# 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 A C C 77.62 4.09 9.92 15.74 114.38 -132.50 -85.62 138.23 99.79 0.18 0.03 99.70 0.12 0.05 0.01 0.00 0.00 0.09 0.02 1 V C C 112.28 2.54 7.64 12.05 115.59 -146.79 -96.98 131.12 86.83 7.76 5.41 83.69 1.51 2.15 3.19 1.55 0.00 4.64 3.27 2 Q C C 139.96 1.74 7.12 10.56 113.65 -132.34 -87.91 132.45 81.64 9.74 8.62 67.25 7.99 6.13 3.72 4.78 0.00 6.91 3.22 3 Q C C 143.11 1.65 7.51 10.76 112.97 -141.26 -89.90 126.16 84.03 7.49 8.48 60.49 13.32 10.21 2.98 5.41 0.00 5.43 2.16 4 N C C 123.97 2.00 8.17 11.71 112.91 -149.55 -95.46 128.35 84.18 8.77 7.05 56.06 18.37 9.87 2.43 4.59 0.01 5.63 3.04 5 K C C 140.20 2.72 8.66 13.42 118.25 -148.48 -98.19 137.76 90.62 7.58 1.80 66.28 23.13 1.75 1.13 0.70 0.00 4.22 2.78 6 P C C 81.00 4.88 8.62 15.54 114.93 -110.02 -68.72 148.49 91.30 5.36 3.34 82.65 6.45 2.02 2.61 0.87 0.00 2.95 2.44 7 T C C 75.35 3.19 10.12 14.90 117.01 -113.49 -77.20 159.82 90.15 3.03 6.82 81.63 6.19 1.81 6.37 0.94 0.00 1.16 1.90 8 R H H 181.98 1.20 10.22 12.25 92.51 -107.11 -60.05 -35.17 30.29 0.80 68.91 8.82 6.38 15.89 56.60 11.43 0.11 0.44 0.33 9 S H H 80.99 1.16 10.78 12.07 92.88 55.08 -67.18 -35.62 30.12 1.06 68.82 7.92 5.52 17.15 55.92 12.35 0.11 0.69 0.34 10 K H H 117.25 3.12 10.43 14.88 94.52 50.02 -72.75 -26.64 25.06 1.73 73.21 11.10 5.35 9.94 57.54 14.37 0.09 1.12 0.49 11 R H H 134.07 3.51 10.49 15.65 94.03 65.22 -66.69 -38.88 22.59 1.24 76.17 7.82 3.93 11.84 66.80 8.32 0.11 0.80 0.37 12 G H H 49.22 1.66 12.29 14.23 94.19 47.74 -65.90 -30.96 31.11 0.90 67.99 8.44 4.53 18.60 59.92 7.52 0.11 0.58 0.31 13 M H H 116.97 2.45 11.52 14.90 96.02 58.15 -75.87 -26.19 33.29 1.91 64.81 17.81 6.62 10.67 56.35 6.74 0.06 1.14 0.59 14 R H H 139.61 4.11 10.53 16.20 101.69 69.88 -77.22 -15.12 37.18 4.70 58.12 22.67 7.02 9.78 50.71 5.50 0.08 2.78 1.47 15 R H H 156.09 2.44 11.90 15.31 100.43 67.00 -80.50 -9.06 46.30 3.91 49.78 29.65 7.65 10.45 43.88 4.80 0.05 2.19 1.33 16 S C H 68.24 3.19 11.28 15.69 106.17 66.41 -83.59 47.51 49.83 1.90 48.27 31.90 8.84 10.33 41.62 5.59 0.03 0.97 0.72 17 H H H 122.77 4.08 10.77 16.25 98.80 58.61 -73.68 -23.52 41.19 1.49 57.32 18.74 8.70 15.23 45.04 10.79 0.08 0.82 0.60 18 D H H 101.34 2.51 12.17 15.69 96.45 62.89 -72.68 -24.72 41.94 1.36 56.70 18.12 8.45 16.43 43.97 11.67 0.08 0.72 0.57 19 A H H 67.05 3.52 11.42 16.27 95.13 65.55 -71.86 -26.09 44.27 2.11 53.62 23.81 8.37 13.61 41.51 10.65 0.06 1.18 0.80 20 L C H 91.79 6.28 9.91 17.66 98.40 63.23 -77.74 -18.73 50.19 4.23 45.58 32.86 8.89 10.33 36.57 7.42 0.07 2.32 1.55 21 T C C 92.69 3.71 12.41 17.33 99.70 74.84 -81.46 -13.19 59.38 3.47 37.15 36.05 10.89 12.99 30.94 5.90 0.04 1.92 1.26 22 A C C 75.39 3.19 12.95 17.22 104.73 66.54 -84.59 16.82 71.35 3.11 25.54 40.11 17.87 13.32 20.06 5.71 0.02 1.67 1.22 23 V C C 83.78 6.97 10.86 19.18 111.23 63.81 -90.61 111.56 80.12 4.81 15.07 61.17 10.63 7.98 11.08 4.37 0.01 3.02 1.73 24 T C C 85.62 5.99 12.36 19.74 108.13 75.99 -96.70 54.85 82.95 9.05 8.01 65.16 11.13 6.60 4.83 3.16 0.00 7.23 1.88 25 S C C 69.97 3.96 15.05 20.05 116.34 75.20 -102.65 132.89 73.97 22.13 3.90 58.05 9.29 5.74 1.27 2.40 0.00 21.64 1.61 26 L E E 85.46 10.54 11.40 22.73 119.42 -151.81 -97.27 136.99 47.40 52.25 0.35 43.28 3.08 0.41 0.12 0.22 0.00 51.84 1.05 27 S E E 50.73 5.71 16.37 23.54 132.82 168.84 -132.61 160.77 8.38 91.46 0.16 7.54 0.93 0.17 0.06 0.09 0.00 90.61 0.60 28 V E E 88.07 5.99 14.36 22.03 117.62 -115.53 -99.02 133.72 3.51 96.41 0.08 3.33 0.25 0.03 0.08 0.03 0.00 87.93 8.35 29 D C C 32.29 12.48 8.33 22.08 108.99 -118.61 -75.07 123.34 84.96 15.01 0.03 85.16 0.52 0.08 0.01 0.01 0.00 13.46 0.75 30 K C T 165.12 1.15 13.31 14.72 93.26 -150.54 -68.23 -25.00 99.78 0.09 0.13 0.54 5.00 94.27 0.01 0.10 0.00 0.06 0.01 31 T C T 105.20 1.41 12.38 14.09 98.21 45.53 -78.75 -38.70 99.84 0.03 0.12 0.11 2.67 97.13 0.00 0.07 0.00 0.01 0.01 32 S C T 59.03 4.00 11.25 16.84 101.37 23.15 -104.43 -15.77 99.82 0.07 0.11 0.62 4.16 95.07 0.00 0.09 0.00 0.04 0.01 33 G C C 50.44 2.90 12.52 16.93 95.31 -121.97 79.61 7.04 99.26 0.69 0.06 86.86 8.18 4.24 0.01 0.05 0.00 0.38 0.29 34 E C C 90.75 4.54 12.94 19.49 119.45 139.01 -81.04 148.43 94.63 5.36 0.01 91.97 2.81 0.08 0.00 0.01 0.00 4.85 0.27 35 K E E 124.51 5.03 15.90 22.47 115.81 -114.91 -83.93 136.01 2.60 97.39 0.01 2.63 0.12 0.01 0.00 0.00 0.00 95.45 1.79 36 H E E 43.69 14.03 11.74 26.58 131.81 175.07 -133.53 156.04 2.78 97.22 0.00 2.74 0.09 0.00 0.00 0.00 0.00 96.46 0.71 37 L E E 74.69 5.69 18.01 24.63 116.81 -104.10 -73.76 149.46 42.98 56.53 0.49 38.21 2.39 1.07 0.04 0.57 0.00 56.59 1.12 38 R C T 112.74 10.05 15.14 25.77 107.49 -90.65 -62.06 137.08 93.65 4.16 2.19 6.42 17.59 69.36 0.12 2.39 0.00 3.65 0.47 39 H C T 113.28 7.53 17.25 25.42 94.73 17.85 71.56 10.96 94.06 3.86 2.07 8.14 18.16 67.25 0.11 2.44 0.00 3.52 0.39 40 H C C 78.75 8.04 17.32 26.64 126.48 103.94 -113.48 148.26 62.75 36.07 1.18 40.80 20.00 3.65 0.22 1.17 0.00 29.76 4.39 41 I E E 64.50 11.24 14.72 27.14 117.46 -128.59 -96.40 134.89 32.68 67.11 0.21 28.43 2.34 0.28 0.13 0.11 0.00 40.21 28.50 42 T C C 30.84 10.36 13.34 25.54 123.72 -138.86 -86.72 166.75 72.96 26.86 0.18 69.89 2.33 0.42 0.06 0.12 0.00 22.48 4.68 43 A C T 83.27 3.65 14.72 19.60 90.83 -102.67 -62.70 -24.57 95.47 3.63 0.89 2.71 12.80 80.08 0.07 0.88 0.00 3.00 0.45 44 D C T 102.00 2.34 15.63 18.30 94.26 53.54 -90.23 -1.15 97.12 1.93 0.95 2.19 13.58 81.47 0.06 0.95 0.00 1.50 0.24 45 G C S 20.76 10.64 13.55 25.39 105.82 -101.03 94.79 4.68 70.91 27.58 1.51 32.04 35.80 4.81 0.32 1.32 0.01 22.26 3.44 46 Y E E 87.98 7.96 14.58 24.15 122.64 124.79 -104.94 146.29 38.20 61.08 0.71 31.63 4.12 1.02 0.37 0.40 0.00 47.67 14.78 47 Y E E 78.52 11.32 11.40 23.99 118.81 -158.13 -122.85 123.57 40.43 58.19 1.38 30.99 6.16 2.64 0.71 0.87 0.02 45.51 13.10 48 R C T 167.48 3.36 14.05 18.74 95.70 -25.93 51.49 45.21 85.79 10.94 3.27 8.22 9.75 68.22 0.69 2.45 0.01 9.18 1.48 49 G C T 60.80 1.77 13.13 15.51 95.43 -48.28 79.62 1.94 93.13 3.54 3.33 6.81 13.81 72.52 0.51 2.88 0.00 2.97 0.50 50 R C E 139.00 3.26 12.14 17.30 122.36 110.75 -107.28 143.44 53.77 42.27 3.96 30.08 18.79 7.56 1.51 2.63 0.11 34.34 4.99 51 K E E 133.98 4.09 13.15 18.91 111.03 -110.96 -74.29 130.12 33.74 64.71 1.55 28.74 2.70 1.05 0.99 0.77 0.00 57.16 8.58 52 V C E 67.53 9.94 10.48 21.28 102.57 -165.63 -92.27 -15.81 52.69 44.69 2.62 39.58 10.62 3.13 1.28 1.41 0.01 41.49 2.50 53 I C C 94.67 6.42 9.94 17.79 117.22 49.49 -107.26 125.80 54.53 42.24 3.23 38.79 12.10 4.57 1.47 1.84 0.02 37.76 3.44 54 A C C 79.54 3.02 9.76 14.59 114.77 -147.99 -93.70 132.63 75.39 22.99 1.63 70.14 2.41 2.18 0.61 0.83 0.00 22.05 1.78 55 K C C 155.36 2.57 11.76 15.95 108.03 -111.07 -78.82 120.72 99.57 0.40 0.03 99.38 0.21 0.09 0.01 0.01 0.00 0.28 0.03