#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qee n LEU 1 N 0.00 2.85 -4.07 2.46 7.94 -1.26 -4.95 117.00 119.97 2qee n LEU 1 Ca 0.00 1.04 -0.10 0.00 -1.11 0.00 0.00 56.01 55.84 2qee n LEU 1 Cb 0.00 -1.30 -0.08 0.00 0.53 0.00 0.00 43.42 42.57 2qee n LEU 1 CO 0.00 -0.34 -0.12 -0.55 -1.11 0.00 0.00 177.39 175.27 2qee s SER 2 N 2.80 0.12 -0.18 1.96 0.15 -1.26 -4.73 113.70 112.56 2qee s SER 2 Ca 0.90 -1.09 -0.25 0.00 0.70 0.00 0.00 55.95 56.21 2qee s SER 2 Cb -0.83 0.41 -0.01 0.00 -1.71 0.00 0.00 66.02 63.88 2qee s SER 2 CO 0.52 -0.87 0.81 -0.63 1.20 0.00 0.00 173.24 174.27 2qee s ILE 3 N -4.04 4.89 -0.60 6.45 1.01 -0.95 -4.95 121.20 123.01 2qee s ILE 3 Ca 0.25 1.58 0.23 0.00 0.00 0.00 0.00 60.65 62.72 2qee s ILE 3 Cb 0.05 -4.12 -0.04 0.00 0.01 0.00 0.00 42.46 38.36 2qee s ILE 3 CO 0.05 0.02 1.15 -3.20 0.00 0.00 0.00 174.94 172.96 2qee n ASN 4 N 5.31 0.66 -3.85 3.58 5.15 -1.26 -4.85 115.26 119.99 2qee n ASN 4 Ca 0.04 -0.03 -0.10 0.00 -0.60 0.00 0.00 54.58 53.89 2qee n ASN 4 Cb 0.49 0.50 -0.08 0.00 -0.53 0.00 0.00 39.78 40.16 2qee n ASN 4 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 2qee s SER 5 N -4.15 0.06 0.39 1.20 1.04 -1.26 -5.02 113.70 105.96 2qee s SER 5 Ca 0.04 -0.45 0.06 0.00 0.48 0.00 0.00 55.95 56.09 2qee s SER 5 Cb 0.14 0.30 0.79 0.00 0.10 0.00 0.00 66.02 67.35 2qee s SER 5 CO 0.77 -0.60 2.02 -0.09 0.98 0.00 0.00 173.24 176.32 2qee h ARG 6 N 3.26 0.58 -0.29 4.02 2.43 -1.98 -0.58 114.38 121.82 2qee h ARG 6 Ca -0.33 -0.05 -0.16 0.00 -0.81 0.00 0.00 59.98 58.63 2qee h ARG 6 Cb 1.19 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 30.62 2qee h ARG 6 CO 0.50 0.41 -0.46 0.93 -1.51 0.00 0.00 179.97 179.85 2qee h GLU 7 N 0.59 0.82 -0.38 0.20 3.07 -1.99 0.15 114.58 117.04 2qee h GLU 7 Ca 0.16 -0.50 -0.15 0.00 -0.50 0.00 0.00 59.36 58.37 2qee h GLU 7 Cb -0.01 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 27.94 2qee h GLU 7 CO -0.03 1.13 -0.35 0.28 -1.40 0.00 0.00 179.01 178.64 2qee h VAL 8 N 0.59 1.28 -0.49 3.13 2.07 -1.94 -2.30 116.25 118.58 2qee h VAL 8 Ca 0.02 -1.52 0.08 0.00 0.82 0.00 0.00 66.70 66.11 2qee h VAL 8 Cb 1.06 1.39 -0.07 0.00 -1.52 0.00 0.00 31.29 32.15 2qee h VAL 8 CO 0.10 0.51 0.11 0.25 0.02 0.00 0.00 177.57 178.56 2qee h LEU 9 N 0.72 0.02 -0.58 2.57 5.85 -0.81 -0.89 115.31 122.19 2qee h LEU 9 Ca 0.06 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 2qee h LEU 9 Cb 0.94 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.05 2qee h LEU 9 CO 0.09 0.04 0.34 0.00 -0.34 0.00 0.00 178.44 178.56 2qee h ALA 10 N 1.38 0.74 -0.35 1.25 0.00 -0.53 0.89 119.26 122.64 2qee h ALA 10 Ca 0.25 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2qee h ALA 10 Cb 0.32 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2qee h ALA 10 CO -0.31 0.24 0.11 0.93 0.00 0.00 0.00 179.25 180.21 2qee h GLU 11 N 0.78 0.55 -0.45 0.00 4.39 -0.99 -1.40 114.58 117.47 2qee h GLU 11 Ca 0.21 -0.12 -0.13 0.00 0.34 0.00 0.00 59.36 59.65 2qee h GLU 11 Cb 0.01 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 2qee h GLU 11 CO -0.04 0.58 -0.24 0.87 -1.16 0.00 0.00 179.01 179.02 2qee h LYS 12 N 0.42 0.93 -0.12 2.33 1.79 -0.83 -1.18 116.57 119.90 2qee h LYS 12 Ca 0.11 -0.40 -0.01 0.00 -2.18 0.00 0.00 60.65 58.17 2qee h LYS 12 Cb 0.26 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.88 2qee h LYS 12 CO -0.00 1.06 0.04 0.28 -1.08 0.00 0.00 179.45 179.75 2qee h VAL 13 N 0.80 1.17 -0.45 0.50 2.07 -0.77 -0.62 116.25 118.94 2qee h VAL 13 Ca 0.10 -0.52 0.04 0.00 0.82 0.00 0.00 66.70 67.14 2qee h VAL 13 Cb 0.80 1.29 -0.04 0.00 -1.52 0.00 0.00 31.29 31.82 2qee h VAL 13 CO 0.07 0.16 0.22 0.11 0.02 0.00 0.00 177.57 178.14 2qee h LYS 14 N 0.02 0.43 -0.30 1.57 1.57 -1.11 0.62 116.57 119.37 2qee h LYS 14 Ca 0.04 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.82 2qee h LYS 14 Cb 0.21 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 2qee h LYS 14 CO -0.00 0.28 0.13 -0.91 -0.57 0.00 0.00 179.45 178.38 2qee h ASN 15 N 0.44 0.18 0.00 0.86 -0.26 -1.17 0.19 115.58 115.82 2qee h ASN 15 Ca 0.20 0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.96 2qee h ASN 15 Cb 0.11 -0.01 -0.00 0.00 -1.06 0.00 0.00 38.32 37.36 2qee h ASN 15 CO -0.15 0.14 -0.01 0.00 -1.06 0.00 0.00 177.43 176.36 2qee h ALA 16 N 1.17 -0.01 -0.30 -0.83 0.00 -0.61 0.15 119.26 118.82 2qee h ALA 16 Ca 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2qee h ALA 16 Cb 0.06 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2qee h ALA 16 CO -0.10 -0.51 0.16 0.28 0.00 0.00 0.00 179.25 179.07 2qee h VAL 17 N -0.02 1.14 -0.78 0.00 2.07 -0.70 -1.06 116.25 116.90 2qee h VAL 17 Ca 0.00 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.13 2qee h VAL 17 Cb 0.02 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 2qee h VAL 17 CO -0.01 0.14 0.40 0.78 0.02 0.00 0.00 177.57 178.90 2qee h ASN 18 N 0.36 0.99 1.69 0.57 2.35 -0.39 -3.03 115.58 118.12 2qee h ASN 18 Ca 0.10 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 2qee h ASN 18 Cb 0.08 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.20 2qee h ASN 18 CO -0.02 0.82 -0.06 0.78 -1.65 0.00 0.00 177.43 177.30 2qee h ASN 19 N 1.10 0.00 -2.95 5.81 2.35 -0.42 -3.45 115.58 118.02 2qee h ASN 19 Ca 0.27 -0.01 -0.56 0.00 -0.55 0.00 0.00 56.30 55.45 2qee h ASN 19 Cb 0.07 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.40 2qee h ASN 19 CO -0.04 0.00 0.85 -1.58 -1.65 0.00 0.00 177.43 175.01 2qee s GLN 20 N -3.16 4.27 0.28 0.81 2.00 -0.43 -4.96 119.66 118.46 2qee s GLN 20 Ca 0.08 1.70 -0.30 0.00 -2.00 0.00 0.00 55.36 54.84 2qee s GLN 20 Cb 0.09 -3.71 -0.11 0.00 0.80 0.00 0.00 33.01 30.09 2qee s GLN 20 CO 0.64 -0.63 1.48 -2.14 -0.50 0.00 0.00 175.29 174.14 2qee s PRO 21 N 3.11 4.21 -0.09 1.67 0.02 -1.26 -4.94 135.00 137.71 2qee s PRO 21 Ca 0.56 2.41 -0.14 0.00 0.02 0.00 0.00 61.00 63.86 2qee s PRO 21 Cb -0.23 -3.06 -0.05 0.00 0.02 0.00 0.00 34.50 31.17 2qee s PRO 21 CO 0.18 -0.48 0.33 0.08 -0.33 0.00 0.00 177.00 176.77 2qee s VAL 22 N -0.19 5.23 -0.23 3.83 1.01 0.21 -4.67 120.40 125.58 2qee s VAL 22 Ca 0.59 0.64 -0.17 0.00 0.00 0.00 0.00 61.98 63.04 2qee s VAL 22 Cb -0.44 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 2qee s VAL 22 CO 0.47 0.49 0.48 -0.89 0.00 0.00 0.00 175.10 175.65 2qee s THR 23 N -0.30 5.12 -0.47 3.92 2.01 -0.46 -0.83 115.64 124.63 2qee s THR 23 Ca 0.20 0.84 -0.14 0.00 0.31 0.00 0.00 61.69 62.90 2qee s THR 23 Cb -0.14 -3.80 0.09 0.00 0.01 0.00 0.00 72.50 68.65 2qee s THR 23 CO 0.08 0.16 0.38 -0.62 -0.69 0.00 0.00 174.62 173.93 2qee s ASP 24 N 1.31 6.02 0.00 3.53 -1.08 0.14 -4.72 116.67 121.87 2qee s ASP 24 Ca 0.21 -1.47 0.18 0.00 -0.52 0.00 0.00 52.55 50.94 2qee s ASP 24 Cb -0.15 -2.13 0.64 0.00 -1.46 0.00 0.00 42.92 39.81 2qee s ASP 24 CO 0.09 -0.66 1.47 1.15 0.52 0.00 0.00 175.17 177.74 2qee n MET 25 N 5.13 1.69 -3.43 4.34 0.00 -1.26 -1.04 117.12 122.55 2qee n MET 25 Ca -0.12 -1.05 -0.02 0.00 0.00 0.00 0.00 57.70 56.51 2qee n MET 25 Cb 0.43 -1.35 -0.05 0.00 0.00 0.00 0.00 33.22 32.25 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 -1.74 -1.24 0.28 3.17 5.65 -1.26 -4.72 115.29 115.43 2qee s HIS 26 Ca 0.29 1.72 0.04 0.00 0.25 0.00 0.00 55.06 57.36 2qee s HIS 26 Cb 0.15 0.50 -0.03 0.00 -1.18 0.00 0.00 32.58 32.02 2qee s HIS 26 CO 0.23 -0.71 0.21 0.95 -0.65 0.00 0.00 174.74 174.76 2qee s THR 27 N 2.77 0.04 -0.25 0.89 -4.23 -0.23 -1.44 115.64 113.19 2qee s THR 27 Ca 0.07 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 58.68 2qee s THR 27 Cb -0.14 -2.50 0.45 0.00 1.34 0.00 0.00 72.50 71.66 2qee s THR 27 CO -0.18 0.00 1.31 1.41 -0.54 0.00 0.00 174.62 176.62 2qee n HIS 28 N -0.50 0.61 -3.20 3.99 8.25 0.11 -2.29 115.22 122.19 2qee n HIS 28 Ca 0.05 -1.62 -0.23 0.00 -0.26 0.00 0.00 57.72 55.66 2qee n HIS 28 Cb 0.64 -0.35 -0.00 0.00 1.12 0.00 0.00 29.99 31.40 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 -3.28 3.84 0.06 2.41 1.43 -1.19 -4.65 118.68 117.30 2qee s LEU 29 Ca 0.42 0.32 0.03 0.00 -1.03 0.00 0.00 54.13 53.87 2qee s LEU 29 Cb 0.39 -3.20 -0.03 0.00 0.03 0.00 0.00 46.19 43.38 2qee s LEU 29 CO -0.04 -0.49 -0.10 -0.36 0.23 0.00 0.00 176.35 175.58 2qee s PHE 30 N -2.42 0.90 0.26 0.29 0.08 -1.26 -4.33 117.98 111.50 2qee s PHE 30 Ca 0.44 -0.52 -0.29 0.00 0.12 0.00 0.00 56.93 56.67 2qee s PHE 30 Cb -0.10 -0.52 -0.14 0.00 -0.57 0.00 0.00 43.02 41.69 2qee s PHE 30 CO 0.37 -0.03 1.11 0.45 -0.10 0.00 0.00 175.22 177.02 2qee n SER 31 N 1.23 1.61 0.30 1.36 2.88 -1.26 -4.80 113.62 114.94 2qee n SER 31 Ca -0.21 1.17 0.18 0.00 -1.33 0.00 0.00 58.87 58.68 2qee n SER 31 Cb 0.55 -1.31 0.91 0.00 -0.75 0.00 0.00 64.21 63.61 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 2.61 0.00 0.00 -1.46 0.13 -1.93 -0.39 132.00 130.95 2qee h PRO 32 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2qee h PRO 32 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 2qee h PRO 32 CO 0.65 0.04 0.00 0.27 -0.23 0.00 0.00 178.00 178.73 2qee n ASN 33 N -3.31 0.54 0.00 1.44 6.94 -1.26 -1.84 115.26 117.76 2qee n ASN 33 Ca -0.02 0.64 0.13 0.00 -0.02 0.00 0.00 54.58 55.31 2qee n ASN 33 Cb 0.18 -0.75 0.68 0.00 -2.36 0.00 0.00 39.78 37.53 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 -2.09 0.00 -2.97 -2.53 3.01 -0.16 -5.01 117.46 107.71 2qee n PHE 34 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.48 2qee n PHE 34 Cb 0.21 -0.21 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 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 0.82 0.39 0.28 1.37 0.00 -0.77 -4.33 105.19 102.94 2qee n GLY 35 Ca 0.14 -1.15 0.18 0.00 0.00 0.00 0.00 46.02 45.20 2qee n GLY 35 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2qee h GLU 36 N 0.00 0.00 0.00 1.61 4.39 -1.95 -1.59 114.58 117.04 2qee h GLU 36 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2qee h GLU 36 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2qee h GLU 36 CO 0.00 0.00 0.00 0.44 -1.16 0.00 0.00 179.01 178.29 2qee n ILE 37 N -2.91 0.86 -2.64 3.13 -5.35 -1.26 -4.29 119.36 106.89 2qee n ILE 37 Ca -0.01 0.33 -0.43 0.00 -0.27 0.00 0.00 62.75 62.37 2qee n ILE 37 Cb 0.17 -1.28 -0.02 0.00 -1.74 0.00 0.00 39.64 36.77 2qee n ILE 37 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 2qee s LEU 38 N -4.55 3.77 -0.06 7.28 2.96 -0.60 -4.77 118.68 122.72 2qee s LEU 38 Ca 0.03 0.60 -0.17 0.00 -0.22 0.00 0.00 54.13 54.36 2qee s LEU 38 Cb 0.09 -3.50 -0.05 0.00 0.50 0.00 0.00 46.19 43.23 2qee s LEU 38 CO 0.36 -1.11 0.48 -0.76 -1.32 0.00 0.00 176.35 174.00 2qee s LEU 39 N 4.12 4.37 0.14 -0.68 1.43 -1.26 -5.01 118.68 121.78 2qee s LEU 39 Ca 0.46 0.93 -0.23 0.00 -1.03 0.00 0.00 54.13 54.25 2qee s LEU 39 Cb -0.09 -2.70 0.07 0.00 0.03 0.00 0.00 46.19 43.50 2qee s LEU 39 CO 0.26 0.13 0.59 -1.66 0.23 0.00 0.00 176.35 175.90 2qee s TRP 40 N -0.09 -0.53 0.00 0.29 1.48 -1.26 -0.28 118.94 118.55 2qee s TRP 40 Ca 0.26 0.37 0.00 0.00 -1.06 0.00 0.00 56.10 55.67 2qee s TRP 40 Cb -0.16 0.53 0.00 0.00 -1.16 0.00 0.00 33.47 32.68 2qee s TRP 40 CO 0.13 -0.82 0.00 -0.40 -4.06 0.00 0.00 176.95 171.79 2qee n ASP 41 N -0.27 0.00 0.05 -2.66 3.85 -1.26 -4.59 116.55 111.68 2qee n ASP 41 Ca -0.17 0.00 -0.00 0.00 -0.71 0.00 0.00 54.79 53.91 2qee n ASP 41 Cb 0.64 0.00 0.30 0.00 -1.35 0.00 0.00 41.12 40.71 2qee n ASP 41 CO 0.00 0.00 0.00 -0.29 -1.01 0.00 0.00 177.20 175.90 2qee h ILE 42 N 0.00 1.22 -0.34 2.12 6.09 -1.95 -0.06 117.51 124.59 2qee h ILE 42 Ca 0.00 -0.96 -0.15 0.00 -1.37 0.00 0.00 64.86 62.38 2qee h ILE 42 Cb 0.00 1.19 -0.01 0.00 0.47 0.00 0.00 36.82 38.47 2qee h ILE 42 CO 0.00 0.31 -0.38 0.44 -3.07 0.00 0.00 178.15 175.45 2qee h ASP 43 N 0.37 0.85 -0.53 2.19 3.32 -1.95 0.36 116.42 121.03 2qee h ASP 43 Ca 0.07 -0.38 -0.10 0.00 0.02 0.00 0.00 57.03 56.64 2qee h ASP 43 Cb 0.47 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 2qee h ASP 43 CO 0.03 1.13 -0.05 -0.33 -1.72 0.00 0.00 179.24 178.29 2qee h GLU 44 N 0.65 0.97 -0.27 3.56 4.39 -1.69 -1.50 114.58 120.69 2qee h GLU 44 Ca 0.06 -0.34 0.04 0.00 0.34 0.00 0.00 59.36 59.46 2qee h GLU 44 Cb 0.94 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 29.48 2qee h GLU 44 CO 0.09 1.00 0.03 -0.07 -1.16 0.00 0.00 179.01 178.90 2qee h LEU 45 N 0.84 -0.04 -1.11 1.33 3.38 -0.78 -2.27 115.31 116.66 2qee h LEU 45 Ca 0.14 0.05 -0.09 0.00 0.09 0.00 0.00 57.88 58.08 2qee h LEU 45 Cb 0.60 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 2qee h LEU 45 CO 0.04 0.01 -0.36 -0.07 0.09 0.00 0.00 178.44 178.15 2qee h LEU 46 N 0.12 0.16 -2.08 1.67 3.38 -0.82 -3.08 115.31 114.65 2qee h LEU 46 Ca 0.13 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2qee h LEU 46 Cb 0.15 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2qee h LEU 46 CO -0.19 0.51 0.00 0.35 0.09 0.00 0.00 178.44 179.20 2qee n THR 47 N -4.08 0.74 -1.51 0.22 -2.24 -0.57 -4.63 114.28 102.21 2qee n THR 47 Ca -0.01 -0.75 -0.46 0.00 -2.27 0.00 0.00 64.05 60.56 2qee n THR 47 Cb 0.43 0.40 -0.02 0.00 -2.10 0.00 0.00 70.33 69.03 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 1.16 0.52 0.26 4.78 9.36 -0.87 -4.70 117.16 127.67 2qee n TYR 48 Ca 0.19 0.80 0.12 0.00 3.32 0.00 0.00 57.90 62.33 2qee n TYR 48 Cb 0.48 -2.13 0.73 0.00 -0.63 0.00 0.00 39.34 37.80 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 1.55 0.00 -0.99 2.98 2.07 -1.92 -0.72 115.15 118.13 2qee h HIS 49 Ca -0.35 0.00 0.03 0.00 -2.85 0.00 0.00 60.37 57.20 2qee h HIS 49 Cb 1.38 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 31.31 2qee h HIS 49 CO 0.45 0.10 0.65 1.88 -3.07 0.00 0.00 177.93 177.94 2qee h TYR 50 N 0.00 1.22 0.00 6.12 -1.99 -1.93 -1.83 116.97 118.57 2qee h TYR 50 Ca -0.00 0.03 -0.19 0.00 2.00 0.00 0.00 58.73 60.56 2qee h TYR 50 Cb 0.26 -0.41 -0.01 0.00 2.00 0.00 0.00 36.73 38.57 2qee h TYR 50 CO 0.00 0.73 -0.87 -0.07 -0.00 0.00 0.00 178.16 177.95 2qee h LEU 51 N 1.28 0.21 -0.35 3.88 3.38 -1.43 -2.87 115.31 119.41 2qee h LEU 51 Ca 0.38 -0.17 0.05 0.00 0.09 0.00 0.00 57.88 58.24 2qee h LEU 51 Cb -0.05 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 2qee h LEU 51 CO -0.11 0.98 0.05 0.58 0.09 0.00 0.00 178.44 180.03 2qee h VAL 52 N 0.09 0.80 -0.19 1.22 2.07 -1.07 0.53 116.25 119.69 2qee h VAL 52 Ca -0.04 -0.05 0.05 0.00 0.82 0.00 0.00 66.70 67.48 2qee