# 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 110.13 6.62 13.62 21.76 117.16 -157.97 -100.31 126.76 98.66 1.33 0.01 98.87 0.15 0.02 0.00 0.00 0.00 0.86 0.10 1 I C C 93.96 6.76 11.89 20.42 118.25 -162.30 -105.80 129.56 76.11 23.77 0.12 77.01 1.10 0.15 0.06 0.05 0.00 13.02 8.61 2 E C C 123.02 4.86 13.50 20.20 114.76 -134.29 -91.30 126.40 90.15 9.79 0.06 85.96 4.34 0.15 0.02 0.04 0.00 8.53 0.96 3 P C C 52.63 11.96 11.99 24.62 114.96 -115.60 -70.71 150.79 93.95 5.68 0.38 90.87 3.09 0.44 0.17 0.15 0.00 4.20 1.09 4 S C C 50.54 5.03 19.83 25.09 119.86 -119.46 -83.14 158.63 88.02 11.19 0.80 86.46 1.68 0.22 0.65 0.12 0.00 2.59 8.29 5 L H H 50.37 16.94 13.65 30.34 92.52 -110.06 -60.44 -37.24 2.73 0.04 97.23 0.74 0.54 1.56 96.40 0.73 0.01 0.02 0.01 6 K H H 118.06 5.67 17.68 24.48 91.58 55.02 -63.44 -40.83 1.31 0.04 98.65 0.31 0.18 0.81 97.82 0.84 0.00 0.03 0.01 7 A H H 47.31 3.46 18.99 22.77 91.67 49.90 -64.53 -41.23 0.67 0.06 99.28 0.17 0.10 0.39 98.36 0.91 0.00 0.05 0.00 8 L H H 28.24 12.20 15.74 29.48 92.46 49.53 -64.68 -42.08 0.50 0.04 99.46 0.11 0.06 0.30 99.02 0.47 0.00 0.03 0.00 9 A H H 14.77 14.63 12.76 28.53 91.83 51.81 -63.76 -41.17 1.22 0.04 98.74 0.25 0.10 0.82 97.90 0.90 0.00 0.02 0.01 10 S H H 75.21 2.50 16.49 19.34 92.32 51.00 -65.79 -39.02 3.87 0.02 96.12 0.31 0.16 3.24 94.92 1.35 0.00 0.01 0.00 11 K H H 139.66 2.22 16.13 18.60 92.35 50.99 -67.69 -32.85 9.37 0.03 90.60 0.30 0.37 9.05 89.31 0.92 0.02 0.01 0.02 12 Y C T 88.36 10.20 12.33 23.62 99.47 39.21 -100.63 6.30 73.21 0.25 26.53 1.79 4.35 64.73 27.26 1.56 0.03 0.08 0.21 13 N C T 114.92 2.84 17.05 20.45 95.25 -117.01 55.95 44.82 94.45 0.15 5.39 6.01 3.78 84.81 4.14 1.10 0.00 0.07 0.09 14 C C C 38.13 15.59 10.73 25.97 99.59 152.90 -86.85 6.78 80.52 1.78 17.70 48.86 10.27 20.68 5.50 12.76 0.00 0.92 1.00 15 E C C 126.26 4.84 18.51 24.26 95.83 116.16 -77.67 -8.92 69.88 3.56 26.56 28.82 17.14 24.73 4.84 21.10 0.02 1.86 1.49 16 K C C 98.43 7.87 19.66 28.16 122.20 74.59 -102.96 148.15 73.05 4.57 22.38 28.09 25.34 20.36 3.10 18.95 0.01 3.03 1.11 17 S C C 27.26 15.03 19.27 34.25 113.81 -110.46 -91.65 129.13 62.97 21.72 15.31 38.94 13.36 11.68 2.32 12.26 0.01 20.07 1.37 18 I E E 28.70 15.92 18.87 35.45 124.41 -147.76 -116.02 139.15 10.55 89.23 0.22 8.99 1.30 0.09 0.22 0.06 0.00 49.99 39.34 19 C C C 12.88 16.83 15.29 33.66 108.88 -114.59 -71.32 126.76 50.26 49.66 0.08 51.21 0.48 0.06 0.03 0.04 0.00 43.62 4.56 20 R C T 127.16 7.74 17.54 26.53 93.41 -153.41 -67.97 -28.60 97.70 0.36 1.94 0.63 2.54 94.74 0.06 1.68 0.00 0.28 0.06 21 K C T 130.25 3.65 18.09 22.51 96.54 47.02 -75.54 -40.19 98.19 0.08 1.73 0.19 1.57 96.80 0.05 1.33 0.00 0.04 0.02 22 C C T 53.40 7.89 15.31 24.68 100.93 21.82 -107.50 -11.16 98.85 0.05 1.10 0.26 1.54 97.25 0.03 0.88 0.00 0.03 0.01 23 Y C T 125.04 7.97 17.00 26.17 93.86 -123.81 66.59 25.87 98.04 1.55 0.42 44.61 6.97 46.64 0.12 0.24 0.00 0.93 0.50 24 A C C 28.14 11.34 15.65 28.60 120.88 148.57 -80.18 150.81 62.26 37.65 0.08 53.07 8.71 0.67 0.02 0.08 0.00 35.47 1.98 25 R E E 129.83 7.00 21.94 29.64 115.35 -111.50 -84.05 135.29 7.29 92.65 0.06 5.96 0.58 0.05 0.07 0.02 0.00 50.81 42.51 