# 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 H C C 138.23 2.89 10.98 15.36 117.39 -147.77 -100.08 136.48 99.95 0.05 0.00 99.80 0.15 0.02 0.00 0.00 0.00 0.02 0.00 1 P C C 101.45 3.15 8.40 13.49 113.50 -108.07 -69.46 145.07 98.27 1.55 0.17 95.86 1.50 1.10 0.06 0.07 0.00 0.72 0.70 2 V C C 111.42 2.46 7.53 11.94 116.35 -133.04 -96.65 130.79 93.00 6.67 0.33 73.88 18.22 0.74 0.15 0.17 0.00 2.58 4.26 3 P C C 95.72 3.03 7.78 12.83 114.24 -108.17 -67.00 147.74 94.14 3.74 2.13 81.99 7.71 4.29 0.61 1.50 0.00 2.34 1.56 4 K C C 166.47 1.21 8.20 10.55 108.93 -118.46 -78.80 137.62 90.48 4.80 4.72 62.79 18.96 8.50 1.42 3.36 0.00 2.54 2.44 5 K C C 161.32 1.40 7.99 10.76 112.57 -101.86 -87.52 131.10 87.97 7.08 4.95 61.47 19.30 7.01 1.71 3.25 0.00 3.86 3.40 6 K C C 154.65 1.87 8.00 11.63 114.34 -152.70 -94.33 132.31 88.71 6.62 4.67 70.41 13.88 4.08 2.64 1.98 0.00 3.50 3.50 7 T C C 82.37 4.74 7.51 14.10 118.84 -145.18 -95.41 142.87 92.60 4.29 3.11 77.57 13.22 1.50 2.62 0.69 0.00 1.79 2.61 8 S C C 62.75 2.36 10.30 13.88 117.13 -113.40 -75.07 157.42 92.24 1.92 5.84 86.09 4.69 1.10 5.79 0.54 0.00 0.73 1.05 9 K H H 158.37 1.26 10.20 12.26 92.49 -108.42 -60.24 -36.61 14.18 0.26 85.57 4.49 2.81 7.39 78.41 6.62 0.04 0.14 0.10 10 A H H 75.79 1.23 11.13 12.47 92.17 53.62 -65.33 -38.60 13.85 0.42 85.74 4.26 2.33 7.84 77.81 7.31 0.06 0.27 0.12 11 R H H 128.43 2.63 11.02 14.88 93.40 49.10 -68.42 -37.50 11.36 0.72 87.92 5.31 2.14 4.88 78.78 8.16 0.04 0.53 0.16 12 R H H 125.54 3.39 11.08 16.03 92.71 54.65 -64.69 -40.55 10.34 0.56 89.10 4.73 1.89 4.61 83.76 4.43 0.05 0.36 0.17 13 D H H 98.72 1.44 12.84 14.23 93.13 50.83 -66.59 -37.17 15.35 0.55 84.10 5.25 2.16 8.33 79.50 4.18 0.06 0.36 0.16 14 A H H 70.39 2.26 12.18 15.19 93.43 54.10 -69.17 -30.91 21.30 0.71 77.99 7.82 3.36 10.70 73.38 4.03 0.05 0.39 0.26 15 R H H 133.03 4.32 10.73 16.58 96.24 62.12 -76.00 -22.52 36.92 1.88 61.20 16.35 6.69 15.06 56.30 3.81 0.07 0.91 0.80 16 R C H 146.37 3.03 11.34 15.69 101.67 64.36 -82.01 14.40 55.21 2.95 41.84 32.38 8.55 14.76 37.29 4.19 0.04 1.31 1.48 17 S C C 67.38 3.50 10.93 15.80 102.32 75.61 -78.63 -17.22 56.92 1.75 41.33 31.95 9.45 15.94 27.87 13.02 0.02 0.86 0.90 18 H C T 126.14 3.99 10.42 15.77 98.10 70.36 -76.30 -17.01 54.96 1.25 43.79 20.52 10.55 23.75 