# 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 139.87 2.16 8.96 12.83 115.03 -158.22 -98.15 131.98 99.80 0.14 0.06 99.65 0.14 0.08 0.02 0.01 0.00 0.06 0.03 1 S C C 83.17 2.36 6.87 11.20 117.20 -152.17 -97.82 141.04 90.84 2.13 7.03 86.11 1.20 5.25 2.19 3.18 0.00 1.31 0.76 2 R C C 193.55 0.82 7.85 9.27 104.20 -155.61 -88.39 9.92 83.84 4.79 11.36 41.95 24.96 17.56 3.35 7.67 0.01 3.04 1.45 3 Y C C 171.28 2.03 6.43 10.29 119.07 65.37 -110.79 129.36 77.35 12.20 10.45 52.88 13.63 10.77 3.65 7.13 0.02 8.99 2.94 4 Q C C 137.48 1.59 7.90 11.21 119.51 -165.03 -110.20 132.30 80.35 13.71 5.94 68.79 7.19 3.68 2.87 3.07 0.00 10.74 3.66 5 H C C 145.30 2.34 6.34 10.86 117.18 -157.20 -105.72 133.36 82.72 11.39 5.90 66.80 9.97 5.14 3.53 2.53 0.00 8.37 3.65 6 T C C 109.43 1.27 7.55 10.18 115.70 -166.43 -104.23 136.64 85.74 6.57 7.69 57.85 17.44 10.55 4.69 3.08 0.00 4.48 1.90 7 K C C 170.85 0.89 7.93 9.54 110.00 -115.96 -84.80 126.80 79.25 4.21 16.54 32.87 22.14 25.03 10.29 5.73 0.04 2.44 1.46 8 G C C 55.34 1.64 9.17 11.93 118.76 34.26 116.16 -19.79 75.63 4.66 19.71 32.40 23.77 20.35 12.41 6.67 0.05 2.78 1.56 9 Q C C 138.23 1.60 9.68 12.37 113.48 -59.18 -89.27 131.49 67.13 9.48 23.39 47.04 11.66 8.18 17.64 6.31 0.05 6.18 2.93 10 I C C 104.58 5.02 6.72 13.43 112.41 -148.54 -92.21 124.37 58.67 9.81 31.52 43.68 8.64 6.32 26.27 5.54 0.04 6.30 3.21 11 K C C 143.82 2.21 9.77 13.35 109.62 -153.94 -91.08 129.74 54.17 4.82 41.01 35.84 8.62 10.33 33.04 7.58 0.04 3.20 1.36 12 D C H 120.09 1.41 10.87 12.70 100.55 -4.70 -81.34 3.95 55.73 3.10 41.17 22.10 15.85 19.62 31.23 8.10 0.23 1.63 1.23 13 N C C 86.74 4.13 9.78 15.54 108.34 55.47 -102.76 78.71 61.10 3.34 35.56 39.85 11.45 10.36 29.63 5.55 0.04 1.60 1.51 14 A H H 63.95 4.01 10.47 16.21 94.74 110.54 -63.56 -37.77 6.77 0.15 93.08 3.41 1.47 2.55 90.76 1.68 0.01 0.07 0.05 15 I H H 110.18 1.89 13.23 15.32 92.63 51.59 -65.42 -40.96 2.96 0.10 96.94 0.98 0.44 1.62 94.95 1.92 0.01 0.07 0.02 16 E H H 102.00 2.26 14.03 16.62 91.95 50.12 -65.12 -40.07 1.63 0.09 98.28 0.51 0.21 0.94 95.75 2.50 0.01 0.07 0.01 17 A H H 38.17 5.50 11.35 19.09 91.84 52.28 -64.63 -40.52 1.35 0.05 98.59 0.35 0.15 0.83 96.01 2.60 0.00 0.04 0.01 18 L H H 83.07 4.57 11.96 18.21 92.09 51.25 -65.73 -37.17 2.70 0.05 97.25 0.37 0.19 2.02 94.01 3.34 0.01 0.04 0.01 19 L H H 114.83 1.86 13.19 15.32 92.71 52.90 -69.76 -30.88 14.94 0.05 85.01 0.59 0.57 14.19 81.91 2.66 0.03 0.03 0.02 20 H C T 139.70 1.77 13.11 15.00 97.85 44.97 -94.80 -7.74 53.33 0.13 46.54 1.82 3.51 46.38 46.00 2.11 0.03 0.04 0.11 21 D C C 53.89 7.73 7.77 17.44 111.18 96.80 -86.26 118.81 99.10 0.43 0.47 75.92 22.76 0.22 0.45 0.06 0.00 0.08 0.50 22 P H H 97.80 1.88 12.02 14.82 93.48 -153.19 -62.31 -31.10 23.27 0.08 76.65 2.14 1.96 18.20 67.17 