# 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 136.99 3.38 11.37 16.52 116.15 -172.19 -104.35 131.85 99.28 0.49 0.23 98.60 0.46 0.36 0.14 0.04 0.00 0.28 0.12 1 G C C 48.77 3.14 10.37 15.07 119.65 59.21 108.15 -175.13 87.28 2.20 10.52 75.13 4.19 8.07 7.20 3.02 0.00 1.12 1.28 2 S C C 80.12 2.55 9.14 13.17 114.53 -71.73 -94.46 140.14 65.99 3.59 30.42 41.84 11.92 12.15 17.53 12.90 0.03 1.81 1.82 3 L H G 118.96 3.29 8.67 13.61 99.78 -132.44 -78.51 -12.53 44.21 3.87 51.92 20.35 10.27 14.46 24.65 26.58 0.12 2.19 1.37 4 A H G 74.85 3.26 9.64 14.48 100.18 80.02 -75.52 -4.86 41.15 4.20 54.65 18.42 8.90 14.37 26.57 27.79 0.13 2.58 1.24 5 R H H 159.37 2.49 10.70 14.32 101.35 58.74 -88.96 15.19 46.27 4.59 49.14 24.19 9.74 12.98 24.69 24.04 0.11 2.62 1.63 6 V C H 93.91 4.28 8.35 14.47 106.93 107.82 -82.68 93.82 51.74 4.12 44.14 16.82 10.45 24.25 26.13 17.59 0.50 2.19 2.07 7 G C T 55.87 2.05 11.36 14.32 103.78 10.74 61.07 -11.76 59.90 3.35 36.75 16.34 11.98 31.05 20.57 16.37 0.31 1.87 1.51 8 K C C 148.78 1.92 10.56 13.53 105.68 58.59 -88.03 30.46 59.44 9.38 31.18 31.82 12.28 15.83 17.55 13.41 0.25 5.67 3.19 9 V C C 84.52 5.41 6.71 13.83 113.77 94.30 -95.14 123.76 61.26 18.11 20.62 40.76 12.47 7.32 15.57 5.43 0.23 9.03 9.19 10 R C T 183.68 1.24 9.24 11.44 111.38 -139.18 -85.88 126.76 68.75 10.40 20.85 19.92 10.53 37.65 13.98 7.05 0.28 6.27 4.33 11 G C T 63.06 0.97 10.01 11.07 102.88 9.13 72.13 -1.81 80.41 1.65 17.94 12.56 14.30 53.32 10.00 7.93 0.05 0.96 0.87 12 Q C C 139.61 1.75 8.46 11.59 104.83 58.23 -89.83 23.29 76.84 4.10 19.06 32.43 23.58 21.52 10.81 7.63 0.06 2.03 1.94 13 T C C 101.66 2.09 8.77 12.43 114.64 97.63 -97.36 127.77 77.68 9.00 13.33 52.05 19.89 5.38 10.69 3.22 0.03 4.52 4.23 14 L C C 103.56 4.49 8.18 14.55 113.83 -128.43 -81.23 140.60 77.76 7.91 14.33 65.53 7.29 4.26 12.00 2.94 0.01 5.69 2.29 15 K C C 157.00 1.58 10.52 13.35 115.02 -132.94 -91.06 130.40 75.34 10.90 13.75 63.19 7.51 3.57 12.31 2.41 0.01 6.92 4.09 16 V C C 90.90 5.37 7.22 14.29 117.35 -156.66 -99.79 135.93 73.00 6.79 20.21 64.24 5.41 2.82 18.87 2.21 0.00 4.31 2.14 17 A C C 73.19 2.39 9.85 13.43 113.16 -118.31 -75.57 148.17 71.57 2.83 25.60 62.88 4.64 3.64 23.48 2.77 0.00 1.86 0.73 18 K C C 158.62 1.49 8.84 11.49 105.08 -116.01 -76.81 113.17 53.01 2.11 44.88 