# 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 121.51 4.23 10.81 16.94 115.41 -158.01 -99.31 127.81 99.56 0.37 0.07 99.38 0.21 0.09 0.03 0.01 0.00 0.21 0.06 1 Y C C 148.41 4.20 8.01 14.10 116.06 -153.16 -98.46 128.90 86.80 7.81 5.39 83.14 1.49 2.50 4.09 1.09 0.00 4.23 3.46 2 E C C 143.50 1.79 9.05 12.27 111.51 -161.92 -95.68 118.83 78.82 7.04 14.14 58.48 9.28 10.30 11.59 3.31 0.01 4.48 2.54 3 G C C 52.15 3.03 8.61 13.08 106.72 -5.39 -59.90 -14.96 63.59 3.16 33.25 30.79 17.00 17.29 25.32 6.68 0.08 1.63 1.21 4 N C H 114.12 2.48 9.06 12.94 103.27 73.24 -85.36 11.72 49.46 2.28 48.26 24.81 12.00 14.71 36.88 9.39 0.09 1.24 0.89 5 N H H 114.29 2.07 9.15 12.49 103.62 82.68 -84.19 12.56 42.11 3.17 54.72 23.58 8.97 11.81 42.81 9.73 0.09 1.95 1.05 6 M H H 118.25 3.70 8.21 13.60 102.92 91.18 -85.44 19.61 34.75 3.10 62.16 22.09 6.76 8.14 50.44 9.59 0.07 1.96 0.95 7 R H H 159.62 2.60 9.48 13.63 105.48 92.75 -85.69 29.16 32.37 3.40 64.24 18.21 6.33 9.99 51.89 10.22 0.11 2.28 0.97 8 S H H 84.72 1.96 9.88 12.92 105.46 63.98 -86.35 54.30 41.24 2.51 56.25 21.45 7.09 14.28 44.86 9.79 0.09 1.57 0.87 9 M H H 131.64 2.62 8.34 12.55 107.28 86.27 -89.94 90.96 46.04 3.16 50.80 25.34 8.69 14.09 40.47 8.32 0.10 1.78 1.22 10 M C H 132.20 2.76 8.23 12.60 112.36 129.87 -94.15 124.48 58.19 3.77 38.04 30.18 12.18 17.14 31.72 5.20 0.12 1.91 1.55 11 G C C 54.41 2.32 9.26 13.01 113.23 -155.56 -100.27 148.94 69.62 2.67 27.72 33.92 17.58 18.40 22.25 5.36 0.05 1.29 1.15 12 T C C 105.84 2.11 8.88 12.44 112.13 -121.39 -92.92 129.11 65.41 2.49 32.10 31.81 17.27 16.90 24.68 6.96 0.07 1.21 1.10 13 S C C 84.09 2.19 8.68 12.37 111.08 -144.70 -95.45 114.76 65.54 2.40 32.06 38.94 11.32 15.29 25.20 6.91 0.03 1.25 1.07 14 Y C H 155.13 3.70 7.78 13.15 108.14 -162.77 -92.88 85.16 52.03 2.97 45.00 31.55 10.38 11.66 35.40 8.15 0.06 1.58 1.22 15 E H H 139.93 1.90 9.52 12.69 108.23 106.05 -87.42 98.71 48.03 2.90 49.07 28.00 9.63 12.07 39.76 7.82 0.05 1.66 1.01 16 D H H 105.31 2.83 8.60 12.98 107.70 65.35 -88.38 90.97 46.57 2.51 50.92 27.18 9.55 11.49 40.61 8.83 0.05 1.41 0.88 17 S H H 78.82 3.02 8.45 13.11 106.58 127.98 -87.94 52.69 48.24 2.67 49.10 28.11 9.19 12.10 39.61 8.49 0.05 1.53 0.93 18 R C H 171.25 1.75 9.03 11.99 107.59 127.13 -90.44 76.95 49.23 4.15 46.62 27.39 10.31 12.92 37.45 8.03 0.08 2.46 1.35 19 L C C 109.94 3.97 7.84 13.50 111.08 144.66 -91.10 120.21 55.72 4.63 39.65 33.54 12.70 10.53 