# 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 A C C 79.37 3.22 9.96 14.85 114.04 -146.16 -89.48 135.82 99.89 0.10 0.01 99.83 0.07 0.03 0.00 0.00 0.00 0.05 0.01 1 K C C 163.24 1.34 8.70 11.33 112.89 -133.63 -92.22 126.54 94.12 5.05 0.83 91.18 1.56 1.52 0.38 0.28 0.00 2.57 2.51 2 H C C 144.02 2.17 7.20 11.30 117.58 -130.87 -97.95 136.36 95.48 4.16 0.36 72.91 20.59 2.12 0.10 0.29 0.00 2.60 1.38 3 P C C 99.80 3.01 8.04 13.00 113.48 -107.27 -69.68 146.47 95.84 3.83 0.33 75.00 18.68 2.14 0.09 0.28 0.00 2.52 1.28 4 V C C 113.85 2.23 8.39 12.54 116.45 -126.34 -96.88 130.36 91.39 8.41 0.20 72.01 19.42 0.47 0.09 0.11 0.00 3.99 3.91 5 P C C 94.02 3.68 7.80 13.58 113.98 -107.46 -65.98 147.34 94.43 4.04 1.53 84.15 7.17 3.03 0.50 0.94 0.00 2.56 1.65 6 K C C 162.72 1.38 8.90 11.40 109.82 -121.34 -79.22 137.79 91.10 3.62 5.27 63.05 19.36 8.56 1.71 3.49 0.00 1.83 1.99 7 K C C 161.13 1.43 8.50 11.24 113.66 -102.96 -82.55 133.36 88.57 5.23 6.20 57.96 22.19 8.36 2.28 3.87 0.00 2.69 2.65 8 K C C 155.21 1.85 8.22 11.77 114.07 -133.32 -89.64 132.61 87.18 5.99 6.82 67.29 14.50 4.97 4.15 2.68 0.00 3.04 3.35 9 T C C 83.79 4.57 7.74 14.17 118.25 -145.42 -94.18 141.68 91.66 3.95 4.38 75.14 14.41 1.74 3.77 0.88 0.00 1.64 2.41 10 S C C 62.77 2.45 10.10 13.84 117.02 -117.01 -77.36 156.42 91.37 2.01 6.62 83.66 6.01 1.13 6.74 0.58 0.00 0.73 1.16 11 K H H 157.77 1.26 10.29 12.33 92.73 -111.01 -61.00 -36.64 10.64 0.17 89.18 3.95 2.19 5.03 84.89 3.76 0.02 0.09 0.07 12 A H H 75.09 1.24 11.34 12.65 92.28 53.65 -65.08 -39.08 9.76 0.32 89.93 3.46 1.66 5.24 84.92 4.40 0.03 0.21 0.08 13 R H H 128.91 2.45 11.31 14.87 93.03 48.90 -67.38 -38.49 7.75 0.51 91.74 3.83 1.43 3.36 86.21 4.65 0.02 0.40 0.10 14 R H H 122.69 3.16 11.46 16.05 92.61 52.32 -64.71 -40.77 6.77 0.33 92.90 3.17 1.18 2.98 89.80 2.55 0.02 0.22 0.08 15 D H H 91.92 1.57 13.03 14.61 92.63 50.24 -66.49 -38.76 10.59 0.42 89.00 4.23 1.49 5.33 86.00 2.55 0.03 0.28 0.11 16 A H H 67.21 2.20 12.56 15.42 93.20 52.17 -67.82 -36.52 14.02 0.43 85.55 5.34 2.14 7.01 81.62 3.46 0.03 0.24 0.15 17 R H H 135.96 3.43 11.50 16.22 95.19 56.13 -71.83 -31.97 23.76 0.67 75.58 8.17 3.65 12.35 70.97 4.20 0.05 0.33 0.28 18 R H H 146.87 2.70 11.79 15.53 98.30 57.63 -78.62 -17.87 41.85 1.12 57.03 17.15 6.52 19.18 51.37 4.63 0.06 0.49 0.61 19 S C H 66.24 3.26 10.86 15.49 101.25 74.70 -76.43 -23.96 