# 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 122.75 3.84 9.96 15.72 118.37 -153.88 -95.31 138.97 99.91 0.08 0.01 99.72 0.21 0.02 0.00 0.00 0.00 0.03 0.01 1 P C C 100.77 2.77 8.66 13.40 114.34 -104.89 -67.54 148.25 99.09 0.70 0.21 98.19 0.35 0.80 0.05 0.06 0.00 0.32 0.22 2 K C C 163.40 1.37 8.03 10.87 114.52 -114.84 -82.53 138.13 90.86 8.14 1.00 81.46 6.73 2.31 0.32 0.67 0.00 4.13 4.38 3 M C C 143.80 2.43 6.99 11.41 114.25 -122.55 -86.64 133.53 86.80 12.16 1.04 77.91 6.79 1.73 0.36 0.69 0.00 8.09 4.44 4 K C C 151.48 1.90 9.05 12.56 119.64 -153.35 -104.84 141.37 84.00 14.71 1.29 74.37 7.29 1.76 0.61 0.69 0.00 9.43 5.86 5 S C C 78.84 4.04 8.46 14.51 117.49 -132.07 -91.67 143.72 85.26 12.23 2.51 71.34 10.60 2.70 1.48 1.12 0.00 7.77 4.99 6 H C C 116.80 5.13 9.53 16.29 111.70 -131.60 -90.36 120.01 88.78 5.82 5.40 74.25 10.82 3.40 4.05 1.59 0.00 3.45 2.44 7 S C C 77.34 2.87 11.90 15.82 98.26 -146.56 -69.78 -27.72 53.04 2.02 44.94 31.73 10.61 11.50 29.67 14.50 0.04 0.97 0.97 8 G H H 41.23 3.80 12.15 17.30 93.91 60.65 -65.27 -32.75 39.66 0.93 59.40 11.53 8.36 19.25 35.92 23.90 0.10 0.47 0.48 9 T H H 55.01 9.24 10.35 20.66 94.04 55.66 -73.85 -26.27 28.38 1.06 70.57 10.30 5.23 12.39 41.48 29.52 0.08 0.59 0.41 10 K H H 122.97 5.69 12.64 19.85 92.94 69.95 -65.12 -28.38 24.91 1.12 73.97 8.62 4.58 11.53 40.99 33.17 0.07 0.67 0.37 11 K H H 148.47 1.89 15.21 17.19 94.00 57.33 -77.91 -14.83 39.31 1.75 58.93 9.76 6.71 22.39 30.58 28.69 0.13 1.10 0.64 12 R C T 118.22 7.39 13.56 21.88 97.93 57.60 -90.15 -9.81 55.00 5.90 39.10 16.05 13.80 26.84 16.82 20.53 0.24 4.16 1.56 13 F E E 71.66 13.49 10.03 23.78 125.52 72.56 -108.89 142.04 30.56 67.74 1.70 24.89 5.19 1.30 0.96 0.91 0.01 64.24 2.50 14 K E E 122.46 3.24 16.57 21.06 126.25 -169.35 -123.32 146.43 9.06 90.72 0.22 8.34 0.60 0.12 0.15 0.08 0.00 89.97 0.73 15 V E E 90.87 7.16 10.27 19.04 115.69 -124.80 -91.99 130.33 6.99 92.89 0.12 6.41 0.33 0.05 0.11 0.04 0.00 85.29 7.77 16 T C C 61.78 5.38 9.33 16.64 122.39 -150.96 -90.61 170.32 84.52 15.31 0.16 83.70 1.00 0.22 0.04 0.08 0.00 13.79 1.17 17 G C T 69.03 0.44 9.89 9.71 92.15 -93.57 -62.76 -20.40 94.09 3.78 2.13 2.79 12.24 79.36 0.12 2.14 0.00 2.89 0.44 18 S C T 93.08 0.75 10.61 10.85 93.98 56.34 -88.63 -0.70 97.47 0.38 2.15 1.30 9.41 86.57 0.10 2.28 0.00 0.22 0.11 19 G C S 44.29 4.36 10.85 16.95 97.85 -103.29 86.91 6.01 97.05 0.90 2.06 11.34 73.55 12.26 0.16 1.85 0.00 0.56 0.28 20 K C C 106.94 4.12 12.94 18.89 119.08 130.74 -84.61 144.28 81.59 18.19 0.21 76.36 4.36 0.45 0.09 0.13 0.00 16.38 2.22 21 V E E 58.97 10.84 11.24 23.55 117.20 -134.11 -100.06 131.54 2.36 97.61 0.02 2.29 0.11 0.01 0.02 0.01 0.00 94.85 2.71 22 T E E 57.92 7.09 16.17 24.89 124.18 -166.68 -117.08 144.32 6.33 93.60 0.07 6.20 0.25 0.04 0.06 0.02 0.00 93.24 0.20 23 A E E 50.97 11.41 13.01 25.22 124.73 -158.16 -114.61 140.46 19.10 80.50 0.41 17.53 1.09 0.14 0.32 0.11 0.00 79.94 0.87 24 R C C 124.44 6.57 14.01 22.13 122.33 -155.34 -109.97 141.87 53.91 45.19 0.89 51.00 2.16 0.40 0.62 0.31 0.00 43.66 1.85 25 K C C 118.70 5.67 12.06 19.34 114.60 -111.47 -79.29 143.13 84.22 13.18 2.60 80.23 2.80 1.24 1.39 0.99 0.00 10.64 2.71 26 A C T 71.91 5.03 10.30 16.97 111.72 -105.03 -66.98 145.42 81.34 1.50 17.16 13.33 14.03 53.72 7.87 9.32 0.03 0.86 0.84 27 G C T 55.65 2.23 12.25 15.24 99.02 20.21 81.73 0.74 81.30 0.73 17.97 16.61 12.90 51.58 9.13 8.84 0.03 0.34 0.57 28 K C C 121.04 4.53 9.45 15.80 98.81 128.17 -81.05 -6.94 59.71 1.07 39.21 35.58 12.38 12.07 23.71 15.15 0.02 0.45 0.65 29 R C H 166.92 2.17 10.79 14.11 97.43 72.13 -71.59 -13.51 49.52 1.19 49.29 22.10 10.81 17.03 29.49 19.30 0.05 0.57 0.65 30 H H H 125.13 3.21 9.86 14.43 97.34 67.19 -75.16 -20.06 44.85 1.52 53.62 18.44 9.48 17.43 31.21 21.82 0.10 0.77 0.75 31 L H H 108.15 3.33 10.05 14.88 97.66 55.63 -76.70 -10.39 48.12 1.90 49.98 22.98 10.39 15.79 30.81 18.00 0.09 0.90 1.03 32 N C C 95.51 4.85 9.20 15.67 99.35 70.16 -87.23 6.89 56.32 1.63 42.05 33.54 9.45 13.86 24.81 16.62 0.02 0.76 0.94 33 E C T 136.12 2.44 10.05 14.02 97.45 98.59 -72.73 -20.66 64.99 0.97 34.04 16.72 14.38 34.09 18.97 14.69 0.03 0.44 0.66 34 H C T 159.95 1.00 10.69 11.74 100.34 53.52 -92.19 7.63 71.94 0.94 27.12 23.88 15.34 33.38 13.65 12.67 0.01 0.41 0.66 35 K C C 96.49 7.36 7.04 15.81 119.06 106.92 -87.70 145.34 90.52 0.90 8.57 54.42 32.94 3.10 6.94 1.55 0.00 0.25 0.81 36 S C C 66.60 2.16 11.47 14.48 114.75 -105.25 -69.66 152.98 88.77 0.73 10.50 83.06 3.09 2.55 9.40 1.16 0.00 0.26 0.48 37 S H H 84.81 2.19 9.48 13.25 93.44 -114.30 -62.03 -33.61 29.31 0.34 70.35 10.97 8.66 11.06 64.08 4.90 0.03 0.13 0.17 38 R H H 163.57 1.02 12.35 12.90 93.33 57.60 -66.50 -37.26 20.64 0.39 78.97 6.17 5.14 10.27 73.07 4.95 0.05 0.20 0.15 39 V H H 66.91 4.38 11.09 17.26 93.79 50.32 -67.80 -39.66 15.24 0.62 84.14 7.51 3.14 5.70 77.67 5.40 0.03 0.39 0.16 40 T H H 57.93 6.91 10.54 19.18 92.67 52.23 -64.42 -39.85 12.70 0.60 86.70 6.72 2.30 4.62 79.85 5.95 0.03 0.40 0.15 41 R H H 159.71 1.58 13.81 15.53 92.19 53.25 -65.83 -34.70 17.21 0.58 82.21 5.46 2.75 9.26 72.08 9.81 0.07 0.38 0.19 42 R H H 160.12 1.76 13.97 15.93 92.74 55.24 -71.00 -25.02 26.01 0.61 73.38 5.96 3.64 16.13 64.26 9.27 0.12 0.36 0.26 43 L H H 74.10 9.57 10.25 20.80 96.84 54.73 -88.62 -2.58 42.68 2.40 54.92 17.14 8.32 18.96 46.78 6.36 0.15 1.27 1.03 44 T C C 87.56 4.95 11.56 18.44 112.92 101.04 -81.51 133.08 77.45 6.60 15.95 38.83 16.22 22.33 13.77 2.89 0.10 3.75 2.11 45 G C C 46.61 