10.41 0.04 0.04 0.05 23 L H H 104.85 1.94 11.80 14.38 92.87 57.33 -67.69 -36.55 19.20 0.09 80.71 1.53 1.29 15.50 70.65 10.88 0.04 0.06 0.05 24 F H H 86.12 6.22 9.60 17.59 93.22 53.22 -68.34 -36.67 8.43 0.23 91.33 2.66 1.07 4.41 78.11 13.52 0.01 0.16 0.06 25 R H H 140.06 3.05 11.97 16.27 93.35 57.02 -66.39 -35.44 9.12 0.51 90.36 4.12 1.36 4.02 81.44 8.53 0.02 0.41 0.10 26 Q H H 120.91 1.53 12.74 14.18 94.59 54.64 -71.60 -29.05 20.18 1.49 78.34 6.71 2.74 10.81 70.15 7.93 0.09 1.26 0.31 27 R H H 142.89 2.87 11.90 15.81 97.31 54.16 -77.52 -21.49 28.28 3.00 68.71 12.73 4.51 11.47 62.78 5.49 0.06 2.36 0.60 28 V H H 75.95 5.92 9.67 17.06 106.26 58.47 -85.87 61.06 33.07 9.76 57.17 22.55 5.78 6.03 54.11 2.82 0.06 6.83 1.82 29 E H H 119.70 2.80 11.23 15.19 104.57 54.59 -79.14 90.57 38.97 9.01 52.02 28.53 4.93 5.39 50.36 2.50 0.02 6.87 1.40 30 K H H 141.40 2.29 10.76 14.13 104.48 56.23 -80.61 13.64 42.83 6.76 50.40 29.00 6.50 7.42 47.49 3.24 0.03 5.08 1.24 31 N C H 98.53 3.48 9.35 14.31 104.61 70.97 -85.35 68.78 53.29 3.63 43.08 35.41 6.98 10.41 40.22 3.58 0.02 2.47 0.92 32 K C C 147.93 2.16 9.14 12.68 99.93 109.52 -80.25 -10.28 59.93 3.63 36.44 33.18 11.09 16.11 31.93 4.28 0.05 2.12 1.25 33 K C T 155.18 1.37 9.39 11.55 101.71 62.25 -84.17 4.40 73.10 2.38 24.52 21.61 15.90 35.40 20.54 4.24 0.07 1.21 1.03 34 G C T 55.59 1.86 9.24 12.23 106.00 -20.85 75.31 2.39 86.89 1.57 11.53 27.67 22.50 37.28 7.13 3.90 0.01 0.76 0.74 35 K C C 147.73 1.92 9.05 12.30 108.20 113.99 -88.74 96.36 80.82 3.04 16.14 39.65 19.92 21.81 9.37 6.20 0.02 1.37 1.66 36 G C C 49.01 3.03 9.56 14.10 109.49 -35.37 72.43 15.83 74.87 2.49 22.65 35.46 17.78 22.17 12.15 9.95 0.03 1.24 1.22 37 S C C 79.63 2.63 9.14 13.25 109.53 -100.76 -88.13 114.17 60.63 3.61 35.76 30.91 13.83 16.10 20.05 15.60 0.06 2.08 1.36 38 Y C C 171.87 2.03 8.99 12.28 106.55 60.09 -89.37 60.16 51.07 8.79 40.13 26.82 11.49 13.74 25.54 13.94 0.25 5.72 2.49 39 M C C 126.16 2.84 8.57 13.12 111.48 79.38 -94.34 119.43 53.06 9.46 37.49 33.95 10.22 9.07 26.67 10.98 0.09 6.63 2.39 40 R C C 157.28 2.79 8.05 12.64 112.06 -155.53 -89.64 127.75 56.94 7.06 35.99 39.02 9.96 8.27 28.89 7.06 0.04 4.71 2.05 41 K C H 158.86 1.61 8.71 11.66 108.79 -133.29 -82.78 121.54 52.55 3.98 43.46 26.04 10.29 17.46 31.42 10.81 0.10 2.57 1.32 42 G C T 57.73 1.86 9.11 12.25 103.84 16.51 45.29 7.22 58.74 1.97 39.29 22.70 12.00 24.92 24.27 14.06 0.09 1.10 0.86 43 K C C 153.67 1.91 7.80 11.28 104.85 97.89 -84.93 23.65 62.04 3.18 34.78 32.36 11.67 18.65 21.52 12.57 0.05 1.82 1.36 44 H C C 151.89 1.70 7.59 10.80 107.37 71.48 -92.52 80.57 74.16 3.08 22.76 53.08 3.86 17.87 16.25 5.65 0.00 1.67 1.61 45 G C C 53.47 2.75 10.96 15.14 110.09 -73.20 51.85 147.65 99.86 0.06 0.07 99.36 0.24 0.30 0.03 0.01 0.00 0.03 0.01