# 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 114.81 6.06 9.83 17.43 113.49 -162.64 -93.43 130.80 99.73 0.22 0.05 99.54 0.19 0.09 0.02 0.01 0.00 0.11 0.04 1 E C C 143.83 1.97 10.05 13.53 116.29 -152.89 -95.78 135.27 88.70 8.19 3.12 84.08 1.71 3.35 1.64 1.00 0.00 5.05 3.18 2 S C C 83.00 3.04 8.19 13.17 114.65 -126.32 -89.52 137.95 86.90 8.40 4.69 62.23 18.55 6.03 2.40 2.30 0.00 5.25 3.25 3 H C C 111.23 5.00 7.88 14.72 114.90 -136.95 -96.88 129.73 87.15 4.43 8.42 69.57 13.77 3.76 5.80 2.78 0.00 2.59 1.72 4 P C C 94.55 2.60 10.45 14.42 102.12 -127.55 -66.69 26.62 59.80 3.48 36.71 38.45 8.59 12.66 23.12 13.75 0.02 2.26 1.16 5 L H H 108.40 3.81 9.02 14.34 102.81 73.94 -81.70 -2.05 45.87 4.73 49.40 25.10 8.47 12.67 30.31 18.87 0.09 3.06 1.43 6 L H H 100.35 4.96 8.62 15.13 106.02 72.48 -85.60 77.22 40.82 6.17 53.01 24.63 7.50 9.11 33.92 18.97 0.08 4.20 1.58 7 Q H H 123.31 2.92 10.06 14.52 108.44 96.94 -87.92 102.93 45.43 5.91 48.67 26.73 8.61 10.75 33.98 14.27 0.10 3.97 1.59 8 R C H 169.09 2.03 10.00 13.22 107.23 57.29 -87.17 81.41 50.84 7.39 41.77 25.69 10.81 15.59 29.33 11.35 0.19 4.93 2.11 9 F C C 134.19 4.42 8.37 14.44 110.10 70.71 -97.07 108.66 62.57 8.56 28.87 30.03 14.59 19.04 20.24 7.93 0.16 5.18 2.82 10 N C C 122.77 1.98 10.53 13.89 108.83 -159.60 -94.87 101.44 78.53 7.04 14.43 45.48 17.82 15.50 9.24 5.14 0.03 4.16 2.62 11 L C C 88.63 6.26 7.56 15.54 117.55 166.14 -90.61 141.01 86.21 4.73 9.06 58.65 22.80 5.09 5.23 3.71 0.01 2.54 1.98 12 P C C 94.68 2.60 10.95 14.84 110.42 -106.31 -68.35 144.04 76.27 3.58 20.15 59.29 7.71 8.88 7.20 13.31 0.00 2.32 1.29 13 L C C 119.28 4.15 8.43 14.10 104.16 -135.06 -79.86 13.78 57.94 4.93 37.13 35.07 10.95 12.41 8.22 28.79 0.01 3.13 1.41 14 T C C 100.04 2.56 9.70 13.82 110.04 83.23 -90.00 115.09 57.05 7.46 35.48 31.74 11.95 14.84 7.61 27.03 0.04 4.93 1.86 15 R C C 168.93 2.22 10.27 13.87 109.51 -141.84 -93.86 90.16 60.62 9.93 29.44 34.54 13.80 13.92 6.76 21.81 0.05 6.32 2.81 16 F C C 103.17 7.39 7.51 16.30 118.01 94.77 -99.93 136.10 90.05 6.88 3.07 49.54 39.24 2.05 1.83 1.12 0.00 3.26 2.97 17 P C C 78.67 3.08 11.13 15.70 111.77 -108.86 -67.63 147.75 88.31 3.09 8.60 78.75 5.74 3.87 6.05 2.52 0.00 1.80 1.27 18 R H H 171.81 2.30 9.77 13.75 94.87 -121.22 -63.10 -32.75 40.54 1.06 58.40 