# 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 136.53 2.68 8.76 13.32 115.37 -149.98 -92.75 135.13 99.89 0.10 0.02 99.80 0.10 0.03 0.01 0.00 0.00 0.04 0.01 1 K C C 161.90 1.26 7.61 10.33 116.55 -146.90 -97.69 133.96 94.24 4.48 1.28 92.86 0.82 1.13 0.52 0.39 0.00 2.06 2.22 2 R C C 176.28 1.86 6.54 10.29 114.39 -140.22 -93.76 129.70 92.52 4.81 2.67 79.30 8.48 4.44 0.76 1.95 0.00 3.05 2.03 3 T C C 106.43 1.76 7.79 11.06 111.68 -167.51 -99.56 115.38 93.34 4.01 2.66 65.98 20.60 6.60 0.63 2.22 0.00 2.47 1.50 4 W C C 179.57 2.93 7.48 12.35 115.68 -154.59 -100.02 128.64 92.50 5.09 2.41 67.45 20.59 4.12 0.83 1.66 0.00 2.26 3.09 5 Q C C 128.63 2.24 9.43 13.50 118.18 -166.70 -110.49 127.97 97.46 1.60 0.94 85.94 10.88 0.71 0.69 0.25 0.00 0.76 0.76 6 P C C 82.89 5.33 8.47 15.71 113.93 -113.18 -66.56 147.97 91.39 1.15 7.46 77.37 7.32 6.64 5.62 1.85 0.00 0.57 0.65 7 N C C 94.67 3.32 10.36 15.24 113.29 -125.68 -85.86 140.17 87.95 1.31 10.74 74.52 6.92 5.98 9.22 1.96 0.00 0.51 0.90 8 R H H 163.25 2.86 10.02 14.56 95.08 -145.53 -69.31 -25.43 44.44 1.09 54.47 26.42 12.83 6.47 50.76 2.58 0.02 0.41 0.52 9 R H H 156.76 1.80 11.82 14.29 93.20 63.28 -65.74 -38.14 19.99 0.52 79.49 11.42 4.22 5.38 75.88 2.66 0.01 0.26 0.16 10 K H H 116.30 2.36 13.07 16.11 93.42 51.96 -68.00 -38.62 11.78 0.50 87.72 7.02 2.00 3.72 83.58 3.23 0.01 0.31 0.12 11 R H H 94.29 6.79 11.71 20.18 93.01 52.29 -66.60 -39.29 7.48 0.35 92.17 3.95 1.30 2.88 88.29 3.26 0.02 0.23 0.08 12 A H H 49.37 7.04 12.54 21.07 92.63 51.66 -65.55 -38.39 7.39 0.26 92.35 3.01 1.21 3.57 88.68 3.26 0.03 0.16 0.07 13 K H H 133.88 2.37 15.40 18.09 94.80 47.60 -76.38 -31.76 11.93 0.28 87.79 3.25 1.86 7.20 84.05 3.31 0.07 0.15 0.11 14 T H H 76.30 4.20 15.37 20.37 100.72 41.11 -89.62 -33.24 22.96 0.37 76.66 4.40 3.92 15.27 73.29 2.61 0.14 0.16 0.21 15 H H H 91.21 6.98 13.97 22.04 104.33 33.56 -99.26 -6.82 47.12 0.84 52.04 11.81 11.80 24.20 49.10 2.15 0.11 0.28 0.55 16 G C H 24.43 6.77 15.48 23.64 119.57 76.43 79.64 -172.86 52.54 0.83 46.63 28.29 16.07 9.42 42.13 3.30 0.03 0.29 0.47 17 F H H 100.06 9.00 13.68 23.51 93.68 -52.17 -65.40 -36.38 13.93 0.17 85.90 2.85 2.60 8.89 77.83 7.52 0.14 0.08 0.10 18 R H H 144.78 2.53 16.01 19.14 92.11 53.79 -64.34 -38.42 6.86 0.08 93.06 1.18 0.90 4.55 83.80 9.44 0.04 0.05 0.03 19 A H H 48.99 4.15 15.38 20.81 92.21 51.49 -65.48 -38.73 5.53 0.06 94.41 0.93 0.66 3.52 81.64 13.17 0.02 0.04 0.02 20 R H H 82.73 9.08 12.59 23.02 93.52 51.79 -73.98 -27.59 12.65 0.11 87.24 1.58 1.33 9.00 73.25 14.66 0.07 0.06 0.06 21 M H H 86.59 7.81 11.67 20.93 93.99 65.84 -77.03 -10.70 49.83 0.31 49.86 7.04 3.77 38.11 39.61 11.02 0.06 0.14 0.24 22 R C T 180.04 1.04 15.38 15.54 93.61 71.22 -79.86 -15.72 79.73 0.49 19.78 11.33 14.11 54.68 13.10 6.13 0.02 0.17 0.46 23 T C S 58.10 5.05 10.07 17.32 121.94 79.20 -96.05 151.36 98.79 0.53 0.69 8.20 90.22 0.35 0.57 0.04 0.00 0.07 0.55 24 P H H 109.93 1.21 13.98 14.91 