#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qee s LEU 1 N 0.00 4.53 0.81 -3.43 1.43 -1.26 -5.08 118.68 115.69 2qee s LEU 1 Ca 0.00 1.36 -0.10 0.00 -1.03 0.00 0.00 54.13 54.35 2qee s LEU 1 Cb 0.00 -3.01 0.08 0.00 0.03 0.00 0.00 46.19 43.30 2qee s LEU 1 CO 0.00 0.24 1.11 -0.94 0.23 0.00 0.00 176.35 176.99 2qee s SER 2 N -1.02 4.05 -0.54 2.29 1.04 -1.26 -4.93 113.70 113.33 2qee s SER 2 Ca 0.31 1.92 -0.24 0.00 0.48 0.00 0.00 55.95 58.42 2qee s SER 2 Cb -0.20 -2.53 0.04 0.00 0.10 0.00 0.00 66.02 63.42 2qee s SER 2 CO 0.21 -2.34 0.93 -0.63 0.98 0.00 0.00 173.24 172.39 2qee s ILE 3 N -2.83 4.41 -0.20 -1.02 1.01 -1.26 -4.86 121.20 116.44 2qee s ILE 3 Ca 0.63 0.33 0.19 0.00 0.00 0.00 0.00 60.65 61.79 2qee s ILE 3 Cb -0.19 -4.52 -0.00 0.00 0.01 0.00 0.00 42.46 37.76 2qee s ILE 3 CO 0.57 -1.07 1.11 -0.55 0.00 0.00 0.00 174.94 174.99 2qee h ASN 4 N 9.28 0.00 -5.19 3.58 -1.07 -1.97 -3.48 115.58 116.72 2qee h ASN 4 Ca -0.26 0.00 -0.09 0.00 0.07 0.00 0.00 56.30 56.02 2qee h ASN 4 Cb 1.07 0.00 -0.13 0.00 -2.07 0.00 0.00 38.32 37.19 2qee h ASN 4 CO 1.08 0.32 -0.33 -0.94 0.07 0.00 0.00 177.43 177.63 2qee s SER 5 N -5.84 0.06 0.29 6.14 1.04 -1.26 -5.03 113.70 109.11 2qee s SER 5 Ca 0.00 -0.72 0.00 0.00 0.48 0.00 0.00 55.95 55.72 2qee s SER 5 Cb 0.08 0.39 0.43 0.00 0.10 0.00 0.00 66.02 67.02 2qee s SER 5 CO 0.78 -0.80 1.80 -0.09 0.98 0.00 0.00 173.24 175.91 2qee h ARG 6 N 2.64 0.69 -0.48 4.02 2.43 -1.98 0.12 114.38 121.82 2qee h ARG 6 Ca -0.33 -0.17 0.02 0.00 -0.81 0.00 0.00 59.98 58.69 2qee h ARG 6 Cb 1.21 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.65 2qee h ARG 6 CO 0.52 0.70 0.29 0.93 -1.51 0.00 0.00 179.97 180.91 2qee h GLU 7 N 0.65 0.57 -0.31 0.20 3.07 -1.99 0.27 114.58 117.04 2qee h GLU 7 Ca 0.13 -0.03 -0.06 0.00 -0.50 0.00 0.00 59.36 58.90 2qee h GLU 7 Cb 0.40 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.17 2qee h GLU 7 CO 0.02 0.38 -0.04 0.28 -1.40 0.00 0.00 179.01 178.24 2qee h VAL 8 N 0.59 1.27 -0.73 3.13 2.07 -1.91 -2.73 116.25 117.94 2qee h VAL 8 Ca 0.19 -1.05 0.15 0.00 0.82 0.00 0.00 66.70 66.81 2qee h VAL 8 Cb -0.00 1.34 -0.10 0.00 -1.52 0.00 0.00 31.29 31.00 2qee h VAL 8 CO -0.08 0.34 0.21 0.25 0.02 0.00 0.00 177.57 178.31 2qee h LEU 9 N 0.35 0.08 -0.74 2.57 5.85 -0.71 -1.46 115.31 121.24 2qee h LEU 9 Ca 0.08 0.14 -0.08 0.00 0.84 0.00 0.00 57.88 58.86 2qee h LEU 9 Cb 0.51 0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.68 2qee h LEU 9 CO 0.02 -0.00 0.10 0.00 -0.34 0.00 0.00 178.44 178.22 2qee h ALA 10 N 1.59 0.96 -0.33 1.25 0.00 -0.76 0.54 119.26 122.50 2qee h ALA 10 Ca 0.41 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 2qee h ALA 10 Cb 0.68 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2qee h ALA 10 CO -0.48 0.65 -0.08 0.93 0.00 0.00 0.00 179.25 180.27 2qee h GLU 11 N 0.99 0.63 -0.84 0.00 4.39 -1.13 -0.60 114.58 118.02 2qee h GLU 11 Ca 0.20 -0.24 -0.03 0.00 0.34 0.00 0.00 59.36 59.62 2qee h GLU 11 Cb 0.43 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.01 2qee h GLU 11 CO 0.01 0.81 0.39 0.87 -1.16 0.00 0.00 179.01 179.93 2qee h LYS 12 N 0.41 1.22 -0.16 2.33 1.57 -0.82 -1.29 116.57 119.84 2qee h LYS 12 Ca 0.08 -0.19 -0.08 0.00 -1.87 0.00 0.00 60.65 58.59 2qee h LYS 12 Cb 0.58 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 2qee h LYS 12 CO 0.03 0.95 -0.22 0.28 -0.57 0.00 0.00 179.45 179.92 2qee h VAL 13 N 1.21 1.35 -0.87 0.50 2.07 -0.70 -1.43 116.25 118.38 2qee h VAL 13 Ca 0.29 -1.44 -0.00 0.00 0.82 0.00 0.00 66.70 66.37 2qee h VAL 13 Cb 0.14 1.92 -0.04 0.00 -1.52 0.00 0.00 31.29 31.78 2qee h VAL 13 CO -0.03 0.43 0.53 0.11 0.02 0.00 0.00 177.57 178.63 2qee h LYS 14 N 0.05 1.17 -0.25 1.57 1.57 -1.02 0.98 116.57 120.65 2qee h LYS 14 Ca 0.02 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 2qee h LYS 14 Cb 0.79 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 2qee h LYS 14 CO 0.05 0.81 0.12 -0.91 -0.57 0.00 0.00 179.45 178.95 2qee h ASN 15 N 1.18 0.32 0.08 0.86 -0.26 -1.21 0.98 115.58 117.53 2qee h ASN 15 Ca 0.31 -0.12 -0.00 0.00 -0.56 0.00 0.00 56.30 55.93 2qee h ASN 15 Cb -0.07 -0.08 0.00 0.00 -1.06 0.00 0.00 38.32 37.11 2qee h ASN 15 CO -0.06 0.35 -0.04 0.00 -1.06 0.00 0.00 177.43 176.61 2qee h ALA 16 N 0.99 -0.11 -0.11 -0.83 0.00 -0.79 0.48 119.26 118.89 2qee h ALA 16 Ca 0.08 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.94 2qee h ALA 16 Cb 0.11 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2qee h ALA 16 CO -0.01 -0.51 0.02 0.28 0.00 0.00 0.00 179.25 179.03 2qee h VAL 17 N -0.21 0.96 -0.76 0.00 2.07 -0.76 -1.74 116.25 115.81 2qee h VAL 17 Ca -0.01 -0.03 0.01 0.00 0.82 0.00 0.00 66.70 67.49 2qee h VAL 17 Cb 0.18 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 2qee h VAL 17 CO 0.02 0.01 0.50 0.78 0.02 0.00 0.00 177.57 178.91 2qee h ASN 18 N 0.07 0.87 1.35 0.57 2.35 -0.61 -2.88 115.58 117.31 2qee h ASN 18 Ca 0.05 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 2qee h ASN 18 Cb 0.04 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.19 2qee h ASN 18 CO -0.06 0.62 0.00 0.78 -1.65 0.00 0.00 177.43 177.12 2qee h ASN 19 N 1.02 0.00 -2.96 5.81 2.35 -0.74 -3.45 115.58 117.61 2qee h ASN 19 Ca 0.28 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.47 2qee h ASN 19 Cb -0.10 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.23 2qee h ASN 19 CO -0.07 0.00 0.85 -1.58 -1.65 0.00 0.00 177.43 174.98 2qee s GLN 20 N -3.16 4.26 0.31 0.81 2.00 -0.67 -4.98 119.66 118.23 2qee s GLN 20 Ca 0.09 1.63 -0.29 0.00 -2.00 0.00 0.00 55.36 54.78 2qee s GLN 20 Cb 0.11 -3.71 -0.11 0.00 0.80 0.00 0.00 33.01 30.10 2qee s GLN 20 CO 0.56 -0.65 1.45 -2.14 -0.50 0.00 0.00 175.29 174.02 2qee s PRO 21 N 3.23 4.22 -0.14 1.67 0.02 -1.26 -4.92 135.00 137.82 2qee s PRO 21 Ca 0.54 2.41 -0.12 0.00 0.02 0.00 0.00 61.00 63.85 2qee s PRO 21 Cb -0.21 -3.05 -0.05 0.00 0.02 0.00 0.00 34.50 31.21 2qee s PRO 21 CO 0.15 -0.44 0.24 0.08 -0.33 0.00 0.00 177.00 176.70 2qee s VAL 22 N -0.51 5.33 -0.27 3.83 1.01 0.80 -4.66 120.40 125.94 2qee s VAL 22 Ca 0.56 0.44 -0.14 0.00 0.00 0.00 0.00 61.98 62.84 2qee s VAL 22 Cb -0.44 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 2qee s VAL 22 CO 0.51 0.48 0.34 -0.89 0.00 0.00 0.00 175.10 175.54 2qee s THR 23 N -0.12 5.20 -0.52 3.92 2.01 -0.54 -0.60 115.64 124.99 2qee s THR 23 Ca 0.15 0.50 -0.18 0.00 0.31 0.00 0.00 61.69 62.48 2qee s THR 23 Cb -0.13 -3.67 0.07 0.00 0.01 0.00 0.00 72.50 68.78 2qee s THR 23 CO 0.04 0.18 0.60 -0.62 -0.69 0.00 0.00 174.62 174.13 2qee s ASP 24 N 1.61 6.20 0.00 3.53 -1.08 0.45 -4.71 116.67 122.68 2qee s ASP 24 Ca 0.14 -1.10 0.24 0.00 -0.52 0.00 0.00 52.55 51.31 2qee s ASP 24 Cb -0.16 -2.27 1.08 0.00 -1.46 0.00 0.00 42.92 40.11 2qee s ASP 24 CO 0.10 -0.90 1.74 1.15 0.52 0.00 0.00 175.17 177.78 2qee n MET 25 N 6.03 1.46 -3.34 4.34 0.00 -1.26 -0.96 117.12 123.39 2qee n MET 25 Ca -0.08 -0.68 -0.04 0.00 0.00 0.00 0.00 57.70 56.90 2qee n MET 25 Cb 0.44 -1.41 -0.05 0.00 0.00 0.00 0.00 33.22 32.19 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 -1.92 -1.13 0.27 3.17 5.65 -1.26 -4.72 115.29 115.35 2qee s HIS 26 Ca 0.35 1.33 0.02 0.00 0.25 0.00 0.00 55.06 57.01 2qee s HIS 26 Cb 0.18 0.30 -0.04 0.00 -1.18 0.00 0.00 32.58 31.84 2qee s HIS 26 CO 0.29 -0.74 0.14 0.95 -0.65 0.00 0.00 174.74 174.72 2qee s THR 27 N 2.69 0.32 -0.46 0.89 -4.23 -0.34 -0.94 115.64 113.57 2qee s THR 27 Ca 0.12 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.67 2qee s THR 27 Cb -0.15 -2.55 0.45 0.00 1.34 0.00 0.00 72.50 71.60 2qee s THR 27 CO -0.17 0.00 1.56 1.41 -0.54 0.00 0.00 174.62 176.87 2qee n HIS 28 N -0.48 2.97 -3.85 3.99 8.25 0.71 -2.28 115.22 124.54 2qee n HIS 28 Ca 0.01 -2.58 -0.21 0.00 -0.26 0.00 0.00 57.72 54.68 2qee n HIS 28 Cb 0.65 -0.82 -0.02 0.00 1.12 0.00 0.00 29.99 30.92 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 -3.70 4.04 0.04 2.41 1.43 -1.21 -4.61 118.68 117.08 2qee s LEU 29 Ca 0.57 -0.13 0.03 0.00 -1.03 0.00 0.00 54.13 53.57 2qee s LEU 29 Cb 0.45 -2.65 -0.02 0.00 0.03 0.00 0.00 46.19 44.00 2qee s LEU 29 CO 0.01 -0.19 -0.09 -0.36 0.23 0.00 0.00 176.35 175.94 2qee s PHE 30 N -2.10 0.81 0.15 0.29 0.08 -1.26 -4.35 117.98 111.60 2qee s PHE 30 Ca 0.38 -0.44 -0.33 0.00 0.12 0.00 0.00 56.93 56.65 2qee s PHE 30 Cb -0.09 -0.48 -0.16 0.00 -0.57 0.00 0.00 43.02 41.72 2qee s PHE 30 CO 0.28 -0.04 1.15 0.45 -0.10 0.00 0.00 175.22 176.97 2qee n SER 31 N 1.60 1.17 0.30 1.36 2.88 -1.26 -4.77 113.62 114.90 2qee n SER 31 Ca -0.21 1.14 0.19 0.00 -1.33 0.00 0.00 58.87 58.66 2qee n SER 31 Cb 0.55 -1.18 0.94 0.00 -0.75 0.00 0.00 64.21 63.77 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 3.37 0.00 0.00 -1.46 0.13 -1.93 -0.94 132.00 131.17 2qee h PRO 32 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2qee h PRO 32 Cb 1.