#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a1f s GLN 3 N 0.00 3.04 0.27 4.33 -0.21 -1.26 -4.99 119.66 120.84 2a1f s GLN 3 Ca 0.00 -0.80 -0.29 0.00 0.02 0.00 0.00 55.36 54.29 2a1f s GLN 3 Cb 0.00 -2.73 -0.09 0.00 1.00 0.00 0.00 33.01 31.18 2a1f s GLN 3 CO 0.00 0.49 1.21 -1.25 -2.12 0.00 0.00 175.29 173.62 2a1f s PRO 4 N -3.13 4.50 0.00 2.91 0.04 -1.26 -4.44 135.00 133.61 2a1f s PRO 4 Ca 0.32 1.97 0.27 0.00 0.04 0.00 0.00 61.00 63.60 2a1f s PRO 4 Cb -0.10 -3.16 0.78 0.00 0.04 0.00 0.00 34.50 32.05 2a1f s PRO 4 CO 0.25 -0.02 1.58 0.44 0.04 0.00 0.00 177.00 179.29 2a1f n ILE 5 N 1.46 0.00 -4.33 0.56 -5.35 0.19 -4.93 119.36 106.96 2a1f n ILE 5 Ca 0.01 -0.21 -0.26 0.00 -0.27 0.00 0.00 62.75 62.02 2a1f n ILE 5 Cb 0.44 0.58 -0.13 0.00 -1.74 0.00 0.00 39.64 38.79 2a1f n ILE 5 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 2a1f s TYR 6 N -2.27 2.01 -0.14 4.28 1.51 -1.26 -5.05 117.35 116.44 2a1f s TYR 6 Ca 0.30 -0.40 0.05 0.00 -1.01 0.00 0.00 57.07 56.00 2a1f s TYR 6 Cb 0.20 -1.09 -0.23 0.00 -0.11 0.00 0.00 41.96 40.73 2a1f s TYR 6 CO 0.43 0.28 0.28 1.63 -1.11 0.00 0.00 175.55 177.06 2a1f n LYS 7 N 0.94 0.69 -3.72 -0.62 5.02 -1.26 -4.79 118.16 114.42 2a1f n LYS 7 Ca -0.18 0.20 -0.13 0.00 -2.02 0.00 0.00 58.31 56.18 2a1f n LYS 7 Cb 0.54 -1.66 -0.14 0.00 -0.02 0.00 0.00 35.03 33.75 2a1f n LYS 7 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2a1f s ARG 8 N -2.55 0.15 0.20 1.97 3.52 -1.26 -1.49 118.95 119.49 2a1f s ARG 8 Ca -0.18 0.52 0.10 0.00 -0.13 0.00 0.00 55.73 56.04 2a1f s ARG 8 Cb 0.07 -0.14 -0.04 0.00 -1.56 0.00 0.00 34.95 33.28 2a1f s ARG 8 CO 0.76 -0.19 -0.20 0.96 -0.81 0.00 0.00 175.30 175.82 2a1f s ILE 9 N 1.50 2.08 -0.24 4.11 -4.36 -0.30 -0.24 121.20 123.75 2a1f s ILE 9 Ca -0.07 -2.08 -0.00 0.00 -0.26 0.00 0.00 60.65 58.24 2a1f s ILE 9 Cb -0.11 -2.03 0.03 0.00 1.25 0.00 0.00 42.46 41.60 2a1f s ILE 9 CO -0.08 -0.31 -0.10 -0.22 0.24 0.00 0.00 174.94 174.47 2a1f s LEU 10 N -2.91 3.03 -0.34 0.37 0.20 -0.77 -2.00 118.68 116.27 2a1f s LEU 10 Ca 0.21 -0.95 -0.17 0.00 0.69 0.00 0.00 54.13 53.91 2a1f s LEU 10 Cb -0.06 -1.60 -0.01 0.00 -0.43 0.00 0.00 46.19 44.10 2a1f s LEU 10 CO 0.09 -0.12 0.44 -0.22 -0.29 0.00 0.00 176.35 176.25 2a1f s LEU 11 N 1.27 4.37 -0.28 -0.68 2.96 -0.21 -0.55 118.68 125.56 2a1f s LEU 11 Ca -0.01 -0.09 -0.11 0.00 -0.22 0.00 0.00 54.13 53.70 2a1f s LEU 11 Cb -0.17 -2.47 -0.05 0.00 0.50 0.00 0.00 46.19 44.01 2a1f s LEU 11 CO -0.06 -0.40 0.18 -0.75 -1.32 0.00 0.00 176.35 174.00 2a1f s LYS 12 N 2.20 3.91 -0.08 1.98 2.36 0.44 -0.85 119.74 129.69 2a1f s LYS 12 Ca 0.15 -0.34 0.04 0.00 -2.55 0.00 0.00 55.97 53.27 2a1f s LYS 12 Cb -0.16 -3.62 -0.01 0.00 -1.05 0.00 0.00 37.83 32.98 2a1f s LYS 12 CO 0.12 -0.18 -0.19 -0.51 1.55 0.00 0.00 175.35 176.13 2a1f s LEU 13 N 1.74 2.40 0.72 5.43 1.43 -0.05 -1.48 118.68 128.87 2a1f s LEU 13 Ca 0.07 -0.40 -0.13 0.00 -1.03 0.00 0.00 54.13 52.64 2a1f s LEU 13 Cb -0.16 -1.48 0.03 0.00 0.03 0.00 0.00 46.19 44.61 2a1f s LEU 13 CO 0.10 0.24 1.13 -0.94 0.23 0.00 0.00 176.35 177.10 2a1f s SER 14 N -0.10 4.60 0.45 2.29 1.04 -1.26 -1.35 113.70 119.37 2a1f s SER 14 Ca -0.04 2.04 0.12 0.00 0.48 0.00 0.00 55.95 58.55 2a1f s SER 14 Cb -0.14 -2.55 1.04 0.00 0.10 0.00 0.00 66.02 64.47 2a1f s SER 14 CO 0.04 -1.97 2.05 1.23 0.98 0.00 0.00 173.24 175.57 2a1f h GLY 15 N -0.48 0.41 2.00 7.32 0.00 -1.90 -2.06 103.07 108.36 2a1f h GLY 15 Ca -0.46 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 46.73 2a1f h GLY 15 CO 0.51 0.12 0.00 0.83 0.00 0.00 0.00 176.54 178.00 2a1f h GLU 16 N 0.35 0.00 0.00 4.80 3.07 -1.90 -0.35 114.58 120.56 2a1f h GLU 16 Ca 0.17 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 59.00 2a1f h GLU 16 Cb 0.22 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.12 2a1f h GLU 16 CO -0.04 0.00 -0.13 0.00 -1.40 0.00 0.00 179.01 177.44 2a1f h ALA 17 N 2.00 1.43 0.00 3.43 0.00 -1.74 -2.99 119.26 121.40 2a1f h ALA 17 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2a1f h ALA 17 Cb 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2a1f h ALA 17 CO 0.00 0.17 -0.38 1.28 0.00 0.00 0.00 179.25 180.32 2a1f n LEU 18 N -3.87 0.62 -4.81 0.00 4.77 -0.14 -4.92 117.00 108.66 2a1f n LEU 18 Ca -0.02 0.31 -0.32 0.00 -0.03 0.00 0.00 56.01 55.95 2a1f n LEU 18 Cb 0.23 -0.26 0.02 0.00 -2.33 0.00 0.00 43.42 41.07 2a1f n LEU 18 CO 0.32 -0.05 0.71 -1.10 -1.33 0.00 0.00 177.39 175.94 2a1f s GLN 19 N -3.11 3.27 0.15 3.23 -0.21 -1.13 -1.34 119.66 120.53 2a1f s GLN 19 Ca 0.09 1.15 0.02 0.00 0.02 0.00 0.00 55.36 56.64 2a1f s GLN 19 Cb 0.14 -2.03 0.02 0.00 1.00 0.00 0.00 33.01 32.15 2a1f s GLN 19 CO 0.66 -0.85 0.19 0.41 -2.12 0.00 0.00 175.29 173.59 2a1f n GLY 20 N -1.19 2.12 0.34 3.09 0.00 -1.26 -4.79 105.19 103.50 2a1f n GLY 20 Ca 0.08 -2.16 0.21 0.00 0.00 0.00 0.00 46.02 44.15 2a1f n GLY 20 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2a1f h GLU 21 N 0.00 0.00 0.00 1.61 -0.00 -1.98 -2.41 114.58 111.79 2a1f h GLU 21 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.28 2a1f h GLU 21 Cb 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.08 2a1f h GLU 21 CO 0.11 0.00 0.00 -0.25 -0.00 0.00 0.00 179.01 178.87 2a1f n ASP 22 N -3.04 0.00 0.00 3.06 9.92 -1.26 -4.91 116.55 120.32 2a1f n ASP 22 Ca -0.03 0.11 0.00 0.00 -0.53 0.00 0.00 54.79 54.34 2a1f n ASP 22 Cb 0.14 -0.33 0.00 0.00 -0.64 0.00 0.00 41.12 40.28 2a1f n ASP 22 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2a1f n GLY 23 N 0.48 1.48 3.55 0.44 0.00 -0.91 -4.99 105.19 105.24 2a1f n GLY 23 Ca 0.09 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 2a1f n GLY 23 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2a1f s LEU 24 N 0.00 0.42 0.00 0.99 2.96 -1.26 -4.99 118.68 116.80 2a1f s LEU 24 Ca 0.00 -0.99 0.00 0.00 -0.22 0.00 0.00 54.13 52.92 2a1f s LEU 24 Cb 0.00 1.61 0.00 0.00 0.50 0.00 0.00 46.19 48.30 2a1f s LEU 24 CO 0.00 -1.11 0.00 0.61 -1.32 0.00 0.00 176.35 174.53 2a1f n GLY 25 N -0.37 -0.63 3.20 7.98 0.00 -0.52 -4.37 105.19 110.47 2a1f n GLY 25 Ca -0.01 -1.13 -0.33 0.00 0.00 0.00 0.00 46.02 44.55 2a1f n GLY 25 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2a1f s ILE 26 N 0.00 2.37 -0.47 -0.61 1.01 -1.26 -3.96 121.20 118.27 2a1f s ILE 26 Ca 0.00 -0.86 -0.21 0.00 0.00 0.00 0.00 60.65 59.58 2a1f s ILE 26 Cb 0.00 -1.99 0.04 0.00 0.01 0.00 0.00 42.46 40.52 2a1f s ILE 26 CO 0.00 0.53 0.67 -0.62 0.00 0.00 0.00 174.94 175.52 2a1f s ASP 27 N 0.96 6.29 0.37 3.58 3.68 -0.45 -4.95 116.67 126.16 2a1f s ASP 27 Ca -0.03 -0.52 0.11 0.00 2.13 0.00 0.00 52.55 54.24 2a1f s ASP 27 Cb -0.15 -2.32 0.89 0.00 -1.45 0.00 0.00 42.92 39.89 2a1f s ASP 27 CO -0.04 -0.87 1.88 -0.65 0.13 0.00 0.00 175.17 175.62 2a1f h PRO 28 N 8.96 0.59 -0.56 4.34 0.11 -1.99 -1.26 132.00 142.20 2a1f h PRO 28 Ca -0.26 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 65.71 2a1f h PRO 28 Cb 1.09 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.05 2a1f h PRO 28 CO 0.94 0.39 -0.05 0.00 -0.21 0.00 0.00 178.00 179.07 2a1f h ALA 29 N 1.61 0.87 -0.14 -0.75 0.00 -1.96 -1.17 119.26 117.72 2a1f h ALA 29 Ca 0.44 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 2a1f h ALA 29 Cb 0.79 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 2a1f h ALA 29 CO -0.19 0.65 -0.06 0.82 0.00 0.00 0.00 179.25 180.48 2a1f h ILE 30 N 0.90 1.31 -0.49 0.00 2.04 -1.62 -2.14 117.51 117.50 2a1f h ILE 30 Ca 0.15 -1.07 0.08 0.00 1.00 0.00 0.00 64.86 65.02 2a1f h ILE 30 Cb 0.59 1.72 -0.07 0.00 -0.74 0.00 0.00 36.82 38.32 2a1f h ILE 30 CO 0.04 0.31 0.12 0.25 0.00 0.00 0.00 178.15 178.87 2a1f h LEU 31 N -0.04 0.05 -0.91 1.44 5.85 -1.23 -1.50 115.31 118.97 2a1f h LEU 31 Ca 0.03 0.08 -0.11 0.00 0.84 0.00 0.00 57.88 58.72 2a1f h LEU 31 Cb 0.51 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 2a1f h LEU 31 CO 0.02 0.06 -0.42 0.44 -0.34 0.00 0.00 178.44 178.20 2a1f h ASP 32 N 0.27 0.28 -0.44 1.25 3.45 -1.18 -1.78 116.42 118.26 