#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qee s SER 2 N 0.00 5.10 -0.71 -1.43 1.04 -1.26 -4.98 113.70 111.46 2qee s SER 2 Ca 0.00 0.10 -0.24 0.00 0.48 0.00 0.00 55.95 56.29 2qee s SER 2 Cb 0.00 -1.40 0.05 0.00 0.10 0.00 0.00 66.02 64.77 2qee s SER 2 CO 0.00 0.37 1.12 -0.63 0.98 0.00 0.00 173.24 175.08 2qee s ILE 3 N -0.87 4.07 -0.09 -1.02 1.01 -1.26 -4.79 121.20 118.24 2qee s ILE 3 Ca 0.13 -0.08 0.13 0.00 0.00 0.00 0.00 60.65 60.83 2qee s ILE 3 Cb -0.11 -4.80 0.20 0.00 0.01 0.00 0.00 42.46 37.75 2qee s ILE 3 CO 0.02 -1.65 1.10 -0.46 0.00 0.00 0.00 174.94 173.95 2qee n ASN 4 N 8.42 1.61 -3.70 3.58 6.94 -1.26 -4.72 115.26 126.13 2qee n ASN 4 Ca 0.01 -2.73 -0.10 0.00 -0.02 0.00 0.00 54.58 51.74 2qee n ASN 4 Cb 0.47 -0.35 -0.05 0.00 -2.36 0.00 0.00 39.78 37.49 2qee n ASN 4 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 2qee s SER 5 N -2.26 -0.19 0.27 0.53 1.04 -1.26 -5.01 113.70 106.81 2qee s SER 5 Ca 0.22 -0.43 -0.01 0.00 0.48 0.00 0.00 55.95 56.21 2qee s SER 5 Cb 0.19 0.48 0.48 0.00 0.10 0.00 0.00 66.02 67.27 2qee s SER 5 CO 0.02 -0.89 1.86 -0.09 0.98 0.00 0.00 173.24 175.11 2qee h ARG 6 N 2.37 1.05 -0.53 4.02 2.43 -1.96 -0.64 114.38 121.11 2qee h ARG 6 Ca -0.33 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.78 2qee h ARG 6 Cb 1.25 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 30.54 2qee h ARG 6 CO 0.45 0.69 0.34 1.49 -1.51 0.00 0.00 179.97 181.44 2qee h GLU 7 N 1.08 0.70 -0.26 0.20 4.81 -2.00 0.13 114.58 119.24 2qee h GLU 7 Ca 0.47 -0.05 -0.17 0.00 -0.13 0.00 0.00 59.36 59.48 2qee h GLU 7 Cb 0.34 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.56 2qee h GLU 7 CO -0.22 0.48 -0.49 0.28 -0.73 0.00 0.00 179.01 178.33 2qee h VAL 8 N 0.72 1.29 -0.49 0.32 2.07 -1.86 -2.86 116.25 115.43 2qee h VAL 8 Ca 0.19 -1.68 0.07 0.00 0.82 0.00 0.00 66.70 66.10 2qee h VAL 8 Cb -0.06 1.69 -0.06 0.00 -1.52 0.00 0.00 31.29 31.34 2qee h VAL 8 CO -0.04 0.54 0.16 0.25 0.02 0.00 0.00 177.57 178.50 2qee h LEU 9 N 0.55 0.13 -0.56 2.57 5.85 -0.87 -1.34 115.31 121.65 2qee h LEU 9 Ca 0.01 0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.84 2qee h LEU 9 Cb 1.09 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 42.14 2qee h LEU 9 CO 0.11 0.10 0.31 0.00 -0.34 0.00 0.00 178.44 178.62 2qee h ALA 10 N 1.35 0.72 -0.17 1.25 0.00 -0.54 0.14 119.26 122.01 2qee h ALA 10 Ca 0.24 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2qee h ALA 10 Cb 0.28 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2qee h ALA 10 CO -0.26 0.00 0.11 1.49 0.00 0.00 0.00 179.25 180.59 2qee h GLU 11 N 0.61 0.23 -0.52 0.00 4.81 -1.27 -1.15 114.58 117.28 2qee h GLU 11 Ca 0.24 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.39 2qee h GLU 11 Cb 0.09 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 2qee h GLU 11 CO -0.13 0.17 0.10 0.87 -0.73 0.00 0.00 179.01 179.29 2qee h LYS 12 N 0.22 0.85 -0.12 1.92 1.79 -0.65 -1.25 116.57 119.34 2qee h LYS 12 Ca 0.06 -0.22 -0.03 0.00 -2.18 0.00 0.00 60.65 58.29 2qee h LYS 12 Cb -0.00 -0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 30.54 2qee h LYS 12 CO -0.01 0.83 -0.03 0.28 -1.08 0.00 0.00 179.45 179.44 2qee h VAL 13 N 0.74 1.29 -0.62 0.50 2.07 -0.72 0.04 116.25 119.55 2qee h VAL 13 Ca 0.16 -0.96 0.04 0.00 0.82 0.00 0.00 66.70 66.76 2qee h VAL 13 Cb 0.37 1.68 -0.04 0.00 -1.52 0.00 0.00 31.29 31.78 2qee h VAL 13 CO 0.01 0.28 0.36 0.11 0.02 0.00 0.00 177.57 178.34 2qee h LYS 14 N -0.08 0.68 -0.08 1.57 1.57 -1.13 0.64 116.57 119.73 2qee h LYS 14 Ca 0.03 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2qee h LYS 14 Cb 0.44 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 2qee h LYS 14 CO 0.01 0.45 0.04 -0.91 -0.57 0.00 0.00 179.45 178.47 2qee h ASN 15 N 0.70 0.10 -0.14 0.86 -0.26 -1.15 0.36 115.58 116.04 2qee h ASN 15 Ca 0.26 -0.09 0.01 0.00 -0.56 0.00 0.00 56.30 55.93 2qee h ASN 15 Cb 0.08 -0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 37.30 2qee h ASN 15 CO -0.13 0.16 0.05 0.00 -1.06 0.00 0.00 177.43 176.45 2qee h ALA 16 N 0.95 0.16 -0.57 -0.83 0.00 -0.60 -0.45 119.26 117.91 2qee h ALA 16 Ca 0.03 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2qee h ALA 16 Cb 0.08 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2qee h ALA 16 CO -0.00 -0.39 0.32 0.28 0.00 0.00 0.00 179.25 179.45 2qee h VAL 17 N 0.12 1.18 -0.71 0.00 2.07 -0.76 -0.96 116.25 117.20 2qee h VAL 17 Ca 0.06 -0.45 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 2qee h VAL 17 Cb 0.03 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.22 2qee h VAL 17 CO -0.06 0.19 0.36 0.78 0.02 0.00 0.00 177.57 178.86 2qee h ASN 18 N 0.76 0.91 1.30 0.57 2.35 -0.67 -3.13 115.58 117.67 2qee h ASN 18 Ca 0.20 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 2qee h ASN 18 Cb 0.03 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.17 2qee h ASN 18 CO -0.03 0.77 -0.27 0.78 -1.65 0.00 0.00 177.43 177.03 2qee h ASN 19 N 0.98 0.00 -2.70 5.81 2.35 -0.78 -3.46 115.58 117.79 2qee h ASN 19 Ca 0.25 -0.07 -0.56 0.00 -0.55 0.00 0.00 56.30 55.37 2qee h ASN 19 Cb 0.09 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 2qee h ASN 19 CO -0.03 0.04 1.07 -1.58 -1.65 0.00 0.00 177.43 175.27 2qee s GLN 20 N -3.15 4.08 0.33 0.81 2.00 -0.39 -4.99 119.66 118.36 2qee s GLN 20 Ca 0.08 1.95 -0.29 0.00 -2.00 0.00 0.00 55.36 55.10 2qee s GLN 20 Cb 0.12 -3.96 -0.11 0.00 0.80 0.00 0.00 33.01 29.86 2qee s GLN 20 CO 0.66 -0.95 1.40 -2.14 -0.50 0.00 0.00 175.29 173.76 2qee s PRO 21 N 4.12 4.24 -0.07 1.67 0.02 -1.26 -4.92 135.00 138.81 2qee s PRO 21 Ca 0.70 2.37 -0.12 0.00 0.02 0.00 0.00 61.00 63.96 2qee s PRO 21 Cb -0.29 -3.04 -0.05 0.00 0.02 0.00 0.00 34.50 31.14 2qee s PRO 21 CO 0.27 -0.36 0.31 0.08 -0.33 0.00 0.00 177.00 176.96 2qee s VAL 22 N -0.90 5.22 -0.26 3.83 1.01 0.30 -4.68 120.40 124.92 2qee s VAL 22 Ca 0.53 0.61 -0.11 0.00 0.00 0.00 0.00 61.98 63.00 2qee s VAL 22 Cb -0.43 -3.61 -0.05 0.00 0.00 0.00 0.00 36.38 32.29 2qee s VAL 22 CO 0.55 0.55 0.17 -0.89 0.00 0.00 0.00 175.10 175.48 2qee s THR 23 N -0.73 5.29 -0.57 3.92 2.01 -0.46 -0.42 115.64 124.68 2qee s THR 23 Ca 0.20 0.16 -0.17 0.00 0.31 0.00 0.00 61.69 62.19 2qee s THR 23 Cb -0.15 -3.50 0.13 0.00 0.01 0.00 0.00 72.50 68.99 2qee s THR 23 CO 0.09 0.29 0.58 -0.62 -0.69 0.00 0.00 174.62 174.26 2qee s ASP 24 N 1.49 6.21 0.00 3.53 -1.08 0.12 -4.69 116.67 122.25 2qee s ASP 24 Ca 0.07 -1.72 0.25 0.00 -0.52 0.00 0.00 52.55 50.63 2qee s ASP 24 Cb -0.15 -2.24 1.18 0.00 -1.46 0.00 0.00 42.92 40.26 2qee s ASP 24 CO 0.08 -0.93 1.80 1.15 0.52 0.00 0.00 175.17 177.80 2qee n MET 25 N 5.53 1.38 -3.38 4.34 0.00 -1.26 -0.85 117.12 122.88 2qee n MET 25 Ca -0.11 -0.56 -0.07 0.00 0.00 0.00 0.00 57.70 56.95 2qee n MET 25 Cb 0.41 -1.42 -0.07 0.00 0.00 0.00 0.00 33.22 32.14 2qee n MET 25 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 175.97 174.39 2qee s HIS 26 N -1.94 -0.93 0.26 3.17 5.65 -1.26 -4.72 115.29 115.51 2qee s HIS 26 Ca 0.37 1.10 0.02 0.00 0.25 0.00 0.00 55.06 56.80 2qee s HIS 26 Cb 0.19 0.16 -0.04 0.00 -1.18 0.00 0.00 32.58 31.71 2qee s HIS 26 CO 0.30 -0.70 0.19 0.95 -0.65 0.00 0.00 174.74 174.83 2qee s THR 27 N 2.61 0.03 -0.35 0.89 -4.23 -0.50 -1.17 115.64 112.91 2qee s THR 27 Ca 0.11 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.68 2qee s THR 27 Cb -0.15 -2.50 0.48 0.00 1.34 0.00 0.00 72.50 71.68 2qee s THR 27 CO -0.16 0.00 1.47 1.41 -0.54 0.00 0.00 174.62 176.80 2qee n HIS 28 N -0.43 1.90 -3.39 3.99 8.25 0.11 -2.48 115.22 123.17 2qee n HIS 28 Ca 0.04 -2.02 -0.22 0.00 -0.26 0.00 0.00 57.72 55.27 2qee n HIS 28 Cb 0.65 -0.60 -0.00 0.00 1.12 0.00 0.00 29.99 31.15 2qee n HIS 28 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2qee s LEU 29 N -3.45 3.94 0.03 2.41 1.43 -1.19 -4.62 118.68 117.23 2qee s LEU 29 Ca 0.50 0.15 0.03 0.00 -1.03 0.00 0.00 54.13 53.78 2qee s LEU 29 Cb 0.42 -3.03 -0.02 0.00 0.03 0.00 0.00 46.19 43.60 2qee s LEU 29 CO 0.01 -0.42 -0.09 -0.36 0.23 0.00 0.00 176.35 175.72 2qee s PHE 30 N -2.29 0.77 0.18 0.29 0.08 -1.26 -4.32 117.98 111.43 2qee s PHE 30 Ca 0.43 -0.33 -0.32 0.00 0.12 0.00 0.00 56.93 56.83 2qee s PHE 30 Cb -0.10 -0.47 -0.16 0.00 -0.57 0.00 0.00 43.02 41.73 2qee s PHE 30 CO 0.34 -0.03 1.07 0.45 -0.10 0.00 0.00 175.22 176.96 2qee n SER 31 N 2.06 1.01 0.28 1.36 2.88 -1.26 -4.76 113.62 115.19 2qee n SER 31 Ca -0.18 1.15 0.15 0.00 -1.33 0.00 0.00 58.87 58.66 2qee n SER 31 Cb 0.56 -1.18 0.84 0.00 -0.75 0.00 0.00 64.21 63.67 2qee n SER 31 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2qee h PRO 32 N 2.91 0.00 0.00 -1.46 0.13 -1.94 -1.59 132.00 130.05 2qee h PRO 32 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2qee h PRO 32 Cb 1.36 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.49 2qee h PRO 32 CO 0.67 0.07 0.00 0.27 -0.23 0.00 0.00 178.00 178.78 2qee n ASN 33 N -3.54 0.00 -0.13 1.44 6.94 -1.26 -2.34 115.26 116.37 2qee n ASN 33 Ca -0.02 -0.04 0.14 0.00 -0.02 0.00 0.00 54.58 54.64 2qee n ASN 33 Cb 0.19 -0.24 0.66 0.00 -2.36 0.00 0.00 39.78 38.02 2qee n ASN 33 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 2qee n PHE 34 N -1.24 0.00 -1.40 -2.53 3.01 -0.60 -5.03 117.46 109.67 2qee n PHE 34 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.55 2qee n PHE 34 Cb 0.12 -0.15 0.00 0.00 -0.01 0.00 0.00 39.48 39.44 2qee n PHE 34 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2qee n GLY 35 N 1.23 -0.93 0.00 1.37 0.00 -0.99 -4.47 105.19 101.41 2qee n GLY 35 Ca 0.16 -1.67 0.07 0.00 0.00 0.00 0.00 46.02 44.58 2qee n GLY 35 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2qee n GLU 36 N 0.00 0.19 0.20 1.61 -0.58 -1.26 -2.40 120.64 118.41 2qee n GLU 36 Ca 0.00 0.16 0.14 0.00 -0.42 0.00 0.00 57.16 57.04 2qee n GLU 36 Cb 0.00 -1.50 0.52 0.00 -0.57 0.00 0.00 31.44 29.89 2qee n GLU 36 CO 0.00 0.00 0.00 -0.84 -0.48 0.00 0.00 177.13 175.81 2qee h ILE 37 N 0.00 0.00 -3.03 -3.67 3.07 -1.97 -3.38 117.51 108.53 2qee h ILE 37 Ca 0.00 -0.49 -0.56 0.00 1.55 0.00 0.00 64.86 65.36 2qee h ILE 37 Cb 0.13 1.40 -0.05 0.00 -0.27 0.00 0.00 36.82 38.03 2qee h ILE 37 CO 0.00 0.00 1.12 -0.22 -1.05 0.00 0.00 178.15 178.00 2qee s LEU 38 N -5.45 3.52 0.04 0.16 2.96 -1.01 -4.77 118.68 114.13 2qee s LEU 38 Ca 0.04 0.73 -0.20 0.00 -0.22 0.00 0.00 54.13 54.48 2qee s LEU 38 Cb 0.09 -3.37 -0.06 0.00 0.50 0.00 0.00 46.19 43.35 2qee s LEU 38 CO 0.52 -1.58 0.59 -0.76 -1.32 0.00 0.00 176.35 173.79 2qee s LEU 39 N 5.96 4.47 -0.02 -0.68 1.43 -1.26 -5.01 118.68 123.57 2qee s LEU 39 Ca 0.62 1.22 -0.26 0.00 -1.03 0.00 0.00 54.13 54.68 2qee s LEU 39 Cb -0.14 -2.92 0.06 0.00 0.03 0.00 0.00 46.19 43.22 2qee s LEU 39 CO 0.30 0.19 0.58 -1.66 0.23 0.00 0.00 176.35 175.99 2qee s TRP 40 N -0.64 -0.52 0.00 0.29 1.48 -1.26 -0.76 118.94 117.53 2qee s TRP 40 Ca 0.30 0.82 0.00 0.00 -1.06 0.00 0.00 56.10 56.16 2qee s TRP 40 Cb -0.19 0.34 0.00 0.00 -1.16 0.00 0.00 33.47 32.46 2qee s TRP 40 CO 0.18 -0.58 0.00 -0.40 -4.06 0.00 0.00 176.95 172.09 2qee n ASP 41 N 0.84 0.00 -0.02 -2.66 5.68 -1.26 -4.59 116.55 114.54 2qee n ASP 41 Ca -0.19 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.10 2qee n ASP 41 Cb 0.58 0.00 0.30 0.00 -1.14 0.00 0.00 41.12 40.86 2qee n ASP 41 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 2qee h ILE 42 N 0.00 1.19 -0.15 2.12 6.09 -1.95 -0.14 117.51 124.66 2qee h ILE 42 Ca 0.00 -0.69 -0.17 0.00 -1.37 0.00 0.00 64.86 62.64 2qee h ILE 42 Cb 0.00 0.82 -0.01 0.00 0.47 0.00 0.00 36.82 38.10 2qee h ILE 42 CO 0.00 0.25 -0.61 0.44 -3.07 0.00 0.00 178.15 175.16 2qee h ASP 43 N 0.56 0.58 -0.69 2.19 3.32 -1.94 -0.73 116.42 119.71 2qee h ASP 43 Ca 0.13 -0.33 -0.07 0.00 0.02 0.00 0.00 57.03 56.77 2qee h ASP 43 Cb 0.25 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 2qee h ASP 43 CO 0.00 1.05 0.14 -0.33 -1.72 0.00 0.00 179.24 178.38 2qee h GLU 44 N 0.38 1.13 -0.34 3.56 4.39 -1.66 -2.31 114.58 119.73 2qee h GLU 44 Ca -0.01 -0.28 -0.02 0.00 0.34 0.00 0.00 59.36 59.39 2qee h GLU 44 Cb 1.16 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 29.65 2qee h GLU 44 CO 0.11 1.01 0.15 -0.07 -1.16 0.00 0.00 179.01 179.05 2qee h LEU 45 N 1.06 0.47 -1.27 1.33 3.38 -0.67 -2.37 115.31 117.24 2qee h LEU 45 Ca 0.21 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 2qee h LEU 45 Cb 0.41 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 2qee h LEU 45 CO 0.01 0.49 -0.11 -0.07 0.09 0.00 0.00 178.44 178.84 2qee h LEU 46 N 0.41 0.00 -2.49 1.67 3.38 -1.09 -3.09 115.31 114.10 2qee h LEU 46 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2qee h LEU 46 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2qee h LEU 46 CO -0.01 0.11 0.00 0.35 0.09 0.00 0.00 178.44 178.98 2qee n THR 47 N -3.25 0.70 -1.46 0.22 -2.24 -0.88 -4.70 114.28 102.67 2qee n THR 47 Ca 0.00 -0.85 -0.44 0.00 -2.27 0.00 0.00 64.05 60.50 2qee n THR 47 Cb 0.37 0.79 -0.01 0.00 -2.10 0.00 0.00 70.33 69.38 2qee n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qee n TYR 48 N 1.38 -0.18 0.25 4.78 9.36 -0.92 -4.71 117.16 127.13 2qee n TYR 48 Ca 0.19 0.72 0.11 0.00 3.32 0.00 0.00 57.90 62.24 2qee n TYR 48 Cb 0.57 -2.03 0.64 0.00 -0.63 0.00 0.00 39.34 37.90 2qee n TYR 48 CO 0.00 0.00 0.00 1.12 0.22 0.00 0.00 176.86 178.20 2qee h HIS 49 N 1.10 0.00 -0.86 2.98 2.07 -1.92 -1.19 115.15 117.32 2qee h HIS 49 Ca -0.37 0.00 0.06 0.00 -2.85 0.00 0.00 60.37 57.21 2qee h HIS 49 Cb 1.40 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 31.32 2qee h HIS 49 CO 0.40 0.16 0.54 1.88 -3.07 0.00 0.00 177.93 177.84 2qee h TYR 50 N 0.00 1.00 0.00 6.12 -1.99 -1.94 -1.60 116.97 118.56 2qee h TYR 50 Ca -0.00 0.03 -0.13 0.00 2.00 0.00 0.00 58.73 60.63 2qee h TYR 50 Cb 0.40 -0.32 -0.02 0.00 2.00 0.00 0.00 36.73 38.79 2qee h TYR 50 CO 0.00 0.51 -0.60 -0.07 -0.00 0.00 0.00 178.16 178.00 2qee h LEU 51 N 0.98 0.00 -0.24 3.88 3.38 -1.53 -2.99 115.31 118.79 2qee h LEU 51 Ca 0.38 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.34 2qee h LEU 51 Cb 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2qee h LEU 51 CO -0.17 0.60 0.14 0.58 0.09 0.00 0.00 178.44 179.68 2qee h VAL 52 N 0.00 1.11 -0.50 1.22 2.07 -0.88 0.31 116.25 119.58 2qee h VAL 52 Ca -0.01 -0.28 0.07 0.00 0.82 0.00 0.00 66.70 67.31 2qee h VAL 52 Cb 1.27 0.85 -0.06 0.00 -1.52 0.00 0.00 31.29 31.83 2qee h VAL 52 CO 0.08 0.11 0.16 0.00 0.02 0.00 0.00 177.57 177.93 2qee h ALA 53 N 1.03 0.59 -0.41 1.67 0.00 -1.35 -2.40 119.26 118.39 2qee h ALA 53 Ca 0.09 0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 2qee h ALA 53 Cb 0.05 