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.48 2qee h PRO 32 CO 0.70 0.02 0.00 0.27 -0.23 0.00 0.00 178.00 178.76 2qee n ASN 33 N -3.19 0.00 -0.64 1.44 6.94 -1.26 -1.32 115.26 117.22 2qee n ASN 33 Ca -0.01 -0.28 0.13 0.00 -0.02 0.00 0.00 54.58 54.39 2qee n ASN 33 Cb 0.19 -0.06 0.33 0.00 -2.36 0.00 0.00 39.78 37.88 2qee n ASN 33 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 2qee n PHE 34 N -1.06 0.00 -3.10 -2.53 3.01 -0.36 -5.05 117.46 108.38 2qee n PHE 34 Ca 0.08 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.54 2qee n PHE 34 Cb 0.05 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.51 2qee n PHE 34 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2qee n GLY 35 N 1.26 -0.15 0.00 1.37 0.00 -0.44 -4.33 105.19 102.91 2qee n GLY 35 Ca 0.16 -1.24 0.06 0.00 0.00 0.00 0.00 46.02 45.00 2qee n GLY 35 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2qee n GLU 36 N 2.00 0.05 0.25 1.61 -0.58 -1.26 -2.11 120.64 120.60 2qee n GLU 36 Ca 0.00 0.25 0.15 0.00 -0.42 0.00 0.00 57.16 57.14 2qee n GLU 36 Cb 0.00 -1.50 0.54 0.00 -0.57 0.00 0.00 31.44 29.91 2qee n GLU 36 CO 0.00 0.00 0.00 -0.84 -0.48 0.00 0.00 177.13 175.81 2qee h ILE 37 N 0.00 0.13 -2.49 -3.67 3.07 -1.97 -3.38 117.51 109.20 2qee h ILE 37 Ca 0.00 -0.76 -0.54 0.00 1.55 0.00 0.00 64.86 65.12 2qee h ILE 37 Cb 0.19 1.67 -0.04 0.00 -0.27 0.00 0.00 36.82 38.37 2qee h ILE 37 CO 0.00 0.05 1.25 -0.22 -1.05 0.00 0.00 178.15 178.18 2qee s LEU 38 N -6.31 3.40 0.15 0.16 2.96 -0.90 -4.81 118.68 113.34 2qee s LEU 38 Ca 0.02 0.65 -0.24 0.00 -0.22 0.00 0.00 54.13 54.34 2qee s LEU 38 Cb 0.08 -3.03 -0.08 0.00 0.50 0.00 0.00 46.19 43.67 2qee s LEU 38 CO 0.59 -1.94 0.74 -0.76 -1.32 0.00 0.00 176.35 173.66 2qee s LEU 39 N 7.42 4.58 0.02 -0.68 1.43 -1.26 -5.00 118.68 125.18 2qee s LEU 39 Ca 0.67 1.58 -0.28 0.00 -1.03 0.00 0.00 54.13 55.07 2qee s LEU 39 Cb -0.15 -3.24 0.09 0.00 0.03 0.00 0.00 46.19 42.92 2qee s LEU 39 CO 0.27 0.22 0.79 -1.66 0.23 0.00 0.00 176.35 176.20 2qee s TRP 40 N -1.15 -0.44 0.00 0.29 1.48 -1.26 -0.92 118.94 116.94 2qee s TRP 40 Ca 0.35 0.40 0.00 0.00 -1.06 0.00 0.00 56.10 55.79 2qee s TRP 40 Cb -0.22 0.52 0.00 0.00 -1.16 0.00 0.00 33.47 32.61 2qee s TRP 40 CO 0.25 -0.61 0.00 -0.40 -4.06 0.00 0.00 176.95 172.12 2qee n ASP 41 N -0.03 0.00 -0.11 -2.66 5.68 -1.26 -4.61 116.55 113.56 2qee n ASP 41 Ca -0.12 0.00 -0.05 0.00 -0.50 0.00 0.00 54.79 54.11 2qee n ASP 41 Cb 0.62 0.00 0.14 0.00 -1.14 0.00 0.00 41.12 40.73 2qee n ASP 41 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 2qee h ILE 42 N 0.00 1.25 -0.45 2.12 6.09 -1.95 -0.44 117.51 124.14 2qee h ILE 42 Ca 0.00 -1.10 -0.08 0.00 -1.37 0.00 0.00 64.86 62.31 2qee h ILE 42 Cb 0.00 0.96 -0.02 0.00 0.47 0.00 0.00 36.82 38.23 2qee h ILE 42 CO 0.00 0.38 -0.06 0.44 -3.07 0.00 0.00 178.15 175.84 2qee h ASP 43 N 0.73 0.75 -0.43 2.19 3.32 -1.95 -0.59 116.42 120.43 2qee h ASP 43 Ca 0.13 -0.20 -0.06 0.00 0.02 0.00 0.00 57.03 56.92 2qee h ASP 43 Cb 0.53 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 2qee h ASP 43 CO 0.03 0.85 0.04 -0.33 -1.72 0.00 0.00 179.24 178.12 2qee h GLU 44 N 0.71 0.73 -0.28 3.56 4.39 -1.67 -2.12 114.58 119.90 2qee h GLU 44 Ca 0.13 -0.21 0.04 0.00 0.34 0.00 0.00 59.36 59.65 2qee h GLU 44 Cb 0.52 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.06 2qee h GLU 44 CO 0.03 0.78 0.07 -0.07 -1.16 0.00 0.00 179.01 178.66 2qee h LEU 45 N 0.58 0.04 -0.98 1.33 3.38 -0.80 -1.89 115.31 116.98 2qee h LEU 45 Ca 0.13 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 2qee h LEU 45 Cb 0.42 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 2qee h LEU 45 CO 0.01 0.06 -0.13 -0.07 0.09 0.00 0.00 178.44 178.40 2qee h LEU 46 N 0.18 0.00 -2.25 1.67 3.38 -1.06 -3.13 115.31 114.09 2qee h LEU 46 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2qee h LEU 46 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2qee h LEU 46 CO -0.16 0.13 0.00 0.35 0.09 0.00 0.00 178.44 178.86 2qee n THR 47 N -3.23 0.40 -1.41 0.22 -2.24 -0.80 -4.66 114.28 102.56 2qee n THR 47 Ca 0.01 -0.70 -0.48 0.00 -2.27 0.00 0.00 64.05 60.61 2qee n THR 47 Cb 0.43 1.09 -0.03 0.00 -2.10 0.00 0.00 70.33 69.71 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 1.48 -0.40 0.24 4.78 9.36 -0.74 -4.64 117.16 127.24 2qee n TYR 48 Ca 0.18 0.97 0.09 0.00 3.32 0.00 0.00 57.90 62.46 2qee n TYR 48 Cb 0.61 -1.97 0.61 0.00 -0.63 0.00 0.00 39.34 37.96 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 1.11 0.00 -0.91 2.98 2.07 -1.92 -0.66 115.15 117.82 2qee h HIS 49 Ca -0.29 0.00 0.11 0.00 -2.85 0.00 0.00 60.37 57.34 2qee h HIS 49 Cb 1.44 0.00 -0.08 0.00 2.57 0.00 0.00 27.41 31.34 2qee h HIS 49 CO 0.43 0.17 0.55 1.88 -3.07 0.00 0.00 177.93 177.89 2qee h TYR 50 N 0.00 0.99 0.00 6.12 -1.99 -1.93 -1.44 116.97 118.71 2qee h TYR 50 Ca -0.00 0.03 -0.20 0.00 2.00 0.00 0.00 58.73 60.56 2qee h TYR 50 Cb 0.39 -0.31 -0.03 0.00 2.00 0.00 0.00 36.73 38.79 2qee h TYR 50 CO 0.00 0.39 -0.95 -0.07 -0.00 0.00 0.00 178.16 177.53 2qee h LEU 51 N 0.88 0.00 -0.16 3.88 3.38 -1.44 -2.78 115.31 119.07 2qee h LEU 51 Ca 0.45 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.47 2qee h LEU 51 Cb 0.43 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.13 2qee h LEU 51 CO -0.26 0.95 -0.18 0.58 0.09 0.00 0.00 178.44 179.61 2qee h VAL 52 N 0.00 0.52 -0.46 1.22 2.07 -0.83 0.90 116.25 119.67 2qee h VAL 52 Ca -0.01 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.60 2qee h VAL 52 Cb 1.72 0.52 -0.09 0.00 -1.52 0.00 0.00 31.29 31.92 2qee h VAL 52 CO 0.12 0.00 -0.14 0.00 0.02 0.00 0.00 177.57 177.57 2qee h ALA 53 N 0.83 0.25 -0.48 1.67 0.00 -1.24 -1.60 119.26 118.70 2qee h ALA 53 Ca 0.11 0.17 -0.14 0.00 0.00 0.00 0.00 54.91 55.06 2qee h ALA 53 Cb 0.38 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2qee h ALA 53 CO -0.29 -0.48 -0.24 0.93 0.00 0.00 0.00 179.25 179.18 2qee h GLU 54 N -0.03 1.00 -0.37 0.00 5.08 -1.20 -2.95 114.58 116.11 2qee h GLU 54 Ca 0.22 -0.44 -0.10 0.00 -1.00 0.00 0.00 59.36 58.04 2qee h GLU 54 Cb 0.37 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 2qee h GLU 54 CO -0.49 1.12 -0.18 -0.24 -1.00 0.00 0.00 179.01 178.22 2qee h VAL 55 N 0.86 1.26 0.00 3.13 3.04 -0.55 -2.43 116.25 121.56 2qee h VAL 55 Ca 0.11 -1.23 -0.01 0.00 -1.01 0.00 0.00 66.70 64.56 2qee h VAL 55 Cb 0.82 1.17 -0.00 0.00 -2.01 0.00 0.00 31.29 31.27 2qee h VAL 55 CO 0.07 0.41 -0.04 0.24 -1.01 0.00 0.00 177.57 177.24 2qee h MET 56 N 0.61 0.00 0.00 4.17 2.86 -1.13 0.07 114.93 121.51 2qee h MET 56 Ca 0.10 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 2qee h MET 56 Cb 0.64 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.30 2qee h MET 56 CO 0.05 0.04 0.00 0.00 1.06 0.00 0.00 176.91 178.05 2qee h ARG 57 N 0.00 0.00 0.00 1.72 3.08 -1.32 -3.37 114.38 114.48 2qee h ARG 57 Ca -0.00 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.94 2qee h ARG 57 Cb 0.23 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 2qee h ARG 57 CO 0.01 0.00 -1.40 0.91 -1.07 0.00 0.00 179.97 178.41 2qee n TRP 58 N -2.60 0.00 -2.50 3.04 7.02 -0.13 -5.07 117.44 117.20 2qee n TRP 58 Ca 0.02 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.16 2qee n TRP 58 Cb 0.28 -0.27 -0.03 0.00 -2.42 0.00 0.00 31.31 28.87 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 -2.14 3.71 -0.44 -0.99 -1.32 -0.38 -4.96 115.64 109.12 2qee s THR 59 Ca -0.10 1.06 0.23 0.00 -1.21 0.00 0.00 61.69 61.67 2qee s THR 59 Cb 0.03 -3.43 0.21 0.00 -1.51 0.00 0.00 72.50 67.81 2qee s THR 59 CO 0.15 -0.23 1.45 0.44 -2.21 0.00 0.00 174.62 174.22 2qee h ASP 60 N 1.49 0.00 -2.93 8.08 3.32 -1.93 -3.47 116.42 120.98 2qee h ASP 60 Ca -0.50 -0.02 -0.53 0.00 0.02 0.00 0.00 57.03 56.00 2qee h ASP 60 Cb 1.23 0.00 0.07 0.00 0.22 0.00 0.00 39.33 40.85 2qee h ASP 60 CO 0.59 0.01 0.93 0.52 -1.72 0.00 0.00 179.24 179.56 2qee n VAL 61 N -2.79 0.52 -2.06 -1.35 0.31 -1.26 -4.98 118.33 106.72 2qee n VAL 61 Ca 0.03 -0.13 -0.33 0.00 -0.01 0.00 0.00 64.34 63.90 2qee n VAL 61 Cb 0.51 -1.94 0.01 0.00 -0.91 0.00 0.00 33.84 31.52 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 0.81 5.83 0.24 4.52 1.04 -1.26 -4.84 113.70 120.03 2qee s SER 62 Ca 0.70 1.80 -0.05 0.00 0.48 0.00 0.00 55.95 58.88 2qee s SER 62 Cb -0.51 -2.53 0.36 0.00 0.10 0.00 0.00 66.02 63.44 2qee s SER 62 CO 0.41 -1.14 1.83 -0.29 0.98 0.00 0.00 173.24 175.03 2qee h ILE 63 N 0.45 0.96 -0.44 -1.02 6.09 -1.96 0.26 117.51 121.84 2qee h ILE 63 Ca -0.47 -0.29 -0.09 0.00 -1.37 0.00 0.00 64.86 62.64 2qee h ILE 63 Cb 1.22 0.04 -0.01 0.00 0.47 0.00 0.00 36.82 