33.10 5.89 0.07 2.62 1.56 20 N C C 105.94 2.73 9.29 13.48 111.32 -154.90 -92.03 112.68 66.87 3.38 29.75 50.84 7.16 8.03 26.85 3.92 0.01 1.98 1.22 21 K H H 144.95 2.85 8.39 12.96 101.21 -166.89 -80.74 -7.11 42.83 2.22 54.95 23.62 9.01 12.15 44.21 8.91 0.06 1.27 0.79 22 R H H 176.99 1.43 9.34 11.47 100.80 74.54 -78.31 -12.91 39.25 2.00 58.75 17.84 8.22 14.42 46.50 11.05 0.09 1.21 0.68 23 T H H 97.46 2.27 8.91 12.50 107.16 68.19 -92.31 71.79 42.57 2.67 54.76 22.00 9.29 12.81 42.59 10.75 0.08 1.59 0.88 24 E C H 128.69 2.74 9.14 13.48 110.43 80.54 -87.33 122.02 48.19 4.36 47.46 30.66 8.75 10.24 38.25 7.96 0.06 2.61 1.47 25 L C C 105.32 4.40 7.73 13.81 111.41 -125.99 -86.16 125.55 56.42 5.89 37.69 35.13 11.46 10.85 30.92 5.93 0.11 2.87 2.74 26 N C C 100.58 3.19 9.07 13.81 110.84 -118.17 -87.50 125.14 72.37 2.64 24.99 50.94 7.71 13.25 19.44 5.89 0.01 1.40 1.37 27 E C T 156.78 1.39 9.41 11.76 96.32 -131.29 -71.05 -18.90 78.72 0.94 20.34 6.92 7.98 62.98 14.08 6.85 0.05 0.51 0.61 28 N C T 137.26 0.67 9.83 9.99 99.76 49.52 -92.35 6.75 83.25 1.36 15.39 8.85 8.88 65.53 8.82 6.39 0.02 0.90 0.61 29 M C C 111.89 4.58 6.61 13.15 116.25 111.75 -88.34 136.72 81.09 13.83 5.08 60.99 15.33 4.62 2.47 2.77 0.01 10.38 3.44 30 S C C 87.39 1.61 10.11 12.88 120.72 -163.97 -112.10 140.79 63.72 34.48 1.80 57.12 3.57 1.54 1.04 0.84 0.00 28.21 7.69 31 I C C 110.64 5.41 7.20 14.48 116.85 -141.90 -99.21 132.05 66.80 31.11 2.09 57.43 6.17 1.66 1.40 0.95 0.01 26.49 5.90 32 D C C 103.24 2.17 10.15 13.67 114.10 -143.24 -91.18 127.41 86.29 10.51 3.20 74.50 8.33 2.85 2.15 1.20 0.00 8.94 2.03 33 T C C 109.53 2.16 8.64 12.43 99.17 -147.85 -75.28 -16.82 74.11 3.58 22.31 31.49 15.70 27.99 13.11 8.30 0.08 2.02 1.31 34 N C T 132.87 0.90 10.20 10.90 100.06 62.66 -82.97 2.00 71.69 2.08 26.23 26.34 17.21 29.38 16.05 8.91 0.08 0.98 1.06 35 K C C 119.01 3.95 8.97 14.63 111.25 81.79 -92.63 129.04 64.27 2.78 32.95 35.89 19.33 9.92 24.26 7.98 0.05 1.26 1.31 36 S C C 65.90 2.83 10.73 14.75 109.60 -116.66 -77.39 148.41 59.99 2.10 37.91 47.05 7.21 5.85 33.70 4.32 0.01 1.08 0.78 37 E H H 127.37 3.39 10.58 15.47 95.87 -116.67 -67.79 -34.42 26.83 0.85 72.32 15.68 5.38 7.57 66.01 4.60 0.02 0.46 0.28 38 D H H 103.29 1.68 12.76 14.57 94.47 54.43 -69.41 -34.37 24.26 0.74 75.01 13.68 4.28 7.87 69.15 4.34 0.02 0.43 0.23 39 S H H 62.02 2.64 13.27 16.57 94.65 54.20 -68.15 -37.24 15.46 0.67 83.87 10.07 2.83 4.57 78.09 