h VAL 52 Cb 1.50 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 31.85 2qee h VAL 52 CO 0.13 0.03 -0.14 0.00 0.02 0.00 0.00 177.57 177.61 2qee h ALA 53 N 1.27 -0.00 -0.61 1.67 0.00 -1.34 -2.15 119.26 118.10 2qee h ALA 53 Ca 0.17 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 2qee h ALA 53 Cb 0.20 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 2qee h ALA 53 CO -0.24 -0.57 0.27 0.93 0.00 0.00 0.00 179.25 179.64 2qee h GLU 54 N -0.14 0.89 -0.38 0.00 5.08 -1.28 -2.86 114.58 115.88 2qee h GLU 54 Ca 0.12 -0.14 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 2qee h GLU 54 Cb 0.32 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 2qee h GLU 54 CO -0.28 0.73 -0.12 -0.24 -1.00 0.00 0.00 179.01 178.10 2qee h VAL 55 N 0.83 1.25 0.00 3.13 3.04 -0.65 -2.02 116.25 121.84 2qee h VAL 55 Ca 0.21 -1.13 0.00 0.00 -1.01 0.00 0.00 66.70 64.77 2qee h VAL 55 Cb 0.15 1.09 0.00 0.00 -2.01 0.00 0.00 31.29 30.53 2qee h VAL 55 CO -0.02 0.38 0.00 0.24 -1.01 0.00 0.00 177.57 177.16 2qee h MET 56 N 0.61 0.00 0.00 4.17 2.86 -1.17 0.80 114.93 122.20 2qee h MET 56 Ca 0.11 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 2qee h MET 56 Cb 0.56 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.22 2qee h MET 56 CO 0.04 0.00 0.00 0.00 1.06 0.00 0.00 176.91 178.01 2qee h ARG 57 N 0.00 0.00 0.00 1.72 3.08 -1.22 -3.38 114.38 114.59 2qee h ARG 57 Ca 0.00 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.90 2qee h ARG 57 Cb 0.31 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.34 2qee h ARG 57 CO 0.00 0.00 -1.54 0.91 -1.07 0.00 0.00 179.97 178.27 2qee n TRP 58 N -2.93 0.00 -2.39 3.04 7.02 -0.21 -5.07 117.44 116.90 2qee n TRP 58 Ca 0.01 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 56.13 2qee n TRP 58 Cb 0.29 -0.36 -0.02 0.00 -2.42 0.00 0.00 31.31 28.80 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 -2.19 3.44 -0.71 -0.99 -1.32 0.11 -4.94 115.64 109.03 2qee s THR 59 Ca -0.13 0.97 0.25 0.00 -1.21 0.00 0.00 61.69 61.57 2qee s THR 59 Cb 0.04 -3.44 0.16 0.00 -1.51 0.00 0.00 72.50 67.76 2qee s THR 59 CO 0.21 -0.12 1.56 0.47 -2.21 0.00 0.00 174.62 174.53 2qee n ASP 60 N -0.79 0.72 -4.69 8.08 8.00 -1.26 -4.89 116.55 121.71 2qee n ASP 60 Ca 0.09 0.33 -0.43 0.00 0.71 0.00 0.00 54.79 55.49 2qee n ASP 60 Cb 0.50 -0.30 -0.03 0.00 -0.02 0.00 0.00 41.12 41.27 2qee n ASP 60 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2qee n VAL 61 N -2.13 0.22 -1.83 2.53 0.31 -1.26 -4.97 118.33 111.19 2qee n VAL 61 Ca 0.05 -0.04 -0.35 0.00 -0.01 0.00 0.00 64.34 63.99 2qee n VAL 61 Cb 0.43 -1.96 0.05 0.00 -0.91 0.00 0.00 33.84 31.45 2qee n VAL 61 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2qee s SER 62 N 2.09 4.99 0.36 4.52 1.04 -1.26 -4.82 113.70 120.63 2qee s SER 62 Ca 0.80 2.24 0.12 0.00 0.48 0.00 0.00 55.95 59.60 2qee s SER 62 Cb -0.54 -2.58 0.92 0.00 0.10 0.00 0.00 66.02 63.92 2qee s SER 62 CO 0.37 -1.72 1.81 -0.29 0.98 0.00 0.00 173.24 174.40 2qee h ILE 63 N 0.40 0.69 -0.17 -1.02 6.09 -1.97 0.46 117.51 121.98 2qee h ILE 63 Ca -0.49 -0.20 -0.14 0.00 -1.37 0.00 0.00 64.86 62.66 2qee h ILE 63 Cb 1.28 0.05 0.00 0.00 0.47 0.00 0.00 36.82 38.63 2qee h ILE 63 CO 0.54 0.11 -0.46 -0.33 -3.07 0.00 0.00 178.15 174.93 2qee h GLU 64 N 0.58 0.61 -0.75 2.19 3.07 -1.94 -1.50 114.58 116.84 2qee h GLU 64 Ca 0.53 -0.43 0.01 0.00 -0.50 0.00 0.00 59.36 58.97 2qee h GLU 64 Cb 1.06 0.07 -0.04 0.00 -0.84 0.00 0.00 28.75 29.00 2qee h GLU 64 CO -0.27 1.05 0.49 0.00 -1.40 0.00 0.00 179.01 178.88 2qee h ALA 65 N 0.56 0.96 -0.03 3.43 0.00 -1.79 -1.98 119.26 120.41 2qee h ALA 65 Ca -0.01 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.88 2qee h ALA 65 Cb 1.08 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 2qee h ALA 65 CO 0.10 0.34 -0.11 0.35 0.00 0.00 0.00 179.25 179.93 2qee h PHE 66 N 0.99 -0.27 0.00 0.00 3.57 -0.68 -1.91 116.94 118.64 2qee h PHE 66 Ca 0.28 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.78 2qee h PHE 66 Cb -0.08 0.13 -0.00 0.00 2.79 0.00 0.00 35.95 38.78 2qee h PHE 66 CO -0.02 -0.16 -0.06 -1.49 -2.23 0.00 0.00 178.31 174.34 2qee h TRP 67 N -0.17 0.00 0.00 0.41 -0.00 -1.05 -1.90 115.95 113.23 2qee h TRP 67 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.94 2qee h TRP 67 Cb 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.40 2qee h TRP 67 CO -0.18 0.06 -0.08 0.00 -0.00 0.00 0.00 178.44 178.24 2qee h ALA 68 N 1.94 0.96 -2.40 1.49 0.00 -0.75 -3.46 119.26 117.04 2qee h ALA 68 Ca -0.00 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.40 2qee h ALA 68 Cb 0.31 0.00 0.09 0.00 0.00 0.00 0.00 17.79 18.19 2qee h ALA 68 CO 0.01 0.00 0.37 -1.64 0.00 0.00 0.00 179.25 177.99 2qee s MET 69 N -3.20 2.90 0.81 0.00 -1.94 -0.72 -5.04 119.30 112.12 2qee s MET 69 Ca 0.07 1.29 -0.11 0.00 -1.71 0.00 0.00 55.69 55.23 2qee s MET 69 Cb 0.07 -1.97 0.08 0.00 2.01 0.00 0.00 34.83 35.02 2qee s MET 69 CO 0.67 -1.15 1.09 -1.54 -0.01 0.00 0.00 175.02 174.07 2qee s SER 70 N -2.80 4.25 0.25 3.03 1.04 -1.26 -4.77 113.70 113.44 2qee s SER 70 Ca 0.65 1.52 -0.03 0.00 0.48 0.00 0.00 55.95 58.58 2qee s SER 70 Cb -0.18 -2.25 0.48 0.00 0.10 0.00 0.00 66.02 64.17 2qee s SER 70 CO 0.42 -2.15 1.76 0.50 0.98 0.00 0.00 173.24 174.75 2qee h LYS 71 N -1.21 0.57 -0.84 4.02 3.64 -1.96 0.21 116.57 121.00 2qee h LYS 71 Ca -0.47 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 58.85 2qee h LYS 71 Cb 1.26 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.91 2qee h LYS 71 CO 0.56 0.38 0.40 -0.09 -2.27 0.00 0.00 179.45 178.42 2qee h ARG 72 N 0.59 1.21 -0.32 1.90 2.43 -1.93 0.16 114.38 118.41 2qee h ARG 72 Ca 0.43 -0.18 -0.16 0.00 -0.81 0.00 0.00 59.98 59.26 2qee h ARG 72 Cb 0.60 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.93 2qee h ARG 72 CO -0.35 0.93 -0.44 0.93 -1.51 0.00 0.00 179.97 179.53 2qee h GLU 73 N 1.19 0.86 -0.28 0.20 5.08 -1.70 0.50 114.58 120.43 2qee h GLU 73 Ca 0.29 -0.50 0.01 0.00 -1.00 0.00 0.00 59.36 58.16 2qee h GLU 73 Cb 0.13 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 2qee h GLU 73 CO -0.03 1.14 0.16 1.96 -1.00 0.00 0.00 179.01 181.23 2qee h GLN 74 N 0.64 0.31 -0.80 2.33 4.20 -0.19 -1.13 115.11 120.47 2qee h GLN 74 Ca 0.03 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.68 2qee h GLN 74 Cb 1.04 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.72 2qee h GLN 74 CO 0.10 0.21 0.33 0.00 -0.67 0.00 0.00 178.83 178.80 2qee h ALA 75 N 1.13 1.04 -0.75 3.87 0.00 -0.53 -0.86 119.26 123.16 2qee h ALA 75 Ca 0.11 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 2qee h ALA 75 Cb 0.01 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 2qee h ALA 75 CO -0.06 0.66 0.31 -0.44 0.00 0.00 0.00 179.25 179.72 2qee h ASP 76 N 1.17 1.01 -0.17 0.00 3.32 -0.54 0.15 116.42 121.36 2qee h ASP 76 Ca 0.27 -0.14 -0.04 0.00 0.02 0.00 0.00 57.03 57.14 2qee h ASP 76 Cb 0.20 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 2qee h ASP 76 CO -0.02 0.89 -0.04 0.25 -1.72 0.00 0.00 179.24 178.59 2qee h LEU 77 N 1.08 0.34 -0.55 1.55 5.85 -0.55 -1.93 115.31 121.10 2qee h LEU 77 Ca 0.25 -0.37 0.01 0.00 0.84 0.00 0.00 57.88 58.61 2qee h LEU 77 Cb 0.18 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 2qee h LEU 77 CO -0.02 0.63 0.37 0.40 -0.34 0.00 0.00 178.44 179.47 2qee h ILE 78 N 0.05 1.14 -0.03 4.05 2.04 -1.03 0.11 117.51 123.83 2qee h ILE 78 Ca 0.04 -0.26 0.01 0.00 1.00 0.00 0.00 64.86 65.66 2qee h ILE 78 Cb 0.48 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 2qee h ILE 78 CO 0.02 0.14 -0.04 -0.25 0.00 0.00 0.00 178.15 178.01 2qee h TRP 79 N 0.75 -0.11 -0.30 1.37 2.91 -0.83 -0.03 115.95 119.72 2qee h TRP 79 Ca 0.20 0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.22 2qee h TRP 79 Cb -0.08 0.05 -0.01 0.00 -0.51 0.00 0.00 29.16 28.61 2qee h TRP 79 CO -0.04 -0.07 0.14 1.49 -1.03 0.00 0.00 178.44 178.93 2qee h GLU 80 N -0.06 0.43 -0.16 2.65 4.57 -1.03 -0.75 114.58 120.23 2qee h GLU 80 Ca 0.03 -0.06 -0.19 0.00 -1.18 0.00 0.00 59.36 57.96 2qee h GLU 80 Cb 0.11 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 28.62 2qee h GLU 80 CO -0.07 0.41 -0.67 0.93 -1.18 0.00 0.00 179.01 178.42 2qee h GLU 81 N 0.34 0.62 0.00 1.92 4.39 -0.66 0.90 114.58 122.09 2qee h GLU 81 Ca 0.10 -0.46 0.00 0.00 0.34 0.00 0.00 59.36 59.34 2qee h GLU 81 Cb 0.12 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 2qee h GLU 81 CO -0.01 1.08 -1.42 1.28 -1.16 0.00 0.00 179.01 178.77 2qee n LEU 82 N -3.92 0.19 -0.05 1.33 4.77 -0.04 -3.90 117.00 115.38 2qee n LEU 82 Ca -0.05 -0.14 -0.06 0.00 -0.03 0.00 0.00 56.01 55.74 2qee n LEU 82 Cb 0.68 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.71 2qee n LEU 82 CO 0.50 0.05 -0.82 0.49 -1.33 0.00 0.00 177.39 176.27 2qee n PHE 83 N -1.84 0.00 -0.11 -1.77 3.72 -0.34 -3.50 117.46 113.62 2qee n PHE 83 Ca -0.01 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.15 2qee n PHE 83 Cb 0.35 -0.44 -0.12 0.00 -0.94 0.00 0.00 39.48 38.34 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 -2.51 1.56 0.18 4.37 2.08 -0.91 -4.42 119.36 119.71 2qee n ILE 84 Ca -0.16 -0.43 0.07 0.00 0.56 0.00 0.00 62.75 62.79 2qee n ILE 84 Cb 0.76 -1.74 0.13 0.00 -0.75 0.00 0.00 39.64 38.04 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 -0.51 0.00 -4.17 0.38 1.57 -1.01 -3.45 116.57 109.38 2qee h LYS 85 Ca -0.56 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.06 2qee h LYS 85 Cb 1.72 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 33.85 2qee h LYS 85 CO -0.20 0.28 -0.69 1.03 -0.57 0.00 0.00 179.45 179.30 2qee s ARG 86 N -3.12 0.48 0.30 3.15 3.00 -1.25 -5.05 118.95 116.45 2qee s ARG 86 Ca 0.05 -0.90 -0.29 0.00 0.00 0.00 0.00 55.73 54.58 2qee s ARG 86 Cb 0.07 0.10 -0.10 0.00 0.00 0.00 0.00 34.95 35.02 2qee s ARG 86 CO 0.70 -0.06 1.19 -1.12 0.00 0.00 0.00 175.30 176.01 2qee s SER 87 N -2.13 7.06 -1.21 0.23 0.01 -1.26 -3.48 113.70 112.91 2qee s SER 87 Ca -0.05 2.45 -0.08 0.00 1.31 0.00 0.00 55.95 59.58 2qee s SER 87 Cb -0.02 -2.64 -0.09 0.00 0.21 0.00 0.00 66.02 63.48 2qee s SER 87 CO -0.05 -0.31 2.71 -0.81 0.41 0.00 0.00 173.24 175.19 2qee n PRO 88 N 1.06 2.95 0.10 12.44 -0.04 -1.23 -4.60 135.00 145.69 2qee n PRO 88 Ca -0.01 -1.80 0.12 0.00 -0.04 0.00 0.00 63.50 61.77 2qee n PRO 88 Cb 0.43 -2.59 0.19 0.00 -0.04 0.00 0.00 33.50 31.50 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 3.05 0.00 -4.14 0.52 -1.51 -1.90 -3.11 116.25 109.16 2qee h VAL 89 Ca 0.67 -0.66 -0.53 0.00 -1.23 0.00 0.00 66.70 64.95 2qee h VAL 89 Cb 0.35 1.38 0.19 0.00 -2.13 0.00 0.00 31.29 31.08 2qee h VAL 89 CO 1.50 0.00 0.24 -1.54 -1.23 0.00 0.00 177.57 176.54 2qee n SER 90 N -2.40 0.66 -0.27 4.19 3.41 -1.26 -4.71 113.62 113.24 2qee n SER 90 Ca 0.03 0.54 -0.02 0.00 -0.26 0.00 0.00 58.87 59.16 2qee n SER 90 Cb 0.47 -1.48 0.10 0.00 -0.26 0.00 0.00 64.21 63.04 2qee n SER 90 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2qee h GLU 91 N -1.13 0.86 -0.38 4.33 4.57 -1.97 0.24 114.58 121.10 2qee h GLU 91 Ca -0.45 -0.05 -0.12 0.00 -1.18 0.00 0.00 59.36 57.55 2qee h GLU 91 Cb 1.29 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 29.68 2qee h GLU 91 CO 0.44 0.57 -0.25 0.00 -1.18 0.00 0.00 179.01 178.58 2qee h ALA 92 N 1.33 0.83 -0.04 2.92 0.00 -1.95 0.95 119.26 123.30 2qee h ALA 92 Ca 0.31 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 2qee h ALA 92 Cb 0.07 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2qee h ALA 92 CO -0.13 0.64 -0.14 0.00 0.00 0.00 0.00 179.25 179.62 2qee h ARG 94 N -0.38 0.20 -0.71 0.00 2.43 -0.45 -1.78 114.38 113.70 2qee h ARG 94 Ca -0.00 -0.01 0.15 0.00 -0.81 0.00 0.00 59.98 59.30 2qee h ARG 94 Cb 0.76 -0.05 -0.10 0.00 -0.42 0.00 0.00 29.97 30.16 2qee h ARG 94 CO 0.03 0.13 0.18 0.78 -1.51 0.00 0.00 179.97 179.58 2qee h GLY 95 N 0.21 0.98 0.66 2.80 0.00 -0.53 -0.91 103.07 106.28 2qee h GLY 95 Ca 0.40 -0.05 0.06 0.00 0.00 0.00 0.00 47.33 47.74 2qee h GLY 95 CO -0.54 -0.17 0.41 -2.08 0.00 0.00 0.00 176.54 174.16 2qee h VAL 96 N 0.29 0.97 -0.47 4.60 2.07 -1.06 -1.18 116.25 121.47 2qee h VAL 96 Ca 0.40 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.63 2qee h VAL 96 Cb 0.65 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 2qee h VAL 96 CO -0.48 0.14 0.15 -0.07 0.02 0.00 0.00 177.57 177.33 2qee h LEU 97 N 0.74 0.67 -1.13 2.57 3.38 -1.14 -1.27 115.31 119.13 2qee h LEU 97 Ca 0.32 -0.20 0.04 0.00 0.09 0.00 0.00 57.88 58.14 2qee h LEU 97 Cb 0.21 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 2qee h LEU 97 CO -0.19 0.69 0.59 0.74 0.09 0.00 0.00 178.44 180.36 2qee h THR 98 N 0.62 1.12 0.28 0.22 2.02 -0.59 -0.30 112.91 116.27 2qee h THR 98 Ca 0.15 -0.38 -0.01 0.00 0.77 0.00 0.00 66.41 66.94 2qee h THR 98 Cb 0.25 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.59 2qee h THR 98 CO -0.01 0.20 -0.13 0.00 0.37 0.00 0.00 175.52 175.95 2qee h LEU 100 N -0.56 -0.46 -0.66 0.00 3.38 -0.90 -1.57 115.31 114.54 2qee h LEU 100 Ca -0.04 0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.08 2qee h LEU 100 Cb 0.41 0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.38 2qee h LEU 100 CO 0.06 -0.17 0.41 -0.61 0.09 0.00 0.00 178.44 178.22 2qee h GLN 101 N -0.08 0.78 -0.94 1.13 4.15 -0.98 -0.55 115.11 118.61 2qee h GLN 101 Ca 0.16 -0.05 0.05 0.00 0.77 0.00 0.00 58.65 59.58 2qee h GLN 101 Cb 0.32 -0.18 -0.06 0.00 0.21 0.00 0.00 27.48 27.78 2qee h GLN 101 CO -0.36 0.51 0.61 0.78 -1.93 0.00 0.00 178.83 178.45 2qee h GLY 102 N 0.80 1.37 1.04 2.39 0.00 -0.64 -0.82 103.07 107.21 2qee h GLY 102 Ca 0.27 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 47.15 2qee h GLY 102 CO -0.11 0.37 0.00 1.04 0.00 0.00 0.00 176.54 177.84 2qee n LEU 103 N -4.46 0.00 -0.02 3.11 4.77 -0.64 -4.86 117.00 114.91 2qee n LEU 103 Ca 0.13 0.02 -0.00 0.00 -0.03 0.00 0.00 56.01 56.13 2qee n LEU 103 Cb 0.14 -0.02 -0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2qee n LEU 103 CO 0.34 -0.00 -0.00 0.61 -1.33 0.00 0.00 177.39 177.00 2qee n GLY 104 N 0.59 0.46 3.91 -0.72 0.00 -0.31 -5.05 105.19 104.07 2qee n GLY 104 Ca 0.18 -0.42 -0.28 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.05 2.64 -0.39 0.99 1.43 -0.25 -5.01 118.68 118.04 2qee s LEU 105 Ca 0.00 0.65 0.03 0.00 -1.03 0.00 0.00 54.13 53.78 2qee s LEU 105 Cb 0.00 -3.21 0.11 0.00 0.03 0.00 0.00 46.19 43.11 2qee s LEU 105 CO 0.00 -1.77 0.12 -0.62 0.23 0.00 0.00 176.35 174.31 2qee s ASP 106 N -4.55 4.80 0.56 2.29 2.15 -1.26 -4.10 116.67 116.56 2qee s ASP 106 Ca 0.61 -2.29 0.38 0.00 0.43 0.00 0.00 52.55 51.68 2qee s ASP 106 Cb -0.11 -1.67 2.03 0.00 -0.30 0.00 0.00 42.92 42.87 2qee s ASP 106 CO 0.47 -0.39 2.15 -0.65 -0.17 0.00 0.00 175.17 176.59 2qee h PRO 107 N 7.50 0.00 -0.09 4.34 0.11 -1.90 -2.60 132.00 139.36 2qee h PRO 107 Ca -0.06 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.02 2qee h PRO 107 Cb 1.