# 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 128.05 3.36 9.85 14.98 116.19 -155.07 -95.22 136.66 99.86 0.11 0.03 99.73 0.13 0.05 0.01 0.00 0.00 0.05 0.02 1 S C C 81.71 2.59 8.09 12.40 113.91 -124.26 -82.09 143.03 88.06 1.47 10.47 83.03 1.13 6.14 4.24 3.94 0.00 0.77 0.75 2 S C C 90.68 1.65 7.96 11.01 107.31 -129.75 -84.40 90.57 79.24 2.19 18.56 39.85 18.63 21.48 7.13 10.68 0.01 1.06 1.16 3 H C C 151.84 1.60 8.23 11.15 110.09 -136.30 -92.08 104.60 73.40 3.02 23.58 39.21 17.21 17.51 12.29 10.72 0.03 1.47 1.56 4 K C C 116.51 4.73 7.95 14.61 115.45 111.60 -90.91 137.64 78.88 2.96 18.16 55.14 18.96 4.69 14.63 3.75 0.01 1.24 1.58 5 T C C 73.81 2.80 10.35 14.55 117.37 -128.77 -82.56 158.17 80.18 3.40 16.42 70.59 6.54 2.20 16.15 1.43 0.00 1.27 1.82 6 F H H 151.49 1.55 10.37 12.72 92.97 -112.30 -60.60 -38.47 3.63 0.04 96.34 1.50 0.74 1.26 96.11 0.36 0.00 0.01 0.01 7 R H H 154.06 1.21 12.17 13.24 92.40 51.93 -64.86 -40.44 1.80 0.01 98.18 0.50 0.23 0.96 97.94 0.36 0.00 0.01 0.00 8 I H H 82.52 3.04 11.73 16.24 92.33 47.99 -66.28 -41.13 0.84 0.01 99.15 0.22 0.09 0.45 98.92 0.32 0.00 0.00 0.00 9 K H H 110.04 2.80 13.09 16.94 92.01 50.89 -64.15 -40.86 0.46 0.00 99.54 0.12 0.04 0.23 99.45 0.16 0.00 0.00 0.00 10 R H H 139.42 1.47 14.74 15.68 91.80 49.91 -64.72 -40.94 0.62 0.00 99.37 0.10 0.04 0.39 99.34 0.12 0.00 0.00 0.00 11 F H H 107.93 2.20 14.38 16.86 92.00 49.78 -64.50 -42.09 0.57 0.00 99.43 0.11 0.04 0.32 99.42 0.10 0.00 0.00 0.00 12 L H H 80.22 3.11 13.80 18.00 92.04 50.02 -64.38 -41.15 0.47 0.00 99.53 0.09 0.03 0.27 99.46 0.15 0.00 0.00 0.00 13 A H H 54.22 2.22 13.93 16.73 91.56 51.01 -63.76 -40.97 0.82 0.00 99.18 0.11 0.05 0.54 99.08 0.22 0.00 0.00 0.00 14 K H H 121.51 1.50 14.67 15.62 92.30 50.22 -65.28 -40.20 1.41 0.00 98.58 0.17 0.09 0.98 98.38 0.36 0.00 0.00 0.00 15 K H H 113.01 2.32 13.37 16.31 92.43 50.51 -65.62 -39.83 2.47 0.01 97.52 0.33 0.19 1.73 96.80 0.94 0.00 0.01 0.00 16 Q H H 106.09 2.34 12.61 15.79 92.25 51.40 -65.67 -37.37 7.05 0.04 92.92 0.86 0.56 5.23 91.42 1.89 0.01 0.02 0.01 17 K H H 136.96 1.71 12.23 14.39 92.70 53.49 -69.61 -29.19 20.31 0.16 79.54 3.35 1.95 14.67 76.55 3.30 0.03 0.07 0.08 18 Q H H 123.94 2.06 11.12 14.17 94.64 60.82 -74.21 -18.61 46.91 0.46 52.63 8.07 5.84 32.78 49.22 3.56 0.06 0.18 0.29 19 N C T 116.80 2.10 10.59 13.77 99.99 56.95 -89.49 8.04 73.66 0.82 25.52 21.52 12.10 40.39 21.54 3.61 0.02 0.32 0.51 20 R C C 144.83 2.78 9.76 14.45 116.41 111.98 -96.72 137.29 97.59 2.03 0.38 53.62 43.43 0.90 0.21 0.13 0.00 0.83 0.87 21 P C C 106.32 1.96 11.37 14.67 114.26 -105.13 -68.18 146.80 93.30 6.27 0.44 87.28 5.13 0.61 0.25 0.14 0.00 2.08 4.51 22 I C C 95.58 6.77 7.56 16.04 115.79 -111.87 -82.78 139.49 95.96 2.48 1.56 82.66 12.11 1.12 1.25 0.36 0.00 1.04 1.47 23 P C C 75.33 3.73 10.96 16.37 112.18 -104.61 -64.53 142.19 92.17 1.55 6.27 86.47 3.55 2.46 5.05 0.99 0.00 0.76 0.72 24 Q H H 133.32 2.22 10.60 14.36 93.33 -133.20 -63.45 -30.47 38.60 4.45 56.95 13.39 12.82 14.35 42.63 12.18 0.31 3.28 1.05 25 W H H 167.83 2.27 11.06 14.31 93.26 64.70 -69.94 -24.72 