92.78 -115.13 -59.10 -37.69 7.61 0.01 92.39 0.32 0.81 6.46 91.43 0.97 0.01 0.00 0.00 25 G H H 40.40 2.54 14.11 17.37 91.97 50.57 -63.91 -37.62 6.75 0.00 93.25 0.25 0.36 5.97 92.26 1.15 0.00 0.00 0.00 26 G H H 15.68 9.43 11.29 22.81 91.86 52.89 -64.02 -40.50 1.89 0.00 98.11 0.32 0.17 1.18 97.39 0.94 0.00 0.00 0.00 27 R H H 123.25 3.84 15.51 20.47 91.47 51.66 -64.18 -40.90 0.57 0.00 99.43 0.15 0.04 0.30 99.28 0.23 0.00 0.00 0.00 28 K H H 122.94 1.42 18.61 18.32 91.94 49.74 -64.72 -41.23 0.53 0.00 99.47 0.12 0.04 0.30 99.44 0.09 0.00 0.00 0.00 29 V H H 59.83 4.69 16.36 22.27 91.62 49.43 -64.09 -42.97 0.29 0.00 99.71 0.08 0.02 0.14 99.71 0.04 0.00 0.00 0.00 30 L H H 50.81 8.80 13.91 24.38 91.66 50.30 -63.48 -41.94 0.14 0.00 99.86 0.02 0.01 0.08 99.87 0.03 0.00 0.00 0.00 31 K H H 112.88 2.15 17.38 19.15 91.59 50.79 -63.81 -41.15 0.20 0.00 99.80 0.02 0.01 0.13 99.81 0.04 0.00 0.00 0.00 32 R H H 127.99 1.66 16.54 17.36 91.87 49.83 -64.61 -40.89 0.37 0.00 99.63 0.03 0.02 0.25 99.61 0.09 0.00 0.00 0.00 33 R H H 91.16 6.41 12.70 20.62 92.19 50.23 -65.02 -40.69 1.02 0.00 98.98 0.14 0.06 0.66 98.86 0.27 0.00 0.00 0.00 34 R H H 127.39 4.33 12.55 18.34 91.97 51.04 -64.37 -39.29 3.20 0.01 96.78 0.42 0.21 2.28 96.14 0.93 0.00 0.01 0.00 35 Q H H 137.81 0.87 13.69 13.48 91.72 52.32 -66.82 -32.02 12.09 0.05 87.86 0.66 0.65 10.73 86.83 1.06 0.02 0.02 0.02 36 K C T 135.86 1.72 12.02 14.05 95.06 50.68 -85.51 -6.39 69.68 0.11 30.21 1.16 2.66 63.89 30.84 1.31 0.01 0.04 0.08 37 G C T 45.94 3.33 11.29 16.01 98.85 -107.66 78.99 11.82 92.73 0.19 7.08 8.37 6.42 77.87 5.67 1.47 0.00 0.08 0.11 38 R C C 134.53 4.48 10.50 16.45 99.55 120.62 -81.59 -12.31 81.90 1.41 16.69 58.11 10.54 12.25 5.38 12.26 0.00 0.69 0.77 39 W C C 162.84 4.79 10.88 17.01 102.62 66.58 -86.49 4.27 76.62 3.70 19.67 43.42 16.20 16.61 4.85 15.43 0.01 2.35 1.12 40 R C C 166.90 1.99 12.75 15.64 107.99 74.38 -88.02 99.47 75.61 7.55 16.84 49.69 13.49 12.21 4.44 12.93 0.02 5.46 1.76 41 L C C 106.96 5.52 9.38 16.23 110.62 68.87 -89.29 115.89 80.50 10.07 9.43 58.36 14.57 7.09 4.04 5.65 0.01 6.66 3.62 42 T C C 81.34 4.27 9.70 15.72 121.73 102.52 -112.33 141.25 90.64 6.70 2.66 72.60 15.97 1.99 1.74 1.00 0.00 4.81 1.88 43 P C C 99.86 3.23 9.50 14.33 108.79 -115.30 -70.89 138.70 79.45 4.48 16.07 51.49 13.88 14.10 7.09 9.02 0.00 3.10 1.32 44 A C C 80.69 2.91 8.36 13.06 114.06 -134.34 -92.04 134.98 77.49 4.32 18.19 42.00 19.55 16.52 7.34 10.48 0.01 2.60 1.49 45 V C C 112.66 2.53 7.37 11.70 114.12 -156.71 -97.72 126.21 76.46 4.51 19.02 44.81 20.62 11.71 7.71 10.74 0.01 2.70 1.71 46 R C C 172.12 1.94 7.16 10.90 115.10 -152.37 -95.48 131.97 81.08 4.28 14.64 57.31 14.62 9.36 6.64 7.76 0.00 2.70 1.60 47 K C C 163.55 1.34 7.34 10.26 113.99 -141.83 -92.34 131.75 90.06 2.51 7.43 83.43 1.73 6.25 3.50 2.58 0.00 1.56 0.96 48 R C C 175.23 2.19 8.58 12.55 111.76 -130.53 -87.85 129.83 99.83 0.10 0.07 99.64 0.14 0.11 0.03 0.01 0.00 0.05 0.02