38.53 2qee h ILE 63 CO 0.58 0.16 -0.08 -0.33 -3.07 0.00 0.00 178.15 175.41 2qee h GLU 64 N 0.85 0.83 -0.82 2.19 3.07 -1.92 -0.57 114.58 118.21 2qee h GLU 64 Ca 0.38 -0.30 0.04 0.00 -0.50 0.00 0.00 59.36 58.98 2qee h GLU 64 Cb 0.28 -0.05 -0.05 0.00 -0.84 0.00 0.00 28.75 28.08 2qee h GLU 64 CO -0.21 0.93 0.52 0.00 -1.40 0.00 0.00 179.01 178.84 2qee h ALA 65 N 0.87 1.09 -0.49 3.43 0.00 -1.82 -0.05 119.26 122.29 2qee h ALA 65 Ca 0.11 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.02 2qee h ALA 65 Cb 0.60 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2qee h ALA 65 CO 0.04 0.31 0.30 0.35 0.00 0.00 0.00 179.25 180.24 2qee h PHE 66 N 0.98 0.56 0.00 0.00 3.57 -0.15 -2.49 116.94 119.40 2qee h PHE 66 Ca 0.34 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.79 2qee h PHE 66 Cb 0.06 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 2qee h PHE 66 CO -0.03 0.32 -0.32 -1.49 -2.23 0.00 0.00 178.31 174.57 2qee h TRP 67 N 0.60 0.00 0.00 0.41 -0.00 -0.26 -2.66 115.95 114.03 2qee h TRP 67 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 59.08 2qee h TRP 67 Cb 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.17 2qee h TRP 67 CO -0.06 0.32 0.00 0.00 -0.00 0.00 0.00 178.44 178.69 2qee h ALA 68 N 1.68 1.00 -2.34 1.49 0.00 -0.58 -3.46 119.26 117.06 2qee h ALA 68 Ca -0.00 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.41 2qee h ALA 68 Cb 0.66 0.00 0.07 0.00 0.00 0.00 0.00 17.79 18.52 2qee h ALA 68 CO 0.04 0.00 0.37 -1.64 0.00 0.00 0.00 179.25 178.03 2qee s MET 69 N -3.43 3.19 0.87 0.00 -1.94 -1.01 -5.04 119.30 111.96 2qee s MET 69 Ca 0.04 1.10 -0.11 0.00 -1.71 0.00 0.00 55.69 55.01 2qee s MET 69 Cb 0.09 -2.02 0.12 0.00 2.01 0.00 0.00 34.83 35.03 2qee s MET 69 CO 0.51 -0.90 1.10 -1.54 -0.01 0.00 0.00 175.02 174.19 2qee s SER 70 N -3.19 3.51 0.30 3.03 1.04 -1.26 -4.80 113.70 112.33 2qee s SER 70 Ca 0.61 1.83 0.01 0.00 0.48 0.00 0.00 55.95 58.89 2qee s SER 70 Cb -0.15 -2.44 0.55 0.00 0.10 0.00 0.00 66.02 64.09 2qee s SER 70 CO 0.44 -2.67 1.90 0.50 0.98 0.00 0.00 173.24 174.38 2qee h LYS 71 N -1.57 0.97 -0.57 4.02 3.64 -1.96 -0.71 116.57 120.40 2qee h LYS 71 Ca -0.46 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 58.80 2qee h LYS 71 Cb 1.26 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.84 2qee h LYS 71 CO 0.49 0.64 0.12 -0.09 -2.27 0.00 0.00 179.45 178.34 2qee h ARG 72 N 1.00 0.92 -0.48 1.90 2.43 -1.93 0.20 114.38 118.42 2qee h ARG 72 Ca 0.41 -0.23 -0.07 0.00 -0.81 0.00 0.00 59.98 59.28 2qee h ARG 72 Cb 0.28 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 2qee h ARG 72 CO -0.17 0.87 0.03 0.93 -1.51 0.00 0.00 179.97 180.12 2qee h GLU 73 N 0.82 0.78 0.13 0.20 5.08 -1.81 -0.85 114.58 118.93 2qee h GLU 73 Ca 0.18 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2qee h GLU 73 Cb 0.38 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2qee h GLU 73 CO 0.01 0.77 -0.06 1.96 -1.00 0.00 0.00 179.01 180.68 2qee h GLN 74 N 0.73 -0.17 -0.90 2.33 4.20 -0.59 -1.83 115.11 118.88 2qee h GLN 74 Ca 0.15 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.87 2qee h GLN 74 Cb 0.40 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.18 2qee h GLN 74 CO 0.01 -0.11 0.55 0.00 -0.67 0.00 0.00 178.83 178.61 2qee h ALA 75 N 0.68 1.14 -0.75 3.87 0.00 -0.46 -1.46 119.26 122.28 2qee h ALA 75 Ca -0.02 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2qee h ALA 75 Cb 0.14 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 2qee h ALA 75 CO 0.03 0.59 0.38 -0.44 0.00 0.00 0.00 179.25 179.81 2qee h ASP 76 N 1.23 0.97 -0.26 0.00 3.32 -1.05 -0.88 116.42 119.74 2qee h ASP 76 Ca 0.32 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.23 2qee h ASP 76 Cb -0.06 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.23 2qee h ASP 76 CO -0.06 0.82 0.07 0.25 -1.72 0.00 0.00 179.24 178.60 2qee h LEU 77 N 1.05 0.39 -0.63 1.55 5.85 -0.90 -1.66 115.31 120.97 2qee h LEU 77 Ca 0.26 -0.22 -0.09 0.00 0.84 0.00 0.00 57.88 58.67 2qee h LEU 77 Cb 0.09 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 2qee h LEU 77 CO -0.04 0.51 0.04 0.40 -0.34 0.00 0.00 178.44 179.01 2qee h ILE 78 N 0.26 1.27 -0.00 4.05 2.04 -1.09 -1.17 117.51 122.85 2qee h ILE 78 Ca 0.08 -1.11 0.00 0.00 1.00 0.00 0.00 64.86 64.84 2qee h ILE 78 Cb 0.26 0.75 -0.00 0.00 -0.74 0.00 0.00 36.82 37.08 2qee h ILE 78 CO -0.00 0.41 -0.01 -0.25 0.00 0.00 0.00 178.15 178.29 2qee h TRP 79 N 0.99 -0.03 -0.52 1.37 2.91 -1.13 0.17 115.95 119.70 2qee h TRP 79 Ca 0.18 0.00 -0.02 0.00 1.13 0.00 0.00 58.89 60.18 2qee h TRP 79 Cb 0.52 0.02 -0.02 0.00 -0.51 0.00 0.00 29.16 29.16 2qee h TRP 79 CO 0.04 -0.02 0.23 1.49 -1.03 0.00 0.00 178.44 179.14 2qee h GLU 80 N -0.02 0.76 0.11 2.65 4.57 -1.07 -1.13 114.58 120.45 2qee h GLU 80 Ca 0.01 -0.13 -0.27 0.00 -1.18 0.00 0.00 59.36 57.79 2qee h GLU 80 Cb 0.03 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.49 2qee h GLU 80 CO -0.02 0.65 -1.21 0.93 -1.18 0.00 0.00 179.01 178.19 2qee h GLU 81 N 0.70 0.26 0.00 1.92 4.39 -1.12 0.92 114.58 121.64 2qee h GLU 81 Ca 0.18 -0.43 0.00 0.00 0.34 0.00 0.00 59.36 59.45 2qee h GLU 81 Cb 0.16 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 2qee h GLU 81 CO -0.02 1.20 -1.56 1.28 -1.16 0.00 0.00 179.01 178.75 2qee n LEU 82 N -3.53 0.18 -0.04 1.33 4.77 0.04 -3.77 117.00 115.97 2qee n LEU 82 Ca -0.08 -0.11 -0.05 0.00 -0.03 0.00 0.00 56.01 55.74 2qee n LEU 82 Cb 1.01 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 42.05 2qee n LEU 82 CO 0.53 0.05 -0.77 0.49 -1.33 0.00 0.00 177.39 176.36 2qee n PHE 83 N -1.94 0.00 -0.11 -1.77 3.72 -0.46 -3.35 117.46 113.55 2qee n PHE 83 Ca -0.02 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.13 2qee n PHE 83 Cb 0.41 -0.35 -0.11 0.00 -0.94 0.00 0.00 39.48 38.49 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 -2.53 1.55 0.22 4.37 2.08 -1.03 -4.32 119.36 119.70 2qee n ILE 84 Ca -0.14 -0.33 0.12 0.00 0.56 0.00 0.00 62.75 62.95 2qee n ILE 84 Cb 0.70 -1.85 0.24 0.00 -0.75 0.00 0.00 39.64 37.98 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 -0.76 0.00 -3.92 0.38 1.57 -0.99 -3.44 116.57 109.41 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 1.61 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 33.71 2qee h LYS 85 CO -0.27 0.07 -0.66 1.03 -0.57 0.00 0.00 179.45 179.05 2qee s ARG 86 N -3.27 0.37 0.24 3.15 3.00 -1.25 -5.04 118.95 116.16 2qee s ARG 86 Ca 0.05 -0.63 -0.30 0.00 0.00 0.00 0.00 55.73 54.86 2qee s ARG 86 Cb 0.06 0.14 -0.09 0.00 0.00 0.00 0.00 34.95 35.05 2qee s ARG 86 CO 0.66 -0.07 1.28 -1.12 0.00 0.00 0.00 175.30 176.05 2qee s SER 87 N -1.59 6.91 -1.30 0.23 0.01 -1.26 -3.42 113.70 113.27 2qee s SER 87 Ca -0.14 2.46 -0.11 0.00 1.31 0.00 0.00 55.95 59.48 2qee s SER 87 Cb -0.08 -2.62 -0.06 0.00 0.21 0.00 0.00 66.02 63.46 2qee s SER 87 CO -0.01 -0.48 2.48 -0.81 0.41 0.00 0.00 173.24 174.83 2qee n PRO 88 N 1.96 2.86 0.13 12.44 -0.04 -1.21 -4.62 135.00 146.51 2qee n PRO 88 Ca 0.04 -2.01 0.12 0.00 -0.04 0.00 0.00 63.50 61.61 2qee n PRO 88 Cb 0.43 -2.79 0.20 0.00 -0.04 0.00 0.00 33.50 31.30 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 3.45 0.00 -4.27 0.52 -1.51 -1.89 -3.12 116.25 109.43 2qee h VAL 89 Ca 0.67 -0.73 -0.52 0.00 -1.23 0.00 0.00 66.70 64.89 2qee h VAL 89 Cb 0.34 1.52 0.15 0.00 -2.13 0.00 0.00 31.29 31.17 2qee h VAL 89 CO 1.72 0.00 0.31 -0.94 -1.23 0.00 0.00 177.57 177.43 2qee s SER 90 N -5.08 4.16 0.21 4.19 1.04 -1.26 -4.72 113.70 112.24 2qee s SER 90 Ca 0.06 2.01 -0.09 0.00 0.48 0.00 0.00 55.95 58.41 2qee s SER 90 Cb 0.10 -2.55 0.25 0.00 0.10 0.00 0.00 66.02 63.92 2qee s SER 90 CO 0.69 -2.27 1.81 -0.08 0.98 0.00 0.00 173.24 174.37 2qee h GLU 91 N -1.03 0.71 -0.37 4.02 4.57 -1.97 0.18 114.58 120.69 2qee h GLU 91 Ca -0.44 -0.04 -0.10 0.00 -1.18 0.00 0.00 59.36 57.59 2qee h GLU 91 Cb 1.25 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 29.67 2qee h GLU 91 CO 0.49 0.47 -0.20 0.00 -1.18 0.00 0.00 179.01 178.59 2qee h ALA 92 N 1.35 0.96 -0.00 2.92 0.00 -1.95 0.50 119.26 123.04 2qee h ALA 92 Ca 0.31 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2qee h ALA 92 Cb 0.18 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2qee h ALA 92 CO -0.18 0.61 -0.02 0.00 0.00 0.00 0.00 179.25 179.66 2qee h ARG 94 N -0.60 0.01 -0.70 0.00 2.43 -0.58 -1.28 114.38 113.66 2qee h ARG 94 Ca -0.00 -0.00 0.14 0.00 -0.81 0.00 0.00 59.98 59.31 2qee h ARG 94 Cb 0.65 -0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 30.09 2qee h ARG 94 CO 0.00 0.01 0.19 0.78 -1.51 0.00 0.00 179.97 179.44 2qee h GLY 95 N 0.01 0.97 0.57 2.80 0.00 -0.68 -1.48 103.07 105.27 2qee h GLY 95 Ca 0.43 -0.06 0.05 0.00 0.00 0.00 0.00 47.33 47.76 2qee