2a1f h ASP 32 Ca 0.24 -0.12 -0.01 0.00 0.43 0.00 0.00 57.03 57.57 2a1f h ASP 32 Cb 0.31 -0.08 -0.02 0.00 -0.56 0.00 0.00 39.33 38.98 2a1f h ASP 32 CO -0.30 0.67 0.23 -0.09 -1.57 0.00 0.00 179.24 178.17 2a1f h ARG 33 N 0.22 0.63 -1.00 3.56 1.12 -0.87 -1.96 114.38 116.08 2a1f h ARG 33 Ca 0.02 -0.09 0.02 0.00 -1.11 0.00 0.00 59.98 58.82 2a1f h ARG 33 Cb 0.83 -0.12 -0.05 0.00 -0.01 0.00 0.00 29.97 30.62 2a1f h ARG 33 CO 0.07 0.53 0.66 0.52 -3.11 0.00 0.00 179.97 178.64 2a1f h MET 34 N 0.58 1.30 -0.74 0.20 2.86 -1.00 -1.27 114.93 116.86 2a1f h MET 34 Ca 0.15 -0.08 -0.06 0.00 -2.06 0.00 0.00 59.70 57.66 2a1f h MET 34 Cb 0.09 -0.29 -0.03 0.00 0.06 0.00 0.00 31.60 31.43 2a1f h MET 34 CO -0.02 0.86 0.23 0.00 1.06 0.00 0.00 176.91 179.04 2a1f h ALA 35 N 1.38 1.01 -0.37 6.32 0.00 -1.01 -0.50 119.26 126.10 2a1f h ALA 35 Ca 0.38 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 2a1f h ALA 35 Cb -0.12 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 2a1f h ALA 35 CO -0.09 0.66 -0.32 0.28 0.00 0.00 0.00 179.25 179.78 2a1f h VAL 36 N 1.10 1.28 -0.67 0.00 2.07 -1.09 -0.32 116.25 118.61 2a1f h VAL 36 Ca 0.24 -1.49 0.03 0.00 0.82 0.00 0.00 66.70 66.30 2a1f h VAL 36 Cb 0.30 1.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.45 2a1f h VAL 36 CO -0.01 0.49 0.44 -0.33 0.02 0.00 0.00 177.57 178.19 2a1f h GLU 37 N 0.67 0.79 -0.04 1.57 5.08 -0.95 -1.49 114.58 120.20 2a1f h GLU 37 Ca 0.06 -0.05 -0.23 0.00 -1.00 0.00 0.00 59.36 58.15 2a1f h GLU 37 Cb 0.91 -0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.99 2a1f h GLU 37 CO 0.08 0.52 -0.90 0.82 -1.00 0.00 0.00 179.01 178.53 2a1f h ILE 38 N 0.82 1.34 -0.86 3.13 2.04 -0.97 -3.11 117.51 119.89 2a1f h ILE 38 Ca 0.27 -2.25 0.07 0.00 1.00 0.00 0.00 64.86 63.95 2a1f h ILE 38 Cb 0.05 2.27 -0.07 0.00 -0.74 0.00 0.00 36.82 38.34 2a1f h ILE 38 CO -0.07 0.69 0.52 0.50 0.00 0.00 0.00 178.15 179.78 2a1f h LYS 39 N 0.34 0.90 -0.03 2.37 3.64 -0.62 -1.75 116.57 121.42 2a1f h LYS 39 Ca -0.08 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.14 2a1f h LYS 39 Cb 1.53 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 33.14 2a1f h LYS 39 CO 0.17 0.59 -0.48 1.05 -2.27 0.00 0.00 179.45 178.51 2a1f h GLU 40 N 0.92 0.06 -0.34 1.90 4.11 -1.23 -1.07 114.58 118.94 2a1f h GLU 40 Ca 0.39 -0.03 -0.05 0.00 0.07 0.00 0.00 59.36 59.74 2a1f h GLU 40 Cb 0.24 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2a1f h GLU 40 CO -0.20 0.53 0.04 -0.07 0.07 0.00 0.00 179.01 179.38 2a1f h LEU 41 N 0.05 0.56 -0.49 3.06 3.38 -1.44 -2.18 115.31 118.26 2a1f h LEU 41 Ca -0.00 -0.28 0.05 0.00 0.09 0.00 0.00 57.88 57.74 2a1f h LEU 41 Cb 0.86 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.42 2a1f h LEU 41 CO 0.06 0.70 0.23 0.58 0.09 0.00 0.00 178.44 180.11 2a1f h VAL 42 N 0.41 0.94 0.00 1.22 2.07 -0.90 -1.57 116.25 118.42 2a1f h VAL 42 Ca 0.10 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.46 2a1f h VAL 42 Cb 0.39 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 2a1f h VAL 42 CO 0.01 0.08 0.00 -1.84 0.02 0.00 0.00 177.57 175.84 2a1f n GLU 43 N -4.91 0.06 0.00 1.57 0.28 -0.44 -1.27 120.64 115.93 2a1f n GLU 43 Ca 0.04 0.12 0.14 0.00 -0.16 0.00 0.00 57.16 57.29 2a1f n GLU 43 Cb 0.14 -1.58 0.64 0.00 1.43 0.00 0.00 31.44 32.07 2a1f n GLU 43 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 2a1f n MET 44 N -1.70 0.17 -0.18 3.44 2.81 -0.66 -4.95 117.12 116.06 2a1f n MET 44 Ca 0.06 0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.97 2a1f n MET 44 Cb 0.32 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.33 2a1f n MET 44 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2a1f n GLY 45 N 1.25 0.68 3.73 3.03 0.00 -0.40 -4.84 105.19 108.65 2a1f n GLY 45 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 2a1f n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2a1f s VAL 46 N -2.27 4.14 -0.17 1.61 1.01 -0.80 -4.98 120.40 118.93 2a1f s VAL 46 Ca 0.00 1.79 -0.25 0.00 0.00 0.00 0.00 61.98 63.52 2a1f s VAL 46 Cb 0.00 -4.14 -0.02 0.00 0.00 0.00 0.00 36.38 32.22 2a1f s VAL 46 CO 0.00 0.28 0.81 -1.61 0.00 0.00 0.00 175.10 174.58 2a1f s GLU 47 N -0.12 4.29 -0.15 2.72 2.02 -0.56 -4.13 118.70 122.78 2a1f s GLU 47 Ca 0.49 0.97 0.02 0.00 0.02 0.00 0.00 54.97 56.47 2a1f s GLU 47 Cb -0.27 -3.57 0.01 0.00 0.10 0.00 0.00 34.13 30.40 2a1f s GLU 47 CO 0.32 -0.32 -0.20 0.08 0.02 0.00 0.00 175.26 175.16 2a1f s VAL 48 N 2.13 1.98 0.18 2.63 1.01 -1.26 -1.15 120.40 125.91 2a1f s VAL 48 Ca 0.37 -0.92 0.08 0.00 0.00 0.00 0.00 61.98 61.52 2a1f s VAL 48 Cb -0.16 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 2a1f s VAL 48 CO 0.12 0.53 -0.07 -0.94 0.00 0.00 0.00 175.10 174.75 2a1f s SER 49 N 0.97 4.41 -0.04 3.32 1.04 -0.85 -2.14 113.70 120.41 2a1f s SER 49 Ca -0.04 -0.53 0.02 0.00 0.48 0.00 0.00 55.95 55.89 2a1f s SER 49 Cb -0.15 -0.81 0.02 0.00 0.10 0.00 0.00 66.02 65.18 2a1f s SER 49 CO -0.05 0.10 -0.07 -0.69 0.98 0.00 0.00 173.24 173.51 2a1f s VAL 50 N -1.72 0.73 -0.19 5.02 1.01 0.42 -1.05 120.40 124.62 2a1f s VAL 50 Ca 0.26 -0.26 -0.04 0.00 0.00 0.00 0.00 61.98 61.94 2a1f s VAL 50 Cb -0.09 -0.70 -0.02 0.00 0.00 0.00 0.00 36.38 35.58 2a1f s VAL 50 CO 0.16 0.26 -0.04 -0.69 0.00 0.00 0.00 175.10 174.78 2a1f s VAL 51 N 0.65 3.59 -0.07 2.92 1.01 -0.03 -0.28 120.40 128.20 2a1f s VAL 51 Ca -0.10 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 61.45 2a1f s VAL 51 Cb -0.13 -2.60 -0.03 0.00 0.00 0.00 0.00 36.38 33.62 2a1f s VAL 51 CO 0.01 0.46 -0.10 -0.76 0.00 0.00 0.00 175.10 174.71 2a1f s LEU 52 N 0.91 2.97 0.00 3.92 1.43 -1.25 -0.87 118.68 125.80 2a1f s LEU 52 Ca -0.00 -0.11 -0.08 0.00 -1.03 0.00 0.00 54.13 52.90 2a1f s LEU 52 Cb -0.15 -1.64 0.15 0.00 0.03 0.00 0.00 46.19 44.59 2a1f s LEU 52 CO 0.01 0.33 0.96 0.61 0.23 0.00 0.00 176.35 178.50 2a1f n GLY 53 N 2.41 -0.56 0.00 -3.19 0.00 -0.46 -4.82 105.19 98.56 2a1f n GLY 53 Ca -0.18 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.01 2a1f n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a1f n GLY 54 N -1.66 0.56 0.30 -0.02 0.00 -1.26 -3.54 105.19 99.56 2a1f n GLY 54 Ca 0.13 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.33 2a1f n GLY 54 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2a1f h GLY 55 N 0.00 0.00 2.00 -0.02 0.00 -1.88 -0.85 103.07 102.32 2a1f h GLY 55 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 2a1f h GLY 55 CO 0.00 0.00 -0.02 3.45 0.00 0.00 0.00 176.54 179.97 2a1f h ASN 56 N 0.00 0.00 0.00 0.19 -1.07 -1.89 -3.35 115.58 109.45 2a1f h ASN 56 Ca -0.00 0.00 -0.14 0.00 0.07 0.00 0.00 56.30 56.23 2a1f h ASN 56 Cb 0.26 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.49 2a1f h ASN 56 CO 0.00 0.02 -1.53 0.18 0.07 0.00 0.00 177.43 176.18 2a1f n LEU 57 N -3.15 0.43 -3.70 6.14 4.77 -0.44 -1.44 117.00 119.60 2a1f n LEU 57 Ca -0.01 -0.01 -0.21 0.00 -0.03 0.00 0.00 56.01 55.76 2a1f n LEU 57 Cb 0.24 0.11 -0.18 0.00 -2.33 0.00 0.00 43.42 41.26 2a1f n LEU 57 CO 0.26 0.26 -0.35 0.12 -1.33 0.00 0.00 177.39 176.34 2a1f s PHE 58 N -2.19 0.24 -0.23 -1.77 5.36 -0.51 -4.99 117.98 113.90 2a1f s PHE 58 Ca -0.05 0.13 -0.02 0.00 -0.96 0.00 0.00 56.93 56.03 2a1f s PHE 58 Cb 0.02 -0.58 0.01 0.00 -0.34 0.00 0.00 43.02 42.14 2a1f s PHE 58 CO 0.30 -0.23 -0.07 1.03 -1.46 0.00 0.00 175.22 174.79 2a1f s ARG 59 N 2.11 3.08 0.00 10.12 1.81 -1.26 -4.23 118.95 130.57 2a1f s ARG 59 Ca 0.05 -0.81 0.28 0.00 -1.72 0.00 0.00 55.73 53.53 2a1f s ARG 59 Cb -0.12 -2.95 1.04 0.00 -0.45 0.00 0.00 34.95 32.47 2a1f s ARG 59 CO -0.04 -0.29 1.74 0.41 -0.68 0.00 0.00 175.30 176.44 2a1f n GLY 60 N 4.72 -0.08 0.22 -3.53 0.00 -1.26 -4.54 105.19 100.72 2a1f n GLY 60 Ca -0.18 -0.44 -0.06 0.00 0.00 0.00 0.00 46.02 45.34 2a1f n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a1f h ALA 61 N 4.28 0.68 -0.24 4.61 0.00 -1.98 -0.03 119.26 126.58 2a1f h ALA 61 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2a1f h ALA 61 Cb 0.49 