 12.78 113.75 -136.47 -88.89 131.09 84.37 2.78 12.85 66.57 11.33 5.23 11.95 2.08 0.00 1.35 1.49 26 T C C 94.72 2.01 8.62 12.08 118.76 -169.91 -110.25 152.45 83.99 2.67 13.35 65.45 12.76 4.46 12.97 1.68 0.00 1.20 1.46 27 G H H 51.42 1.40 11.70 13.05 106.90 1.16 25.09 -112.70 37.10 0.97 61.93 20.75 11.48 6.83 57.81 2.29 0.02 0.37 0.44 28 R H H 162.50 1.29 11.28 12.61 94.27 8.92 -67.11 -36.46 12.43 0.34 87.22 6.60 2.55 4.66 83.57 2.29 0.02 0.18 0.12 29 A H H 52.88 3.40 10.28 15.45 92.52 54.61 -64.69 -39.33 6.91 0.38 92.71 4.07 1.25 2.62 89.39 2.28 0.02 0.26 0.10 30 K H H 119.25 2.19 12.36 15.26 92.14 51.98 -64.81 -40.05 2.80 0.20 97.00 1.36 0.52 1.22 95.08 1.61 0.01 0.16 0.04 31 R H H 141.44 1.40 13.47 14.52 92.11 50.70 -65.01 -40.89 2.36 0.20 97.44 0.88 0.37 1.26 95.89 1.40 0.02 0.15 0.04 32 R H H 133.63 1.97 12.93 15.34 92.46 50.45 -65.52 -40.39 3.00 0.22 96.78 0.97 0.40 1.80 94.95 1.63 0.02 0.18 0.05 33 M H H 95.58 3.11 11.89 16.27 92.84 50.78 -65.89 -39.99 5.71 0.17 94.12 1.43 0.68 3.72 91.93 2.03 0.04 0.12 0.05 34 Q H H 113.72 1.71 12.55 14.53 93.26 51.80 -65.87 -39.13 13.83 0.25 85.92 2.48 1.44 9.98 83.51 2.26 0.08 0.13 0.12 35 Y H H 146.97 1.59 11.94 13.70 94.02 49.99 -69.92 -37.36 29.66 0.54 69.79 6.02 3.99 20.22 66.05 3.01 0.16 0.24 0.31 36 N H H 92.60 2.95 10.81 15.08 96.43 52.26 -77.42 -24.69 38.98 1.18 59.84 15.79 5.72 18.88 51.72 6.64 0.09 0.60 0.57 37 R H H 147.10 2.78 10.65 14.81 95.20 68.20 -67.56 -25.06 32.09 1.54 66.36 11.17 4.48 15.78 44.18 22.81 0.08 0.96 0.53 38 R H H 157.34 1.89 10.82 13.68 96.12 61.85 -72.42 -25.56 33.41 2.37 64.22 9.57 4.69 17.82 41.57 23.94 0.12 1.63 0.65 39 F H H 138.41 2.47 10.10 13.80 100.49 50.71 -87.20 -11.35 33.25 6.75 60.00 12.20 5.75 14.98 39.37 21.04 0.26 4.95 1.46 40 V C H 99.69 3.26 9.35 14.23 104.44 71.37 -84.48 6.29 43.90 12.28 43.82 17.35 9.51 18.04 32.61 10.44 0.61 8.60 2.83 41 N C T 118.41 1.90 10.53 13.38 102.36 54.78 -91.89 11.17 61.50 10.05 28.45 25.11 11.14 25.64 20.77 7.58 0.20 7.65 1.91 42 V C C 104.60 2.87 9.16 13.73 111.57 95.67 -94.47 113.83 70.24 12.26 17.51 43.27 17.91 9.18 13.50 4.36 0.10 7.74 3.93 43 V C C 102.06 2.89 8.68 13.42 116.67 -147.68 -102.84 127.29 85.95 9.45 4.59 63.12 20.54 2.21 3.48 1.40 0.00 5.94 3.30 44 P C C 98.21 2.81 9.06 13.80 113.08 -116.36 -70.58 144.24 86.52 5.27 8.21 70.22 8.60 7.46 3.89 4.28 0.00 3.93 1.61 45 T C C 104.75 2.23 7.97 11.99 113.96 -154.12 -101.69 127.25 84.21 5.37 10.42 54.09 15.06 14.85 3.91 6.57 0.01 2.89 2.61 46 F C C 171.14 1.23 7.87 10.20 110.54 -117.46 -92.22 116.21 85.07 4.66 10.27 34.46 20.79 30.82 2.80 6.74 0.01 2.40 1.99 47 G C C 57.63 1.71 9.09 11.97 110.28 10.92 89.90 -3.14 88.44 4.21 7.35 33.24 26.50 29.37 1.50 5.59 0.00 2.27 1.52 48 K C C 160.15 1.53 9.60 12.34 111.31 -83.87 -92.63 117.78 85.70 7.64 6.67 52.72 22.78 10.18 1.79 4.87 0.01 4.31 3.34 49 K C C 144.13 2.75 8.76 13.50 115.82 -146.20 -92.77 134.90 85.81 10.36 3.84 66.62 12.31 6.22 1.29 2.66 0.00 6.33 4.57 50 K C C 145.69 2.79 9.61 14.38 115.35 -143.80 -94.57 135.14 87.34 10.47 2.20 68.29 14.30 3.70 0.93 1.34 0.00 5.07 6.38 51 G C C 35.80 5.21 8.93 15.86 125.79 -122.35 -99.10 173.78 95.34 2.73 1.93 70.72 21.05 3.26 0.66 1.31 0.00 1.32 1.69 52 P C T 113.38 1.62 10.74 12.94 95.92 -73.99 -65.93 -22.77 80.60 1.25 18.15 21.19 11.86 47.36 2.64 15.66 0.00 0.68 0.60 53 N C T 119.13 1.98 9.50 12.50 99.85 51.41 -88.32 5.57 78.48 1.51 20.02 20.58 11.67 46.42 3.38 16.35 0.01 0.79 0.80 54 A C C 69.33 5.01 7.52 14.19 103.90 109.53 -79.58 34.85 74.21 2.66 23.13 37.31 14.99 22.06 3.83 19.15 0.01 1.25 1.40 55 N C C 124.57 1.80 8.96 12.14 105.56 76.65 -91.95 49.00 86.65 1.89 11.46 61.43 5.30 20.68 3.26 7.27 0.00 1.03 1.03 56 S C C 79.52 3.35 10.01 15.14 109.44 116.01 -88.66 114.13 99.47 0.30 0.23 98.44 0.64 0.50 0.10 0.06 0.00 0.17 0.09