# 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 112.10 5.39 10.33 17.43 113.71 -162.91 -96.50 127.56 99.83 0.13 0.04 99.73 0.11 0.05 0.02 0.00 0.00 0.06 0.02 1 G C C 45.42 3.25 9.83 14.61 118.33 -150.10 -94.49 170.58 87.26 2.02 10.72 82.36 1.32 4.81 7.00 2.42 0.00 0.97 1.13 2 H C C 149.17 2.22 8.28 11.89 101.03 -85.19 -77.79 -13.21 62.54 2.62 34.84 35.79 12.52 14.60 21.25 13.21 0.03 1.35 1.24 3 Q C C 130.10 2.20 8.79 12.48 100.33 75.53 -79.49 -16.18 54.84 2.20 42.96 30.77 11.21 13.01 26.32 16.55 0.03 1.19 0.92 4 Q C C 119.14 3.06 9.24 13.98 102.66 67.25 -85.16 12.36 49.74 2.37 47.89 32.42 8.83 8.62 30.81 17.10 0.02 1.34 0.86 5 L H H 102.88 4.30 9.35 15.35 99.99 71.70 -81.35 -15.03 47.45 3.12 49.43 29.84 8.76 9.45 33.07 15.91 0.04 1.81 1.12 6 Y C H 152.99 3.47 10.41 15.42 103.44 59.19 -86.40 6.37 51.83 3.95 44.22 27.88 10.35 14.24 28.46 15.14 0.11 2.28 1.55 7 W C C 163.39 4.36 10.38 16.27 104.12 56.12 -90.41 56.31 62.41 4.19 33.40 33.38 12.76 16.79 21.39 11.42 0.07 2.16 2.03 8 S C C 72.38 4.42 10.20 16.34 104.52 121.17 -88.30 24.54 77.05 3.78 19.17 46.18 20.04 10.88 13.61 5.40 0.02 1.63 2.24 9 H C C 110.85 5.32 9.62 16.81 117.98 86.26 -99.87 133.91 87.42 2.55 10.03 49.48 32.30 5.64 7.21 2.70 0.00 0.96 1.70 10 P C C 97.36 3.12 11.79 16.34 109.68 -107.41 -68.41 145.04 78.94 2.11 18.95 54.17 11.46 12.99 8.85 10.22 0.00 1.10 1.20 11 R C C 144.95 5.60 8.97 16.40 113.09 -120.61 -82.50 132.39 77.59 2.63 19.78 53.42 11.14 12.53 8.09 11.91 0.00 1.30 1.60 12 K C C 152.54 2.32 12.29 15.71 101.91 -162.85 -85.49 -12.31 78.87 3.43 17.70 42.50 20.45 16.13 7.03 10.18 0.02 1.53 2.15 13 F C C 128.23 4.81 10.14 16.61 123.82 40.83 -119.83 145.39 83.82 4.87 11.31 43.39 26.93 13.53 4.76 5.89 0.02 1.78 3.69 14 G C C 40.77 3.78 12.06 17.48 128.87 122.09 -159.69 175.31 93.28 2.90 3.81 56.57 28.80 7.36 1.02 2.76 0.00 1.01 2.48 15 Q C T 149.20 1.46 12.19 14.46 107.82 -58.15 -67.25 123.87 92.25 1.20 6.55 6.98 12.56 71.56 0.65 6.92 0.00 0.72 0.62 16 G C T 53.97 3.17 14.18 18.13 97.61 23.57 81.16 -0.30 94.13 0.88 4.99 8.61 11.17 73.22 0.45 5.63 0.00 0.58 0.33 17 S C C 43.75 9.90 12.14 23.39 108.35 114.21 -81.39 113.38 91.15 5.18 3.66 72.33 13.57 4.38 0.54 3.85 0.00 2.91 2.42 18 R C C 107.87 8.89 16.47 26.22 