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2a1f h ALA 61 CO 0.00 0.09 0.10 0.87 0.00 0.00 0.00 179.25 180.31 2a1f h LYS 62 N 0.70 0.35 -0.33 0.00 1.57 -2.00 -0.38 116.57 116.48 2a1f h LYS 62 Ca 0.20 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.83 2a1f h LYS 62 Cb -0.05 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 2a1f h LYS 62 CO -0.06 0.39 -0.17 -0.07 -0.57 0.00 0.00 179.45 178.97 2a1f h LEU 63 N 0.23 0.60 -0.85 2.94 3.38 -1.81 -1.75 115.31 118.05 2a1f h LEU 63 Ca 0.08 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 2a1f h LEU 63 Cb 0.17 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 2a1f h LEU 63 CO -0.01 0.79 0.48 0.00 0.09 0.00 0.00 178.44 179.79 2a1f h ALA 64 N 1.27 1.09 -0.82 1.53 0.00 -0.83 0.52 119.26 122.01 2a1f h ALA 64 Ca 0.09 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2a1f h ALA 64 Cb 0.61 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 2a1f h ALA 64 CO 0.04 0.58 0.48 -0.22 0.00 0.00 0.00 179.25 180.13 2a1f h LYS 65 N 1.18 1.13 0.00 0.00 1.63 -0.67 -2.04 116.57 117.80 2a1f h LYS 65 Ca 0.30 -0.12 0.00 0.00 -0.85 0.00 0.00 60.65 59.98 2a1f h LYS 65 Cb 0.01 -0.23 0.00 0.00 -0.60 0.00 0.00 32.23 31.41 2a1f h LYS 65 CO -0.05 0.81 0.00 0.00 -3.45 0.00 0.00 179.45 176.76 2a1f n ALA 66 N -2.37 1.85 0.00 5.00 0.00 -0.69 -4.87 120.51 119.43 2a1f n ALA 66 Ca 0.08 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2a1f n ALA 66 Cb 0.07 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.23 2a1f n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a1f n GLY 67 N 0.39 1.18 3.75 0.00 0.00 -0.77 -5.08 105.19 104.67 2a1f n GLY 67 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 2a1f n GLY 67 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2a1f s MET 68 N -0.29 4.14 0.21 1.61 -2.45 0.12 -4.92 119.30 117.74 2a1f s MET 68 Ca 0.00 2.53 -0.32 0.00 -1.25 0.00 0.00 55.69 56.65 2a1f s MET 68 Cb 0.00 -3.03 -0.13 0.00 1.25 0.00 0.00 34.83 32.92 2a1f s MET 68 CO 0.00 -0.59 1.62 -1.71 1.05 0.00 0.00 175.02 175.39 2a1f n ASN 69 N 2.11 3.56 0.19 1.11 5.15 -1.26 -4.62 115.26 121.51 2a1f n ASN 69 Ca 0.08 1.09 0.03 0.00 -0.60 0.00 0.00 54.58 55.18 2a1f n ASN 69 Cb 0.38 -1.52 0.37 0.00 -0.53 0.00 0.00 39.78 38.48 2a1f n ASN 69 CO 0.00 0.00 0.00 -0.09 1.40 0.00 0.00 177.26 178.57 2a1f h ARG 70 N 5.85 0.00 -0.45 1.20 9.65 -1.98 -1.83 114.38 126.83 2a1f h ARG 70 Ca -0.45 0.00 0.08 0.00 -1.10 0.00 0.00 59.98 58.51 2a1f h ARG 70 Cb 1.23 0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 29.75 2a1f h ARG 70 CO 0.88 0.36 0.06 0.28 2.80 0.00 0.00 179.97 184.36 2a1f h VAL 71 N 0.00 0.73 -0.30 0.20 2.07 -1.99 -0.42 116.25 116.53 2a1f h VAL 71 Ca -0.00 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 2a1f h VAL 71 Cb 0.65 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 2a1f h VAL 71 CO 0.05 0.03 0.09 0.58 0.02 0.00 0.00 177.57 178.35 2a1f h VAL 72 N 0.19 1.20 -0.81 2.57 2.07 -1.74 -0.99 116.25 118.74 2a1f h VAL 72 Ca 0.22 -0.65 0.09 0.00 0.82 0.00 0.00 66.70 67.18 2a1f h VAL 72 Cb 0.29 1.06 -0.07 0.00 -1.52 0.00 0.00 31.29 31.05 2a1f h VAL 72 CO -0.31 0.22 0.46 1.23 0.02 0.00 0.00 177.57 179.19 2a1f h GLY 73 N 0.33 1.25 1.14 2.17 0.00 -1.25 -1.12 103.07 105.60 2a1f h GLY 73 Ca 0.10 -0.31 -0.12 0.00 0.00 0.00 0.00 47.33 47.00 2a1f h GLY 73 CO -0.00 0.13 -0.13 -0.55 0.00 0.00 0.00 176.54 175.99 2a1f h ASP 74 N 0.78 1.00 -0.51 0.19 3.32 -0.73 -1.69 116.42 118.78 2a1f h ASP 74 Ca 0.39 -0.34 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 2a1f h ASP 74 Cb 0.35 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 2a1f h ASP 74 CO -0.24 1.12 0.27 0.45 -1.72 0.00 0.00 179.24 179.11 2a1f h HIS 75 N 0.88 0.72 -0.21 4.55 3.86 -0.66 -0.80 115.15 123.49 2a1f h HIS 75 Ca 0.13 -0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.36 2a1f h HIS 75 Cb 0.69 -0.23 -0.04 0.00 1.06 0.00 0.00 27.41 28.89 2a1f h HIS 75 CO 0.04 0.55 -0.06 0.52 0.86 0.00 0.00 177.93 179.85 2a1f h MET 76 N 0.68 -0.00 -0.98 2.45 2.86 -1.14 -1.76 114.93 117.04 2a1f h MET 76 Ca 0.18 0.00 0.10 0.00 -2.06 0.00 0.00 59.70 57.92 2a1f h MET 76 Cb 0.08 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 31.66 2a1f h MET 76 CO -0.03 -0.00 0.61 0.78 1.06 0.00 0.00 176.91 179.33 2a1f h GLY 77 N -0.01 1.56 1.04 8.32 0.00 -0.93 -1.68 103.07 111.38 2a1f h GLY 77 Ca 0.10 -0.42 -0.08 0.00 0.00 0.00 0.00 47.33 46.93 2a1f h GLY 77 CO -0.22 0.20 0.06 -0.33 0.00 0.00 0.00 176.54 176.25 2a1f h MET 78 N 1.02 1.00 -0.67 4.80 2.86 -0.66 -2.26 114.93 121.01 2a1f h MET 78 Ca 0.47 -0.29 -0.01 0.00 -2.06 0.00 0.00 59.70 57.81 2a1f h MET 78 Cb 0.38 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.91 2a1f h MET 78 CO -0.24 0.96 0.39 -0.07 1.06 0.00 0.00 176.91 179.01 2a1f h LEU 79 N 0.90 0.83 -1.48 1.22 3.38 -0.85 -2.55 115.31 116.75 2a1f h LEU 79 Ca 0.17 -0.08 0.06 0.00 0.09 0.00 0.00 57.88 58.13 2a1f h LEU 79 Cb 0.47 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 2a1f h LEU 79 CO 0.02 0.66 0.43 0.00 0.09 0.00 0.00 178.44 179.64 2a1f h ALA 80 N 1.20 1.78 -0.07 1.53 0.00 -1.13 -1.69 119.26 120.88 2a1f h ALA 80 Ca 0.24 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 2a1f h ALA 80 Cb 0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2a1f h ALA 80 CO -0.04 0.11 -0.31 1.79 0.00 0.00 0.00 179.25 180.80 2a1f h THR 81 N 0.64 1.25 -0.35 0.00 1.35 -0.98 -2.44 112.91 112.37 2a1f h THR 81 Ca 0.28 -1.20 -0.08 0.00 -0.55 0.00 0.00 66.41 64.86 2a1f h THR 81 Cb 0.28 1.55 -0.01 0.00 -1.73 0.00 0.00 68.15 68.24 2a1f h THR 81 CO -0.09 0.35 -0.09 0.58 -0.25 0.00 0.00 175.52 176.02 2a1f h VAL 82 N 0.12 1.28 -0.26 6.82 2.07 -1.18 0.14 116.25 125.23 2a1f h VAL 82 Ca 0.02 -1.16 0.04 0.00 0.82 0.00 0.00 66.70 66.41 2a1f h VAL 82 Cb 0.62 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.67 2a1f h VAL 82 CO 0.05 0.38 0.05 0.24 0.02 0.00 0.00 177.57 178.31 2a1f h MET 83 N 0.46 0.15 -0.85 1.57 2.86 -1.35 0.43 114.93 118.21 2a1f h MET 83 Ca 0.09 -0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.73 2a1f h MET 83 Cb 0.60 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.18 2a1f h MET 83 CO 0.04 0.10 0.56 -0.91 1.06 0.00 0.00 176.91 177.75 2a1f h ASN 84 N 0.15 0.95 -0.53 1.22 2.35 -1.38 -2.05 115.58 116.30 2a1f h ASN 84 Ca 0.12 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.84 2a1f h ASN 84 Cb 0.12 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.24 2a1f h ASN 84 CO -0.16 0.68 0.30 1.23 -1.65 0.00 0.00 177.43 177.83 2a1f h GLY 85 N 1.12 0.81 1.22 2.83 0.00 -0.39 -1.23 103.07 107.44 2a1f h GLY 85 Ca 0.32 -0.35 -0.18 0.00 0.00 0.00 0.00 47.33 47.12 2a1f h GLY 85 CO -0.08 0.34 -0.55 1.41 0.00 0.00 0.00 176.54 177.65 2a1f h LEU 86 N 0.77 0.91 -0.72 3.11 3.38 -0.56 -1.27 115.31 120.92 2a1f h LEU 86 Ca 0.20 -0.49 -0.05 0.00 0.09 0.00 0.00 57.88 57.63 2a1f h LEU 86 Cb 0.02 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 2a1f h LEU 86 CO -0.03 1.27 0.27 0.00 0.09 0.00 0.00 178.44 180.04 2a1f h ALA 87 N 0.75 0.94 -0.15 1.53 0.00 -1.01 -2.09 119.26 119.23 2a1f h ALA 87 Ca 0.01 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 2a1f h ALA 87 Cb 1.15 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 2a1f h ALA 87 CO 0.12 0.58 -0.15 1.98 0.00 0.00 0.00 179.25 181.78 2a1f h MET 88 N 1.04 0.37 -0.57 0.00 1.85 -1.12 -1.24 114.93 115.26 2a1f h MET 88 Ca 0.24 -0.19 0.10 0.00 -0.61 0.00 0.00 59.70 59.24 2a1f h MET 88 Cb 0.24 0.01 -0.08 0.00 0.43 0.00 0.00 31.60 32.20 2a1f h MET 88 CO -0.02 0.75 0.13 -0.09 -0.40 0.00 0.00 176.91 177.28 2a1f h ARG 89 N 0.00 0.26 -0.71 0.39 2.43 -1.21 0.11 114.38 115.65 2a1f h ARG 89 Ca 0.02 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.11 2a1f h ARG 89 Cb 0.68 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.14 2a1f h ARG 89 CO 0.04 0.17 0.17 0.22 -1.51 0.00 0.00 179.97 179.06 2a1f h ASP 90 N 0.27 1.08 -0.69 -3.80 3.58 -1.30 -1.42 116.42 114.14 2a1f h ASP 90 Ca 0.29 -0.23 -0.07 0.00 0.42 0.00 0.00 57.03 57.44 2a1f h ASP 90 Cb 0.41 -0.28 -0.03 0.00 1.72 0.00 0.00 39.33 41.15 2a1f h ASP 90 CO -0.37 1.03 0.16 -1.28 -2.88 0.00 0.00 179.24 175.90 2a1f h SER 91 N 1.08 1.06 -0.39 2.28 0.87 -0.58 -1.86 113.55 115.99 2a1f h SER 91 Ca 0.22 -0.23 -0.03 0.00 -1.23 0.00 0.00 61.79 60.53 2a1f h SER 91 Cb 0.37 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 2a1f h SER 91 CO 0.00 1.02 0.14 -0.07 -0.53 0.00 0.00 176.83 177.39 2a1f h LEU 92 N 1.05 0.56 -0.67 2.23 3.38 -0.60 -2.14 115.31 119.12 2a1f h LEU 92 Ca 0.22 -0.19 0.08 0.00 0.09 0.00 0.00 57.88 58.08 2a1f h LEU 92 Cb 0.38 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 40.92 2a1f h LEU 92 CO 0.00 0.60 0.33 0.15 0.09 0.00 0.00 178.44 179.61 2a1f h PHE 93 N 0.49 0.59 0.00 1.13 3.57 -1.08 0.20 116.94 121.84 2a1f h PHE 93 Ca 0.13 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 2a1f h PHE 93 Cb 0.23 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 38.80 2a1f h PHE 93 CO 0.00 0.23 -0.06 0.00 -2.23 0.00 0.00 178.31 176.25 2a1f h ARG 94 N 0.58 0.00 -0.63 1.11 3.08 -1.10 -0.65 114.38 116.77 2a1f h ARG 94 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.37 2a1f h ARG 94 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.36 2a1f h ARG 94 CO -0.24 0.06 0.00 0.00 -1.07 0.00 0.00 179.97 178.72 2a1f n ALA 95 N -2.14 2.83 -3.54 0.04 0.00 -0.83 -4.96 120.51 111.93 2a1f n ALA 95 Ca -0.00 -1.24 -0.25 0.00 0.00 0.00 0.00 53.44 51.95 2a1f n ALA 95 Cb 0.31 -1.00 0.06 0.00 0.00 0.00 0.00 19.45 18.81 2a1f n ALA 95 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2a1f n ASP 96 N 1.02 -6.10 -4.43 0.00 9.92 -0.25 -5.00 116.55 111.70 2a1f n ASP 96 Ca 0.21 -0.52 -0.35 0.00 -0.53 0.00 0.00 54.79 53.60 2a1f n ASP 96 Cb 0.69 -4.83 -0.13 0.00 -0.64 0.00 0.00 41.12 36.21 2a1f n ASP 96 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2a1f s VAL 97 N -3.28 3.79 -0.16 2.53 1.01 0.00 -5.01 120.40 119.27 2a1f s VAL 97 Ca 0.55 -0.37 -0.29 0.00 0.00 0.00 0.00 61.98 61.86 2a1f s VAL 97 Cb -0.25 -2.70 -0.05 0.00 0.00 0.00 0.00 36.38 33.39 2a1f s VAL 97 CO 0.68 0.45 1.87 0.21 0.00 0.00 0.00 175.10 178.31 2a1f s ASN 98 N 0.90 6.12 0.12 3.32 2.47 -1.26 -3.62 114.94 122.98 2a1f s ASN 98 Ca 0.00 1.94 0.02 0.00 0.42 0.00 0.00 52.86 55.24 2a1f s ASN 98 Cb -0.14 -2.53 -0.04 0.00 -1.45 0.00 0.00 41.25 37.09 2a1f s ASN 98 CO 0.02 -1.42 -0.05 0.00 -3.72 0.00 0.00 177.10 171.93 2a1f s ALA 99 N 5.94 1.07 -0.02 1.71 0.00 -1.26 -1.25 121.76 127.95 2a1f s ALA 99 Ca 0.84 -1.41 -0.03 0.00 0.00 0.00 0.00 51.96 51.36 2a1f s ALA 99 Cb -0.31 0.27 0.00 0.00 0.00 0.00 0.00 23.12 23.08 2a1f s ALA 99 CO 0.34 -0.26 0.07 0.15 0.00 0.00 0.00 175.76 176.06 2a1f s LYS 100 N -3.86 0.16 -0.19 0.00 -0.14 -0.08 -4.91 119.74 110.72 2a1f s LYS 100 Ca 0.15 -0.04 -0.06 0.00 -1.36 0.00 0.00 55.97 54.65 2a1f s LYS 100 Cb 0.05 0.07 -0.03 0.00 -1.68 0.00 0.00 37.83 36.24 2a1f s LYS 100 CO -0.02 -0.03 0.04 -1.17 -0.76 0.00 0.00 175.35 173.41 2a1f s LEU 101 N -0.30 3.59 0.08 3.17 2.96 -1.26 -0.53 118.68 126.39 2a1f s LEU 101 Ca -0.04 -0.03 0.08 0.00 -0.22 0.00 0.00 54.13 53.92 2a1f s LEU 101 Cb -0.02 -1.91 -0.04 0.00 0.50 0.00 0.00 46.19 44.72 2a1f s LEU 101 CO 0.00 0.13 -0.20 -0.04 -1.32 0.00 0.00 176.35 174.92 2a1f s MET 102 N 0.63 1.85 -0.03 1.98 -1.94 0.09 -1.39 119.30 120.50 2a1f s MET 102 Ca 0.02 -1.12 0.03 0.00 -1.71 0.00 0.00 55.69 52.91 2a1f s MET 102 Cb -0.13 -2.10 0.00 0.00 2.01 0.00 0.00 34.83 34.60 2a1f s MET 102 CO 0.02 0.50 -0.10 0.45 -0.01 0.00 0.00 175.02 175.88 2a1f s SER 103 N -1.77 1.33 0.30 3.03 0.15 -0.10 -0.72 113.70 115.92 2a1f s SER 103 Ca 0.16 -0.21 0.05 0.00 0.70 0.00 0.00 55.95 56.65 2a1f s SER 103 Cb -0.10 -0.33 0.71 0.00 -1.71 0.00 0.00 66.02 64.59 2a1f s SER 103 CO 0.07 0.08 1.78 0.00 1.20 0.00 0.00 173.24 176.37 2a1f h ALA 104 N 6.31 1.62 -2.67 5.45 0.00 -1.55 0.12 119.26 128.54 2a1f h ALA 104 Ca -0.33 0.08 -0.59 0.00 0.00 0.00 0.00 54.91 54.07 2a1f h ALA 104 Cb 1.17 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 2a1f h ALA 104 CO 0.49 -0.04 -0.16 -0.06 0.00 0.00 0.00 179.25 179.48 2a1f s PHE 105 N -5.87 3.71 0.02 0.00 2.99 -1.26 -4.76 117.98 112.80 2a1f s PHE 105 Ca -0.11 1.03 -0.30 0.00 0.00 0.00 0.00 56.93 57.55 2a1f s PHE 105 Cb 0.25 -2.32 -0.08 0.00 0.00 0.00 0.00 43.02 40.86 2a1f s PHE 105 CO 0.80 0.59 1.89 -1.14 -0.00 0.00 0.00 175.22 177.36 2a1f s GLN 106 N -1.32 4.15 -0.59 0.44 0.74 -1.26 -4.83 119.66 116.99 2a1f s GLN 106 Ca 0.28 2.53 0.06 0.00 0.05 0.00 0.00 55.36 58.28 2a1f s GLN 106 Cb -0.17 -4.09 0.23 0.00 1.10 0.00 0.00 33.01 30.09 2a1f s GLN 106 CO 0.16 -0.92 0.65 1.28 -0.55 0.00 0.00 175.29 175.91 2a1f n LEU 107 N 7.32 2.80 -4.63 3.68 4.77 -1.26 -5.09 117.00 124.59 2a1f n LEU 107 Ca 0.19 -5.22 -0.59 0.00 -0.03 0.00 0.00 56.01 50.35 2a1f n LEU 107 Cb 0.41 -0.38 -0.08 0.00 -2.33 0.00 0.00 43.42 41.04 2a1f n LEU 107 CO 0.67 2.01 0.95 0.59 -1.33 0.00 0.00 177.39 180.27 2a1f n ASN 108 N 1.20 1.17 0.00 -1.43 5.03 -1.26 -1.08 115.26 118.89 2a1f n ASN 108 Ca 0.27 1.14 0.00 0.00 0.87 0.00 0.00 54.58 56.86 2a1f n ASN 108 Cb 0.43 -1.02 0.00 0.00 -1.02 0.00 0.00 39.78 38.17 2a1f n ASN 108 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2a1f n GLY 109 N 2.93 2.25 0.38 7.41 0.00 -1.26 -4.83 105.19 112.07 2a1f n GLY 109 Ca 0.24 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.06 2a1f n GLY 109 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2a1f n ILE 110 N -2.00 1.03 -3.55 -0.61 5.41 -0.24 -5.12 119.36 114.29 2a1f n ILE 110 Ca 0.00 -0.28 -0.04 0.00 1.00 0.00 0.00 62.75 63.43 2a1f n ILE 110 Cb 0.00 -1.69 0.02 0.00 -0.71 0.00 0.00 39.64 37.26 2a1f n ILE 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2a1f s ASP 112 N -2.31 6.78 0.04 0.00 1.11 -0.48 -4.55 116.67 117.27 2a1f s ASP 112 Ca 0.11 1.38 -0.26 0.00 0.18 0.00 0.00 52.55 53.96 2a1f s ASP 112 Cb -0.03 -2.41 -0.05 0.00 1.07 0.00 0.00 42.92 41.50 2a1f s ASP 112 CO 0.06 -0.28 0.80 -0.89 1.18 0.00 0.00 175.17 176.04 2a1f s THR 113 N -2.10 4.73 0.33 -1.27 2.01 -1.26 -0.92 115.64 117.16 2a1f s THR 113 Ca 0.56 1.71 -0.29 0.00 0.31 0.00 0.00 61.69 63.97 2a1f s THR 113 Cb -0.10 -4.15 -0.11 0.00 0.01 0.00 0.00 72.50 68.15 2a1f s THR 113 CO 0.18 0.33 1.56 -0.47 -0.69 0.00 0.00 174.62 175.54 2a1f s TYR 114 N 0.09 2.67 -0.28 4.92 5.04 0.41 -4.73 117.35 125.48 2a1f s TYR 114 Ca 0.41 0.91 -0.05 0.00 -2.44 0.00 0.00 57.07 55.89 2a1f s TYR 114 Cb -0.21 -4.07 0.15 0.00 0.35 0.00 0.00 41.96 38.18 2a1f s TYR 114 CO 0.24 -3.43 0.55 1.21 -1.34 0.00 0.00 175.55 172.78 2a1f s ASN 115 N 0.27 -0.88 0.34 4.32 3.84 -1.26 -4.97 114.94 116.61 2a1f s ASN 115 Ca 0.60 1.02 0.07 0.00 0.21 0.00 0.00 52.86 54.75 2a1f s ASN 115 Cb -0.48 1.92 0.75 0.00 -0.55 0.00 0.00 41.25 42.90 2a1f s ASN 115 CO 0.54 -0.25 1.87 4.11 -2.79 0.00 0.00 177.10 180.58 2a1f h TRP 116 N 8.06 0.88 0.10 0.43 5.08 -1.94 0.16 115.95 128.71 2a1f h TRP 116 Ca -0.20 0.03 -0.28 0.00 1.08 0.00 0.00 58.89 59.52 2a1f h TRP 116 Cb 1.13 -0.28 -0.01 0.00 -3.00 0.00 0.00 29.16 27.00 2a1f h TRP 116 CO 0.15 0.35 -1.37 0.66 -1.28 0.00 0.00 178.44 176.95 2a1f h SER 117 N 0.77 0.32 -0.56 0.11 4.64 -1.98 -2.13 113.55 114.72 2a1f h SER 117 Ca 0.44 -0.40 -0.07 0.00 -0.47 0.00 0.00 61.79 61.30 2a1f h SER 117 Cb 0.62 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.58 2a1f h SER 117 CO -0.21 1.32 0.10 -0.33 -0.87 0.00 0.00 176.83 176.85 2a1f h GLU 118 N 0.06 0.97 -0.44 4.77 4.39 -1.87 -1.77 114.58 120.69 2a1f h GLU 118 Ca -0.18 -0.24 -0.02 0.00 0.34 0.00 0.00 59.36 59.27 2a1f h GLU 118 Cb 1.97 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 30.47 2a1f h GLU 118 CO 0.17 0.89 0.21 0.00 -1.16 0.00 0.00 179.01 179.12 2a1f h ALA 119 N 1.19 0.56 -0.58 3.43 0.00 -0.88 -1.94 119.26 121.05 2a1f h ALA 119 Ca 0.19 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2a1f h ALA 119 Cb 0.40 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2a1f