22.41 21.40 0.06 0.60 0.71 19 H C T 139.13 2.57 11.15 15.03 98.28 67.42 -80.19 -6.74 57.50 1.23 41.27 21.03 12.20 24.34 19.25 21.81 0.04 0.57 0.77 20 A C C 73.56 3.43 10.84 15.74 104.48 77.01 -84.30 25.84 68.66 2.74 28.60 37.23 12.62 19.28 12.76 15.31 0.02 1.41 1.37 21 L C C 96.60 6.87 8.59 16.92 113.19 109.30 -85.45 133.47 85.45 7.79 6.76 65.35 14.22 5.11 3.54 3.20 0.01 3.55 5.02 22 T C C 103.74 1.94 13.32 16.23 117.96 -154.68 -103.86 133.35 92.49 6.86 0.65 76.69 14.49 0.84 0.37 0.29 0.00 2.87 4.46 23 P C C 90.23 5.56 10.68 18.19 116.18 -106.92 -67.95 146.25 98.90 1.01 0.09 86.83 11.85 0.34 0.03 0.05 0.00 0.55 0.35 24 P C C 72.93 8.66 9.84 19.82 114.29 -105.45 -68.61 148.63 98.90 0.83 0.27 95.37 2.69 0.96 0.06 0.17 0.00 0.52 0.23 25 T C C 102.06 2.40 14.78 18.03 113.21 -125.75 -88.19 139.61 91.97 7.80 0.23 82.49 8.35 1.03 0.05 0.21 0.00 6.62 1.26 26 L C C 95.19 8.45 11.04 20.78 117.41 -118.32 -93.67 135.87 65.50 34.40 0.09 59.80 4.72 0.23 0.02 0.07 0.00 33.50 1.65 27 V E E 64.79 6.44 14.46 22.76 127.47 -177.73 -126.59 148.62 13.46 86.51 0.03 12.13 1.30 0.06 0.01 0.02 0.00 85.17 1.30 28 P E E 89.28 3.90 16.49 21.32 114.39 -105.22 -71.42 141.53 6.67 93.31 0.02 6.69 0.18 0.01 0.02 0.01 0.00 76.13 16.96 29 C C C 18.13 16.34 7.70 24.27 109.58 -114.78 -73.12 126.83 94.23 5.74 0.03 94.73 0.41 0.06 0.00 0.01 0.00 4.23 0.56 30 P C T 104.13 1.94 15.04 17.25 92.73 -145.01 -67.18 -25.39 99.65 0.13 0.22 0.95 8.00 90.64 0.01 0.28 0.00 0.10 0.03 31 E C T 130.80 2.54 12.97 16.35 99.43 44.89 -80.76 -39.98 99.78 0.05 0.17 0.12 4.04 95.65 0.00 0.16 0.00 0.03 0.01 32 C C T 67.47 4.46 11.28 17.42 102.72 20.96 -107.54 -10.85 99.76 0.09 0.16 0.56 5.61 93.58 0.00 0.18 0.00 0.05 0.02 33 K C C 154.15 2.29 12.63 16.39 94.21 -126.23 67.18 20.38 99.13 0.81 0.06 83.43 10.51 5.17 0.01 0.07 0.00 0.42 0.39 34 A C C 50.87 4.61 12.78 19.36 120.61 138.57 -82.69 151.51 94.01 5.98 0.01 89.81 4.35 0.06 0.00 0.01 0.00 5.42 0.36 35 M E E 116.34 4.65 15.79 21.73 112.85 -104.42 -69.97 137.75 2.01 97.98 0.01 2.06 0.08 0.00 0.01 0.00 0.00 84.02 13.82 36 K E E 57.91 13.66 11.64 25.88 131.20 176.01 -132.63 151.28 18.24 81.75 0.01 17.90 0.64 0.02 0.00 0.01 0.00 79.30 2.13 37 P C C 60.13 5.67 18.00 24.70 116.61 -101.31 -67.57 152.03 85.69 14.21 0.10 83.05 1.98 0.32 0.01 0.11 