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2qee h ALA 53 CO -0.01 -0.24 -0.22 0.93 0.00 0.00 0.00 179.25 179.71 2qee h GLU 54 N 0.32 0.82 -0.36 0.00 5.08 -1.33 -2.92 114.58 116.20 2qee h GLU 54 Ca 0.24 -0.33 -0.10 0.00 -1.00 0.00 0.00 59.36 58.17 2qee h GLU 54 Cb 0.27 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 2qee h GLU 54 CO -0.26 0.96 -0.19 -0.24 -1.00 0.00 0.00 179.01 178.28 2qee h VAL 55 N 0.72 1.26 0.00 3.13 3.04 -0.73 -2.60 116.25 121.07 2qee h VAL 55 Ca 0.10 -1.26 -0.02 0.00 -1.01 0.00 0.00 66.70 64.51 2qee h VAL 55 Cb 0.74 1.20 -0.00 0.00 -2.01 0.00 0.00 31.29 31.21 2qee h VAL 55 CO 0.06 0.42 -0.10 0.24 -1.01 0.00 0.00 177.57 177.17 2qee h MET 56 N 0.61 0.00 0.00 4.17 2.86 -1.24 0.96 114.93 122.28 2qee h MET 56 Ca 0.09 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.73 2qee h MET 56 Cb 0.66 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.32 2qee h MET 56 CO 0.05 0.10 -0.02 0.00 1.06 0.00 0.00 176.91 178.10 2qee h ARG 57 N 0.00 0.00 0.00 1.72 3.08 -1.37 -3.36 114.38 114.45 2qee h ARG 57 Ca -0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.92 2qee h ARG 57 Cb 0.35 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 2qee h ARG 57 CO 0.01 0.02 -1.45 0.91 -1.07 0.00 0.00 179.97 178.40 2qee n TRP 58 N -3.25 0.00 -2.41 3.04 7.02 0.09 -5.07 117.44 116.86 2qee n TRP 58 Ca -0.02 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.12 2qee n TRP 58 Cb 0.17 -0.30 -0.02 0.00 -2.42 0.00 0.00 31.31 28.74 2qee n TRP 58 CO 0.00 0.00 0.00 -0.08 -2.02 0.00 0.00 177.69 175.59 2qee s THR 59 N -2.16 3.73 -1.63 -0.99 -1.32 0.10 -4.96 115.64 108.41 2qee s THR 59 Ca -0.11 1.02 0.25 0.00 -1.21 0.00 0.00 61.69 61.64 2qee s THR 59 Cb 0.03 -3.42 0.14 0.00 -1.51 0.00 0.00 72.50 67.75 2qee s THR 59 CO 0.17 -0.29 1.41 0.47 -2.21 0.00 0.00 174.62 174.17 2qee n ASP 60 N -1.23 1.12 -4.75 8.08 8.00 -1.26 -4.88 116.55 121.63 2qee n ASP 60 Ca 0.09 -0.91 -0.42 0.00 0.71 0.00 0.00 54.79 54.27 2qee n ASP 60 Cb 0.52 0.27 -0.02 0.00 -0.02 0.00 0.00 41.12 41.88 2qee n ASP 60 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2qee s VAL 61 N -2.61 2.06 0.65 2.53 1.01 -1.26 -4.97 120.40 117.80 2qee s VAL 61 Ca 0.20 0.05 -0.14 0.00 0.00 0.00 0.00 61.98 62.09 2qee s VAL 61 Cb 0.19 -3.03 -0.01 0.00 0.00 0.00 0.00 36.38 33.53 2qee s VAL 61 CO 0.58 0.01 1.08 -0.94 0.00 0.00 0.00 175.10 175.82 2qee s SER 62 N 0.59 5.38 0.29 3.32 1.04 -1.26 -4.86 113.70 118.20 2qee s SER 62 Ca 0.65 1.83 -0.03 0.00 0.48 0.00 0.00 55.95 58.88 2qee s SER 62 Cb -0.48 -2.53 0.41 0.00 0.10 0.00 0.00 66.02 63.52 2qee s SER 62 CO 0.46 -1.44 1.96 -0.29 0.98 0.00 0.00 173.24 174.91 2qee h ILE 63 N -0.07 1.22 0.14 -1.02 6.09 -1.97 0.74 117.51 122.65 2qee h ILE 63 Ca -0.46 -0.40 0.01 0.00 -1.37 0.00 0.00 64.86 62.64 2qee h ILE 63 Cb 1.23 -0.05 -0.02 0.00 0.47 0.00 0.00 36.82 38.44 2qee h ILE 63 CO 0.56 0.21 -0.17 -0.33 -3.07 0.00 0.00 178.15 175.35 2qee h GLU 64 N 1.17 -0.35 -0.32 2.19 3.07 -1.94 -1.20 114.58 117.21 2qee h GLU 64 Ca 0.32 0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 59.17 2qee h GLU 64 Cb -0.12 0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 27.85 2qee h GLU 64 CO -0.07 -0.23 0.03 0.00 -1.40 0.00 0.00 179.01 177.34 2qee h ALA 65 N 0.45 1.47 -0.19 3.43 0.00 -1.83 -2.37 119.26 120.22 2qee h ALA 65 Ca 0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2qee h ALA 65 Cb 0.35 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2qee h ALA 65 CO -0.06 0.38 0.07 0.35 0.00 0.00 0.00 179.25 179.99 2qee h PHE 66 N 0.46 0.29 0.00 0.00 3.57 -0.39 -2.91 116.94 117.97 2qee h PHE 66 Ca 0.10 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 2qee h PHE 66 Cb 0.25 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 38.90 2qee h PHE 66 CO 0.01 0.35 -0.10 -1.49 -2.23 0.00 0.00 178.31 174.85 2qee h TRP 67 N 0.15 0.00 0.00 0.41 -0.00 -0.78 -2.32 115.95 113.41 2qee h TRP 67 Ca 0.06 0.00 -0.02 0.00 -0.00 0.00 0.00 58.89 58.93 2qee h TRP 67 Cb 0.19 0.00 -0.00 0.00 -0.00 0.00 0.00 29.16 29.34 2qee h TRP 67 CO -0.01 0.10 -0.09 0.00 -0.00 0.00 0.00 178.44 178.45 2qee h ALA 68 N 1.90 0.96 -2.38 1.49 0.00 -1.25 -3.45 119.26 116.53 2qee h ALA 68 Ca -0.00 -0.08 -0.51 0.00 0.00 0.00 0.00 54.91 54.32 2qee h ALA 68 Cb 0.54 -0.01 0.11 0.00 0.00 0.00 0.00 17.79 18.43 2qee h ALA 68 CO 0.01 0.11 0.35 -1.64 0.00 0.00 0.00 179.25 178.08 2qee s MET 69 N -3.35 2.56 0.85 0.00 -1.94 -0.88 -5.04 119.30 111.50 2qee s MET 69 Ca 0.04 1.26 -0.11 0.00 -1.71 0.00 0.00 55.69 55.17 2qee s MET 69 Cb 0.07 -1.93 0.10 0.00 2.01 0.00 0.00 34.83 35.08 2qee s MET 69 CO 0.64 -1.42 1.10 -1.54 -0.01 0.00 0.00 175.02 173.79 2qee s SER 70 N -3.02 3.91 0.25 3.03 1.04 -1.26 -4.83 113.70 112.81 2qee s SER 70 Ca 0.64 1.40 -0.05 0.00 0.48 0.00 0.00 55.95 58.42 2qee s SER 70 Cb -0.18 -2.10 0.33 0.00 0.10 0.00 0.00 66.02 64.17 2qee s SER 70 CO 0.49 -2.35 1.87 0.50 0.98 0.00 0.00 173.24 174.73 2qee h LYS 71 N -1.35 1.03 -0.68 4.02 3.64 -1.97 -1.22 116.57 120.05 2qee h LYS 71 Ca -0.48 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 58.79 2qee h LYS 71 Cb 1.28 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 32.84 2qee h LYS 71 CO 0.57 0.68 0.26 -0.09 -2.27 0.00 0.00 179.45 178.60 2qee h ARG 72 N 1.06 1.02 -0.43 1.90 2.43 -1.93 0.57 114.38 119.01 2qee h ARG 72 Ca 0.38 -0.19 -0.12 0.00 -0.81 0.00 0.00 59.98 59.24 2qee h ARG 72 Cb 0.12 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 2qee h ARG 72 CO -0.16 0.86 -0.22 0.93 -1.51 0.00 0.00 179.97 179.87 2qee h GLU 73 N 0.97 0.86 -0.12 0.20 5.08 -1.83 -0.83 114.58 118.90 2qee h GLU 73 Ca 0.22 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 2qee h GLU 73 Cb 0.22 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2qee h GLU 73 CO -0.02 1.00 0.05 1.96 -1.00 0.00 0.00 179.01 181.00 2qee h GLN 74 N 0.75 0.17 -0.49 2.33 4.20 -0.99 -1.34 115.11 119.74 2qee h GLN 74 Ca 0.10 -0.03 0.08 0.00 0.06 0.00 0.00 58.65 58.86 2qee h GLN 74 Cb 0.76 -0.03 -0.06 0.00 0.30 0.00 0.00 27.48 28.44 2qee h GLN 74 CO 0.06 0.25 0.13 0.00 -0.67 0.00 0.00 178.83 178.60 2qee h ALA 75 N 0.91 0.57 -0.69 3.87 0.00 -0.75 0.21 119.26 123.38 2qee h ALA 75 Ca 0.04 0.09 0.10 0.00 0.00 0.00 0.00 54.91 55.14 2qee h ALA 75 Cb 0.14 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 2qee h ALA 75 CO -0.00 -0.28 0.33 -0.44 0.00 0.00 0.00 179.25 178.86 2qee h ASP 76 N 0.27 0.41 -0.14 0.00 3.32 -0.96 0.18 116.42 119.50 2qee h ASP 76 Ca 0.24 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.34 2qee h ASP 76 Cb 0.30 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 2qee h ASP 76 CO -0.29 0.23 0.03 0.25 -1.72 0.00 0.00 179.24 177.73 2qee h LEU 77 N 0.56 0.22 -0.76 1.55 5.85 -0.55 -1.79 115.31 120.39 2qee h LEU 77 Ca 0.35 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 2qee h LEU 77 Cb 0.39 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 2qee h LEU 77 CO -0.28 0.42 0.42 0.40 -0.34 0.00 0.00 178.44 179.05 2qee h ILE 78 N 0.02 1.23 -0.01 4.05 2.04 -0.71 -0.63 117.51 123.49 2qee h ILE 78 Ca 0.04 -0.57 -0.00 0.00 1.00 0.00 0.00 64.86 65.34 2qee h ILE 78 Cb 0.28 0.21 -0.00 0.00 -0.74 0.00 0.00 36.82 36.58 2qee h ILE 78 CO 0.00 0.25 0.01 -0.25 0.00 0.00 0.00 178.15 178.16 2qee h TRP 79 N 1.05 0.01 -0.29 1.37 2.91 -0.89 -1.16 115.95 118.96 2qee h TRP 79 Ca 0.27 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.28 2qee h TRP 79 Cb 0.03 -0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 28.66 2qee h TRP 79 CO -0.00 0.05 0.15 1.49 -1.03 0.00 0.00 178.44 179.09 2qee h GLU 80 N -0.02 0.41 -0.03 2.65 4.57 -1.02 -1.38 114.58 119.75 2qee h GLU 80 Ca 0.00 -0.05 -0.21 0.00 -1.18 0.00 0.00 59.36 57.92 2qee h GLU 80 Cb 0.04 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.55 2qee h GLU 80 CO -0.00 0.37 -0.86 0.93 -1.18 0.00 0.00 179.01 178.27 2qee h GLU 81 N 0.34 0.43 0.00 1.92 4.39 -1.03 -0.53 114.58 120.09 2qee h GLU 81 Ca 0.10 -0.41 0.00 0.00 0.34 0.00 0.00 59.36 59.39 2qee h GLU 81 Cb 0.09 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 2qee h GLU 81 CO -0.01 1.07 -1.61 1.28 -1.16 0.00 0.00 179.01 178.57 2qee n LEU 82 N -3.79 0.17 -0.04 1.33 4.77 -0.45 -3.77 117.00 115.22 2qee n LEU 82 Ca -0.06 -0.10 -0.05 0.00 -0.03 0.00 0.00 56.01 55.77 2qee n LEU 82 Cb 0.79 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.84 2qee n LEU 82 CO 0.50 0.04 -0.74 0.49 -1.33 0.00 0.00 177.39 176.35 2qee n PHE 83 N -1.97 0.00 -0.12 -1.77 3.72 -0.56 -3.23 117.46 113.53 2qee n PHE 83 Ca -0.02 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.12 2qee n PHE 83 Cb 0.42 -0.29 -0.11 0.00 -0.94 0.00 0.00 39.48 38.56 2qee n PHE 83 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 2qee n ILE 84 N -2.65 1.54 0.22 4.37 2.08 -1.00 -4.34 119.36 119.59 2qee n ILE 84 Ca -0.13 -0.32 0.12 0.00 0.56 0.00 0.00 62.75 62.99 2qee n ILE 84 Cb 0.65 -1.87 0.30 0.00 -0.75 0.00 0.00 39.64 37.97 2qee n ILE 84 CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 2qee h LYS 85 N -0.83 0.00 -4.01 0.38 1.57 -1.27 -3.44 116.57 108.98 2qee h LYS 85 Ca -0.57 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.09 2qee h LYS 85 Cb 1.58 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 33.73 2qee h LYS 85 CO -0.30 0.07 -0.58 1.03 -0.57 0.00 0.00 179.45 179.11 2qee s ARG 86 N -3.32 0.62 0.25 3.15 3.00 -1.25 -5.03 118.95 116.36 2qee s ARG 86 Ca 0.05 -0.98 -0.30 0.00 0.00 0.00 0.00 55.73 54.50 2qee s ARG 86 Cb 0.07 0.23 -0.09 0.00 0.00 0.00 0.00 34.95 35.15 2qee s ARG 86 CO 0.65 -0.14 1.29 -1.12 0.00 0.00 0.00 175.30 175.97 2qee s SER 87 N -2.54 6.90 -1.33 0.23 0.01 -1.26 -3.31 113.70 112.39 2qee s SER 87 Ca 0.01 2.47 -0.08 0.00 1.31 0.00 0.00 55.95 59.66 2qee s SER 87 Cb 0.03 -2.62 -0.08 0.00 0.21 0.00 0.00 66.02 63.56 2qee s SER 87 CO -0.08 -0.49 2.64 -0.81 0.41 0.00 0.00 173.24 174.91 2qee n PRO 88 N 1.95 3.06 0.11 12.44 -0.04 -1.20 -4.63 135.00 146.69 2qee n PRO 88 Ca 0.04 -1.89 0.13 0.00 -0.04 0.00 0.00 63.50 61.73 2qee n PRO 88 Cb 0.43 -2.65 0.28 0.00 -0.04 0.00 0.00 33.50 31.52 2qee n PRO 88 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 2qee h VAL 89 N 3.16 0.00 -4.23 0.52 -1.51 -1.90 -3.10 116.25 109.19 2qee h VAL 89 Ca 0.72 -0.60 -0.51 0.00 -1.23 0.00 0.00 66.70 65.08 2qee h VAL 89 Cb 0.25 1.47 0.15 0.00 -2.13 0.00 0.00 31.29 31.02 2qee h VAL 89 CO 1.64 0.00 0.28 -0.94 -1.23 0.00 0.00 177.57 177.31 2qee s SER 90 N -4.79 3.89 0.17 4.19 1.04 -1.26 -4.73 113.70 112.20 2qee s SER 90 Ca 0.08 1.83 -0.14 0.00 0.48 0.00 0.00 55.95 58.20 2qee s SER 90 Cb 0.11 -2.46 0.06 0.00 0.10 0.00 0.00 66.02 63.83 2qee s SER 90 CO 0.65 -2.43 1.79 -0.08 0.98 0.00 0.00 173.24 174.15 2qee h GLU 91 N -1.40 0.74 -0.49 4.02 4.57 -1.96 0.19 114.58 120.24 2qee h GLU 91 Ca -0.45 -0.08 -0.11 0.00 -1.18 0.00 0.00 59.36 57.54 2qee h GLU 91 Cb 1.25 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 29.68 2qee h GLU 91 CO 0.50 0.55 -0.14 0.00 -1.18 0.00 0.00 179.01 178.75 2qee h ALA 92 N 1.14 0.84 -0.05 2.92 0.00 -1.94 0.69 119.26 122.86 2qee h ALA 92 Ca 0.19 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 2qee h ALA 92 Cb 0.02 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 2qee h ALA 92 CO -0.03 0.65 -0.04 0.00 0.00 0.00 0.00 179.25 179.83 2qee h ARG 94 N -0.30 0.24 -0.89 0.00 2.43 -0.54 -1.98 114.38 113.35 2qee h ARG 94 Ca 0.01 -0.01 0.14 0.00 -0.81 0.00 0.00 59.98 59.31 2qee h ARG 94 Cb 0.50 -0.05 -0.09 0.00 -0.42 0.00 0.00 29.97 29.91 2qee h ARG 94 CO 0.01 0.16 0.50 0.78 -1.51 0.00 0.00 179.97 179.91 2qee h GLY 95 N 0.25 1.47 1.05 2.80 0.00 -0.64 -1.00 103.07 107.00 2qee h GLY 95 Ca 0.49 -0.30 -0.07 0.00 0.00 0.00 0.00 47.33 47.44 2qee h GLY 95 CO -0.59 0.01 0.11 -2.08 0.00 0.00 0.00 176.54 173.99 2qee h VAL 96 N 0.72 1.26 -0.43 4.60 2.07 -1.16 -1.24 116.25 122.06 2qee h VAL 96 Ca 0.48 -1.01 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 2qee h VAL 96 Cb 0.63 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 2qee h VAL 96 CO -0.34 0.38 0.23 -0.07 0.02 0.00 0.00 177.57 177.79 2qee h LEU 97 N 0.96 0.55 -0.86 2.57 3.38 -1.11 -1.99 115.31 118.80 2qee h LEU 97 Ca 0.19 -0.10 0.04 0.00 0.09 0.00 0.00 57.88 58.10 2qee h LEU 97 Cb 0.43 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 2qee h LEU 97 CO 0.01 0.49 0.55 0.74 0.09 0.00 0.00 178.44 180.32 2qee h THR 98 N 0.57 1.13 -0.24 0.22 2.02 -0.86 -0.92 112.91 114.82 2qee h THR 98 Ca 0.15 -0.37 0.02 0.00 0.77 0.00 0.00 66.41 66.98 2qee h THR 98 Cb 0.07 -0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 66.42 2qee h THR 98 CO -0.02 0.20 0.11 0.00 0.37 0.00 0.00 175.52 176.18 2qee h LEU 100 N 0.25 0.33 -0.62 0.00 3.38 -0.89 -1.82 115.31 115.93 2qee h LEU 100 Ca 0.10 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 2qee h LEU 100 Cb 0.03 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2qee h LEU 100 CO -0.07 0.24 0.10 -0.61 0.09 0.00 0.00 178.44 178.18 2qee h GLN 101 N 0.44 1.04 -0.36 1.13 4.15 -0.98 -1.04 115.11 119.49 2qee h GLN 101 Ca 0.17 -0.28 -0.00 0.00 0.77 0.00 0.00 58.65 59.31 2qee h GLN 101 Cb 0.06 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.61 2qee h GLN 101 CO -0.11 0.97 0.22 0.78 -1.93 0.00 0.00 178.83 178.76 2qee h GLY 102 N 0.95 0.51 1.06 2.39 0.00 -0.65 -0.05 103.07 107.28 2qee h GLY 102 Ca 0.19 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2qee h GLY 102 CO 0.01 0.19 -0.03 1.04 0.00 0.00 0.00 176.54 177.76 2qee n LEU 103 N -4.47 0.22 0.00 3.11 4.77 -0.73 -4.89 117.00 115.03 2qee n LEU 103 Ca 0.02 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 2qee n LEU 103 Cb 0.08 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 2qee n LEU 103 CO 0.35 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 2qee n GLY 104 N 1.18 0.62 3.89 -0.72 0.00 -0.03 -5.06 105.19 105.06 2qee n GLY 104 Ca 0.18 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 2qee n GLY 104 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qee s LEU 105 N 0.00 3.04 -0.33 0.99 1.43 -0.44 -5.00 118.68 118.37 2qee s LEU 105 Ca 0.00 1.04 0.03 0.00 -1.03 0.00 0.00 54.13 54.17 2qee s LEU 105 Cb 0.00 -3.87 0.09 0.00 0.03 0.00 0.00 46.19 42.44 2qee s LEU 105 CO 0.00 -1.21 0.03 -0.62 0.23 0.00 0.00 176.35 174.78 2qee s ASP 106 N -4.32 4.74 0.59 2.29 2.15 -1.26 -3.93 116.67 116.92 2qee s ASP 106 Ca 0.56 -1.99 0.39 0.00 0.43 0.00 0.00 52.55 51.94 2qee s ASP 106 Cb -0.11 -1.63 2.14 0.00 -0.30 0.00 0.00 42.92 43.02 2qee s ASP 106 CO 0.50 -0.35 2.20 -0.65 -0.17 0.00 0.00 175.17 176.70 2qee h PRO 107 N 7.67 0.00 -0.88 4.34 0.11 -1.90 -2.76 132.00 138.59 2qee h PRO 107 Ca -0.08 0.00 0.10 0.00 0.11 0.00 0.00 66.00 66.13 2qee h PRO 107 Cb 1.03 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.07 2qee h PRO 107 CO 0.52 0.00 0.57 0.00 -0.21 0.00 0.00 178.00 178.88 2qee h ALA 108 N 1.99 1.66 0.00 -0.75 0.00 -2.01 -2.47 119.26 117.69 2qee h ALA 108 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2qee h ALA 108 Cb 0.01 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 2qee h ALA 108 CO 0.00 0.15 -0.03 1.79 0.00 0.00 0.00 179.25 181.16 2qee h THR 109 N 0.85 0.05 -2.42 0.00 1.35 -1.93 -3.46 112.91 107.35 2qee h THR 109 Ca 0.41 -0.98 -0.36 0.00 -0.55 0.00 0.00 66.41 64.93 2qee h THR 109 Cb 0.44 1.94 -0.07 0.00 -1.73 0.00 0.00 68.15 68.73 2qee h THR 109 CO -0.18 0.03 -0.41 0.54 -0.25 0.00 0.00 175.52 175.25 2qee n ARG 110 N -3.11 -1.68 -3.08 4.72 1.74 -0.93 -4.87 116.66 109.45 2qee n ARG 110 Ca 0.03 0.94 -0.45 0.00 -0.77 0.00 0.00 57.85 57.61 2qee n ARG 110 Cb 0.50 -5.46 -0.01 0.00 -1.02 0.00 0.00 32.46 26.47 2qee n ARG 110 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2qee s ASP 111 N -2.23 6.93 0.34 0.55 -1.08 -1.26 -4.84 116.67 115.08 2qee s ASP 111 Ca 0.00 -2.77 0.04 0.00 -0.52 0.00 0.00 52.55 49.30 2qee s ASP 111 Cb 0.00 -2.33 0.61 0.00 -1.46 0.00 0.00 42.92 39.74 2qee s ASP 111 CO 0.00 -0.73 1.91 0.25 0.52 0.00 0.00 175.17 177.12 2qee h LEU 112 N 9.02 0.56 -0.19 -1.34 5.85 -1.98 -2.07 115.31 125.16 2qee h LEU 112 Ca 0.21 -0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.90 2qee h LEU 112 Cb 0.95 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.77 2qee h LEU 112 CO 1.07 0.56 -0.20 1.56 -0.34 0.00 0.00 178.44 181.09 2qee h GLN 113 N 0.60 -0.22 -0.55 1.25 1.08 -2.00 0.49 115.11 115.77 2qee h GLN 113 Ca 0.14 0.01 -0.04 0.00 -1.45 0.00 0.00 58.65 57.32 2qee h GLN 113 Cb 0.22 0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.67 2qee h GLN 113 CO -0.00 -0.15 0.20 0.28 -0.95 0.00 0.00 178.83 178.21 2qee h VAL 114 N -0.23 1.21 -0.57 -0.54 2.07 -1.87 -2.12 116.25 114.21 2qee h VAL 114 Ca 0.12 -0.68 -0.05 0.00 0.82 0.00 0.00 66.70 66.91 2qee h VAL 114 Cb 0.41 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 2qee h VAL 114 CO -0.33 0.26 0.15 1.88 0.02 0.00 0.00 177.57 179.56 2qee h TYR 115 N 0.79 0.94 -0.77 1.57 0.05 -0.84 -2.74 116.97 115.98 2qee h TYR 115 Ca 0.19 -0.11 0.04 0.00 0.05 0.00 0.00 58.73 58.90 2qee h TYR 115 Cb 0.19 -0.27 -0.05 0.00 1.01 0.00 0.00 36.73 37.62 2qee h TYR 115 CO 0.01 0.80 0.48 0.00 -1.05 0.00 0.00 178.16 178.41 2qee h ARG 116 N 0.81 0.90 -0.50 4.88 3.08 -0.59 -2.40 114.38 120.55 2qee h ARG 116 Ca 0.18 -0.05 0.10 0.00 0.07 0.00 0.00 59.98 60.28 2qee h ARG 116 Cb 0.33 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.15 2qee h ARG 116 CO -0.00 0.59 0.34 0.93 -1.07 0.00 0.00 179.97 180.76 2qee h GLU 117 N 0.92 0.23 -0.76 0.04 5.08 -1.08 -2.27 114.58 116.74 2qee h GLU 117 Ca 0.32 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.68 2qee h GLU 117 Cb 0.06 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 2qee h GLU 117 CO -0.13 0.15 0.49 -0.92 -1.00 0.00 0.00 179.01 177.60 2qee h TYR 118 N 0.24 0.92 0.00 4.33 3.20 -1.38 -2.68 116.97 121.60 2qee h TYR 118 Ca 0.23 0.02 -0.18 0.00 3.14 0.00 0.00 58.73 61.94 2qee h TYR 118 Cb 0.60 -0.31 -0.03 0.00 1.54 0.00 0.00 36.73 38.54 2qee h TYR 118 CO -0.00 0.55 -0.95 0.74 -1.64 0.00 0.00 178.16 176.86 2qee h PHE 119 N 0.97 0.00 -0.11 -3.82 0.04 -1.52 -3.34 116.94 109.15 2qee h PHE 119 Ca 0.29 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 61.04 2qee h PHE 119 Cb -0.04 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.10 2qee h PHE 119 CO -0.03 0.81 -0.06 0.00 -0.60 0.00 0.00 178.31 178.44 2qee h ALA 120 N 1.19 1.70 -0.41 2.45 0.00 -1.21 -2.00 119.26 120.98 2qee h ALA 120 Ca -0.05 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2qee h ALA 120 Cb 1.66 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.39 2qee h ALA 120 CO 0.10 0.22 0.00 0.36 0.00 0.00 0.00 179.25 179.93 2qee n LYS 121 N -4.38 2.68 -4.39 0.00 2.85 -1.23 -4.96 118.16 108.74 2qee n LYS 121 Ca -0.01 -1.79 -0.28 0.00 -1.05 0.00 0.00 58.31 55.18 2qee n LYS 121 Cb 0.19 -1.64 -0.13 0.00 -0.65 0.00 0.00 35.03 32.80 2qee n LYS 121 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 2qee s LYS 122 N -1.71 1.41 0.45 -1.58 1.02 -0.75 -5.14 119.74 113.44 2qee s LYS 122 Ca 0.32 -1.39 -0.05 0.00 0.02 0.00 0.00 55.97 54.87 2qee s LYS 122 Cb 0.20 -1.84 -0.04 0.00 -0.52 0.00 0.00 37.83 35.63 2qee s LYS 122 CO 0.16 0.42 0.75 0.95 -0.92 0.00 0.00 175.35 176.71 2qee s THR 123 N -1.26 4.91 0.26 2.17 -4.23 -1.26 -4.97 115.64 111.26 2qee s THR 123 Ca 0.15 0.20 -0.03 0.00 -1.18 0.00 0.00 61.69 60.83 2qee s THR 123 Cb -0.09 -3.84 0.26 0.00 1.34 0.00 0.00 72.50 70.17 2qee s THR 123 CO 0.07 -0.74 1.67 0.28 -0.54 0.00 0.00 174.62 175.36 2qee h SER 124 N 0.52 -0.01 -0.50 3.99 0.02 -1.97 -1.26 113.55 114.34 2qee h SER 124 Ca -0.47 0.16 -0.12 0.00 -0.84 0.00 0.00 61.79 60.52 2qee h SER 124 Cb 1.20 0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.95 2qee h SER 124 CO 0.62 -0.07 -0.16 -0.33 -1.14 0.00 0.00 176.83 175.75 2qee h GLU 125 N 0.25 0.99 -0.07 3.45 3.07 -1.94 -0.72 114.58 119.61 2qee h GLU 125 Ca 0.45 -0.40 -0.00 0.00 -0.50 0.00 0.00 59.36 58.91 2qee h GLU 125 Cb 0.81 -0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.67 2qee h GLU 125 CO -0.56 1.07 0.04 0.93 -1.40 0.00 0.00 179.01 179.10 2qee h GLU 126 N 0.85 0.09 -0.23 2.33 5.08 -1.89 -2.40 114.58 118.42 2qee h GLU 126 Ca 0.12 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.42 2qee h GLU 126 Cb 0.73 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 2qee h GLU 126 CO 0.06 0.10 -0.09 0.37 -1.00 0.00 0.00 179.01 178.45 2qee h GLN 127 N 0.06 0.36 -0.18 2.33 5.75 -0.88 0.50 115.11 123.05 2qee h GLN 127 Ca 0.02 -0.08 -0.01 0.00 -0.15 0.00 0.00 58.65 58.43 2qee h GLN 127 Cb 0.03 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.53 2qee h GLN 127 CO -0.00 0.46 0.05 0.28 -2.65 0.00 0.00 178.83 176.97 2qee h VAL 128 N 0.34 1.19 -0.44 2.39 2.07 -1.03 0.17 116.25 120.94 2qee h VAL 128 Ca 0.07 -0.59 0.02 0.00 0.82 0.00 0.00 66.70 67.02 2qee h VAL 128 Cb 0.37 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 2qee h VAL 128 CO 0.02 0.18 0.25 0.44 0.02 0.00 0.00 177.57 178.48 2qee h ASP 129 N 0.10 0.40 0.15 0.57 3.32 -0.88 0.36 116.42 120.45 2qee h ASP 129 Ca 0.06 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 2qee h ASP 129 Cb 0.24 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.71 2qee h ASP 129 CO -0.00 0.29 -0.08 0.74 -1.72 0.00 0.00 179.24 178.46 2qee h THR 130 N 0.51 0.83 -0.26 0.35 2.02 -0.78 -2.63 112.91 112.94 2qee h THR 130 Ca 0.18 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.32 2qee h THR 130 Cb 0.03 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 2qee h THR 130 CO -0.09 0.00 0.01 0.58 0.37 0.00 0.00 175.52 176.39 2qee h VAL 131 N -0.22 1.25 -0.46 3.16 2.07 -0.31 -0.84 116.25 120.90 2qee h VAL 131 Ca -0.02 -0.88 -0.03 0.00 0.82 0.00 0.00 66.70 66.59 2qee h VAL 131 Cb 0.18 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 2qee h VAL 131 CO 0.03 0.28 0.16 -0.07 0.02 0.00 0.00 177.57 177.99 2qee h LEU 132 N 0.24 0.60 -0.03 2.57 3.38 -1.01 0.22 115.31 121.28 2qee h LEU 132 Ca 0.08 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2qee h LEU 132 Cb 0.40 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 2qee h LEU 132 CO 0.01 0.56 -0.02 -0.61 0.09 0.00 0.00 178.44 178.48 2qee h GLN 133 N 0.66 0.07 -0.43 1.13 -0.00 -1.23 -1.51 115.11 113.79 2qee h GLN 133 Ca 0.16 -0.03 -0.08 0.00 -0.00 0.00 0.00 58.65 58.70 2qee h GLN 133 Cb 0.17 -0.00 -0.02 0.00 0.00 0.00 0.00 27.48 27.62 2qee h GLN 133 CO -0.01 0.48 -0.06 -0.07 0.00 0.00 0.00 178.83 179.17 2qee h LEU 134 N -0.34 0.71 -0.38 -2.39 3.38 -0.81 -2.16 115.31 113.31 2qee h LEU 134 Ca 0.01 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2qee h LEU 134 Cb 0.46 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2qee h LEU 134 CO 0.01 0.81 -0.07 0.00 0.09 0.00 0.00 178.44 179.28 2qee n ALA 135 N -2.48 2.72 -3.90 1.53 0.00 0.73 -4.95 120.51 114.16 2qee n ALA 135 Ca 0.02 -0.30 -0.25 0.00 0.00 0.00 0.00 53.44 52.90 2qee n ALA 135 Cb 0.32 -1.32 -0.00 0.00 0.00 0.00 0.00 19.45 18.45 2qee n ALA 135 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2qee n ASN 136 N -0.66 -1.10 -4.45 0.00 5.15 -0.76 -4.82 115.26 108.62 2qee n ASN 136 Ca 0.18 -0.94 -0.36 0.00 -0.60 0.00 0.00 54.58 52.86 2qee n ASN 136 Cb 0.26 -3.38 -0.12 0.00 -0.53 0.00 0.00 39.78 36.01 2qee n ASN 136 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2qee s VAL 137 N -3.78 4.23 -0.04 3.44 1.01 -0.64 -0.53 120.40 124.08 2qee s VAL 137 Ca 0.11 -0.21 0.09 0.00 0.00 0.00 0.00 61.98 61.97 2qee s VAL 137 Cb -0.06 -2.96 -0.23 0.00 0.00 0.00 0.00 36.38 33.13 2qee s VAL 137 CO 0.86 0.37 0.69 0.77 0.00 0.00 0.00 175.10 177.79 2qee h SER 138 N 7.96 0.07 -3.54 3.32 4.64 -1.03 -3.44 113.55 121.52 2qee h SER 138 Ca -0.38 -0.14 -0.22 0.00 -0.47 0.00 0.00 61.79 60.58 2qee h SER 138 Cb 1.17 -0.02 -0.29 0.00 -0.31 0.00 0.00 62.40 62.95 2qee h SER 138 CO 0.59 1.13 -0.55 -1.81 -0.87 0.00 0.00 176.83 175.32 2qee s ASP 139 N -6.30 -0.16 -0.12 4.97 1.01 -1.11 -4.76 116.67 110.21 2qee s ASP 139 Ca -0.07 0.35 0.03 0.00 0.71 0.00 0.00 52.55 53.57 2qee s ASP 139 Cb 0.08 0.28 0.01 0.00 1.01 0.00 0.00 42.92 44.29 2qee s ASP 139 CO 0.82 -0.12 -0.21 -0.69 0.21 0.00 0.00 175.17 175.18 2qee s VAL 140 N 0.80 1.94 -0.22 -1.27 1.01 0.53 -0.70 120.40 122.48 2qee s VAL 140 Ca -0.06 -0.92 -0.12 0.00 0.00 0.00 0.00 61.98 60.88 2qee s VAL 140 Cb -0.08 -1.71 -0.05 0.00 0.00 0.00 0.00 36.38 34.55 2qee s VAL 140 CO -0.04 0.53 0.24 -0.69 0.00 0.00 0.00 175.10 175.14 2qee s VAL 141 N 0.68 5.31 0.72 2.92 1.01 -0.03 -0.38 120.40 130.63 2qee s VAL 141 Ca -0.11 0.37 -0.06 0.00 0.00 0.00 0.00 61.98 62.17 2qee s VAL 141 Cb -0.16 -3.58 0.09 0.00 0.00 0.00 0.00 36.38 32.73 2qee s VAL 141 CO 0.02 0.32 1.02 -0.04 0.00 0.00 0.00 175.10 176.43 2qee s MET 142 N 1.06 1.96 -0.31 2.72 -1.94 0.34 -1.41 119.30 121.72 2qee s MET 142 Ca 0.12 -0.48 -0.02 0.00 -1.71 0.00 0.00 55.69 53.59 2qee s MET 142 Cb -0.14 -2.19 0.05 0.00 2.01 0.00 0.00 34.83 34.56 2qee s MET 142 CO 0.05 -1.36 0.01 0.99 -0.01 0.00 0.00 175.02 174.71 2qee s THR 143 N -3.25 3.11 -0.21 2.05 2.01 -1.03 -3.39 115.64 114.93 2qee s THR 143 Ca 0.62 -1.34 -0.03 0.00 0.31 0.00 0.00 61.69 61.25 2qee s THR 143 Cb -0.09 -2.78 -0.01 0.00 0.01 0.00 0.00 72.50 69.63 2qee s THR 143 CO 0.45 -0.11 -0.06 0.20 -0.69 0.00 0.00 174.62 174.41 2qee s ASN 144 N 1.28 4.24 -0.36 3.53 -0.87 -0.30 -4.96 114.94 117.51 2qee s ASN 144 Ca -0.05 -0.38 -0.03 0.00 -1.57 0.00 0.00 52.86 50.83 2qee s ASN 144 Cb -0.20 -1.72 0.08 0.00 -0.02 0.00 0.00 41.25 39.39 2qee s ASN 144 CO -0.00 0.01 0.12 -0.62 -2.57 0.00 0.00 177.10 174.04 2qee s ASP 145 N 1.31 5.16 0.00 -1.22 -1.08 -1.26 -1.07 116.67 118.51 2qee s ASP 145 Ca 0.04 -1.61 0.17 0.00 -0.52 0.00 0.00 52.55 50.63 2qee s ASP 145 Cb -0.14 -1.80 0.94 0.00 -1.46 0.00 0.00 42.92 40.45 2qee s ASP 145 CO -0.03 -0.41 1.47 -0.81 0.52 0.00 0.00 175.17 175.91 2qee n PRO 146 N 4.65 0.37 0.00 4.34 -0.04 -1.26 -1.88 135.00 141.19 2qee n PRO 146 Ca -0.08 0.07 0.12 0.00 -0.04 0.00 0.00 63.50 63.57 2qee n PRO 146 Cb 0.43 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.52 2qee n PRO 146 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2qee n PHE 147 N -1.16 0.00 -3.38 0.54 3.72 -1.26 -4.73 117.46 111.19 2qee n PHE 147 Ca 0.10 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.11 2qee n PHE 147 Cb 0.10 -0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.55 2qee n PHE 147 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2qee s ASP 148 N -2.12 6.29 0.12 4.37 2.15 -0.79 -4.98 116.67 121.71 2qee s ASP 148 Ca 0.27 0.34 -0.31 0.00 0.43 0.00 0.00 52.55 53.27 2qee s ASP 148 Cb 0.20 -2.22 -0.10 0.00 -0.30 0.00 0.00 42.92 40.50 2qee s ASP 148 CO 0.37 -0.18 1.58 0.44 -0.17 0.00 0.00 175.17 177.21 2qee h ASP 149 N 8.06 -1.38 -0.42 -0.34 3.32 -1.87 0.10 116.42 123.89 2qee h ASP 149 Ca -0.32 0.16 0.05 0.00 0.02 0.00 0.00 57.03 56.95 2qee h ASP 149 Cb 1.16 0.53 -0.08 0.00 0.22 0.00 0.00 39.33 41.16 2qee h ASP 149 CO 0.66 -0.49 -0.54 -1.13 -1.72 0.00 0.00 179.24 176.03 2qee h ASN 150 N -0.62 -1.79 -0.48 6.45 -0.73 -1.95 -2.19 115.58 114.26 2qee h ASN 150 Ca 0.03 0.24 -0.03 0.00 1.87 0.00 0.00 56.30 58.42 2qee h ASN 150 Cb 0.68 0.74 -0.03 0.00 0.27 0.00 0.00 38.32 39.99 2qee h ASN 150 CO -0.32 -0.40 0.22 -0.33 -0.37 0.00 0.00 177.43 176.23 2qee h GLU 151 N -0.38 0.75 -1.00 6.67 5.08 -1.75 -2.65 114.58 121.31 2qee h GLU 151 Ca 0.09 -0.11 0.13 0.00 -1.00 0.00 0.00 59.36 58.47 2qee h GLU 151 Cb 0.59 -0.14 -0.09 0.00 0.50 0.00 0.00 28.75 29.62 2qee h GLU 151 CO -0.60 0.61 0.63 -0.09 -1.00 0.00 0.00 179.01 178.56 2qee h ARG 152 N 0.75 0.93 0.28 2.33 2.43 -0.17 -3.15 114.38 117.78 2qee h ARG 152 Ca 0.18 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.30 2qee h ARG 152 Cb 0.14 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 2qee h ARG 152 CO -0.02 0.61 -0.27 0.82 -1.51 0.00 0.00 179.97 179.61 2qee h ILE 153 N 0.95 0.44 -0.93 1.20 2.04 -1.16 -0.70 117.51 119.36 2qee h ILE 153 Ca 0.50 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.36 2qee h ILE 153 Cb 0.55 0.44 -0.04 0.00 -0.74 0.00 0.00 36.82 37.02 2qee h ILE 153 CO -0.27 0.00 0.57 0.77 0.00 0.00 0.00 178.15 179.22 2qee h SER 154 N -0.58 1.10 -0.59 1.72 4.64 -1.69 0.37 113.55 118.52 2qee h SER 154 Ca -0.01 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 2qee h SER 154 Cb 0.52 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 62.31 2qee h SER 154 CO -0.05 0.84 0.37 -0.50 -0.87 0.00 0.00 176.83 176.62 2qee h TRP 155 N 1.27 0.76 -0.20 4.77 4.06 -1.54 -0.27 115.95 124.79 2qee h TRP 155 Ca 0.33 0.01 -0.12 0.00 2.06 0.00 0.00 58.89 61.17 2qee h TRP 155 Cb -0.07 -0.25 -0.01 0.00 -1.00 0.00 0.00 29.16 27.82 2qee h TRP 155 CO 0.00 0.50 -0.38 -0.07 -3.56 0.00 0.00 178.44 174.93 2qee h LEU 156 N 0.80 0.47 0.00 -4.49 3.38 0.72 -1.96 115.31 114.23 2qee h LEU 156 Ca 0.21 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2qee h LEU 156 Cb -0.06 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.56 2qee h LEU 156 CO -0.04 0.81 0.00 -0.62 0.09 0.00 0.00 178.44 178.67 2qee n GLU 157 N -4.04 0.79 -1.06 1.13 1.02 0.10 -4.90 120.64 113.68 2qee n GLU 157 Ca -0.01 