# 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 S C C 87.75 2.07 11.04 14.40 116.55 -157.72 -100.90 139.19 99.52 0.46 0.02 99.46 0.16 0.05 0.01 0.00 0.00 0.26 0.06 1 A C C 84.78 2.79 7.25 12.03 116.89 -152.89 -100.15 137.74 86.34 12.40 1.26 82.93 1.81 1.86 0.61 0.42 0.00 6.78 5.59 2 T C C 104.24 1.66 7.80 11.12 117.67 -155.93 -102.72 133.79 88.45 10.51 1.04 69.92 16.38 2.02 0.49 0.59 0.00 7.59 3.01 3 P C C 108.91 2.03 7.52 11.35 112.97 -108.87 -70.09 144.95 84.00 9.75 6.24 62.42 11.08 10.17 2.22 4.03 0.01 6.61 3.46 4 L C C 133.37 1.84 6.61 10.18 111.81 -127.74 -89.91 127.68 84.77 6.41 8.82 57.84 12.07 14.88 2.85 5.87 0.01 3.99 2.50 5 S C C 92.93 1.29 7.86 10.40 115.61 -161.40 -100.52 133.71 85.12 4.75 10.12 55.90 13.41 16.01 3.28 6.70 0.01 2.82 1.87 6 G C C 58.15 1.83 7.18 10.68 115.22 -159.59 -101.30 139.64 85.58 3.37 11.05 52.78 19.31 13.85 3.49 7.28 0.00 1.87 1.42 7 K C C 166.48 1.12 8.17 10.19 111.84 -131.22 -92.20 126.43 88.53 2.95 8.52 62.83 18.93 6.81 3.52 4.93 0.00 1.64 1.35 8 A C C 89.02 1.83 6.79 10.46 115.64 -138.89 -88.56 135.69 90.02 3.41 6.57 73.86 12.39 3.70 3.26 3.27 0.00 1.97 1.55 9 K C C 158.52 1.49 7.47 10.63 115.73 -138.67 -95.91 135.82 91.53 4.60 3.87 82.85 6.63 1.95 2.22 1.62 0.00 2.72 2.01 10 V C C 122.10 1.58 7.25 10.59 115.49 -129.22 -88.80 136.87 89.92 7.48 2.59 84.86 3.54 1.25 1.57 0.88 0.00 3.65 4.23 11 K C C 154.19 2.04 6.66 10.72 115.06 -129.03 -89.42 137.98 92.98 4.48 2.54 85.95 5.06 1.79 1.52 0.93 0.00 2.15 2.60 12 S C C 89.82 1.51 7.50 10.60 115.51 -129.67 -89.46 140.55 93.61 2.88 3.52 83.07 7.68 2.80 1.86 1.57 0.00 1.54 1.48 13 R C C 188.37 1.21 7.67 10.09 108.91 -136.87 -87.53 119.52 92.01 2.75 5.24 70.69 14.51 6.79 2.19 2.99 0.00 1.59 1.23 14 S C C 89.34 1.55 6.93 10.00 114.52 -133.87 -93.49 136.43 91.37 4.03 4.60 68.35 16.79 6.23 1.80 2.73 0.00 2.45 1.64 15 I C C 142.69 1.24 7.24 9.78 111.29 -129.15 -89.95 126.35 89.68 7.14 3.18 69.46 17.10 2.67 1.77 1.44 0.01 3.80 3.75 16 L C C 120.92 2.39 6.84 11.20 117.45 -137.18 -94.43 136.39 93.50 4.70 1.81 76.24 16.20 1.09 1.22 0.65 0.00 2.87 1.72 17 P C C 106.37 1.93 8.40 11.93 112.53 -107.95 -69.44 143.89 89.58 5.11 5.32 82.87 4.36 2.64 2.40 2.64 0.00 3.29 1.81 18 M C C 146.80 1.78 7.43 10.92 110.77 -130.99 -87.69 125.17 77.15 10.15 12.70 61.04 10.57 5.54 4.92 7.88 0.01 6.93 3.11 19 Y C C 174.29 2.03 7.49 11.27 113.50 -156.98 -97.11 128.98 70.44 15.74 13.82 52.84 10.98 6.82 5.08 8.75 0.03 11.89 3.62 20 K C C 159.07 1.46 8.51 11.36 112.05 -139.82 -93.73 122.34 69.88 17.81 12.31 53.58 9.27 6.94 4.83 7.51 0.03 13.33 4.51 21 L C C 115.80 3.48 7.11 12.58 115.73 -149.60 -96.64 132.14 79.35 15.09 5.57 58.42 15.97 3.94 3.19 2.57 0.04 8.57 7.30 22 S C C 69.05 2.84 9.18 13.62 117.46 -129.17 -93.50 141.30 96.36 2.30 1.34 82.66 12.55 