# 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 M C C 138.63 2.42 8.81 13.06 115.25 -153.07 -93.70 134.53 99.91 0.07 0.01 99.85 0.07 0.02 0.01 0.00 0.00 0.03 0.01 1 K C C 160.64 1.34 7.27 10.21 117.24 -150.33 -99.55 134.63 93.98 4.44 1.58 92.28 0.87 1.38 0.65 0.50 0.00 2.19 2.13 2 R C C 179.97 1.51 6.64 9.86 115.26 -143.78 -95.10 130.90 91.73 5.20 3.07 77.50 9.03 4.92 0.85 2.26 0.00 3.38 2.05 3 T C C 109.28 1.57 7.26 10.42 113.60 -156.86 -97.03 125.89 92.71 4.36 2.93 64.57 20.68 7.37 0.69 2.43 0.00 2.75 1.52 4 F C C 151.89 2.49 6.99 11.46 117.00 -142.33 -105.19 128.87 92.41 4.99 2.60 63.53 24.21 4.48 0.92 1.71 0.00 2.25 2.90 5 Q C C 135.25 1.78 9.22 12.65 116.87 -159.11 -105.24 129.50 97.47 1.46 1.07 83.54 13.19 0.81 0.79 0.29 0.00 0.66 0.72 6 P C C 85.64 4.70 8.39 15.13 113.78 -110.71 -67.02 148.37 89.29 1.10 9.60 76.68 6.53 5.81 7.98 1.86 0.00 0.53 0.60 7 S C C 64.74 3.43 9.95 15.05 115.10 -122.78 -84.92 147.85 84.25 1.65 14.10 72.42 5.73 5.12 13.13 1.95 0.00 0.67 0.98 8 V H H 104.98 2.60 10.12 14.05 94.57 -122.47 -67.82 -30.61 32.88 1.07 66.04 19.93 9.67 4.87 62.63 2.04 0.02 0.41 0.44 9 L H H 107.36 1.94 11.25 13.89 93.30 57.81 -65.72 -39.70 14.59 0.53 84.88 8.16 2.95 4.37 81.62 2.44 0.02 0.29 0.14 10 K H H 117.08 2.42 12.31 15.59 93.16 51.06 -66.45 -39.61 9.46 0.52 90.02 5.52 1.60 3.20 86.06 3.14 0.02 0.36 0.11 11 R H H 116.89 4.23 11.83 17.69 92.92 52.00 -65.67 -39.90 7.12 0.34 92.54 3.63 1.23 2.85 88.79 3.17 0.02 0.23 0.08 12 N H H 88.94 4.18 12.64 18.27 92.76 50.87 -66.82 -36.96 8.92 0.29 90.79 3.68 1.48 4.24 87.10 3.19 0.03 0.18 0.09 13 R H H 150.01 2.48 13.88 17.00 94.52 49.68 -76.05 -29.94 14.32 0.28 85.40 4.13 2.23 8.31 81.92 3.09 0.05 0.14 0.12 14 S H H 65.64 4.02 13.89 18.84 98.47 54.78 -83.83 -27.95 28.12 0.38 71.50 6.07 4.86 17.70 68.43 2.48 0.09 0.15 0.22 15 H C H 106.13 4.86 13.16 19.19 103.33 40.35 -98.81 -3.25 55.18 0.77 44.05 13.95 14.35 26.80 42.03 2.06 0.07 0.25 0.49 16 G C H 28.21 5.42 14.73 21.50 122.58 -103.06 66.62 -169.65 56.18 0.77 43.06 28.24 19.38 8.58 41.15 1.97 0.01 0.23 0.44 17 F H H 113.75 7.11 12.98 21.17 93.42 -65.75 -64.82 -35.83 8.74 0.10 91.17 2.42 1.73 4.80 88.59 2.30 0.07 0.05 0.05 18 R H H 151.87 1.98 15.46 17.73 91.82 53.28 -64.59 -39.86 3.58 0.05 96.37 0.85 0.48 2.17 93.70 2.73 0.02 0.03 0.01 19 A H H 48.23 3.89 14.94 20.12 92.20 51.43 -65.38 -39.93 2.20 0.02 97.77 0.46 0.25 1.34 93.39 4.53 0.01 0.02 0.01 20 R H H 81.00 8.55 12.66 22.75 92.35 50.94 -67.42 -35.52 3.44 0.02 96.53 0.43 0.30 2.45 91.35 5.43 0.01 0.01 0.01 21 M H H 90.54 5.99 12.42 20.13 92.54 55.60 -72.17 -21.16 20.70 0.05 79.24 1.24 1.15 18.18 73.81 5.52 0.03 0.02 0.03 22 A C T 83.71 1.58 14.61 15.97 