# 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 126.11 4.18 11.27 16.90 111.16 99.88 -93.25 115.43 99.83 0.16 0.01 99.75 0.10 0.04 0.01 0.00 0.00 0.07 0.02 1 G C C 51.59 3.20 10.01 14.80 117.63 -140.85 -112.07 166.46 93.78 4.70 1.51 90.04 1.96 2.00 1.15 0.32 0.00 2.63 1.90 2 L C C 113.45 3.30 8.24 13.24 116.45 -95.54 -90.97 136.54 89.01 5.29 5.70 72.28 13.22 3.12 5.01 1.22 0.01 3.26 1.87 3 P C C 94.45 2.78 9.86 14.14 110.64 -107.02 -70.89 141.84 82.30 5.85 11.85 70.47 6.53 4.67 10.16 2.41 0.00 3.94 1.81 4 I C C 114.10 4.09 7.97 13.70 108.62 -134.48 -85.80 111.82 62.96 7.19 29.84 50.04 6.92 5.79 24.71 5.45 0.02 4.47 2.61 5 R C C 164.19 2.02 10.13 13.31 104.11 -155.44 -81.32 -1.68 56.01 5.31 38.67 36.84 10.09 9.56 31.92 6.61 0.04 3.45 1.49 6 N C C 106.56 2.70 10.34 14.27 103.53 43.95 -82.15 28.61 53.77 3.32 42.91 36.93 8.06 9.03 36.81 6.09 0.03 2.04 1.01 7 I H H 101.60 3.94 9.61 15.12 99.54 79.89 -74.71 -27.52 29.84 2.20 67.97 21.97 4.81 4.82 61.97 4.47 0.02 1.41 0.54 8 Q H H 116.91 2.14 12.26 15.07 96.71 64.14 -69.26 -37.33 22.28 2.64 75.09 15.06 3.58 5.33 68.89 4.55 0.03 2.06 0.50 9 F H H 118.97 2.77 12.36 16.09 95.61 52.35 -69.48 -37.46 17.93 3.11 78.96 11.60 2.90 4.97 72.82 4.47 0.04 2.69 0.53 10 A H H 53.64 4.25 11.92 17.82 95.50 54.75 -67.51 -39.10 15.39 2.22 82.39 10.45 2.24 3.83 78.32 2.87 0.01 1.94 0.34 11 R H H 137.97 2.67 13.66 17.14 94.78 53.44 -67.79 -38.85 13.08 1.75 85.17 7.67 2.00 4.31 81.86 2.35 0.02 1.49 0.29 12 Y H H 135.89 2.46 14.18 17.07 94.66 50.73 -68.42 -38.91 9.49 1.39 89.12 5.18 1.58 3.57 86.29 1.89 0.02 1.23 0.24 13 H H H 109.33 3.47 14.07 18.45 94.05 51.07 -67.58 -40.05 8.41 1.27 90.32 4.91 1.25 2.93 88.19 1.39 0.02 1.10 0.21 14 Y H H 125.89 3.94 14.19 19.07 93.73 50.52 -67.81 -40.01 6.18 0.86 92.96 3.46 0.94 2.31 91.30 1.11 0.02 0.71 0.16 15 L H H 93.69 3.13 15.11 18.75 93.76 51.56 -67.15 -39.67 5.17 0.60 94.23 2.68 0.80 2.05 92.88 0.98 0.01 0.48 0.13 16 A H H 56.95 3.63 15.17 19.52 93.68 51.97 -66.93 -39.37 6.19 0.47 93.35 2.95 0.92 2.59 92.27 0.84 0.01 0.31 0.12 17 A H H 52.89 5.06 14.85 21.07 93.81 52.13 -67.13 -39.44 6.95 0.37 92.68 2.88 1.04 3.30 91.67 0.76 0.02 0.22 0.11 18 V H H 77.21 4.36 15.65 20.81 93.64 51.76 -67.24 -40.80 6.11 0.39 93.50 2.60 0.96 2.83 92.69 0.59 0.01 0.23 0.10 19 T H H 71.87 3.45 16.70 20.44 94.15 50.85 -67.15 -41.59 5.22 0.44 94.34 2.46 0.81 2.25 93.62 0.49 0.01 0.27 0.09 20 V H H 73.51 4.55 16.15 21.50 93.45 49.87 -65.77 -42.79 3.06 0.25 96.69 1.39 0.49 1.36 96.14 0.40 0.01 0.17 0.04 21 F H H 101.16 5.61 15.90 22.32 93.02 49.78 -66.01 -41.49 2.07 0.18 97.75 0.85 0.30 1.03 97.24 0.41 0.01 0.14 0.03 22 T H H 69.06 3.97 16.53 21.21 92.76 50.36 -65.72 -41.56 2.34 0.20 97.45 0.75 0.30 1.34 96.97 0.43 0.01 0.17 0.03 23 Y H