3.83 0.02 0.41 0.19 40 Y H H 113.52 3.97 12.58 17.94 93.62 52.06 -67.24 -39.70 5.20 0.23 94.58 2.79 1.04 2.04 92.62 1.30 0.01 0.13 0.06 41 G H H 33.83 3.27 13.44 17.95 93.09 52.46 -63.87 -41.84 4.39 0.25 95.36 2.29 0.78 1.82 93.90 0.96 0.01 0.15 0.07 42 V H H 89.37 1.85 14.54 16.20 93.07 50.34 -66.59 -40.15 3.28 0.24 96.48 1.61 0.59 1.44 95.36 0.76 0.01 0.16 0.07 43 Q H H 104.54 2.27 13.94 16.65 92.84 51.26 -66.02 -40.84 3.43 0.29 96.28 1.58 0.60 1.61 95.12 0.80 0.02 0.20 0.08 44 I H H 96.01 2.68 13.07 16.55 92.51 49.73 -66.12 -40.84 3.99 0.35 95.66 1.74 0.65 2.05 94.14 1.04 0.04 0.24 0.10 45 H H H 120.10 1.88 13.23 15.37 92.95 50.14 -66.56 -39.26 6.23 0.42 93.35 2.42 0.89 3.41 91.49 1.31 0.05 0.28 0.14 46 S H H 68.39 1.91 12.47 14.73 93.69 51.05 -67.74 -37.08 11.68 0.45 87.87 3.49 1.46 7.34 85.54 1.66 0.07 0.26 0.19 47 L H H 111.74 1.98 10.97 13.71 95.20 53.12 -71.37 -29.78 17.53 0.50 81.97 5.05 2.48 10.58 79.30 1.98 0.12 0.24 0.24 48 S H H 76.46 2.26 10.50 13.78 98.49 59.14 -78.83 -17.96 34.58 1.12 64.30 13.77 5.09 16.32 61.29 2.40 0.09 0.53 0.50 49 K H H 152.38 1.61 9.84 12.41 102.18 68.56 -82.57 9.79 47.29 2.43 50.28 22.07 7.93 18.79 44.24 4.61 0.10 1.36 0.91 50 Q C H 134.20 1.84 8.74 11.93 109.68 101.41 -87.79 114.21 55.34 4.57 40.10 28.71 10.18 17.30 33.56 5.89 0.10 2.89 1.36 51 S C C 87.66 1.72 8.90 11.96 114.61 -141.85 -94.94 127.28 63.50 8.50 28.00 36.44 9.86 16.93 22.64 5.89 0.09 6.01 2.13 52 F C C 148.30 3.09 7.26 12.30 116.48 -155.22 -101.82 130.08 68.51 14.82 16.67 48.10 9.92 9.39 13.45 4.30 0.05 11.02 3.77 53 T C C 108.31 1.59 8.57 11.59 116.32 -163.78 -104.87 133.96 72.71 13.91 13.39 49.66 11.13 11.11 10.91 3.36 0.04 10.99 2.80 54 G C C 56.96 2.07 8.36 11.80 113.26 -148.37 -99.86 139.61 74.32 9.97 15.71 35.43 22.22 17.99 10.06 4.98 0.07 7.30 1.94 55 D C C 112.54 1.79 7.82 11.12 113.22 -130.66 -90.08 129.83 66.75 9.22 24.03 44.95 11.66 10.24 16.01 8.04 0.05 7.14 1.93 56 V C C 117.14 1.89 6.35 9.94 111.94 -147.30 -92.45 125.89 53.93 12.93 33.14 32.86 10.83 11.47 19.10 13.29 0.17 9.90 2.38 57 E C C 155.36 1.06 6.61 8.84 110.12 -154.00 -90.97 106.43 53.87 15.29 30.84 32.62 10.36 12.29 17.65 12.30 0.21 12.01 2.55 58 E C C 151.89 1.30 6.67 9.39 111.34 -147.82 -89.75 123.94 67.08 9.74 23.19 55.97 2.77 9.38 13.90 7.74 0.01 7.89 2.34 59 E C C 143.51 2.26 8.99 12.99 112.45 -142.32 -87.54 126.63 99.49 0.28 0.23 99.05 0.25 0.29 0.17 0.02 0.00 0.18 0.04