# 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 Q C C 110.78 3.49 12.25 16.87 106.23 -145.09 -81.92 99.37 99.80 0.07 0.13 99.72 0.08 0.07 0.09 0.01 0.00 0.02 0.01 1 L H H 109.17 2.33 9.40 13.04 94.51 140.19 -67.00 -38.03 30.09 0.35 69.56 26.63 0.91 3.78 66.55 1.83 0.00 0.16 0.13 2 K H H 143.78 1.24 10.24 11.95 93.41 54.25 -65.45 -39.16 11.72 0.24 88.04 5.68 1.95 4.79 83.16 4.17 0.01 0.16 0.07 3 M H H 118.70 1.28 11.35 12.71 92.84 50.27 -66.06 -39.71 7.33 0.25 92.43 3.42 1.18 3.16 86.62 5.38 0.01 0.19 0.05 4 E H H 111.93 1.63 12.39 14.24 92.55 50.59 -65.95 -39.41 6.99 0.18 92.83 3.01 1.11 3.16 87.66 4.89 0.01 0.12 0.04 5 A H H 54.87 2.50 11.97 15.67 92.51 51.40 -65.39 -39.52 13.52 0.21 86.27 4.97 2.18 6.65 82.71 3.28 0.01 0.11 0.09 6 N H H 90.14 2.05 13.56 15.88 93.05 51.85 -66.78 -38.49 23.37 0.20 76.43 9.06 2.57 11.68 74.44 2.05 0.01 0.09 0.11 7 I H H 95.92 2.00 13.75 15.93 92.72 52.16 -65.73 -41.31 9.53 0.09 90.38 4.44 1.57 3.55 89.20 1.17 0.00 0.03 0.03 8 D H H 87.48 1.98 14.13 16.29 92.52 50.69 -66.05 -40.51 6.15 0.06 93.79 3.05 0.81 2.31 92.86 0.92 0.00 0.02 0.02 9 R H H 142.69 1.76 14.16 15.95 92.40 50.99 -65.74 -40.17 3.72 0.03 96.25 1.43 0.49 1.74 95.53 0.78 0.00 0.01 0.01 10 I H H 97.64 1.84 14.55 16.27 92.32 49.81 -65.16 -41.36 2.74 0.03 97.23 1.06 0.36 1.23 96.84 0.49 0.00 0.01 0.01 11 K H H 119.12 1.92 15.07 16.94 92.12 50.44 -65.14 -40.69 2.42 0.03 97.55 0.98 0.29 1.08 97.25 0.37 0.00 0.01 0.01 12 V H H 83.32 2.27 14.78 17.32 92.06 49.66 -64.55 -41.78 1.62 0.01 98.37 0.58 0.19 0.75 98.24 0.24 0.00 0.00 0.00 13 S H H 61.90 2.03 15.55 17.45 91.94 50.40 -64.49 -40.86 1.40 0.01 98.60 0.43 0.12 0.68 98.57 0.19 0.00 0.00 0.00 14 K H H 124.75 1.65 16.58 17.51 92.27 49.54 -65.25 -40.77 1.09 0.00 98.91 0.23 0.10 0.64 98.87 0.15 0.00 0.00 0.00 15 A H H 54.41 2.45 15.40 18.21 91.93 50.27 -64.21 -41.58 0.87 0.00 99.12 0.18 0.07 0.49 99.14 0.11 0.00 0.00 0.00 16 A H H 54.93 2.68 15.25 18.54 91.77 50.60 -63.63 -40.91 0.44 0.00 99.56 0.08 0.02 0.24 99.61 0.06 0.00 0.00 0.00 17 A H H 59.00 2.13 15.97 17.97 91.76 50.76 -63.90 -40.95 0.21 0.00 99.78 0.03 0.01 0.12 99.82 0.03 0.00 0.00 0.00 18 D H H 89.88 1.57 16.31 17.04 92.14 49.84 -65.00 -40.63 0.21 0.00 99.79 0.02 0.01 0.12 99.83 0.02 0.00 0.00 0.00 19 L H H 93.14 2.35 15.06 17.73 91.88 50.31 -64.47 -41.20 0.14 0.00 99.86 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 20 M H H 102.66 2.68 15.03 18.30 91.83 50.48 -64.15 -41.20 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 21 A H H 61.51 1.63 15.99 16.85 91.69 50.38 -63.84 -41.49 0.22 0.00 99.78 0.01 0.00 0.15 99.79 0.04 0.00 0.00 0.00 22 Y H H 131.67 1.64 15.78 16.75 92.08 49.47 -64.32 -41.43 0.39 0.00 99.61 0.03 0.02 0.28 99.60 0.08 0.00 0.00 0.00 23 C H H 59.09 4.19 12.88 18.76 92.18 50.18 -64.41 -41.25 0.49 0.00 99.51 0.05 0.02 0.33 99.47 0.13 0.00 0.00 0.00 24 E H H 116.66 2.18 14.85 17.37 91.75 50.51 -64.39 -40.20 0.97 0.00 99.03 0.06 0.04 0.73 98.85 0.31 0.00 0.00 0.00 25 A H H 68.33 1.29 15.66 15.68 92.09 50.31 -65.80 -38.38 5.01 0.00 94.99 0.11 0.16 4.74 94.30 0.68 0.00 0.00 0.00 26 H H H 105.35 3.04 13.72 17.54 95.79 42.44 -82.69 -20.06 15.98 0.01 84.00 0.56 0.72 14.79 82.46 1.45 0.01 0.00 0.01 27 A H G 41.66 8.23 9.35 19.34 92.30 70.93 -63.25 -35.03 16.98 0.08 82.94 1.82 1.24 11.99 40.67 44.18 0.01 0.04 0.04 28 K H G 154.19 1.32 13.40 14.86 92.00 57.28 -69.04 -27.36 28.10 0.06 71.84 1.02 1.27 24.95 23.59 49.08 0.01 0.03 0.05 29 E H G 152.36 0.81 13.35 12.96 96.87 46.66 -92.60 -5.60 33.38 0.12 66.50 1.81 3.24 27.21 14.33 53.25 0.01 0.06 0.09 30 D C C 58.25 7.35 7.09 16.27 112.03 95.21 -91.42 117.52 99.55 0.34 0.11 73.81 25.44 0.22 0.05 0.04 0.00 0.07 0.36 31 P C T 108.29 1.72 10.30 13.37 92.46 -152.50 -64.01 -23.70 86.46 0.15 13.39 2.08 5.14 77.70 0.90 14.01 0.00 0.07 0.10 32 L C T 128.24 1.50 10.01 12.29 93.80 63.87 -75.25 -12.72 86.03 0.37 13.59 1.78 5.63 77.64 1.10 13.43 0.00 0.20 0.23 33 L C T 106.55 3.84 8.77 14.21 98.31 61.83 -84.57 -9.71 74.09 5.46 20.45 21.35 25.29 27.39 2.24 17.67 0.05 2.25 3.75 34 T C S 92.48 2.70 9.79 14.13 116.56 77.59 -98.57 128.90 91.99 3.44 4.57 31.64 36.41 23.99 0.87 3.71 0.00 1.56 1.82 35 P C S 110.89 1.67 11.25 13.78 108.57 -105.24 -74.28 128.15 98.16 0.71 1.13 38.94 39.10 19.91 0.14 1.19 0.00 0.34 0.37 36 V C C 73.59 6.52 7.25 15.56 117.95 102.08 -98.65 132.93 98.29 1.40 0.32 59.66 38.18 0.54 0.14 0.14 0.00 0.45 0.89 37 P C C 85.86 1.76 12.55 14.53 112.78 -106.84 -65.36 143.58 98.27 1.15 0.57 96.53 1.42 0.49 0.17 0.25 0.00 0.40 0.73 38 A H G 79.09 4.50 7.99 14.47 94.28 -124.01 -60.96 -31.27 41.17 0.38 58.45 5.88 5.94 26.01 1.56 60.30 0.00 0.20 0.12 39 S H G 97.15 0.66 10.99 11.09 94.03 62.30 -72.60 -15.46 41.32 0.20 58.48 3.04 4.32 29.45 1.40 61.62 0.00 0.11 0.06 40 E H G 134.88 1.87 10.64 13.29 99.22 53.68 -90.61 -4.34 37.72 0.50 61.78 8.25 7.84 18.96 1.55 63.00 0.00 0.25 0.15 41 N C C 57.31 8.32 6.60 16.25 111.12 94.47 -94.79 117.16 97.13 0.66 2.21 63.42 31.14 2.21 0.53 1.81 0.00 0.17 0.72 42 P C T 99.42 2.51 10.46 14.61 93.22 -156.35 -65.92 -19.84 94.51 0.22 5.27 10.71 9.97 73.21 0.68 5.17 0.00 0.11 0.15 43 F C T 136.42 3.75 9.08 14.52 96.82 62.60 -85.17 -4.48 93.89 0.41 5.70 21.05 4.36 68.86 0.97 4.29 0.00 0.23 0.23 44 R C C 154.09 4.08 12.13 17.95 102.22 98.69 -71.22 32.40 99.68 0.17 0.16 99.04 0.53 0.22 0.04 0.05 0.00 0.08 0.05