# 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 V C C 112.59 2.84 8.48 13.32 116.23 -155.13 -95.56 135.25 99.88 0.10 0.02 99.80 0.10 0.03 0.01 0.00 0.00 0.04 0.02 1 K C C 161.66 1.20 7.54 10.16 116.83 -149.36 -98.75 135.56 94.33 4.42 1.25 92.83 0.89 1.07 0.50 0.40 0.00 2.09 2.24 2 R C C 180.22 1.59 6.51 9.90 115.10 -132.41 -91.59 131.05 92.30 4.78 2.92 79.54 8.00 4.46 0.79 2.17 0.00 3.02 2.01 3 T C C 109.66 1.46 7.35 10.29 111.35 -161.71 -99.18 107.23 93.68 3.39 2.92 64.42 21.06 8.03 0.65 2.50 0.00 2.05 1.29 4 Y C C 170.61 2.21 7.09 11.16 116.69 -143.60 -101.26 129.86 93.41 4.00 2.59 63.38 24.17 5.57 0.80 1.86 0.00 1.77 2.45 5 Q C C 131.71 1.93 8.63 12.32 116.88 -163.30 -108.95 125.43 97.77 1.43 0.80 81.54 15.52 0.75 0.52 0.27 0.00 0.63 0.77 6 P C C 90.09 3.99 8.07 14.08 111.79 -114.11 -66.89 147.87 91.27 0.93 7.80 72.08 8.88 10.32 5.22 2.48 0.00 0.46 0.55 7 N C C 101.28 3.03 9.00 13.72 111.32 -122.59 -86.52 129.47 87.48 1.10 11.43 69.92 8.31 8.93 8.84 2.79 0.00 0.45 0.77 8 K H H 153.17 1.90 9.54 12.74 96.34 -156.00 -72.91 -19.97 48.59 1.06 50.36 27.61 13.91 8.36 44.58 4.58 0.02 0.44 0.49 9 R H H 158.21 1.56 10.46 12.68 95.49 66.19 -68.15 -36.60 29.83 0.73 69.44 16.77 6.70 7.64 63.08 5.15 0.01 0.39 0.25 10 K H H 123.42 2.40 11.42 14.76 94.58 54.36 -68.59 -37.41 20.62 0.75 78.63 12.88 3.70 5.56 70.81 6.36 0.01 0.46 0.22 11 H H H 98.35 4.87 10.58 17.09 94.53 53.90 -68.88 -36.85 15.55 0.60 83.84 9.13 2.79 4.89 76.03 6.60 0.01 0.37 0.17 12 S H H 64.53 3.48 12.09 16.92 93.57 55.34 -67.74 -35.33 16.92 0.59 82.49 8.77 2.96 6.25 75.66 5.81 0.02 0.35 0.18 13 K H H 138.52 1.89 13.47 15.67 95.45 51.76 -75.92 -28.54 22.52 0.84 76.63 10.90 4.05 8.77 70.83 4.64 0.03 0.46 0.31 14 V H H 80.17 4.80 12.61 18.76 100.27 48.71 -83.97 -30.91 32.96 1.10 65.94 15.98 6.75 11.06 62.52 2.68 0.03 0.50 0.47 15 H C H 101.44 5.00 12.93 19.25 101.67 52.53 -84.56 -12.85 52.78 1.18 46.04 26.40 10.62 14.22 45.85 1.86 0.02 0.45 0.57 16 G C H 31.59 5.28 14.05 20.69 101.92 52.04 -23.73 -37.48 60.31 0.96 38.73 37.97 10.81 9.88 38.58 1.94 0.00 0.37 0.44 17 F H H 101.77 6.93 12.06 20.19 94.32 47.92 -66.24 -37.87 17.88 0.41 81.71 9.69 3.49 5.78 78.02 2.60 0.04 0.19 0.19 18 R H H 148.81 2.29 14.47 17.36 92.49 53.02 -65.13 -39.93 6.82 0.18 93.00 2.51 1.21 3.50 88.41 4.16 0.05 0.12 0.06 19 K H H 126.54 1.76 15.76 17.18 92.35 50.23 -66.13 -39.22 4.93 0.13 94.93 1.42 0.73 2.81 87.32 7.55 0.03 0.09 0.03 20 R H H 89.90 7.05 12.27 21.03 92.54 50.86 -68.49 -34.61 5.74 0.10 94.17 1.20 0.72 3.66 85.29 9.01 0.03 0.06 0.03 21 M H H 84.91 7.40 11.24 