12.67 6.86 20.13 29.89 29.30 0.08 0.55 0.51 19 S H H 83.94 1.32 11.04 12.64 94.28 60.18 -70.00 -25.74 35.78 1.11 63.11 9.43 5.72 18.98 33.54 31.14 0.12 0.62 0.46 20 L H H 90.61 4.40 10.01 16.02 95.40 55.45 -76.17 -26.42 29.32 1.95 68.73 13.29 5.93 10.26 37.96 30.75 0.07 1.15 0.59 21 L H H 87.33 6.38 9.47 17.36 97.38 61.99 -74.29 -26.12 39.98 3.10 56.91 21.35 8.45 11.82 39.27 16.05 0.13 1.71 1.21 22 S C H 77.92 2.71 11.04 15.06 99.34 61.98 -78.03 -12.69 52.43 2.62 44.95 24.62 10.25 18.97 30.78 12.69 0.12 1.35 1.23 23 S C T 83.92 2.22 10.28 13.75 101.74 68.72 -84.10 2.87 66.60 1.78 31.62 21.64 15.67 30.28 20.62 9.88 0.10 0.79 1.01 24 S C C 82.02 2.78 10.42 14.70 103.70 84.71 -93.04 24.59 80.18 2.32 17.50 31.63 23.93 25.55 9.70 6.82 0.03 0.96 1.38 25 Q C C 101.24 5.35 8.96 16.17 116.99 103.14 -90.93 136.70 92.50 2.27 5.23 55.46 34.04 3.03 3.55 1.54 0.00 0.77 1.60 26 P C C 81.18 4.79 9.96 16.64 111.21 -107.28 -66.71 148.79 77.32 1.69 20.99 58.04 6.56 11.83 7.16 14.62 0.00 0.95 0.85 27 S C T 85.79 2.56 10.68 14.70 101.41 -123.67 -73.81 -9.88 65.33 2.17 32.50 24.29 15.31 26.49 10.06 21.58 0.04 1.02 1.21 28 H C C 136.34 3.00 10.79 15.16 105.66 60.98 -91.11 55.26 59.96 3.83 36.20 25.25 14.96 20.82 14.18 20.86 0.16 1.87 1.90 29 K C C 96.82 8.32 9.05 18.60 115.04 127.55 -89.08 136.32 71.27 3.82 24.91 47.21 18.77 5.68 17.45 7.26 0.02 1.72 1.90 30 T C C 68.08 3.44 12.19 16.98 119.74 -129.12 -82.83 160.76 73.45 4.65 21.91 60.93 9.39 2.54 21.03 1.73 0.00 1.70 2.68 31 F H H 149.19 1.94 11.76 14.61 92.38 -109.90 -59.41 -37.50 3.25 0.05 96.70 1.48 0.66 1.18 96.24 0.41 0.00 0.02 0.01 32 R H H 147.48 1.56 13.77 15.18 92.13 52.45 -64.88 -40.71 1.58 0.03 98.40 0.52 0.23 0.80 98.08 0.36 0.00 0.01 0.00 33 I H H 66.34 5.54 12.71 20.04 92.31 48.20 -65.49 -41.40 0.80 0.01 99.18 0.27 0.10 0.40 98.95 0.28 0.00 0.01 0.00 34 K H H 97.71 4.85 14.28 20.49 91.82 50.63 -64.05 -41.43 0.44 0.01 99.55 0.15 0.05 0.21 99.47 0.12 0.00 0.00 0.00 35 Q H H 99.81 2.00 16.41 18.04 91.73 49.86 -64.54 -41.41 0.48 0.01 99.51 0.10 0.05 0.28 99.49 0.08 0.00 0.00 0.00 36 K H H 105.42 2.76 16.47 19.32 91.97 49.53 -64.76 -41.67 0.54 0.01 99.45 0.11 0.05 0.33 99.43 0.08 0.00 0.00 0.00 37 L H H 65.71 5.42 14.49 21.47 92.08 49.90 -64.54 -41.36 0.52 0.00 99.47 0.09 0.04 0.33 99.42 0.12 