50.84 1.35 47.81 24.88 9.83 16.89 35.48 11.52 0.04 0.63 0.74 20 H C H 128.24 3.56 10.41 15.29 98.72 61.25 -77.26 -17.73 52.24 1.04 46.72 18.40 9.47 24.11 26.82 20.04 0.06 0.50 0.61 21 H C T 140.02 2.45 10.87 14.62 99.18 70.04 -80.63 -6.50 56.60 1.10 42.30 19.81 11.27 25.52 22.26 19.91 0.04 0.51 0.67 22 A C C 74.76 3.21 10.66 15.33 104.65 74.20 -84.06 37.42 68.83 2.54 28.63 36.58 12.19 20.61 14.33 13.69 0.02 1.30 1.28 23 L C C 99.26 6.30 8.52 16.42 112.30 111.91 -85.04 131.25 85.45 8.15 6.40 66.49 13.22 4.97 3.49 2.93 0.01 3.74 5.15 24 T C C 103.16 1.98 12.76 15.86 118.13 -155.24 -104.45 133.51 92.03 7.38 0.59 77.50 13.33 0.76 0.35 0.25 0.00 3.10 4.71 25 P C C 92.71 4.80 10.69 17.54 116.25 -104.50 -67.97 146.51 98.84 1.07 0.09 85.56 13.02 0.38 0.03 0.05 0.00 0.61 0.35 26 P C C 76.00 8.13 9.92 19.47 113.99 -105.37 -68.69 147.90 98.94 0.75 0.31 94.15 3.44 1.44 0.05 0.23 0.00 0.48 0.21 27 T C C 98.87 2.83 14.36 18.22 113.42 -128.93 -89.06 138.42 92.48 7.25 0.27 80.54 10.30 1.54 0.04 0.29 0.00 6.37 0.93 28 L C C 95.08 8.39 11.00 20.70 117.73 -122.18 -97.34 134.61 59.29 40.63 0.07 54.45 4.00 0.20 0.02 0.06 0.00 39.85 1.43 29 V E E 65.73 6.24 14.52 22.61 127.94 -170.09 -126.75 149.39 8.09 91.89 0.01 7.35 0.66 0.03 0.00 0.01 0.00 90.99 0.95 30 P E E 89.72 3.85 16.35 21.16 114.25 -104.58 -71.29 141.12 5.95 94.03 0.02 5.91 0.16 0.01 0.01 0.01 0.00 84.37 9.53 31 C C C 18.41 16.25 7.67 24.12 109.64 -114.84 -72.93 126.64 94.13 5.84 0.03 94.57 0.43 0.06 0.00 0.01 0.00 4.41 0.52 32 P C T 104.29 1.89 14.98 17.15 92.58 -145.56 -67.14 -25.05 99.61 0.13 0.26 0.93 9.02 89.58 0.01 0.34 0.00 0.10 0.03 33 E C T 130.71 2.52 12.95 16.32 99.60 44.97 -81.48 -39.46 99.75 0.06 0.20 0.12 4.50 95.14 0.00 0.20 0.00 0.03 0.01 34 C C T 67.39 4.45 11.28 17.41 102.94 21.12 -107.66 -10.58 99.71 0.10 0.19 0.64 6.50 92.55 0.00 0.23 0.00 0.05 0.03 35 K C C 154.13 2.29 12.70 16.46 94.12 -125.56 66.69 20.73 99.12 0.81 0.07 82.91 10.90 5.29 0.01 0.08 0.00 0.42 0.39 36 A C C 50.29 4.71 12.85 19.53 120.58 138.26 -83.60 151.75 94.29 5.70 0.01 90.25 4.20 0.06 0.00 0.01 0.00 5.14 0.34 37 M E E 114.02 4.91 15.77 22.03 112.87 -104.83 -70.09 137.04 2.26 97.74 0.01 2.23 0.09 0.00 0.01 0.00 0.00 90.21 7.45 38 K E E 57.64 13.38 11.82 25.90 132.02 176.25 -134.26 152.99 11.17 88.82 0.01 10.94 0.43 0.01 0.00 0.00 0.00 86.30 2.30 39 P C C 59.72 5.74 17.84 