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 2qee h PRO 107 CO 0.58 0.00 -0.07 0.00 -0.21 0.00 0.00 178.00 178.30 2qee h ALA 108 N 2.00 1.72 0.00 -0.75 0.00 -2.01 -2.65 119.26 117.57 2qee h ALA 108 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2qee h ALA 108 Cb 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2qee h ALA 108 CO 0.00 0.21 -0.17 1.79 0.00 0.00 0.00 179.25 181.08 2qee h THR 109 N 0.13 0.00 -4.09 0.00 1.35 -1.90 -3.47 112.91 104.92 2qee h THR 109 Ca 0.03 -0.95 -0.31 0.00 -0.55 0.00 0.00 66.41 64.64 2qee h THR 109 Cb 0.21 1.86 -0.02 0.00 -1.73 0.00 0.00 68.15 68.47 2qee h THR 109 CO 0.01 0.00 -0.41 0.54 -0.25 0.00 0.00 175.52 175.41 2qee n ARG 110 N -2.94 -2.64 -3.18 4.72 1.74 -1.00 -4.88 116.66 108.47 2qee n ARG 110 Ca 0.03 0.66 -0.45 0.00 -0.77 0.00 0.00 57.85 57.32 2qee n ARG 110 Cb 0.52 -5.31 -0.01 0.00 -1.02 0.00 0.00 32.46 26.64 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 -2.22 6.90 0.36 0.55 -1.08 -1.26 -4.85 116.67 115.08 2qee s ASP 111 Ca 0.10 -2.79 0.07 0.00 -0.52 0.00 0.00 52.55 49.42 2qee s ASP 111 Cb -0.05 -2.28 0.70 0.00 -1.46 0.00 0.00 42.92 39.83 2qee s ASP 111 CO 0.13 -0.65 1.90 0.25 0.52 0.00 0.00 175.17 177.32 2qee h LEU 112 N 8.44 0.36 -0.76 -1.34 5.85 -1.99 -0.99 115.31 124.89 2qee h LEU 112 Ca 0.17 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 2qee h LEU 112 Cb 0.98 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.87 2qee h LEU 112 CO 0.97 0.47 0.39 1.56 -0.34 0.00 0.00 178.44 181.48 2qee h GLN 113 N 0.37 1.07 -0.35 1.25 1.08 -2.00 -1.53 115.11 115.01 2qee h GLN 113 Ca 0.08 -0.14 -0.14 0.00 -1.45 0.00 0.00 58.65 57.00 2qee h GLN 113 Cb 0.33 -0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 27.55 2qee h GLN 113 CO 0.01 0.82 -0.33 0.28 -0.95 0.00 0.00 178.83 178.66 2qee h VAL 114 N 1.06 1.28 -0.80 -0.54 2.07 -1.79 -2.48 116.25 115.05 2qee h VAL 114 Ca 0.26 -1.49 0.05 0.00 0.82 0.00 0.00 66.70 66.34 2qee h VAL 114 Cb 0.08 1.37 -0.05 0.00 -1.52 0.00 0.00 31.29 31.16 2qee h VAL 114 CO -0.04 0.49 0.50 1.88 0.02 0.00 0.00 177.57 180.42 2qee h TYR 115 N 0.65 0.93 -0.66 1.57 0.05 -0.92 -2.33 116.97 116.25 2qee h TYR 115 Ca 0.07 0.03 0.02 0.00 0.05 0.00 0.00 58.73 58.90 2qee h TYR 115 Cb 0.88 -0.30 -0.04 0.00 1.01 0.00 0.00 36.73 38.28 2qee h TYR 115 CO 0.05 0.50 0.44 0.00 -1.05 0.00 0.00 178.16 178.09 2qee h ARG 116 N 0.94 0.80 -0.20 4.88 3.08 -0.94 -2.55 114.38 120.39 2qee h ARG 116 Ca 0.34 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.29 2qee h ARG 116 Cb 0.10 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 2qee h ARG 116 CO -0.15 0.53 -0.11 0.93 -1.07 0.00 0.00 179.97 180.10 2qee h GLU 117 N 0.83 0.32 -0.51 0.04 5.08 -0.97 -1.92 114.58 117.45 2qee h GLU 117 Ca 0.26 -0.08 0.06 0.00 -1.00 0.00 0.00 59.36 58.60 2qee h GLU 117 Cb 0.01 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.16 2qee h GLU 117 CO -0.07 0.44 0.22 -0.92 -1.00 0.00 0.00 179.01 177.69 2qee h TYR 118 N 0.30 0.40 -0.03 4.33 3.20 -1.41 -3.02 116.97 120.74 2qee h TYR 118 Ca 0.06 0.02 -0.15 0.00 3.14 0.00 0.00 58.73 61.80 2qee h TYR 118 Cb 0.39 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.54 2qee h TYR 118 CO 0.01 0.16 -0.68 0.74 -1.64 0.00 0.00 178.16 176.75 2qee h PHE 119 N 0.43 0.18 0.00 -3.82 0.04 -1.43 -3.16 116.94 109.18 2qee h PHE 119 Ca 0.24 -0.08 -0.01 0.00 2.80 0.00 0.00 57.97 60.91 2qee h PHE 119 Cb 0.20 -0.03 -0.00 0.00 2.20 0.00 0.00 35.95 38.32 2qee h PHE 119 CO -0.13 0.77 -0.06 0.00 -0.60 0.00 0.00 178.31 178.30 2qee h ALA 120 N 1.20 1.20 -0.00 2.45 0.00 -1.36 -2.50 119.26 120.24 2qee h ALA 120 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2qee h ALA 120 Cb 1.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2qee h ALA 120 CO 0.10 0.07 -0.15 1.63 0.00 0.00 0.00 179.25 180.90 2qee n LYS 121 N -3.44 0.40 -4.38 0.00 5.02 -1.19 -4.94 118.16 109.63 2qee n LYS 121 Ca -0.02 -0.13 -0.28 0.00 -2.02 0.00 0.00 58.31 55.86 2qee n LYS 121 Cb 0.19 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.58 2qee n LYS 121 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2qee s LYS 122 N -2.69 1.51 0.61 1.97 1.02 -0.94 -5.13 119.74 116.09 2qee s LYS 122 Ca 0.22 -1.37 -0.06 0.00 0.02 0.00 0.00 55.97 54.78 2qee s LYS 122 Cb 0.19 -1.93 0.02 0.00 -0.52 0.00 0.00 37.83 35.59 2qee s LYS 122 CO 0.53 0.44 0.93 0.95 -0.92 0.00 0.00 175.35 177.27 2qee s THR 123 N -1.26 3.38 0.19 2.17 -4.23 -1.26 -4.95 115.64 109.67 2qee s THR 123 Ca 0.17 -0.04 -0.12 0.00 -1.18 0.00 0.00 61.69 60.51 2qee s THR 123 Cb -0.09 -3.36 0.10 0.00 1.34 0.00 0.00 72.50 70.48 2qee s THR 123 CO 0.08 -0.38 1.81 0.28 -0.54 0.00 0.00 174.62 175.87 2qee h SER 124 N -0.26 0.49 -0.42 3.99 0.02 -1.97 -1.05 113.55 114.35 2qee h SER 124 Ca -0.45 0.02 0.02 0.00 -0.84 0.00 0.00 61.79 60.53 2qee h SER 124 Cb 1.27 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 63.70 2qee h SER 124 CO 0.61 0.34 0.25 -0.33 -1.14 0.00 0.00 176.83 176.56 2qee h GLU 125 N 0.62 0.50 -0.75 3.45 3.07 -1.95 -0.10 114.58 119.43 2qee h GLU 125 Ca 0.24 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 59.06 2qee h GLU 125 Cb 0.09 -0.11 -0.04 0.00 -0.84 0.00 0.00 28.75 27.85 2qee h GLU 125 CO -0.13 0.33 0.41 0.93 -1.40 0.00 0.00 179.01 179.15 2qee h GLU 126 N 0.51 1.05 -0.35 2.33 5.08 -1.88 -1.04 114.58 120.28 2qee h GLU 126 Ca 0.17 -0.12 -0.17 0.00 -1.00 0.00 0.00 59.36 58.23 2qee h GLU 126 Cb 0.00 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.04 2qee h GLU 126 CO -0.07 0.78 -0.45 0.37 -1.00 0.00 0.00 179.01 178.64 2qee h GLN 127 N 1.04 0.92 -0.17 2.33 5.75 -0.70 -1.09 115.11 123.19 2qee h GLN 127 Ca 0.26 -0.52 0.05 0.00 -0.15 0.00 0.00 58.65 58.29 2qee h GLN 127 Cb 0.03 0.04 -0.06 0.00 1.07 0.00 0.00 27.48 28.56 2qee h GLN 127 CO -0.04 1.17 -0.21 0.28 -2.65 0.00 0.00 178.83 177.38 2qee h VAL 128 N 0.73 0.46 -0.57 2.39 2.07 -0.89 0.21 116.25 120.64 2qee h VAL 128 Ca 0.04 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.65 2qee h VAL 128 Cb 1.05 0.46 -0.07 0.00 -1.52 0.00 0.00 31.29 31.21 2qee h VAL 128 CO 0.11 0.00 0.21 0.44 0.02 0.00 0.00 177.57 178.34 2qee h ASP 129 N -0.25 0.20 0.07 0.57 3.32 -0.93 -0.77 116.42 118.63 2qee h ASP 129 Ca 0.11 0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.23 2qee h ASP 129 Cb 0.42 0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.03 2qee h ASP 129 CO -0.31 0.13 -0.03 0.74 -1.72 0.00 0.00 179.24 178.04 2qee h THR 130 N 0.38 1.03 -0.42 0.35 2.02 -0.79 -2.78 112.91 112.70 2qee h THR 130 Ca 0.29 -0.32 -0.03 0.00 0.77 0.00 0.00 66.41 67.11 2qee h THR 130 Cb 0.34 1.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.97 2qee h THR 130 CO -0.29 0.08 0.13 0.58 0.37 0.00 0.00 175.52 176.39 2qee h VAL 131 N -0.23 1.22 -0.15 3.16 2.07 -0.36 -0.37 116.25 121.58 2qee h VAL 131 Ca -0.01 -0.72 -0.05 0.00 0.82 0.00 0.00 66.70 66.74 2qee h VAL 131 Cb 0.20 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 2qee h VAL 131 CO 0.02 0.26 -0.13 -0.07 0.02 0.00 0.00 177.57 177.66 2qee h LEU 132 N 0.54 0.23 0.21 2.57 3.38 -1.18 -0.09 115.31 120.96 2qee h LEU 132 Ca 0.14 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2qee h LEU 132 Cb 0.26 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2qee h LEU 132 CO -0.00 0.39 -0.10 -0.61 0.09 0.00 0.00 178.44 178.20 2qee h GLN 133 N 0.23 -0.27 -0.85 1.13 -0.00 -1.24 -1.03 115.11 113.08 2qee h GLN 133 Ca 0.05 0.02 0.04 0.00 -0.00 0.00 0.00 58.65 58.75 2qee h GLN 133 Cb 0.37 0.06 -0.05 0.00 0.00 0.00 0.00 27.48 27.86 2qee h GLN 133 CO 0.02 0.10 0.55 -0.07 0.00 0.00 0.00 178.83 179.43 2qee h LEU 134 N -0.73 0.90 -0.29 -2.39 3.38 -0.84 -1.81 115.31 113.52 2qee h LEU 134 Ca -0.03 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2qee h LEU 134 Cb 0.50 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2qee h LEU 134 CO 0.05 0.62 -0.12 0.00 0.09 0.00 0.00 178.44 179.07 2qee n ALA 135 N -2.34 2.79 -3.89 1.53 0.00 -0.07 -4.94 120.51 113.59 2qee n ALA 135 Ca 0.11 -0.29 -0.24 0.00 0.00 0.00 0.00 53.44 53.01 2qee n ALA 135 Cb 0.10 -1.31 -0.01 0.00 0.00 0.00 0.00 19.45 18.24 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 -0.87 -0.64 -4.43 0.00 5.15 -0.58 -4.81 115.26 109.08 2qee n ASN 136 Ca 0.15 -0.95 -0.36 0.00 -0.60 0.00 0.00 54.58 52.81 2qee n ASN 136 Cb 0.29 -3.33 -0.13 0.00 -0.53 0.00 0.00 39.78 36.08 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 -3.86 4.09 -0.11 3.44 1.01 -0.49 -0.62 120.40 123.84 2qee s VAL 137 Ca 0.02 -0.25 0.16 0.00 0.00 0.00 0.00 61.98 61.92 2qee s VAL 137 Cb -0.01 -2.89 -0.21 0.00 0.00 0.00 0.00 36.38 33.27 2qee s VAL 137 CO 0.87 0.38 0.55 -1.54 0.00 0.00 0.00 175.10 175.35 2qee n SER 138 N 4.70 0.56 -3.77 3.32 3.41 -0.01 -4.72 113.62 117.10 2qee n SER 138 Ca -0.17 0.25 -0.13 0.00 -0.26 0.00 0.00 58.87 58.57 2qee n SER 138 Cb 0.51 0.49 -0.13 0.00 -0.26 0.00 0.00 64.21 64.82 2qee n SER 138 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2qee s ASP 139 N -5.67 -0.18 -0.14 4.04 1.01 -1.15 -4.76 116.67 109.83 2qee s ASP 139 Ca -0.06 0.38 0.02 0.00 0.71 0.00 0.00 52.55 53.60 2qee s ASP 139 Cb 0.08 0.32 0.00 0.00 1.01 0.00 0.00 42.92 44.34 2qee s ASP 139 CO 0.83 -0.11 -0.20 -0.69 0.21 0.00 0.00 175.17 175.21 2qee s VAL 140 N 0.67 2.27 -0.22 -1.27 1.01 0.11 -0.69 120.40 122.29 2qee s VAL 140 Ca -0.05 -0.91 -0.16 0.00 0.00 0.00 0.00 61.98 60.86 2qee s VAL 140 Cb -0.06 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 2qee s VAL 140 CO -0.04 0.54 0.42 -0.69 0.00 0.00 0.00 175.10 175.34 2qee s VAL 141 N 0.74 5.17 0.75 2.92 1.01 -0.20 0.20 120.40 130.99 2qee s VAL 141 Ca -0.08 0.73 -0.08 0.00 0.00 0.00 0.00 61.98 62.55 2qee s VAL 141 Cb -0.16 -3.75 0.09 0.00 0.00 0.00 0.00 36.38 32.56 2qee s VAL 141 CO 0.00 0.21 1.08 -0.04 0.00 0.00 0.00 175.10 176.35 2qee s MET 142 N 1.58 1.90 -0.31 2.72 -1.94 0.36 -1.07 119.30 122.55 2qee s MET 142 Ca 0.19 -0.31 -0.03 0.00 -1.71 0.00 0.00 55.69 53.83 2qee s MET 142 Cb -0.15 -2.11 0.05 0.00 2.01 0.00 0.00 34.83 34.62 2qee s MET 142 CO 0.09 -1.47 0.02 0.99 -0.01 0.00 0.00 175.02 174.64 2qee s THR 143 N -3.37 3.19 -0.19 2.05 2.01 -0.97 -3.40 115.64 114.96 2qee s THR 143 Ca 0.63 -1.29 -0.02 0.00 0.31 0.00 0.00 61.69 61.32 2qee s THR 143 Cb -0.09 -2.81 -0.00 0.00 0.01 0.00 0.00 72.50 69.60 2qee s THR 143 CO 0.46 -0.10 -0.09 0.20 -0.69 0.00 0.00 174.62 174.40 2qee s ASN 144 N 1.30 4.02 -0.31 3.53 -0.87 0.37 -4.94 114.94 118.04 2qee s ASN 144 Ca -0.04 -0.42 0.03 0.00 -1.57 0.00 0.00 52.86 50.86 2qee s ASN 144 Cb -0.19 -1.66 0.08 0.00 -0.02 0.00 0.00 41.25 39.46 2qee s ASN 144 CO -0.00 0.03 -0.01 -0.62 -2.57 0.00 0.00 177.10 173.93 2qee s ASP 145 N 1.19 4.59 0.00 -1.22 -1.08 -1.26 -0.76 116.67 118.13 2qee s ASP 145 Ca 0.02 -1.84 0.14 0.00 -0.52 0.00 0.00 52.55 50.35 2qee s ASP 145 Cb -0.14 -1.56 0.64 0.00 -1.46 0.00 0.00 42.92 40.40 2qee s ASP 145 CO -0.03 -0.31 1.44 -0.81 0.52 0.00 0.00 175.17 175.98 2qee n PRO 146 N 4.35 0.06 0.00 4.34 -0.04 -1.26 -0.94 135.00 141.51 2qee n PRO 146 Ca -0.03 0.23 0.14 0.00 -0.04 0.00 0.00 63.50 63.79 2qee n PRO 146 Cb 0.42 -1.50 0.49 0.00 -0.04 0.00 0.00 33.50 32.87 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 -1.44 0.00 -3.11 0.54 3.72 -1.26 -4.73 117.46 111.18 2qee n PHE 147 Ca 0.04 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.03 2qee n PHE 147 Cb 0.15 -0.15 -0.06 0.00 -0.94 0.00 0.00 39.48 38.48 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 -2.49 6.49 0.24 4.37 2.15 -0.11 -4.95 116.67 122.36 2qee s ASP 148 Ca 0.26 0.39 -0.06 0.00 0.43 0.00 0.00 52.55 53.58 2qee s ASP 148 Cb 0.20 -2.33 0.30 0.00 -0.30 0.00 0.00 42.92 40.78 2qee s ASP 148 CO 0.50 -0.50 1.87 0.44 -0.17 0.00 0.00 175.17 177.30 2qee h ASP 149 N 8.23 0.88 1.04 -0.34 3.32 -1.86 0.34 116.42 128.03 2qee h ASP 149 Ca -0.27 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.79 2qee h ASP 149 Cb 1.12 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.48 2qee h ASP 149 CO 0.81 0.59 0.00 -1.13 -1.72 0.00 0.00 179.24 177.79 2qee h ASN 150 N 1.03 0.00 0.06 6.45 -0.73 -1.95 -2.75 115.58 117.70 2qee h ASN 150 Ca 0.36 0.00 -0.38 0.00 1.87 0.00 0.00 56.30 58.15 2qee h ASN 150 Cb 0.09 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 38.63 2qee h ASN 150 CO -0.14 0.00 -2.25 -0.62 -0.37 0.00 0.00 177.43 174.05 2qee n GLU 151 N -2.98 0.70 -0.20 6.67 1.02 -0.83 -4.42 120.64 120.60 2qee n GLU 151 Ca 0.01 0.21 0.15 0.00 -0.02 0.00 0.00 57.16 57.51 2qee n GLU 151 Cb 0.31 -1.61 0.48 0.00 -0.02 0.00 0.00 31.44 30.60 2qee n GLU 151 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 2qee h ARG 152 N 0.02 0.46 -0.37 3.49 1.12 -0.24 -2.61 114.38 116.24 2qee h ARG 152 Ca -0.51 -0.03 0.05 0.00 -1.11 0.00 0.00 59.98 58.38 2qee h ARG 152 Cb 1.96 -0.10 -0.04 0.00 -0.01 0.00 0.00 29.97 31.77 2qee h ARG 152 CO -0.01 0.30 0.12 0.97 -3.11 0.00 0.00 179.97 178.24 2qee h ILE 153 N 0.47 0.87 -0.66 1.20 6.09 -1.70 -1.74 117.51 122.04 2qee h ILE 153 Ca 0.41 -0.09 0.02 0.00 -1.37 0.00 0.00 64.86 63.82 2qee h ILE 153 Cb 0.88 0.58 -0.04 0.00 0.47 0.00 0.00 36.82 38.72 2qee h ILE 153 CO -0.15 0.05 0.42 0.28 -3.07 0.00 0.00 178.15 175.68 2qee h SER 154 N 0.26 0.71 -0.05 2.19 0.02 -1.72 0.22 113.55 115.19 2qee h SER 154 Ca 0.17 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.11 2qee h SER 154 Cb 0.16 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 2qee h SER 154 CO -0.19 0.50 0.02 -0.50 -1.14 0.00 0.00 176.83 175.53 2qee h TRP 155 N 0.85 0.07 -0.60 3.45 4.06 -1.52 -0.63 115.95 121.62 2qee h TRP 155 Ca 0.25 -0.00 -0.03 0.00 2.06 0.00 0.00 58.89 61.17 2qee h TRP 155 Cb -0.04 -0.02 -0.03 0.00 -1.00 0.00 0.00 29.16 