0.00 13.72 0.81 38 P C T 64.47 10.38 15.75 26.79 109.06 -91.63 -62.86 139.65 97.96 1.65 0.39 4.18 20.30 73.44 0.01 0.55 0.00 1.30 0.22 39 H C T 109.34 8.21 18.07 26.83 94.71 21.27 72.61 11.07 95.31 4.37 0.32 6.04 17.19 71.72 0.01 0.50 0.00 4.26 0.27 40 T C C 50.28 8.53 18.65 28.48 127.96 105.57 -115.49 149.18 64.33 35.53 0.14 45.02 19.87 0.83 0.03 0.16 0.00 30.39 3.71 41 V E B 50.54 11.86 16.47 29.45 118.32 -129.62 -95.07 135.33 11.16 88.79 0.05 9.89 0.55 0.03 0.05 0.01 0.00 33.03 56.43 42 C C C 17.70 14.75 12.74 29.04 109.78 -116.78 -78.39 123.88 88.20 11.77 0.03 89.04 0.62 0.05 0.01 0.01 0.00 8.88 1.40 43 P C T 88.81 5.19 16.19 22.86 92.73 -146.66 -65.79 -24.57 99.20 0.34 0.46 0.40 3.21 95.55 0.01 0.52 0.00 0.26 0.05 44 E C T 139.03 1.76 16.96 18.53 98.05 47.51 -82.74 -35.14 99.50 0.09 0.41 0.07 1.85 97.59 0.00 0.42 0.00 0.04 0.02 45 C C T 57.89 6.69 14.59 22.74 103.38 21.66 -108.83 -13.26 99.57 0.18 0.24 0.75 6.02 92.73 0.00 0.32 0.00 0.14 0.03 46 G C C 19.82 10.54 14.49 26.69 98.82 -119.48 82.14 7.71 84.93 14.95 0.12 78.22 4.13 2.28 0.03 0.08 0.00 14.05 1.22 47 Y E E 81.51 7.49 16.85 25.94 127.01 120.87 -114.00 148.36 4.51 95.47 0.02 4.38 0.21 0.02 0.01 0.01 0.00 88.43 6.94 48 Y E E 55.95 14.90 11.60 26.97 121.76 -169.68 -132.25 127.59 4.65 95.26 0.09 2.89 1.07 0.66 0.03 0.06 0.00 90.92 4.38 49 A C T 82.49 3.64 14.69 19.81 92.30 -14.02 53.74 41.37 99.58 0.27 0.15 0.41 2.63 96.62 0.01 0.12 0.00 0.19 0.03 50 G C T 63.61 1.15 13.97 14.96 93.99 -50.15 79.22 3.50 99.79 0.08 0.12 0.40 3.09 96.32 0.00 0.11 0.00 0.06 0.01 51 R E E 135.26 3.43 12.64 17.98 122.38 111.67 -109.14 141.88 9.72 90.17 0.11 5.34 4.12 0.71 0.04 0.08 0.00 85.33 4.36 52 K E E 125.52 4.54 13.84 20.11 110.21 -111.27 -72.58 128.44 10.43 89.49 0.08 9.65 0.51 0.07 0.04 0.04 0.00 84.65 5.03 53 V C C 56.24 11.76 11.32 23.78 101.19 -174.87 -92.04 -25.43 76.28 22.52 1.20 58.95 13.26 3.09 0.30 0.98 0.00 22.17 1.26 54 L C C 78.56 8.10 11.52 20.86 125.53 22.73 -125.17 143.20 76.65 19.77 3.58 50.35 19.66 6.84 0.88 2.77 0.00 16.94 2.55 55 E C C 144.15 2.19 12.38 16.04 113.19 -137.12 -91.93 129.23 84.26 13.83 1.90 81.04 2.13 1.80 0.57 1.09 0.00 11.07 2.30 56 V C C 90.69 7.32 10.65 19.26 114.11 -148.54 -94.31 126.68 99.60 0.38 0.02 99.60 0.11 0.03 0.00 0.00 0.00 0.22 0.03