2.25 14.94 17.60 125.58 51.27 118.33 -171.52 82.27 15.13 2.60 35.93 27.43 19.52 1.03 1.37 0.01 13.64 1.08 46 E C C 137.34 3.87 12.10 18.04 118.29 -59.25 -97.41 137.18 61.05 37.96 0.99 51.24 6.88 1.22 0.38 0.53 0.00 38.90 0.85 47 T E E 70.62 6.87 12.30 21.06 126.54 -170.90 -127.44 143.97 11.31 88.29 0.40 10.53 0.90 0.21 0.27 0.16 0.00 86.74 1.19 48 V E E 102.12 4.21 14.69 20.53 115.32 -127.75 -91.19 131.10 9.79 90.00 0.21 9.34 0.54 0.10 0.16 0.07 0.00 87.52 2.26 49 L C C 45.66 14.85 8.17 22.72 121.50 -153.96 -100.17 145.25 57.15 42.43 0.42 55.86 1.43 0.15 0.27 0.13 0.00 40.94 1.22 50 S C C 61.17 2.43 15.85 18.28 119.62 -112.29 -72.04 161.92 94.14 5.07 0.79 92.51 1.69 0.30 0.57 0.16 0.00 4.34 0.45 51 K H H 163.27 1.66 12.59 15.49 92.55 -98.80 -58.48 -36.35 24.15 0.18 75.67 1.80 2.66 18.29 56.89 20.03 0.13 0.09 0.11 52 G H H 53.14 1.06 14.77 14.73 92.58 52.57 -65.18 -32.83 22.86 0.15 76.99 1.50 1.93 17.69 55.96 22.62 0.12 0.08 0.10 53 E H H 72.33 8.51 13.36 23.18 94.71 49.10 -76.89 -27.50 14.20 0.20 85.59 3.78 1.88 8.02 61.20 24.89 0.03 0.13 0.07 54 A H H 27.81 12.52 11.83 25.43 92.19 68.83 -61.39 -42.46 1.47 0.01 98.52 0.54 0.16 0.64 97.82 0.84 0.00 0.00 0.00 55 A H H 62.99 2.06 18.27 19.54 91.74 50.95 -64.01 -40.63 0.64 0.01 99.35 0.13 0.06 0.38 98.83 0.59 0.00 0.01 0.00 56 K H H 114.10 2.40 17.82 19.91 92.04 49.70 -65.43 -40.91 0.47 0.02 99.51 0.09 0.05 0.31 98.91 0.62 0.00 0.02 0.00 57 V H H 38.06 12.22 13.36 26.60 92.25 50.24 -65.04 -41.80 0.47 0.02 99.51 0.07 0.04 0.32 99.01 0.54 0.00 0.01 0.00 58 K H H 106.44 6.92 15.37 23.44 91.61 52.55 -63.57 -39.18 1.68 0.03 98.29 0.18 0.11 1.39 96.63 1.66 0.00 0.02 0.01 59 K H H 147.60 1.18 16.46 16.67 92.12 51.84 -66.95 -35.67 7.96 0.02 92.02 0.39 0.32 7.47 88.60 3.18 0.02 0.01 0.01 60 L H H 98.18 4.35 13.88 19.29 94.23 51.26 -75.87 -24.28 15.44 0.06 84.50 0.95 0.94 13.56 81.81 2.64 0.04 0.02 0.04 61 L H H 72.58 10.24 9.38 20.18 103.11 69.20 -85.90 22.75 45.02 2.02 52.97 13.72 10.55 23.59 45.84 3.97 0.23 0.77 1.33 62 A C T 83.26 2.48 12.04 15.74 104.91 -123.32 -69.75 104.98 78.12 1.32 20.57 15.53 8.41 53.39 17.12 4.21 0.02 0.64 0.69 63 G C T 59.31 1.77 11.66 14.40 103.20 -3.83 77.00 8.31 89.36 1.56 9.08 21.49 13.49 55.07 4.87 3.58 0.01 0.86 0.63 64 H C C 112.55 5.85 7.69 15.30 115.20 146.40 -93.15 129.85 94.25 3.10 2.65 64.76 26.12 3.24 1.32 1.21 0.00 1.28 2.07 65 P C C 113.27 1.66 9.84 12.85 109.92 -124.21 -74.83 137.16 94.57 2.09 3.34 57.90 12.55 24.27 0.84 2.37 0.00 1.24 0.83 66 G C C 58.66 2.04 8.92 12.55 111.51 -92.68 -76.67 142.31 96.47 1.30 2.22 72.30 3.68 20.95 0.50 1.28 0.00 0.81 0.49 67 R C C 169.88 2.69 10.14 14.64 112.11 -109.49 -92.06 126.03 99.75 0.20 0.05 99.51 0.22 0.10 0.01 0.01 0.00 0.11 0.04