# 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 G C C 41.99 5.31 12.34 18.90 118.35 -134.72 -74.69 167.43 99.37 0.45 0.18 98.96 0.37 0.17 0.11 0.03 0.00 0.24 0.12 1 R C C 167.74 2.31 10.62 14.16 104.24 -56.60 -82.45 3.09 65.81 2.31 31.89 52.46 2.64 10.75 26.97 4.73 0.00 1.19 1.26 2 G C C 52.56 2.19 9.95 13.22 102.40 47.53 -58.59 -30.70 61.06 2.25 36.69 33.67 12.63 15.96 27.91 7.53 0.04 1.18 1.07 3 D C C 101.44 2.45 9.15 12.92 101.96 56.40 -79.73 7.83 53.03 2.63 44.34 37.73 8.23 7.90 34.76 8.85 0.01 1.54 1.00 4 R H H 156.00 2.35 9.75 13.43 98.36 78.41 -73.98 -28.14 40.11 3.66 56.23 24.56 8.22 9.22 44.93 9.53 0.05 2.29 1.19 5 K H H 140.76 1.95 10.57 13.47 98.54 61.97 -78.43 -27.01 44.07 4.02 51.91 26.80 8.36 10.35 42.74 7.84 0.05 2.58 1.28 6 T C H 77.74 3.19 9.91 14.48 105.09 59.01 -84.66 -3.87 53.27 3.48 43.25 32.48 11.68 9.94 36.81 5.68 0.04 1.96 1.40 7 A C H 75.31 2.34 10.53 13.94 96.82 57.42 -69.69 -31.75 54.57 2.34 43.10 29.17 14.52 12.25 36.41 5.29 0.05 1.23 1.07 8 K C H 144.61 1.59 11.16 13.27 96.87 56.19 -73.49 -22.48 52.43 1.45 46.12 12.98 9.60 30.14 36.43 9.21 0.15 0.83 0.66 9 G C H 44.97 3.11 10.85 15.25 98.26 49.65 -66.45 -28.99 55.68 1.48 42.84 16.40 9.19 30.38 33.10 9.30 0.09 0.87 0.66 10 K C C 125.33 3.12 10.47 14.94 101.93 69.87 -79.38 -15.54 57.09 4.66 38.26 33.87 10.92 12.86 29.76 7.93 0.06 2.66 1.94 11 R C C 156.84 2.24 11.09 14.29 103.15 57.41 -80.02 -12.30 57.54 10.93 31.53 36.59 10.68 10.54 25.50 6.05 0.13 6.33 4.16 12 F C C 139.33 2.77 10.24 14.25 103.66 61.05 -85.97 2.76 62.92 8.57 28.51 40.80 11.15 10.70 23.23 5.69 0.09 5.17 3.17 13 N C C 111.04 2.68 10.62 14.60 102.92 67.85 -84.86 3.20 66.58 5.07 28.34 36.70 12.86 16.94 21.10 7.41 0.07 3.13 1.80 14 H C C 138.09 2.58 10.55 14.40 102.30 62.65 -86.18 10.49 67.48 4.86 27.66 32.03 14.92 21.33 17.01 9.89 0.13 2.70 1.98 15 S C C 70.76 4.01 9.02 14.73 109.27 88.30 -93.62 102.10 70.58 6.09 23.34 39.68 14.10 17.16 13.42 9.47 0.08 3.23 2.86 16 F C C 152.70 2.25 9.32 13.04 108.99 64.52 -97.29 89.77 72.53 7.10 20.37 33.64 18.06 22.04 10.75 8.33 0.16 3.24 3.78 17 G C T 53.91 2.15 10.65 14.04 110.46 -14.33 77.53 -117.69 79.96 3.00 17.04 26.00 21.45 33.68 5.45 10.34 0.02 1.56 1.50 18 N C C 126.99 1.65 10.26 12.86 103.58 -6.58 -90.35 25.83 80.61 4.64 14.76 30.50 22.03 29.40 4.19 9.45 0.03 2.39 2.02 19 A C C 80.38 2.69 8.93 13.29 107.48 111.10 -88.15 72.96 78.98 8.21 12.81 42.80 21.38 15.46 4.11 8.08 0.03 4.18 3.95 20 R C C 148.44 3.35 8.75 14.17 117.35 110.25 -95.90 133.20 92.74 6.04 1.22 61.58 30.47 1.17 0.70 0.51 0.00 3.08 2.48 21 P C C 87.70 3.53 9.36 14.82 113.66 -108.34 -67.62 148.32 89.86 5.79 4.35 81.22 4.98 3.33 2.23 1.97 0.00 3.24 3.02 22 K C C 155.38 2.03 9.03 12.52 104.76 -130.49 -80.72 23.66 85.36 3.63 11.01 61.80 14.57 8.30 6.29 4.83 0.00 1.70 2.51 23 N C C 109.20 2.60 8.37 12.56 