# 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 M C C 133.95 3.11 11.30 16.09 113.03 -166.01 -90.88 128.94 99.65 0.33 0.02 99.44 0.23 0.07 0.01 0.00 0.00 0.20 0.04 1 G C C 48.63 3.46 9.92 15.21 122.57 -138.33 -112.03 172.47 92.37 7.41 0.22 90.18 1.70 0.88 0.07 0.13 0.00 5.65 1.39 2 K C C 160.91 1.56 10.96 13.56 114.40 -87.12 -88.16 134.45 79.80 19.76 0.44 67.48 9.93 1.85 0.15 0.34 0.00 14.80 5.45 3 V C C 96.23 5.84 7.94 15.56 116.54 -135.38 -99.34 131.55 76.19 23.26 0.55 69.19 5.22 1.27 0.21 0.37 0.00 16.85 6.89 4 H C C 140.37 2.64 11.07 15.07 113.09 -160.32 -101.62 133.83 78.23 20.38 1.39 50.74 17.30 10.76 0.43 1.06 0.01 15.72 3.98 5 G C S 45.68 3.49 13.33 17.75 116.55 7.34 105.35 -160.59 91.12 7.29 1.59 23.57 50.63 17.46 0.36 1.14 0.00 5.03 1.80 6 S C C 55.27 4.57 13.30 19.22 121.35 -42.73 -101.44 153.23 91.61 5.69 2.70 68.51 20.65 1.45 1.97 0.73 0.00 1.78 4.89 7 L H H 86.74 7.64 11.24 20.41 92.95 -116.02 -61.83 -33.45 28.50 0.51 70.99 3.82 4.42 18.81 38.46 33.83 0.12 0.28 0.26 8 A H H 63.07 4.26 12.98 18.65 91.92 59.09 -64.99 -36.22 21.85 0.41 77.74 1.86 2.13 15.86 41.81 37.84 0.09 0.28 0.11 9 R H H 154.03 2.26 13.85 16.74 92.99 52.03 -73.18 -25.63 18.63 0.55 80.82 2.20 2.21 12.24 45.00 37.61 0.20 0.36 0.16 10 A H H 54.33 6.67 10.36 18.58 95.34 60.02 -79.70 -9.66 44.30 0.65 55.05 2.65 4.84 34.18 36.02 21.07 0.35 0.32 0.57 11 G C T 51.10 3.13 13.74 17.89 97.07 -106.87 77.34 8.09 85.54 0.59 13.87 6.02 6.81 72.43 9.06 4.92 0.03 0.31 0.42 12 K C C 121.85 3.88 12.54 17.78 100.35 107.37 -85.25 -3.16 74.20 6.06 19.75 42.99 13.72 17.33 10.60 8.69 0.17 2.68 3.82 13 V C C 65.52 7.96 8.80 18.00 106.97 72.21 -92.79 73.42 60.98 11.19 27.82 40.00 12.73 7.88 17.56 9.62 0.20 4.46 7.55 14 K H G 149.78 2.25 11.17 14.74 96.30 71.08 -67.47 -34.22 40.82 4.19 54.99 13.39 7.90 20.81 16.60 36.91 0.16 2.50 1.73 15 S H G 97.56 0.73 11.64 11.70 96.54 44.06 -77.31 -8.13 47.65 1.39 50.96 7.18 7.62 31.99 12.31 39.35 0.04 0.84 0.67 16 Q C G 131.13 2.18 10.03 13.41 100.18 49.92 -94.03 -2.75 54.91 1.79 43.31 15.42 14.88 26.72 8.13 32.91 0.03 0.92 1.00 17 T C S 78.78 5.15 7.91 14.98 119.15 73.95 -107.44 132.18 98.20 1.50 0.31 37.28 60.73 0.42 0.15 0.09 0.00 0.45 0.88 18 P C C 89.32 3.19 9.91 14.92 114.28 -110.43 -66.70 149.50 96.43 1.67 1.90 86.04 7.24 3.17 0.78 1.00 0.00 0.92 0.85 19 K C C 166.56 1.24 9.92 12.41 112.94 -112.75 -80.92 132.38 91.11 6.75 2.14 80.17 7.56 2.32 1.07 1.00 0.00 2.78 5.10 20 V C C 93.95 5.05 6.25 13.15 119.91 -158.83 -106.00 141.27 90.02 7.35 2.63 84.19 4.48 