h ALA 119 CO 0.01 0.12 0.37 0.82 0.00 0.00 0.00 179.25 180.57 2a1f h ILE 120 N 0.57 1.16 -0.76 0.00 2.04 -1.31 -0.67 117.51 118.53 2a1f h ILE 120 Ca 0.15 -0.31 0.04 0.00 1.00 0.00 0.00 64.86 65.74 2a1f h ILE 120 Cb 0.11 0.33 -0.05 0.00 -0.74 0.00 0.00 36.82 36.47 2a1f h ILE 120 CO -0.02 0.15 0.47 0.11 0.00 0.00 0.00 178.15 178.87 2a1f h LYS 121 N 0.78 0.87 -0.57 2.37 1.57 -1.22 0.35 116.57 120.72 2a1f h LYS 121 Ca 0.21 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.84 2a1f h LYS 121 Cb -0.06 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.03 2a1f h LYS 121 CO -0.04 0.58 -0.03 0.52 -0.57 0.00 0.00 179.45 179.91 2a1f h MET 122 N 0.90 1.00 -0.27 3.15 2.86 -0.77 -1.43 114.93 120.37 2a1f h MET 122 Ca 0.32 -0.32 -0.02 0.00 -2.06 0.00 0.00 59.70 57.63 2a1f h MET 122 Cb 0.09 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 2a1f h MET 122 CO -0.14 0.99 0.11 -0.07 1.06 0.00 0.00 176.91 178.86 2a1f h LEU 123 N 0.91 0.37 -1.70 1.22 3.38 -0.79 -0.84 115.31 117.86 2a1f h LEU 123 Ca 0.16 -0.17 0.08 0.00 0.09 0.00 0.00 57.88 58.04 2a1f h LEU 123 Cb 0.56 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 2a1f h LEU 123 CO 0.03 0.44 0.34 0.03 0.09 0.00 0.00 178.44 179.38 2a1f h ARG 124 N 0.28 0.34 0.00 1.13 3.08 -0.78 0.06 114.38 118.49 2a1f h ARG 124 Ca 0.09 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.12 2a1f h ARG 124 Cb 0.19 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.16 2a1f h ARG 124 CO -0.01 0.22 0.00 0.39 -1.07 0.00 0.00 179.97 179.51 2a1f n GLU 125 N -4.47 0.83 -2.53 0.04 1.02 -0.55 -4.90 120.64 110.08 2a1f n GLU 125 Ca 0.08 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 57.04 2a1f n GLU 125 Cb 0.33 -1.22 0.01 0.00 -0.02 0.00 0.00 31.44 30.53 2a1f n GLU 125 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2a1f n LYS 126 N -0.72 -2.34 -3.48 3.49 4.76 0.01 -5.02 118.16 114.85 2a1f n LYS 126 Ca 0.09 0.79 -0.36 0.00 -2.87 0.00 0.00 58.31 55.97 2a1f n LYS 126 Cb 0.04 -5.26 -0.06 0.00 -1.84 0.00 0.00 35.03 27.91 2a1f n LYS 126 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2a1f s ARG 127 N -5.08 3.88 -0.12 1.97 0.52 -0.37 -4.81 118.95 114.93 2a1f s ARG 127 Ca 0.09 0.34 -0.29 0.00 -0.52 0.00 0.00 55.73 55.35 2a1f s ARG 127 Cb -0.04 -3.03 -0.01 0.00 0.52 0.00 0.00 34.95 32.39 2a1f s ARG 127 CO 0.11 0.56 0.99 0.08 0.02 0.00 0.00 175.30 177.07 2a1f s VAL 128 N -1.35 4.79 -0.22 3.52 1.01 -0.38 -4.16 120.40 123.61 2a1f s VAL 128 Ca 0.33 2.01 -0.05 0.00 0.00 0.00 0.00 61.98 64.27 2a1f s VAL 128 Cb -0.15 -4.30 -0.02 0.00 0.00 0.00 0.00 36.38 31.91 2a1f s VAL 128 CO 0.18 -0.00 -0.01 -0.69 0.00 0.00 0.00 175.10 174.57 2a1f s VAL 129 N 2.08 3.75 -0.16 2.92 1.01 -0.91 -0.90 120.40 128.19 2a1f s VAL 129 Ca 0.47 -0.37 -0.11 0.00 0.00 0.00 0.00 61.98 61.97 2a1f s VAL 129 Cb -0.18 -2.71 -0.05 0.00 0.00 0.00 0.00 36.38 33.44 2a1f s VAL 129 CO 0.17 0.41 0.21 -0.63 0.00 0.00 0.00 175.10 175.26 2a1f s ILE 130 N 1.31 5.37 -0.21 2.22 1.01 0.31 -0.43 121.20 130.77 2a1f s ILE 130 Ca 0.04 0.36 -0.05 0.00 0.00 0.00 0.00 60.65 61.00 2a1f s ILE 130 Cb -0.15 -3.53 -0.02 0.00 0.01 0.00 0.00 42.46 38.78 2a1f s ILE 130 CO 0.00 0.47 -0.01 -0.36 0.00 0.00 0.00 174.94 175.04 2a1f s PHE 131 N 0.04 3.01 0.36 3.97 2.99 0.62 -0.73 117.98 128.24 2a1f s PHE 131 Ca 0.13 -0.63 0.04 0.00 0.00 0.00 0.00 56.93 56.46 2a1f s PHE 131 Cb -0.12 -2.11 -0.05 0.00 0.00 0.00 0.00 43.02 40.74 2a1f s PHE 131 CO 0.02 -0.37 0.08 -1.54 -0.00 0.00 0.00 175.22 173.41 2a1f s SER 132 N 1.24 2.58 -1.18 1.36 1.04 0.10 -3.76 113.70 115.08 2a1f s SER 132 Ca 0.03 -1.50 0.00 0.00 0.48 0.00 0.00 55.95 54.97 2a1f s SER 132 Cb -0.15 0.16 0.00 0.00 0.10 0.00 0.00 66.02 66.14 2a1f s SER 132 CO 0.00 -0.74 0.00 0.00 0.98 0.00 0.00 173.24 173.49 2a1f n ALA 133 N -0.79 -0.22 -0.70 5.32 0.00 -1.25 -1.65 120.51 121.23 2a1f n ALA 133 Ca -0.04 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2a1f n ALA 133 Cb 0.66 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.72 2a1f n ALA 133 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a1f n GLY 134 N -1.42 3.10 0.86 0.00 0.00 -1.26 -1.40 105.19 105.07 2a1f n GLY 134 Ca -0.12 -0.13 0.12 0.00 0.00 0.00 0.00 46.02 45.89 2a1f n GLY 134 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2a1f n THR 135 N 0.00 0.14 -0.51 2.61 -2.24 -1.26 -4.56 114.28 108.46 2a1f n THR 135 Ca 0.00 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 2a1f n THR 135 Cb 0.00 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.27 2a1f n THR 135 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2a1f n GLY 136 N 1.33 1.33 3.47 3.38 0.00 -0.49 -4.98 105.19 109.22 2a1f n GLY 136 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 2a1f n GLY 136 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2a1f s ASN 137 N -3.17 3.90 1.01 1.61 0.01 -1.26 -5.05 114.94 111.99 2a1f s ASN 137 Ca 0.00 -0.40 -0.12 0.00 -0.71 0.00 0.00 52.86 51.63 2a1f s ASN 137 Cb 0.00 -0.66 0.20 0.00 0.41 0.00 0.00 41.25 41.20 2a1f s ASN 137 CO 0.00 0.26 1.09 -2.16 -1.51 0.00 0.00 177.10 174.77 2a1f s PRO 138 N -1.46 0.30 -1.38 -0.60 0.04 -1.26 -4.28 135.00 126.35 2a1f s PRO 138 Ca 0.15 0.53 0.00 0.00 0.04 0.00 0.00 61.00 61.72 2a1f s PRO 138 Cb -0.11 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.71 2a1f s PRO 138 CO 0.06 -2.83 0.00 1.19 0.04 0.00 0.00 177.00 175.46 2a1f n PHE 139 N -4.24 -0.73 -3.65 0.56 3.72 -1.26 -4.99 117.46 106.87 2a1f n PHE 139 Ca 0.05 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.24 2a1f n PHE 139 Cb 0.57 -3.26 -0.17 0.00 -0.94 0.00 0.00 39.48 35.68 2a1f n PHE 139 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 2a1f s PHE 140 N -2.79 0.02 0.98 1.38 0.40 -1.26 -5.15 117.98 111.57 2a1f s PHE 140 Ca 0.00 0.21 -0.12 0.00 -0.60 0.00 0.00 56.93 56.43 2a1f s PHE 140 Cb 0.00 -0.47 0.18 0.00 0.51 0.00 0.00 43.02 43.24 2a1f s PHE 140 CO 0.00 -0.29 1.08 0.95 0.70 0.00 0.00 175.22 177.66 2a1f s THR 141 N 2.20 2.33 0.28 0.64 -4.23 -1.26 -4.84 115.64 110.76 2a1f s THR 141 Ca 0.04 0.11 -0.01 0.00 -1.18 0.00 0.00 61.69 60.65 2a1f s THR 141 Cb -0.13 -2.42 0.15 0.00 1.34 0.00 0.00 72.50 71.44 2a1f s THR 141 CO -0.05 -0.14 1.83 0.74 -0.54 0.00 0.00 174.62 176.45 2a1f h THR 142 N -1.92 1.22 -0.77 3.99 2.02 -1.99 -2.01 112.91 113.45 2a1f h THR 142 Ca -0.53 -0.82 0.07 0.00 0.77 0.00 0.00 66.41 65.90 2a1f h THR 142 Cb 1.30 0.71 -0.06 0.00 -1.74 0.00 0.00 68.15 68.36 2a1f h THR 142 CO 0.52 0.30 0.45 0.44 0.37 0.00 0.00 175.52 177.61 2a1f h ASP 143 N 0.77 0.69 -0.66 4.18 3.32 -1.99 -0.16 116.42 122.56 2a1f h ASP 143 Ca 0.17 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.25 2a1f h ASP 143 Cb 0.31 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 2a1f h ASP 143 CO 0.00 0.44 0.42 0.28 -1.72 0.00 0.00 179.24 178.66 2a1f h SER 144 N 0.82 0.77 -0.46 6.45 0.02 -1.80 -2.00 113.55 117.36 2a1f h SER 144 Ca 0.35 -0.04 0.02 0.00 -0.84 0.00 0.00 61.79 61.28 2a1f h SER 144 Cb 0.21 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.52 2a1f h SER 144 CO -0.19 0.58 0.28 0.74 -1.14 0.00 0.00 176.83 177.10 2a1f h THR 145 N 0.90 1.06 -0.72 -2.27 2.02 -1.06 -0.59 112.91 112.25 2a1f h THR 145 Ca 0.24 -0.19 0.04 0.00 0.77 0.00 0.00 66.41 67.27 2a1f h THR 145 Cb -0.07 0.45 -0.05 0.00 -1.74 0.00 0.00 68.15 66.74 2a1f h THR 145 CO -0.05 0.10 0.44 0.00 0.37 0.00 0.00 175.52 176.38 2a1f h ALA 146 N 1.20 0.95 -0.26 6.16 0.00 -0.84 0.30 119.26 126.77 2a1f h ALA 146 Ca 0.18 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.93 2a1f h ALA 146 Cb -0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2a1f h ALA 146 CO -0.08 0.18 -0.45 0.00 0.00 0.00 0.00 179.25 178.90 2a1f h LEU 148 N 0.54 0.31 -0.34 0.00 5.85 -0.80 -1.49 115.31 119.39 2a1f h LEU 148 Ca 0.03 -0.44 -0.10 0.00 0.84 0.00 0.00 57.88 58.21 2a1f h LEU 148 Cb 1.00 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.93 2a1f h LEU 148 CO 0.09 0.69 -0.16 0.03 -0.34 0.00 0.00 178.44 178.75 2a1f h ARG 149 N -0.06 0.72 -0.51 1.25 2.47 -0.97 -1.01 114.38 116.26 2a1f h ARG 149 Ca 0.03 -0.31 0.05 0.00 -1.26 0.00 0.00 59.98 58.49 2a1f h ARG 149 Cb 0.59 -0.02 -0.05 0.00 -1.65 0.00 0.00 29.97 28.83 2a1f h ARG 149 CO 0.03 0.91 0.24 0.78 0.56 0.00 0.00 179.97 182.48 2a1f h GLY 150 N 0.50 0.71 0.80 0.04 0.00 -1.22 -0.71 103.07 103.19 2a1f h GLY 150 Ca 0.08 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.23 2a1f h GLY 150 CO 0.05 0.08 0.01 -2.22 0.00 0.00 0.00 176.54 174.46 2a1f h ILE 151 N 0.46 1.24 -0.74 2.60 2.04 -1.18 -1.24 117.51 120.70 2a1f h ILE 151 Ca 0.23 -0.79 0.05 0.00 1.00 0.00 0.00 64.86 65.35 2a1f h ILE 151 Cb 0.18 1.47 -0.05 0.00 -0.74 0.00 0.00 36.82 37.68 2a1f h ILE 151 CO -0.19 0.23 0.44 -0.33 0.00 0.00 0.00 178.15 178.31 2a1f h GLU 152 N 0.01 0.81 -0.33 2.37 5.08 -0.76 -2.60 114.58 119.17 2a1f h GLU 152 Ca 0.04 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2a1f h GLU 152 Cb 0.35 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2a1f h GLU 152 CO 0.01 0.54 0.00 0.44 -1.00 0.00 0.00 179.01 178.99 2a1f n ILE 153 N -4.69 0.43 -3.34 3.13 -5.35 -0.31 -4.93 119.36 104.30 2a1f n ILE 153 Ca 0.09 -0.49 -0.18 0.00 -0.27 0.00 0.00 62.75 61.90 2a1f n ILE 153 Cb 0.14 0.35 0.07 0.00 -1.74 0.00 0.00 39.64 38.46 2a1f n ILE 153 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2a1f n GLU 154 N 0.63 -6.28 -1.99 6.28 1.02 -0.98 -4.89 120.64 114.42 2a1f n GLU 154 Ca 0.15 0.71 -0.34 0.00 -0.02 0.00 0.00 57.16 57.66 2a1f n GLU 154 Cb 0.36 -5.38 0.03 0.00 -0.02 0.00 0.00 31.44 26.42 2a1f n GLU 154 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2a1f s ALA 155 N -3.29 2.57 -0.34 0.62 0.00 -0.49 -4.91 121.76 115.92 2a1f s ALA 155 Ca 0.27 0.68 0.21 0.00 0.00 0.00 0.00 51.96 53.12 2a1f s ALA 155 Cb -0.12 -3.34 0.28 0.00 0.00 0.00 0.00 23.12 19.95 2a1f s ALA 155 CO 0.62 -1.04 1.57 -0.44 0.00 0.00 0.00 175.76 176.47 2a1f h ASP 156 N 0.58 0.00 -4.31 0.00 3.32 -0.94 -3.46 116.42 111.60 2a1f h ASP 156 Ca -0.48 0.00 0.08 0.00 0.02 0.00 0.00 57.03 56.65 2a1f h ASP 156 Cb 1.25 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.60 2a1f h ASP 156 CO 0.55 0.15 0.52 0.54 -1.72 0.00 0.00 179.24 179.28 2a1f s VAL 157 N -3.15 0.00 -0.27 -1.35 0.11 -1.26 -4.43 120.40 110.06 2a1f s VAL 157 Ca 0.06 0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 59.03 2a1f s VAL 157 Cb 0.06 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.89 2a1f s VAL 157 CO 0.69 0.00 0.09 -0.69 -3.33 0.00 0.00 175.10 171.86 2a1f s VAL 158 N -1.62 4.35 -0.32 2.04 1.01 -0.64 -1.84 120.40 123.39 2a1f s VAL 158 Ca -0.01 -0.26 -0.21 0.00 0.00 0.00 0.00 61.98 61.51 2a1f s VAL 158 Cb -0.01 -3.09 -0.00 0.00 0.00 0.00 0.00 36.38 33.28 2a1f s VAL 158 CO -0.00 0.26 0.67 -0.76 0.00 0.00 0.00 175.10 175.27 2a1f s LEU 159 N 1.61 4.16 -0.67 3.92 1.43 0.29 -1.19 118.68 128.23 2a1f s LEU 159 Ca 0.06 0.40 -0.17 0.00 -1.03 0.00 0.00 54.13 53.39 2a1f s LEU 159 Cb -0.16 -2.87 0.14 0.00 0.03 0.00 0.00 46.19 43.34 2a1f s LEU 159 CO 0.04 -0.55 0.71 -0.75 0.23 0.00 0.00 176.35 176.03 2a1f s LYS 160 N 2.73 3.22 -0.01 1.70 2.20 0.15 -0.42 119.74 129.31 2a1f s LYS 160 Ca 0.27 -1.75 -0.30 0.00 -0.36 0.00 0.00 55.97 53.83 2a1f s LYS 160 Cb -0.15 -4.38 -0.05 0.00 -1.51 0.00 0.00 37.83 31.74 2a1f s LYS 160 CO 0.13 -1.45 1.34 0.00 -0.36 0.00 0.00 175.35 175.01 2a1f s ALA 161 N 1.78 3.55 0.41 3.13 0.00 -0.55 -2.33 121.76 127.75 2a1f s ALA 161 Ca 0.13 0.82 0.03 0.00 0.00 0.00 0.00 51.96 52.94 2a1f s ALA 161 Cb -0.20 -3.57 -0.01 0.00 0.00 0.00 0.00 23.12 19.34 2a1f s ALA 161 CO 0.00 -0.84 0.11 0.25 0.00 0.00 0.00 175.76 175.27 2a1f n THR 162 N 4.59 0.00 0.72 0.00 -2.24 0.28 -4.44 114.28 113.19 2a1f n THR 162 Ca 0.12 -2.24 0.12 0.00 -2.27 0.00 0.00 64.05 59.78 2a1f n THR 162 Cb 0.44 0.72 0.15 0.00 -2.10 0.00 0.00 70.33 69.54 2a1f n THR 162 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2a1f n LYS 163 N -0.94 2.40 -4.16 -0.78 5.02 -1.26 -1.73 118.16 116.70 2a1f n LYS 163 Ca -0.09 -2.08 -0.24 0.00 -2.02 0.00 0.00 58.31 53.89 2a1f n LYS 163 Cb 0.58 -1.48 -0.07 0.00 -0.02 0.00 0.00 35.03 34.04 2a1f n LYS 163 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2a1f s VAL 164 N -1.79 2.88 0.23 -0.18 -7.23 -1.26 -4.92 120.40 108.13 2a1f s VAL 164 Ca 0.32 -1.76 0.16 0.00 -1.81 0.00 0.00 61.98 58.89 2a1f s VAL 164 Cb 0.21 -2.93 0.09 0.00 0.56 0.00 0.00 36.38 34.31 2a1f s VAL 164 CO 0.31 -0.18 1.72 0.44 -0.31 0.00 0.00 175.10 177.08 2a1f h ASP 165 N 1.60 0.00 0.00 4.85 3.45 -1.93 -3.05 116.42 121.34 2a1f h ASP 165 Ca -0.43 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.03 2a1f h ASP 165 Cb 1.25 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.02 2a1f h ASP 165 CO 0.64 0.43 0.00 0.61 -1.57 0.00 0.00 179.24 179.35 2a1f n GLY 166 N 0.13 -0.82 3.64 2.75 0.00 -1.26 -4.03 105.19 105.61 2a1f n GLY 166 Ca -0.01 -0.22 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 2a1f n GLY 166 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2a1f s VAL 167 N -4.00 5.23 0.12 1.61 1.01 -1.26 -4.96 120.40 118.14 2a1f s VAL 167 Ca 0.00 0.52 0.02 0.00 0.00 0.00 0.00 61.98 62.53 2a1f s VAL 167 Cb 0.00 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 2a1f s VAL 167 CO 0.00 0.23 0.21 -0.31 0.00 0.00 0.00 175.10 175.23 2a1f s TYR 168 N 1.59 3.39 0.31 5.22 1.51 -1.26 -1.18 117.35 126.94 2a1f s TYR 168 Ca 0.15 0.12 0.04 0.00 -1.01 0.00 0.00 57.07 56.36 2a1f s TYR 168 Cb -0.15 -1.66 0.63 0.00 -0.11 0.00 0.00 41.96 40.68 2a1f s TYR 168 CO 0.08 0.54 1.87 0.38 -1.11 0.00 0.00 175.55 177.31 2a1f h ASP 169 N 2.59 0.83 0.00 2.29 2.03 -1.77 -3.47 116.42 118.91 2a1f h ASP 169 Ca -0.47 0.03 0.00 0.00 -0.73 0.00 0.00 57.03 55.86 2a1f h ASP 169 Cb 1.18 -0.14 0.00 0.00 -0.83 0.00 0.00 39.33 39.55 2a1f h ASP 169 CO 0.69 0.46 0.00 0.00 -1.03 0.00 0.00 179.24 179.37 2a1f n ALA 178 N -3.01 0.00 -2.87 0.00 0.00 -1.26 -5.12 120.51 108.25 2a1f n ALA 178 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 2a1f n ALA 178 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 2a1f n ALA 178 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2a1f s LYS 179 N -1.49 3.84 -0.32 0.00 1.02 -1.26 -5.08 119.74 116.46 2a1f s LYS 179 Ca 0.00 -0.40 -0.29 0.00 0.02 0.00 0.00 55.97 55.31 2a1f s LYS 179 Cb 0.00 -3.34 0.02 0.00 -0.52 0.00 0.00 37.83 33.99 2a1f s LYS 179 CO 0.00 0.00 1.06 -1.17 -0.92 0.00 0.00 175.35 174.33 2a1f s LEU 180 N 1.13 3.94 0.29 3.17 2.96 -1.26 -1.90 118.68 127.01 2a1f s LEU 180 Ca 0.05 1.05 -0.30 0.00 -0.22 0.00 0.00 54.13 54.71 2a1f s LEU 180 Cb -0.14 -3.53 -0.10 0.00 0.50 0.00 0.00 46.19 42.92 2a1f s LEU 180 CO 0.04 -0.87 1.45 -0.31 -1.32 0.00 0.00 176.35 175.34 2a1f s TYR 181 N 3.62 2.93 -0.16 5.38 1.51 -0.32 -4.94 117.35 125.36 2a1f s TYR 181 Ca 0.45 1.07 -0.08 0.00 -1.01 0.00 0.00 57.07 57.50 2a1f s TYR 181 Cb -0.12 -3.86 -0.23 0.00 -0.11 0.00 0.00 41.96 37.63 2a1f s TYR 181 CO 0.15 -2.72 0.23 1.17 -1.11 0.00 0.00 175.55 173.27 2a1f n LYS 182 N 1.81 0.71 -3.92 -0.62 4.81 -1.26 -4.25 118.16 115.43 2a1f n LYS 182 Ca 0.05 0.30 -0.15 0.00 -0.87 0.00 0.00 58.31 57.64 2a1f n LYS 182 Cb 0.40 -1.68 -0.15 0.00 0.02 0.00 0.00 35.03 33.62 2a1f n LYS 182 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 2a1f s ASN 183 N -6.96 0.27 0.03 3.14 0.01 -1.26 -0.99 114.94 109.19 2a1f s ASN 183 Ca -0.26 -0.02 0.02 0.00 -0.71 0.00 0.00 52.86 51.89 2a1f s ASN 183 Cb 0.07 -0.11 -0.02 0.00 0.41 0.00 0.00 41.25 41.60 2a1f s ASN 183 CO 0.71 -0.05 -0.07 -0.76 -1.51 0.00 0.00 177.10 175.42 2a1f s LEU 184 N 0.56 2.22 0.50 0.60 1.43 0.37 -4.96 118.68 119.40 2a1f s LEU 184 Ca -0.05 -0.48 -0.02 0.00 -1.03 0.00 0.00 54.13 52.54 2a1f s LEU 184 Cb -0.08 -0.14 -0.00 0.00 0.03 0.00 0.00 46.19 46.00 2a1f s LEU 184 CO -0.01 -0.18 0.76 -0.94 0.23 0.00 0.00 176.35 176.20 2a1f s SER 185 N -1.38 5.83 0.14 2.29 1.04 -1.26 -1.47 113.70 118.90 2a1f s SER 185 Ca -0.09 0.52 -0.18 0.00 0.48 0.00 0.00 55.95 56.68 2a1f s SER 185 Cb -0.09 -1.71 0.00 0.00 0.10 0.00 0.00 66.02 64.33 2a1f s SER 185 CO 0.00 -0.79 1.76 1.88 0.98 0.00 0.00 173.24 177.07 2a1f h TYR 186 N 0.20 0.20 -0.75 5.02 -1.99 -1.83 -1.88 116.97 115.94 2a1f h TYR 186 Ca -0.46 0.01 0.10 0.00 2.00 0.00 0.00 58.73 60.38 2a1f h TYR 186 Cb 1.25 -0.05 -0.07 0.00 2.00 0.00 0.00 36.73 39.86 2a1f h TYR 186 CO 0.48 0.10 0.39 0.00 -0.00 0.00 0.00 178.16 179.13 2a1f h ALA 187 N 1.17 1.05 -0.22 3.88 0.00 -1.95 -2.52 119.26 120.68 2a1f h ALA 187 Ca 0.12 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2a1f h ALA 187 Cb 0.08 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2a1f h ALA 187 CO -0.11 -0.01 0.14 0.93 0.00 0.00 0.00 179.25 180.19 2a1f h GLU 188 N 0.66 0.29 -0.61 0.00 5.08 -1.90 0.35 114.58 118.44 2a1f h GLU 188 Ca 0.37 -0.02 0.11 0.00 -1.00 0.00 0.00 59.36 58.82 2a1f h GLU 188 Cb 0.38 -0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.49 2a1f h GLU 188 CO -0.27 0.21 0.16 0.28 -1.00 0.00 0.00 179.01 178.39 2a1f h VAL 189 N 0.28 0.67 -0.16 3.13 2.07 -0.93 0.21 116.25 121.53 2a1f h VAL 189 Ca 0.08 -0.10 -0.08 0.00 0.82 0.00 0.00 66.70 67.42 2a1f h VAL 189 Cb -0.01 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 30.10 2a1f h VAL 189 CO -0.02 0.05 -0.20 0.40 0.02 0.00 0.00 177.57 177.83 2a1f h ILE 190 N 0.30 1.35 -0.45 4.57 2.04 -1.38 -1.40 117.51 122.54 2a1f h ILE 190 Ca 0.32 -1.39 0.06 0.00 1.00 0.00 0.00 64.86 64.85 2a1f h ILE 190 Cb 0.46 1.89 -0.05 0.00 -0.74 0.00 0.00 36.82 38.38 2a1f h ILE 190 CO -0.38 0.41 0.14 0.44 0.00 0.00 0.00 178.15 178.76 2a1f h ASP 191 N 0.04 0.11 -0.11 1.72 3.32 -0.60 -2.28 116.42 118.62 2a1f h ASP 191 Ca 0.02 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.13 2a1f h ASP 191 Cb 0.75 0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.36 2a1f h ASP 191 CO 0.05 0.09 0.00 0.29 -1.72 0.00 0.00 179.24 177.95 2a1f n LYS 192 N -5.04 1.59 -4.05 3.56 5.02 0.03 -4.94 118.16 114.33 2a1f n LYS 192 Ca 0.04 -0.88 -0.31 0.00 -2.02 0.00 0.00 58.31 55.14 2a1f n LYS 192 Cb 0.19 -1.39 -0.01 0.00 -0.02 0.00 0.00 35.03 33.79 2a1f n LYS 192 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2a1f n GLU 193 N 0.09 -3.89 -2.63 1.97 1.02 -0.63 -4.95 120.64 111.64 2a1f n GLU 193 Ca 0.16 0.45 -0.33 0.00 -0.02 0.00 0.00 57.16 57.42 2a1f n GLU 193 Cb 0.29 -5.06 -0.05 0.00 -0.02 0.00 0.00 31.44 26.60 2a1f n GLU 193 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2a1f s LEU 194 N -7.17 3.83 -0.31 -4.62 1.43 -0.63 -5.03 118.68 106.19 2a1f s LEU 194 Ca 0.50 1.74 -0.13 0.00 -1.03 0.00 0.00 54.13 55.20 2a1f s LEU 194 Cb -0.26 -4.54 -0.03 0.00 0.03 0.00 0.00 46.19 41.39 2a1f s LEU 194 CO 0.89 -0.56 0.27 -1.59 0.23 0.00 0.00 176.35 175.59 2a1f s LYS 195 N -3.41 3.76 0.08 1.70 0.00 -1.26 -4.84 119.74 115.76 2a1f s LYS 195 Ca 0.63 -0.38 -0.01 0.00 0.00 0.00 0.00 55.97 56.22 2a1f s LYS 195 Cb -0.11 -3.73 -0.00 0.00 0.00 0.00 0.00 37.83 33.98 2a1f s LYS 195 CO 0.20 -0.34 -0.01 0.28 0.00 0.00 0.00 175.35 175.48 2a1f n VAL 196 N 5.12 1.10 -4.18 1.79 0.31 -1.26 -4.99 118.33 116.22 2a1f n VAL 196 Ca -0.12 0.35 -0.16 0.00 -0.01 0.00 0.00 64.34 64.40 2a1f n VAL 196 Cb 0.51 -1.55 -0.06 0.00 -0.91 0.00 0.00 33.84 31.82 2a1f n VAL 196 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2a1f s MET 197 N -1.92 1.75 0.64 5.55 0.23 -1.26 -5.13 119.30 119.16 2a1f s MET 197 Ca -0.01 -1.83 -0.17 0.00 -1.03 0.00 0.00 55.69 52.65 2a1f s MET 197 Cb 0.00 0.38 -0.01 0.00 -1.53 0.00 0.00 34.83 33.67 2a1f s MET 197 CO 0.02 -0.68 1.19 0.16 -2.03 0.00 0.00 175.02 173.68 2a1f s ASP 198 N -3.27 4.90 0.33 -1.18 1.47 -1.26 -4.76 116.67 112.89 2a1f s ASP 198 Ca 0.35 2.30 0.04 0.00 1.18 0.00 0.00 52.55 56.43 2a1f s ASP 198 Cb 0.02 -2.59 0.67 0.00 -0.34 0.00 0.00 42.92 40.68 2a1f s ASP 198 CO 0.22 -1.78 1.91 0.25 0.68 0.00 0.00 175.17 176.44 2a1f h LEU 199 N 0.40 0.77 0.05 2.11 5.85 -2.01 -1.25 115.31 121.23 2a1f h LEU 199 Ca -0.49 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.25 2a1f h LEU 199 Cb 1.29 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.17 2a1f h LEU 199 CO 0.53 0.46 -0.02 0.77 -0.34 0.00 0.00 178.44 179.85 2a1f h SER 200 N 0.86 -0.05 -0.05 1.25 4.64 -1.99 -0.30 113.55 117.91 2a1f h SER 200 Ca 0.39 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.71 2a1f h SER 200 Cb 0.38 0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.48 2a1f h SER 200 CO -0.16 -0.03 0.03 0.00 -0.87 0.00 0.00 176.83 175.80 2a1f h ALA 201 N 0.89 0.07 -0.88 5.18 0.00 -1.70 -1.85 119.26 120.96 2a1f h ALA 201 Ca -0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2a1f h ALA 201 Cb 0.05 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 2a1f h ALA 201 CO 0.01 -0.40 0.52 0.35 0.00 0.00 0.00 179.25 179.73 2a1f h PHE 202 N 0.01 1.17 -0.52 0.00 3.57 -1.20 -1.05 116.94 118.92 2a1f h PHE 202 Ca 0.02 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.43 2a1f h PHE 202 Cb 0.07 -0.38 -0.02 0.00 2.79 0.00 0.00 35.95 38.41 2a1f h PHE 202 CO -0.05 0.78 -0.01 1.15 -2.23 0.00 0.00 178.31 177.95 2a1f h THR 203 N 1.22 1.26 -0.40 4.41 2.02 -0.92 0.13 112.91 120.63 2a1f h THR 203 Ca 0.32 -1.10 -0.04 0.00 0.77 0.00 0.00 66.41 66.36 2a1f h THR 203 Cb -0.04 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 2a1f h THR 203 CO -0.06 0.39 0.11 0.25 0.37 0.00 0.00 175.52 176.58 2a1f h LEU 204 N 0.79 0.60 -0.57 2.58 5.85 -0.93 -0.26 115.31 123.36 2a1f h LEU 204 Ca 0.15 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 2a1f h LEU 204 Cb 0.53 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 2a1f h LEU 204 CO 0.03 0.66 0.29 0.00 -0.34 0.00 0.00 178.44 179.07 2a1f h ALA 205 N 0.96 0.74 -0.17 1.25 0.00 -0.98 -2.90 119.26 118.15 2a1f h ALA 205 Ca 0.13 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2a1f h ALA 205 Cb 0.28 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2a1f h ALA 205 CO -0.00 0.28 0.06 -0.09 0.00 0.00 0.00 179.25 179.50 2a1f h ARG 206 N 0.77 0.25 0.00 0.00 2.43 -0.58 0.16 114.38 117.42 2a1f h ARG 206 Ca 0.20 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 2a1f h ARG 206 Cb 0.09 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.60 2a1f h ARG 206 CO -0.03 0.34 -0.06 -0.44 -1.51 0.00 0.00 179.97 178.27 2a1f h ASP 207 N 0.11 0.00 -0.05 -3.80 3.32 -1.02 -2.52 116.42 112.46 2a1f h ASP 207 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 2a1f h ASP 207 Cb 0.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 2a1f h ASP 207 CO -0.00 0.06 0.00 1.41 -1.72 0.00 0.00 179.24 178.99 2a1f n HIS 208 N -3.26 0.03 -2.13 4.55 8.25 -1.10 -4.99 115.22 116.57 2a1f n HIS 208 Ca -0.01 -0.02 -0.18 0.00 -0.26 0.00 0.00 57.72 57.25 2a1f n HIS 208 Cb 0.27 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.35 2a1f n HIS 208 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2a1f n GLY 209 N 1.00 0.16 3.64 -1.41 0.00 -0.21 -4.97 105.19 103.41 2a1f n GLY 209 Ca 0.11 -0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 2a1f n GLY 209 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2a1f s MET 210 N -4.55 4.02 0.51 1.61 0.00 -0.13 -4.85 119.30 115.92 2a1f s MET 210 Ca 0.00 1.70 -0.17 0.00 0.00 0.00 0.00 55.69 57.22 2a1f s MET 210 Cb 0.00 -3.92 -0.08 0.00 0.00 0.00 0.00 34.83 30.83 2a1f s MET 210 CO 0.00 -1.00 0.99 -1.25 0.00 0.00 0.00 175.02 173.76 2a1f s PRO 211 N 4.12 3.88 -0.06 4.11 0.04 -1.26 -4.65 135.00 141.18 2a1f s PRO 211 Ca 0.65 1.04 0.04 0.00 0.04 0.00 0.00 61.00 62.76 2a1f s PRO 211 Cb -0.24 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.17 2a1f s PRO 211 CO 0.24 -0.33 -0.18 0.42 0.04 0.00 0.00 177.00 177.19 2a1f s ILE 212 N -2.50 1.54 -0.20 0.56 1.01 -0.37 -1.62 121.20 119.62 2a1f s ILE 212 Ca 0.60 -0.75 -0.04 0.00 0.00 0.00 0.00 60.65 60.46 2a1f s ILE 212 Cb -0.11 -1.34 -0.02 0.00 0.01 0.00 0.00 42.46 41.00 2a1f s ILE 212 CO 0.29 0.44 -0.04 -0.13 0.00 0.00 0.00 174.94 175.51 2a1f s ARG 