108.59 84.79 -89.14 98.21 74.40 3.28 22.33 45.46 17.01 11.66 12.06 10.13 0.01 1.56 2.11 24 K C C 154.86 1.96 9.29 12.53 99.97 142.87 -80.04 -11.05 64.62 2.52 32.86 35.00 13.92 16.29 16.60 15.47 0.02 1.26 1.45 25 N C C 113.63 2.35 8.84 12.60 103.08 68.42 -87.56 12.47 65.56 2.56 31.88 37.90 11.53 16.44 16.01 15.31 0.02 1.27 1.51 26 K C C 148.06 2.28 8.77 12.68 104.86 104.16 -82.42 49.26 71.52 1.88 26.60 31.13 13.75 27.08 13.79 12.10 0.04 0.90 1.21 27 G C C 56.54 2.22 9.33 12.99 104.47 -4.02 71.55 7.97 83.72 1.40 14.88 37.01 15.92 31.05 7.41 7.11 0.01 0.68 0.81 28 R C C 172.16 1.71 9.33 12.32 108.06 112.43 -91.70 73.56 89.63 3.14 7.22 52.52 26.15 10.78 4.06 2.96 0.01 1.24 2.29 29 G C C 49.81 2.21 10.48 13.92 123.45 -38.45 112.23 176.94 97.82 1.72 0.46 55.00 41.45 1.48 0.14 0.26 0.00 0.75 0.91 30 P C C 103.52 2.03 10.18 13.54 115.32 -50.89 -73.09 146.40 98.65 1.04 0.31 88.46 9.30 0.89 0.10 0.19 0.00 0.51 0.55 31 P C C 102.30 2.92 8.60 13.52 112.50 -103.64 -66.48 146.18 96.71 1.98 1.30 85.98 7.25 3.23 0.34 1.04 0.00 1.00 1.17 32 K C C 162.27 1.42 8.68 11.55 113.06 -118.45 -87.00 132.82 92.35 6.14 1.51 75.18 13.01 2.97 0.49 1.14 0.00 2.49 4.72 33 A C C 81.79 2.38 7.36 11.64 116.21 -119.49 -85.61 138.69 95.46 3.74 0.80 81.48 12.95 0.99 0.31 0.48 0.00 2.28 1.51 34 P C C 112.54 1.60 8.11 11.09 110.86 -108.45 -70.48 144.22 93.62 4.40 1.97 79.55 10.38 3.48 0.57 1.46 0.00 2.63 1.95 35 I C C 145.30 1.11 7.47 9.65 111.39 -127.12 -90.27 130.43 93.30 5.37 1.34 73.13 17.80 1.93 0.48 0.81 0.00 2.50 3.34 36 F C C 156.11 1.97 6.68 10.49 116.06 -118.81 -96.56 131.81 97.10 2.19 0.71 87.02 9.28 0.76 0.27 0.41 0.00 1.15 1.11 37 P C C 108.03 1.81 7.45 11.00 112.02 -110.39 -70.01 144.82 92.91 3.70 3.39 81.96 5.73 4.60 0.84 2.68 0.00 1.47 2.72 38 K C C 172.32 0.86 8.06 9.70 109.12 -123.37 -84.47 119.25 94.32 1.99 3.69 67.97 15.20 10.70 0.81 3.08 0.00 0.95 1.29 39 G C C 56.08 1.70 8.15 11.20 117.09 -111.91 -90.34 169.95 95.39 1.93 2.68 61.01 27.18 6.98 0.72 1.93 0.00 0.81 1.37 40 D C C 103.08 2.04 8.40 11.96 115.03 -94.47 -86.54 140.57 97.33 0.69 1.98 82.57 13.57 1.26 1.23 0.61 0.00 0.27 0.51 41 P C C 106.10 2.15 7.91 11.75 97.99 -115.99 -64.37 -25.82 62.58 0.70 36.73 38.27 6.74 17.93 16.92 19.35 0.00 0.34 0.44 42 S C C 85.83 1.45 7.92 10.48 101.50 58.96 -78.05 -3.58 55.80 1.30 42.90 31.22 7.08 17.90 20.36 22.07 0.02 0.68 0.66 43 Q H C 128.47 1.94 7.24 10.63 103.64 61.72 -80.78 5.09 47.11 2.23 50.66 31.04 7.02 9.87 23.53 26.41 0.01 1.31 0.81 44 K C C 155.37 1.55 7.24 10.08 104.47 65.21 -84.90 17.76 57.81 2.75 39.44 36.54 9.34 12.35 23.73 15.31 0.03 1.52 1.19 45 E C C 150.78 1.29 7.14 9.61 105.40 61.54 -86.94 49.86 73.53 2.05 24.42 57.84 2.84 14.56 14.73 7.83 0.01 1.18 1.01 46 D C C 113.25 2.02 9.27 12.70 105.73 68.06 -83.07 72.27 99.24 0.13 0.63 98.11 0.37 0.87 0.44 0.09 0.00 0.08 0.04