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.11 2qee n GLU 157 Cb 0.48 -1.47 -0.01 0.00 -0.02 0.00 0.00 31.44 30.43 2qee n GLU 157 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qee n GLY 158 N 0.57 0.56 3.72 0.62 0.00 -0.74 -4.99 105.19 104.93 2qee n GLY 158 Ca 0.18 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 2qee n GLY 158 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qee s LYS 159 N -1.45 4.29 -0.03 1.61 2.20 -0.17 -5.01 119.74 121.17 2qee s LYS 159 Ca 0.00 2.17 0.01 0.00 -0.36 0.00 0.00 55.97 57.78 2qee s LYS 159 Cb 0.00 -3.21 -0.03 0.00 -1.51 0.00 0.00 37.83 33.07 2qee s LYS 159 CO 0.00 -0.48 -0.02 -0.65 -0.36 0.00 0.00 175.35 173.83 2qee s GLN 160 N 1.04 2.79 0.60 4.03 -1.52 -1.26 -4.59 119.66 120.74 2qee s GLN 160 Ca 0.66 -0.57 -0.18 0.00 -1.95 0.00 0.00 55.36 53.32 2qee s GLN 160 Cb -0.39 -2.66 -0.03 0.00 -0.22 0.00 0.00 33.01 29.72 2qee s GLN 160 CO 0.31 0.65 1.15 -1.25 -0.25 0.00 0.00 175.29 175.90 2qee s PRO 161 N -1.22 3.00 0.42 2.91 0.04 -1.26 -4.98 135.00 133.90 2qee s PRO 161 Ca 0.16 1.63 -0.21 0.00 0.04 0.00 0.00 61.00 62.62 2qee s PRO 161 Cb -0.11 -1.95 -0.14 0.00 0.04 0.00 0.00 34.50 32.33 2qee s PRO 161 CO 0.06 -1.14 0.24 -3.47 0.04 0.00 0.00 177.00 172.73 2qee n ASP 162 N -1.78 -2.22 0.07 6.66 -0.08 -1.26 -4.84 116.55 113.10 2qee n ASP 162 Ca 0.12 0.83 0.09 0.00 -1.51 0.00 0.00 54.79 54.33 2qee n ASP 162 Cb 0.51 -0.96 0.40 0.00 2.34 0.00 0.00 41.12 43.40 2qee n ASP 162 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 2qee n SER 163 N 1.94 0.34 0.06 1.67 3.41 -1.26 -1.44 113.62 118.34 2qee n SER 163 Ca 0.11 0.59 0.13 0.00 -0.26 0.00 0.00 58.87 59.44 2qee n SER 163 Cb 0.40 -0.66 0.42 0.00 -0.26 0.00 0.00 64.21 64.11 2qee n SER 163 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2qee n ARG 164 N -1.89 0.17 -4.58 4.33 1.74 -1.26 -4.82 116.66 110.35 2qee n ARG 164 Ca 0.02 0.11 -0.33 0.00 -0.77 0.00 0.00 57.85 56.88 2qee n ARG 164 Cb 0.19 -1.67 -0.13 0.00 -1.02 0.00 0.00 32.46 29.82 2qee n ARG 164 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2qee s PHE 165 N -3.07 2.90 0.11 -1.55 0.08 -0.52 -0.35 117.98 115.58 2qee s PHE 165 Ca 0.11 -0.52 0.10 0.00 0.12 0.00 0.00 56.93 56.74 2qee s PHE 165 Cb 0.15 -1.90 -0.04 0.00 -0.57 0.00 0.00 43.02 40.66 2qee s PHE 165 CO 0.60 -0.16 -0.26 -1.01 -0.10 0.00 0.00 175.22 174.30 2qee s HIS 166 N 0.41 2.34 0.24 0.36 3.76 0.49 -4.69 115.29 118.21 2qee s HIS 166 Ca -0.07 -0.37 -0.08 0.00 -0.15 0.00 0.00 55.06 54.39 2qee s HIS 166 Cb -0.15 -1.29 -0.06 0.00 1.11 0.00 0.00 32.58 32.18 2qee s HIS 166 CO 0.04 0.30 0.54 0.00 -0.85 0.00 0.00 174.74 174.77 2qee s ALA 167 N -1.01 3.60 -0.01 -1.40 0.00 -1.26 -0.50 121.76 121.17 2qee s ALA 167 Ca 0.14 -0.39 0.00 0.00 0.00 0.00 0.00 51.96 51.71 2qee s ALA 167 Cb -0.10 -2.37 0.01 0.00 0.00 0.00 0.00 23.12 20.66 2qee s ALA 167 CO 0.06 0.43 0.00 0.00 0.00 0.00 0.00 175.76 176.24 2qee s ALA 168 N -1.90 0.15 -0.38 0.00 0.00 -1.22 -0.74 121.76 117.66 2qee s ALA 168 Ca 0.46 0.09 -0.24 0.00 0.00 0.00 0.00 51.96 52.27 2qee s ALA 168 Cb -0.11 -0.15 0.01 0.00 0.00 0.00 0.00 23.12 22.87 2qee s ALA 168 CO 0.25 -0.03 0.82 -1.17 0.00 0.00 0.00 175.76 175.62 2qee s LEU 169 N 0.49 4.11 -0.15 0.00 2.96 -0.79 -1.15 118.68 124.15 2qee s LEU 169 Ca -0.04 0.31 -0.20 0.00 -0.22 0.00 0.00 54.13 53.98 2qee s LEU 169 Cb -0.07 -3.07 -0.03 0.00 0.50 0.00 0.00 46.19 43.52 2qee s LEU 169 CO -0.01 -0.80 0.60 -0.60 -1.32 0.00 0.00 176.35 174.22 2qee s ARG 170 N 3.23 4.29 0.00 1.98 3.52 -0.23 -0.62 118.95 131.11 2qee s ARG 170 Ca 0.33 0.61 0.07 0.00 -0.13 0.00 0.00 55.73 56.60 2qee s ARG 170 Cb -0.13 -3.51 0.17 0.00 -1.56 0.00 0.00 34.95 29.92 2qee s ARG 170 CO 0.19 -0.07 1.10 1.28 -0.81 0.00 0.00 175.30 176.99 2qee n LEU 171 N 4.42 2.44 -0.18 -0.88 4.77 0.02 -4.47 117.00 123.12 2qee n LEU 171 Ca -0.03 -1.87 -0.01 0.00 -0.03 0.00 0.00 56.01 54.07 2qee n LEU 171 Cb 0.51 -0.12 0.08 0.00 -2.33 0.00 0.00 43.42 41.56 2qee n LEU 171 CO 0.44 0.60 0.91 0.44 -1.33 0.00 0.00 177.39 178.45 2qee h ASP 172 N 1.26 -0.02 -0.92 -1.43 5.19 -1.94 -0.92 116.42 117.64 2qee h ASP 172 Ca 0.00 0.10 -0.01 0.00 -0.62 0.00 0.00 57.03 56.50 2qee h ASP 172 Cb 0.60 0.15 -0.04 0.00 0.18 0.00 0.00 39.33 40.21 2qee h ASP 172 CO 0.00 0.01 0.54 -0.65 -3.12 0.00 0.00 179.24 176.02 2qee h PRO 173 N 0.23 1.25 -0.20 3.56 0.11 -1.94 0.27 132.00 135.29 2qee h PRO 173 Ca 0.28 -0.12 -0.01 0.00 0.11 0.00 0.00 66.00 66.26 2qee h PRO 173 Cb 0.40 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 31.24 2qee h PRO 173 CO -0.37 0.89 0.09 1.25 -0.21 0.00 0.00 178.00 179.64 2qee h LEU 174 N 1.27 0.27 0.12 2.35 5.85 -1.53 -1.74 115.31 121.90 2qee h LEU 174 Ca 0.33 -0.15 -0.32 0.00 0.84 0.00 0.00 57.88 58.58 2qee h LEU 174 Cb -0.04 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 2qee h LEU 174 CO -0.06 0.34 -1.65 -0.07 -0.34 0.00 0.00 178.44 176.66 2qee h LEU 175 N 0.18 0.39 0.00 2.25 4.07 -1.03 -3.28 115.31 117.89 2qee h LEU 175 Ca 0.07 -0.61 -0.08 0.00 0.08 0.00 0.00 57.88 57.34 2qee h LEU 175 Cb 0.15 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 41.75 2qee h LEU 175 CO -0.01 1.52 -1.81 0.59 -1.08 0.00 0.00 178.44 177.65 2qee n ASN 176 N -3.44 0.26 -2.59 -0.43 3.02 0.94 -3.62 115.26 109.40 2qee n ASN 176 Ca -0.20 0.10 -0.10 0.00 -0.03 0.00 0.00 54.58 54.35 2qee n ASN 176 Cb 1.05 1.34 0.03 0.00 -0.61 0.00 0.00 39.78 41.59 2qee n ASN 176 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2qee n GLU 177 N -2.49 2.15 -0.13 3.52 1.02 -0.66 -4.95 120.64 119.11 2qee n GLU 177 Ca -0.09 -3.69 -0.05 0.00 -0.02 0.00 0.00 57.16 53.32 2qee n GLU 177 Cb 0.69 -1.72 0.04 0.00 -0.02 0.00 0.00 31.44 30.42 2qee n GLU 177 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 2qee h TYR 178 N 2.62 0.25 -0.76 -0.32 3.20 -1.60 -0.60 116.97 119.76 2qee h TYR 178 Ca 0.02 0.02 0.17 0.00 3.14 0.00 0.00 58.73 62.08 2qee h TYR 178 Cb 1.26 -0.05 -0.11 0.00 1.54 0.00 0.00 36.73 39.37 2qee h TYR 178 CO 0.61 0.09 0.18 0.93 -1.64 0.00 0.00 178.16 178.32 2qee h GLU 179 N 0.30 0.25 -0.04 1.82 4.39 -1.90 0.66 114.58 120.07 2qee h GLU 179 Ca 0.20 -0.01 -0.24 0.00 0.34 0.00 0.00 59.36 59.65 2qee h GLU 179 Cb 0.19 -0.06 0.01 0.00 -0.10 0.00 0.00 28.75 28.80 2qee h GLU 179 CO -0.21 0.16 -0.93 1.96 -1.16 0.00 0.00 179.01 178.84 2qee h GLN 180 N 0.26 0.60 -0.06 2.33 7.50 -1.83 -3.35 115.11 120.54 2qee h GLN 180 Ca 0.43 -0.59 -0.15 0.00 0.50 0.00 0.00 58.65 58.84 2qee h GLN 180 Cb 0.76 0.16 -0.01 0.00 0.05 0.00 0.00 27.48 28.43 2qee h GLN 180 CO -0.54 1.21 -0.61 1.15 -1.50 0.00 0.00 178.83 178.54 2qee h THR 181 N 0.36 1.39 -0.43 -0.54 2.02 -0.06 -3.25 112.91 112.41 2qee h THR 181 Ca -0.09 -2.00 0.05 0.00 0.77 0.00 0.00 66.41 65.14 2qee h THR 181 Cb 1.56 2.02 -0.02 0.00 -1.74 0.00 0.00 68.15 69.97 2qee h THR 181 CO 0.18 0.59 0.29 0.07 0.37 0.00 0.00 175.52 177.01 2qee h LYS 182 N 0.16 0.38 -0.43 6.66 2.10 -1.05 -1.04 116.57 123.35 2qee h LYS 182 Ca -0.01 -0.02 -0.02 0.00 -2.00 0.00 0.00 60.65 58.60 2qee h LYS 182 Cb 1.11 -0.08 -0.02 0.00 -0.90 0.00 0.00 32.23 32.34 2qee h LYS 182 CO 0.09 0.25 0.19 0.45 -2.00 0.00 0.00 179.45 178.43 2qee h HIS 183 N 0.39 0.64 -0.82 0.07 3.86 -1.77 -0.52 115.15 116.99 2qee h HIS 183 Ca 0.18 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.34 2qee h HIS 183 Cb 0.23 -0.19 -0.04 0.00 1.06 0.00 0.00 27.41 28.47 2qee h HIS 183 CO -0.00 0.54 0.45 0.00 0.86 0.00 0.00 177.93 179.78 2qee h ARG 184 N 0.55 1.14 -0.38 2.45 3.08 -1.42 -1.77 114.38 118.03 2qee h ARG 184 Ca 0.15 -0.13 0.02 0.00 0.07 0.00 0.00 59.98 60.08 2qee h ARG 184 Cb 0.16 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 2qee h ARG 184 CO -0.01 0.84 0.21 -0.07 -1.07 0.00 0.00 179.97 179.87 2qee h LEU 185 N 1.14 0.34 -0.49 3.04 3.38 -0.75 -1.47 115.31 120.49 2qee h LEU 185 Ca 0.29 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 58.18 2qee h LEU 185 Cb 0.02 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 2qee h LEU 185 CO -0.05 0.25 -0.04 0.08 0.09 0.00 0.00 178.44 178.77 2qee h ARG 186 N 0.44 0.89 0.00 1.13 0.11 -0.92 0.19 114.38 116.22 2qee h ARG 186 Ca 0.15 -0.31 0.00 0.00 0.10 0.00 0.00 59.98 59.93 2qee h ARG 186 Cb 0.02 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 31.03 2qee h ARG 186 CO -0.08 0.95 0.00 -0.40 0.10 0.00 0.00 179.97 180.54 2qee n ASP 187 N -4.29 0.00 -0.96 0.08 5.68 -0.68 -0.30 116.55 116.08 2qee n ASP 187 Ca 0.01 -0.98 0.09 0.00 -0.50 0.00 0.00 54.79 53.40 2qee n ASP 187 Cb 0.34 0.00 0.21 0.00 -1.14 0.00 0.00 41.12 40.54 2qee n ASP 187 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 2qee n TRP 188 N -0.83 0.60 -0.44 2.11 8.01 -0.58 -4.97 117.44 121.35 2qee n TRP 188 Ca 0.11 -0.41 0.00 0.00 -1.31 0.00 0.00 57.50 55.89 2qee n TRP 188 Cb 0.05 -0.01 0.00 0.00 -2.01 0.00 0.00 31.31 29.34 2qee n TRP 188 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2qee n GLY 189 N 1.09 0.76 3.58 6.99 0.00 0.58 -5.03 105.19 113.16 2qee n GLY 189 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 2qee n GLY 189 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qee s TYR 190 N -2.29 3.20 -1.28 1.61 2.02 0.58 -4.96 117.35 116.23 2qee s TYR 190 Ca 0.00 0.43 -0.09 0.00 -0.37 0.00 0.00 57.07 57.05 2qee s TYR 190 Cb 0.00 -2.98 0.17 0.00 -0.40 0.00 0.00 41.96 38.75 2qee s TYR 190 CO 0.00 -0.50 1.90 1.63 -1.57 0.00 0.00 175.55 177.01 2qee n LYS 191 N 5.84 3.73 -3.21 -0.62 4.76 -1.26 -2.88 118.16 124.52 2qee n LYS 191 Ca -0.02 -3.56 -0.39 0.00 -2.87 0.00 0.00 58.31 51.47 2qee n LYS 191 Cb 0.49 -2.88 -0.05 0.00 -1.84 0.00 0.00 35.03 30.74 2qee n LYS 191 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2qee s VAL 192 N 0.12 5.07 0.43 -0.18 -7.23 -1.26 -4.40 120.40 112.95 2qee s VAL 192 Ca 0.40 1.17 -0.06 0.00 -1.81 0.00 0.00 61.98 61.68 2qee s VAL 192 Cb 0.10 -3.91 -0.04 0.00 0.56 0.00 0.00 36.38 33.09 2qee s VAL 192 CO 0.00 0.34 0.74 0.20 -0.31 0.00 0.00 175.10 176.07 2qee s ASN 193 N 0.42 6.34 0.53 4.85 0.02 -1.26 -4.96 114.94 120.87 2qee s ASN 193 Ca 0.30 0.91 0.18 0.00 -1.02 0.00 0.00 52.86 53.23 2qee s ASN 193 Cb -0.17 -2.24 1.32 0.00 0.02 0.00 0.00 41.25 40.18 2qee s ASN 193 CO 0.14 -0.47 2.15 0.44 0.02 0.00 0.00 177.10 179.38 2qee h ASP 194 N 0.65 0.00 -2.92 -1.22 3.32 -2.02 -3.42 116.42 110.81 2qee h ASP 194 Ca -0.47 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 55.97 2qee h ASP 194 Cb 1.20 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.71 2qee h ASP 194 CO 0.63 0.00 -0.48 -1.83 -1.72 0.00 0.00 179.24 175.84 2qee s GLU 195 N -5.04 3.46 -1.31 3.56 -1.05 -1.26 -5.01 118.70 112.05 2qee s GLU 195 Ca -0.05 -0.41 -0.13 0.00 -0.15 0.00 0.00 54.97 54.23 2qee s GLU 195 Cb 0.17 -3.01 0.12 0.00 -0.44 0.00 0.00 34.13 30.96 2qee s GLU 195 CO 0.66 0.59 1.84 1.87 0.95 0.00 0.00 175.26 181.17 2qee n TRP 196 N 0.21 3.89 -3.56 4.83 -0.00 -1.26 -4.66 117.44 116.89 2qee n TRP 196 Ca -0.05 -2.98 -0.22 0.00 -0.00 0.00 0.00 57.50 54.26 2qee n TRP 196 Cb 0.51 -2.30 0.02 0.00 -0.00 0.00 0.00 31.31 29.55 2qee n TRP 196 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 177.69 177.96 2qee n ASN 197 N 5.73 2.37 0.26 5.87 0.23 -1.26 -4.93 115.26 123.53 2qee n ASN 197 Ca 0.44 -2.62 0.12 0.00 -0.53 0.00 0.00 54.58 51.99 2qee n ASN 197 Cb 0.40 -0.17 0.77 0.00 -2.08 0.00 0.00 39.78 38.70 2qee n ASN 197 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2qee h GLU 198 N 0.00 0.00 0.69 -3.83 4.57 -1.99 -1.54 114.58 112.48 2qee h GLU 198 Ca -0.29 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 57.85 2qee h GLU 198 Cb 1.16 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.76 2qee h GLU 198 CO 0.45 0.00 -0.33 0.78 -1.18 0.00 0.00 179.01 178.73 2qee h GLY 199 N 0.00 -0.97 0.23 1.92 0.00 -1.93 -1.86 103.07 100.45 2qee h GLY 199 Ca 0.01 0.36 0.12 0.00 0.00 0.00 0.00 47.33 47.82 2qee h GLY 199 CO -0.00 -0.35 0.21 1.76 0.00 0.00 0.00 176.54 178.15 2qee h SER 200 N -1.09 0.15 -0.18 0.19 0.02 -1.60 -1.23 113.55 109.82 2qee h SER 200 Ca -0.10 0.10 0.04 0.00 -0.84 0.00 0.00 61.79 61.00 2qee h SER 200 Cb 0.74 0.11 -0.04 0.00 0.14 0.00 0.00 62.40 63.35 2qee h SER 200 CO 0.16 0.07 -0.09 0.40 -1.14 0.00 0.00 176.83 176.23 2qee h ILE 201 N 0.36 0.71 -0.29 3.27 2.04 -1.32 -1.51 117.51 120.77 2qee h ILE 201 Ca 0.34 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 66.11 2qee h ILE 201 Cb 0.49 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 2qee h ILE 201 CO -0.38 0.00 -0.20 1.56 0.00 0.00 0.00 178.15 179.13 2qee h GLN 202 N -0.07 0.53 0.00 2.37 1.08 -0.44 -1.70 115.11 116.87 2qee h GLN 202 Ca 0.10 -0.18 -0.14 0.00 -1.45 0.00 0.00 58.65 56.98 2qee h GLN 202 Cb 0.22 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.59 2qee h GLN 202 CO -0.23 0.70 -0.67 0.93 -0.95 0.00 0.00 178.83 178.61 2qee h GLU 203 N 0.48 0.00 -0.24 1.46 4.39 -1.12 -0.18 114.58 119.37 2qee h GLU 203 Ca 0.08 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.57 2qee h GLU 203 Cb 0.61 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 2qee h GLU 203 CO 0.04 0.67 -0.64 0.28 -1.16 0.00 0.00 179.01 178.21 2qee h VAL 204 N 0.00 1.27 -0.74 3.13 2.07 -1.07 -2.39 116.25 118.53 2qee h VAL 204 Ca -0.01 -1.82 -0.02 0.00 0.82 0.00 0.00 66.70 65.67 2qee h VAL 204 Cb 1.35 1.76 -0.03 0.00 -1.52 0.00 0.00 31.29 32.84 2qee h VAL 204 CO 0.09 0.59 0.37 0.11 0.02 0.00 0.00 177.57 178.75 2qee h LYS 205 N 0.63 1.05 -0.60 1.57 1.57 -1.19 -0.39 116.57 119.20 2qee h LYS 205 Ca -0.01 -0.14 -0.04 0.00 -1.87 0.00 0.00 60.65 58.59 2qee h LYS 205 Cb 1.26 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 33.35 2qee h LYS 205 CO 0.14 0.80 0.23 -0.09 -0.57 0.00 0.00 179.45 179.96 2qee h ARG 206 N 1.03 0.91 -0.14 3.15 2.43 -1.08 0.12 114.38 120.80 2qee h ARG 206 Ca 0.26 -0.17 0.02 0.00 -0.81 0.00 0.00 59.98 59.27 2qee h ARG 206 Cb 0.09 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 2qee h ARG 206 CO -0.04 0.79 0.03 0.35 -1.51 0.00 0.00 179.97 179.59 2qee h PHE 207 N 0.84 0.04 -0.45 2.20 3.57 -0.97 0.72 116.94 122.90 2qee h PHE 207 Ca 0.20 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.74 2qee h PHE 207 Cb 0.23 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.93 2qee h PHE 207 CO 0.01 0.02 0.23 -0.07 -2.23 0.00 0.00 178.31 176.27 2qee h LEU 208 N 0.08 0.34 -0.79 0.59 3.38 -0.87 -2.63 115.31 115.41 2qee h LEU 208 Ca 0.06 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 2qee h LEU 208 Cb 0.05 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 2qee h LEU 208 CO -0.08 0.24 0.23 0.74 0.09 0.00 0.00 