213 N 0.22 3.47 -0.26 2.79 1.81 -0.33 -0.11 118.95 126.54 2a1f s ARG 213 Ca -0.09 -0.59 -0.12 0.00 -1.72 0.00 0.00 55.73 53.21 2a1f s ARG 213 Cb -0.14 -2.99 -0.05 0.00 -0.45 0.00 0.00 34.95 31.32 2a1f s ARG 213 CO 0.04 -0.06 0.22 0.08 -0.68 0.00 0.00 175.30 174.90 2a1f s VAL 214 N 1.15 5.30 0.28 3.52 1.01 0.20 0.34 120.40 132.19 2a1f s VAL 214 Ca 0.02 0.26 -0.03 0.00 0.00 0.00 0.00 61.98 62.23 2a1f s VAL 214 Cb -0.15 -3.56 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 2a1f s VAL 214 CO -0.00 0.26 0.36 0.72 0.00 0.00 0.00 175.10 176.44 2a1f s PHE 215 N 1.59 1.00 -0.64 5.22 -0.12 -0.98 -1.11 117.98 122.93 2a1f s PHE 215 Ca 0.09 -1.22 -0.15 0.00 -0.05 0.00 0.00 56.93 55.60 2a1f s PHE 215 Cb -0.15 -0.23 0.16 0.00 -0.63 0.00 0.00 43.02 42.17 2a1f s PHE 215 CO 0.09 -0.93 0.60 1.21 -0.05 0.00 0.00 175.22 176.14 2a1f s ASN 216 N -3.18 6.38 0.23 1.98 3.84 -1.15 -0.56 114.94 122.48 2a1f s ASN 216 Ca 0.32 -2.08 0.04 0.00 0.21 0.00 0.00 52.86 51.35 2a1f s ASN 216 Cb 0.02 -2.21 0.22 0.00 -0.55 0.00 0.00 41.25 38.73 2a1f s ASN 216 CO 0.16 -0.77 1.54 -0.03 -2.79 0.00 0.00 177.10 175.21 2a1f h MET 217 N 8.53 0.24 0.00 0.43 1.85 -1.64 -2.87 114.93 121.48 2a1f h MET 217 Ca -0.16 -0.17 0.00 0.00 -0.61 0.00 0.00 59.70 58.75 2a1f h MET 217 Cb 1.08 0.03 0.00 0.00 0.43 0.00 0.00 31.60 33.14 2a1f h MET 217 CO 0.95 0.79 0.00 0.41 -0.40 0.00 0.00 176.91 178.66 2a1f n GLY 218 N 0.32 -0.77 3.44 1.39 0.00 -1.26 -4.15 105.19 104.16 2a1f n GLY 218 Ca -0.02 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 2a1f n GLY 218 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a1f s LYS 219 N -3.03 3.11 0.26 1.61 1.02 -1.08 -5.05 119.74 116.57 2a1f s LYS 219 Ca 0.03 -0.94 -0.29 0.00 0.02 0.00 0.00 55.97 54.80 2a1f s LYS 219 Cb 0.05 -4.25 -0.15 0.00 -0.52 0.00 0.00 37.83 32.97 2a1f s LYS 219 CO 0.15 -1.77 0.98 -2.30 -0.92 0.00 0.00 175.35 171.49 2a1f n PRO 220 N 7.45 1.17 0.00 -1.68 -0.02 -1.26 -1.63 135.00 139.03 2a1f n PRO 220 Ca -0.04 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 2a1f n PRO 220 Cb 0.45 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 32.17 2a1f n PRO 220 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2a1f n GLY 221 N 1.45 3.19 0.22 -1.23 0.00 -1.26 -4.92 105.19 102.64 2a1f n GLY 221 Ca 0.11 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.19 2a1f n GLY 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a1f h ALA 222 N 0.00 1.69 -0.24 4.61 0.00 -1.57 -2.51 119.26 121.24 2a1f h ALA 222 Ca 0.00 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 2a1f h ALA 222 Cb 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2a1f h ALA 222 CO 0.00 0.23 -0.07 1.25 0.00 0.00 0.00 179.25 180.66 2a1f h LEU 223 N 0.00 0.49 -0.63 0.00 5.85 -1.84 -0.74 115.31 118.44 2a1f h LEU 223 Ca -0.00 -0.38 -0.04 0.00 0.84 0.00 0.00 57.88 58.30 2a1f h LEU 223 Cb 0.33 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 2a1f h LEU 223 CO 0.02 0.75 0.24 -0.09 -0.34 0.00 0.00 178.44 179.02 2a1f h ARG 224 N 0.21 0.96 -0.51 1.25 2.43 -1.89 -1.24 114.38 115.59 2a1f h ARG 224 Ca 0.06 -0.18 0.02 0.00 -0.81 0.00 0.00 59.98 59.07 2a1f h ARG 224 Cb 0.55 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 2a1f h ARG 224 CO 0.03 0.82 0.31 1.96 -1.51 0.00 0.00 179.97 181.57 2a1f h GLN 225 N 0.90 0.60 -0.76 0.20 4.20 -1.40 -1.07 115.11 117.77 2a1f h GLN 225 Ca 0.21 -0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.90 2a1f h GLN 225 Cb 0.23 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 27.83 2a1f h GLN 225 CO -0.01 0.39 0.50 0.28 -0.67 0.00 0.00 178.83 179.32 2a1f h VAL 226 N 0.61 1.16 0.00 -0.54 2.07 -0.91 0.29 116.25 118.94 2a1f h VAL 226 Ca 0.21 -0.34 -0.06 0.00 0.82 0.00 0.00 66.70 67.32 2a1f h VAL 226 Cb 0.02 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 29.85 2a1f h VAL 226 CO -0.09 0.18 -0.28 0.58 0.02 0.00 0.00 177.57 177.98 2a1f h VAL 227 N 1.00 0.55 -0.02 2.57 2.07 -1.01 -3.30 116.25 118.12 2a1f h VAL 227 Ca 0.29 -1.49 0.00 0.00 0.82 0.00 0.00 66.70 66.32 2a1f h VAL 227 Cb -0.06 2.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 2a1f h VAL 227 CO -0.08 0.28 -0.04 0.35 0.02 0.00 0.00 177.57 178.09 2a1f n THR 228 N -3.27 0.00 -3.90 2.57 -2.24 -0.42 -0.64 114.28 106.38 2a1f n THR 228 Ca 0.02 -0.48 -0.08 0.00 -2.27 0.00 0.00 64.05 61.23 2a1f n THR 228 Cb 0.56 1.25 -0.04 0.00 -2.10 0.00 0.00 70.33 70.00 2a1f n THR 228 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2a1f s GLY 229 N -1.16 0.20 0.05 3.38 0.00 0.07 -4.33 107.32 105.53 2a1f s GLY 229 Ca 0.14 -0.56 0.24 0.00 0.00 0.00 0.00 44.72 44.54 2a1f s GLY 229 CO 0.19 -0.38 1.23 2.41 0.00 0.00 0.00 173.10 176.55 2a1f n THR 230 N -0.40 0.17 0.06 0.90 -1.04 -1.26 -4.54 114.28 108.17 2a1f n THR 230 Ca -0.04 -0.17 -0.16 0.00 -2.04 0.00 0.00 64.05 61.64 2a1f n THR 230 Cb 0.61 0.15 -0.14 0.00 -1.82 0.00 0.00 70.33 69.13 2a1f n THR 230 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2a1f h GLU 231 N 0.00 0.23 -6.42 -2.82 4.39 -1.94 -3.46 114.58 104.56 2a1f h GLU 231 Ca 0.00 -0.39 -0.54 0.00 0.34 0.00 0.00 59.36 58.77 2a1f h GLU 231 Cb 0.65 0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 29.44 2a1f h GLU 231 CO 0.00 1.08 0.64 -1.21 -1.16 0.00 0.00 179.01 178.37 2a1f s GLU 232 N -2.62 4.38 1.90 2.33 0.41 -1.26 -4.89 118.70 118.95 2a1f s GLU 232 Ca -0.08 1.77 0.00 0.00 -0.41 0.00 0.00 54.97 56.25 2a1f s GLU 232 Cb 0.07 -3.44 0.00 0.00 -1.78 0.00 0.00 34.13 28.98 2a1f s GLU 232 CO 0.85 -0.36 0.00 0.41 -0.49 0.00 0.00 175.26 175.67 2a1f n GLY 233 N 3.33 -1.33 3.38 -1.39 0.00 -1.26 -4.81 105.19 103.12 2a1f n GLY 233 Ca 0.10 -1.27 -0.33 0.00 0.00 0.00 0.00 46.02 44.52 2a1f n GLY 233 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2a1f s THR 234 N 0.00 3.18 -0.15 2.61 2.01 -0.27 -4.61 115.64 118.41 2a1f s THR 234 Ca 0.00 -0.61 -0.11 0.00 0.31 0.00 0.00 61.69 61.28 2a1f s THR 234 Cb 0.00 -2.36 -0.05 0.00 0.01 0.00 0.00 72.50 70.11 2a1f s THR 234 CO 0.00 0.51 0.21 -0.89 -0.69 0.00 0.00 174.62 173.76 2a1f s THR 235 N 0.45 5.37 -0.21 -0.82 2.01 -0.16 -0.63 115.64 121.65 2a1f s THR 235 Ca -0.08 0.37 -0.00 0.00 0.31 0.00 0.00 61.69 62.28 2a1f s THR 235 Cb -0.15 -3.53 0.02 0.00 0.01 0.00 0.00 72.50 68.85 2a1f s THR 235 CO 0.04 0.48 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.68 2a1f s ILE 236 N -0.07 2.43 0.37 1.82 1.09 0.84 -0.48 121.20 127.20 2a1f s ILE 236 Ca 0.14 -0.95 -0.04 0.00 -1.10 0.00 0.00 60.65 58.70 2a1f s ILE 236 Cb -0.12 -2.12 0.02 0.00 -1.06 0.00 0.00 42.46 39.18 2a1f s ILE 236 CO 0.03 0.40 0.55 0.00 -0.10 0.00 0.00 174.94 175.82 2a1f s GLU 238 N -2.76 4.30 0.63 0.00 2.12 -1.26 -2.36 118.70 119.36 2a1f s GLU 238 Ca 0.28 2.29 -0.16 0.00 0.36 0.00 0.00 54.97 57.74 2a1f s GLU 238 Cb -0.02 -3.07 -0.02 0.00 0.26 0.00 0.00 34.13 31.29 2a1f s GLU 238 CO 0.20 -0.31 1.10 0.20 -0.54 0.00 0.00 175.26 175.91 2a1f s GLY 239 N -0.15 2.23 0.40 -1.50 0.00 -1.26 -4.93 107.32 102.11 2a1f s GLY 239 Ca 0.53 0.57 0.29 0.00 0.00 0.00 0.00 44.72 46.11 2a1f s GLY 239 CO 0.51 0.92 1.86 1.12 0.00 0.00 0.00 173.10 177.50 2a1f h HIS 240 N 0.30 0.00 -0.66 1.90 2.07 -2.02 -3.36 115.15 113.37 2a1f h HIS 240 Ca -0.47 0.00 -0.39 0.00 -2.85 0.00 0.00 60.37 56.66 2a1f h HIS 240 Cb 1.24 0.00 -0.16 0.00 2.57 0.00 0.00 27.41 31.07 2a1f h HIS 240 CO 0.55 0.00 0.42 -2.39 -3.07 0.00 0.00 177.93 173.44 2a1f n HIS 241 N -2.60 1.61 0.00 6.12 1.44 -1.26 -4.35 115.22 116.19 2a1f n HIS 241 Ca 0.01 -2.00 0.00 0.00 -2.01 0.00 0.00 57.72 53.71 2a1f n HIS 241 Cb 0.21 -1.11 0.00 0.00 0.12 0.00 0.00 29.99 29.21 2a1f n HIS 241 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2a1f n HIS 242 N 0.47 0.00 -0.36 -1.40 -0.00 -1.26 -5.30 115.22 107.38 2a1f n HIS 242 Ca 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.09 2a1f n HIS 242 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.57 2a1f n HIS 242 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06