h GLY 95 CO -0.87 -0.15 0.08 -2.08 0.00 0.00 0.00 176.54 173.53 2qee h VAL 96 N 0.31 0.82 -0.63 4.60 2.07 -0.98 -1.54 116.25 120.90 2qee h VAL 96 Ca 0.38 -0.07 0.04 0.00 0.82 0.00 0.00 66.70 67.87 2qee h VAL 96 Cb 0.61 0.60 -0.05 0.00 -1.52 0.00 0.00 31.29 30.93 2qee h VAL 96 CO -0.45 0.04 0.37 -0.07 0.02 0.00 0.00 177.57 177.48 2qee h LEU 97 N 0.21 0.58 -1.08 2.57 3.38 -1.15 -1.76 115.31 118.07 2qee h LEU 97 Ca 0.18 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.17 2qee h LEU 97 Cb 0.20 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 2qee h LEU 97 CO -0.22 0.39 0.63 0.74 0.09 0.00 0.00 178.44 180.07 2qee h THR 98 N 0.71 1.24 -0.17 0.22 2.02 -0.96 -0.29 112.91 115.68 2qee h THR 98 Ca 0.27 -0.44 -0.01 0.00 0.77 0.00 0.00 66.41 67.00 2qee h THR 98 Cb 0.09 -0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.35 2qee h THR 98 CO -0.14 0.23 0.07 0.00 0.37 0.00 0.00 175.52 176.06 2qee h LEU 100 N 0.13 -0.80 -0.62 0.00 3.38 -0.94 -2.00 115.31 114.46 2qee h LEU 100 Ca 0.06 0.06 0.13 0.00 0.09 0.00 0.00 57.88 58.21 2qee h LEU 100 Cb 0.14 0.25 -0.11 0.00 0.09 0.00 0.00 40.66 41.03 2qee h LEU 100 CO -0.01 -0.47 -0.06 -0.61 0.09 0.00 0.00 178.44 177.38 2qee h GLN 101 N -0.73 0.06 -0.61 1.13 4.15 -0.92 -0.39 115.11 117.80 2qee h GLN 101 Ca -0.04 -0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.44 2qee h GLN 101 Cb 0.62 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.26 2qee h GLN 101 CO 0.02 0.04 0.41 0.78 -1.93 0.00 0.00 178.83 178.14 2qee h GLY 102 N 0.07 0.73 0.50 2.39 0.00 -0.70 -1.18 103.07 104.88 2qee h GLY 102 Ca 0.32 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.42 2qee h GLY 102 CO -0.58 0.17 -0.03 1.04 0.00 0.00 0.00 176.54 177.14 2qee n LEU 103 N -4.48 0.63 0.00 3.11 4.77 -0.44 -4.89 117.00 115.70 2qee n LEU 103 Ca 0.09 -0.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 2qee n LEU 103 Cb 0.25 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 2qee n LEU 103 CO 0.34 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 2qee n GLY 104 N 1.14 0.66 3.50 -0.72 0.00 -0.45 -5.03 105.19 104.30 2qee n GLY 104 Ca 0.19 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 2qee n GLY 104 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qee s LEU 105 N 0.00 4.74 -0.50 0.99 1.43 -0.29 -5.00 118.68 120.06 2qee s LEU 105 Ca 0.00 -0.57 -0.28 0.00 -1.03 0.00 0.00 54.13 52.25 2qee s LEU 105 Cb 0.00 -2.24 0.02 0.00 0.03 0.00 0.00 46.19 44.00 2qee s LEU 105 CO 0.00 -0.39 1.35 -0.62 0.23 0.00 0.00 176.35 176.92 2qee s ASP 106 N 1.73 6.31 0.63 2.29 -1.08 -1.26 -2.89 116.67 122.40 2qee s ASP 106 Ca 0.08 0.48 0.41 0.00 -0.52 0.00 0.00 52.55 53.00 2qee s ASP 106 Cb -0.18 -2.55 2.21 0.00 -1.46 0.00 0.00 42.92 40.95 2qee s ASP 106 CO 0.11 -1.52 2.24 -0.65 0.52 0.00 0.00 175.17 175.87 2qee h PRO 107 N 10.50 0.00 0.00 4.34 0.11 -1.91 -2.52 132.00 142.52 2qee h PRO 107 Ca -0.26 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.84 2qee h PRO 107 Cb 1.09 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 2qee h PRO 107 CO 1.14 0.00 -0.03 0.00 -0.21 0.00 0.00 178.00 178.90 2qee h ALA 108 N 1.91 1.80 0.00 -0.75 0.00 -2.01 -2.23 119.26 117.99 2qee h ALA 108 Ca 0.00 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 2qee h ALA 108 Cb 0.09 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2qee h ALA 108 CO 0.00 0.04 -0.37 1.79 0.00 0.00 0.00 179.25 180.71 2qee h THR 109 N 0.00 0.42 -4.59 0.00 1.35 -1.87 -3.47 112.91 104.76 2qee h THR 109 Ca -0.00 -1.61 -0.36 0.00 -0.55 0.00 0.00 66.41 63.89 2qee h THR 109 Cb 0.06 2.17 -0.02 0.00 -1.73 0.00 0.00 68.15 68.63 2qee h THR 109 CO 0.00 0.24 -0.51 0.54 -0.25 0.00 0.00 175.52 175.54 2qee n ARG 110 N -3.12 -3.46 -3.13 4.72 1.74 -0.84 -4.91 116.66 107.67 2qee n ARG 110 Ca 0.02 0.68 -0.44 0.00 -0.77 0.00 0.00 57.85 57.34 2qee n ARG 110 Cb 0.64 -5.41 0.00 0.00 -1.02 0.00 0.00 32.46 26.68 2qee n ARG 110 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2qee n ASP 111 N -2.23 5.70 -0.31 0.55 -0.08 -1.26 -4.87 116.55 114.05 2qee n ASP 111 Ca -0.09 -3.14 0.08 0.00 -1.51 0.00 0.00 54.79 50.13 2qee n ASP 111 Cb 0.59 -1.38 0.24 0.00 2.34 0.00 0.00 41.12 42.91 2qee n ASP 111 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 2qee h LEU 112 N 6.82 0.61 -0.33 -2.67 5.85 -1.98 0.17 115.31 123.78 2qee h LEU 112 Ca 0.22 0.09 0.00 0.00 0.84 0.00 0.00 57.88 59.03 2qee h LEU 112 Cb 0.78 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.78 2qee h LEU 112 CO 1.18 0.26 0.21 1.56 -0.34 0.00 0.00 178.44 181.32 2qee h GLN 113 N 0.69 0.44 -0.69 1.25 1.08 -2.00 0.00 115.11 115.88 2qee h GLN 113 Ca 0.48 -0.03 0.01 0.00 -1.45 0.00 0.00 58.65 57.66 2qee h GLN 113 Cb 0.66 -0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 27.96 2qee h GLN 113 CO -0.35 0.31 0.46 0.28 -0.95 0.00 0.00 178.83 178.57 2qee h VAL 114 N 0.44 1.17 -0.55 -0.54 2.07 -1.74 -2.60 116.25 114.50 2qee h VAL 114 Ca 0.12 -0.32 0.06 0.00 0.82 0.00 0.00 66.70 67.38 2qee h VAL 114 Cb -0.03 0.16 -0.05 0.00 -1.52 0.00 0.00 31.29 29.84 2qee h VAL 114 CO -0.03 0.17 0.26 1.88 0.02 0.00 0.00 177.57 179.88 2qee h TYR 115 N 0.93 0.48 -0.96 1.57 0.05 -0.39 -2.17 116.97 116.47 2qee h TYR 115 Ca 0.25 0.02 0.09 0.00 0.05 0.00 0.00 58.73 59.14 2qee h TYR 115 Cb -0.10 -0.13 -0.07 0.00 1.01 0.00 0.00 36.73 37.43 2qee h TYR 115 CO -0.03 0.21 0.60 0.00 -1.05 0.00 0.00 178.16 177.90 2qee h ARG 116 N 0.50 1.01 -0.36 4.88 3.08 -0.71 -1.99 114.38 120.79 2qee h ARG 116 Ca 0.25 -0.06 0.05 0.00 0.07 0.00 0.00 59.98 60.30 2qee h ARG 116 Cb 0.20 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 2qee h ARG 116 CO -0.20 0.67 0.24 0.93 -1.07 0.00 0.00 179.97 180.54 2qee h GLU 117 N 1.04 0.25 -0.70 0.04 5.08 -1.02 -0.53 114.58 118.74 2qee h GLU 117 Ca 0.44 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.84 2qee h GLU 117 Cb 0.30 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.44 2qee h GLU 117 CO -0.21 0.16 0.41 -0.92 -1.00 0.00 0.00 179.01 177.45 2qee h TYR 118 N 0.25 0.76 0.15 4.33 3.20 -1.31 -3.09 116.97 121.26 2qee h TYR 118 Ca 0.16 0.02 -0.31 0.00 3.14 0.00 0.00 58.73 61.74 2qee h TYR 118 Cb 0.30 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.34 2qee h TYR 118 CO -0.00 0.39 -1.51 0.74 -1.64 0.00 0.00 178.16 176.14 2qee h PHE 119 N 0.77 0.58 -0.44 -3.82 0.04 -1.23 -3.29 116.94 109.56 2qee h PHE 119 Ca 0.30 -0.43 0.13 0.00 2.80 0.00 0.00 57.97 60.77 2qee h PHE 119 Cb 0.13 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.24 2qee h PHE 119 CO -0.06 1.44 0.69 0.00 -0.60 0.00 0.00 178.31 179.78 2qee h ALA 120 N 0.40 2.16 -0.39 2.45 0.00 -1.25 -1.61 119.26 121.02 2qee h ALA 120 Ca -0.24 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2qee h ALA 120 Cb 2.05 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.87 2qee h ALA 120 CO 0.19 -0.92 0.00 0.36 0.00 0.00 0.00 179.25 178.88 2qee n LYS 121 N -3.27 3.02 -4.44 0.00 2.85 -1.24 -5.00 118.16 110.08 2qee n LYS 121 Ca 0.09 -2.43 -0.25 0.00 -1.05 0.00 0.00 58.31 54.66 2qee n LYS 121 Cb 0.85 -1.54 -0.11 0.00 -0.65 0.00 0.00 35.03 33.59 2qee n LYS 121 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 2qee s LYS 122 N -1.63 1.59 0.51 -1.58 1.02 -0.61 -5.14 119.74 113.90 2qee s LYS 122 Ca 0.34 -1.64 -0.04 0.00 0.02 0.00 0.00 55.97 54.65 2qee s LYS 122 Cb 0.22 -1.79 -0.01 0.00 -0.52 0.00 0.00 37.83 35.73 2qee s LYS 122 CO 0.16 0.36 0.79 0.95 -0.92 0.00 0.00 175.35 176.69 2qee s THR 123 N -2.10 4.17 0.21 2.17 -4.23 -1.26 -4.98 115.64 109.62 2qee s THR 123 Ca 0.25 -0.11 -0.10 0.00 -1.18 0.00 0.00 61.69 60.55 2qee s THR 123 Cb -0.06 -3.59 0.14 0.00 1.34 0.00 0.00 72.50 70.32 2qee s THR 123 CO 0.12 -0.54 1.80 0.28 -0.54 0.00 0.00 174.62 175.75 2qee h SER 124 N 0.14 0.52 -0.75 3.99 0.02 -1.97 -1.61 113.55 113.89 2qee h SER 124 Ca -0.46 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.51 2qee h SER 124 Cb 1.24 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 63.68 2qee h SER 124 CO 0.60 0.33 0.45 -0.33 -1.14 0.00 0.00 176.83 176.74 2qee h GLU 125 N 0.65 1.03 -0.19 3.45 3.07 -1.94 -0.06 114.58 120.59 2qee h GLU 125 Ca 0.29 -0.09 -0.17 0.00 -0.50 0.00 0.00 59.36 58.89 2qee h GLU 125 Cb 0.19 -0.21 0.00 0.00 -0.84 0.00 0.00 28.75 27.89 2qee h GLU 125 CO -0.19 0.73 -0.55 0.93 -1.40 0.00 0.00 179.01 178.53 2qee h GLU 126 N 1.04 0.71 -0.24 2.33 5.08 -1.87 -2.77 114.58 118.86 2qee h GLU 126 Ca 0.27 -0.51 -0.12 0.00 -1.00 0.00 0.00 59.36 58.00 2qee h GLU 126 Cb -0.03 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2qee h GLU 126 CO -0.05 1.13 -0.37 0.37 -1.00 0.00 0.00 179.01 179.09 2qee h GLN 127 N 0.41 0.52 -0.44 2.33 5.75 -0.93 -0.66 115.11 122.10 2qee h GLN 127 Ca -0.02 -0.25 0.01 0.00 -0.15 0.00 0.00 58.65 58.25 2qee h GLN 127 Cb 1.17 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.69 2qee h GLN 127 CO 0.12 0.81 0.28 0.28 -2.65 0.00 0.00 178.83 177.67 2qee h VAL 128 N 0.44 1.09 -0.27 2.39 2.07 -1.03 0.56 116.25 121.50 2qee h VAL 128 Ca 0.05 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 67.39 2qee h VAL 128 Cb 0.84 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 2qee h VAL 128 CO 0.07 0.10 0.13 0.44 0.02 0.00 0.00 177.57 178.33 2qee h ASP 129 N 0.57 0.18 -0.10 0.57 3.32 -1.15 -0.58 116.42 119.25 2qee h ASP 129 Ca 0.17 0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.25 2qee h ASP 129 Cb -0.04 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 2qee h ASP 129 CO -0.05 0.14 -0.02 0.74 -1.72 0.00 0.00 179.24 178.33 2qee h THR 130 N 0.27 0.91 -0.17 0.35 2.02 -0.98 -2.44 112.91 112.87 2qee h THR 130 Ca 0.11 -0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.18 2qee h THR 130 Cb 0.04 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 67.36 2qee h THR 130 CO -0.09 0.00 -0.34 0.58 0.37 0.00 0.00 175.52 176.04 2qee h VAL 131 N 0.00 1.34 -0.28 3.16 2.07 -0.71 -0.82 116.25 121.01 2qee h VAL 131 Ca 0.05 -1.59 -0.01 0.00 0.82 0.00 0.00 66.70 65.97 2qee h VAL 131 Cb 0.07 1.