178.44 179.66 2qee h THR 209 N 0.46 1.26 -0.56 0.22 2.02 -0.37 -0.04 112.91 115.90 2qee h THR 209 Ca 0.19 -0.90 -0.03 0.00 0.77 0.00 0.00 66.41 66.44 2qee h THR 209 Cb 0.09 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 2qee h THR 209 CO -0.13 0.35 0.23 0.44 0.37 0.00 0.00 175.52 176.78 2qee h ASP 210 N 1.09 0.77 0.23 4.18 3.32 -0.78 -1.22 116.42 124.00 2qee h ASP 210 Ca 0.24 -0.17 -0.16 0.00 0.02 0.00 0.00 57.03 56.96 2qee h ASP 210 Cb 0.30 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 2qee h ASP 210 CO -0.01 0.73 -0.62 -0.50 -1.72 0.00 0.00 179.24 177.11 2qee h TRP 211 N 0.76 0.50 -0.09 4.55 4.06 -1.09 -1.18 115.95 123.46 2qee h TRP 211 Ca 0.19 -0.19 0.02 0.00 2.06 0.00 0.00 58.89 60.97 2qee h TRP 211 Cb 0.20 -0.09 -0.03 0.00 -1.00 0.00 0.00 29.16 28.24 2qee h TRP 211 CO 0.01 0.91 -0.06 0.82 -3.56 0.00 0.00 178.44 176.55 2qee h ILE 212 N 0.28 0.82 -1.00 1.49 2.04 -0.91 -0.11 117.51 120.11 2qee h ILE 212 Ca -0.01 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.86 2qee h ILE 212 Cb 1.16 0.82 -0.05 0.00 -0.74 0.00 0.00 36.82 38.01 2qee h ILE 212 CO 0.11 0.00 0.66 -0.08 0.00 0.00 0.00 178.15 178.84 2qee h GLU 213 N -0.06 1.30 0.03 2.37 4.81 -0.97 0.18 114.58 122.24 2qee h GLU 213 Ca 0.06 -0.08 -0.23 0.00 -0.13 0.00 0.00 59.36 58.98 2qee h GLU 213 Cb 0.15 -0.29 -0.00 0.00 0.63 0.00 0.00 28.75 29.23 2qee h GLU 213 CO -0.13 0.86 -1.00 -0.09 -0.73 0.00 0.00 179.01 177.92 2qee h ARG 214 N 1.34 0.33 0.00 1.92 2.43 -0.98 -3.36 114.38 116.06 2qee h ARG 214 Ca 0.37 -0.39 -0.30 0.00 -0.81 0.00 0.00 59.98 58.85 2qee h ARG 214 Cb -0.14 0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 29.48 2qee h ARG 214 CO -0.08 1.10 -2.27 -1.33 -1.51 0.00 0.00 179.97 175.88 2qee n MET 215 N -3.67 0.83 -3.67 0.20 2.81 -0.08 -5.02 117.12 108.52 2qee n MET 215 Ca -0.06 -0.04 -0.25 0.00 -1.81 0.00 0.00 57.70 55.54 2qee n MET 215 Cb 0.87 -1.49 0.04 0.00 -0.71 0.00 0.00 33.22 31.93 2qee n MET 215 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2qee n ASP 216 N -2.64 -3.43 -4.77 7.83 2.03 0.61 -4.61 116.55 111.57 2qee n ASP 216 Ca -0.27 -0.91 -0.36 0.00 0.52 0.00 0.00 54.79 53.77 2qee n ASP 216 Cb 1.04 -3.80 -0.01 0.00 -0.72 0.00 0.00 41.12 37.63 2qee n ASP 216 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2qee s PRO 217 N -5.85 3.60 0.26 -0.67 0.04 -1.26 -4.62 135.00 126.50 2qee s PRO 217 Ca 0.25 1.66 0.13 0.00 0.04 0.00 0.00 61.00 63.08 2qee s PRO 217 Cb -0.08 -2.21 0.17 0.00 0.04 0.00 0.00 34.50 32.42 2qee s PRO 217 CO 0.83 -0.65 1.49 -0.39 0.04 0.00 0.00 177.00 178.32 2qee h VAL 218 N 1.57 1.18 -3.38 -0.36 -1.51 -1.29 -3.47 116.25 108.99 2qee h VAL 218 Ca -0.50 -2.38 -0.01 0.00 -1.23 0.00 0.00 66.70 62.58 2qee h VAL 218 Cb 1.25 2.39 -0.08 0.00 -2.13 0.00 0.00 31.29 32.72 2qee h VAL 218 CO 0.59 0.61 0.01 -0.72 -1.23 0.00 0.00 177.57 176.83 2qee s TYR 219 N -3.13 0.07 -0.07 5.19 -0.85 -1.26 -4.25 117.35 113.05 2qee s TYR 219 Ca 0.02 -0.45 0.00 0.00 -0.52 0.00 0.00 57.07 56.12 2qee s TYR 219 Cb 0.10 0.38 -0.03 0.00 0.38 0.00 0.00 41.96 42.79 2qee s TYR 219 CO 0.75 -1.02 -0.04 -1.64 -1.52 0.00 0.00 175.55 172.08 2qee s MET 220 N -3.94 2.82 0.10 -3.49 -1.94 -0.63 -1.89 119.30 110.32 2qee s MET 220 Ca 0.15 -0.51 0.07 0.00 -1.71 0.00 0.00 55.69 53.69 2qee s MET 220 Cb -0.02 -2.66 -0.03 0.00 2.01 0.00 0.00 34.83 34.13 2qee s MET 220 CO 0.04 0.67 -0.19 0.00 -0.01 0.00 0.00 175.02 175.54 2qee s ALA 221 N -0.86 1.65 -0.02 3.03 0.00 0.20 -0.40 121.76 125.36 2qee s ALA 221 Ca 0.13 -1.19 -0.12 0.00 0.00 0.00 0.00 51.96 50.78 2qee s ALA 221 Cb -0.11 -0.20 0.02 0.00 0.00 0.00 0.00 23.12 22.82 2qee s ALA 221 CO 0.02 0.30 0.25 0.54 0.00 0.00 0.00 175.76 176.88 2qee s VAL 222 N -1.24 0.06 -0.04 0.00 0.11 -0.45 -0.80 120.40 118.03 2qee s VAL 222 Ca 0.05 -0.46 -0.01 0.00 -2.93 0.00 0.00 61.98 58.62 2qee s VAL 222 Cb -0.10 -0.52 -0.04 0.00 -1.53 0.00 0.00 36.38 34.19 2qee s VAL 222 CO 0.04 -0.25 0.05 -0.94 -3.33 0.00 0.00 175.10 170.66 2qee s SER 223 N -1.11 5.49 0.05 3.54 1.04 -1.26 -1.12 113.70 120.34 2qee s SER 223 Ca -0.12 0.15 0.04 0.00 0.48 0.00 0.00 55.95 56.50 2qee s SER 223 Cb -0.05 -1.57 -0.03 0.00 0.10 0.00 0.00 66.02 64.47 2qee s SER 223 CO 0.03 0.32 -0.11 -0.76 0.98 0.00 0.00 173.24 173.70 2qee s LEU 224 N -1.34 2.25 0.80 2.42 1.43 0.56 -4.93 118.68 119.87 2qee s LEU 224 Ca 0.18 -0.56 -0.12 0.00 -1.03 0.00 0.00 54.13 52.60 2qee s LEU 224 Cb -0.12 -0.34 0.07 0.00 0.03 0.00 0.00 46.19 45.83 2qee s LEU 224 CO 0.08 -0.13 1.17 -2.16 0.23 0.00 0.00 176.35 175.54 2qee s PRO 225 N -1.59 2.05 0.58 1.29 0.04 -1.25 -0.48 135.00 135.64 2qee s PRO 225 Ca -0.06 0.17 0.27 0.00 0.04 0.00 0.00 61.00 61.43 2qee s PRO 225 Cb -0.10 -1.95 1.68 0.00 0.04 0.00 0.00 34.50 34.17 2qee s PRO 225 CO 0.01 -1.55 2.19 -1.35 0.04 0.00 0.00 177.00 176.34 2qee h PRO 226 N -1.02 0.00 -0.02 0.56 0.11 -1.77 -1.44 132.00 128.42 2qee h PRO 226 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2qee h PRO 226 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 2qee h PRO 226 CO 0.65 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.69 2qee n THR 227 N -3.96 0.02 -1.60 -1.15 -2.24 -1.26 -3.95 114.28 100.14 2qee n THR 227 Ca -0.01 -0.12 -0.57 0.00 -2.27 0.00 0.00 64.05 61.08 2qee n THR 227 Cb 0.17 -0.06 -0.07 0.00 -2.10 0.00 0.00 70.33 68.27 2qee n THR 227 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 2qee n PHE 228 N -0.46 1.34 -3.99 4.78 7.35 -0.54 -4.97 117.46 120.98 2qee n PHE 228 Ca 0.20 0.81 -0.11 0.00 -0.76 0.00 0.00 57.45 57.59 2qee n PHE 228 Cb 0.20 -2.26 -0.12 0.00 0.35 0.00 0.00 39.48 37.65 2qee n PHE 228 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 2qee s SER 229 N 1.05 0.33 -0.21 -2.13 1.04 -1.26 -4.68 113.70 107.84 2qee s SER 229 Ca 0.91 -0.38 -0.15 0.00 0.48 0.00 0.00 55.95 56.82 2qee s SER 229 Cb -1.13 0.06 0.06 0.00 0.10 0.00 0.00 66.02 65.11 2qee s SER 229 CO 0.57 -0.19 0.53 0.12 0.98 0.00 0.00 173.24 175.24 2qee s PHE 230 N -1.05 -0.72 0.89 5.02 2.19 -1.26 -4.47 117.98 118.58 2qee s PHE 230 Ca -0.10 1.57 -0.11 0.00 0.33 0.00 0.00 56.93 58.62 2qee s PHE 230 Cb -0.07 0.34 0.12 0.00 -1.31 0.00 0.00 43.02 42.10 2qee s PHE 230 CO -0.00 -0.37 1.11 -2.14 1.83 0.00 0.00 175.22 175.64 2qee s PRO 231 N 1.04 1.31 -0.25 10.12 0.02 -1.26 -4.18 135.00 141.81 2qee s PRO 231 Ca -0.06 1.22 -0.18 0.00 0.02 0.00 0.00 61.00 62.00 2qee s PRO 231 Cb -0.06 -1.78 0.07 0.00 0.02 0.00 0.00 34.50 32.75 2qee s PRO 231 CO -0.10 -2.32 0.63 -2.00 -0.33 0.00 0.00 177.00 172.88 2qee s GLU 232 N -4.77 0.69 -1.34 5.54 2.12 -1.26 -5.06 118.70 114.61 2qee s GLU 232 Ca 0.64 1.00 -0.17 0.00 0.36 0.00 0.00 54.97 56.81 2qee s GLU 232 Cb -0.20 0.23 0.07 0.00 0.26 0.00 0.00 34.13 34.49 2qee s GLU 232 CO 0.58 -0.12 1.87 0.39 -0.54 0.00 0.00 175.26 177.43 2qee n GLU 233 N 3.50 3.12 -4.13 4.30 -0.58 -1.26 -3.99 120.64 121.60 2qee n GLU 233 Ca -0.17 -3.12 -0.11 0.00 -0.42 0.00 0.00 57.16 53.34 2qee n GLU 233 Cb 0.57 -3.42 -0.08 0.00 -0.57 0.00 0.00 31.44 27.93 2qee n GLU 233 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2qee s SER 234 N 3.86 0.09 0.19 1.62 1.04 -1.26 -5.01 113.70 114.23 2qee s SER 234 Ca 0.52 -1.23 -0.12 0.00 0.48 0.00 0.00 55.95 55.59 2qee s SER 234 Cb 0.07 0.46 0.12 0.00 0.10 0.00 0.00 66.02 66.77 2qee s SER 234 CO 0.03 -0.95 1.83 0.78 0.98 0.00 0.00 173.24 175.90 2qee h ASN 235 N 2.48 0.58 -0.14 7.02 2.35 -1.90 -0.25 115.58 125.71 2qee h ASN 235 Ca -0.32 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.43 2qee h ASN 235 Cb 1.25 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 39.49 2qee h ASN 235 CO 0.46 0.41 0.09 -0.09 -1.65 0.00 0.00 177.43 176.65 2qee h ARG 236 N 0.70 0.19 -0.75 0.81 2.43 -1.90 0.08 114.38 115.94 2qee h ARG 236 Ca 0.23 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.39 2qee h ARG 236 Cb 0.01 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.48 2qee h ARG 236 CO -0.09 0.14 0.50 0.78 -1.51 0.00 0.00 179.97 179.78 2qee h GLY 237 N 0.19 1.06 0.65 2.80 0.00 -1.61 -0.94 103.07 105.22 2qee h GLY 237 Ca 0.05 -0.40 -0.10 0.00 0.00 0.00 0.00 47.33 46.88 2qee h GLY 237 CO -0.01 0.39 -0.39 3.21 0.00 0.00 0.00 176.54 179.74 2qee h ARG 238 N 1.02 0.31 -0.53 4.80 3.08 -0.74 -2.09 114.38 120.23 2qee h ARG 238 Ca 0.28 -0.30 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 2qee h ARG 238 Cb -0.12 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 29.98 2qee h ARG 238 CO -0.06 0.98 0.32 0.82 -1.07 0.00 0.00 179.97 180.95 2qee h ILE 239 N -0.24 1.16 0.04 2.04 2.04 -0.94 0.35 117.51 121.95 2qee h ILE 239 Ca -0.04 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.46 2qee h ILE 239 Cb 1.09 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 2qee h ILE 239 CO 0.08 0.17 -0.05 0.40 0.00 0.00 0.00 178.15 178.75 2qee h ILE 240 N 0.71 0.89 -0.09 -0.67 2.04 -1.24 0.13 117.51 119.28 2qee h ILE 240 Ca 0.19 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.04 2qee h ILE 240 Cb -0.01 0.89 -0.00 0.00 -0.74 0.00 0.00 36.82 36.95 2qee h ILE 240 CO -0.04 0.00 0.03 -0.09 0.00 0.00 0.00 178.15 178.05 2qee h ARG 241 N -0.10 0.13 0.00 2.37 2.43 -1.10 -1.83 114.38 116.28 2qee h ARG 241 Ca 0.01 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.05 2qee h ARG 241 Cb 0.11 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 2qee h ARG 241 CO -0.02 0.29 -1.26 -0.25 -1.51 0.00 0.00 179.97 177.21 2qee n ASP 242 N -4.91 0.83 0.03 -3.80 8.00 0.12 -4.52 116.55 112.30 2qee n ASP 242 Ca -0.06 0.35 -0.00 0.00 0.71 0.00 0.00 54.79 55.79 2qee n ASP 242 Cb 0.13 0.33 -0.00 0.00 -0.02 0.00 0.00 41.12 41.56 2qee n ASP 242 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qee h LEU 244 N -0.00 0.05 -0.28 0.00 6.46 -0.99 -2.04 115.31 118.49 2qee h LEU 244 Ca 0.00 -0.16 -0.01 0.00 -0.12 0.00 0.00 57.88 57.59 2qee h LEU 244 Cb 0.00 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 39.91 2qee h LEU 244 CO 0.00 0.19 0.13 -0.07 -0.62 0.00 0.00 178.44 178.07 2qee h LEU 245 N -0.10 0.38 -0.55 2.25 3.38 -1.56 0.16 115.31 119.26 2qee h LEU 245 Ca 0.01 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 57.87 2qee h LEU 245 Cb 0.16 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 2qee h LEU 245 CO -0.00 0.40 0.34 -0.65 0.09 0.00 0.00 178.44 178.62 2qee h PRO 246 N 0.32 0.66 -0.45 1.13 0.11 -1.77 -0.45 132.00 131.55 2qee h PRO 246 Ca 0.10 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.12 2qee h PRO 246 Cb 0.13 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.07 2qee h PRO 246 CO -0.01 0.44 0.10 0.28 -0.21 0.00 0.00 178.00 178.60 2qee h VAL 247 N 0.68 1.24 -0.49 3.15 2.07 -1.09 -0.70 116.25 121.11 2qee h VAL 247 Ca 0.22 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.91 2qee h VAL 247 Cb -0.00 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 2qee h VAL 247 CO -0.08 0.29 0.32 0.00 0.02 0.00 0.00 177.57 178.12 2qee h ALA 248 N 0.97 0.63 -0.51 1.67 0.00 -0.55 -1.54 119.26 119.92 2qee h ALA 248 Ca 0.14 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2qee h ALA 248 Cb 0.33 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2qee h ALA 248 CO 0.00 0.08 0.25 1.49 0.00 0.00 0.00 179.25 181.07 2qee h GLU 249 N 0.67 0.73 -0.61 0.00 4.81 -0.91 -0.47 114.58 118.80 2qee h GLU 249 Ca 0.18 -0.10 -0.03 0.00 -0.13 0.00 0.00 59.36 59.28 2qee h GLU 249 Cb -0.06 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.16 2qee h GLU 249 CO -0.04 0.60 0.28 -0.22 -0.73 0.00 0.00 179.01 178.90 2qee h LYS 250 N 0.68 0.88 -0.37 1.92 3.64 -0.85 -2.51 116.57 119.97 2qee h LYS 250 Ca 0.18 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2qee h LYS 250 Cb 0.11 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 2qee h LYS 250 CO -0.02 0.72 0.00 0.72 -2.27 0.00 0.00 179.45 178.60 2qee n HIS 251 N -4.50 0.49 -4.18 1.91 8.25 -0.60 -4.96 115.22 111.63 2qee n HIS 251 Ca 0.04 -0.24 -0.29 0.00 -0.26 0.00 0.00 57.72 56.96 2qee n HIS 251 Cb 0.14 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.18 2qee n HIS 251 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2qee n ASN 252 N 0.57 0.12 -4.41 0.41 4.05 -0.48 -4.97 115.26 110.56 2qee n ASN 252 Ca 0.12 -1.15 -0.34 0.00 0.45 0.00 0.00 54.58 53.66 2qee n ASN 252 Cb 0.31 -2.24 -0.13 0.00 1.23 0.00 0.00 39.78 38.94 2qee n ASN 252 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 2qee s ILE 253 N -4.11 3.62 0.86 -1.44 -1.09 -0.31 -4.83 121.20 113.89 2qee s ILE 253 Ca 0.07 -0.43 -0.11 0.00 -2.23 0.00 0.00 60.65 57.95 2qee s ILE 253 Cb -0.04 -2.61 0.11 0.00 -1.58 0.00 0.00 42.46 38.34 2qee s ILE 253 CO 0.95 0.46 1.10 -2.84 -1.23 0.00 0.00 174.94 173.38 2qee s PRO 254 N 0.89 1.53 -0.23 2.79 0.02 -1.26 -4.62 135.00 134.11 2qee s PRO 254 Ca -0.01 1.09 -0.05 0.00 0.02 0.00 0.00 61.00 62.06 2qee s PRO 254 Cb -0.15 -1.82 -0.01 0.00 0.02 0.00 0.00 34.50 32.55 2qee s PRO 254 CO 0.01 -2.13 -0.02 0.12 -0.33 0.00 0.00 177.00 174.66 2qee s PHE 255 N -2.85 2.99 -0.24 6.54 5.36 0.13 -1.61 117.98 128.29 2qee s PHE 255 Ca 0.63 -0.87 -0.13 0.00 -0.96 0.00 0.00 56.93 55.60 2qee s PHE 255 Cb -0.19 -2.14 -0.05 0.00 -0.34 0.00 0.00 43.02 40.31 2qee s PHE 255 CO 0.57 -0.52 0.25 0.00 -1.46 0.00 0.00 175.22 174.06 2qee s ALA 256 N 1.50 3.58 -0.17 11.12 0.00 0.47 -0.95 121.76 137.30 2qee s ALA 256 Ca 0.06 -0.84 -0.01 0.00 0.00 0.00 0.00 51.96 51.17 2qee s ALA 256 Cb -0.15 -2.49 -0.00 0.00 0.00 0.00 0.00 23.12 20.48 2qee s ALA 256 CO -0.02 -0.37 -0.13 -1.64 0.00 0.00 0.00 175.76 173.61 2qee s MET 257 N 1.43 3.26 -0.38 0.00 -1.94 0.13 -1.34 119.30 120.46 2qee s MET 257 Ca 0.11 -0.71 -0.03 0.00 -1.71 0.00 0.00 55.69 53.35 2qee s MET 257 Cb -0.15 -2.72 0.09 0.00 2.01 0.00 0.00 34.83 34.07 2qee s MET 257 CO 0.07 -0.03 0.15 -1.64 -0.01 0.00 0.00 175.02 173.56 2qee s MET 258 N 0.96 2.12 -0.15 2.03 -1.94 -0.27 -2.16 119.30 119.88 2qee s MET 258 Ca -0.02 -1.66 -0.04 0.00 -1.71 0.00 0.00 55.69 52.26 2qee s MET 258 Cb -0.15 -3.47 -0.03 0.00 2.01 0.00 0.00 34.83 33.19 2qee s MET 258 CO -0.02 -0.94 -0.02 0.42 -0.01 0.00 0.00 175.02 174.45 2qee s ILE 259 N 1.18 4.05 0.00 2.53 1.01 -0.35 -0.33 121.20 129.28 2qee s ILE 259 Ca 0.05 -0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.39 2qee s ILE 259 Cb -0.22 -2.77 0.00 0.00 0.01 0.00 0.00 42.46 39.48 2qee s ILE 259 CO -0.03 0.50 0.00 0.61 0.00 0.00 0.00 174.94 176.02 2qee n GLY 260 N 3.37 -0.02 3.72 6.18 0.00 0.37 -0.92 105.19 117.89 2qee n GLY 260 Ca -0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.45 2qee n GLY 260 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qee