1.23 0.87 0.44 0.00 1.27 0.99 23 P C T 105.49 2.16 9.59 13.06 95.62 -115.70 -61.67 -32.23 52.55 1.19 46.26 18.07 7.15 26.75 24.09 22.63 0.03 0.67 0.61 24 A H T 83.99 1.41 10.72 12.57 95.24 57.48 -70.59 -28.78 49.28 1.22 49.49 11.20 7.16 29.63 25.49 25.10 0.09 0.70 0.64 25 N H G 88.75 3.92 9.89 15.28 96.98 55.04 -78.07 -23.70 41.98 2.66 55.36 18.89 8.36 14.99 27.47 27.67 0.08 1.66 0.87 26 A H H 59.93 4.22 9.82 15.74 95.38 70.57 -67.71 -35.03 41.50 2.92 55.58 25.32 7.11 9.26 37.62 17.76 0.05 1.88 0.99 27 S H H 73.99 2.20 11.53 14.42 96.27 58.30 -73.76 -27.40 44.87 3.98 51.15 26.73 6.41 11.41 33.56 17.84 0.10 2.94 1.00 28 R H H 148.17 2.83 10.07 14.26 95.61 61.60 -74.02 -26.71 44.28 5.45 50.27 24.26 7.91 11.96 33.80 16.59 0.19 3.93 1.37 29 L C C 115.92 2.94 9.47 13.83 98.64 57.13 -80.38 -17.27 51.80 7.80 40.40 30.52 9.17 12.29 29.62 10.53 0.22 4.99 2.67 30 V C C 117.04 1.58 9.93 12.18 102.77 52.65 -90.83 -6.72 71.94 6.36 21.70 45.27 12.06 14.08 18.70 3.78 0.03 3.96 2.12 31 T C C 98.21 2.16 9.53 12.94 111.17 69.88 -99.09 93.64 85.96 4.92 9.12 50.76 21.97 12.86 7.29 2.42 0.01 3.08 1.60 32 T C C 99.47 2.54 9.32 13.55 115.73 -130.32 -96.79 128.60 94.68 4.22 1.10 65.41 28.14 1.43 0.69 0.45 0.00 2.52 1.36 33 P C C 88.92 4.69 8.20 14.93 113.86 -111.16 -68.92 146.36 91.30 4.10 4.61 78.24 7.88 5.18 2.23 2.26 0.00 2.98 1.24 34 Q C C 134.91 2.10 9.48 13.23 115.12 -139.47 -91.77 137.33 82.97 10.42 6.60 65.83 10.14 6.30 3.37 3.36 0.00 6.49 4.50 35 K C C 149.46 2.56 8.89 13.29 114.61 -117.93 -88.23 134.03 80.81 12.30 6.88 61.13 12.23 6.87 3.58 3.50 0.01 8.08 4.60 36 R C C 161.39 2.80 8.62 13.32 116.76 -153.68 -100.19 135.25 83.62 9.74 6.65 61.19 12.49 9.77 3.27 3.41 0.01 6.87 3.00 37 A C C 83.84 2.40 9.03 12.94 112.93 -137.51 -90.56 136.70 86.72 7.15 6.13 47.75 20.77 18.68 2.39 3.54 0.01 5.00 1.84 38 Y C C 177.05 2.08 9.83 13.21 110.44 -84.07 -92.85 108.60 86.55 8.09 5.36 40.50 24.75 22.33 1.89 3.17 0.02 5.18 2.16 39 G C C 45.62 3.98 11.79 17.28 120.71 19.21 158.42 171.20 81.48 14.78 3.74 43.92 24.78 14.24 1.32 2.29 0.02 10.41 3.02 40 F C C 124.04 6.05 10.58 18.30 121.28 -83.75 -107.71 139.65 71.59 23.84 4.57 53.96 11.73 5.23 2.38 2.46 0.04 16.75 7.46 41 S C C 61.37 5.89 12.42 19.96 121.41 -159.00 -108.70 145.23 71.63 21.61 6.76 54.52 11.09 5.53 3.97 3.15 0.03 16.62 5.08 42 F C C 125.69 6.79 11.40 19.51 104.28 -150.21 -87.74 20.03 62.89 18.42 18.69 40.91 13.47 9.38 11.14 7.58 0.24 12.82 4.46 43 S C C 68.95 4.97 12.52 18.84 104.82 79.88 -86.31 18.10 65.88 13.51 20.62 42.06 12.45 12.17 11.04 9.39 0.11 9.66 3.12 44 A C C 71.07 4.97 11.41 17.79 103.00 62.00 -90.58 6.26 67.28 11.48 21.24 36.50 15.35 16.77 10.40 10.09 0.21 7.21 3.47 45 Y C C 153.70 3.96 10.59 16.12 108.98 76.59 -90.62 106.47 77.48 9.12 13.40 33.90 18.57 26.32 6.42 6.18 