28.07 2qee h TRP 155 CO -0.04 0.18 0.25 -0.07 -3.56 0.00 0.00 178.44 175.20 2qee h LEU 156 N -0.06 0.78 0.00 -4.49 3.38 -0.90 0.67 115.31 114.69 2qee h LEU 156 Ca 0.02 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2qee h LEU 156 Cb 0.14 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.69 2qee h LEU 156 CO -0.00 0.70 0.00 -0.62 0.09 0.00 0.00 178.44 178.60 2qee n GLU 157 N -4.33 0.57 -1.00 1.13 1.02 0.75 -4.85 120.64 113.93 2qee n GLU 157 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 2qee n GLU 157 Cb 0.16 -1.21 0.00 0.00 -0.02 0.00 0.00 31.44 30.36 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 0.10 0.67 3.73 0.62 0.00 0.23 -4.99 105.19 105.55 2qee n GLY 158 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.03 4.25 0.02 1.61 2.20 -0.27 -5.02 119.74 122.50 2qee s LYS 159 Ca 0.00 2.31 0.05 0.00 -0.36 0.00 0.00 55.97 57.97 2qee s LYS 159 Cb 0.00 -3.14 -0.03 0.00 -1.51 0.00 0.00 37.83 33.15 2qee s LYS 159 CO 0.00 -0.49 -0.12 -0.65 -0.36 0.00 0.00 175.35 173.73 2qee s GLN 160 N 0.26 2.34 0.61 4.03 -1.52 -1.26 -4.49 119.66 119.62 2qee s GLN 160 Ca 0.63 -0.83 -0.18 0.00 -1.95 0.00 0.00 55.36 53.03 2qee s GLN 160 Cb -0.42 -2.35 -0.03 0.00 -0.22 0.00 0.00 33.01 29.99 2qee s GLN 160 CO 0.38 0.58 1.18 -1.25 -0.25 0.00 0.00 175.29 175.93 2qee s PRO 161 N -1.37 2.93 1.07 2.91 0.04 -1.26 -4.98 135.00 134.35 2qee s PRO 161 Ca 0.16 1.74 -0.13 0.00 0.04 0.00 0.00 61.00 62.81 2qee s PRO 161 Cb -0.11 -1.93 0.23 0.00 0.04 0.00 0.00 34.50 32.73 2qee s PRO 161 CO 0.06 -1.22 1.07 0.16 0.04 0.00 0.00 177.00 177.11 2qee s ASP 162 N -1.77 1.90 0.07 6.66 1.47 -1.26 -4.85 116.67 118.89 2qee s ASP 162 Ca 0.75 1.33 0.18 0.00 1.18 0.00 0.00 52.55 55.99 2qee s ASP 162 Cb -0.28 -2.04 0.76 0.00 -0.34 0.00 0.00 42.92 41.02 2qee s ASP 162 CO 0.34 -3.60 1.57 -1.54 0.68 0.00 0.00 175.17 172.62 2qee n SER 163 N -4.50 0.20 0.07 2.11 3.41 -1.26 -1.34 113.62 112.31 2qee n SER 163 Ca 0.04 0.55 0.13 0.00 -0.26 0.00 0.00 58.87 59.33 2qee n SER 163 Cb 0.56 -0.59 0.40 0.00 -0.26 0.00 0.00 64.21 64.32 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 -1.72 0.21 -4.74 4.33 1.74 -1.26 -4.80 116.66 110.43 2qee n ARG 164 Ca 0.03 0.14 -0.33 0.00 -0.77 0.00 0.00 57.85 56.93 2qee n ARG 164 Cb 0.21 -1.72 -0.15 0.00 -1.02 0.00 0.00 32.46 29.78 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 -3.09 2.80 0.10 -1.55 0.08 -0.45 0.08 117.98 115.94 2qee s PHE 165 Ca 0.11 -0.74 0.08 0.00 0.12 0.00 0.00 56.93 56.50 2qee s PHE 165 Cb 0.14 -1.85 -0.04 0.00 -0.57 0.00 0.00 43.02 40.70 2qee s PHE 165 CO 0.61 -0.28 -0.18 -1.01 -0.10 0.00 0.00 175.22 174.27 2qee s HIS 166 N 0.46 2.55 0.26 0.36 3.76 0.13 -4.67 115.29 118.15 2qee s HIS 166 Ca -0.10 -0.25 -0.09 0.00 -0.15 0.00 0.00 55.06 54.46 2qee s HIS 166 Cb -0.16 -1.38 -0.07 0.00 1.11 0.00 0.00 32.58 32.08 2qee s HIS 166 CO 0.05 0.36 0.58 0.00 -0.85 0.00 0.00 174.74 174.88 2qee s ALA 167 N -1.10 3.54 -0.02 -1.40 0.00 -1.26 -0.49 121.76 121.03 2qee s ALA 167 Ca 0.17 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 51.84 2qee s ALA 167 Cb -0.11 -2.46 0.02 0.00 0.00 0.00 0.00 23.12 20.58 2qee s ALA 167 CO 0.09 0.40 0.02 0.00 0.00 0.00 0.00 175.76 176.27 2qee s ALA 168 N -1.93 0.12 -0.55 0.00 0.00 -1.22 -0.59 121.76 117.59 2qee s ALA 168 Ca 0.48 0.23 -0.26 0.00 0.00 0.00 0.00 51.96 52.40 2qee s ALA 168 Cb -0.11 -0.23 0.03 0.00 0.00 0.00 0.00 23.12 22.82 2qee s ALA 168 CO 0.23 -0.08 1.06 -1.17 0.00 0.00 0.00 175.76 175.80 2qee s LEU 169 N 0.90 3.80 -0.14 0.00 2.96 -0.64 -0.48 118.68 125.07 2qee s LEU 169 Ca -0.08 -0.09 -0.29 0.00 -0.22 0.00 0.00 54.13 53.45 2qee s LEU 169 Cb -0.11 -3.03 -0.01 0.00 0.50 0.00 0.00 46.19 43.55 2qee s LEU 169 CO -0.02 -1.33 1.02 -0.60 -1.32 0.00 0.00 176.35 174.10 2qee s ARG 170 N 4.39 4.38 -0.02 1.98 3.52 0.06 -0.97 118.95 132.29 2qee s ARG 170 Ca 0.37 1.39 0.07 0.00 -0.13 0.00 0.00 55.73 57.42 2qee s ARG 170 Cb -0.10 -3.57 0.18 0.00 -1.56 0.00 0.00 34.95 29.90 2qee s ARG 170 CO 0.23 -0.40 1.14 1.28 -0.81 0.00 0.00 175.30 176.74 2qee n LEU 171 N 5.36 2.54 -0.25 -0.88 4.77 0.25 -4.53 117.00 124.26 2qee n LEU 171 Ca 0.10 -2.12 0.06 0.00 -0.03 0.00 0.00 56.01 54.02 2qee n LEU 171 Cb 0.48 -0.16 0.18 0.00 -2.33 0.00 0.00 43.42 41.60 2qee n LEU 171 CO 0.52 0.62 0.94 0.44 -1.33 0.00 0.00 177.39 178.59 2qee h ASP 172 N 1.00 0.04 -0.87 -1.43 5.19 -1.94 0.25 116.42 118.66 2qee h ASP 172 Ca 0.00 0.14 -0.02 0.00 -0.62 0.00 0.00 57.03 56.54 2qee h ASP 172 Cb 0.68 0.19 -0.04 0.00 0.18 0.00 0.00 39.33 40.34 2qee h ASP 172 CO 0.01 -0.02 0.48 -0.65 -3.12 0.00 0.00 179.24 175.94 2qee h PRO 173 N 0.28 1.21 -0.29 3.56 0.11 -1.93 0.30 132.00 135.25 2qee h PRO 173 Ca 0.42 -0.14 -0.14 0.00 0.11 0.00 0.00 66.00 66.25 2qee h PRO 173 Cb 0.70 -0.24 -0.00 0.00 0.11 0.00 0.00 31.00 31.57 2qee h PRO 173 CO -0.50 0.88 -0.38 1.25 -0.21 0.00 0.00 178.00 179.04 2qee h LEU 174 N 1.21 0.83 0.16 2.35 5.85 -1.48 -1.76 115.31 122.47 2qee h LEU 174 Ca 0.31 -0.50 -0.34 0.00 0.84 0.00 0.00 57.88 58.19 2qee h LEU 174 Cb 0.02 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.81 2qee h LEU 174 CO -0.05 1.17 -1.72 -0.07 -0.34 0.00 0.00 178.44 177.42 2qee h LEU 175 N 0.52 0.54 0.00 2.25 4.07 -0.72 -3.34 115.31 118.62 2qee h LEU 175 Ca 0.03 -0.82 -0.02 0.00 0.08 0.00 0.00 57.88 57.16 2qee h LEU 175 Cb 0.97 -0.17 -0.00 0.00 1.08 0.00 0.00 40.66 42.53 2qee h LEU 175 CO 0.09 1.70 -1.88 0.59 -1.08 0.00 0.00 178.44 177.85 2qee n ASN 176 N -3.54 0.12 -2.53 -0.43 3.02 0.10 -3.54 115.26 108.46 2qee n ASN 176 Ca -0.23 0.05 -0.11 0.00 -0.03 0.00 0.00 54.58 54.25 2qee n ASN 176 Cb 1.07 1.74 0.03 0.00 -0.61 0.00 0.00 39.78 42.01 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 -2.34 2.38 -0.20 3.52 1.02 -0.67 -4.94 120.64 119.41 2qee n GLU 177 Ca -0.05 -3.77 -0.08 0.00 -0.02 0.00 0.00 57.16 53.25 2qee n GLU 177 Cb 0.59 -1.82 0.02 0.00 -0.02 0.00 0.00 31.44 30.21 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 2.53 0.88 -0.82 -0.32 3.20 -1.67 -0.69 116.97 120.08 2qee h TYR 178 Ca 0.06 -0.07 0.15 0.00 3.14 0.00 0.00 58.73 62.00 2qee h TYR 178 Cb 1.31 -0.26 -0.06 0.00 1.54 0.00 0.00 36.73 39.26 2qee h TYR 178 CO 0.64 0.72 0.54 0.93 -1.64 0.00 0.00 178.16 179.35 2qee h GLU 179 N 0.79 0.54 0.06 1.82 4.39 -1.91 0.32 114.58 120.59 2qee h GLU 179 Ca 0.19 -0.03 -0.28 0.00 0.34 0.00 0.00 59.36 59.58 2qee h GLU 179 Cb 0.22 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.73 2qee h GLU 179 CO -0.01 0.36 -1.45 1.96 -1.16 0.00 0.00 179.01 178.71 2qee h GLN 180 N 0.56 0.13 0.01 2.33 7.50 -1.79 -3.39 115.11 120.46 2qee h GLN 180 Ca 0.41 -0.22 -0.26 0.00 0.50 0.00 0.00 58.65 59.08 2qee h GLN 180 Cb 0.78 0.08 -0.04 0.00 0.05 0.00 0.00 27.48 28.36 2qee h GLN 180 CO -0.16 0.95 -1.38 1.15 -1.50 0.00 0.00 178.83 177.89 2qee h THR 181 N 0.04 1.26 -0.42 -0.54 2.02 0.30 -3.32 112.91 112.25 2qee h THR 181 Ca -0.20 -3.03 0.12 0.00 0.77 0.00 0.00 66.41 64.07 2qee h THR 181 Cb 1.95 2.64 -0.02 0.00 -1.74 0.00 0.00 68.15 70.99 2qee h THR 181 CO 0.13 0.74 0.30 0.07 0.37 0.00 0.00 175.52 177.14 2qee h LYS 182 N 0.01 0.00 -0.22 6.66 2.10 -0.62 0.65 116.57 125.15 2qee h LYS 182 Ca -0.16 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.36 2qee h LYS 182 Cb 1.91 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 33.23 2qee h LYS 182 CO 0.11 0.00 -0.42 0.45 -2.00 0.00 0.00 179.45 177.59 2qee h HIS 183 N 0.00 0.62 -0.43 0.07 3.86 -1.80 -2.22 115.15 115.24 2qee h HIS 183 Ca 0.20 -0.18 -0.05 0.00 -1.16 0.00 0.00 60.37 59.17 2qee h HIS 183 Cb 0.81 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 29.13 2qee h HIS 183 CO 0.00 0.85 0.06 0.00 0.86 0.00 0.00 177.93 179.70 2qee h ARG 184 N 0.42 0.72 -0.60 2.45 3.08 -1.07 -2.36 114.38 117.03 2qee h ARG 184 Ca 0.03 -0.20 0.09 0.00 0.07 0.00 0.00 59.98 59.97 2qee h ARG 184 Cb 0.91 -0.08 -0.07 0.00 0.08 0.00 0.00 29.97 30.81 2qee h ARG 184 CO 0.08 0.76 0.23 -0.07 -1.07 0.00 0.00 179.97 179.91 2qee h LEU 185 N 0.58 0.25 -0.01 3.04 3.38 -1.27 -1.40 115.31 119.87 2qee h LEU 185 Ca 0.13 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.19 2qee h LEU 185 Cb 0.40 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2qee h LEU 185 CO 0.01 0.15 -0.07 0.03 0.09 0.00 0.00 178.44 178.65 2qee h ARG 186 N 0.42 -0.11 -0.44 1.13 3.08 -1.25 0.27 114.38 117.49 2qee h ARG 186 Ca 0.30 0.01 0.13 0.00 0.07 0.00 0.00 59.98 60.48 2qee h ARG 186 Cb 0.35 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 2qee h ARG 186 CO -0.29 -0.08 0.32 0.22 -1.07 0.00 0.00 179.97 179.08 2qee h ASP 187 N -0.12 0.00 -0.23 7.04 -0.00 -1.07 0.27 116.42 122.31 2qee h ASP 187 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.06 2qee h ASP 187 Cb 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.49 2qee h ASP 187 CO -0.08 0.00 0.00 0.79 -0.00 0.00 0.00 179.24 179.95 2qee n TRP 188 N -4.35 0.30 -0.51 0.28 8.01 -0.33 -4.90 117.44 115.94 2qee n TRP 188 Ca 0.08 -0.15 0.00 0.00 -1.31 0.00 0.00 57.50 56.11 2qee n TRP 188 Cb 0.52 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.82 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 1.07 0.75 3.53 6.99 0.00 0.93 -5.02 105.19 113.44 2qee n GLY 189 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.55 2.68 -1.35 1.61 2.02 0.80 -4.95 117.35 115.61 2qee s TYR 190 Ca 0.00 0.02 -0.12 0.00 -0.37 0.00 0.00 57.07 56.60 2qee s TYR 190 Cb 0.00 -4.26 -0.05 0.00 -0.40 0.00 0.00 41.96 37.24 2qee s TYR 190 CO 0.00 -1.52 2.49 1.63 -1.57 0.00 0.00 175.55 176.58 2qee n LYS 191 N 7.92 2.92 -2.81 -0.62 4.76 -1.26 -3.08 118.16 125.99 2qee n LYS 191 Ca 0.03 -2.14 -0.41 0.00 -2.87 0.00 0.00 58.31 52.92 2qee n LYS 191 Cb 0.48 -2.89 -0.04 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 3.00 4.65 0.54 -0.18 -7.23 -1.26 -4.55 120.40 115.37 2qee s VAL 192 Ca 0.56 1.91 -0.03 0.00 -1.81 0.00 0.00 61.98 62.62 2qee s VAL 192 Cb 0.15 -4.25 0.01 0.00 0.56 0.00 0.00 36.38 32.85 2qee s VAL 192 CO -0.04 0.30 0.81 0.20 -0.31 0.00 0.00 175.10 176.06 2qee s ASN 193 N 0.18 5.60 0.21 4.85 0.02 -1.26 -4.97 114.94 119.57 2qee s ASN 193 Ca 0.45 0.47 -0.10 0.00 -1.02 0.00 0.00 52.86 52.66 2qee s ASN 193 Cb -0.22 -1.52 0.15 0.00 0.02 0.00 0.00 41.25 39.68 2qee s ASN 193 CO 0.27 -0.97 1.85 0.44 0.02 0.00 0.00 177.10 178.70 2qee h ASP 194 N 0.03 0.91 -3.62 -1.22 3.32 -2.03 -3.42 116.42 110.39 2qee h ASP 194 Ca -0.45 -0.07 -0.51 0.00 0.02 0.00 0.00 57.03 56.02 2qee h ASP 194 Cb 1.26 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 40.56 2qee h ASP 194 CO 0.59 0.71 0.17 -1.61 -1.72 0.00 0.00 179.24 177.38 2qee s GLU 195 N -5.97 4.40 -1.01 3.56 8.01 -1.26 -4.98 118.70 121.46 2qee s GLU 195 Ca -0.13 1.04 -0.24 0.00 0.01 0.00 0.00 54.97 55.65 2qee s GLU 195 Cb 0.15 -2.96 -0.04 0.00 -4.31 0.00 0.00 34.13 26.97 2qee s GLU 195 CO 0.79 0.42 1.86 -0.46 0.01 0.00 0.00 175.26 177.88 2qee s TRP 196 N -1.44 2.00 0.20 1.61 -0.11 -1.26 -4.65 118.94 115.28 2qee s TRP 196 Ca 0.42 0.26 0.01 0.00 1.22 0.00 0.00 56.10 58.01 2qee s TRP 196 Cb -0.19 -4.17 -0.00 0.00 -1.50 0.00 0.00 33.47 27.61 2qee s TRP 196 CO 0.23 -1.65 0.03 0.27 -4.62 0.00 0.00 176.95 171.21 2qee n ASN 197 N 13.05 1.98 -0.09 5.86 0.23 -1.26 -4.98 115.26 130.05 2qee n ASN 197 Ca 0.41 -1.94 0.05 0.00 -0.53 0.00 0.00 54.58 52.57 2qee n ASN 197 Cb 0.47 0.27 0.38 0.00 -2.08 0.00 0.00 39.78 38.83 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 0.65 -0.23 -3.83 4.57 -1.99 -0.46 114.58 113.29 2qee h GLU 198 Ca -0.16 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 57.97 2qee h GLU 198 Cb 0.53 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.97 2qee h GLU 198 CO 0.26 0.43 0.11 0.78 -1.18 0.00 0.00 179.01 179.42 2qee h GLY 199 N 0.67 0.35 0.91 1.92 0.00 -1.93 0.11 103.07 105.10 2qee h GLY 199 Ca 0.23 -0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.36 2qee h GLY 199 CO -0.06 0.17 0.11 1.76 0.00 0.00 0.00 176.54 178.51 2qee h SER 200 N 0.24 0.40 -0.32 0.19 0.02 -1.57 -1.90 113.55 110.61 2qee h SER 200 Ca 0.08 -0.18 0.05 0.00 -0.84 0.00 0.00 61.79 60.90 2qee h SER 200 Cb 0.12 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 62.50 2qee h SER 200 CO -0.01 0.47 0.04 0.40 -1.14 0.00 0.00 176.83 176.59 2qee h ILE 201 N 0.31 0.81 -0.21 3.27 2.04 -0.94 -1.05 117.51 121.75 2qee h ILE 201 Ca 0.09 -0.05 -0.10 0.00 1.00 0.00 0.00 64.86 65.81 2qee h ILE 201 Cb 0.20 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 2qee h ILE 201 CO -0.01 0.03 -0.29 1.56 0.00 0.00 0.00 178.15 179.44 2qee h GLN 202 N 0.14 0.40 0.05 2.37 1.08 -0.63 -2.19 115.11 116.32 2qee h GLN 202 Ca 0.15 -0.16 -0.23 0.00 -1.45 0.00 0.00 58.65 56.97 2qee h GLN 202 Cb 0.18 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.58 2qee h GLN 202 CO -0.22 0.65 -1.04 0.93 -0.95 0.00 0.00 178.83 178.20 2qee h GLU 203 N 0.35 0.16 -0.58 1.46 4.39 -1.00 -1.29 114.58 118.07 2qee h GLU 203 Ca 0.05 -0.23 -0.05 0.00 0.34 0.00 0.00 59.36 59.47 2qee h GLU 203 Cb 0.69 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.39 2qee h GLU 203 CO 0.05 1.06 0.17 0.28 -1.16 0.00 0.00 179.01 179.41 2qee h VAL 204 N 0.06 1.24 -0.55 3.13 2.07 -1.11 -0.72 116.25 120.38 2qee h VAL 204 Ca -0.06 -0.85 -0.03 0.00 0.82 0.00 0.00 66.70 66.58 2qee h VAL 204 Cb 1.75 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 32.17 2qee h VAL 204 CO 0.16 0.32 0.21 0.11 0.02 0.00 0.00 177.57 178.39 2qee h LYS 205 N 0.83 0.79 -0.30 1.57 1.57 -1.32 -1.56 116.57 118.16 2qee h LYS 205 Ca 0.19 -0.12 -0.13 0.00 -1.87 0.00 0.00 60.65 58.71 2qee h LYS 205 Cb 0.31 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 2qee h LYS 205 CO -0.00 0.66 -0.36 -0.09 -0.57 0.00 0.00 179.45 179.08 2qee h ARG 206 N 0.78 0.67 -0.21 3.15 2.43 -0.95 0.12 114.38 120.37 2qee h ARG 206 Ca 0.19 -0.33 0.02 0.00 -0.81 0.00 0.00 59.98 59.05 2qee h ARG 206 Cb 0.16 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 2qee h ARG 206 CO -0.02 0.93 0.06 0.35 -1.51 0.00 0.00 179.97 179.78 2qee h PHE 207 N 0.56 0.11 -0.09 2.20 3.57 -0.51 0.38 116.94 123.16 2qee h PHE 207 Ca 0.06 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 2qee h PHE 207 Cb 0.88 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.60 2qee h PHE 207 CO 0.04 0.05 0.05 -0.07 -2.23 0.00 0.00 