0.00 0.00 0.00 38 A H H 50.26 3.05 15.06 19.09 91.58 50.99 -63.32 -40.94 0.90 0.01 99.10 0.13 0.07 0.61 99.01 0.18 0.00 0.00 0.00 39 K H H 118.27 1.90 15.76 17.30 92.22 50.23 -65.34 -40.43 1.64 0.01 98.35 0.20 0.12 1.18 98.13 0.35 0.00 0.00 0.00 40 K H H 107.61 3.39 14.34 18.51 92.31 51.12 -65.77 -39.88 2.89 0.01 97.09 0.40 0.22 2.06 96.36 0.93 0.00 0.01 0.00 41 Q H H 100.54 3.41 13.56 18.12 91.90 51.66 -65.91 -36.17 7.87 0.05 92.07 1.10 0.66 5.85 90.38 1.94 0.02 0.03 0.02 42 R H H 149.75 2.25 13.53 16.45 92.83 53.44 -70.45 -29.00 20.91 0.22 78.87 3.45 2.09 15.45 75.37 3.35 0.06 0.10 0.12 43 Q H H 113.14 3.54 12.15 16.96 95.36 63.63 -73.65 -20.35 46.69 0.55 52.76 6.53 5.63 34.30 49.36 3.54 0.09 0.22 0.33 44 N C T 109.38 3.30 12.03 16.53 99.61 52.51 -90.52 8.43 72.30 0.85 26.85 18.86 11.55 41.83 23.29 3.60 0.02 0.34 0.51 45 R C C 130.62 4.16 11.56 17.67 119.03 112.61 -92.85 139.74 97.01 2.50 0.49 53.19 43.18 1.08 0.27 0.18 0.00 1.10 1.01 46 P C C 93.06 3.59 13.33 18.46 114.57 -105.04 -67.08 147.35 91.13 8.15 0.72 83.01 6.50 0.93 0.43 0.25 0.00 2.85 6.04 47 I C C 76.76 10.34 9.45 20.79 115.63 -113.27 -84.14 136.97 93.86 3.65 2.49 81.20 10.91 1.47 2.06 0.57 0.00 1.63 2.17 48 P C C 61.09 5.93 12.70 20.59 111.94 -105.28 -64.64 142.64 81.95 2.57 15.48 71.40 6.02 4.28 13.93 1.86 0.00 1.39 1.13 49 Y H H 151.85 3.79 12.73 18.13 93.24 -130.53 -63.41 -31.62 29.39 4.53 66.08 11.78 9.20 11.35 51.41 11.36 0.31 3.54 1.05 50 W H H 140.22 4.12 12.80 18.33 92.92 62.25 -67.24 -31.79 16.19 10.62 73.19 6.33 3.40 7.62 56.32 15.08 0.33 10.10 0.82 51 I H H 66.03 8.27 10.84 20.68 94.76 57.31 -72.85 -26.50 8.57 15.41 76.02 4.01 1.71 3.60 59.82 14.35 0.12 15.77 0.60 52 R H H 123.08 5.76 12.56 19.70 96.06 64.37 -77.17 -22.31 11.23 24.18 64.58 5.16 2.18 4.60 52.87 10.88 0.20 23.16 0.96 53 M E E 101.96 4.29 11.85 17.57 106.63 58.62 -92.19 42.43 18.55 45.69 35.76 9.22 3.54 6.97 31.44 6.47 0.20 40.13 2.04 54 R E E 134.01 5.35 9.32 16.54 115.95 99.25 -92.22 133.19 21.83 68.30 9.88 14.86 4.05 3.71 9.48 2.05 0.03 62.80 3.03 55 T E E 79.38 4.02 8.74 14.57 119.73 161.84 -126.02 126.55 30.93 62.11 6.96 18.27 7.94 6.90 5.97 1.88 0.05 54.35 4.65 56 D C T 132.25 0.66 11.61 11.44 98.91 -42.40 48.91 -27.35 97.51 0.74 1.75 5.53 18.61 73.69 0.72 0.74 0.00 0.52 0.20 57 