s VAL 261 N -0.90 4.99 -0.41 1.61 0.11 -1.02 -1.43 120.40 123.35 2qee s VAL 261 Ca 0.00 1.45 -0.11 0.00 -2.93 0.00 0.00 61.98 60.39 2qee s VAL 261 Cb 0.00 -4.04 0.06 0.00 -1.53 0.00 0.00 36.38 30.87 2qee s VAL 261 CO 0.00 0.28 0.26 -0.75 -3.33 0.00 0.00 175.10 171.56 2qee s LYS 262 N 0.59 2.75 0.34 1.54 2.20 -0.28 -3.95 119.74 122.94 2qee s LYS 262 Ca 0.37 -1.29 -0.27 0.00 -0.36 0.00 0.00 55.97 54.43 2qee s LYS 262 Cb -0.18 -3.82 -0.09 0.00 -1.51 0.00 0.00 37.83 32.23 2qee s LYS 262 CO 0.19 -0.86 1.09 0.15 -0.36 0.00 0.00 175.35 175.55 2qee s LYS 263 N 1.51 4.38 -1.19 4.03 -0.14 -1.26 -0.04 119.74 127.03 2qee s LYS 263 Ca 0.03 1.69 -0.07 0.00 -1.36 0.00 0.00 55.97 56.26 2qee s LYS 263 Cb -0.22 -2.87 0.01 0.00 -1.68 0.00 0.00 37.83 33.07 2qee s LYS 263 CO 0.05 0.01 0.88 0.54 -0.76 0.00 0.00 175.35 176.07 2qee n ARG 264 N 0.56 -6.10 0.22 1.68 1.74 -1.22 -4.89 116.66 108.65 2qee n ARG 264 Ca 0.02 0.72 0.10 0.00 -0.77 0.00 0.00 57.85 57.92 2qee n ARG 264 Cb 0.47 -5.35 0.43 0.00 -1.02 0.00 0.00 32.46 26.99 2qee n ARG 264 CO 0.00 0.00 0.00 -0.39 -1.52 0.00 0.00 177.63 175.72 2qee h VAL 265 N -2.02 0.48 -2.83 1.55 -1.51 -1.09 -3.31 116.25 107.52 2qee h VAL 265 Ca -0.47 -1.14 -0.61 0.00 -1.23 0.00 0.00 66.70 63.25 2qee h VAL 265 Cb 1.31 1.81 -0.40 0.00 -2.13 0.00 0.00 31.29 31.87 2qee h VAL 265 CO 0.47 0.20 -0.74 -2.28 -1.23 0.00 0.00 177.57 174.00 2qee s HIS 266 N -3.57 2.43 0.46 5.19 5.65 -0.94 -5.01 115.29 119.49 2qee s HIS 266 Ca 0.01 -2.82 0.11 0.00 0.25 0.00 0.00 55.06 52.61 2qee s HIS 266 Cb 0.10 -1.96 1.04 0.00 -1.18 0.00 0.00 32.58 30.58 2qee s HIS 266 CO 0.64 -0.69 2.08 -1.35 -0.65 0.00 0.00 174.74 174.77 2qee h PRO 267 N 5.77 0.32 -0.12 2.88 0.11 -1.84 -0.33 132.00 138.78 2qee h PRO 267 Ca 0.15 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 66.28 2qee h PRO 267 Cb 0.84 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.88 2qee h PRO 267 CO 0.56 0.21 0.11 0.00 -0.21 0.00 0.00 178.00 178.66 2qee h ALA 268 N 1.83 1.87 0.00 -0.75 0.00 -1.95 -1.20 119.26 119.07 2qee h ALA 268 Ca 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2qee h ALA 268 Cb 0.04 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2qee h ALA 268 CO -0.02 -0.17 0.00 1.28 0.00 0.00 0.00 179.25 180.34 2qee n LEU 269 N -4.10 0.00 0.00 0.00 4.77 -0.13 -4.98 117.00 112.56 2qee n LEU 269 Ca -0.00 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 2qee n LEU 269 Cb 0.22 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 2qee n LEU 269 CO 0.30 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 2qee n GLY 270 N 0.92 3.60 0.32 -0.72 0.00 -0.45 -1.51 105.19 107.34 2qee n GLY 270 Ca 0.12 -0.09 0.17 0.00 0.00 0.00 0.00 46.02 46.23 2qee n GLY 270 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2qee h ASP 271 N 0.00 0.00 -0.19 1.61 5.19 -1.93 -0.65 116.42 120.45 2qee h ASP 271 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2qee h ASP 271 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 2qee h ASP 271 CO 0.00 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.12 2qee n ALA 272 N -2.26 2.54 -0.15 3.45 0.00 -0.57 -4.23 120.51 119.29 2qee n ALA 272 Ca -0.02 -0.37 0.06 0.00 0.00 0.00 0.00 53.44 53.11 2qee n ALA 272 Cb 0.14 -0.99 0.16 0.00 0.00 0.00 0.00 19.45 18.76 2qee n ALA 272 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qee n GLY 273 N 0.70 2.54 3.88 0.00 0.00 -0.25 -4.81 105.19 107.25 2qee n GLY 273 Ca 0.07 -0.42 -0.33 0.00 0.00 0.00 0.00 46.02 45.35 2qee n GLY 273 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qee s ASP 274 N -1.00 6.56 0.00 1.61 1.01 -1.26 -0.68 116.67 122.91 2qee s ASP 274 Ca 0.25 0.70 0.00 0.00 0.71 0.00 0.00 52.55 54.22 2qee s ASP 274 Cb 0.13 -2.14 0.00 0.00 1.01 0.00 0.00 42.92 41.92 2qee s ASP 274 CO 0.17 0.08 0.00 0.33 0.21 0.00 0.00 175.17 175.96 2qee n PHE 275 N 0.34 0.00 -3.98 4.23 7.35 0.94 -4.93 117.46 121.41 2qee n PHE 275 Ca -0.04 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.56 2qee n PHE 275 Cb 0.52 0.00 -0.11 0.00 0.35 0.00 0.00 39.48 40.24 2qee n PHE 275 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2qee s VAL 276 N -0.53 0.11 0.03 -2.13 0.11 -1.26 -1.13 120.40 115.60 2qee s VAL 276 Ca 0.00 -0.95 -0.14 0.00 -2.93 0.00 0.00 61.98 57.96 2qee s VAL 276 Cb 0.00 -0.35 0.02 0.00 -1.53 0.00 0.00 36.38 34.53 2qee s VAL 276 CO 0.00 -0.52 0.31 -0.83 -3.33 0.00 0.00 175.10 170.73 2qee s GLY 277 N -1.54 -0.13 0.23 6.54 0.00 -0.52 -4.82 107.32 107.07 2qee s GLY 277 Ca -0.15 0.10 -0.30 0.00 0.00 0.00 0.00 44.72 44.38 2qee s GLY 277 CO -0.01 -0.11 1.26 1.25 0.00 0.00 0.00 173.10 175.48 2qee s LYS 278 N -2.21 4.43 0.23 2.90 2.20 -1.26 -4.47 119.74 121.55 2qee s LYS 278 Ca -0.07 2.01 0.05 0.00 -0.36 0.00 0.00 55.97 57.60 2qee s LYS 278 Cb -0.02 -3.18 -0.03 0.00 -1.51 0.00 0.00 37.83 33.08 2qee s LYS 278 CO -0.01 -0.16 0.28 0.00 -0.36 0.00 0.00 175.35 175.10 2qee s ALA 279 N -0.26 3.79 0.49 3.13 0.00 -1.26 -4.78 121.76 122.86 2qee s ALA 279 Ca 0.53 -1.27 -0.22 0.00 0.00 0.00 0.00 51.96 51.01 2qee s ALA 279 Cb -0.36 -1.56 -0.07 0.00 0.00 0.00 0.00 23.12 21.13 2qee s ALA 279 CO 0.41 0.31 1.17 0.45 0.00 0.00 0.00 175.76 178.09 2qee s SER 280 N -3.76 5.98 0.00 0.00 0.15 -1.25 -4.94 113.70 109.87 2qee s SER 280 Ca 0.33 2.30 0.28 0.00 0.70 0.00 0.00 55.95 59.57 2qee s SER 280 Cb -0.09 -2.60 1.07 0.00 -1.71 0.00 0.00 66.02 62.70 2qee s SER 280 CO 0.27 -1.05 1.77 0.23 1.20 0.00 0.00 173.24 175.67 2qee n MET 281 N -0.75 0.52 -0.27 5.44 2.81 -1.26 -4.45 117.12 119.16 2qee n MET 281 Ca 0.09 -0.20 -0.04 0.00 -1.81 0.00 0.00 57.70 55.74 2qee n MET 281 Cb 0.49 -1.50 0.07 0.00 -0.71 0.00 0.00 33.22 31.57 2qee n MET 281 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 2qee h ASP 282 N 0.49 0.83 -0.36 7.83 3.32 -1.92 0.27 116.42 126.88 2qee h ASP 282 Ca 0.00 -0.02 -0.13 0.00 0.02 0.00 0.00 57.03 56.90 2qee h ASP 282 Cb 0.41 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 2qee h ASP 282 CO 0.00 0.60 -0.30 1.23 -1.72 0.00 0.00 179.24 179.05 2qee h GLY 283 N 0.98 0.91 0.92 2.75 0.00 -1.78 -0.14 103.07 106.72 2qee h GLY 283 Ca 0.28 -0.90 -0.03 0.00 0.00 0.00 0.00 47.33 46.68 2qee h GLY 283 CO -0.07 0.82 0.11 -2.08 0.00 0.00 0.00 176.54 175.31 2qee h VAL 284 N 0.64 1.21 -0.37 4.60 2.07 -1.74 -1.60 116.25 121.06 2qee h VAL 284 Ca 0.07 -0.69 0.05 0.00 0.82 0.00 0.00 66.70 66.95 2qee h VAL 284 Cb 0.88 1.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.60 2qee h VAL 284 CO 0.08 0.24 0.08 -0.08 0.02 0.00 0.00 177.57 177.91 2qee h GLU 285 N 0.41 0.20 -0.26 1.57 4.81 -0.87 -0.72 114.58 119.72 2qee h GLU 285 Ca 0.11 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.35 2qee h GLU 285 Cb 0.26 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 2qee h GLU 285 CO -0.00 0.13 0.12 1.25 -0.73 0.00 0.00 179.01 179.78 2qee h HIS 286 N 0.21 0.21 -0.36 0.92 2.76 -0.85 -1.03 115.15 117.01 2qee h HIS 286 Ca 0.18 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.36 2qee h HIS 286 Cb 0.20 -0.06 -0.02 0.00 1.55 0.00 0.00 27.41 29.09 2qee h HIS 286 CO -0.19 0.11 0.22 -0.07 -1.30 0.00 0.00 177.93 176.70 2qee h LEU 287 N 0.25 0.43 -0.36 0.26 3.38 -1.04 0.16 115.31 118.39 2qee h LEU 287 Ca 0.11 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2qee h LEU 287 Cb 0.05 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2qee h LEU 287 CO -0.09 0.36 0.19 -0.07 0.09 0.00 0.00 178.44 178.92 2qee h LEU 288 N 0.47 0.45 -0.11 1.67 3.38 -0.75 -1.62 115.31 118.79 2qee h LEU 288 Ca 0.13 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 2qee h LEU 288 Cb 0.01 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 2qee h LEU 288 CO -0.02 0.42 -0.06 -0.09 0.09 0.00 0.00 178.44 178.78 2qee h ARG 289 N 0.45 0.23 0.00 1.13 2.43 -0.95 -3.34 114.38 114.33 2qee h ARG 289 Ca 0.13 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2qee h ARG 289 Cb 0.08 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 2qee h ARG 289 CO -0.02 0.59 -0.44 0.93 -1.51 0.00 0.00 179.97 179.52 2qee h GLU 290 N -0.13 0.00 -2.26 0.20 4.39 -0.72 -3.35 114.58 112.70 2qee h GLU 290 Ca 0.02 0.00 -0.61 0.00 0.34 0.00 0.00 59.36 59.12 2qee h GLU 290 Cb 0.53 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 28.76 2qee h GLU 290 CO 0.02 0.00 -0.54 0.66 -1.16 0.00 0.00 179.01 177.99 2qee n TYR 291 N -2.48 3.83 0.29 4.33 4.01 -0.61 -4.93 117.16 121.60 2qee n TYR 291 Ca 0.03 -3.99 0.17 0.00 -0.16 0.00 0.00 57.90 53.95 2qee n TYR 291 Cb 0.48 -0.56 0.85 0.00 -0.31 0.00 0.00 39.34 39.81 2qee n TYR 291 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2qee h PRO 292 N 3.55 0.00 -0.64 -0.72 0.13 -1.71 -0.61 132.00 132.00 2qee h PRO 292 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2qee h PRO 292 Cb 0.56 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.69 2qee h PRO 292 CO 0.85 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.71 2qee n ASN 293 N -2.78 3.77 -4.82 1.44 5.03 -1.26 -4.87 115.26 111.77 2qee n ASN 293 Ca -0.01 -2.00 -0.32 0.00 0.87 0.00 0.00 54.58 53.12 2qee n ASN 293 Cb 0.14 -0.42 -0.06 0.00 -1.02 0.00 0.00 39.78 38.42 2qee n ASN 293 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 2qee s ASN 294 N -1.13 5.86 -0.05 6.41 -0.87 -0.24 -4.72 114.94 120.20 2qee s ASN 294 Ca 0.46 0.15 0.00 0.00 -1.57 0.00 0.00 52.86 51.90 2qee s ASN 294 Cb 0.25 -1.70 -0.03 0.00 -0.02 0.00 0.00 41.25 39.74 2qee s ASN 294 CO 0.33 0.22 -0.02 -0.54 -2.57 0.00 0.00 177.10 174.52 2qee s LYS 295 N -2.11 2.83 -0.05 -0.60 1.02 -1.26 -4.83 119.74 114.73 2qee s LYS 295 Ca 0.28 -0.53 0.02 0.00 0.02 0.00 0.00 55.97 55.76 2qee s LYS 295 Cb -0.12 -2.68 0.01 0.00 -0.52 0.00 0.00 37.83 34.52 2qee s LYS 295 CO 0.20 0.66 -0.10 -0.06 -0.92 0.00 0.00 175.35 175.13 2qee s PHE 296 N -0.94 1.20 -0.20 3.18 0.08 -0.17 -0.70 117.98 120.43 2qee s PHE 296 Ca 0.15 -0.39 -0.06 0.00 0.12 0.00 0.00 56.93 56.75 2qee s PHE 296 Cb -0.11 -0.89 -0.03 0.00 -0.57 0.00 0.00 43.02 41.41 2qee s PHE 296 CO 0.05 -0.21 0.03 -0.51 -0.10 0.00 0.00 175.22 174.48 2qee s LEU 297 N 0.57 3.51 -0.03 -0.37 1.43 -0.12 -0.99 118.68 122.68 2qee s LEU 297 Ca -0.11 -0.08 0.03 0.00 -1.03 0.00 0.00 54.13 52.94 2qee s LEU 297 Cb -0.14 -1.89 0.00 0.00 0.03 0.00 0.00 46.19 44.19 2qee s LEU 297 CO 0.02 0.10 -0.10 -0.69 0.23 0.00 0.00 176.35 175.92 2qee s VAL 298 N 0.78 0.86 0.03 -1.59 1.01 -0.47 0.18 120.40 121.19 2qee s VAL 298 Ca 0.02 -0.40 0.04 0.00 0.00 0.00 0.00 61.98 61.64 2qee s VAL 298 Cb -0.14 -0.76 -0.02 0.00 0.00 0.00 0.00 36.38 35.46 2qee s VAL 298 CO 0.02 0.27 -0.12 0.28 0.00 0.00 0.00 175.10 175.55 2qee s THR 299 N 0.19 0.96 0.15 3.92 -1.32 -0.92 -2.15 115.64 116.47 2qee s THR 299 Ca -0.03 -0.88 0.08 0.00 -1.21 0.00 0.00 61.69 59.65 2qee s THR 299 Cb -0.09 -0.87 -0.04 0.00 -1.51 0.00 0.00 72.50 69.99 2qee s THR 299 CO 0.01 -0.00 -0.18 -0.04 -2.21 0.00 0.00 174.62 172.19 2qee s MET 300 N -1.00 1.23 -0.04 7.08 -1.94 -1.26 -1.21 119.30 122.15 2qee s MET 300 Ca 0.01 -1.36 0.17 0.00 -1.71 0.00 0.00 55.69 52.79 2qee s MET 300 Cb -0.07 -1.30 -0.21 0.00 2.01 0.00 0.00 34.83 35.26 2qee s MET 300 CO 0.01 0.27 0.55 -0.11 -0.01 0.00 0.00 175.02 175.72 2qee n LEU 301 N 0.43 0.55 -4.76 -0.03 7.94 -0.10 -4.59 117.00 116.45 2qee n LEU 301 Ca -0.14 0.25 -0.40 0.00 -1.11 0.00 0.00 56.01 54.61 2qee n LEU 301 Cb 0.56 0.21 -0.06 0.00 0.53 0.00 0.00 43.42 44.67 2qee n LEU 301 CO 0.28 0.29 0.50 -0.55 -1.11 0.00 0.00 177.39 176.80 2qee s SER 302 N -5.66 7.36 0.40 1.96 0.15 -1.26 -4.52 113.70 112.13 2qee s SER 302 Ca -0.06 1.62 0.09 0.00 0.70 0.00 0.00 55.95 58.30 2qee s SER 302 Cb 0.08 -2.50 0.87 0.00 -1.71 0.00 0.00 66.02 62.76 2qee s SER 302 CO 0.83 0.13 1.98 -0.09 1.20 0.00 0.00 173.24 177.29 2qee h ARG 303 N 4.81 0.58 0.00 5.44 2.43 -1.95 -2.18 114.38 123.51 2qee h ARG 303 Ca -0.46 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 2qee h ARG 303 Cb 1.21 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 2qee h ARG 303 CO 0.68 0.38 0.00 0.39 -1.51 0.00 0.00 179.97 179.91 2qee n GLU 304 N -4.48 0.36 0.00 0.20 4.71 -1.26 -2.37 120.64 117.81 2qee n GLU 304 Ca 0.09 0.01 0.11 0.00 -0.01 0.00 0.00 57.16 57.36 2qee n GLU 304 Cb 0.26 -1.50 0.09 0.00 -1.01 0.00 0.00 31.44 29.28 2qee n GLU 304 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 2qee n ASN 305 N -1.32 0.69 -0.06 1.62 5.03 -0.82 -4.68 115.26 115.72 2qee n ASN 305 Ca 0.13 -0.52 -0.13 0.00 0.87 0.00 0.00 54.58 54.93 2qee n ASN 305 Cb 0.25 0.59 -0.06 0.00 -1.02 0.00 0.00 39.78 39.53 2qee n ASN 305 CO 0.00 0.00 0.00 1.56 -1.83 0.00 0.00 177.26 176.99 2qee h GLN 306 N 0.00 0.48 -0.27 3.52 1.08 -1.55 -1.21 115.11 117.16 2qee h GLN 306 Ca 0.00 -0.27 -0.02 0.00 -1.45 0.00 0.00 58.65 56.91 2qee h GLN 306 Cb 0.53 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.96 2qee h GLN 306 CO 0.00 0.85 0.08 1.25 -0.95 0.00 0.00 178.83 180.06 2qee h HIS 307 N 0.14 0.44 0.00 2.96 2.76 -1.83 -2.24 115.15 117.37 2qee h HIS 307 Ca 0.02 -0.05 -0.08 0.00 -2.20 0.00 0.00 60.37 58.07 2qee h HIS 307 Cb 0.78 -0.13 -0.01 0.00 1.55 0.00 0.00 27.41 29.61 2qee h HIS 307 CO 0.08 0.48 -0.39 1.05 -1.30 0.00 0.00 177.93 177.86 2qee h GLU 308 N 0.27 0.00 -0.35 5.26 4.11 -1.85 -1.21 114.58 120.81 2qee h GLU 308 Ca 0.09 0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.54 2qee h GLU 308 Cb 0.25 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 2qee h GLU 308 CO -0.00 0.39 0.17 1.25 0.07 0.00 0.00 179.01 180.89 2qee h LEU 309 N 0.00 0.24 -0.80 3.06 5.85 -0.97 0.65 115.31 123.34 2qee h LEU 309 Ca -0.00 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.74 2qee h LEU 309 Cb 0.72 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.68 2qee h LEU 309 CO 0.05 0.18 0.53 0.58 -0.34 0.00 0.00 178.44 179.44 2qee h VAL 310 N 0.35 1.21 -0.71 1.05 2.07 -0.71 -1.29 116.25 118.21 2qee h VAL 310 Ca 0.15 -0.38 -0.06 0.00 0.82 0.00 0.00 66.70 67.23 2qee h VAL 310 Cb 0.07 0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 29.84 2qee h VAL 310 CO -0.11 0.20 0.20 0.58 0.02 0.00 0.00 177.57 178.46 2qee h VAL 311 N 1.08 1.26 -0.86 2.57 2.07 -0.87 -2.04 116.25 119.46 2qee h VAL 311 Ca 0.29 -0.92 -0.02 0.00 0.82 0.00 0.00 66.70 66.87 2qee h VAL 311 Cb -0.12 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.10 2qee h VAL 311 CO -0.06 0.36 0.46 0.25 0.02 0.00 0.00 177.57 178.59 2qee h LEU 312 N 1.07 1.09 -1.17 2.57 5.85 -0.36 -1.02 115.31 123.33 2qee h LEU 312 Ca 0.23 -0.11 0.06 0.00 0.84 0.00 0.00 57.88 58.90 2qee h LEU 312 Cb 0.33 