178.31 176.15 2qee h LEU 208 N 0.16 0.11 -0.95 0.59 3.38 -0.96 -2.11 115.31 115.52 2qee h LEU 208 Ca 0.09 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2qee h LEU 208 Cb 0.07 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 2qee h LEU 208 CO -0.10 0.11 0.53 0.74 0.09 0.00 0.00 178.44 179.81 2qee h THR 209 N 0.09 1.26 -0.66 0.22 2.02 -0.54 0.15 112.91 115.46 2qee h THR 209 Ca 0.03 -0.60 -0.03 0.00 0.77 0.00 0.00 66.41 66.59 2qee h THR 209 Cb 0.03 -0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 66.39 2qee h THR 209 CO -0.01 0.28 0.30 0.44 0.37 0.00 0.00 175.52 176.90 2qee h ASP 210 N 1.28 0.88 0.57 4.18 3.32 -0.70 0.15 116.42 126.10 2qee h ASP 210 Ca 0.33 -0.15 -0.15 0.00 0.02 0.00 0.00 57.03 57.08 2qee h ASP 210 Cb -0.02 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 2qee h ASP 210 CO -0.06 0.79 -0.70 -0.50 -1.72 0.00 0.00 179.24 177.05 2qee h TRP 211 N 0.92 0.15 -0.65 4.55 4.06 -1.02 -1.03 115.95 122.93 2qee h TRP 211 Ca 0.22 -0.07 -0.05 0.00 2.06 0.00 0.00 58.89 61.06 2qee h TRP 211 Cb 0.15 -0.02 -0.03 0.00 -1.00 0.00 0.00 29.16 28.26 2qee h TRP 211 CO 0.01 0.77 0.22 0.82 -3.56 0.00 0.00 178.44 176.70 2qee h ILE 212 N 0.07 1.25 -0.65 1.49 2.04 -0.38 -0.21 117.51 121.12 2qee h ILE 212 Ca -0.01 -0.83 -0.02 0.00 1.00 0.00 0.00 64.86 64.99 2qee h ILE 212 Cb 1.24 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 37.84 2qee h ILE 212 CO 0.10 0.32 0.32 -0.33 0.00 0.00 0.00 178.15 178.57 2qee h GLU 213 N 0.94 0.93 -0.16 2.37 5.08 -0.77 -0.68 114.58 122.30 2qee h GLU 213 Ca 0.21 -0.13 -0.17 0.00 -1.00 0.00 0.00 59.36 58.27 2qee h GLU 213 Cb 0.28 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.36 2qee h GLU 213 CO -0.01 0.73 -0.55 -0.09 -1.00 0.00 0.00 179.01 178.09 2qee h ARG 214 N 0.90 0.66 0.00 2.33 2.43 -0.99 -3.36 114.38 116.34 2qee h ARG 214 Ca 0.22 -0.49 -0.12 0.00 -0.81 0.00 0.00 59.98 58.78 2qee h ARG 214 Cb 0.10 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 2qee h ARG 214 CO -0.03 1.11 -1.97 -1.33 -1.51 0.00 0.00 179.97 176.24 2qee n MET 215 N -4.14 0.66 -3.72 0.20 2.81 -0.11 -5.00 117.12 107.83 2qee n MET 215 Ca -0.07 -0.08 -0.22 0.00 -1.81 0.00 0.00 57.70 55.52 2qee n MET 215 Cb 0.63 -1.57 0.03 0.00 -0.71 0.00 0.00 33.22 31.59 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 -2.49 -1.27 -4.76 7.83 2.03 -0.26 -4.55 116.55 113.07 2qee n ASP 216 Ca -0.12 -0.85 -0.38 0.00 0.52 0.00 0.00 54.79 53.96 2qee n ASP 216 Cb 0.76 -3.93 0.00 0.00 -0.72 0.00 0.00 41.12 37.23 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 -6.02 3.66 0.40 -0.67 0.04 -1.26 -4.63 135.00 126.53 2qee s PRO 217 Ca 0.03 2.01 0.22 0.00 0.04 0.00 0.00 61.00 63.29 2qee s PRO 217 Cb -0.01 -2.48 0.52 0.00 0.04 0.00 0.00 34.50 32.57 2qee s PRO 217 CO 0.82 -0.70 1.65 -0.39 0.04 0.00 0.00 177.00 178.43 2qee h VAL 218 N 1.94 0.42 -2.99 -0.36 -1.51 -1.20 -3.47 116.25 109.08 2qee h VAL 218 Ca -0.50 -1.37 0.06 0.00 -1.23 0.00 0.00 66.70 63.67 2qee h VAL 218 Cb 1.26 2.02 -0.06 0.00 -2.13 0.00 0.00 31.29 32.39 2qee h VAL 218 CO 0.60 0.21 0.23 -0.72 -1.23 0.00 0.00 177.57 176.67 2qee s TYR 219 N -3.29 -0.22 -0.08 5.19 -0.85 -1.26 -4.24 117.35 112.59 2qee s TYR 219 Ca 0.04 -0.21 -0.01 0.00 -0.52 0.00 0.00 57.07 56.37 2qee s TYR 219 Cb 0.08 0.70 -0.03 0.00 0.38 0.00 0.00 41.96 43.08 2qee s TYR 219 CO 0.67 -1.20 -0.04 -1.64 -1.52 0.00 0.00 175.55 171.82 2qee s MET 220 N -3.90 2.91 0.12 -3.49 -1.94 -0.86 -1.62 119.30 110.52 2qee s MET 220 Ca 0.10 -0.50 0.06 0.00 -1.71 0.00 0.00 55.69 53.65 2qee s MET 220 Cb -0.05 -2.69 -0.04 0.00 2.01 0.00 0.00 34.83 34.06 2qee s MET 220 CO 0.05 0.64 -0.15 0.00 -0.01 0.00 0.00 175.02 175.55 2qee s ALA 221 N -0.73 1.52 -0.07 3.03 0.00 -0.14 0.25 121.76 125.62 2qee s ALA 221 Ca 0.11 -1.26 -0.15 0.00 0.00 0.00 0.00 51.96 50.66 2qee s ALA 221 Cb -0.11 -0.10 0.03 0.00 0.00 0.00 0.00 23.12 22.93 2qee s ALA 221 CO 0.02 0.15 0.35 0.54 0.00 0.00 0.00 175.76 176.82 2qee s VAL 222 N -1.91 0.03 -0.11 0.00 0.11 -0.50 -0.59 120.40 117.44 2qee s VAL 222 Ca 0.08 -0.26 -0.05 0.00 -2.93 0.00 0.00 61.98 58.82 2qee s VAL 222 Cb -0.06 -0.59 -0.04 0.00 -1.53 0.00 0.00 36.38 34.16 2qee s VAL 222 CO 0.03 -0.14 0.09 -0.94 -3.33 0.00 0.00 175.10 170.81 2qee s SER 223 N -0.68 5.95 0.07 3.54 1.04 -1.26 -0.87 113.70 121.49 2qee s SER 223 Ca -0.08 0.34 0.04 0.00 0.48 0.00 0.00 55.95 56.74 2qee s SER 223 Cb -0.04 -1.84 -0.03 0.00 0.10 0.00 0.00 66.02 64.21 2qee s SER 223 CO 0.03 0.40 -0.13 -0.76 0.98 0.00 0.00 173.24 173.76 2qee s LEU 224 N -0.99 2.30 0.75 2.42 1.43 0.46 -4.94 118.68 120.12 2qee s LEU 224 Ca 0.14 -0.64 -0.12 0.00 -1.03 0.00 0.00 54.13 52.49 2qee s LEU 224 Cb -0.12 -0.43 0.05 0.00 0.03 0.00 0.00 46.19 45.72 2qee s LEU 224 CO 0.04 -0.13 1.13 -2.16 0.23 0.00 0.00 176.35 175.46 2qee s PRO 225 N -1.91 2.41 0.59 1.29 0.04 -1.26 -0.20 135.00 135.97 2qee s PRO 225 Ca -0.02 0.27 0.30 0.00 0.04 0.00 0.00 61.00 61.59 2qee s PRO 225 Cb -0.09 -1.99 1.83 0.00 0.04 0.00 0.00 34.50 34.28 2qee s PRO 225 CO 0.02 -1.31 2.24 -1.35 0.04 0.00 0.00 177.00 176.64 2qee h PRO 226 N -0.84 0.00 -0.04 0.56 0.11 -1.77 -1.54 132.00 128.48 2qee h PRO 226 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2qee h PRO 226 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 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 -3.82 0.05 -1.66 -1.15 -2.24 -1.26 -4.01 114.28 100.19 2qee n THR 227 Ca -0.02 -0.08 -0.49 0.00 -2.27 0.00 0.00 64.05 61.19 2qee n THR 227 Cb 0.11 -0.14 -0.05 0.00 -2.10 0.00 0.00 70.33 68.15 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 -0.54 2.12 -4.23 4.78 7.35 -0.58 -4.97 117.46 121.38 2qee n PHE 228 Ca 0.14 0.30 -0.18 0.00 -0.76 0.00 0.00 57.45 56.95 2qee n PHE 228 Cb 0.12 -2.52 -0.12 0.00 0.35 0.00 0.00 39.48 37.30 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 1.78 1.56 -0.24 -2.13 1.04 -1.26 -4.69 113.70 109.77 2qee s SER 229 Ca 0.85 -0.53 -0.15 0.00 0.48 0.00 0.00 55.95 56.59 2qee s SER 229 Cb -0.77 -0.06 0.07 0.00 0.10 0.00 0.00 66.02 65.36 2qee s SER 229 CO 0.45 -0.04 0.59 0.12 0.98 0.00 0.00 173.24 175.34 2qee s PHE 230 N -1.08 -0.85 0.82 5.02 2.19 -1.26 -4.47 117.98 118.34 2qee s PHE 230 Ca -0.01 1.79 -0.11 0.00 0.33 0.00 0.00 56.93 58.93 2qee s PHE 230 Cb -0.09 0.45 0.09 0.00 -1.31 0.00 0.00 43.02 42.16 2qee s PHE 230 CO 0.02 -0.43 1.12 -2.14 1.83 0.00 0.00 175.22 175.61 2qee s PRO 231 N 1.31 1.78 -0.17 10.12 0.02 -1.26 -4.24 135.00 142.55 2qee s PRO 231 Ca -0.08 1.37 -0.12 0.00 0.02 0.00 0.00 61.00 62.19 2qee s PRO 231 Cb -0.06 -1.83 0.05 0.00 0.02 0.00 0.00 34.50 32.68 2qee s PRO 231 CO -0.14 -2.03 0.43 -2.00 -0.33 0.00 0.00 177.00 172.92 2qee s GLU 232 N -4.70 0.45 -1.16 5.54 2.12 -1.26 -5.07 118.70 114.63 2qee s GLU 232 Ca 0.64 0.70 -0.20 0.00 0.36 0.00 0.00 54.97 56.47 2qee s GLU 232 Cb -0.20 0.11 0.06 0.00 0.26 0.00 0.00 34.13 34.37 2qee s GLU 232 CO 0.55 -0.11 1.58 -1.21 -0.54 0.00 0.00 175.26 175.54 2qee s GLU 233 N 0.82 3.79 0.22 4.30 0.41 -1.26 -3.95 118.70 123.03 2qee s GLU 233 Ca -0.05 -1.59 -0.15 0.00 -0.41 0.00 0.00 54.97 52.77 2qee s GLU 233 Cb -0.06 -5.43 0.01 0.00 -1.78 0.00 0.00 34.13 26.87 2qee s GLU 233 CO -0.06 -2.21 0.50 -1.54 -0.49 0.00 0.00 175.26 171.45 2qee s SER 234 N 4.54 -0.15 0.18 -0.19 1.04 -1.26 -5.00 113.70 112.86 2qee s SER 234 Ca 0.49 -0.74 -0.13 0.00 0.48 0.00 0.00 55.95 56.05 2qee s SER 234 Cb 0.02 0.58 0.11 0.00 0.10 0.00 0.00 66.02 66.83 2qee s SER 234 CO -0.01 -1.11 1.82 0.78 0.98 0.00 0.00 173.24 175.70 2qee h ASN 235 N 2.24 0.53 -0.38 7.02 2.35 -1.90 -1.12 115.58 124.32 2qee h ASN 235 Ca -0.27 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.51 2qee h ASN 235 Cb 1.25 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 39.49 2qee h ASN 235 CO 0.36 0.37 0.21 -0.09 -1.65 0.00 0.00 177.43 176.63 2qee h ARG 236 N 0.64 0.41 -0.94 0.81 2.43 -1.91 0.98 114.38 116.80 2qee h ARG 236 Ca 0.22 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.36 2qee h ARG 236 Cb 0.03 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.44 2qee h ARG 236 CO -0.10 0.27 0.55 0.78 -1.51 0.00 0.00 179.97 179.97 2qee h GLY 237 N 0.42 1.37 1.22 2.80 0.00 -1.64 -0.58 103.07 106.66 2qee h GLY 237 Ca 0.15 -0.58 -0.30 0.00 0.00 0.00 0.00 47.33 46.61 2qee h GLY 237 CO -0.09 0.56 -1.22 3.21 0.00 0.00 0.00 176.54 179.00 2qee h ARG 238 N 1.30 0.64 -0.48 4.80 3.08 -0.68 -2.28 114.38 120.76 2qee h ARG 238 Ca 0.33 -0.83 -0.01 0.00 0.07 0.00 0.00 59.98 59.54 2qee h ARG 238 Cb -0.04 0.27 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 2qee h ARG 238 CO -0.06 1.38 0.27 0.82 -1.07 0.00 0.00 179.97 181.30 2qee h ILE 239 N 0.29 1.17 -0.00 2.04 2.04 -0.74 0.97 117.51 123.28 2qee h ILE 239 Ca -0.18 -0.42 -0.00 0.00 1.00 0.00 0.00 64.86 65.25 2qee h ILE 239 Cb 1.89 0.57 -0.00 0.00 -0.74 0.00 0.00 36.82 38.54 2qee h ILE 239 CO 0.24 0.18 0.00 0.40 0.00 0.00 0.00 178.15 178.96 2qee h ILE 240 N 0.64 1.04 0.01 -0.67 2.04 -1.16 0.09 117.51 119.50 2qee h ILE 240 Ca 0.17 -0.11 -0.00 0.00 1.00 0.00 0.00 64.86 65.92 2qee h ILE 240 Cb 0.05 1.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.24 2qee h ILE 240 CO -0.03 0.03 -0.00 -0.09 0.00 0.00 0.00 178.15 178.06 2qee h ARG 241 N -0.04 -0.01 0.00 2.37 2.43 -1.28 -1.57 114.38 116.28 2qee h ARG 241 Ca 0.00 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.02 2qee h ARG 241 Cb 0.05 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.57 2qee h ARG 241 CO -0.00 0.06 -1.66 -0.25 -1.51 0.00 0.00 179.97 176.61 2qee n ASP 242 N -5.06 0.54 0.02 -3.80 8.00 0.32 -4.50 116.55 112.07 2qee n ASP 242 Ca -0.07 0.23 -0.02 0.00 0.71 0.00 0.00 54.79 55.64 2qee n ASP 242 Cb 0.07 0.70 -0.01 0.00 -0.02 0.00 0.00 41.12 41.86 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 -0.15 -0.04 0.10 0.00 6.46 -0.98 -2.03 115.31 118.67 2qee h LEU 244 Ca -0.03 -0.33 -0.00 0.00 -0.12 0.00 0.00 57.88 57.40 2qee h LEU 244 Cb 0.40 0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.34 2qee h LEU 244 CO -0.02 0.31 -0.05 -0.07 -0.62 0.00 0.00 178.44 178.00 2qee h LEU 245 N -0.39 -0.11 -0.79 2.25 3.38 -1.53 0.21 115.31 118.33 2qee h LEU 245 Ca -0.00 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 57.98 2qee h LEU 245 Cb 0.36 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 2qee h LEU 245 CO 0.01 -0.06 0.50 -0.65 0.09 0.00 0.00 178.44 178.33 2qee h PRO 246 N -0.16 0.94 -0.47 1.13 0.11 -1.79 -0.15 132.00 131.62 2qee h PRO 246 Ca -0.01 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.03 2qee h PRO 246 Cb 0.12 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.00 2qee h PRO 246 CO 0.02 0.62 0.26 0.28 -0.21 0.00 0.00 178.00 178.97 2qee h VAL 247 N 0.97 1.17 -0.89 3.15 2.07 -1.08 -1.87 116.25 119.76 2qee h VAL 247 Ca 0.32 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 2qee h VAL 247 Cb 0.03 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.35 2qee h VAL 247 CO -0.12 0.18 0.49 0.00 0.02 0.00 0.00 177.57 178.13 2qee h ALA 248 N 1.10 1.15 0.06 1.67 0.00 -0.14 -1.71 119.26 121.39 2qee h ALA 248 Ca 0.17 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2qee h ALA 248 Cb 0.05 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.48 2qee h ALA 248 CO -0.03 0.66 -0.03 1.49 0.00 0.00 0.00 179.25 181.34 2qee h GLU 249 N 1.25 -0.08 -0.91 0.00 4.81 -0.88 0.29 114.58 119.06 2qee h GLU 249 Ca 0.31 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.63 2qee h GLU 249 Cb 0.03 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.36 2qee h GLU 249 CO -0.05 0.20 0.56 -0.22 -0.73 0.00 0.00 179.01 178.77 2qee h LYS 250 N -0.37 0.93 -0.01 1.92 3.64 -1.25 -2.06 116.57 119.38 2qee h LYS 250 Ca -0.01 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2qee h LYS 250 Cb 0.32 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 2qee h LYS 250 CO 0.01 0.62 -0.23 0.72 -2.27 0.00 0.00 179.45 178.30 2qee n HIS 251 N -4.63 0.00 -3.18 1.91 8.25 -0.65 -4.95 115.22 111.97 2qee n HIS 251 Ca 0.15 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.38 2qee n HIS 251 Cb 0.24 -0.16 0.05 0.00 1.12 0.00 0.00 29.99 31.25 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 -0.81 -6.20 -4.72 0.41 4.05 0.75 -4.99 115.26 103.74 2qee n ASN 252 Ca 0.12 -0.36 -0.35 0.00 0.45 0.00 0.00 54.58 54.44 2qee n ASN 252 Cb 0.33 -4.96 -0.08 0.00 1.23 0.00 0.00 39.78 36.30 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 -3.22 5.23 0.75 -1.44 -1.09 0.27 -4.83 121.20 116.87 2qee s ILE 253 Ca 0.38 0.12 -0.13 0.00 -2.23 0.00 0.00 60.65 58.80 2qee s ILE 253 Cb -0.17 -3.37 0.05 0.00 -1.58 0.00 0.00 42.46 37.39 2qee s ILE 253 CO 0.47 0.47 1.13 -2.84 -1.23 0.00 0.00 174.94 172.95 2qee s PRO 254 N 0.19 2.21 -0.27 2.79 0.02 -1.26 -4.56 135.00 134.12 2qee s PRO 254 Ca 0.08 1.45 -0.08 0.00 0.02 0.00 0.00 61.00 62.47 2qee s PRO 254 Cb -0.11 -1.87 -0.02 0.00 0.02 0.00 0.00 34.50 32.52 2qee s PRO 254 CO -0.01 -1.72 0.09 0.12 -0.33 0.00 0.00 177.00 175.15 2qee s PHE 255 N -2.45 3.12 -0.18 6.54 5.36 0.04 -2.02 117.98 128.38 2qee s PHE 255 Ca 0.67 -0.59 -0.14 0.00 -0.96 0.00 0.00 56.93 55.91 2qee s PHE 255 Cb -0.22 -2.26 -0.04 0.00 -0.34 0.00 0.00 43.02 40.15 2qee s PHE 255 CO 0.49 -0.43 0.32 0.00 -1.46 0.00 0.00 175.22 174.14 2qee s ALA 256 N 1.59 3.58 -0.18 11.12 0.00 0.14 -0.79 121.76 137.21 2qee s ALA 256 Ca 0.05 -0.52 0.01 0.00 0.00 0.00 0.00 51.96 51.50 2qee s ALA 256 Cb -0.16 -2.48 0.02 0.00 0.00 0.00 0.00 23.12 20.50 2qee s ALA 256 CO 0.04 -0.09 -0.20 -1.64 0.00 0.00 0.00 175.76 173.87 2qee s MET 257 N 0.85 2.99 -0.35 0.00 -1.94 0.93 -1.41 119.30 120.37 2qee s MET 257 Ca 0.17 -0.83 -0.05 0.00 -1.71 0.00 0.00 55.69 53.27 2qee s MET 257 Cb -0.14 -2.56 0.06 0.00 2.01 0.00 0.00 34.83 34.20 2qee s MET 257 CO 0.06 -0.19 0.12 -1.64 -0.01 0.00 0.00 175.02 173.35 2qee s MET 258 N 1.25 2.42 -0.11 2.03 -1.94 -0.05 -2.31 119.30 120.60 2qee s MET 258 Ca 0.04 -1.38 -0.00 0.00 -1.71 0.00 0.00 55.69 52.63 2qee s MET 258 Cb -0.13 -3.45 -0.02 0.00 2.01 0.00 0.00 34.83 33.24 2qee s MET 258 CO -0.12 -0.78 -0.09 0.42 -0.01 0.00 0.00 175.02 174.44 2qee s ILE 259 N 1.30 3.44 0.00 2.53 1.01 -0.31 -0.40 121.20 128.77 2qee s ILE 259 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 60.65 60.11 2qee s ILE 259 Cb -0.21 -2.44 0.00 0.00 0.01 0.00 0.00 42.46 39.82 2qee s ILE 259 CO -0.00 0.55 0.00 0.61 0.00 0.00 0.00 174.94 176.10 2qee n GLY 260 N 3.02 0.62 3.70 6.18 0.00 0.72 -0.74 105.19 118.70 2qee n GLY 260 Ca -0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.51 5.03 -0.40 1.61 0.11 -1.06 -1.77 120.40 122.42 2qee s VAL 261 Ca 0.00 1.41 -0.12 0.00 -2.93 0.00 0.00 61.98 60.34 2qee s VAL 261 Cb 0.00 -4.03 0.04 0.00 -1.53 0.00 0.00 36.38 30.86 2qee s VAL 261 CO 0.00 0.21 0.25 -0.75 -3.33 0.00 0.00 175.10 171.48 2qee s LYS 262 N 1.09 2.82 0.35 1.54 2.20 -0.13 -4.03 119.74 123.58 2qee s LYS 262 Ca 0.36 -1.15 -0.27 0.00 -0.36 0.00 0.00 55.97 54.55 2qee s LYS 262 Cb -0.17 -3.82 -0.09 0.00 -1.51 0.00 0.00 37.83 32.24 2qee s LYS 262 CO 0.16 -0.78 1.14 0.15 -0.36 0.00 0.00 175.35 175.67 2qee s LYS 263 N 1.56 4.29 -1.40 4.03 -0.14 -1.26 -0.73 119.74 126.09 2qee s LYS 263 Ca 0.03 1.82 -0.02 0.00 -1.36 0.00 0.00 55.97 56.44 2qee s LYS 263 Cb -0.20 -2.86 0.01 0.00 -1.68 0.00 0.00 37.83 33.10 2qee s LYS 263 CO 0.07 -0.11 0.55 0.54 -0.76 0.00 0.00 175.35 175.63 2qee n ARG 264 N 0.48 -3.90 0.23 1.68 1.74 -1.21 -4.86 116.66 110.82 2qee n ARG 264 Ca 0.02 0.48 0.10 0.00 -0.77 0.00 0.00 57.85 57.68 2qee n ARG 264 Cb 0.46 -4.80 0.55 0.00 -1.02 0.00 0.00 32.46 27.64 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 -1.84 0.62 -2.94 1.55 -1.51 -1.14 -3.33 116.25 107.65 2qee h VAL 265 Ca -0.62 -0.94 -0.61 0.00 -1.23 0.00 0.00 66.70 63.30 2qee h VAL 265 Cb 1.37 1.61 -0.40 0.00 -2.13 0.00 0.00 31.29 31.74 2qee h VAL 265 CO 0.62 0.20 -0.73 -2.28 -1.23 0.00 0.00 177.57 174.15 2qee s HIS 266 N -3.88 2.34 0.38 5.19 5.65 -0.96 -5.03 115.29 118.99 2qee s HIS 266 Ca -0.01 -2.71 0.07 0.00 0.25 0.00 0.00 55.06 52.66 2qee s HIS 266 Cb 0.12 -2.02 0.81 0.00 -1.18 0.00 0.00 32.58 30.31 2qee s HIS 266 CO 0.62 -0.73 1.99 -1.35 -0.65 0.00 0.00 174.74 174.62 2qee h PRO 267 N 6.19 0.64 -0.00 2.88 0.11 -1.85 -2.22 132.00 137.74 2qee h PRO 267 Ca 0.07 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.14 2qee h PRO 267 Cb 0.88 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.84 2qee h PRO 267 CO 0.54 0.42 0.01 0.00 -0.21 0.00 0.00 178.00 178.76 2qee h ALA 268 N 1.65 1.29 -0.01 -0.75 0.00 -1.95 -1.42 119.26 118.07 2qee h ALA 268 Ca 0.27 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2qee h ALA 268 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2qee h ALA 268 CO -0.08 -0.01 -0.02 1.28 0.00 0.00 0.00 179.25 180.42 2qee n LEU 269 N -3.48 0.59 0.00 0.00 4.77 -0.83 -4.99 117.00 113.06 2qee n LEU 269 Ca -0.03 -0.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 2qee n LEU 269 Cb 0.09 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 2qee n LEU 269 CO 0.24 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 2qee n GLY 270 N 1.12 3.83 0.32 -0.72 0.00 -0.54 -1.05 105.19 108.15 2qee n GLY 270 Ca 0.20 -0.01 0.20 0.00 0.00 0.00 0.00 46.02 46.41 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 -0.13 1.61 3.32 -1.94 -1.07 116.42 118.21 2qee h ASP 271 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2qee h ASP 271 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2qee h ASP 271 CO 0.00 0.01 0.00 0.00 -1.72 0.00 0.00 179.24 177.53 2qee n ALA 272 N -2.12 2.53 -0.40 3.45 0.00 -0.22 -4.29 120.51 119.46 2qee n ALA 272 Ca -0.02 -0.36 0.10 0.00 0.00 0.00 0.00 53.44 53.16 2qee n ALA 272 Cb 0.14 -1.12 0.30 0.00 0.00 0.00 0.00 19.45 18.77 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 0.94 2.63 3.86 0.00 0.00 -0.41 -4.81 105.19 107.41 2qee n GLY 273 Ca 0.13 -0.74 -0.35 0.00 0.00 0.00 0.00 46.02 45.06 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 6.68 0.00 1.61 1.01 -1.26 -0.80 116.67 122.91 2qee s ASP 274 Ca 0.45 0.85 0.00 0.00 0.71 0.00 0.00 52.55 54.56 2qee s ASP 274 Cb 0.25 -2.20 0.00 0.00 1.01 0.00 0.00 42.92 41.98 2qee s ASP 274 CO 0.28 0.17 0.00 0.33 0.21 0.00 0.00 175.17 176.16 2qee n PHE 275 N 0.93 0.00 -4.09 4.23 7.35 0.09 -4.93 117.46 121.04 2qee n PHE 275 Ca -0.08 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.49 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 -0.86 0.57 0.07 -2.13 0.11 -1.26 -0.96 120.40 115.94 2qee s VAL 276 Ca 0.00 -1.32 -0.12 0.00 -2.93 0.00 0.00 61.98 57.62 2qee s VAL 276 Cb 0.00 -0.90 0.01 0.00 -1.53 0.00 0.00 36.38 33.96 2qee s VAL 276 CO 0.00 -0.52 0.26 -0.83 -3.33 0.00 0.00 175.10 170.68 2qee s GLY 277 N -1.99 -0.05 0.20 6.54 0.00 -0.73 -4.83 107.32 106.46 2qee s GLY 277 Ca -0.04 -0.26 -0.30 0.00 0.00 0.00 0.00 44.72 44.13 2qee s GLY 277 CO -0.01 -0.46 1.19 1.25 0.00 0.00 0.00 173.10 175.07 2qee s LYS 278 N -3.18 4.50 0.23 2.90 2.20 -1.26 -4.40 119.74 120.73 2qee s LYS 278 Ca -0.00 1.88 0.06 0.00 -0.36 0.00 0.00 55.97 57.54 2qee s LYS 278 Cb 0.01 -3.23 -0.03 0.00 -1.51 0.00 0.00 37.83 33.07 2qee s LYS 278 CO -0.07 -0.06 0.23 0.00 -0.36 0.00 0.00 175.35 175.09 2qee s ALA 279 N -0.20 3.69 0.46 3.13 0.00 -1.26 -4.79 121.76 122.79 2qee s ALA 279 Ca 0.52 -1.33 -0.22 0.00 0.00 0.00 0.00 51.96 50.93 2qee s ALA 279 Cb -0.33 -1.44 -0.08 0.00 0.00 0.00 0.00 23.12 21.27 2qee s ALA 279 CO 0.38 0.29 1.07 0.45 0.00 0.00 0.00 175.76 177.95 2qee s SER 280 N -3.77 6.35 0.00 0.00 0.15 -1.26 -4.94 113.70 110.24 2qee s SER 280 Ca 0.33 2.06 0.27 0.00 0.70 0.00 0.00 55.95 59.31 2qee s SER 280 Cb -0.09 -2.58 0.89 0.00 -1.71 0.00 0.00 66.02 62.54 2qee s SER 280 CO 0.26 -0.78 1.66 0.23 1.20 0.00 0.00 173.24 175.81 2qee n MET 281 N -0.66 0.54 -0.34 5.44 2.81 -1.26 -4.43 117.12 119.22 2qee n MET 281 Ca 0.08 -0.27 0.05 0.00 -1.81 0.00 0.00 57.70 55.76 2qee n MET 281 Cb 0.51 -1.49 0.21 0.00 -0.71 0.00 0.00 33.22 31.73 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 0.65 0.85 -0.25 7.83 3.32 -1.93 -0.13 116.42 126.75 2qee h ASP 282 Ca 0.00 0.05 -0.14 0.00 0.02 0.00 0.00 57.03 56.96 2qee h ASP 282 Cb 0.46 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.88 2qee h ASP 282 CO 0.00 0.47 -0.37 1.23 -1.72 0.00 0.00 179.24 178.84 2qee h GLY 283 N 0.94 0.76 1.01 2.75 0.00 -1.78 -0.35 103.07 106.40 2qee h GLY 283 Ca 0.46 -0.85 -0.05 0.00 0.00 0.00 0.00 47.33 46.89 2qee h GLY 283 CO -0.25 0.76 0.18 -2.08 0.00 0.00 0.00 176.54 175.15 2qee h VAL 284 N 0.42 1.25 -0.67 4.60 2.07 -1.76 -0.67 116.25 121.48 2qee h VAL 284 Ca 0.02 -0.85 -0.02 0.00 0.82 0.00 0.00 66.70 66.67 2qee h VAL 284 Cb 0.96 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 2qee h VAL 284 CO 0.09 0.32 0.34 -0.08 0.02 0.00 0.00 177.57 178.26 2qee h GLU 285 N 0.87 0.95 0.05 1.57 4.81 -0.89 -1.78 114.58 120.16 2qee h GLU 285 Ca 0.19 -0.13 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2qee h GLU 285 Cb 0.31 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.51 2qee h GLU 285 CO -0.00 0.74 -0.03 1.25 -0.73 0.00 0.00 179.01 180.24 2qee h HIS 286 N 0.92 -0.07 -0.45 0.92 2.76 -0.86 -1.89 115.15 116.48 2qee h HIS 286 Ca 0.23 -0.00 0.08 0.00 -2.20 0.00 0.00 60.37 58.48 2qee h HIS 286 Cb 0.09 0.02 -0.07 0.00 1.55 0.00 0.00 27.41 29.00 2qee h HIS 286 CO 0.00 0.01 0.06 -0.07 -1.30 0.00 0.00 177.93 176.63 2qee h LEU 287 N -0.13 -0.06 -0.43 0.26 3.38 -0.87 0.18 115.31 117.65 2qee h LEU 287 Ca -0.01 0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 2qee h LEU 287 Cb 0.11 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 2qee h LEU 287 CO 0.01 0.00 0.09 -0.07 0.09 0.00 0.00 178.44 178.57 2qee h LEU 288 N 0.18 0.66 -0.10 1.67 3.38 -1.23 -1.09 115.31 118.78 2qee h LEU 288 Ca 0.22 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 2qee h LEU 288 Cb 0.30 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 2qee h LEU 288 CO -0.32 0.73 -0.08 -0.09 0.09 0.00 0.00 178.44 178.77 2qee h ARG 289 N 0.56 0.23 0.00 1.13 2.43 -1.09 -3.33 114.38 114.31 2qee h ARG 289 Ca 0.13 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2qee h ARG 289 Cb 0.34 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 2qee h ARG 289 CO 0.00 0.63 -0.29 0.93 -1.51 0.00 0.00 179.97 179.74 2qee h GLU 290 N -0.17 0.00 -2.23 0.20 4.39 -0.98 -3.36 114.58 112.44 2qee h GLU 290 Ca 0.02 0.00 -0.59 0.00 0.34 0.00 0.00 59.36 59.12 2qee h GLU 290 Cb 0.58 0.00 -0.42 0.00 -0.10 0.00 0.00 28.75 28.81 2qee h GLU 290 CO 0.02 0.00 -0.62 0.66 -1.16 0.00 0.00 179.01 177.91 2qee n TYR 291 N -2.81 3.80 0.30 4.33 4.01 -0.41 -4.92 117.16 121.46 2qee n TYR 291 Ca 0.03 -4.08 0.19 0.00 -0.16 0.00 0.00 57.90 53.88 2qee n TYR 291 Cb 0.51 -0.53 0.88 0.00 -0.31 0.00 0.00 39.34 39.90 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 3.61 0.00 -0.39 -0.72 0.13 -1.72 -1.05 132.00 131.86 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 0.59 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.72 2qee h PRO 292 CO 0.83 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.69 2qee n ASN 293 N -2.93 2.81 -4.74 1.44 5.03 -1.26 -4.86 115.26 110.75 2qee n ASN 293 Ca -0.01 -1.92 -0.31 0.00 0.87 0.00 0.00 54.58 53.21 2qee n ASN 293 Cb 0.18 -0.26 -0.07 0.00 -1.02 0.00 0.00 39.78 38.61 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 -1.32 5.37 -0.02 6.41 -0.87 -0.40 -4.75 114.94 119.35 2qee s ASN 294 Ca 0.36 -0.02 0.01 0.00 -1.57 0.00 0.00 52.86 51.65 2qee s ASN 294 Cb 0.20 -1.42 -0.03 0.00 -0.02 0.00 0.00 41.25 39.98 2qee s ASN 294 CO 0.28 0.21 -0.00 -0.54 -2.57 0.00 0.00 177.10 174.48 2qee s LYS 295 N -2.08 2.83 -0.06 -0.60 1.02 -1.26 -4.83 119.74 114.75 2qee s LYS 295 Ca 0.25 -0.56 0.01 0.00 0.02 0.00 0.00 55.97 55.69 2qee s LYS 295 Cb -0.12 -2.69 0.02 0.00 -0.52 0.00 0.00 37.83 34.52 2qee s LYS 295 CO 0.17 0.64 -0.06 -0.06 -0.92 0.00 0.00 175.35 175.13 2qee s PHE 296 N -1.02 0.99 -0.18 3.18 0.08 0.07 -0.78 117.98 120.32 2qee s PHE 296 Ca 0.18 -0.34 -0.07 0.00 0.12 0.00 0.00 56.93 56.82 2qee s PHE 296 Cb -0.11 -0.84 -0.04 0.00 -0.57 0.00 0.00 43.02 41.46 2qee s PHE 296 CO 0.08 -0.26 0.06 -0.51 -0.10 0.00 0.00 175.22 174.49 2qee s LEU 297 N 1.04 3.80 -0.03 -0.37 1.43 0.03 -0.91 118.68 123.67 2qee s LEU 297 Ca -0.09 0.08 0.01 0.00 -1.03 0.00 0.00 54.13 53.11 2qee s LEU 297 Cb -0.14 -1.96 0.01 0.00 0.03 0.00 0.00 46.19 44.13 2qee s LEU 297 CO -0.00 0.18 -0.05 -0.69 0.23 0.00 0.00 176.35 176.01 2qee s VAL 298 N 0.34 0.53 0.02 -1.59 1.01 -0.50 -0.05 120.40 120.15 2qee s VAL 298 Ca 0.03 -0.18 0.04 0.00 0.00 0.00 0.00 61.98 61.86 2qee s VAL 298 Cb -0.12 -0.51 -0.02 0.00 0.00 0.00 0.00 36.38 35.73 2qee s VAL 298 CO 0.00 0.19 -0.11 0.28 0.00 0.00 0.00 175.10 175.46 2qee s THR 299 N 0.49 0.87 0.17 3.92 -1.32 -0.98 -2.13 115.64 116.66 2qee s THR 299 Ca -0.06 -0.74 0.09 0.00 -1.21 0.00 0.00 61.69 59.76 2qee s THR 299 Cb -0.10 -0.78 -0.04 0.00 -1.51 0.00 0.00 72.50 70.07 2qee s THR 299 CO 0.00 0.04 -0.19 -0.04 -2.21 0.00 0.00 174.62 172.23 2qee s MET 300 N -0.79 1.30 -0.08 7.08 -1.94 -1.26 -1.16 119.30 122.45 2qee s MET 300 Ca 0.01 -1.43 0.15 0.00 -1.71 0.00 0.00 55.69 52.71 2qee s MET 300 Cb -0.06 -1.38 -0.23 0.00 2.01 0.00 0.00 34.83 35.17 2qee s MET 300 CO 0.00 0.28 0.50 -0.11 -0.01 0.00 0.00 175.02 175.69 2qee n LEU 301 N 0.27 0.59 -4.73 -0.03 7.94 0.08 -4.62 117.00 116.49 2qee n LEU 301 Ca -0.13 0.28 -0.41 0.00 -1.11 0.00 0.00 56.01 54.64 2qee n LEU 301 Cb 0.57 0.25 -0.04 0.00 0.53 0.00 0.00 43.42 44.73 2qee n LEU 301 CO 0.29 0.38 0.70 -0.55 -1.11 0.00 0.00 177.39 177.11 2qee s SER 302 N -5.83 7.43 0.38 1.96 0.15 -1.26 -4.51 113.70 112.02 2qee s SER 302 Ca -0.06 1.88 0.11 0.00 0.70 0.00 0.00 55.95 58.57 2qee s SER 302 Cb 0.08 -2.59 0.88 0.00 -1.71 0.00 0.00 66.02 62.67 2qee s SER 302 CO 0.83 -0.11 1.89 -0.09 1.20 0.00 0.00 173.24 176.96 2qee h ARG 303 N 5.44 0.60 -0.00 5.44 2.43 -1.95 -2.22 114.38 124.13 2qee h ARG 303 Ca -0.43 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 2qee h ARG 303 Cb 1.21 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 2qee h ARG 303 CO 0.72 0.40 -0.03 0.39 -1.51 0.00 0.00 179.97 179.93 2qee n GLU 304 N -4.53 0.40 0.01 0.20 4.71 -1.26 -2.49 120.64 117.69 2qee n GLU 304 Ca 0.16 -0.04 0.12 0.00 -0.01 0.00 0.00 57.16 57.38 2qee n GLU 304 Cb 0.46 -1.50 0.14 0.00 -1.01 0.00 0.00 31.44 29.53 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 -1.26 0.62 -0.04 1.62 5.03 -0.83 -4.70 115.26 115.69 2qee n ASN 305 Ca 0.13 -0.32 -0.13 0.00 0.87 0.00 0.00 54.58 55.13 2qee n ASN 305 Cb 0.26 0.46 -0.08 0.00 -1.02 0.00 0.00 39.78 39.40 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 0.29 -0.20 3.52 1.08 -1.57 -1.18 115.11 117.04 2qee h GLN 306 Ca 0.00 -0.17 -0.00 0.00 -1.45 0.00 0.00 58.65 57.03 2qee h GLN 306 Cb 0.57 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.00 2qee h GLN 306 CO 0.00 0.74 0.12 1.25 -0.95 0.00 0.00 178.83 179.99 2qee h HIS 307 N -0.14 0.26 -0.00 2.96 2.76 -1.84 -1.96 115.15 117.20 2qee h HIS 307 Ca 0.01 -0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.11 2qee h HIS 307 Cb 0.71 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 29.57 2qee h HIS 307 CO 0.10 0.21 -0.31 1.05 -1.30 0.00 0.00 177.93 177.68 2qee h GLU 308 N 0.24 0.00 -0.47 5.26 4.11 -1.84 -1.50 114.58 120.39 2qee h GLU 308 Ca 0.07 -0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.49 2qee h GLU 308 Cb 0.03 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 2qee h GLU 308 CO -0.01 0.31 0.27 1.25 0.07 0.00 0.00 179.01 180.90 2qee h LEU 309 N 0.00 0.58 -0.68 3.06 5.85 -0.92 0.17 115.31 123.38 2qee h LEU 309 Ca -0.00 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.66 2qee h LEU 309 Cb 0.55 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.39 2qee h LEU 309 CO 0.04 0.49 0.44 0.58 -0.34 0.00 0.00 178.44 179.65 2qee h VAL 310 N 0.63 1.14 -0.41 1.05 2.07 -0.53 -1.66 116.25 118.52 2qee h VAL 310 Ca 0.17 -0.30 -0.09 0.00 0.82 0.00 0.00 66.70 67.30 2qee h VAL 310 Cb 0.03 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 29.96 2qee h VAL 310 CO -0.03 0.16 -0.09 0.58 0.02 0.00 0.00 177.57 178.21 2qee h VAL 311 N 0.88 1.25 -0.43 2.57 2.07 -0.84 -1.72 116.25 120.04 2qee h VAL 311 Ca 0.26 -1.11 -0.04 0.00 0.82 0.00 0.00 66.70 66.63 2qee h VAL 311 Cb -0.05 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 2qee h VAL 311 CO -0.08 0.38 0.11 0.25 0.02 0.00 0.00 177.57 178.25 2qee h LEU 312 N 0.66 0.58 -1.15 2.57 5.85 -0.12 -1.22 115.31 122.48 2qee h LEU 312 Ca 0.12 -0.09 -0.08 0.00 0.84 0.00 0.00 57.88 58.68 2qee h LEU 312 Cb 0.55 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 2qee h LEU 312 CO 0.03 0.58 -0.23 0.00 -0.34 0.00 0.00 178.44 178.48 2qee h ALA 313 N 1.50 1.29 -0.17 1.25 0.00 -0.43 -1.29 119.26 121.41 2qee h ALA 313 Ca 0.14 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2qee h ALA 313 Cb 0.23 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2qee h ALA 313 CO -0.00 0.47 0.01 0.00 0.00 0.00 0.00 179.25 179.73 2qee h ARG 314 N 0.28 0.24 0.06 0.00 3.08 -0.69 -3.07 114.38 114.28 2qee h ARG 314 Ca 0.05 -0.03 -0.24 0.00 0.07 0.00 0.00 59.98 59.83 2qee h ARG 314 Cb 0.56 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 2qee h ARG 314 CO 0.04 0.26 -1.08 0.87 -1.07 0.00 0.00 179.97 178.99 2qee h LYS 315 N 0.24 0.21 -3.81 0.04 1.79 -0.93 -3.46 116.57 110.65 2qee h LYS 315 Ca 0.06 -0.31 -0.51 0.00 -2.18 0.00 0.00 60.65 57.71 2qee h LYS 315 Cb 0.15 0.11 -0.39 0.00 -1.58 0.00 0.00 32.23 30.52 2qee h LYS 315 CO 0.00 1.10 -0.78 -0.06 -1.08 0.00 0.00 179.45 178.64 2qee s PHE 316 N -2.85 1.15 -0.43 -1.35 0.08 -1.00 -5.00 117.98 108.58 2qee s PHE 316 Ca -0.03 -0.72 0.24 0.00 0.12 0.00 0.00 56.93 56.54 2qee s PHE 316 Cb 0.09 -1.06 1.02 0.00 -0.57 0.00 0.00 43.02 42.49 2qee s PHE 316 CO 0.86 -0.53 1.73 0.66 -0.10 0.00 0.00 175.22 177.84 2qee h SER 317 N 8.23 0.00 -0.25 1.36 4.64 -1.89 -2.30 113.55 123.34 2qee h SER 317 Ca -0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 2qee h SER 317 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 2qee h SER 317 CO 0.34 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 175.84 2qee n ASN 318 N -2.30 1.47 -4.53 4.97 6.94 -1.26 -4.76 115.26 115.79 2qee n ASN 318 Ca 0.02 -1.93 -0.35 0.00 -0.02 0.00 0.00 54.58 52.31 2qee n ASN 318 Cb 0.23 -0.17 -0.11 0.00 -2.36 0.00 0.00 39.78 37.37 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 -1.12 3.53 -0.20 -4.53 2.96 -0.87 -0.75 118.68 117.71 2qee s LEU 319 Ca 0.22 -0.07 -0.00 0.00 -0.22 0.00 0.00 54.13 54.05 2qee s LEU 319 Cb 0.11 -1.90 0.02 0.00 0.50 0.00 0.00 46.19 44.92 2qee s LEU 319 CO 0.15 0.11 -0.15 -0.32 -1.32 0.00 0.00 176.35 174.82 2qee s MET 320 N 0.76 3.01 0.13 1.98 -2.45 -0.09 -4.92 119.30 117.72 2qee s MET 320 Ca 0.02 -0.83 -0.09 0.00 -1.25 0.00 0.00 55.69 53.54 2qee s MET 320 Cb -0.14 -2.71 -0.06 0.00 1.25 0.00 0.00 34.83 33.17 2qee s MET 320 CO 0.02 -0.25 0.44 0.96 1.05 0.00 0.00 175.02 177.24 2qee s ILE 321 N 1.32 5.06 -0.03 10.11 -4.36 -1.26 -1.42 121.20 130.62 2qee s ILE 321 Ca 0.04 0.37 -0.01 0.00 -0.26 0.00 0.00 60.65 60.79 2qee s ILE 321 Cb -0.14 -3.64 0.02 0.00 1.25 0.00 0.00 42.46 39.95 2qee s ILE 321 CO -0.10 0.14 0.07 0.72 0.24 0.00 0.00 174.94 176.00 2qee s PHE 322 N -1.57 -0.05 0.09 1.37 -0.12 -0.90 -2.06 117.98 114.74 2qee s PHE 322 Ca 0.39 0.22 0.00 0.00 -0.05 0.00 0.00 56.93 57.48 2qee s PHE 322 Cb -0.13 -0.11 0.00 0.00 -0.63 0.00 0.00 43.02 42.15 2qee s PHE 322 CO 0.21 -0.09 0.00 0.41 -0.05 0.00 0.00 175.22 175.70 2qee n GLY 323 N 3.77 -1.97 2.95 1.99 0.00 0.07 -4.37 105.19 107.64 2qee n GLY 323 Ca -0.22 -1.43 -0.31 0.00 0.00 0.00 0.00 46.02 44.06 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 0.75 3.43 0.00 0.00 -0.00 -1.26 -3.54 118.94 118.32 2qee s TRP 325 Ca 0.12 1.30 0.00 0.00 -0.00 0.00 0.00 56.10 57.52 2qee s TRP 325 Cb -0.20 -3.04 0.00 0.00 -0.00 0.00 0.00 33.47 30.23 2qee s TRP 325 CO -0.08 -0.25 0.00 1.87 -0.00 0.00 0.00 176.95 178.49 2qee n TRP 326 N 5.25 0.00 0.65 5.86 -0.00 -1.26 -0.64 117.44 127.31 2qee n TRP 326 Ca 0.05 0.00 0.08 0.00 -0.00 0.00 0.00 57.50 57.63 2qee n TRP 326 Cb 0.49 0.00 0.38 0.00 -0.00 0.00 0.00 31.31 32.18 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 0.00 1.01 5.87 3.72 -1.26 -1.06 117.46 125.74 2qee n PHE 327 Ca 0.00 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.52 2qee n PHE 327 Cb 0.00 -0.42 0.22 0.00 -0.94 0.00 0.00 39.48 38.34 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 -1.42 0.04 -1.88 -1.08 2.81 0.19 -4.60 117.12 111.18 2qee n MET 328 Ca 0.06 -0.02 -0.37 0.00 -1.81 0.00 0.00 57.70 55.56 2qee n MET 328 Cb 0.17 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.16 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 -1.46 7.62 -4.01 7.83 5.15 -0.22 -3.60 115.26 126.57 2qee n ASN 329 Ca 0.06 -3.18 -0.21 0.00 -0.60 0.00 0.00 54.58 50.66 2qee n ASN 329 Cb 0.34 -1.32 -0.15 0.00 -0.53 0.00 0.00 39.78 38.11 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 0.32 1.25 0.31 1.20 0.01 -1.26 -4.95 114.94 111.82 2qee s ASN 330 Ca 0.55 -0.19 0.04 0.00 -0.71 0.00 0.00 52.86 52.54 2qee s ASN 330 Cb 0.24 -0.32 0.80 0.00 0.41 0.00 0.00 41.25 42.37 2qee s ASN 330 CO -0.13 0.07 1.59 -0.65 -1.51 0.00 0.00 177.10 176.47 2qee h PRO 331 N 6.35 0.05 -0.61 -0.60 0.11 -1.97 0.27 132.00 135.61 2qee h PRO 331 Ca -0.33 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.74 2qee h PRO 331 Cb 1.17 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 2qee h PRO 331 CO 0.49 0.03 0.22 1.49 -0.21 0.00 0.00 178.00 180.02 2qee h GLU 332 N 0.05 0.90 0.13 1.05 4.57 -1.97 -1.08 114.58 118.23 2qee h GLU 332 Ca 0.61 -0.16 -0.29 0.00 -1.18 0.00 0.00 59.36 58.35 2qee h GLU 332 Cb 1.30 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 29.74 2qee h GLU 332 CO -0.84 0.76 -1.45 0.82 -1.18 0.00 0.00 179.01 177.12 2qee h ILE 333 N 0.88 1.03 -0.72 2.32 1.08 -0.98 -2.89 117.51 118.23 2qee h ILE 333 Ca 0.20 -2.42 0.15 0.00 -0.39 0.00 0.00 64.86 62.40 2qee h ILE 333 Cb 0.21 2.74 -0.11 0.00 -3.07 0.00 0.00 36.82 36.60 2qee h ILE 333 CO -0.01 0.73 0.18 0.40 -0.69 0.00 0.00 178.15 178.75 2qee h ILE 334 N -0.24 0.54 0.43 -0.67 2.04 -0.54 0.30 117.51 119.37 2qee h ILE 334 Ca -0.31 -0.10 -0.02 0.00 1.00 0.00 0.00 64.86 65.44 2qee h ILE 334 Cb 1.81 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 38.14 2qee h ILE 334 CO 0.08 0.05 -0.21 -1.13 0.00 0.00 0.00 178.15 176.95 2qee h ASN 335 N 0.28 -0.49 -0.74 1.72 -1.24 -1.26 -0.63 115.58 113.22 2qee h ASN 335 Ca 0.40 -0.05 0.05 0.00 0.71 0.00 0.00 56.30 57.40 2qee h ASN 335 Cb 0.66 0.13 -0.05 0.00 0.73 0.00 0.00 38.32 39.79 2qee h ASN 335 CO -0.49 -0.24 0.45 1.05 -1.29 0.00 0.00 177.43 176.91 2qee h GLU 336 N -0.71 0.83 -0.51 6.67 4.11 -1.27 -1.80 114.58 121.89 2qee h GLU 336 Ca -0.06 -0.05 -0.05 0.00 0.07 0.00 0.00 59.36 59.27 2qee h GLU 336 Cb 0.51 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 2qee h GLU 336 CO 0.10 0.55 0.13 0.52 0.07 0.00 0.00 179.01 180.38 2qee h MET 337 N 0.85 0.81 -0.38 1.06 2.86 -0.83 -1.41 114.93 117.89 2qee h MET 337 Ca 0.31 -0.19 -0.12 0.00 -2.06 0.00 0.00 59.70 57.65 2qee h MET 337 Cb 0.11 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 2qee h MET 337 CO -0.15 0.77 -0.24 1.15 1.06 0.00 0.00 176.91 179.51 2qee h THR 338 N 0.70 1.27 -0.05 2.22 2.02 -0.92 -0.17 112.91 117.98 2qee h THR 338 Ca 0.16 -1.35 -0.02 0.00 0.77 0.00 0.00 66.41 65.97 2qee h THR 338 Cb 0.32 1.23 -0.00 0.00 -1.74 0.00 0.00 68.15 67.96 2qee h THR 338 CO 0.00 0.45 -0.03 0.03 0.37 0.00 0.00 175.52 176.34 2qee h ARG 339 N 0.67 0.11 -0.77 6.66 3.08 -1.22 0.18 114.38 123.08 2qee h ARG 339 Ca 0.09 -0.05 0.04 0.00 0.07 0.00 0.00 59.98 60.13 2qee h ARG 339 Cb 0.75 -0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.75 2qee h ARG 339 CO 0.06 0.52 0.49 0.52 -1.07 0.00 0.00 179.97 180.48 2qee h MET 340 N -0.31 0.91 -0.09 0.04 2.86 -1.11 0.29 114.93 117.52 2qee h MET 340 Ca 0.01 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 2qee h MET 340 Cb 0.49 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 31.94 2qee h MET 340 CO 0.01 0.60 0.02 0.00 1.06 0.00 0.00 176.91 178.60 2qee h ARG 341 N 0.94 0.15 -0.22 1.72 3.08 -0.92 -2.39 114.38 116.74 2qee h ARG 341 Ca 0.31 -0.04 -0.14 0.00 0.07 0.00 0.00 59.98 60.19 2qee h ARG 341 Cb 0.04 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 2qee h ARG 341 CO -0.12 0.35 -0.45 1.98 -1.07 0.00 0.00 179.97 180.66 2qee h MET 342 N -0.08 0.54 -0.81 0.04 4.05 -0.71 0.30 114.93 118.26 2qee h MET 342 Ca 0.03 -0.29 0.03 0.00 -0.28 0.00 0.00 59.70 59.19 2qee h MET 342 Cb 0.27 0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 31.04 2qee h MET 342 CO 0.00 0.88 0.54 0.93 0.23 0.00 0.00 176.91 179.49 2qee h GLU 343 N 0.44 0.99 0.00 0.39 5.08 -0.83 0.24 114.58 120.89 2qee h GLU 343 Ca 0.03 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2qee h GLU 343 Cb 0.96 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.98 2qee h GLU 343 CO 0.08 0.65 -1.13 -1.33 -1.00 0.00 0.00 179.01 176.29 2qee n MET 344 N -4.44 1.28 0.00 2.33 2.81 -0.91 -4.57 117.12 113.62 2qee n MET 344 Ca 0.10 -0.06 0.00 0.00 -1.81 0.00 0.00 57.70 55.94 2qee n MET 344 Cb 0.10 -1.30 0.00 0.00 -0.71 0.00 0.00 33.22 31.31 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 -1.64 0.39 0.00 4.03 4.77 0.10 -4.87 117.00 119.78 2qee n LEU 345 Ca 0.01 -0.63 0.00 0.00 -0.03 0.00 0.00 56.01 55.36 2qee n LEU 345 Cb 0.32 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 2qee n LEU 345 CO 0.33 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 2qee n GLY 346 N 0.48 3.45 1.17 -0.72 0.00 0.07 -1.55 105.19 108.09 2qee n GLY 346 Ca 0.00 -0.10 0.08 0.00 0.00 0.00 0.00 46.02 46.01 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 1.66 -1.44 2.61 -2.24 -1.26 -4.37 114.28 109.24 2qee n THR 347 Ca 0.00 -1.28 -0.25 0.00 -2.27 0.00 0.00 64.05 60.25 2qee n THR 347 Cb 0.00 0.17 -0.07 0.00 -2.10 0.00 0.00 70.33 68.33 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 0.64 6.38 -3.28 3.42 3.41 -0.60 -4.71 113.62 118.88 2qee n SER 348 Ca 0.21 -3.08 -0.11 0.00 -0.26 0.00 0.00 58.87 55.63 2qee n SER 348 Cb 0.75 -1.27 -0.01 0.00 -0.26 0.00 0.00 64.21 63.41 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 -1.20 0.46 -0.37 7.33 -0.12 -1.26 -4.81 117.98 118.01 2qee s PHE 349 Ca 0.60 -0.91 0.00 0.00 -0.05 0.00 0.00 56.93 56.57 2qee s PHE 349 Cb 0.36 0.41 0.10 0.00 -0.63 0.00 0.00 43.02 43.26 2qee s PHE 349 CO -0.18 -1.30 0.12 0.42 -0.05 0.00 0.00 175.22 174.23 2qee s ILE 350 N -2.97 2.80 0.45 -4.49 1.01 -0.87 -4.71 121.20 112.42 2qee s ILE 350 Ca 0.21 -2.17 0.22 0.00 0.00 0.00 0.00 60.65 58.91 2qee s ILE 350 Cb -0.03 -2.97 0.25 0.00 0.01 0.00 0.00 42.46 39.72 2qee s ILE 350 CO 0.14 -0.62 2.06 1.55 0.00 0.00 0.00 174.94 178.06 2qee h PRO 351 N 7.84 0.00 -3.15 2.79 0.13 -1.86 0.24 132.00 137.98 2qee h PRO 351 Ca -0.09 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.97 2qee h PRO 351 Cb 1.04 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.01 2qee h PRO 351 CO 0.61 0.14 -0.10 -1.14 -0.23 0.00 0.00 178.00 177.27 2qee s GLN 352 N -4.44 0.96 0.10 0.86 2.00 -1.26 -3.48 119.66 114.40 2qee s GLN 352 Ca -0.04 -0.48 -0.01 0.00 -2.00 0.00 0.00 55.36 52.83 2qee s GLN 352 Cb 0.15 0.43 -0.04 0.00 0.80 0.00 0.00 33.01 34.34 2qee s GLN 352 CO 0.63 -0.34 0.03 -3.38 -0.50 0.00 0.00 175.29 171.73 2qee s HIS 353 N -2.89 0.71 -0.07 1.67 -3.43 -1.26 -4.68 115.29 105.35 2qee s HIS 353 Ca -0.03 -1.15 0.09 0.00 -0.80 0.00 0.00 55.06 53.18 2qee s HIS 353 Cb 0.00 -0.43 -0.24 0.00 -1.43 0.00 0.00 32.58 30.49 2qee s HIS 353 CO -0.05 -0.48 0.56 -1.13 -2.00 0.00 0.00 174.74 171.65 2qee n SER 354 N -0.02 1.05 -2.27 7.38 3.41 -1.25 -4.71 113.62 117.20 2qee n SER 354 Ca -0.09 0.35 -0.17 0.00 -0.26 0.00 0.00 58.87 58.71 2qee n SER 354 Cb 0.63 -0.14 -0.02 0.00 -0.26 0.00 0.00 64.21 64.42 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 -3.11 -4.84 -4.70 4.04 -0.08 -0.52 -4.86 116.55 102.48 2qee n ASP 355 Ca -0.21 0.14 -0.44 0.00 -1.51 0.00 0.00 54.79 52.77 2qee n ASP 355 Cb 1.06 -4.11 -0.03 0.00 2.34 0.00 0.00 41.12 40.37 2qee n ASP 355 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2qee n ALA 356 N -1.64 2.23 -0.03 -1.67 0.00 -1.26 -4.46 120.51 113.68 2qee n ALA 356 Ca -0.19 0.41 0.05 0.00 0.00 0.00 0.00 53.44 53.71 2qee n ALA 356 Cb 0.63 -2.46 -0.15 0.00 0.00 0.00 0.00 19.45 17.47 2qee n ALA 356 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qee n ARG 357 N 3.85 0.66 -4.88 0.00 1.74 -1.26 0.07 116.66 116.84 2qee n ARG 357 Ca 0.17 -0.10 -0.28 0.00 -0.77 0.00 0.00 57.85 56.86 2qee n ARG 357 Cb 0.33 -1.56 -0.17 0.00 -1.02 0.00 0.00 32.46 30.04 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 -3.20 1.59 0.22 1.55 1.01 -1.26 -4.41 120.40 115.90 2qee s VAL 358 Ca -0.08 -0.74 -0.12 0.00 0.00 0.00 0.00 61.98 61.04 2qee s VAL 358 Cb 0.11 -1.40 0.25 0.00 0.00 0.00 0.00 36.38 35.34 2qee s VAL 358 CO 0.88 0.45 1.63 0.25 0.00 0.00 0.00 175.10 178.31 2qee h LEU 359 N 6.86 -0.57 -2.07 3.92 5.85 -1.00 -1.00 115.31 127.31 2qee h LEU 359 Ca -0.25 0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.66 2qee h LEU 359 Cb 1.21 0.39 0.00 0.00 0.37 0.00 0.00 40.66 42.64 2qee h LEU 359 CO 0.47 -0.21 0.00 -0.33 -0.34 0.00 0.00 178.44 178.03 2qee h GLU 360 N 0.02 0.00 0.00 1.25 3.07 -1.93 -2.41 114.58 114.57 2qee h GLU 360 Ca 0.32 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.18 2qee h GLU 360 Cb 0.51 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.42 2qee h GLU 360 CO -0.67 0.00 -0.00 1.96 -1.40 0.00 0.00 179.01 178.90 2qee h GLN 361 N 0.00 0.00 -0.63 2.33 4.20 -1.58 -0.66 115.11 118.76 2qee h GLN 361 Ca 0.00 0.00 0.13 0.00 0.06 0.00 0.00 58.65 58.84 2qee h GLN 361 Cb 0.23 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.97 2qee h GLN 361 CO 0.00 0.00 0.43 -0.07 -0.67 0.00 0.00 178.83 178.52 2qee h LEU 362 N 0.00 0.29 0.61 1.46 3.38 -1.61 0.35 115.31 119.78 2qee h LEU 362 Ca -0.00 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 2qee h LEU 362 Cb 0.07 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 40.78 2qee h LEU 362 CO 0.00 0.16 -0.29 0.40 0.09 0.00 0.00 178.44 178.80 2qee h ILE 363 N 0.32 0.31 -0.15 1.22 2.04 -1.36 -2.59 117.51 117.30 2qee h ILE 363 Ca 0.30 -0.26 -0.20 0.00 1.00 0.00 0.00 64.86 65.71 2qee h ILE 363 Cb 0.75 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.22 2qee h ILE 363 CO -0.08 0.03 -0.70 0.10 0.00 0.00 0.00 178.15 177.51 2qee h TYR 364 N -1.00 0.84 -0.78 1.37 -0.00 -1.61 -0.87 116.97 114.91 2qee h TYR 364 Ca -0.08 -0.35 0.01 0.00 0.00 0.00 0.00 58.73 58.30 2qee h TYR 364 Cb 0.68 -0.14 -0.04 0.00 0.00 0.00 0.00 36.73 37.23 2qee h TYR 364 CO -0.00 