N C T 130.83 1.89 10.01 13.12 98.13 -28.91 -94.02 11.60 98.32 0.83 0.85 5.78 23.27 69.49 0.16 0.54 0.00 0.63 0.14 58 T E E 79.97 2.93 11.80 16.41 124.18 95.10 -116.33 142.75 26.28 73.35 0.37 19.81 6.71 1.05 0.15 0.24 0.00 68.21 3.82 59 I E E 79.03 9.37 8.95 19.70 116.47 -143.58 -99.53 128.41 19.07 80.63 0.29 17.44 1.38 0.30 0.16 0.14 0.00 78.07 2.51 60 R E E 127.41 4.05 15.07 20.63 122.56 -168.71 -115.32 140.47 37.47 62.00 0.53 33.86 2.57 0.48 0.27 0.24 0.00 61.16 1.41 61 Y C C 110.47 9.94 10.43 21.37 117.71 -136.98 -95.95 136.83 62.12 33.85 4.03 53.16 5.98 1.88 2.95 1.30 0.00 31.64 3.09 62 N C C 63.79 6.25 12.07 20.35 114.30 -152.10 -104.31 121.45 88.52 6.05 5.43 79.83 6.17 2.48 3.84 1.68 0.00 4.45 1.55 63 A C T 72.87 4.80 10.76 17.46 93.32 -152.95 -67.05 -22.99 57.58 1.43 40.99 15.87 11.97 29.33 20.68 20.61 0.05 0.74 0.76 64 K C T 156.29 1.18 12.88 14.04 94.33 64.91 -75.06 -20.91 56.19 1.58 42.23 13.85 12.48 29.46 22.63 19.77 0.11 0.76 0.94 65 R C C 120.28 6.17 9.80 17.47 101.24 63.58 -91.65 13.41 53.73 2.16 44.11 28.53 12.87 12.68 24.22 19.50 0.04 1.04 1.10 66 R C C 127.23 6.47 10.95 18.92 102.63 116.57 -74.98 -2.21 59.65 1.90 38.44 39.48 10.53 9.67 30.28 8.19 0.01 0.95 0.89 67 H C C 115.18 4.14 13.02 18.40 104.33 65.25 -86.53 49.27 58.88 2.74 38.39 41.23 7.63 10.26 29.54 8.64 0.01 1.50 1.17 68 W C H 117.64 7.58 10.44 19.44 105.88 108.15 -80.06 55.18 49.80 2.61 47.59 32.90 7.79 9.71 36.07 11.02 0.02 1.41 1.09 69 R H H 131.01 4.50 12.03 17.93 103.66 58.36 -80.57 43.52 43.92 2.56 53.51 26.54 7.98 10.79 41.84 10.39 0.03 1.49 0.96 70 R H H 140.20 4.24 11.19 16.93 97.73 68.11 -73.31 -26.79 38.56 2.12 59.32 21.48 8.64 10.02 46.16 11.67 0.05 1.21 0.77 71 T H H 83.54 3.88 10.25 15.55 98.95 59.92 -76.65 -26.96 36.97 1.54 61.49 19.11 7.33 11.32 46.45 14.30 0.05 0.89 0.56 72 K H H 142.86 2.49 10.55 14.28 97.21 59.14 -74.70 -20.23 40.84 1.90 57.25 17.39 8.19 16.28 42.42 13.78 0.10 1.06 0.79 73 L C H 103.70 4.43 8.80 14.80 99.35 59.76 -84.09 -4.06 56.20 1.96 41.83 16.78 11.14 29.03 29.90 11.06 0.12 0.96 1.00 74 G C C 57.25 1.86 11.29 14.13 101.23 -105.42 74.50 10.10 88.48 1.23 10.29 51.20 4.02 34.11 6.71 2.67 0.00 0.70 0.59 75 F C C 120.71 6.26 10.20 17.88 105.36 122.15 -86.12 33.60 99.68 0.25 0.07 99.40 0.23 0.14 0.03 0.01 0.00 0.14 0.04