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 2qee h VAL 131 CO -0.09 0.48 0.14 -0.07 0.02 0.00 0.00 177.57 178.05 2qee h LEU 132 N 0.18 0.34 0.12 2.57 3.38 -1.13 0.13 115.31 120.91 2qee h LEU 132 Ca 0.01 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2qee h LEU 132 Cb 0.94 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.61 2qee h LEU 132 CO 0.08 0.29 -0.06 -0.61 0.09 0.00 0.00 178.44 178.23 2qee h GLN 133 N 0.39 -0.16 -0.93 1.13 -0.00 -1.18 -1.40 115.11 112.96 2qee h GLN 133 Ca 0.10 0.01 0.02 0.00 -0.00 0.00 0.00 58.65 58.79 2qee h GLN 133 Cb 0.04 0.04 -0.05 0.00 0.00 0.00 0.00 27.48 27.50 2qee h GLN 133 CO -0.02 0.31 0.61 -0.07 0.00 0.00 0.00 178.83 179.66 2qee h LEU 134 N -0.76 1.03 -0.58 -2.39 3.38 -0.70 -1.44 115.31 113.84 2qee h LEU 134 Ca -0.02 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2qee h LEU 134 Cb 0.54 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2qee h LEU 134 CO 0.03 0.72 -0.04 0.00 0.09 0.00 0.00 178.44 179.24 2qee n ALA 135 N -2.36 2.67 -4.05 1.53 0.00 0.41 -4.93 120.51 113.79 2qee n ALA 135 Ca 0.11 -0.35 -0.28 0.00 0.00 0.00 0.00 53.44 52.92 2qee n ALA 135 Cb 0.06 -1.28 -0.03 0.00 0.00 0.00 0.00 19.45 18.20 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 -0.35 -0.66 -4.46 0.00 5.15 -0.54 -4.80 115.26 109.58 2qee n ASN 136 Ca 0.19 -1.04 -0.38 0.00 -0.60 0.00 0.00 54.58 52.75 2qee n ASN 136 Cb 0.28 -2.81 -0.12 0.00 -0.53 0.00 0.00 39.78 36.60 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 -3.90 4.56 -0.03 3.44 1.01 -0.63 -0.14 120.40 124.71 2qee s VAL 137 Ca 0.13 -0.23 0.12 0.00 0.00 0.00 0.00 61.98 62.00 2qee s VAL 137 Cb -0.07 -3.22 -0.16 0.00 0.00 0.00 0.00 36.38 32.92 2qee s VAL 137 CO 0.91 0.21 0.98 0.77 0.00 0.00 0.00 175.10 177.97 2qee h SER 138 N 8.30 0.00 -3.45 3.32 4.64 -1.15 -3.44 113.55 121.77 2qee h SER 138 Ca -0.35 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.81 2qee h SER 138 Cb 1.16 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 62.98 2qee h SER 138 CO 0.59 0.84 -0.38 -1.81 -0.87 0.00 0.00 176.83 175.20 2qee s ASP 139 N -6.25 -0.37 -0.15 4.97 1.01 -1.17 -4.73 116.67 109.98 2qee s ASP 139 Ca -0.01 0.69 0.02 0.00 0.71 0.00 0.00 52.55 53.95 2qee s ASP 139 Cb 0.09 0.61 0.01 0.00 1.01 0.00 0.00 42.92 44.64 2qee s ASP 139 CO 0.81 -0.16 -0.19 -0.69 0.21 0.00 0.00 175.17 175.15 2qee s VAL 140 N 1.00 1.91 -0.19 -1.27 1.01 0.19 -0.41 120.40 122.63 2qee s VAL 140 Ca -0.07 -0.87 -0.18 0.00 0.00 0.00 0.00 61.98 60.86 2qee s VAL 140 Cb -0.07 -1.71 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 2qee s VAL 140 CO -0.07 0.52 0.51 -0.69 0.00 0.00 0.00 175.10 175.37 2qee s VAL 141 N 1.04 5.11 0.84 2.92 1.01 -0.14 -0.24 120.40 130.95 2qee s VAL 141 Ca -0.03 0.95 -0.09 0.00 0.00 0.00 0.00 61.98 62.82 2qee s VAL 141 Cb -0.14 -3.84 0.15 0.00 0.00 0.00 0.00 36.38 32.55 2qee s VAL 141 CO -0.06 0.19 1.16 -0.04 0.00 0.00 0.00 175.10 176.35 2qee s MET 142 N 1.57 1.24 -0.29 2.72 -1.94 0.79 -1.20 119.30 122.19 2qee s MET 142 Ca 0.24 -0.64 -0.01 0.00 -1.71 0.00 0.00 55.69 53.57 2qee s MET 142 Cb -0.15 -2.07 0.05 0.00 2.01 0.00 0.00 34.83 34.67 2qee s MET 142 CO 0.10 -1.90 -0.02 0.99 -0.01 0.00 0.00 175.02 174.18 2qee s THR 143 N -3.53 2.90 -0.22 2.05 2.01 -0.97 -3.42 115.64 114.46 2qee s THR 143 Ca 0.69 -1.35 -0.03 0.00 0.31 0.00 0.00 61.69 61.31 2qee s THR 143 Cb -0.05 -2.64 0.00 0.00 0.01 0.00 0.00 72.50 69.82 2qee s THR 143 CO 0.49 -0.05 -0.07 0.20 -0.69 0.00 0.00 174.62 174.49 2qee s ASN 144 N 1.25 4.09 -0.37 3.53 -0.87 -0.21 -4.96 114.94 117.40 2qee s ASN 144 Ca -0.05 -0.51 -0.01 0.00 -1.57 0.00 0.00 52.86 50.73 2qee s ASN 144 Cb -0.19 -1.68 0.10 0.00 -0.02 0.00 0.00 41.25 39.45 2qee s ASN 144 CO -0.02 -0.03 0.12 -0.62 -2.57 0.00 0.00 177.10 173.98 2qee s ASP 145 N 1.42 5.05 0.00 -1.22 2.15 -1.26 -0.81 116.67 122.00 2qee s ASP 145 Ca 0.05 -1.92 0.14 0.00 0.43 0.00 0.00 52.55 51.25 2qee s ASP 145 Cb -0.14 -1.75 0.71 0.00 -0.30 0.00 0.00 42.92 41.44 2qee s ASP 145 CO -0.05 -0.44 1.35 -0.81 -0.17 0.00 0.00 175.17 175.04 2qee n PRO 146 N 4.51 0.23 0.02 4.34 -0.04 -1.26 -1.49 135.00 141.31 2qee n PRO 146 Ca -0.03 0.13 0.12 0.00 -0.04 0.00 0.00 63.50 63.69 2qee n PRO 146 Cb 0.42 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.61 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 -1.24 0.20 -2.91 0.54 3.72 -1.26 -4.64 117.46 111.87 2qee n PHE 147 Ca 0.07 0.06 -0.41 0.00 -0.05 0.00 0.00 57.45 57.12 2qee n PHE 147 Cb 0.10 -0.41 -0.04 0.00 -0.94 0.00 0.00 39.48 38.19 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 -3.46 7.04 0.08 4.37 2.15 -0.56 -4.95 116.67 121.33 2qee s ASP 148 Ca 0.09 1.26 -0.21 0.00 0.43 0.00 0.00 52.55 54.13 2qee s ASP 148 Cb 0.16 -2.46 -0.11 0.00 -0.30 0.00 0.00 42.92 40.21 2qee s ASP 148 CO 0.70 -0.29 1.58 0.44 -0.17 0.00 0.00 175.17 177.44 2qee h ASP 149 N 7.06 0.24 -0.19 -0.34 3.32 -1.88 0.34 116.42 124.97 2qee h ASP 149 Ca -0.35 -0.21 0.03 0.00 0.02 0.00 0.00 57.03 56.52 2qee h ASP 149 Cb 1.17 -0.06 -0.05 0.00 0.22 0.00 0.00 39.33 40.61 2qee h ASP 149 CO 0.80 0.38 -0.35 -1.13 -1.72 0.00 0.00 179.24 177.22 2qee h ASN 150 N 0.08 -1.15 -0.75 6.45 -0.73 -1.96 -2.58 115.58 114.95 2qee h ASN 150 Ca 0.05 0.14 0.01 0.00 1.87 0.00 0.00 56.30 58.38 2qee h ASN 150 Cb 0.23 0.46 -0.04 0.00 0.27 0.00 0.00 38.32 39.24 2qee h ASN 150 CO -0.00 -0.28 0.49 -0.33 -0.37 0.00 0.00 177.43 176.94 2qee h GLU 151 N -0.30 0.97 -0.84 6.67 5.08 -1.82 -2.88 114.58 121.46 2qee h GLU 151 Ca 0.04 -0.06 0.06 0.00 -1.00 0.00 0.00 59.36 58.40 2qee h GLU 151 Cb 0.40 -0.22 -0.06 0.00 0.50 0.00 0.00 28.75 29.37 2qee h GLU 151 CO -0.34 0.64 0.51 -0.09 -1.00 0.00 0.00 179.01 178.74 2qee h ARG 152 N 1.00 0.91 -0.75 2.33 2.43 -0.06 -2.79 114.38 117.45 2qee h ARG 152 Ca 0.28 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.33 2qee h ARG 152 Cb -0.09 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.22 2qee h ARG 152 CO -0.07 0.60 0.24 0.82 -1.51 0.00 0.00 179.97 180.05 2qee h ILE 153 N 0.94 1.26 -0.61 1.20 5.03 -1.23 0.50 117.51 124.60 2qee h ILE 153 Ca 0.37 -0.91 0.05 0.00 -0.12 0.00 0.00 64.86 64.25 2qee h ILE 153 Cb 0.18 0.43 -0.05 0.00 -3.03 0.00 0.00 36.82 34.34 2qee h ILE 153 CO -0.18 0.36 0.33 0.28 -0.68 0.00 0.00 178.15 178.26 2qee h SER 154 N 1.12 0.48 -0.44 1.72 0.02 -1.56 0.31 113.55 115.20 2qee h SER 154 Ca 0.24 0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 61.18 2qee h SER 154 Cb 0.31 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 2qee h SER 154 CO -0.01 0.31 0.11 -0.50 -1.14 0.00 0.00 176.83 175.61 2qee h TRP 155 N 0.61 0.74 -0.84 3.45 4.06 -1.30 -2.12 115.95 120.55 2qee h TRP 155 Ca 0.27 -0.09 0.03 0.00 2.06 0.00 0.00 58.89 61.16 2qee h TRP 155 Cb 0.17 -0.21 -0.05 0.00 -1.00 0.00 0.00 29.16 28.08 2qee h TRP 155 CO -0.09 0.68 0.55 -0.07 -3.56 0.00 0.00 178.44 175.96 2qee h LEU 156 N 0.58 0.91 0.00 -4.49 3.38 0.09 -1.62 115.31 114.17 2qee h LEU 156 Ca 0.14 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2qee h LEU 156 Cb 0.31 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2qee h LEU 156 CO 0.00 0.64 0.00 -0.62 0.09 0.00 0.00 178.44 178.55 2qee n GLU 157 N -4.44 0.01 -0.67 1.13 1.02 0.99 -4.89 120.64 113.79 2qee n GLU 157 Ca 0.11 0.24 0.00 0.00 -0.02 0.00 0.00 57.16 57.48 2qee n GLU 157 Cb 0.09 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 