H 122.53 3.13 16.66 20.04 92.79 49.69 -65.76 -41.77 2.60 0.16 97.25 0.65 0.34 1.66 96.73 0.45 0.01 0.12 0.03 24 F H H 98.83 5.03 15.43 21.47 93.22 48.96 -66.90 -41.16 3.59 0.19 96.22 0.90 0.48 2.33 95.55 0.56 0.02 0.13 0.04 25 A H H 52.33 5.34 14.02 20.81 93.12 51.65 -65.90 -39.24 6.44 0.17 93.39 1.68 0.83 4.01 92.39 0.91 0.02 0.10 0.06 26 T H H 80.65 2.99 15.11 18.66 94.34 49.17 -71.75 -35.65 12.28 0.35 87.37 3.02 1.74 7.76 85.53 1.58 0.04 0.19 0.14 27 R H H 142.73 2.87 14.84 18.26 95.49 48.61 -72.89 -30.10 17.21 0.74 82.05 5.08 2.95 9.95 78.08 3.15 0.09 0.44 0.28 28 C H H 67.60 5.51 12.35 19.21 100.51 47.86 -87.37 -22.45 25.04 1.94 73.02 9.95 4.03 12.23 67.01 4.79 0.11 1.32 0.56 29 C H H 72.36 5.18 11.61 18.29 102.64 69.89 -81.27 -9.87 32.49 3.36 64.15 13.87 4.64 15.03 56.94 6.12 0.12 2.41 0.87 30 L H H 112.36 3.08 11.84 16.14 102.41 64.41 -82.73 8.67 32.71 3.95 63.34 13.35 5.65 15.12 54.13 7.67 0.18 2.89 1.01 31 L H H 101.94 4.01 10.84 16.22 112.91 86.92 -93.91 125.44 43.22 3.19 53.59 14.07 8.90 21.39 44.01 8.19 0.27 2.13 1.04 32 D C H 88.90 3.40 12.49 16.99 104.80 -113.59 -86.47 103.47 55.88 1.90 42.22 26.53 7.03 22.65 34.95 6.98 0.04 1.11 0.72 33 Y H H 111.15 7.99 8.99 18.30 96.66 118.48 -72.69 -20.97 32.97 1.55 65.48 16.98 5.76 10.37 45.71 19.67 0.04 0.88 0.59 34 K H H 136.81 3.19 11.20 16.00 94.08 73.67 -67.99 -27.41 23.77 0.85 75.38 5.63 3.40 12.88 45.41 31.79 0.07 0.53 0.28 35 K H H 152.35 1.34 12.54 13.90 95.26 57.03 -75.83 -24.23 29.63 1.15 69.22 4.95 3.85 18.08 41.63 30.19 0.11 0.77 0.40 36 Y H H 142.34 3.98 10.89 16.20 102.07 41.21 -98.97 -13.37 41.69 2.10 56.21 8.31 8.00 23.77 35.88 21.53 0.32 1.32 0.87 37 Y C S 116.30 6.46 8.79 16.96 114.67 56.53 -111.83 110.72 92.51 3.28 4.21 37.47 52.91 2.42 3.55 0.71 0.01 1.56 1.36 38 P C C 92.80 3.09 10.82 15.53 112.57 -133.57 -71.45 141.09 83.73 4.19 12.08 66.66 8.00 8.75 7.13 5.26 0.00 2.84 1.35 39 L C C 123.18 3.22 8.40 13.53 111.30 -134.52 -87.10 129.42 57.89 11.68 30.43 34.28 11.93 12.19 13.85 16.44 0.11 8.37 2.83 40 A C C 81.59 2.88 8.52 13.17 112.33 -138.16 -89.82 129.50 52.66 14.34 33.00 28.04 12.38 13.57 13.89 18.24 0.15 11.61 2.11 41 S C C 84.21 2.27 9.10 12.95 112.02 -143.86 -95.33 124.31 49.21 19.47 31.32 29.62 9.83 11.06 12.82 17.65 0.09 16.95 1.97 42 V C C 102.46 4.62 6.66 12.94 114.78 -150.51 -97.02 126.17 55.99 23.41 20.60 38.21 10.96 7.18 12.26 8.30 0.09 20.38 2.62 43 K C C 151.49 1.83 8.65 12.11 115.98 -157.73 -98.84 132.27 61.54 23.83 14.63 42.95 10.37 7.94 8.80 5.83 0.06 21.76 2.29 44 K C C 158.24 1.89 8.33 12.06 113.85 -131.11 -88.52 129.55 75.37 16.93 7.70 67.76 2.22 5.18 4.59 2.43 0.00 15.53 2.29 45 I C C 115.21 4.42 8.85 15.21 111.79 -154.86 -97.26 123.00 99.77 0.20 0.02 99.73 0.08 0.04 0.01 0.00 0.00 0.13 0.01