119.74 113.06 -109.78 133.00 77.85 21.08 1.08 63.79 11.26 2.09 0.35 0.84 0.00 15.01 6.66 19 S E B 47.64 8.23 19.27 28.21 128.70 -137.61 -108.95 151.02 24.25 75.58 0.17 20.65 1.03 0.05 0.15 0.03 0.00 17.85 60.24 20 C C C 12.92 18.53 11.64 30.89 110.11 -107.63 -70.53 130.03 91.03 8.90 0.07 91.95 0.73 0.09 0.02 0.03 0.00 4.58 2.60 21 R C T 142.11 4.43 18.30 23.88 92.78 -147.83 -71.00 -24.54 99.51 0.32 0.17 0.90 11.97 86.67 0.01 0.16 0.00 0.20 0.09 22 V C T 75.49 7.27 16.02 24.31 101.05 42.61 -87.27 -41.87 99.78 0.12 0.10 0.14 5.89 93.81 0.00 0.07 0.00 0.05 0.03 23 C C T 60.57 6.37 14.17 22.06 104.25 19.09 -110.77 -11.02 99.78 0.12 0.10 0.49 8.06 91.26 0.01 0.08 0.00 0.06 0.03 24 S C C 80.84 3.53 15.51 20.16 95.08 -122.97 74.06 10.49 98.94 0.99 0.07 74.18 20.58 4.10 0.02 0.06 0.00 0.39 0.68 25 N C C 64.67 7.50 12.81 22.33 115.72 139.72 -80.27 137.96 95.78 4.09 0.13 80.56 14.26 0.58 0.04 0.09 0.00 1.49 2.96 26 R C B 149.51 5.62 16.87 23.68 100.82 -144.45 -79.51 -5.29 54.21 44.60 1.20 26.67 20.34 4.03 0.67 0.59 0.03 14.36 33.31 27 H C C 90.41 7.98 18.58 27.10 117.40 73.63 -105.69 138.25 89.87 9.46 0.67 56.53 24.74 8.70 0.17 0.56 0.00 5.87 3.43 28 G C C 11.79 14.16 15.89 30.89 122.30 -140.04 -88.67 158.97 91.89 5.41 2.70 77.69 11.77 1.57 2.07 0.68 0.00 2.02 4.20 29 L H H 47.11 11.24 18.90 31.22 93.45 -115.67 -67.43 -27.68 44.15 3.06 52.79 10.20 20.11 17.03 39.57 8.77 0.77 1.11 2.43 30 I H H 26.96 17.06 14.07 31.36 92.77 58.32 -66.79 -36.19 16.13 7.49 76.38 4.24 4.09 9.35 50.78 22.57 2.08 3.71 3.18 31 R H H 131.31 5.94 16.15 23.31 92.13 55.29 -65.95 -36.92 7.17 1.17 91.67 1.99 1.16 4.10 52.38 39.04 0.05 1.15 0.14 32 K H H 138.52 2.65 16.42 19.76 92.24 51.77 -69.03 -32.86 11.45 0.57 87.97 1.24 1.34 8.20 47.58 40.90 0.17 0.43 0.13 33 Y H G 102.92 8.50 13.55 23.28 98.43 36.13 -100.08 1.15 30.47 0.42 69.11 1.43 3.01 25.12 32.63 37.05 0.28 0.22 0.26 34 G C T 51.72 2.83 18.27 21.47 95.90 -111.35 77.97 14.58 98.95 0.22 0.83 13.17 6.49 79.47 0.32 0.35 0.00 0.12 0.09 35 L C C 38.85 15.77 11.47 27.42 116.54 138.46 -92.95 139.75 96.12 2.70 1.18 65.56 21.92 8.38 0.25 1.06 0.00 1.25 1.58 36 N C S 95.22 6.01 21.16 27.88 97.99 -150.44 -94.99 20.88 97.35 2.08 0.57 16.74 73.84 6.90 0.07 0.54 0.00 1.45 0.46 37 M C