20.62 15.59 63.79 7.95 4.74 9.66 46.67 15.38 0.51 13.83 1.26 26 I H H 82.33 5.60 9.58 16.96 95.82 63.06 -73.75 -27.03 9.87 21.13 69.00 5.23 2.08 3.73 50.71 15.86 0.12 21.59 0.70 27 R H H 138.18 4.12 11.05 16.64 96.95 60.13 -80.51 -18.66 11.36 32.44 56.21 6.18 2.20 4.10 42.95 11.42 0.13 32.03 0.99 28 M E E 110.19 3.35 10.52 15.37 110.52 63.52 -97.16 110.43 15.62 56.03 28.35 9.56 2.88 4.46 24.15 6.03 0.08 51.03 1.82 29 K E E 128.21 4.05 8.27 14.27 115.73 -148.39 -96.61 130.73 20.56 73.46 5.97 15.03 3.66 2.58 5.34 1.68 0.01 69.38 2.31 30 T E E 93.65 2.63 8.30 12.47 114.40 -173.08 -121.65 111.46 31.40 63.01 5.59 14.65 9.09 10.62 3.91 2.24 0.06 55.85 3.57 31 G C T 65.78 0.47 10.86 10.10 105.87 -48.33 62.34 -116.35 97.53 0.70 1.77 5.64 16.82 75.37 0.46 1.04 0.00 0.48 0.19 32 N C T 140.00 0.88 9.16 10.23 99.74 -19.32 -94.67 6.61 98.14 0.80 1.06 5.84 21.34 71.13 0.15 0.80 0.00 0.60 0.15 33 K E E 138.97 1.66 10.04 13.06 121.11 95.59 -104.34 141.84 26.16 73.46 0.38 18.35 8.03 1.31 0.15 0.26 0.00 67.52 4.37 34 I E E 98.04 6.24 7.61 15.70 114.46 -131.93 -92.06 128.25 21.93 77.85 0.22 20.21 1.34 0.25 0.11 0.11 0.00 74.78 3.20 35 R C E 142.63 3.08 12.17 16.84 119.11 -168.48 -110.84 137.83 50.75 48.75 0.51 43.62 5.33 0.84 0.25 0.26 0.00 48.43 1.27 36 Y C C 134.66 5.87 9.81 17.50 122.27 -144.04 -115.97 138.81 69.03 28.38 2.58 56.17 10.20 2.10 1.85 1.05 0.00 25.31 3.33 37 N C C 72.32 5.56 10.18 17.85 114.23 -160.87 -112.24 117.54 91.53 5.53 2.94 85.07 5.23 1.43 2.07 0.85 0.00 4.02 1.32 38 S C T 78.84 3.42 10.16 15.39 94.38 -156.34 -70.20 -18.24 63.58 1.32 35.10 20.50 12.72 30.33 19.35 15.70 0.03 0.68 0.70 39 K C T 153.11 1.31 11.79 13.44 93.91 67.33 -72.73 -17.56 60.30 1.19 38.51 15.60 13.48 31.22 23.06 15.28 0.06 0.54 0.76 40 R C C 133.25 4.35 9.40 15.49 99.63 67.99 -84.70 6.60 55.53 1.45 43.02 32.21 12.35 11.19 27.71 15.06 0.02 0.67 0.80 41 R C H 135.68 4.54 9.98 16.21 99.41 100.48 -75.04 -19.54 52.96 1.27 45.77 35.81 8.84 8.82 36.65 8.64 0.01 0.61 0.62 42 H H H 123.61 2.82 10.81 14.92 100.38 58.47 -88.05 6.20 49.24 1.51 49.24 33.21 7.26 9.63 38.40 10.03 0.01 0.78 0.69 43 W H H 147.26 3.99 9.31 15.01 101.54 55.33 -76.30 -18.14 40.42 1.24 58.34 21.14 7.61 12.84 43.60 13.60 0.03 0.65 0.53 44 R H H 144.58 2.78 9.93 14.19 101.31 59.79 -78.35 -18.38 38.45 1.25 60.29 19.78 7.24 12.54 46.97 12.24 0.04 0.66 0.53 45 R H H 150.59 2.90 9.44 13.81 99.33 54.56 -73.35 -28.92 37.71 1.15 61.14 19.16 8.62 11.10 48.82 11.19 0.04 0.57 0.50 46 T H H 94.11 2.33 9.10 12.72 100.23 63.25 -79.82 -25.94 39.65 1.10 59.25 19.02 8.10 13.29 46.25 12.25 0.05 0.56 0.49 47 K H H 153.95 1.45 9.06 11.47 97.57 58.61 -75.96 -17.48 45.92 1.38 52.70 18.42 9.55 18.94 39.60 12.05 0.08 0.68 0.67 48 L C T 114.14 2.91 8.01 12.45 99.57 60.47 -83.13 -3.67 61.49 1.51 37.00 17.76 11.94 32.47 26.64 9.58 0.07 0.70 0.83 49 G C C 58.83 1.52 10.74 13.10 99.49 -107.64 74.24 9.31 91.20 0.84 7.96 54.07 3.45 34.79 4.88 1.94 0.00 0.45 0.42 50 L C C 99.04 5.66 9.87 17.10 104.71 125.69 -83.09 30.58 99.82 0.13 0.05 99.63 0.15 0.10 0.02 0.01 0.00 0.07 0.02