0.86 1.63 0.93 0.00 3.24 4.67 21 E C C 152.55 0.90 9.98 11.18 114.73 -111.42 -74.67 144.22 92.61 2.76 4.63 88.33 3.31 1.54 2.11 2.03 0.00 1.52 1.16 22 K C C 163.27 1.61 7.45 10.93 112.54 -104.80 -73.71 136.23 88.59 2.26 9.15 73.15 10.48 4.85 3.18 6.02 0.00 1.22 1.10 23 Q C C 130.00 2.20 6.68 10.87 118.99 -137.30 -95.06 145.24 91.31 2.05 6.63 73.51 13.15 4.51 1.93 4.78 0.00 1.06 1.08 24 E C C 161.68 0.85 7.80 9.47 111.98 -115.16 -83.97 130.85 95.13 1.78 3.09 81.35 11.45 2.20 1.15 1.86 0.00 0.82 1.17 25 K C C 151.53 1.85 6.67 10.36 116.62 -120.53 -89.96 137.75 99.04 0.65 0.31 87.57 11.08 0.40 0.16 0.12 0.00 0.27 0.39 26 P C C 110.85 1.58 7.24 10.53 112.57 -107.81 -68.42 146.30 98.95 0.58 0.47 94.20 3.77 1.04 0.18 0.20 0.00 0.27 0.33 27 K C C 165.22 1.12 7.65 10.05 113.68 -114.20 -85.10 139.39 97.94 1.61 0.46 81.31 15.28 0.93 0.22 0.20 0.00 0.48 1.58 28 Q C C 144.17 1.32 8.15 10.89 115.51 -118.91 -91.41 133.29 98.78 0.96 0.26 77.86 20.55 0.38 0.15 0.09 0.00 0.35 0.61 29 P C C 90.48 4.05 6.79 12.91 113.22 -110.55 -67.36 145.82 97.02 0.92 2.06 87.58 6.86 2.68 1.28 0.58 0.00 0.38 0.64 30 K C C 160.83 1.12 8.85 10.78 117.47 -153.33 -103.64 145.37 93.46 1.57 4.96 80.52 9.11 3.45 3.93 1.05 0.00 0.52 1.42 31 G H H 49.12 1.46 11.02 12.71 117.31 10.71 70.73 -154.13 43.70 1.08 55.22 25.61 13.05 7.18 48.16 4.99 0.02 0.38 0.61 32 R H H 170.20 1.28 10.80 12.30 94.88 -37.70 -67.29 -32.01 18.70 0.58 80.72 10.68 3.54 6.43 70.99 7.81 0.03 0.30 0.21 33 A H H 54.82 3.74 9.71 15.31 92.99 55.82 -65.47 -37.72 13.21 0.96 85.83 8.61 2.25 4.26 75.30 8.65 0.03 0.64 0.26 34 Y H H 130.65 2.86 11.65 15.74 92.51 54.02 -64.71 -39.64 5.70 0.73 93.57 3.56 1.17 2.12 86.61 5.79 0.04 0.57 0.14 35 K H H 126.92 1.57 13.35 14.88 92.38 51.52 -65.15 -40.04 5.11 0.85 94.04 2.43 0.93 2.48 88.19 5.06 0.06 0.67 0.18 36 R H H 131.08 2.62 12.68 16.21 92.86 51.04 -66.26 -38.34 6.02 0.84 93.14 2.41 0.82 3.26 86.86 5.68 0.08 0.69 0.20 37 L H H 83.40 4.37 11.69 17.69 93.00 53.00 -66.32 -38.36 10.18 0.56 89.26 3.50 1.19 5.96 82.71 5.90 0.13 0.40 0.21 38 L H H 103.70 2.28 12.86 15.78 93.40 53.83 -67.67 -36.40 23.12 0.62 76.26 5.10 2.39 15.63 71.27 4.82 0.15 0.33 0.31 39 Y H H 147.16 2.08 12.20 14.80 96.72 49.65 -77.17 -29.36 43.09 1.82 55.10 15.20 7.62 21.53 49.77 3.97 0.18 0.78 0.94 40 T H H 71.05 4.65 10.56 16.78 100.25 55.04 -84.78 -13.35 46.18 3.22 50.61 26.98 8.35 12.07 43.70 5.75 0.12 1.60 1.43 41 R H H 144.74 3.54 11.33 16.32 96.26 81.41 -71.11 -24.33 36.34 2.52 61.14 16.62 5.60 14.03 43.69 17.55 0.08 1.66 0.77 