38.62 8.13 6.76 38.30 6.30 0.01 1.26 0.63 19 Q H H 128.22 2.13 8.24 11.81 108.31 58.29 -86.05 115.63 48.31 1.81 49.88 34.83 7.52 6.87 41.84 7.30 0.01 1.07 0.57 20 E H H 131.57 2.52 8.39 12.43 106.42 -139.33 -83.57 100.39 46.63 1.62 51.75 34.59 6.55 6.50 43.36 7.53 0.01 0.93 0.53 21 K C H 141.71 2.57 8.08 12.25 107.55 64.73 -86.03 90.05 50.73 1.29 47.98 37.10 6.99 7.25 41.93 5.55 0.01 0.67 0.50 22 K C C 149.19 1.95 8.34 11.69 108.18 138.02 -89.07 103.58 57.69 1.26 41.05 41.62 7.71 8.11 36.74 4.65 0.01 0.61 0.55 23 K C C 146.80 2.25 8.20 12.09 110.84 139.41 -89.48 124.12 65.17 1.42 33.41 45.60 10.14 8.46 30.59 3.86 0.01 0.66 0.67 24 K C C 148.94 1.98 8.78 12.32 112.61 -140.98 -91.45 130.26 74.14 1.81 24.05 55.15 9.80 7.70 22.49 3.11 0.00 0.89 0.86 25 R C C 159.89 2.87 8.27 13.02 112.68 -141.44 -88.82 127.75 78.55 2.55 18.90 59.76 10.79 6.31 18.26 2.37 0.00 1.25 1.26 26 T C C 92.12 2.30 8.79 12.59 116.35 -168.88 -104.58 150.99 78.57 2.38 19.05 59.92 11.78 5.23 18.97 1.78 0.00 1.10 1.22 27 G H H 49.90 1.65 11.65 13.46 106.99 0.29 -8.44 -104.11 40.58 1.03 58.40 24.32 10.76 6.85 54.77 2.40 0.02 0.42 0.46 28 R H H 160.03 1.39 11.30 12.80 94.64 19.90 -67.37 -35.85 14.77 0.47 84.76 8.83 2.93 4.72 80.55 2.53 0.02 0.25 0.16 29 A H H 54.54 3.27 10.45 15.39 92.92 54.63 -65.08 -39.19 8.63 0.52 90.85 5.45 1.51 2.91 86.95 2.64 0.03 0.36 0.13 30 K H H 120.94 2.12 12.33 15.09 92.76 51.91 -65.07 -39.86 3.83 0.32 95.85 1.96 0.73 1.61 93.19 2.18 0.02 0.25 0.06 31 R H H 141.95 1.45 13.22 14.45 92.33 50.75 -65.20 -40.57 3.46 0.31 96.23 1.37 0.59 1.81 93.81 2.09 0.03 0.24 0.07 32 R H H 135.24 1.99 12.63 15.14 92.60 50.56 -65.81 -40.09 4.59 0.36 95.05 1.62 0.68 2.65 92.20 2.43 0.05 0.28 0.09 33 M H H 98.31 3.05 11.68 15.96 93.76 50.87 -66.95 -38.77 8.75 0.28 90.98 2.41 1.14 5.46 87.95 2.69 0.07 0.18 0.11 34 Q H H 115.35 1.75 12.30 14.40 94.01 52.30 -66.47 -37.74 18.98 0.38 80.64 4.05 2.16 13.02 77.60 2.66 0.10 0.20 0.20 35 Y H H 147.31 1.71 11.62 13.68 95.44 50.59 -74.07 -34.13 36.13 0.86 63.01 9.68 5.63 21.78 58.65 3.28 0.15 0.37 0.47 36 N H H 91.99 3.12 10.55 15.08 98.77 53.64 -80.74 -15.20 43.96 1.50 54.54 20.80 6.52 18.11 46.34 6.70 0.06 0.77 0.71 37 R H H 147.12 2.89 10.47 14.77 95.54 72.70 -67.95 -24.97 35.71 1.67 62.62 13.32 5.12 16.83 41.48 21.54 0.07 