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 0.06 0.65 3.73 0.62 0.00 -0.61 -5.04 105.19 104.60 2qee n GLY 158 Ca 0.04 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 2qee n GLY 158 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qee s LYS 159 N -0.52 4.15 0.05 1.61 1.02 -0.81 -5.01 119.74 120.23 2qee s LYS 159 Ca 0.00 2.52 0.03 0.00 0.02 0.00 0.00 55.97 58.55 2qee s LYS 159 Cb 0.00 -3.08 -0.04 0.00 -0.52 0.00 0.00 37.83 34.19 2qee s LYS 159 CO 0.00 -0.67 -0.01 -0.65 -0.92 0.00 0.00 175.35 173.10 2qee s GLN 160 N 0.69 2.62 0.63 1.68 -1.52 -1.26 -4.65 119.66 117.86 2qee s GLN 160 Ca 0.70 -0.75 -0.17 0.00 -1.95 0.00 0.00 55.36 53.20 2qee s GLN 160 Cb -0.47 -2.57 -0.01 0.00 -0.22 0.00 0.00 33.01 29.73 2qee s GLN 160 CO 0.36 0.58 1.16 -1.25 -0.25 0.00 0.00 175.29 175.89 2qee s PRO 161 N -1.91 2.82 0.24 2.91 0.04 -1.26 -4.98 135.00 132.85 2qee s PRO 161 Ca 0.22 1.61 -0.27 0.00 0.04 0.00 0.00 61.00 62.60 2qee s PRO 161 Cb -0.12 -1.93 -0.16 0.00 0.04 0.00 0.00 34.50 32.33 2qee s PRO 161 CO 0.14 -1.28 0.57 -3.47 0.04 0.00 0.00 177.00 173.00 2qee n ASP 162 N -2.05 -0.96 0.18 6.66 -0.08 -1.26 -4.89 116.55 114.14 2qee n ASP 162 Ca 0.12 1.11 0.13 0.00 -1.51 0.00 0.00 54.79 54.64 2qee n ASP 162 Cb 0.51 -1.00 0.62 0.00 2.34 0.00 0.00 41.12 43.59 2qee n ASP 162 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 2qee h SER 163 N 1.10 0.00 1.29 1.67 4.64 -2.01 0.65 113.55 120.88 2qee h SER 163 Ca -0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 2qee h SER 163 Cb 1.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.51 2qee h SER 163 CO 0.57 0.00 -0.08 0.54 -0.87 0.00 0.00 176.83 176.99 2qee n ARG 164 N -2.40 0.20 -4.38 4.77 1.74 -1.26 -4.84 116.66 110.49 2qee n ARG 164 Ca -0.00 0.15 -0.34 0.00 -0.77 0.00 0.00 57.85 56.89 2qee n ARG 164 Cb 0.13 -1.72 -0.12 0.00 -1.02 0.00 0.00 32.46 29.74 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 -3.08 3.05 0.10 -1.55 0.08 0.22 -0.64 117.98 116.16 2qee s PHE 165 Ca 0.11 -0.21 0.10 0.00 0.12 0.00 0.00 56.93 57.05 2qee s PHE 165 Cb 0.14 -1.94 -0.04 0.00 -0.57 0.00 0.00 43.02 40.62 2qee s PHE 165 CO 0.60 0.04 -0.23 -1.01 -0.10 0.00 0.00 175.22 174.52 2qee s HIS 166 N 0.19 2.41 0.23 0.36 3.76 0.67 -4.70 115.29 118.21 2qee s HIS 166 Ca -0.01 -0.34 -0.08 0.00 -0.15 0.00 0.00 55.06 54.48 2qee s HIS 166 Cb -0.14 -1.33 -0.06 0.00 1.11 0.00 0.00 32.58 32.16 2qee s HIS 166 CO 0.03 0.30 0.53 0.00 -0.85 0.00 0.00 174.74 174.74 2qee s ALA 167 N -1.02 3.61 -0.02 -1.40 0.00 -1.26 -0.15 121.76 121.52 2qee s ALA 167 Ca 0.15 -0.38 0.00 0.00 0.00 0.00 0.00 51.96 51.73 2qee s ALA 167 Cb -0.10 -2.36 0.02 0.00 0.00 0.00 0.00 23.12 20.67 2qee s ALA 167 CO 0.06 0.46 -0.00 0.00 0.00 0.00 0.00 175.76 176.28 2qee s ALA 168 N -1.86 0.25 -0.49 0.00 0.00 -1.22 -0.53 121.76 117.91 2qee s ALA 168 Ca 0.46 0.10 -0.24 0.00 0.00 0.00 0.00 51.96 52.28 2qee s ALA 168 Cb -0.11 -0.23 0.03 0.00 0.00 0.00 0.00 23.12 22.81 2qee s ALA 168 CO 0.24 -0.04 0.87 -1.17 0.00 0.00 0.00 175.76 175.67 2qee s LEU 169 N 0.69 4.15 -0.20 0.00 2.96 -0.15 -1.05 118.68 125.08 2qee s LEU 169 Ca -0.07 -0.15 -0.26 0.00 -0.22 0.00 0.00 54.13 53.44 2qee s LEU 169 Cb -0.10 -2.97 -0.01 0.00 0.50 0.00 0.00 46.19 43.61 2qee s LEU 169 CO -0.01 -1.06 0.87 -0.60 -1.32 0.00 0.00 176.35 174.22 2qee s ARG 170 N 3.63 4.26 -0.01 1.98 3.52 0.01 -0.33 118.95 132.01 2qee s ARG 170 Ca 0.32 1.06 0.06 0.00 -0.13 0.00 0.00 55.73 57.04 2qee s ARG 170 Cb -0.12 -3.61 0.18 0.00 -1.56 0.00 0.00 34.95 29.85 2qee s ARG 170 CO 0.22 -0.43 1.15 1.28 -0.81 0.00 0.00 175.30 176.71 2qee n LEU 171 N 5.64 2.55 -0.18 -0.88 4.77 0.20 -4.48 117.00 124.63 2qee n LEU 171 Ca 0.06 -2.05 -0.01 0.00 -0.03 0.00 0.00 56.01 53.98 2qee n LEU 171 Cb 0.48 -0.15 0.07 0.00 -2.33 0.00 0.00 43.42 41.49 2qee n LEU 171 CO 0.49 0.63 0.81 0.44 -1.33 0.00 0.00 177.39 178.43 2qee h ASP 172 N 1.13 -0.33 -0.28 -1.43 5.19 -1.94 -0.63 116.42 118.14 2qee h ASP 172 Ca 0.00 0.14 -0.05 0.00 -0.62 0.00 0.00 57.03 56.51 2qee h ASP 172 Cb 0.66 0.27 -0.02 0.00 0.18 0.00 0.00 39.33 40.42 2qee h ASP 172 CO 0.01 -0.12 0.03 -0.65 -3.12 0.00 0.00 179.24 175.38 2qee h PRO 173 N 0.07 0.58 0.04 3.56 0.11 -1.95 0.32 132.00 134.74 2qee h PRO 173 Ca 0.28 -0.12 -0.00 0.00 0.11 0.00 0.00 66.00 66.27 2qee h PRO 173 Cb 0.43 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.46 2qee h PRO 173 CO -0.50 0.58 -0.02 1.25 -0.21 0.00 0.00 178.00 179.10 2qee h LEU 174 N 0.56 -0.05 0.16 2.35 5.85 -1.52 -2.02 115.31 120.64 2qee h LEU 174 Ca 0.12 -0.15 -0.23 0.00 0.84 0.00 0.00 57.88 58.46 2qee h LEU 174 Cb 0.31 0.01 0.03 0.00 0.37 0.00 0.00 40.66 41.38 2qee h LEU 174 CO 0.01 0.12 -1.01 -0.07 -0.34 0.00 0.00 178.44 177.15 2qee h LEU 175 N -0.22 0.61 0.00 2.25 4.07 -0.95 -3.25 115.31 117.82 2qee h LEU 175 Ca -0.01 -0.92 -0.05 0.00 0.08 0.00 0.00 57.88 56.99 2qee h LEU 175 Cb 0.20 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 2qee h LEU 175 CO 0.01 1.48 -1.41 0.59 -1.08 0.00 0.00 178.44 178.03 2qee n ASN 176 N -4.00 0.59 -1.82 -0.43 3.02 0.11 -3.61 115.26 109.13 2qee n ASN 176 Ca -0.14 0.24 -0.02 0.00 -0.03 0.00 0.00 54.58 54.62 2qee n ASN 176 Cb 0.90 0.83 0.07 0.00 -0.61 0.00 0.00 39.78 40.97 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 -2.61 1.54 -0.02 3.52 1.02 -0.76 -4.90 120.64 118.43 2qee n GLU 177 Ca -0.04 -3.14 0.05 0.00 -0.02 0.00 0.00 57.16 54.01 2qee n GLU 177 Cb 0.64 -1.25 0.43 0.00 -0.02 0.00 0.00 31.44 31.24 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 1.71 0.52 -0.59 -0.32 3.20 -1.58 -0.37 116.97 119.55 2qee h TYR 178 Ca -0.04 0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.87 2qee h TYR 178 Cb 1.46 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 39.52 2qee h TYR 178 CO 0.52 0.31 0.36 0.93 -1.64 0.00 0.00 178.16 178.64 2qee h GLU 179 N 0.55 0.68 -0.00 1.82 4.39 -1.90 0.10 114.58 120.23 2qee h GLU 179 Ca 0.18 -0.04 -0.19 0.00 0.34 0.00 0.00 59.36 59.65 2qee h GLU 179 Cb 0.04 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.52 2qee h GLU 179 CO -0.04 0.45 -0.85 1.96 -1.16 0.00 0.00 179.01 179.37 2qee h GLN 180 N 0.70 0.17 0.00 2.33 7.50 -1.76 -3.36 115.11 120.68 2qee h GLN 180 Ca 0.24 -0.18 -0.17 0.00 0.50 0.00 0.00 58.65 59.04 2qee h GLN 180 Cb 0.03 0.05 -0.03 0.00 0.05 0.00 0.00 27.48 27.58 2qee h GLN 180 CO -0.10 0.92 -0.89 1.15 -1.50 0.00 0.00 178.83 178.40 2qee h THR 181 N 0.09 1.22 -0.68 -0.54 2.02 -0.33 -3.28 112.91 111.41 2qee h THR 181 Ca -0.04 -2.78 0.07 0.00 0.77 0.00 0.00 66.41 64.43 2qee h THR 181 Cb 1.47 2.58 -0.04 0.00 -1.74 0.00 0.00 68.15 70.42 2qee h THR 181 CO 0.13 0.69 0.45 0.07 0.37 0.00 0.00 175.52 177.23 2qee h LYS 182 N 0.00 0.62 -0.68 6.66 2.10 -0.97 -1.90 116.57 122.41 2qee h LYS 182 Ca -0.04 -0.04 0.05 0.00 -2.00 0.00 0.00 60.65 58.63 2qee h LYS 182 Cb 1.62 -0.14 -0.05 0.00 -0.90 0.00 0.00 32.23 32.76 2qee h LYS 182 CO 0.09 0.41 0.39 0.45 -2.00 0.00 0.00 179.45 178.79 2qee h HIS 183 N 0.64 0.71 -0.38 0.07 3.86 -1.80 -2.03 115.15 116.23 2qee h HIS 183 Ca 0.30 0.02 -0.09 0.00 -1.16 0.00 0.00 60.37 59.44 2qee h HIS 183 Cb 0.35 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.59 2qee h HIS 183 CO -0.00 0.35 -0.12 0.00 0.86 0.00 0.00 177.93 179.02 2qee h ARG 184 N 0.72 0.75 -0.58 2.45 3.08 -1.55 -1.39 114.38 117.86 2qee h ARG 184 Ca 0.30 -0.30 0.11 0.00 0.07 0.00 0.00 59.98 60.16 2qee h ARG 184 Cb 0.16 -0.04 -0.09 0.00 0.08 0.00 0.00 29.97 30.09 2qee h ARG 184 CO -0.17 0.90 0.11 -0.07 -1.07 0.00 0.00 179.97 179.67 2qee h LEU 185 N 0.55 -0.04 -0.42 3.04 3.38 -0.95 -0.62 115.31 120.25 2qee h LEU 185 Ca 0.09 0.11 -0.15 0.00 0.09 0.00 0.00 57.88 58.02 2qee h LEU 185 Cb 0.64 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 2qee h LEU 185 CO 0.04 -0.01 -0.33 0.08 0.09 0.00 0.00 178.44 178.32 2qee h ARG 186 N 0.23 0.96 -1.05 1.13 0.11 -1.20 0.79 114.38 115.35 2qee h ARG 186 Ca 0.30 -0.48 0.28 0.00 0.10 0.00 0.00 59.98 60.19 2qee h ARG 186 Cb 0.45 0.00 -0.11 0.00 1.11 0.00 0.00 29.97 31.42 2qee h ARG 186 CO -0.41 1.14 0.65 -0.44 0.10 0.00 0.00 179.97 181.01 2qee h ASP 187 N 0.80 0.51 -0.25 0.08 5.19 -0.44 0.30 116.42 122.62 2qee h ASP 187 Ca 0.08 0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.60 2qee h ASP 187 Cb 0.92 0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.47 2qee h ASP 187 CO 0.09 0.05 0.00 0.79 -3.12 0.00 0.00 179.24 177.04 2qee n TRP 188 N -4.76 0.32 -0.56 4.55 8.01 -0.32 -4.91 117.44 119.77 2qee n TRP 188 Ca 0.28 -0.16 0.00 0.00 -1.31 0.00 0.00 57.50 56.31 2qee n TRP 188 Cb 0.89 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 30.19 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 1.26 0.66 3.57 6.99 0.00 0.11 -5.05 