# 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 108.47 3.24 8.81 13.90 115.37 -160.34 -99.74 130.24 99.86 0.13 0.01 99.81 0.09 0.02 0.00 0.00 0.00 0.06 0.02 1 T C C 109.24 1.58 7.36 10.60 114.50 -142.02 -91.88 131.56 95.58 2.63 1.79 93.48 0.75 2.06 0.65 0.57 0.00 1.48 1.00 2 K C C 167.36 1.08 7.25 9.61 114.24 -144.33 -95.78 130.30 92.69 3.09 4.22 62.94 15.17 14.57 1.07 3.15 0.00 1.83 1.27 3 G C C 55.44 2.21 6.74 10.82 119.13 -143.91 -106.60 163.71 92.38 2.69 4.93 58.19 19.34 14.75 0.98 4.12 0.00 1.55 1.07 4 K C C 165.02 1.20 7.99 10.40 114.88 -114.27 -98.47 135.25 89.78 4.09 6.14 67.86 15.24 6.41 1.81 4.40 0.00 2.17 2.12 5 R C C 175.30 1.98 7.25 11.05 114.56 -142.26 -92.86 129.46 89.57 4.32 6.11 71.52 12.12 5.77 1.82 4.34 0.00 2.52 1.91 6 T C C 106.31 1.80 8.22 11.56 113.60 -159.37 -99.77 124.48 91.32 3.59 5.09 65.61 17.16 8.46 1.32 3.84 0.00 2.07 1.53 7 F C C 148.64 2.95 7.34 12.22 114.74 -145.89 -98.00 128.35 92.35 3.77 3.88 65.20 21.12 5.64 1.26 2.66 0.00 1.68 2.44 8 Q C C 124.86 2.51 9.30 13.66 116.12 -162.06 -106.74 125.91 97.76 1.26 0.99 81.69 15.19 0.89 0.63 0.32 0.00 0.53 0.75 9 P C C 89.94 4.12 8.97 15.11 107.67 -116.47 -66.02 142.72 87.36 0.98 11.66 58.20 8.78 20.48 7.55 3.94 0.00 0.52 0.53 10 N C C 102.08 3.59 9.94 15.10 107.84 -119.88 -87.61 96.12 83.75 1.01 15.24 53.61 10.66 19.38 11.20 4.06 0.00 0.43 0.65 11 N C C 95.02 4.37 9.94 15.95 100.33 131.04 -83.71 -5.60 57.80 1.16 41.04 38.55 13.59 5.92 37.86 3.05 0.01 0.40 0.64 12 R H H 150.60 2.62 11.52 15.35 94.36 87.71 -66.51 -36.77 18.20 0.34 81.46 10.83 3.67 4.58 78.45 2.20 0.01 0.15 0.11 13 R H H 143.72 1.77 13.43 15.34 93.08 53.36 -66.51 -39.46 9.03 0.27 90.70 4.94 1.54 3.05 88.00 2.22 0.01 0.16 0.07 14 R H H 108.98 4.59 12.66 18.79 93.06 51.68 -66.59 -39.91 5.19 0.21 94.60 2.69 0.87 2.02 91.93 2.30 0.01 0.14 0.04 15 A H H 43.78 7.29 11.39 20.43 92.40 52.26 -65.17 -38.95 4.36 0.16 95.47 1.91 0.68 2.00 92.94 2.32 0.02 0.10 0.04 16 R H H 152.71 2.13 14.62 17.15 93.94 49.89 -71.50 -36.39 6.42 0.20 93.37 1.98 0.93 3.70 90.64 2.53 0.05 0.12 0.06 17 V H H 92.18 2.60 14.91 17.72 98.57 41.86 -83.33 -37.23 13.23 0.21 86.56 2.28 1.91 9.08 84.40 2.05 0.09 0.09 0.10 18 H H H 101.12 4.84 13.64 19.65 102.18 31.92 -96.73 -11.69 36.15 0.46 63.38 6.05 7.79 22.94 60.98 1.69 0.10 0.15 0.31 19 G C H 26.86 6.17 14.38 22.01 114.47 51.88 6.83 -154.81 54.81 0.74 44.45 23.50 17.15 14.99 40.31 3.33 0.03 0.25 0.44 20 F H H 102.39 7.23 13.44 21.78 94.13 -41.16 -66.22 -35.57 13.73 0.15 86.13 2.72 2.45 8.90 78.63 7.05 0.09 0.07 0.08 21 R H H 135.80 3.08 14.93 18.92 92.34 54.78 -65.08 -39.69 5.24 0.06 94.70 0.98 0.65 3.35 86.09 8.86 0.02 0.04 0.02 22 L H H 81.87 3.58 15.17 19.68 92.56 50.66 -66.19 -39.21 3.35 0.04 96.62 0.54 0.34 2.12 83.99 12.97 0.01 0.02 0.01 23 R H H 99.85 6.74 13.33 21.64 