24.66 116.38 -100.87 -67.32 152.23 82.30 17.63 0.07 80.34 1.58 0.22 0.01 0.08 0.00 17.01 0.77 40 P C T 65.51 10.00 15.67 26.44 109.66 -91.39 -63.03 141.90 98.28 1.36 0.37 3.21 18.27 76.75 0.01 0.52 0.00 1.08 0.18 41 H C T 110.67 8.13 17.89 26.56 95.07 18.88 73.99 10.56 96.85 2.86 0.30 4.39 16.92 75.26 0.01 0.47 0.00 2.77 0.19 42 T C C 52.48 8.16 18.78 28.18 127.84 104.51 -116.23 148.22 66.01 33.84 0.14 43.65 23.04 0.73 0.03 0.16 0.00 28.26 4.14 43 V E B 48.97 12.28 16.09 29.38 118.00 -130.26 -97.60 136.62 12.54 87.40 0.06 11.02 0.67 0.02 0.06 0.01 0.00 30.15 58.06 44 C C C 18.43 14.38 12.82 28.83 109.32 -114.90 -76.42 123.99 88.83 11.13 0.04 89.57 0.67 0.07 0.01 0.01 0.00 8.21 1.46 45 P C T 88.68 5.28 15.93 22.76 92.66 -146.88 -65.15 -24.59 99.06 0.31 0.62 0.38 3.08 95.53 0.01 0.72 0.00 0.23 0.05 46 E C T 140.24 1.72 16.90 18.36 97.33 48.52 -81.85 -34.57 99.30 0.09 0.60 0.08 1.87 97.34 0.00 0.64 0.00 0.04 0.02 47 C C T 57.96 6.68 14.48 22.61 103.17 22.60 -108.43 -12.81 99.40 0.22 0.38 0.85 6.20 92.23 0.01 0.51 0.00 0.16 0.04 48 G C C 20.74 10.18 14.51 26.39 98.87 -118.60 82.54 7.16 83.65 16.22 0.14 76.44 4.37 2.34 0.03 0.09 0.00 15.42 1.30 49 Y E E 82.19 7.52 16.59 25.74 127.85 116.97 -116.19 148.56 4.30 95.68 0.02 4.14 0.22 0.02 0.01 0.01 0.00 88.75 6.85 50 Y E E 58.15 14.61 11.54 26.66 122.33 -171.05 -132.84 126.92 4.49 95.40 0.10 2.76 1.04 0.67 0.04 0.07 0.00 91.24 4.17 51 A C T 83.29 3.49 14.67 19.60 92.41 -14.38 53.56 41.27 99.60 0.24 0.16 0.36 2.49 96.83 0.01 0.12 0.00 0.17 0.03 52 G C T 63.45 1.17 13.84 14.90 93.87 -50.26 79.29 3.50 99.79 0.08 0.13 0.37 2.84 96.60 0.00 0.11 0.00 0.06 0.01 53 R E E 134.98 3.38 12.64 17.92 122.74 111.41 -108.77 141.63 7.93 91.96 0.12 4.39 3.32 0.60 0.06 0.07 0.00 86.61 4.95 54 K E E 123.07 4.63 13.78 20.11 110.13 -110.42 -71.85 129.32 9.73 90.17 0.10 9.07 0.48 0.08 0.06 0.05 0.00 86.10 4.16 55 V C C 56.85 11.76 11.19 23.63 101.03 -171.95 -89.13 -27.65 77.99 19.48 2.53 51.15 19.43 6.88 0.54 2.14 0.00 18.75 1.11 56 L C C 82.01 7.51 11.79 20.55 123.10 26.61 -126.28 144.71 75.03 19.18 5.79 40.09 24.38 11.56 1.09 4.58 0.01 15.93 2.36 57 E C C 143.13 2.26 12.29 16.01 113.01 -136.34 -90.45 127.39 84.69 11.95 3.36 80.45 2.31 2.65 0.89 2.13 0.00 9.63 1.94 58 V C C 89.57 7.48 10.68 19.40 113.20 -148.81 -94.66 125.55 99.63 0.35 0.02 99.62 0.10 0.03 0.01 0.00 0.00 0.20 0.04