42 R H H 158.41 2.20 11.78 14.91 96.47 64.72 -74.50 -23.01 36.51 3.37 60.11 12.97 5.93 16.72 42.32 18.65 0.17 2.35 0.89 43 F H H 127.63 4.04 10.75 16.14 102.06 48.52 -91.34 -3.90 36.16 9.47 54.37 14.00 6.76 15.67 38.67 15.50 0.43 6.93 2.03 44 V C H 90.82 4.84 9.97 16.42 109.74 84.83 -90.93 104.13 49.78 15.65 34.57 22.95 12.40 15.40 28.32 6.00 0.41 11.46 3.05 45 N C C 117.27 2.12 11.79 14.83 105.71 51.58 -92.14 57.83 64.24 14.71 21.05 33.71 10.81 19.85 16.59 4.69 0.13 12.24 1.99 46 V C C 85.31 5.32 8.69 15.95 116.27 133.22 -95.44 133.75 69.33 18.63 12.03 55.56 8.89 3.92 10.52 2.30 0.05 15.38 3.38 47 T C C 92.92 2.87 9.99 14.62 118.37 -158.10 -103.72 135.19 65.12 26.01 8.87 53.90 6.70 3.14 7.81 1.94 0.05 19.51 6.96 48 L C C 112.62 3.62 7.75 13.43 115.51 -147.57 -99.92 130.75 71.28 21.24 7.49 56.03 10.10 4.39 5.66 2.45 0.04 17.00 4.34 49 T C C 101.28 2.10 7.89 11.62 115.14 -166.25 -107.33 124.27 69.07 19.28 11.65 35.07 15.65 19.93 5.36 5.84 0.13 12.32 5.70 50 N C T 145.34 0.42 9.79 9.40 97.73 -7.03 52.96 33.79 87.82 2.39 9.79 12.99 20.16 54.83 2.60 6.92 0.01 1.55 0.94 51 G C T 58.90 1.71 8.95 11.80 102.59 -41.87 83.88 0.08 87.80 3.69 8.51 18.72 27.46 42.38 1.51 6.49 0.01 2.31 1.12 52 K C C 148.65 1.65 9.55 12.49 117.46 118.74 -95.46 140.13 71.69 21.99 6.32 47.62 15.69 8.37 2.13 4.50 0.03 15.38 6.27 53 R C C 147.25 4.64 8.65 15.25 115.27 -120.24 -88.35 134.44 66.50 27.24 6.26 50.29 9.25 5.78 2.66 3.94 0.03 19.68 8.37 54 K C C 129.25 4.01 10.24 16.19 116.50 -144.05 -95.18 136.27 78.83 16.59 4.57 61.99 10.02 6.21 1.70 2.95 0.00 12.45 4.67 55 M C C 131.07 3.59 10.14 15.35 108.75 -130.62 -84.89 118.41 88.97 7.96 3.07 50.92 28.76 9.74 0.90 2.17 0.01 4.70 2.80 56 N C C 94.50 4.71 9.90 16.24 111.65 -80.10 -101.33 111.55 95.49 3.98 0.54 59.82 33.30 2.63 0.14 0.43 0.00 2.11 1.58 57 P C C 97.61 3.73 10.13 15.60 99.48 -150.34 -69.34 -16.91 95.53 2.84 1.62 49.55 34.97 11.00 0.35 1.32 0.00 1.41 1.39 58 S C C 66.48 3.77 9.44 14.97 110.28 58.31 -104.55 105.59 95.91 2.51 1.58 67.41 24.26 3.83 0.41 1.25 0.00 1.02 1.83 59 P C T 93.92 4.20 8.66 14.80 97.97 -153.06 -66.97 -18.04 71.71 1.14 27.15 24.20 8.61 36.29 1.76 28.08 0.00 0.66 0.40 60 S C T 91.38 1.37 9.51 11.71 98.50 63.58 -85.03 -0.72 69.95 1.34 28.71 16.71 9.53 42.13 2.12 28.22 0.00 0.77 0.51 61 S C C 73.79 3.80 7.43 13.12 109.38 92.70 -85.67 103.81 71.20 2.16 26.64 50.73 5.47 12.71 2.38 26.72 0.00 1.24 0.75 62 Q C C 136.72 2.35 10.71 14.64 110.09 -159.35 -90.96 111.12 99.52 0.28 0.20 99.00 0.39 0.26 0.08 0.04 0.00 0.15 0.08