1.03 0.60 38 R H H 156.90 1.97 10.72 13.75 95.54 64.52 -73.10 -25.22 36.08 2.51 61.41 11.01 5.29 18.63 39.50 23.03 0.13 1.70 0.72 39 F H H 138.39 2.55 10.03 13.84 100.41 52.15 -86.60 -12.14 35.38 7.10 57.52 13.41 6.36 15.44 37.91 19.91 0.28 5.02 1.66 40 V C H 100.17 3.24 9.36 14.21 104.33 68.76 -83.86 10.16 45.79 11.95 42.26 18.87 10.02 18.13 31.76 9.56 0.54 8.26 2.85 41 N C C 118.31 1.90 10.46 13.34 103.71 53.77 -92.02 26.01 63.66 9.55 26.79 27.26 11.67 25.07 19.90 6.84 0.14 7.26 1.85 42 V C C 103.84 3.00 8.90 13.68 111.93 107.81 -94.09 114.26 72.25 11.83 15.93 46.05 18.12 7.89 12.59 3.83 0.06 7.46 3.99 43 V C C 102.99 2.64 8.69 13.15 116.80 -156.05 -103.89 129.19 85.11 9.66 5.22 63.71 19.00 2.23 4.06 1.48 0.00 6.13 3.37 44 P C C 98.69 2.73 8.80 13.48 113.44 -115.35 -70.10 144.93 84.78 5.81 9.40 69.46 8.14 6.84 4.77 4.66 0.00 4.33 1.80 45 T C C 105.25 2.11 7.79 11.62 113.47 -156.54 -101.03 126.09 82.53 5.18 12.29 52.21 14.99 15.08 4.71 7.69 0.01 2.73 2.58 46 F C T 173.75 1.07 7.82 9.78 109.32 -87.85 -88.37 109.50 84.03 4.14 11.83 29.42 21.00 34.53 3.26 7.79 0.01 2.14 1.85 47 G C T 58.73 1.53 8.99 11.59 108.73 3.35 89.34 -1.20 88.11 3.69 8.20 30.07 26.38 32.30 1.67 6.22 0.00 1.97 1.38 48 K C C 158.44 1.59 9.41 12.28 111.42 -28.66 -92.28 118.98 86.00 7.24 6.77 53.94 21.96 10.01 1.85 4.91 0.01 4.03 3.30 49 K C C 143.64 2.77 8.75 13.50 116.61 -145.14 -93.39 134.34 86.00 10.32 3.68 67.55 11.88 5.89 1.28 2.49 0.00 6.29 4.61 50 K C C 145.44 2.78 9.55 14.30 115.88 -141.78 -95.08 137.05 87.09 10.77 2.14 68.22 14.30 3.53 0.91 1.29 0.00 5.20 6.53 51 G C C 36.50 5.03 8.91 15.66 126.25 -120.64 -94.61 173.74 95.20 2.88 1.92 69.64 22.03 3.22 0.67 1.27 0.00 1.39 1.78 52 P C T 113.16 1.61 10.68 12.86 96.36 -73.74 -66.21 -22.96 80.10 1.32 18.58 21.52 12.00 46.47 2.71 15.95 0.00 0.72 0.62 53 N C T 119.18 1.95 9.36 12.35 100.02 51.51 -87.50 6.28 77.84 1.49 20.67 20.70 11.71 45.64 3.52 16.83 0.01 0.77 0.79 54 A C C 70.59 4.75 7.52 13.94 102.95 110.88 -79.30 18.49 73.61 2.53 23.86 35.69 14.86 23.38 3.98 19.55 0.01 1.19 1.34 55 N C C 124.35 1.80 8.84 12.02 104.92 70.58 -91.10 41.55 85.91 1.82 12.27 59.64 5.47 21.62 3.49 7.80 0.00 0.98 0.99 56 S C C 79.15 3.36 9.98 15.11 109.11 126.69 -86.93 112.00 99.47 0.29 0.25 98.43 0.64 0.51 0.11 0.06 0.00 0.16 0.09