S 39.38 14.30 17.25 32.27 131.57 89.21 -118.86 154.75 70.56 28.96 0.48 35.56 35.91 0.89 0.27 0.22 0.00 8.51 18.64 38 C C C 26.86 11.42 19.21 31.88 118.19 -105.19 -71.34 156.64 83.71 16.10 0.19 85.14 0.77 0.05 0.15 0.02 0.00 6.74 7.13 39 R H H 99.84 11.76 17.12 29.41 91.09 -110.63 -58.49 -39.74 1.69 0.00 98.31 0.14 0.16 1.23 98.21 0.26 0.00 0.00 0.00 40 Q H H 100.77 3.00 22.14 24.63 91.64 53.67 -63.71 -40.85 0.83 0.00 99.17 0.04 0.05 0.69 98.96 0.25 0.00 0.00 0.00 41 C H H 28.59 9.84 18.68 30.11 91.94 48.01 -65.10 -41.74 0.50 0.00 99.50 0.05 0.03 0.37 99.26 0.29 0.00 0.00 0.00 42 F H H 13.38 21.16 14.53 35.76 91.54 51.30 -63.21 -43.56 0.09 0.00 99.91 0.01 0.00 0.06 99.82 0.11 0.00 0.00 0.00 43 R H H 108.80 7.38 19.04 27.23 91.63 50.49 -63.70 -40.86 0.22 0.00 99.78 0.01 0.01 0.18 99.56 0.24 0.00 0.00 0.00 44 Q H H 103.31 2.09 21.29 21.93 91.96 49.15 -65.92 -41.12 1.06 0.00 98.94 0.02 0.03 1.04 98.58 0.33 0.00 0.00 0.00 45 Y H H 61.03 10.42 16.67 28.32 94.32 43.83 -71.64 -35.87 5.93 0.01 94.05 0.31 0.38 5.14 93.65 0.49 0.01 0.01 0.01 46 A H H 13.72 16.10 11.54 28.37 92.16 59.06 -62.51 -41.35 10.15 0.14 89.71 1.71 1.13 7.03 82.66 7.25 0.08 0.06 0.08 47 K H H 139.41 2.29 15.79 18.82 91.75 52.27 -64.26 -38.34 8.57 0.09 91.34 0.94 0.59 6.17 73.46 18.74 0.03 0.05 0.03 48 D H H 110.00 1.83 15.40 17.18 91.93 54.05 -68.44 -25.93 14.02 0.08 85.90 0.74 0.72 11.79 69.72 16.91 0.05 0.04 0.04 49 I H T 76.53 8.43 11.77 21.53 96.59 45.78 -94.14 -0.74 45.97 0.14 53.88 0.97 2.22 42.67 37.21 16.69 0.06 0.06 0.12 50 G C T 53.73 1.94 16.77 18.31 97.57 -102.67 87.11 9.55 99.49 0.07 0.44 3.70 3.32 92.59 0.24 0.09 0.00 0.04 0.02 51 F C C 70.36 13.22 8.18 21.40 120.43 133.05 -92.17 144.06 88.37 11.42 0.21 81.04 6.34 0.80 0.08 0.13 0.00 10.51 1.11 52 I C C 112.57 2.95 14.54 18.82 120.08 -153.94 -112.71 134.74 59.59 40.19 0.22 55.76 3.02 0.49 0.10 0.13 0.00 35.17 5.35 53 K C C 123.86 6.81 10.45 19.06 113.16 -125.47 -81.24 131.55 62.47 37.26 0.27 59.69 1.75 0.59 0.11 0.15 0.00 33.45 4.26 54 L C C 108.24 4.94 8.67 15.35 106.20 -145.83 -86.42 47.29 92.61 7.03 0.36 91.32 0.76 1.09 0.10 0.17 0.00 5.70 0.86 55 D C C 119.81 1.59 11.85 14.22 105.42 -135.13 -86.76 74.38 99.87 0.12 0.01 99.71 0.15 0.05 0.00 0.00 0.00 0.07 0.01