20.19 92.89 56.83 -74.06 -18.23 24.14 0.16 75.71 2.58 1.94 19.03 67.71 8.50 0.06 0.08 0.09 22 S C T 86.33 1.39 14.33 15.43 93.89 62.02 -82.28 -11.17 68.75 0.35 30.90 6.81 7.19 54.15 26.16 5.21 0.05 0.14 0.28 23 T C S 59.64 4.85 9.23 16.36 121.25 88.55 -88.53 154.03 96.70 0.78 2.52 12.75 82.13 1.46 2.49 0.19 0.00 0.14 0.85 24 K H H 167.85 0.75 13.19 13.20 93.06 -113.96 -60.48 -36.12 37.20 0.07 62.73 1.24 5.26 30.07 61.35 1.92 0.08 0.02 0.06 25 N H H 102.31 2.07 13.17 15.68 93.78 48.22 -69.81 -27.74 33.74 0.06 66.20 1.71 2.99 28.22 65.33 1.66 0.04 0.02 0.04 26 G H H 18.86 8.40 10.43 20.92 92.86 61.47 -62.73 -40.14 7.98 0.04 91.98 2.98 1.19 3.69 90.77 1.32 0.00 0.02 0.02 27 R H H 133.13 3.12 14.81 18.91 91.79 51.62 -64.71 -40.25 2.05 0.01 97.94 0.71 0.22 0.93 97.70 0.43 0.00 0.01 0.00 28 K H H 125.26 1.50 17.47 17.77 92.36 50.05 -65.02 -41.20 1.40 0.02 98.58 0.48 0.16 0.66 98.38 0.29 0.00 0.01 0.00 29 V H H 62.51 4.14 15.73 21.04 92.00 49.68 -64.08 -42.97 0.81 0.03 99.16 0.35 0.10 0.33 99.06 0.14 0.00 0.02 0.00 30 L H H 60.57 6.45 14.39 22.55 91.95 49.60 -64.19 -41.86 0.33 0.00 99.66 0.09 0.02 0.16 99.65 0.08 0.00 0.00 0.00 31 A H H 50.88 2.58 15.71 18.77 91.39 50.77 -62.92 -41.34 0.43 0.00 99.56 0.07 0.02 0.26 99.55 0.10 0.00 0.00 0.00 32 R H H 126.08 1.75 15.77 17.00 91.99 50.07 -64.78 -40.82 0.85 0.00 99.15 0.11 0.05 0.56 99.06 0.21 0.00 0.00 0.00 33 R H H 103.66 4.61 12.55 18.65 92.14 50.30 -65.40 -40.24 2.06 0.01 97.94 0.39 0.17 1.31 97.62 0.51 0.00 0.00 0.00 34 R H H 137.31 3.14 12.06 16.53 91.90 51.24 -65.29 -38.54 5.75 0.03 94.22 1.02 0.47 3.88 93.27 1.33 0.01 0.01 0.01 35 R H H 178.29 0.87 12.75 12.92 92.07 52.14 -67.74 -30.99 16.62 0.08 83.30 1.46 1.16 13.77 82.03 1.47 0.03 0.03 0.04 36 K C T 145.42 1.40 10.96 12.67 96.10 51.59 -83.95 -6.71 67.11 0.18 32.71 2.65 4.14 57.61 33.86 1.53 0.02 0.06 0.12 37 G C T 53.58 2.34 10.09 13.76 102.18 -101.69 78.12 13.35 92.27 0.41 7.33 15.03 8.37 68.79 6.18 1.27 0.00 0.18 0.18 38 R C C 144.59 3.78 7.92 13.63 113.45 141.71 -84.79 128.64 89.57 2.28 8.15 71.50 9.98 8.14 4.47 3.58 0.00 1.25 1.08 39 K C C 156.00 1.67 9.40 12.37 110.73 -152.64 -92.81 120.13 86.37 4.44 9.20 60.52 15.51 10.39 4.12 5.04 0.00 3.13 1.27 40 V C C 109.79 2.71 7.83 12.28 112.61 -163.68 -96.07 124.25 81.84 9.23 8.93 58.31 13.90 9.54 3.97 4.92 0.01 6.82 2.55 41 L C C 129.44 2.23 7.14 11.10 109.03 -151.64 -88.72 102.76 88.77 5.81 5.43 79.87 2.44 7.18 2.44 2.13 0.00 4.39 1.55 42 S C C 84.81 2.34 10.33 14.16 114.07 84.13 -97.78 130.55 99.82 0.15 0.03 99.63 0.15 0.09 0.01 0.00 0.00 0.09 0.02