1.14 0.51 0.87 -0.00 0.00 0.00 178.16 180.68 2qee h LYS 365 N 0.45 1.04 0.14 0.10 1.79 -0.99 0.10 116.57 119.19 2qee h LYS 365 Ca -0.03 -0.07 -0.30 0.00 -2.18 0.00 0.00 60.65 58.08 2qee h LYS 365 Cb 1.29 -0.23 0.03 0.00 -1.58 0.00 0.00 32.23 31.74 2qee h LYS 365 CO 0.13 0.69 -1.25 -1.49 -1.08 0.00 0.00 179.45 176.46 2qee h TRP 366 N 1.06 0.98 -0.16 -1.35 4.06 -1.45 -2.82 115.95 116.27 2qee h TRP 366 Ca 0.29 -0.64 -0.01 0.00 2.06 0.00 0.00 58.89 60.59 2qee h TRP 366 Cb -0.11 -0.07 -0.01 0.00 -1.00 0.00 0.00 29.16 27.97 2qee h TRP 366 CO -0.02 1.48 0.06 0.45 -3.56 0.00 0.00 178.44 176.85 2qee h HIS 367 N 0.21 0.25 -0.51 0.49 3.86 -0.91 0.10 115.15 118.65 2qee h HIS 367 Ca -0.20 -0.02 -0.08 0.00 -1.16 0.00 0.00 60.37 58.92 2qee h HIS 367 Cb 1.93 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 30.31 2qee h HIS 367 CO 0.12 0.33 0.00 0.45 0.86 0.00 0.00 177.93 179.69 2qee h HIS 368 N 0.10 0.91 -0.06 2.45 3.86 -1.08 -2.81 115.15 118.52 2qee h HIS 368 Ca 0.05 -0.13 -0.21 0.00 -1.16 0.00 0.00 60.37 58.92 2qee h HIS 368 Cb 0.18 -0.25 0.01 0.00 1.06 0.00 0.00 27.41 28.42 2qee h HIS 368 CO -0.01 0.83 -0.79 0.77 0.86 0.00 0.00 177.93 179.59 2qee h SER 369 N 0.79 0.80 -0.93 2.45 0.02 -1.37 -3.22 113.55 112.08 2qee h SER 369 Ca 0.15 -0.70 -0.01 0.00 -0.84 0.00 0.00 61.79 60.39 2qee h SER 369 Cb 0.47 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.73 2qee h SER 369 CO 0.02 1.38 0.54 0.11 -1.14 0.00 0.00 176.83 177.75 2qee h LYS 370 N 0.29 1.28 -0.59 3.45 1.57 -0.72 -0.24 116.57 121.61 2qee h LYS 370 Ca -0.08 -0.13 -0.07 0.00 -1.87 0.00 0.00 60.65 58.50 2qee h LYS 370 Cb 1.45 -0.26 -0.03 0.00 0.08 0.00 0.00 32.23 33.47 2qee h LYS 370 CO 0.16 0.91 0.09 0.66 -0.57 0.00 0.00 179.45 180.70 2qee h SER 371 N 1.30 0.92 0.18 0.86 4.64 -1.56 0.11 113.55 119.99 2qee h SER 371 Ca 0.33 -0.21 -0.01 0.00 -0.47 0.00 0.00 61.79 61.44 2qee h SER 371 Cb -0.03 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 61.82 2qee h SER 371 CO -0.06 0.92 -0.09 0.40 -0.87 0.00 0.00 176.83 177.14 2qee h ILE 372 N 0.91 0.93 -0.91 0.95 2.04 -1.48 -2.26 117.51 117.68 2qee h ILE 372 Ca 0.18 -0.61 0.06 0.00 1.00 0.00 0.00 64.86 65.50 2qee h ILE 372 Cb 0.41 1.29 -0.06 0.00 -0.74 0.00 0.00 36.82 37.71 2qee h ILE 372 CO 0.01 0.14 0.57 0.40 0.00 0.00 0.00 178.15 179.27 2qee h ILE 373 N -0.54 1.06 -0.90 -0.67 2.04 -0.87 -1.38 117.51 116.24 2qee h ILE 373 Ca -0.02 -0.36 0.04 0.00 1.00 0.00 0.00 64.86 65.52 2qee h ILE 373 Cb 0.41 -0.08 -0.06 0.00 -0.74 0.00 0.00 36.82 36.36 2qee h ILE 373 CO 0.04 0.19 0.58 0.00 0.00 0.00 0.00 178.15 178.96 2qee h ALA 374 N 1.42 1.21 -0.60 1.87 0.00 -0.70 -1.09 119.26 121.37 2qee h ALA 374 Ca 0.40 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.23 2qee h ALA 374 Cb 0.17 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2qee h ALA 374 CO -0.17 0.40 0.18 0.93 0.00 0.00 0.00 179.25 180.59 2qee h GLU 375 N 1.10 0.94 -0.19 0.00 5.08 -0.71 -0.13 114.58 120.67 2qee h GLU 375 Ca 0.37 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 2qee h GLU 375 Cb 0.06 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 2qee h GLU 375 CO -0.14 0.84 0.07 0.28 -1.00 0.00 0.00 179.01 179.06 2qee h VAL 376 N 0.86 1.17 -0.70 3.13 2.07 -0.90 -2.25 116.25 119.64 2qee h VAL 376 Ca 0.19 -0.53 0.01 0.00 0.82 0.00 0.00 66.70 67.19 2qee h VAL 376 Cb 0.30 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 2qee h VAL 376 CO -0.01 0.17 0.46 -0.07 0.02 0.00 0.00 177.57 178.14 2qee h LEU 377 N 0.14 0.80 -0.25 2.57 3.38 -0.91 -1.36 115.31 119.67 2qee h LEU 377 Ca 0.06 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.05 2qee h LEU 377 Cb 0.20 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 2qee h LEU 377 CO -0.00 0.57 0.01 0.40 0.09 0.00 0.00 178.44 179.51 2qee h ILE 378 N 0.94 0.83 -0.61 1.22 2.04 -0.87 0.14 117.51 121.19 2qee h ILE 378 Ca 0.26 -0.03 0.02 0.00 1.00 0.00 0.00 64.86 66.11 2qee h ILE 378 Cb -0.10 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 36.69 2qee h ILE 378 CO -0.06 0.02 0.39 0.44 0.00 0.00 0.00 178.15 178.94 2qee h ASP 379 N 0.09 0.66 -0.42 1.72 3.32 -1.05 0.11 116.42 120.84 2qee h ASP 379 Ca 0.12 -0.01 -0.13 0.00 0.02 0.00 0.00 57.03 57.03 2qee h ASP 379 Cb 0.15 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2qee h ASP 379 CO -0.19 0.47 -0.25 0.11 -1.72 0.00 0.00 179.24 177.66 2qee h LYS 380 N 0.78 0.92 -0.35 3.56 6.56 -0.77 -1.37 116.57 125.91 2qee h LYS 380 Ca 0.24 -0.42 -0.04 0.00 -1.06 0.00 0.00 60.65 59.36 2qee h LYS 380 Cb -0.03 -0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 31.60 2qee h LYS 380 CO -0.08 1.07 0.04 1.88 -2.06 0.00 0.00 179.45 180.31 2qee h TYR 381 N 0.74 0.62 -0.89 -1.35 0.05 -0.65 -2.48 116.97 113.02 2qee h TYR 381 Ca 0.09 -0.09 0.11 0.00 0.05 0.00 0.00 58.73 58.89 2qee h TYR 381 Cb 0.82 -0.17 -0.08 0.00 1.01 0.00 0.00 36.73 38.31 2qee h TYR 381 CO 0.06 0.65 0.52 0.22 -1.05 0.00 0.00 178.16 178.56 2qee h ASP 382 N 0.41 0.74 -0.59 3.88 3.58 -0.61 0.16 116.42 123.99 2qee h ASP 382 Ca 0.10 0.05 -0.09 0.00 0.42 0.00 0.00 57.03 57.52 2qee h ASP 382 Cb 0.38 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.31 2qee h ASP 382 CO 0.01 0.40 0.04 0.44 -2.88 0.00 0.00 179.24 177.25 2qee h ASP 383 N 0.84 1.01 0.87 2.28 3.32 -1.01 0.82 116.42 124.55 2qee h ASP 383 Ca 0.44 -0.26 -0.19 0.00 0.02 0.00 0.00 57.03 57.04 2qee h ASP 383 Cb 0.45 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 2qee h ASP 383 CO -0.27 1.04 -0.90 0.16 -1.72 0.00 0.00 179.24 177.55 2qee h ILE 384 N 0.96 1.63 -0.80 0.35 3.07 -0.92 -2.64 117.51 119.16 2qee h ILE 384 Ca 0.18 -3.04 0.07 0.00 1.55 0.00 0.00 64.86 63.62 2qee h ILE 384 Cb 0.50 2.65 -0.06 0.00 -0.27 0.00 0.00 36.82 39.63 2qee h ILE 384 CO 0.02 0.87 0.47 -0.07 -1.05 0.00 0.00 178.15 178.39 2qee h LEU 385 N 0.01 0.72 -1.79 0.16 3.38 -0.61 -0.58 115.31 116.59 2qee h LEU 385 Ca -0.01 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2qee h LEU 385 Cb 1.58 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 42.21 2qee h LEU 385 CO 0.12 0.45 -0.11 1.56 0.09 0.00 0.00 178.44 180.55 2qee h GLN 386 N 0.85 0.00 -0.06 1.13 1.08 -0.66 -1.19 115.11 116.27 2qee h GLN 386 Ca 0.36 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.56 2qee h GLN 386 Cb 0.22 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.65 2qee h GLN 386 CO -0.19 0.11 0.00 0.00 -0.95 0.00 0.00 178.83 177.80 2qee n ALA 387 N -2.51 2.58 -0.29 3.87 0.00 -0.67 -4.90 120.51 118.59 2qee n ALA 387 Ca -0.03 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.15 2qee n ALA 387 Cb 0.19 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.40 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 0.92 0.69 3.75 0.00 0.00 -0.45 -5.06 105.19 105.04 2qee n GLY 388 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.46 3.74 -0.37 1.61 -0.11 -0.31 -4.99 118.94 116.05 2qee s TRP 389 Ca 0.00 1.78 -0.18 0.00 1.22 0.00 0.00 56.10 58.91 2qee s TRP 389 Cb 0.00 -3.16 0.00 0.00 -1.50 0.00 0.00 33.47 28.81 2qee s TRP 389 CO 0.00 -0.15 0.53 -1.21 -4.62 0.00 0.00 176.95 171.50 2qee s GLU 390 N -1.19 3.54 -0.18 5.86 2.02 -1.26 -4.16 118.70 123.32 2qee s GLU 390 Ca 0.44 -0.23 -0.12 0.00 0.02 0.00 0.00 54.97 55.08 2qee s GLU 390 Cb -0.29 -3.84 -0.05 0.00 0.10 0.00 0.00 34.13 30.05 2qee s GLU 390 CO 0.37 -0.71 0.21 0.08 0.02 0.00 0.00 175.26 175.23 2qee s VAL 391 N 2.44 5.36 0.19 2.63 1.01 -1.26 -5.00 120.40 125.76 2qee s VAL 391 Ca 0.19 0.37 0.05 0.00 0.00 0.00 0.00 61.98 62.58 2qee s VAL 391 Cb -0.15 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 2qee s VAL 391 CO 0.14 0.43 0.22 0.42 0.00 0.00 0.00 175.10 176.30 2qee s THR 392 N 0.33 4.80 0.38 3.92 -4.23 -1.26 -2.24 115.64 117.33 2qee s THR 392 Ca 0.12 -1.03 0.06 0.00 -1.18 0.00 0.00 61.69 59.66 2qee s THR 392 Cb -0.12 -3.51 0.28 0.00 1.34 0.00 0.00 72.50 70.49 2qee s THR 392 CO 0.01 -0.18 2.01 -0.08 -0.54 0.00 0.00 174.62 175.83 2qee h GLU 393 N 1.99 0.68 -0.76 3.99 4.81 -1.96 -1.44 114.58 121.89 2qee h GLU 393 Ca -0.49 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 58.66 2qee h GLU 393 Cb 1.21 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 30.40 2qee h GLU 393 CO 0.64 0.45 0.29 0.93 -0.73 0.00 0.00 179.01 180.59 2qee h GLU 394 N 0.70 1.15 -0.51 1.92 4.39 -1.99 -0.19 114.58 120.05 2qee h GLU 394 Ca 0.24 -0.21 -0.08 0.00 0.34 0.00 0.00 59.36 59.65 2qee h GLU 394 Cb 0.08 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.53 2qee h GLU 394 CO -0.06 0.94 0.02 0.93 -1.16 0.00 0.00 179.01 179.67 2qee h GLU 395 N 1.12 0.90 -0.38 2.33 5.08 -1.76 -1.77 114.58 120.09 2qee h GLU 395 Ca 0.25 -0.28 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 2qee h GLU 395 Cb 0.23 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 2qee h GLU 395 CO -0.02 0.91 0.22 0.82 -1.00 0.00 0.00 179.01 179.94 2qee h ILE 396 N 0.77 1.02 -0.76 3.13 2.04 -1.02 -0.54 117.51 122.15 2qee h ILE 396 Ca 0.15 -0.15 0.08 0.00 1.00 0.00 0.00 64.86 65.94 2qee h ILE 396 Cb 0.50 0.55 -0.07 0.00 -0.74 0.00 0.00 36.82 37.06 2qee h ILE 396 CO 0.02 0.08 0.43 0.11 0.00 0.00 0.00 178.15 178.79 2qee h LYS 397 N 0.44 0.72 0.16 2.37 1.57 -0.78 -0.07 116.57 120.98 2qee h LYS 397 Ca 0.15 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 2qee h LYS 397 Cb 0.02 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.17 2qee h LYS 397 CO -0.08 0.48 -0.08 -0.09 -0.57 0.00 0.00 179.45 179.11 2qee h ARG 398 N 0.74 -0.21 -0.72 3.15 2.43 -1.02 -0.52 114.38 118.23 2qee h ARG 398 Ca 0.36 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.54 2qee h ARG 398 Cb 0.30 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.86 2qee h ARG 398 CO -0.23 -0.05 0.45 -0.44 -1.51 0.00 0.00 179.97 178.20 2qee h ASP 399 N -0.32 0.86 -0.57 -3.80 3.32 -0.76 -0.92 116.42 114.23 2qee h ASP 399 Ca -0.02 -0.05 -0.05 0.00 0.02 0.00 0.00 57.03 56.93 2qee h ASP 399 Cb 0.25 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 2qee h ASP 399 CO 0.04 0.65 0.17 0.58 -1.72 0.00 0.00 179.24 178.96 2qee h VAL 400 N 0.99 1.24 -0.99 -1.35 2.07 -0.91 -1.36 116.25 115.93 2qee h VAL 400 Ca 0.26 -0.81 0.04 0.00 0.82 0.00 0.00 66.70 67.01 2qee h VAL 400 Cb -0.06 0.69 -0.06 0.00 -1.52 0.00 0.00 31.29 30.34 2qee h VAL 400 CO -0.05 0.30 0.65 0.00 0.02 0.00 0.00 177.57 178.49 2qee h ALA 401 N 1.04 1.37 -0.06 1.67 0.00 -0.66 -1.25 119.26 121.38 2qee h ALA 401 Ca 0.18 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2qee h ALA 401 Cb 0.29 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2qee h ALA 401 CO -0.01 0.52 0.03 -0.44 0.00 0.00 0.00 179.25 179.36 2qee h ASP 402 N 1.23 0.07 -0.40 0.00 3.32 -0.65 0.16 116.42 120.15 2qee h ASP 402 Ca 0.40 -0.07 0.01 0.00 0.02 0.00 0.00 57.03 57.39 2qee h ASP 402 Cb 0.05 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 2qee h ASP 402 CO -0.14 0.12 0.26 -0.07 -1.72 0.00 0.00 179.24 177.69 2qee h LEU 403 N 0.02 0.44 0.00 1.55 3.38 -0.87 -0.15 115.31 119.68 2qee h LEU 403 Ca 0.02 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2qee h LEU 403 Cb 0.06 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2qee h LEU 403 CO -0.00 0.32 -0.81 0.49 0.09 0.00 0.00 178.44 178.52 2qee n PHE 404 N -4.82 0.14 0.14 1.13 3.72 -0.51 -4.17 117.46 113.09 2qee n PHE 404 Ca 0.01 0.04 0.00 0.00 -0.05 0.00 0.00 57.45 57.45 2qee n PHE 404 Cb 0.04 -0.30 0.00 0.00 -0.94 0.00 0.00 39.48 38.27 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 -1.72 -1.96 0.16 4.37 2.88 -0.36 -1.36 113.62 115.63 2qee n SER 405 Ca 0.04 0.53 0.01 0.00 -1.33 0.00 0.00 58.87 58.12 2qee n SER 405 Cb 0.38 1.97 0.33 0.00 -0.75 0.00 0.00 64.21 66.14 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 0.08 -0.53 -1.46 3.08 -0.68 -2.50 114.38 112.38 2qee h ARG 406 Ca 0.00 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 59.95 2qee h ARG 406 Cb 0.00 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 2qee h ARG 406 CO 0.00 0.43 0.05 -0.91 -1.07 0.00 0.00 179.97 178.47 2qee h ASN 407 N 0.07 0.82 0.23 7.04 2.35 -1.24 0.12 115.58 124.98 2qee h ASN 407 Ca 0.01 -0.19 -0.01 0.00 -0.55 0.00 0.00 56.30 55.56 2qee h ASN 407 Cb 0.66 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.82 2qee h ASN 407 CO 0.05 0.85 -0.11 0.15 -1.65 0.00 0.00 177.43 176.72 2qee h PHE 408 N 0.81 -0.29 -0.19 1.19 3.57 -1.68 -1.82 116.94 118.54 2qee h PHE 408 Ca 0.16 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.56 2qee h PHE 408 Cb 0.41 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 2qee h PHE 408 CO 0.02 0.01 -0.30 -1.49 -2.23 0.00 0.00 178.31 174.32 2qee h TRP 409 N -0.58 0.41 -0.84 0.41 4.06 -1.24 -0.59 115.95 117.58 2qee h TRP 409 Ca -0.03 -0.09 -0.02 0.00 2.06 0.00 0.00 58.89 60.80 2qee h TRP 409 Cb 0.42 -0.10 -0.04 0.00 -1.00 0.00 0.00 29.16 28.44 2qee h TRP 409 CO 0.01 0.63 0.44 -0.09 -3.56 0.00 0.00 178.44 175.87 2qee h ARG 410 N 0.32 1.20 -0.05 0.49 2.43 -0.75 -0.39 114.38 117.62 2qee h ARG 410 Ca 0.04 -0.16 -0.23 0.00 -0.81 0.00 0.00 59.98 58.82 2qee h ARG 410 Cb 0.69 -0.23 0.01 0.00 -0.42 0.00 0.00 29.97 30.03 2qee h ARG 410 CO 0.05 0.90 -0.91 0.35 -1.51 0.00 0.00 179.97 178.85 2qee h PHE 411 N 1.19 0.86 0.00 2.20 3.57 -0.41 -3.06 116.94 121.29 2qee h PHE 411 Ca 0.29 -0.43 0.00 0.00 3.53 0.00 0.00 57.97 61.36 2qee h PHE 411 Cb 0.07 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.70 2qee h PHE 411 CO 0.01 1.25 0.00 -0.39 -2.23 0.00 0.00 178.31 176.95 2qee h VAL 412 N 0.37 0.00 -2.70 1.41 -1.51 -1.10 -3.46 116.25 109.26 2qee h VAL 412 Ca -0.08 -0.92 -0.06 0.00 -1.23 0.00 0.00 66.70 64.42 2qee h VAL 412 Cb 1.54 1.92 0.03 0.00 -2.13 0.00 0.00 31.29 32.64 2qee h VAL 412 CO 0.17 0.00 -0.13 0.61 -1.23 0.00 0.00 177.57 176.99 2qee n GLY 413 N 0.93 0.33 0.00 5.19 0.00 -0.30 -4.78 105.19 106.55 2qee n GLY 413 Ca 0.03 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.70 2qee n GLY 413 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2qee n ARG 414 N -1.56 0.00 0.00 1.61 0.63 -0.37 -5.05 116.66 111.92 2qee n ARG 414 Ca -0.05 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.88 2qee n ARG 414 Cb 0.53 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.44 2qee n ARG 414 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41