93.09 52.11 -70.07 -29.24 7.76 0.05 92.19 0.85 0.66 5.55 79.46 13.39 0.03 0.03 0.02 24 M H H 84.31 7.37 11.29 20.30 95.57 58.57 -81.48 -5.22 37.65 0.19 62.17 3.84 2.86 29.73 52.05 11.24 0.05 0.08 0.14 25 R C T 170.55 1.55 14.40 16.04 93.94 81.09 -77.40 -17.95 73.84 0.51 25.65 11.34 14.54 47.62 20.71 5.17 0.04 0.16 0.42 26 T C S 64.83 3.83 11.09 16.74 123.60 73.70 -100.47 154.82 95.68 1.71 2.60 14.74 79.34 1.20 2.52 0.21 0.00 0.29 1.72 27 R H H 178.61 1.21 12.84 14.35 92.17 -118.98 -59.62 -37.45 6.72 0.01 93.26 0.71 1.62 4.05 92.76 0.83 0.01 0.00 0.01 28 A H H 72.22 1.54 14.31 15.59 91.90 52.69 -64.12 -39.99 4.82 0.00 95.17 0.34 0.38 3.81 94.47 0.99 0.00 0.00 0.00 29 G H H 20.10 7.39 11.77 21.46 92.15 50.66 -64.85 -40.84 2.64 0.00 97.35 0.44 0.23 1.74 96.45 1.13 0.00 0.00 0.00 30 R H H 122.28 4.54 14.76 20.67 91.58 51.67 -64.12 -40.59 1.25 0.01 98.75 0.40 0.12 0.60 98.47 0.40 0.00 0.00 0.00 31 S H H 64.88 1.64 17.66 18.10 91.98 50.39 -64.70 -41.03 1.62 0.01 98.37 0.44 0.16 0.81 98.43 0.16 0.00 0.00 0.00 32 I H H 82.88 3.39 16.96 20.78 92.22 49.13 -64.47 -42.68 0.76 0.02 99.22 0.29 0.08 0.34 99.19 0.09 0.00 0.01 0.00 33 V H H 49.97 7.44 14.56 23.73 91.93 49.33 -64.17 -42.50 0.29 0.00 99.70 0.08 0.02 0.14 99.71 0.05 0.00 0.00 0.00 34 S H H 51.60 2.83 16.69 19.92 91.37 50.56 -63.26 -41.32 0.47 0.00 99.53 0.08 0.02 0.26 99.55 0.09 0.00 0.00 0.00 35 S H H 54.93 2.08 16.05 17.95 91.66 50.50 -64.17 -41.04 0.92 0.00 99.08 0.11 0.05 0.59 99.06 0.18 0.00 0.00 0.00 36 R H H 106.11 4.69 13.49 19.47 92.35 50.20 -65.52 -40.39 1.91 0.01 98.08 0.33 0.16 1.20 97.90 0.40 0.00 0.00 0.00 37 R H H 129.40 4.17 12.49 18.09 91.94 51.54 -65.37 -39.24 4.92 0.04 95.04 0.97 0.44 3.21 94.47 0.87 0.01 0.02 0.01 38 R H H 176.12 0.89 13.58 13.67 92.02 51.51 -66.68 -32.44 14.06 0.09 85.85 1.35 1.05 11.41 85.02 1.06 0.03 0.04 0.04 39 K C T 142.79 1.50 12.00 13.68 95.20 51.92 -82.46 -9.39 62.60 0.17 37.24 2.28 3.92 53.78 38.33 1.50 0.02 0.06 0.11 40 G C T 47.63 3.44 11.22 15.94 101.14 -81.53 78.80 2.55 83.01 0.27 16.72 10.47 7.94 63.59 15.21 2.52 0.00 0.11 0.16 41 R C C 139.54 4.68 9.20 15.49 103.78 117.61 -78.69 1.47 69.11 1.07 29.82 45.91 9.99 12.96 17.07 12.95 0.00 0.49 0.63 42 R C C 168.23 2.11 10.69 14.07 106.60 92.36 -86.20 40.26 63.34 1.90 34.76 34.25 13.29 16.08 16.17 18.36 0.02 1.01 0.82 43 T C C 102.40 2.10 10.05 13.38 108.00 59.90 -87.42 80.67 62.78 3.69 33.53 37.47 11.58 14.17 14.99 18.29 0.03 2.27 1.21 44 L C C 116.25 3.97 7.12 12.71 107.41 116.46 -87.77 77.77 68.44 5.96 25.60 44.05 12.06 12.36 14.06 11.65 0.03 3.68 2.11 45 S C C 86.56 1.92 8.25 11.72 111.85 104.40 -93.63 125.02 84.05 3.78 12.17 71.77 3.02 10.14 7.78 3.42 0.00 2.39 1.48 46 A C C 84.62 2.82 10.30 14.75 108.31 -122.34 -82.29 108.31 99.83 0.12 0.06 99.64 0.14 0.11 0.03 0.01 0.00 0.07 0.01