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 41.03 2qee h LEU 312 CO -0.00 0.89 0.57 0.00 -0.34 0.00 0.00 178.44 179.56 2qee h ALA 313 N 1.25 1.52 -0.07 1.25 0.00 -0.68 0.46 119.26 122.98 2qee h ALA 313 Ca 0.30 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.20 2qee h ALA 313 Cb 0.05 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 2qee h ALA 313 CO -0.05 0.36 0.06 0.00 0.00 0.00 0.00 179.25 179.63 2qee h ARG 314 N 1.02 0.00 0.11 0.00 3.08 -0.51 -3.08 114.38 115.00 2qee h ARG 314 Ca 0.37 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 60.13 2qee h ARG 314 Cb 0.16 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 2qee h ARG 314 CO -0.13 0.00 -1.45 0.87 -1.07 0.00 0.00 179.97 178.19 2qee h LYS 315 N 0.00 0.23 -3.95 0.04 1.79 -0.61 -3.46 116.57 110.62 2qee h LYS 315 Ca 0.03 -0.40 -0.56 0.00 -2.18 0.00 0.00 60.65 57.54 2qee h LYS 315 Cb 0.15 0.15 -0.39 0.00 -1.58 0.00 0.00 32.23 30.56 2qee h LYS 315 CO -0.00 1.11 -0.77 -0.06 -1.08 0.00 0.00 179.45 178.64 2qee s PHE 316 N -2.63 1.70 0.34 -1.35 0.08 -0.93 -5.01 117.98 110.19 2qee s PHE 316 Ca -0.07 -1.30 0.38 0.00 0.12 0.00 0.00 56.93 56.06 2qee s PHE 316 Cb 0.07 -1.30 1.88 0.00 -0.57 0.00 0.00 43.02 43.10 2qee s PHE 316 CO 0.86 -0.69 2.15 0.66 -0.10 0.00 0.00 175.22 178.09 2qee h SER 317 N 8.10 0.00 -0.08 1.36 4.64 -1.89 -1.43 113.55 124.25 2qee h SER 317 Ca -0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 2qee h SER 317 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 2qee h SER 317 CO 0.37 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 175.87 2qee n ASN 318 N -2.98 0.50 -4.59 4.97 6.94 -1.26 -4.75 115.26 114.09 2qee n ASN 318 Ca -0.01 -1.83 -0.35 0.00 -0.02 0.00 0.00 54.58 52.37 2qee n ASN 318 Cb 0.16 -0.05 -0.10 0.00 -2.36 0.00 0.00 39.78 37.43 2qee n ASN 318 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 2qee s LEU 319 N -1.20 3.75 -0.21 -4.53 2.96 -0.54 -1.00 118.68 117.91 2qee s LEU 319 Ca 0.14 0.01 -0.01 0.00 -0.22 0.00 0.00 54.13 54.06 2qee s LEU 319 Cb 0.07 -1.96 0.02 0.00 0.50 0.00 0.00 46.19 44.81 2qee s LEU 319 CO 0.11 0.12 -0.13 -0.32 -1.32 0.00 0.00 176.35 174.81 2qee s MET 320 N 0.72 3.01 0.11 1.98 -2.45 -0.16 -4.95 119.30 117.56 2qee s MET 320 Ca 0.04 -0.84 -0.08 0.00 -1.25 0.00 0.00 55.69 53.56 2qee s MET 320 Cb -0.13 -2.78 -0.06 0.00 1.25 0.00 0.00 34.83 33.11 2qee s MET 320 CO 0.02 -0.27 0.39 0.96 1.05 0.00 0.00 175.02 177.17 2qee s ILE 321 N 1.33 5.13 -0.06 10.11 -4.36 -1.26 -1.37 121.20 130.72 2qee s ILE 321 Ca 0.03 0.27 -0.04 0.00 -0.26 0.00 0.00 60.65 60.65 2qee s ILE 321 Cb -0.14 -3.63 0.02 0.00 1.25 0.00 0.00 42.46 39.96 2qee s ILE 321 CO -0.08 0.17 0.14 0.72 0.24 0.00 0.00 174.94 176.13 2qee s PHE 322 N -1.52 -0.16 0.15 1.37 -0.12 -0.91 -2.10 117.98 114.69 2qee s PHE 322 Ca 0.37 0.42 0.00 0.00 -0.05 0.00 0.00 56.93 57.66 2qee s PHE 322 Cb -0.13 0.02 0.00 0.00 -0.63 0.00 0.00 43.02 42.28 2qee s PHE 322 CO 0.21 -0.10 0.00 0.41 -0.05 0.00 0.00 175.22 175.68 2qee n GLY 323 N 3.36 -2.31 2.99 1.99 0.00 -0.21 -4.40 105.19 106.63 2qee n GLY 323 Ca -0.17 -1.37 -0.31 0.00 0.00 0.00 0.00 46.02 44.18 2qee n GLY 323 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qee s TRP 325 N 0.67 3.26 0.00 0.00 -0.00 -1.26 -3.67 118.94 117.94 2qee s TRP 325 Ca 0.12 1.13 0.00 0.00 -0.00 0.00 0.00 56.10 57.36 2qee s TRP 325 Cb -0.20 -3.26 0.00 0.00 -0.00 0.00 0.00 33.47 30.00 2qee s TRP 325 CO -0.07 -0.53 0.00 1.87 -0.00 0.00 0.00 176.95 178.22 2qee n TRP 326 N 6.29 0.00 0.27 5.86 -0.00 -1.26 -0.68 117.44 127.91 2qee n TRP 326 Ca 0.08 0.00 0.10 0.00 -0.00 0.00 0.00 57.50 57.68 2qee n TRP 326 Cb 0.47 0.00 0.49 0.00 -0.00 0.00 0.00 31.31 32.28 2qee n TRP 326 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 177.69 178.88 2qee n PHE 327 N 0.00 0.68 0.89 5.87 3.72 -1.26 -1.06 117.46 126.30 2qee n PHE 327 Ca 0.00 0.31 0.12 0.00 -0.05 0.00 0.00 57.45 57.83 2qee n PHE 327 Cb 0.00 -1.00 0.32 0.00 -0.94 0.00 0.00 39.48 37.87 2qee n PHE 327 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 2qee n MET 328 N -2.16 0.08 -1.70 -1.08 2.81 0.14 -4.59 117.12 110.61 2qee n MET 328 Ca 0.00 0.03 -0.32 0.00 -1.81 0.00 0.00 57.70 55.60 2qee n MET 328 Cb 0.12 -1.55 -0.04 0.00 -0.71 0.00 0.00 33.22 31.04 2qee n MET 328 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2qee n ASN 329 N -1.67 7.12 -4.06 7.83 5.15 -0.22 -3.60 115.26 125.81 2qee n ASN 329 Ca 0.05 -3.18 -0.20 0.00 -0.60 0.00 0.00 54.58 50.66 2qee n ASN 329 Cb 0.36 -1.29 -0.15 0.00 -0.53 0.00 0.00 39.78 38.18 2qee n ASN 329 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 2qee s ASN 330 N 0.36 1.27 0.29 1.20 0.01 -1.26 -4.94 114.94 111.87 2qee s ASN 330 Ca 0.57 -0.21 0.03 0.00 -0.71 0.00 0.00 52.86 52.54 2qee s ASN 330 Cb 0.30 -0.14 0.72 0.00 0.41 0.00 0.00 41.25 42.55 2qee s ASN 330 CO -0.17 0.12 1.66 -0.65 -1.51 0.00 0.00 177.10 176.56 2qee h PRO 331 N 5.82 0.27 -0.66 -0.60 0.11 -1.97 0.36 132.00 135.31 2qee h PRO 331 Ca -0.32 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.74 2qee h PRO 331 Cb 1.17 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 2qee h PRO 331 CO 0.49 0.18 0.29 1.49 -0.21 0.00 0.00 178.00 180.24 2qee h GLU 332 N 0.27 0.95 0.15 1.05 4.57 -1.97 -0.63 114.58 118.98 2qee h GLU 332 Ca 0.56 -0.14 -0.30 0.00 -1.18 0.00 0.00 59.36 58.29 2qee h GLU 332 Cb 1.11 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.53 2qee h GLU 332 CO -0.61 0.76 -1.52 0.82 -1.18 0.00 0.00 179.01 177.28 2qee h ILE 333 N 0.94 1.03 -0.78 2.32 1.08 -1.16 -2.80 117.51 118.13 2qee h ILE 333 Ca 0.23 -2.46 0.14 0.00 -0.39 0.00 0.00 64.86 62.38 2qee h ILE 333 Cb 0.14 2.77 -0.09 0.00 -3.07 0.00 0.00 36.82 36.57 2qee h ILE 333 CO -0.03 0.77 0.35 0.40 -0.69 0.00 0.00 178.15 178.96 2qee h ILE 334 N -0.12 0.69 0.23 -0.67 2.04 -0.32 -0.04 117.51 119.32 2qee h ILE 334 Ca -0.31 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.36 2qee h ILE 334 Cb 1.91 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 38.13 2qee h ILE 334 CO 0.12 0.09 -0.11 -1.13 0.00 0.00 0.00 178.15 177.12 2qee h ASN 335 N 0.51 -0.26 -0.91 1.72 -1.24 -1.14 -1.34 115.58 112.92 2qee h ASN 335 Ca 0.43 -0.21 0.01 0.00 0.71 0.00 0.00 56.30 57.24 2qee h ASN 335 Cb 0.63 0.07 -0.04 0.00 0.73 0.00 0.00 38.32 39.70 2qee h ASN 335 CO -0.38 0.08 0.59 1.05 -1.29 0.00 0.00 177.43 177.48 2qee h GLU 336 N -0.64 1.20 -0.36 6.67 4.11 -1.19 -2.04 114.58 122.33 2qee h GLU 336 Ca -0.03 -0.08 -0.03 0.00 0.07 0.00 0.00 59.36 59.29 2qee h GLU 336 Cb 0.45 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 2qee h GLU 336 CO 0.05 0.80 0.09 0.52 0.07 0.00 0.00 179.01 180.55 2qee h MET 337 N 1.23 0.58 -0.42 1.06 2.86 -0.95 -1.17 114.93 118.12 2qee h MET 337 Ca 0.33 -0.14 -0.11 0.00 -2.06 0.00 0.00 59.70 57.72 2qee h MET 337 Cb -0.13 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.44 2qee h MET 337 CO -0.07 0.61 -0.20 1.15 1.06 0.00 0.00 176.91 179.47 2qee h THR 338 N 0.44 1.27 -0.26 2.22 2.02 -1.07 0.49 112.91 118.01 2qee h THR 338 Ca 0.11 -1.31 -0.07 0.00 0.77 0.00 0.00 66.41 65.91 2qee h THR 338 Cb 0.29 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 2qee h THR 338 CO 0.00 0.44 -0.13 0.03 0.37 0.00 0.00 175.52 176.24 2qee h ARG 339 N 0.72 0.55 -0.45 6.66 3.08 -1.25 -0.34 114.38 123.36 2qee h ARG 339 Ca 0.10 -0.24 0.01 0.00 0.07 0.00 0.00 59.98 59.93 2qee h ARG 339 Cb 0.72 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.72 2qee h ARG 339 CO 0.06 0.80 0.28 0.52 -1.07 0.00 0.00 179.97 180.55 2qee h MET 340 N 0.28 0.54 -0.17 0.04 2.86 -0.98 -0.48 114.93 117.02 2qee h MET 340 Ca 0.06 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2qee h MET 340 Cb 0.64 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 2qee h MET 340 CO 0.04 0.36 0.09 0.00 1.06 0.00 0.00 176.91 178.46 2qee h ARG 341 N 0.56 0.24 -0.31 1.72 3.08 -0.84 -2.24 114.38 116.59 2qee h ARG 341 Ca 0.17 -0.03 -0.11 0.00 0.07 0.00 0.00 59.98 60.08 2qee h ARG 341 Cb -0.02 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 2qee h ARG 341 CO -0.06 0.25 -0.26 1.98 -1.07 0.00 0.00 179.97 180.80 2qee h MET 342 N 0.17 0.62 -0.87 0.04 4.05 -0.93 0.27 114.93 118.28 2qee h MET 342 Ca 0.06 -0.25 -0.01 0.00 -0.28 0.00 0.00 59.70 59.22 2qee h MET 342 Cb 0.08 -0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 30.81 2qee h MET 342 CO -0.01 0.82 0.49 0.93 0.23 0.00 0.00 176.91 179.37 2qee h GLU 343 N 0.54 1.21 0.00 0.39 5.08 -0.94 0.62 114.58 121.47 2qee h GLU 343 Ca 0.07 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2qee h GLU 343 Cb 0.73 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2qee h GLU 343 CO 0.06 0.88 -1.33 -1.33 -1.00 0.00 0.00 179.01 176.28 2qee n MET 344 N -4.34 0.30 0.00 2.33 2.81 -0.86 -4.55 117.12 112.82 2qee n MET 344 Ca 0.09 -0.07 0.00 0.00 -1.81 0.00 0.00 57.70 55.92 2qee n MET 344 Cb 0.09 -1.53 0.00 0.00 -0.71 0.00 0.00 33.22 31.07 2qee n MET 344 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 2qee n LEU 345 N -1.88 0.60 0.00 4.03 4.77 0.94 -4.86 117.00 120.60 2qee n LEU 345 Ca 0.01 -0.62 0.00 0.00 -0.03 0.00 0.00 56.01 55.37 2qee n LEU 345 Cb 0.44 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 2qee n LEU 345 CO 0.43 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 2qee n GLY 346 N 0.03 4.00 1.13 -0.72 0.00 0.20 -1.61 105.19 108.23 2qee n GLY 346 Ca 0.00 0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.13 2qee n GLY 346 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qee n THR 347 N 0.00 1.47 -1.23 2.61 -2.24 -1.26 -4.35 114.28 109.29 2qee n THR 347 Ca 0.00 -1.20 -0.20 0.00 -2.27 0.00 0.00 64.05 60.39 2qee n THR 347 Cb 0.00 0.26 -0.09 0.00 -2.10 0.00 0.00 70.33 68.41 2qee n THR 347 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2qee n SER 348 N 0.78 5.98 -3.94 3.42 3.41 -0.64 -4.71 113.62 117.92 2qee n SER 348 Ca 0.20 -2.90 -0.09 0.00 -0.26 0.00 0.00 58.87 55.82 2qee n SER 348 Cb 0.69 -1.28 -0.05 0.00 -0.26 0.00 0.00 64.21 63.31 2qee n SER 348 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 2qee s PHE 349 N -0.67 0.24 -0.41 7.33 -0.12 -1.26 -4.81 117.98 118.28 2qee s PHE 349 Ca 0.57 -0.60 -0.08 0.00 -0.05 0.00 0.00 56.93 56.77 2qee s PHE 349 Cb 0.33 0.23 0.08 0.00 -0.63 0.00 0.00 43.02 43.03 2qee s PHE 349 CO -0.12 -0.96 0.24 0.42 -0.05 0.00 0.00 175.22 174.75 2qee s ILE 350 N -3.98 4.02 0.37 -4.49 1.01 -0.89 -4.70 121.20 112.54 2qee s ILE 350 Ca 0.18 -1.49 0.08 0.00 0.00 0.00 0.00 60.65 59.42 2qee s ILE 350 Cb -0.01 -3.49 0.16 0.00 0.01 0.00 0.00 42.46 39.14 2qee s ILE 350 CO 0.05 -0.51 1.91 1.55 0.00 0.00 0.00 174.94 177.94 2qee h PRO 351 N 8.33 0.32 -3.40 2.79 0.13 -1.86 -0.53 132.00 137.79 2qee h PRO 351 Ca -0.21 -0.07 -0.09 0.00 -0.87 0.00 0.00 66.00 64.76 2qee h PRO 351 Cb 1.08 -0.05 -0.16 0.00 0.13 0.00 0.00 31.00 32.00 2qee h PRO 351 CO 0.74 0.42 -0.24 -1.14 -0.23 0.00 0.00 178.00 177.55 2qee s GLN 352 N -4.81 0.86 0.09 0.86 2.00 -1.26 -3.25 119.66 114.15 2qee s GLN 352 Ca -0.06 -0.61 -0.03 0.00 -2.00 0.00 0.00 55.36 52.65 2qee s GLN 352 Cb 0.15 0.37 -0.03 0.00 0.80 0.00 0.00 33.01 34.30 2qee s GLN 352 CO 0.74 -0.29 0.07 -3.38 -0.50 0.00 0.00 175.29 171.94 2qee s HIS 353 N -2.96 0.52 -0.09 1.67 -3.43 -1.26 -4.60 115.29 105.13 2qee s HIS 353 Ca -0.02 -0.98 0.11 0.00 -0.80 0.00 0.00 55.06 53.37 2qee s HIS 353 Cb 0.01 -0.31 -0.24 0.00 -1.43 0.00 0.00 32.58 30.61 2qee s HIS 353 CO -0.06 -0.48 0.49 -1.13 -2.00 0.00 0.00 174.74 171.56 2qee n SER 354 N -0.01 0.88 -2.48 7.38 3.41 -1.25 -4.70 113.62 116.85 2qee n SER 354 Ca -0.11 0.30 -0.16 0.00 -0.26 0.00 0.00 58.87 58.63 2qee n SER 354 Cb 0.62 0.04 -0.01 0.00 -0.26 0.00 0.00 64.21 64.60 2qee n SER 354 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2qee n ASP 355 N -3.04 -4.71 -4.72 4.04 -0.08 -0.32 -4.87 116.55 102.85 2qee n ASP 355 Ca -0.22 0.08 -0.42 0.00 -1.51 0.00 0.00 54.79 52.72 2qee n ASP 355 Cb 1.07 -3.95 -0.03 0.00 2.34 0.00 0.00 41.12 40.55 2qee n ASP 355 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2qee s ALA 356 N -2.80 3.91 -0.09 -1.67 0.00 -1.26 -4.41 121.76 115.44 2qee s ALA 356 Ca 0.02 1.55 0.21 0.00 0.00 0.00 0.00 51.96 53.74 2qee s ALA 356 Cb -0.01 -3.69 -0.26 0.00 0.00 0.00 0.00 23.12 19.16 2qee s ALA 356 CO 0.03 -0.92 0.53 0.54 0.00 0.00 0.00 175.76 175.94 2qee n ARG 357 N 4.10 0.65 -5.05 0.00 1.74 -1.26 0.05 116.66 116.90 2qee n ARG 357 Ca 0.16 -0.10 -0.29 0.00 -0.77 0.00 0.00 57.85 56.85 2qee n ARG 357 Cb 0.36 -1.59 -0.16 0.00 -1.02 0.00 0.00 32.46 30.05 2qee n ARG 357 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2qee s VAL 358 N -3.32 1.75 0.21 1.55 1.01 -1.26 -4.31 120.40 116.03 2qee s VAL 358 Ca -0.07 -0.89 -0.10 0.00 0.00 0.00 0.00 61.98 60.92 2qee s VAL 358 Cb 0.12 -1.49 0.16 0.00 0.00 0.00 0.00 36.38 35.17 2qee s VAL 358 CO 0.87 0.49 1.70 0.25 0.00 0.00 0.00 175.10 178.42 2qee h LEU 359 N 6.20 -0.03 -1.26 3.92 5.85 -1.30 -0.97 115.31 127.72 2qee h LEU 359 Ca -0.31 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.52 2qee h LEU 359 Cb 1.18 0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.37 2qee h LEU 359 CO 0.47 -0.00 0.00 -0.33 -0.34 0.00 0.00 178.44 178.24 2qee h GLU 360 N 0.24 0.00 -0.02 1.25 3.07 -1.94 -2.61 114.58 114.58 2qee h GLU 360 Ca 0.31 0.00 0.01 0.00 -0.50 0.00 0.00 59.36 59.18 2qee h GLU 360 Cb 0.47 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.38 2qee h GLU 360 CO -0.41 0.00 0.04 1.96 -1.40 0.00 0.00 179.01 179.20 2qee h GLN 361 N 0.00 0.00 -0.58 2.33 4.20 -1.58 -0.64 115.11 118.84 2qee h GLN 361 Ca 0.00 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.78 2qee h GLN 361 Cb 0.39 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.14 2qee h GLN 361 CO 0.00 0.00 0.39 -0.07 -0.67 0.00 0.00 178.83 178.48 2qee h LEU 362 N 0.00 0.47 0.77 1.46 3.38 -1.63 0.12 115.31 119.88 2qee h LEU 362 Ca 0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 2qee h LEU 362 Cb 0.09 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 40.75 2qee h LEU 362 CO -0.00 0.30 -0.37 0.40 0.09 0.00 0.00 178.44 178.86 2qee h ILE 363 N 0.53 0.16 -0.29 1.22 2.04 -1.35 -2.76 117.51 117.05 2qee h ILE 363 Ca 0.26 -0.14 -0.18 0.00 1.00 0.00 0.00 64.86 65.79 2qee h ILE 363 Cb 0.33 0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 36.59 2qee h ILE 363 CO -0.07 0.01 -0.52 0.10 0.00 0.00 0.00 178.15 177.67 2qee h TYR 364 N -1.15 1.06 -0.74 1.37 -0.00 -1.57 -0.81 116.97 115.13 2qee h TYR 364 Ca -0.11 -0.37 0.03 0.00 0.00 0.00 0.00 58.73 58.29 2qee h TYR 364 Cb 0.81 -0.20 -0.05 