93.18 62.35 -78.88 -15.22 67.81 0.17 32.02 4.26 6.42 56.00 29.45 3.62 0.03 0.06 0.15 23 T C S 59.70 4.85 9.74 16.84 122.96 80.01 -94.46 154.02 97.14 0.67 2.19 8.52 87.13 1.23 2.12 0.13 0.00 0.10 0.76 24 K H H 165.83 0.83 13.48 13.66 92.36 -113.56 -60.51 -36.35 24.10 0.04 75.87 0.87 3.49 19.78 73.94 1.82 0.05 0.01 0.03 25 N H H 102.91 1.93 13.93 16.07 93.29 50.70 -66.80 -32.49 21.89 0.02 78.08 1.08 1.65 18.76 76.78 1.69 0.02 0.01 0.02 26 G H H 17.64 9.05 10.66 21.72 92.43 54.82 -63.23 -40.19 5.78 0.02 94.21 1.74 0.72 3.03 93.04 1.45 0.00 0.01 0.01 27 R H H 132.82 3.23 15.29 19.51 91.65 52.23 -64.45 -40.56 1.59 0.01 98.40 0.53 0.17 0.73 98.17 0.39 0.00 0.00 0.00 28 Q H H 108.75 1.50 18.00 18.04 92.13 50.04 -64.93 -41.34 1.12 0.01 98.87 0.39 0.13 0.52 98.73 0.22 0.00 0.01 0.00 29 V H H 60.04 4.62 16.00 21.87 91.76 49.46 -63.88 -43.03 0.51 0.02 99.48 0.22 0.06 0.20 99.43 0.08 0.00 0.01 0.00 30 L H H 56.54 7.54 14.28 23.55 91.77 50.00 -63.34 -41.95 0.18 0.00 99.82 0.04 0.01 0.09 99.82 0.04 0.00 0.00 0.00 31 A H H 56.48 2.29 16.76 18.93 91.50 50.94 -63.23 -41.32 0.24 0.00 99.76 0.03 0.01 0.14 99.77 0.05 0.00 0.00 0.00 32 R H H 132.59 1.64 16.40 17.26 92.03 49.99 -64.99 -40.83 0.44 0.00 99.56 0.05 0.02 0.28 99.56 0.09 0.00 0.00 0.00 33 R H H 96.62 5.68 12.51 19.70 92.12 50.45 -65.22 -40.93 1.12 0.00 98.88 0.18 0.07 0.70 98.82 0.23 0.00 0.00 0.00 34 R H H 139.29 3.04 12.58 16.94 91.65 50.67 -64.41 -39.05 3.24 0.01 96.74 0.48 0.23 2.20 96.34 0.74 0.00 0.01 0.00 35 A H H 86.49 0.93 12.52 12.79 91.64 52.71 -66.97 -31.04 12.29 0.05 87.66 0.77 0.69 10.62 86.95 0.92 0.02 0.02 0.02 36 K C T 145.14 1.39 11.26 12.89 95.14 50.97 -85.60 -6.95 71.55 0.09 28.36 1.22 2.63 65.54 29.39 1.12 0.01 0.03 0.07 37 G C T 52.97 2.44 10.91 14.40 99.26 -102.28 80.64 9.68 92.78 0.17 7.05 7.73 6.06 78.60 6.44 1.01 0.00 0.07 0.09 38 R C C 143.45 3.93 9.07 14.71 107.81 125.49 -87.01 90.78 86.18 1.49 12.33 70.33 8.62 7.43 6.43 5.62 0.00 0.75 0.82 39 A C C 76.27 3.70 9.45 14.83 112.53 85.82 -93.49 136.32 78.52 3.28 18.20 53.21 13.92 11.18 6.71 11.80 0.00 2.11 1.06 40 R C C 176.25 1.65 10.47 13.20 111.78 -140.60 -91.47 124.02 73.67 7.95 18.37 50.23 13.00 10.72 6.35 11.96 0.02 6.05 1.67 41 L C C 120.35 3.53 7.70 13.05 110.95 -151.30 -91.15 117.17 72.20 12.69 15.11 53.42 10.82 8.22 5.59 9.37 0.02 10.53 2.04 42 T C C 102.15 2.06 8.46 12.20 119.68 103.32 -107.28 138.07 73.25 18.52 8.23 57.69 9.21 5.89 4.03 4.22 0.01 16.23 2.72 43 V C C 117.53 2.42 7.11 11.59 113.31 -147.49 -96.12 126.76 80.01 16.12 3.87 73.02 2.92 3.65 2.24 1.40 0.00 14.13 2.63 44 S C C 85.87 2.16 10.35 14.14 116.85 -160.92 -102.92 141.13 99.65 0.32 0.02 99.56 0.12 0.06 0.01 0.00 0.00 0.23 0.02