26 L C C 19.48 22.10 11.63 33.26 118.19 -129.40 -82.40 139.16 87.20 12.77 0.03 84.97 2.99 0.07 0.00 0.02 0.00 10.77 1.17 27 P C C 42.99 8.14 17.70 27.60 115.32 -105.47 -64.33 150.79 99.36 0.53 0.11 97.06 2.00 0.38 0.02 0.09 0.00 0.25 0.20 28 P C T 94.12 5.52 15.49 22.34 93.14 -105.59 -61.01 -27.33 93.02 0.27 6.70 1.90 5.77 84.95 0.70 6.39 0.00 0.17 0.13 29 R C T 168.00 2.17 17.40 19.62 94.79 52.79 -83.57 -0.24 92.41 0.34 7.25 2.76 4.77 84.41 1.10 6.62 0.00 0.22 0.13 30 A C C 20.65 18.64 8.60 26.27 113.17 120.01 -75.48 132.44 84.83 4.35 10.82 67.58 12.95 3.42 2.47 9.00 0.00 1.91 2.68 31 T C C 91.67 3.57 18.80 23.06 105.73 -172.87 -102.22 -12.98 80.76 6.16 13.08 42.55 19.40 19.31 4.66 8.03 0.02 3.18 2.84 32 N C C 99.56 4.63 19.40 24.66 105.17 29.85 -116.26 61.69 76.19 8.89 14.92 37.79 18.50 21.06 5.24 9.05 0.09 5.13 3.15 33 C C C 27.57 19.59 10.62 29.08 115.27 155.35 -85.68 131.22 71.34 11.12 17.54 57.19 8.11 5.39 8.82 8.93 0.01 7.19 4.36 34 R C C 114.94 6.89 17.67 25.41 118.89 -159.04 -100.32 139.40 67.29 15.78 16.93 47.22 11.36 8.07 9.79 7.47 0.07 10.15 5.88 35 K C C 110.99 8.58 14.17 23.65 109.65 -121.07 -77.73 126.60 67.92 15.15 16.93 43.91 14.04 9.84 9.46 7.62 0.11 9.99 5.04 36 R C C 135.28 6.16 12.36 20.00 106.56 -135.12 -86.60 84.08 73.77 9.98 16.26 46.51 14.51 12.84 8.24 7.86 0.04 6.90 3.12 37 K C C 156.49 1.92 14.05 16.58 99.85 15.39 -74.54 -16.65 76.55 8.10 15.35 29.38 20.12 28.43 6.59 7.72 0.10 4.99 2.66 38 C C T 70.33 7.07 11.24 19.51 106.01 50.34 -95.26 31.20 85.86 3.28 10.86 22.41 24.22 39.89 4.06 6.16 0.02 1.87 1.37 39 G C S 45.72 4.17 14.92 20.11 105.67 -79.66 85.96 -11.09 87.77 6.23 6.00 27.23 35.61 25.58 1.23 4.56 0.01 3.78 2.00 40 H C C 85.29 8.15 13.25 22.80 112.35 83.00 -95.68 117.48 80.11 12.57 7.32 53.49 16.20 10.06 2.00 5.68 0.01 6.79 5.77 41 T C C 59.37 12.27 12.40 24.84 100.68 95.98 -76.83 -18.74 64.72 7.29 27.99 35.88 12.00 17.34 3.50 24.59 0.01 4.76 1.93 42 N C T 114.58 3.41 17.17 21.50 94.90 69.56 -75.74 -11.07 64.72 5.83 29.45 21.32 17.01 28.02 2.74 25.62 0.02 4.07 1.21 43 Q C C 95.79 6.47 17.59 24.91 98.04 58.05 -93.30 2.63 63.36 8.91 27.73 31.34 14.85 18.68 2.88 24.16 0.02 6.41 1.66 44 L C C 33.36 19.41 11.23 29.93 115.12 104.01 -89.20 131.01 76.83 19.97 3.20 61.89 11.70 1.96 1.39 2.04 0.00 13.03 7.98 45 R C C 118.11 5.85 19.90 26.92 126.43 -172.42 -128.06 140.03 78.64 21.05 0.31 72.04 6.07 0.36 0.15 0.19 0.00 17.48 3.71 46 P C C 61.31 11.59 13.44 25.67 114.26 -107.36 -66.41 147.89 71.46 26.65 1.88 65.73 3.29 1.41 0.93 0.96 0.00 18.60 9.06 47 K C C 121.37 6.67 12.36 20.47 108.27 -119.84 -80.91 133.14 85.18 5.18 9.65 64.37 13.81 6.73 2.39 7.48 0.00 3.30 1.93 48 K C C 139.31 3.43 10.43 15.70 113.18 -136.10 -86.60 133.13 77.43 3.81 18.76 47.37 18.80 11.51 3.43 15.26 0.00 2.28 1.35 49 K C C 151.09 2.36 9.90 13.89 108.22 -143.14 -85.59 98.79 77.54 3.96 18.50 52.55 12.75 11.75 3.28 15.90 0.00 2.47 1.30 50 L C C 105.66 5.23 7.08 13.90 111.16 -150.94 -90.22 118.74 84.91 2.97 12.12 74.76 3.09 7.87 2.83 8.43 0.00 1.84 1.18 51 K C C 157.23 1.95 11.52 14.67 108.67 -144.48 -87.22 109.54 99.77 0.12 0.12 99.34 0.24 0.27 0.05 0.02 0.00 0.06 0.02