0.14 5.18 3.28 46 G C C 51.71 3.27 11.85 16.46 111.25 10.27 90.78 10.88 90.42 6.88 2.70 47.14 23.64 20.29 0.70 1.94 0.00 3.83 2.46 47 S C C 62.45 4.99 9.64 16.37 119.08 122.24 -101.50 137.24 92.63 6.86 0.51 71.41 19.04 1.83 0.18 0.33 0.00 3.09 4.12 48 P C C 102.45 3.12 10.17 14.90 102.27 -113.62 -69.51 18.27 96.18 2.50 1.32 41.30 22.66 32.41 0.22 1.13 0.00 1.45 0.82 49 T C C 113.34 1.41 10.49 12.60 103.47 51.01 -90.90 23.11 95.21 3.07 1.71 35.01 29.30 31.08 0.28 1.50 0.00 1.65 1.17 50 S C C 63.53 4.43 8.87 15.13 118.14 115.19 -96.53 142.74 94.15 4.29 1.55 61.91 28.80 3.13 0.53 1.01 0.00 1.80 2.83 51 P C C 103.83 2.54 10.18 14.22 109.40 -110.96 -69.50 139.40 89.11 2.83 8.06 56.27 13.71 18.82 1.95 6.29 0.00 1.66 1.29 52 S C C 81.89 3.03 9.18 13.90 109.02 -110.26 -85.34 117.91 83.54 4.86 11.60 47.63 15.21 20.83 3.22 8.24 0.00 2.73 2.13 53 S C C 80.74 3.19 9.50 14.31 109.28 58.13 -89.97 106.72 79.41 6.75 13.84 52.75 14.25 12.24 4.88 8.94 0.01 3.92 3.00 54 S C C 81.79 2.72 9.72 13.94 107.32 57.91 -90.10 64.85 82.25 6.16 11.58 59.63 11.87 10.30 5.03 6.77 0.00 3.81 2.58 55 A C C 84.70 2.55 8.98 13.11 103.40 77.71 -83.31 5.35 80.73 7.28 11.99 52.81 12.79 14.96 4.93 7.05 0.01 4.84 2.60 56 S C C 87.86 2.02 9.93 13.21 106.61 64.63 -92.58 50.97 79.48 9.97 10.55 49.56 14.62 15.46 4.38 5.99 0.02 6.47 3.50 57 S C C 80.34 3.24 9.16 14.10 114.53 121.64 -98.05 131.21 82.75 11.13 6.12 51.44 23.33 8.13 2.68 3.39 0.02 6.30 4.71 58 T C C 96.20 3.03 9.48 14.41 117.84 -142.91 -96.40 138.24 90.69 6.40 2.91 62.61 24.40 3.73 1.48 1.44 0.01 3.62 2.71 59 P C C 100.95 3.33 9.85 14.92 111.40 -106.07 -70.17 144.76 85.90 3.54 10.56 53.97 13.81 18.58 4.92 5.14 0.01 2.09 1.48 60 G C C 52.27 3.17 9.96 14.78 115.73 -134.64 -95.21 162.61 78.80 4.53 16.67 46.39 13.27 19.78 8.59 7.36 0.04 2.46 2.11 61 A C C 85.24 2.62 10.16 14.22 108.51 -111.16 -86.43 110.57 65.81 6.70 27.49 39.76 12.39 13.87 16.48 10.74 0.13 3.71 2.92 62 F C C 150.11 3.08 8.98 13.80 112.10 -131.93 -88.55 128.09 55.31 7.19 37.50 30.87 11.22 14.55 23.66 12.49 0.32 4.13 2.77 63 G C C 51.60 3.52 9.55 14.73 113.12 -148.86 -94.51 129.71 51.01 4.69 44.30 30.24 9.09 12.79 29.02 14.24 0.17 2.84 1.62 64 Q H H 130.10 2.71 9.28 13.70 112.66 -138.98 -93.62 127.65 37.63 4.73 57.64 22.14 6.96 9.58 35.30 21.53 0.13 3.18 1.18 65 S H H 81.39 2.92 8.25 12.96 113.16 -149.74 -92.59 126.87 38.16 6.14 55.70 21.62 6.74 10.51 32.86 22.36 0.15 4.49 1.28 66 I H H 134.29 2.12 7.59 11.39 106.57 -155.36 -88.08 62.21 42.22 9.01 48.77 20.89 8.13 14.21 29.48 18.26 0.50 6.24 2.26 67 L C C 132.32 1.72 7.37 10.71 111.31 70.24 -94.15 116.62 54.80 10.25 34.95 37.26 3.93 14.05 25.69 8.25 0.17 6.35 4.30 68 S C C 81.91 3.20 10.15 15.09 114.60 -159.65 -99.23 135.82 99.25 0.54 0.21 98.80 0.29 0.29 0.15 0.03 0.00 0.39 0.07