0.00 0.00 0.00 0.00 36.73 37.29 2qee h TYR 364 CO -0.01 1.19 0.46 0.87 -0.00 0.00 0.00 178.16 180.67 2qee h LYS 365 N 0.66 0.87 0.12 0.10 1.79 -0.84 0.06 116.57 119.33 2qee h LYS 365 Ca 0.02 -0.05 -0.24 0.00 -2.18 0.00 0.00 60.65 58.20 2qee h LYS 365 Cb 1.12 -0.20 0.03 0.00 -1.58 0.00 0.00 32.23 31.60 2qee h LYS 365 CO 0.12 0.58 -1.02 -1.49 -1.08 0.00 0.00 179.45 176.55 2qee h TRP 366 N 0.90 0.80 -0.22 -1.35 4.06 -1.50 -2.45 115.95 116.18 2qee h TRP 366 Ca 0.30 -0.52 0.01 0.00 2.06 0.00 0.00 58.89 60.74 2qee h TRP 366 Cb 0.03 -0.06 -0.02 0.00 -1.00 0.00 0.00 29.16 28.12 2qee h TRP 366 CO -0.04 1.38 0.11 1.25 -3.56 0.00 0.00 178.44 177.58 2qee h HIS 367 N -0.01 0.20 -0.40 0.49 2.76 -1.02 0.57 115.15 117.75 2qee h HIS 367 Ca -0.16 0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 57.91 2qee h HIS 367 Cb 1.75 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 30.64 2qee h HIS 367 CO 0.15 0.12 -0.15 0.45 -1.30 0.00 0.00 177.93 177.19 2qee h HIS 368 N 0.23 0.92 -0.25 5.26 3.86 -1.07 -2.60 115.15 121.51 2qee h HIS 368 Ca 0.09 -0.22 -0.19 0.00 -1.16 0.00 0.00 60.37 58.89 2qee h HIS 368 Cb 0.02 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.27 2qee h HIS 368 CO -0.09 0.96 -0.59 0.77 0.86 0.00 0.00 177.93 179.83 2qee h SER 369 N 0.62 0.91 -0.87 2.45 0.02 -1.40 -3.24 113.55 112.04 2qee h SER 369 Ca 0.09 -0.51 -0.00 0.00 -0.84 0.00 0.00 61.79 60.53 2qee h SER 369 Cb 0.70 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.93 2qee h SER 369 CO 0.05 1.30 0.52 0.11 -1.14 0.00 0.00 176.83 177.67 2qee h LYS 370 N 0.60 1.18 -0.81 3.45 1.57 -0.77 -0.78 116.57 121.02 2qee h LYS 370 Ca 0.00 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 2qee h LYS 370 Cb 1.20 -0.25 -0.04 0.00 0.08 0.00 0.00 32.23 33.22 2qee h LYS 370 CO 0.13 0.83 0.48 0.66 -0.57 0.00 0.00 179.45 180.97 2qee h SER 371 N 1.19 0.98 -0.08 0.86 4.64 -1.51 0.58 113.55 120.21 2qee h SER 371 Ca 0.31 -0.06 -0.02 0.00 -0.47 0.00 0.00 61.79 61.55 2qee h SER 371 Cb -0.05 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 61.79 2qee h SER 371 CO -0.06 0.76 -0.04 0.40 -0.87 0.00 0.00 176.83 177.02 2qee h ILE 372 N 1.12 1.32 -0.86 0.95 2.04 -1.50 -2.43 117.51 118.15 2qee h ILE 372 Ca 0.29 -1.05 -0.03 0.00 1.00 0.00 0.00 64.86 65.07 2qee h ILE 372 Cb -0.03 1.87 -0.04 0.00 -0.74 0.00 0.00 36.82 37.88 2qee h ILE 372 CO -0.05 0.29 0.44 0.40 0.00 0.00 0.00 178.15 179.23 2qee h ILE 373 N -0.21 1.26 -0.59 -0.67 2.04 -0.94 -1.59 117.51 116.80 2qee h ILE 373 Ca 0.02 -0.69 0.06 0.00 1.00 0.00 0.00 64.86 65.25 2qee h ILE 373 Cb 0.48 0.12 -0.05 0.00 -0.74 0.00 0.00 36.82 36.63 2qee h ILE 373 CO 0.01 0.30 0.30 0.00 0.00 0.00 0.00 178.15 178.76 2qee h ALA 374 N 1.26 0.78 -0.72 1.87 0.00 -0.85 -0.47 119.26 121.13 2qee h ALA 374 Ca 0.30 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.19 2qee h ALA 374 Cb 0.08 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2qee h ALA 374 CO -0.04 -0.06 0.22 1.49 0.00 0.00 0.00 179.25 180.86 2qee h GLU 375 N 0.55 1.11 -0.16 0.00 4.57 -0.86 0.41 114.58 120.20 2qee h GLU 375 Ca 0.27 -0.23 -0.01 0.00 -1.18 0.00 0.00 59.36 58.21 2qee h GLU 375 Cb 0.21 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 2qee h GLU 375 CO -0.20 0.95 0.08 0.28 -1.18 0.00 0.00 179.01 178.93 2qee h VAL 376 N 1.07 1.13 -0.75 0.32 2.07 -0.99 -1.93 116.25 117.16 2qee h VAL 376 Ca 0.23 -0.37 0.04 0.00 0.82 0.00 0.00 66.70 67.43 2qee h VAL 376 Cb 0.30 1.08 -0.05 0.00 -1.52 0.00 0.00 31.29 31.10 2qee h VAL 376 CO -0.01 0.12 0.46 -0.07 0.02 0.00 0.00 177.57 178.09 2qee h LEU 377 N 0.13 0.75 -0.42 2.57 3.38 -0.61 -1.61 115.31 119.50 2qee h LEU 377 Ca 0.05 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 2qee h LEU 377 Cb 0.12 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2qee h LEU 377 CO -0.01 0.51 0.25 0.40 0.09 0.00 0.00 178.44 179.68 2qee h ILE 378 N 0.89 1.13 -0.46 1.22 2.04 -0.76 0.15 117.51 121.73 2qee h ILE 378 Ca 0.31 -0.29 0.02 0.00 1.00 0.00 0.00 64.86 65.90 2qee h ILE 378 Cb 0.07 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 36.69 2qee h ILE 378 CO -0.13 0.13 0.27 0.44 0.00 0.00 0.00 178.15 178.86 2qee h ASP 379 N 0.55 0.45 -0.39 1.72 3.32 -0.96 0.32 116.42 121.43 2qee h ASP 379 Ca 0.15 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.07 2qee h ASP 379 Cb -0.01 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 2qee h ASP 379 CO -0.03 0.32 -0.27 0.11 -1.72 0.00 0.00 179.24 177.65 2qee h LYS 380 N 0.55 0.87 -0.47 3.56 6.56 -0.88 -1.24 116.57 125.52 2qee h LYS 380 Ca 0.18 -0.42 -0.08 0.00 -1.06 0.00 0.00 60.65 59.28 2qee h LYS 380 Cb 0.00 -0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 31.64 2qee h LYS 380 CO -0.08 1.06 -0.03 1.88 -2.06 0.00 0.00 179.45 180.23 2qee h TYR 381 N 0.68 0.86 -0.49 -1.35 0.05 -0.63 -2.89 116.97 113.20 2qee h TYR 381 Ca 0.08 -0.13 -0.07 0.00 0.05 0.00 0.00 58.73 58.66 2qee h TYR 381 Cb 0.85 -0.23 -0.02 0.00 1.01 0.00 0.00 36.73 38.34 2qee h TYR 381 CO 0.06 0.80 0.04 0.22 -1.05 0.00 0.00 178.16 178.24 2qee h ASP 382 N 0.74 0.80 -0.88 3.88 3.58 -0.70 0.16 116.42 124.00 2qee h ASP 382 Ca 0.14 -0.28 0.10 0.00 0.42 0.00 0.00 57.03 57.41 2qee h ASP 382 Cb 0.49 -0.21 -0.08 0.00 1.72 0.00 0.00 39.33 41.25 2qee h ASP 382 CO 0.02 0.89 0.52 0.44 -2.88 0.00 0.00 179.24 178.23 2qee h ASP 383 N 0.69 0.75 0.75 2.28 3.32 -1.06 0.18 116.42 123.34 2qee h ASP 383 Ca 0.14 0.05 -0.24 0.00 0.02 0.00 0.00 57.03 57.00 2qee h ASP 383 Cb 0.45 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 2qee h ASP 383 CO 0.02 0.42 -1.10 0.16 -1.72 0.00 0.00 179.24 177.01 2qee h ILE 384 N 0.86 1.58 -0.48 0.35 3.07 -1.26 -2.91 117.51 118.72 2qee h ILE 384 Ca 0.43 -3.13 0.04 0.00 1.55 0.00 0.00 64.86 63.76 2qee h ILE 384 Cb 0.40 2.84 -0.04 0.00 -0.27 0.00 0.00 36.82 39.75 2qee h ILE 384 CO -0.25 0.91 0.23 0.25 -1.05 0.00 0.00 178.15 178.23 2qee h LEU 385 N 0.05 0.32 -1.53 0.16 5.85 -0.17 -0.49 115.31 119.50 2qee h LEU 385 Ca -0.08 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 2qee h LEU 385 Cb 1.83 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.83 2qee h LEU 385 CO 0.17 0.23 -0.18 1.56 -0.34 0.00 0.00 178.44 179.87 2qee h GLN 386 N 0.45 0.00 0.00 1.25 1.08 -0.69 -1.04 115.11 116.17 2qee h GLN 386 Ca 0.21 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.41 2qee h GLN 386 Cb 0.14 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.57 2qee h GLN 386 CO -0.16 0.18 0.00 0.00 -0.95 0.00 0.00 178.83 177.90 2qee n ALA 387 N -2.26 2.20 0.00 3.87 0.00 -0.90 -4.91 120.51 118.51 2qee n ALA 387 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2qee n ALA 387 Cb 0.33 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.38 2qee n ALA 387 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qee n GLY 388 N 0.98 0.96 3.73 0.00 0.00 -0.39 -5.08 105.19 105.38 2qee n GLY 388 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 2qee n GLY 388 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2qee s TRP 389 N -2.00 3.42 -0.48 1.61 -0.11 -0.24 -4.98 118.94 116.17 2qee s TRP 389 Ca 0.00 1.35 -0.23 0.00 1.22 0.00 0.00 56.10 58.45 2qee s TRP 389 Cb 0.00 -3.44 0.03 0.00 -1.50 0.00 0.00 33.47 28.56 2qee s TRP 389 CO 0.00 -1.30 0.78 -1.21 -4.62 0.00 0.00 176.95 170.61 2qee s GLU 390 N 0.26 3.34 -0.09 5.86 2.02 -1.26 -4.06 118.70 124.78 2qee s GLU 390 Ca 0.55 -0.25 -0.19 0.00 0.02 0.00 0.00 54.97 55.10 2qee s GLU 390 Cb -0.32 -3.98 -0.04 0.00 0.10 0.00 0.00 34.13 29.89 2qee s GLU 390 CO 0.34 -1.19 0.51 0.54 0.02 0.00 0.00 175.26 175.47 2qee s VAL 391 N 3.30 5.13 0.16 2.63 0.11 -1.26 -5.08 120.40 125.39 2qee s VAL 391 Ca 0.27 1.03 0.02 0.00 -2.93 0.00 0.00 61.98 60.37 2qee s VAL 391 Cb -0.13 -3.85 -0.04 0.00 -1.53 0.00 0.00 36.38 30.84 2qee s VAL 391 CO 0.20 0.34 0.31 0.42 -3.33 0.00 0.00 175.10 173.05 2qee s THR 392 N 0.45 5.29 0.33 5.04 -4.23 -1.26 -4.43 115.64 116.83 2qee s THR 392 Ca 0.28 -0.60 0.04 0.00 -1.18 0.00 0.00 61.69 60.22 2qee s THR 392 Cb -0.16 -3.74 0.29 0.00 1.34 0.00 0.00 72.50 70.23 2qee s THR 392 CO 0.12 -0.11 1.91 -0.08 -0.54 0.00 0.00 174.62 175.92 2qee h GLU 393 N 2.11 0.86 -0.50 3.99 4.81 -1.98 -1.04 114.58 122.83 2qee h GLU 393 Ca -0.48 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 58.63 2qee h GLU 393 Cb 1.19 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 30.36 2qee h GLU 393 CO 0.68 0.57 0.03 0.93 -0.73 0.00 0.00 179.01 180.50 2qee h GLU 394 N 0.89 0.81 -0.32 1.92 4.39 -1.99 0.39 114.58 120.68 2qee h GLU 394 Ca 0.38 -0.21 -0.07 0.00 0.34 0.00 0.00 59.36 59.81 2qee h GLU 394 Cb 0.32 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 2qee h GLU 394 CO -0.15 0.80 -0.08 0.93 -1.16 0.00 0.00 179.01 179.35 2qee h GLU 395 N 0.77 0.61 -0.24 2.33 5.08 -1.74 -0.93 114.58 120.46 2qee h GLU 395 Ca 0.15 -0.23 0.05 0.00 -1.00 0.00 0.00 59.36 58.32 2qee h GLU 395 Cb 0.41 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.59 2qee h GLU 395 CO 0.01 0.79 -0.04 0.82 -1.00 0.00 0.00 179.01 179.60 2qee h ILE 396 N 0.39 0.78 -0.97 3.13 2.04 -0.94 -0.86 117.51 121.08 2qee h ILE 396 Ca 0.08 -0.01 0.03 0.00 1.00 0.00 0.00 64.86 65.96 2qee h ILE 396 Cb 0.57 0.76 -0.05 0.00 -0.74 0.00 0.00 36.82 37.35 2qee h ILE 396 CO 0.03 0.00 0.64 0.11 0.00 0.00 0.00 178.15 178.93 2qee h LYS 397 N 0.02 1.21 0.07 2.37 1.57 -0.75 -0.38 116.57 120.69 2qee h LYS 397 Ca 0.11 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2qee h LYS 397 Cb 0.17 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 32.20 2qee h LYS 397 CO -0.23 0.80 -0.04 -0.09 -0.57 0.00 0.00 179.45 179.33 2qee h ARG 398 N 1.24 -0.10 -0.73 3.15 2.43 -0.89 -1.02 114.38 118.48 2qee h ARG 398 Ca 0.38 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.52 2qee h ARG 398 Cb -0.03 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.51 2qee h ARG 398 CO -0.11 0.13 0.32 -0.44 -1.51 0.00 0.00 179.97 178.36 2qee h ASP 399 N -0.31 0.97 -0.53 -3.80 3.32 -0.68 -0.51 116.42 114.88 2qee h ASP 399 Ca -0.01 -0.15 -0.03 0.00 0.02 0.00 0.00 57.03 56.86 2qee h ASP 399 Cb 0.27 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 2qee h ASP 399 CO 0.02 0.86 0.23 0.58 -1.72 0.00 0.00 179.24 179.20 2qee h VAL 400 N 1.03 1.21 -0.84 -1.35 2.07 -1.06 -1.05 116.25 116.26 2qee h VAL 400 Ca 0.25 -0.64 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 2qee h VAL 400 Cb 0.16 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 2qee h VAL 400 CO -0.03 0.25 0.50 0.00 0.02 0.00 0.00 177.57 178.31 2qee h ALA 401 N 1.07 1.07 -0.22 1.67 0.00 -0.70 -1.45 119.26 120.70 2qee h ALA 401 Ca 0.18 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.02 2qee h ALA 401 Cb 0.17 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2qee h ALA 401 CO -0.02 0.53 0.07 -0.44 0.00 0.00 0.00 179.25 179.39 2qee h ASP 402 N 1.15 0.07 -0.40 0.00 3.32 -0.77 0.61 116.42 120.40 2qee h ASP 402 Ca 0.30 0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.31 2qee h ASP 402 Cb -0.04 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 2qee h ASP 402 CO -0.06 0.07 -0.00 -0.07 -1.72 0.00 0.00 179.24 177.46 2qee h LEU 403 N 0.17 0.69 -0.07 1.55 3.38 -0.86 -1.28 115.31 118.89 2qee h LEU 403 Ca 0.10 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2qee h LEU 403 Cb 0.07 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.63 2qee h LEU 403 CO -0.10 0.83 -0.48 0.49 0.09 0.00 0.00 178.44 179.26 2qee n PHE 404 N -4.44 0.00 0.20 1.13 3.72 -0.58 -4.17 117.46 113.32 2qee n PHE 404 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 2qee n PHE 404 Cb 0.29 -0.22 0.00 0.00 -0.94 0.00 0.00 39.48 38.61 2qee n PHE 404 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2qee n SER 405 N -1.38 -3.02 -0.03 4.37 2.88 -0.48 -1.36 113.62 114.60 2qee n SER 405 Ca 0.06 0.74 -0.04 0.00 -1.33 0.00 0.00 58.87 58.30 2qee n SER 405 Cb 0.34 2.89 0.17 0.00 -0.75 0.00 0.00 64.21 66.86 2qee n SER 405 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2qee h ARG 406 N 0.00 0.61 -0.76 -1.46 3.08 -0.92 -2.65 114.38 112.28 2qee h ARG 406 Ca 0.00 -0.21 -0.02 0.00 0.07 0.00 0.00 59.98 59.82 2qee h ARG 406 Cb 0.00 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 29.97 2qee h ARG 406 CO 0.00 0.76 0.40 -0.91 -1.07 0.00 0.00 179.97 179.15 2qee h ASN 407 N 0.55 0.95 0.25 7.04 2.35 -1.45 0.24 115.58 125.50 2qee h ASN 407 Ca 0.09 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 2qee h ASN 407 Cb 0.63 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.76 2qee h ASN 407 CO 0.04 0.78 -0.12 0.15 -1.65 0.00 0.00 177.43 176.64 2qee h PHE 408 N 1.07 -0.31 -0.46 1.19 3.57 -1.71 -1.67 116.94 118.62 2qee h PHE 408 Ca 0.27 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.73 2qee h PHE 408 Cb 0.05 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 2qee h PHE 408 CO 0.01 -0.04 0.14 -1.49 -2.23 0.00 0.00 178.31 174.70 2qee h TRP 409 N -0.56 0.68 -0.47 0.41 4.06 -1.38 -0.98 115.95 117.71 2qee h TRP 409 Ca -0.03 -0.04 -0.06 0.00 2.06 0.00 0.00 58.89 60.81 2qee h TRP 409 Cb 0.41 -0.21 -0.02 0.00 -1.00 0.00 0.00 29.16 28.35 2qee h TRP 409 CO 0.00 0.56 0.05 -0.09 -3.56 0.00 0.00 178.44 175.40 2qee h ARG 410 N 0.66 0.79 -0.34 0.49 2.43 -0.94 -0.53 114.38 116.94 2qee h ARG 410 Ca 0.15 -0.23 -0.11 0.00 -0.81 0.00 0.00 59.98 58.99 2qee h ARG 410 Cb 0.20 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 2qee h ARG 410 CO -0.01 0.82 -0.20 0.35 -1.51 0.00 0.00 179.97 179.42 2qee h PHE 411 N 0.65 0.85 -0.00 2.20 3.57 -0.59 -2.92 116.94 120.70 2qee h PHE 411 Ca 0.14 -0.22 0.00 0.00 3.53 0.00 0.00 57.97 61.42 2qee h PHE 411 Cb 0.43 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.98 2qee h PHE 411 CO 0.03 0.95 -0.02 1.33 -2.23 0.00 0.00 178.31 178.37 2qee n VAL 412 N -4.30 0.00 -3.05 1.41 0.24 -0.44 -4.88 118.33 107.31 2qee n VAL 412 Ca -0.03 -0.02 -0.13 0.00 -2.04 0.00 0.00 64.34 62.13 2qee n VAL 412 Cb 0.42 -0.41 0.06 0.00 -1.47 0.00 0.00 33.84 32.44 2qee n VAL 412 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2qee n GLY 413 N 1.20 -0.13 0.00 7.63 0.00 -0.53 -4.83 105.19 108.53 2qee n GLY 413 Ca 0.17 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2qee n GLY 413 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qee n ARG 414 N -3.28 0.00 0.00 1.61 1.74 -0.32 -5.04 116.66 111.37 2qee n ARG 414 Ca -0.18 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.90 2qee n ARG 414 Cb 0.61 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.05 2qee n ARG 414 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40