105.19 112.73 2qee n GLY 189 Ca 0.17 -0.56 -0.40 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.00 3.21 -1.45 1.61 2.02 0.27 -4.94 117.35 116.07 2qee s TYR 190 Ca 0.00 0.24 -0.09 0.00 -0.37 0.00 0.00 57.07 56.85 2qee s TYR 190 Cb 0.00 -2.76 0.04 0.00 -0.40 0.00 0.00 41.96 38.84 2qee s TYR 190 CO 0.00 -0.41 2.48 1.63 -1.57 0.00 0.00 175.55 177.68 2qee n LYS 191 N 5.54 3.79 -2.90 -0.62 4.76 -1.26 -2.78 118.16 124.69 2qee n LYS 191 Ca -0.07 -2.87 -0.41 0.00 -2.87 0.00 0.00 58.31 52.10 2qee n LYS 191 Cb 0.50 -2.87 -0.04 0.00 -1.84 0.00 0.00 35.03 30.78 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 1.10 4.88 0.48 -0.18 -7.23 -1.26 -4.42 120.40 113.77 2qee s VAL 192 Ca 0.56 1.62 -0.16 0.00 -1.81 0.00 0.00 61.98 62.19 2qee s VAL 192 Cb 0.16 -4.13 -0.08 0.00 0.56 0.00 0.00 36.38 32.89 2qee s VAL 192 CO -0.06 0.03 0.93 0.20 -0.31 0.00 0.00 175.10 175.88 2qee s ASN 193 N 1.16 6.65 0.58 4.85 0.02 -1.26 -4.95 114.94 121.99 2qee s ASN 193 Ca 0.38 1.49 0.33 0.00 -1.02 0.00 0.00 52.86 54.04 2qee s ASN 193 Cb -0.17 -2.47 1.77 0.00 0.02 0.00 0.00 41.25 40.40 2qee s ASN 193 CO 0.12 -0.51 2.18 0.44 0.02 0.00 0.00 177.10 179.36 2qee h ASP 194 N 1.16 0.00 -3.14 -1.22 3.32 -2.02 -3.41 116.42 111.11 2qee h ASP 194 Ca -0.47 0.00 -0.66 0.00 0.02 0.00 0.00 57.03 55.92 2qee h ASP 194 Cb 1.18 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.63 2qee h ASP 194 CO 0.62 0.05 -0.59 -1.83 -1.72 0.00 0.00 179.24 175.77 2qee s GLU 195 N -4.25 3.03 -1.02 3.56 -1.05 -1.26 -5.03 118.70 112.67 2qee s GLU 195 Ca -0.04 -0.50 -0.23 0.00 -0.15 0.00 0.00 54.97 54.06 2qee s GLU 195 Cb 0.13 -2.83 0.03 0.00 -0.44 0.00 0.00 34.13 31.02 2qee s GLU 195 CO 0.53 0.65 1.57 -0.46 0.95 0.00 0.00 175.26 178.50 2qee s TRP 196 N -1.17 2.41 0.46 4.83 -0.11 -1.26 -4.70 118.94 119.41 2qee s TRP 196 Ca 0.22 -0.62 0.02 0.00 1.22 0.00 0.00 56.10 56.94 2qee s TRP 196 Cb -0.12 -4.58 -0.01 0.00 -1.50 0.00 0.00 33.47 27.26 2qee s TRP 196 CO 0.13 -1.88 0.08 0.27 -4.62 0.00 0.00 176.95 170.93 2qee n ASN 197 N 9.83 2.24 -0.29 5.86 0.23 -1.26 -4.99 115.26 126.88 2qee n ASN 197 Ca 0.36 -3.22 0.12 0.00 -0.53 0.00 0.00 54.58 51.30 2qee n ASN 197 Cb 0.50 0.73 0.35 0.00 -2.08 0.00 0.00 39.78 39.28 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 0.72 0.41 -3.83 4.57 -2.00 -2.09 114.58 112.36 2qee h GLU 198 Ca -0.37 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 57.75 2qee h GLU 198 Cb 1.26 -0.16 -0.00 0.00 -0.16 0.00 0.00 28.75 29.68 2qee h GLU 198 CO 0.60 0.47 -0.27 0.78 -1.18 0.00 0.00 179.01 179.41 2qee h GLY 199 N 0.74 -0.89 -0.79 1.92 0.00 -1.94 -1.03 103.07 101.08 2qee h GLY 199 Ca 0.47 0.37 0.21 0.00 0.00 0.00 0.00 47.33 48.39 2qee h GLY 199 CO -0.23 -0.30 -0.11 1.76 0.00 0.00 0.00 176.54 177.66 2qee h SER 200 N -0.64 -0.65 -0.37 0.19 0.02 -1.64 -0.56 113.55 109.90 2qee h SER 200 Ca -0.05 0.26 -0.01 0.00 -0.84 0.00 0.00 61.79 61.15 2qee h SER 200 Cb 0.52 0.51 -0.02 0.00 0.14 0.00 0.00 62.40 63.55 2qee h SER 200 CO 0.04 -0.30 0.21 0.40 -1.14 0.00 0.00 176.83 176.04 2qee h ILE 201 N 0.02 1.14 -0.26 3.27 2.04 -1.32 -0.19 117.51 122.21 2qee h ILE 201 Ca 0.49 -0.35 -0.11 0.00 1.00 0.00 0.00 64.86 65.89 2qee h ILE 201 Cb 0.85 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 2qee h ILE 201 CO -0.89 0.14 -0.29 1.56 0.00 0.00 0.00 178.15 178.67 2qee h GLN 202 N 0.47 0.53 0.05 2.37 1.08 0.22 -1.73 115.11 118.09 2qee h GLN 202 Ca 0.13 -0.22 -0.23 0.00 -1.45 0.00 0.00 58.65 56.88 2qee h GLN 202 Cb 0.05 -0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.45 2qee h GLN 202 CO -0.02 0.77 -1.04 0.93 -0.95 0.00 0.00 178.83 178.52 2qee h GLU 203 N 0.45 0.27 -0.60 1.46 4.39 -1.04 -1.85 114.58 117.68 2qee h GLU 203 Ca 0.06 -0.36 -0.05 0.00 0.34 0.00 0.00 59.36 59.35 2qee h GLU 203 Cb 0.74 0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.49 2qee h GLU 203 CO 0.06 1.10 0.17 0.28 -1.16 0.00 0.00 179.01 179.45 2qee h VAL 204 N 0.12 1.25 -0.43 3.13 2.07 -0.99 -2.17 116.25 119.24 2qee h VAL 204 Ca -0.08 -0.87 0.02 0.00 0.82 0.00 0.00 66.70 66.58 2qee h VAL 204 Cb 1.71 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 32.13 2qee h VAL 204 CO 0.17 0.33 0.28 0.11 0.02 0.00 0.00 177.57 178.48 2qee h LYS 205 N 0.86 0.52 -0.06 1.57 1.57 -1.17 -1.83 116.57 118.03 2qee h LYS 205 Ca 0.19 -0.03 -0.23 0.00 -1.87 0.00 0.00 60.65 58.71 2qee h LYS 205 Cb 0.32 -0.12 0.01 0.00 0.08 0.00 0.00 32.23 32.52 2qee h LYS 205 CO -0.00 0.34 -0.89 -0.09 -0.57 0.00 0.00 179.45 178.24 2qee h ARG 206 N 0.53 0.62 -0.22 3.15 2.43 -1.10 0.14 114.38 119.92 2qee h ARG 206 Ca 0.16 -0.58 0.03 0.00 -0.81 0.00 0.00 59.98 58.78 2qee h ARG 206 Cb 0.01 0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.68 2qee h ARG 206 CO -0.04 1.20 0.06 0.35 -1.51 0.00 0.00 179.97 180.03 2qee h PHE 207 N 0.39 0.10 0.13 2.20 3.57 -1.04 0.51 116.94 122.81 2qee h PHE 207 Ca -0.08 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.43 2qee h PHE 207 Cb 1.52 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 40.24 2qee h PHE 207 CO 0.08 0.04 -0.06 -0.07 -2.23 0.00 0.00 178.31 176.07 2qee h LEU 208 N 0.15 -0.15 -0.52 0.59 3.38 -1.19 -1.86 115.31 115.71 2qee h LEU 208 Ca 0.10 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.06 2qee h LEU 208 Cb 0.08 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 2qee h LEU 208 CO -0.12 -0.07 0.31 0.74 0.09 0.00 0.00 178.44 179.39 2qee h THR 209 N -0.22 1.06 -0.69 0.22 2.02 -0.78 0.63 112.91 115.16 2qee h THR 209 Ca -0.02 -0.21 0.07 0.00 0.77 0.00 0.00 66.41 67.02 2qee h THR 209 Cb 0.17 0.38 -0.04 0.00 -1.74 0.00 0.00 68.15 66.92 2qee h THR 209 CO 0.03 0.11 0.45 0.44 0.37 0.00 0.00 175.52 176.93 2qee h ASP 210 N 0.62 0.58 0.57 4.18 3.32 0.17 -1.38 116.42 124.49 2qee h ASP 210 Ca 0.21 0.01 -0.28 0.00 0.02 0.00 0.00 57.03 56.98 2qee h ASP 210 Cb 0.01 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 2qee h ASP 210 CO -0.09 0.37 -1.47 -0.50 -1.72 0.00 0.00 179.24 175.83 2qee h TRP 211 N 0.66 0.26 -1.00 4.55 4.06 -0.45 -1.96 115.95 122.07 2qee h TRP 211 Ca 0.30 -0.19 0.07 0.00 2.06 0.00 0.00 58.89 61.13 2qee h TRP 211 Cb 0.33 -0.01 -0.07 0.00 -1.00 0.00 0.00 29.16 28.41 2qee h TRP 211 CO -0.00 1.23 0.64 0.82 -3.56 0.00 0.00 178.44 177.57 2qee h ILE 212 N 0.04 1.07 -0.19 1.49 2.04 -0.81 -0.05 117.51 121.10 2qee h ILE 212 Ca -0.21 -0.40 -0.22 0.00 1.00 0.00 0.00 64.86 65.04 2qee h ILE 212 Cb 1.96 -0.18 0.01 0.00 -0.74 0.00 0.00 36.82 37.87 2qee h ILE 212 CO 0.14 0.21 -0.73 -0.08 0.00 0.00 0.00 178.15 177.69 2qee h GLU 213 N 1.15 0.82 -0.56 2.37 4.81 -1.20 -0.20 114.58 121.77 2qee h GLU 213 Ca 0.44 -0.63 -0.09 0.00 -0.13 0.00 0.00 59.36 58.95 2qee h GLU 213 Cb 0.19 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 2qee h GLU 213 CO -0.18 1.24 0.01 -0.09 -0.73 0.00 0.00 179.01 179.27 2qee h ARG 214 N 0.58 0.99 0.00 1.92 2.43 -1.13 -3.35 114.38 115.80 2qee h ARG 214 Ca -0.04 -0.31 -0.07 0.00 -0.81 0.00 0.00 59.98 58.75 2qee h ARG 214 Cb 1.35 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.79 2qee h ARG 214 CO 0.15 0.98 -1.92 -1.33 -1.51 0.00 0.00 179.97 176.34 2qee n MET 215 N -4.26 0.70 -3.88 0.20 2.81 -0.05 -5.00 117.12 107.64 2qee n MET 215 Ca 0.02 -0.13 -0.27 0.00 -1.81 0.00 0.00 57.70 55.51 2qee n MET 215 Cb 0.33 -1.44 -0.00 0.00 -0.71 0.00 0.00 33.22 31.39 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 -2.26 -1.62 -4.77 7.83 2.03 -0.09 -4.57 116.55 113.11 2qee n ASP 216 Ca -0.09 -1.01 -0.37 0.00 0.52 0.00 0.00 54.79 53.84 2qee n ASP 216 Cb 0.61 -3.13 -0.01 0.00 -0.72 0.00 0.00 41.12 37.88 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 -6.42 3.68 0.37 -0.67 0.04 -1.26 -4.64 135.00 126.10 2qee s PRO 217 Ca 0.13 1.73 0.20 0.00 0.04 0.00 0.00 61.00 63.10 2qee s PRO 217 Cb -0.05 -2.32 0.40 0.00 0.04 0.00 0.00 34.50 32.57 2qee s PRO 217 CO 0.88 -0.61 1.60 -0.39 0.04 0.00 0.00 177.00 178.52 2qee h VAL 218 N 1.73 0.52 -3.01 -0.36 -1.51 -1.15 -3.47 116.25 109.00 2qee h VAL 218 Ca -0.49 -1.56 -0.02 0.00 -1.23 0.00 0.00 66.70 63.40 2qee h VAL 218 Cb 1.25 2.12 -0.12 0.00 -2.13 0.00 0.00 31.29 32.41 2qee h VAL 218 CO 0.59 0.27 0.20 -0.72 -1.23 0.00 0.00 177.57 176.69 2qee s TYR 219 N -3.22 -0.51 -0.12 5.19 -0.85 -1.26 -4.31 117.35 112.27 2qee s TYR 219 Ca 0.04 0.29 -0.06 0.00 -0.52 0.00 0.00 57.07 56.82 2qee s TYR 219 Cb 0.08 0.56 -0.04 0.00 0.38 0.00 0.00 41.96 42.93 2qee s TYR 219 CO 0.69 -0.86 0.11 -1.64 -1.52 0.00 0.00 175.55 172.33 2qee s MET 220 N -3.76 3.44 0.08 -3.49 -1.94 -0.95 -0.98 119.30 111.70 2qee s MET 220 Ca 0.01 -0.20 0.06 0.00 -1.71 0.00 0.00 55.69 53.85 2qee s MET 220 Cb -0.01 -3.13 -0.03 0.00 2.01 0.00 0.00 34.83 33.66 2qee s MET 220 CO -0.12 0.70 -0.16 0.00 -0.01 0.00 0.00 175.02 175.43 2qee s ALA 221 N -0.82 1.33 -0.05 3.03 0.00 0.55 0.31 121.76 126.11 2qee s ALA 221 Ca 0.14 -1.06 -0.13 0.00 0.00 0.00 0.00 51.96 50.91 2qee s ALA 221 Cb -0.12 -0.14 0.02 0.00 0.00 0.00 0.00 23.12 22.89 2qee s ALA 221 CO 0.03 0.22 0.30 0.54 0.00 0.00 0.00 175.76 176.85 2qee s VAL 222 N -1.23 0.04 -0.07 0.00 0.11 0.10 -0.63 120.40 118.72 2qee s VAL 222 Ca 0.00 -0.35 -0.03 0.00 -2.93 0.00 0.00 61.98 58.67 2qee s VAL 222 Cb -0.10 -0.55 -0.04 0.00 -1.53 0.00 0.00 36.38 34.16 2qee s VAL 222 CO 0.03 -0.19 0.09 -0.94 -3.33 0.00 0.00 175.10 170.76 2qee s SER 223 N -0.88 5.89 0.04 3.54 1.04 -1.26 -0.79 113.70 121.28 2qee s SER 223 Ca -0.10 0.29 0.02 0.00 0.48 0.00 0.00 55.95 56.64 2qee s SER 223 Cb -0.05 -1.79 -0.02 0.00 0.10 0.00 0.00 66.02 64.26 2qee s SER 223 CO 0.03 0.35 -0.08 -0.76 0.98 0.00 0.00 173.24 173.76 2qee s LEU 224 N -1.27 2.25 0.84 2.42 1.43 0.76 -4.91 118.68 120.19 2qee s LEU 224 Ca 0.18 -0.54 -0.12 0.00 -1.03 0.00 0.00 54.13 52.62 2qee s LEU 224 Cb -0.12 -0.17 0.09 0.00 0.03 0.00 0.00 46.19 46.02 2qee s LEU 224 CO 0.08 -0.20 1.12 -2.16 0.23 0.00 0.00 176.35 175.42 2qee s PRO 225 N -1.55 1.75 0.57 1.29 0.04 -1.25 -0.37 135.00 135.47 2qee s PRO 225 Ca -0.10 0.43 0.29 0.00 0.04 0.00 0.00 61.00 61.67 2qee s PRO 225 Cb -0.10 -1.90 1.71 0.00 0.04 0.00 0.00 34.50 34.26 2qee s PRO 225 CO 0.00 -1.81 2.20 -1.35 0.04 0.00 0.00 177.00 176.09 2qee h PRO 226 N -1.22 0.00 -0.09 0.56 0.11 -1.77 -1.01 132.00 128.58 2qee h PRO 226 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2qee h PRO 226 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 2qee h PRO 226 CO 0.61 0.04 0.00 0.25 -0.21 0.00 0.00 178.00 178.69 2qee n THR 227 N -3.79 0.12 -1.68 -1.15 -2.24 -1.26 -3.94 114.28 100.34 2qee n THR 227 Ca -0.03 -0.19 -0.57 0.00 -2.27 0.00 0.00 64.05 60.99 2qee n THR 227 Cb 0.13 0.07 -0.07 0.00 -2.10 0.00 0.00 70.33 68.36 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 -0.18 1.84 -4.25 4.78 7.35 -0.38 -4.98 117.46 121.64 2qee n PHE 228 Ca 0.15 0.64 -0.20 0.00 -0.76 0.00 0.00 57.45 57.28 2qee n PHE 228 Cb 0.20 -2.39 -0.12 0.00 0.35 0.00 0.00 39.48 37.52 2qee n PHE 228 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 2qee s SER 229 N 2.64 1.80 -0.16 -2.13 0.01 -1.26 -4.71 113.70 109.89 2qee s SER 229 Ca 0.96 -0.58 -0.10 0.00 1.31 0.00 0.00 55.95 57.54 2qee s SER 229 Cb -1.10 -0.08 0.05 0.00 0.21 0.00 0.00 66.02 65.11 2qee s SER 229 CO 0.63 -0.02 0.39 0.12 0.41 0.00 0.00 173.24 174.77 2qee s PHE 230 N -1.12 -0.54 0.70 2.43 2.19 -1.26 -4.40 117.98 115.98 2qee s PHE 230 Ca 0.00 1.19 -0.15 0.00 0.33 0.00 0.00 56.93 58.31 2qee s PHE 230 Cb -0.09 0.22 0.02 0.00 -1.31 0.00 0.00 43.02 41.86 2qee s PHE 230 CO 0.02 -0.30 1.14 -2.14 1.83 0.00 0.00 175.22 175.77 2qee s PRO 231 N 1.08 2.49 -0.09 10.12 0.02 -1.26 -4.20 135.00 143.15 2qee s PRO 231 Ca -0.07 1.50 -0.08 0.00 0.02 0.00 0.00 61.00 62.37 2qee s PRO 231 Cb -0.07 -1.90 0.03 0.00 0.02 0.00 0.00 34.50 32.57 2qee s PRO 231 CO -0.09 -1.51 0.25 -2.00 -0.33 0.00 0.00 177.00 173.31 2qee s GLU 232 N -4.09 0.28 -1.31 5.54 2.12 -1.26 -5.05 118.70 114.92 2qee s GLU 232 Ca 0.69 0.36 -0.15 0.00 0.36 0.00 0.00 54.97 56.23 2qee s GLU 232 Cb -0.23 0.11 0.10 0.00 0.26 0.00 0.00 34.13 34.37 2qee s GLU 232 CO 0.44 -0.05 1.79 0.39 -0.54 0.00 0.00 175.26 177.30 2qee n GLU 233 N 3.07 3.22 -4.16 4.30 -0.58 -1.26 -3.95 120.64 121.29 2qee n GLU 233 Ca -0.14 -3.30 -0.11 0.00 -0.42 0.00 0.00 57.16 53.18 2qee n GLU 233 Cb 0.58 -3.26 -0.09 0.00 -0.57 0.00 0.00 31.44 28.09 2qee n GLU 233 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2qee s SER 234 N 3.20 0.11 0.15 1.62 1.04 -1.26 -5.00 113.70 113.57 2qee s SER 234 Ca 0.48 -1.30 -0.18 0.00 0.48 0.00 0.00 55.95 55.43 2qee s SER 234 Cb 0.05 0.41 0.04 0.00 0.10 0.00 0.00 66.02 66.62 2qee s SER 234 CO 0.01 -0.89 1.70 0.78 0.98 0.00 0.00 173.24 175.83 2qee h ASN 235 N 2.57 -0.15 -0.45 7.02 -0.26 -1.91 -1.12 115.58 121.27 2qee h ASN 235 Ca -0.34 0.07 0.07 0.00 -0.56 0.00 0.00 56.30 55.54 2qee h ASN 235 Cb 1.25 0.14 -0.06 0.00 -1.06 0.00 0.00 38.32 38.59 2qee h ASN 235 CO 0.50 -0.04 0.12 -0.09 -1.06 0.00 0.00 177.43 176.86 2qee h ARG 236 N 0.07 0.27 -0.77 0.81 2.43 -1.90 -0.43 114.38 114.86 2qee h ARG 236 Ca 0.15 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.24 2qee h ARG 236 Cb 0.20 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.66 2qee h ARG 236 CO -0.26 0.18 0.26 0.78 -1.51 0.00 0.00 179.97 179.42 2qee h GLY 237 N 0.27 1.26 1.26 2.80 0.00 -1.63 -1.17 103.07 105.87 2qee h GLY 237 Ca 0.22 -0.73 -0.26 0.00 0.00 0.00 0.00 47.33 46.56 2qee h GLY 237 CO -0.26 0.68 -1.00 3.21 0.00 0.00 0.00 176.54 179.18 2qee h ARG 238 N 1.13 0.67 -0.14 4.80 3.08 -0.78 -2.10 114.38 121.04 2qee h ARG 238 Ca 0.25 -0.70 -0.01 0.00 0.07 0.00 0.00 59.98 59.60 2qee h ARG 238 Cb 0.28 0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 2qee h ARG 238 CO -0.01 1.29 0.06 0.82 -1.07 0.00 0.00 179.97 181.06 2qee h ILE 239 N 0.39 1.13 -0.36 2.04 2.04 -1.04 0.13 117.51 121.83 2qee h ILE 239 Ca -0.11 -0.37 0.02 0.00 1.00 0.00 0.00 64.86 65.39 2qee h ILE 239 Cb 1.65 1.12 -0.03 0.00 -0.74 0.00 0.00 36.82 38.83 2qee h ILE 239 CO 0.19 0.12 0.20 0.40 0.00 0.00 0.00 178.15 179.06 2qee h ILE 240 N 0.09 1.02 -0.06 -0.67 2.04 -1.25 0.59 117.51 119.26 2qee h ILE 240 Ca 0.05 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 2qee h ILE 240 Cb 0.13 0.58 -0.00 0.00 -0.74 0.00 0.00 36.82 36.78 2qee h ILE 240 CO -0.01 0.07 0.01 -0.09 0.00 0.00 0.00 178.15 178.14 2qee h ARG 241 N 0.40 0.10 0.00 2.37 2.43 -1.20 -1.93 114.38 116.56 2qee h ARG 241 Ca 0.15 -0.03 -0.17 0.00 -0.81 0.00 0.00 59.98 59.11 2qee h ARG 241 Cb 0.03 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 2qee h ARG 241 CO -0.08 0.33 -1.78 -0.25 -1.51 0.00 0.00 179.97 176.68 2qee n ASP 242 N -4.90 0.45 0.00 -3.80 8.00 0.43 -4.53 116.55 112.20 2qee n ASP 242 Ca -0.07 0.20 -0.02 0.00 0.71 0.00 0.00 54.79 55.61 2qee n ASP 242 Cb 0.16 0.80 -0.01 0.00 -0.02 0.00 0.00 41.12 42.05 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 -0.17 -0.31 -0.00 0.00 7.12 -1.20 -2.46 115.31 118.29 2qee h LEU 244 Ca 0.00 0.04 -0.00 0.00 0.13 0.00 0.00 57.88 58.05 2qee h LEU 244 Cb 0.17 0.12 -0.00 0.00 -0.53 0.00 0.00 40.66 40.42 2qee h LEU 244 CO 0.00 -0.17 0.00 -0.07 -0.13 0.00 0.00 178.44 178.07 2qee h LEU 245 N -0.22 0.00 -0.57 2.25 3.38 -1.58 0.25 115.31 118.81 2qee h LEU 245 Ca 0.02 -0.20 0.09 0.00 0.09 0.00 0.00 57.88 57.88 2qee h LEU 245 Cb 0.24 -0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.92 2qee h LEU 245 CO -0.07 0.20 0.21 -0.65 0.09 0.00 0.00 178.44 178.22 2qee h PRO 246 N -0.20 0.37 -0.05 1.13 0.11 -1.79 0.28 132.00 131.85 2qee h PRO 246 Ca 0.00 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.09 2qee h PRO 246 Cb 0.20 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.23 2qee h PRO 246 CO -0.00 0.25 0.02 0.28 -0.21 0.00 0.00 178.00 178.33 2qee h VAL 247 N 0.38 1.14 -0.66 3.15 2.07 -1.19 -0.53 116.25 120.60 2qee h VAL 247 Ca 0.29 -0.41 0.08 0.00 0.82 0.00 0.00 66.70 67.48 2qee h VAL 247 Cb 0.34 1.32 -0.07 0.00 -1.52 0.00 0.00 31.29 31.37 2qee h VAL 247 CO -0.29 0.11 0.32 0.00 0.02 0.00 0.00 177.57 177.73 2qee h ALA 248 N 0.86 0.90 -0.25 1.67 0.00 -0.25 -1.71 119.26 120.46 2qee h ALA 248 Ca 0.02 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2qee h ALA 248 Cb 0.16 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2qee h ALA 248 CO -0.00 -0.06 0.08 1.49 0.00 0.00 0.00 179.25 180.76 2qee h GLU 249 N 0.57 0.39 -0.71 0.00 4.81 -0.23 0.26 114.58 119.67 2qee h GLU 249 Ca 0.32 -0.08 0.03 0.00 -0.13 0.00 0.00 59.36 59.50 2qee h GLU 249 Cb 0.32 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.59 2qee h GLU 249 CO -0.25 0.46 0.44 -0.22 -0.73 0.00 0.00 179.01 178.71 2qee h LYS 250 N 0.24 0.83 -0.01 1.92 3.64 -0.69 -2.44 116.57 120.06 2qee h LYS 250 Ca 0.08 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2qee h LYS 250 Cb 0.23 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 2qee h LYS 250 CO -0.00 0.55 -0.17 0.72 -2.27 0.00 0.00 179.45 178.28 2qee n HIS 251 N -4.67 0.00 -3.61 1.91 8.25 -0.68 -4.95 115.22 111.46 2qee n HIS 251 Ca 0.08 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.31 2qee n HIS 251 Cb 0.10 -0.07 0.07 0.00 1.12 0.00 0.00 29.99 31.21 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 -0.28 -4.60 -4.49 0.41 4.05 -0.06 -4.99 115.26 105.31 2qee n ASN 252 Ca 0.14 -0.62 -0.36 0.00 0.45 0.00 0.00 54.58 54.20 2qee n ASN 252 Cb 0.36 -4.80 -0.12 0.00 1.23 0.00 0.00 39.78 36.45 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 -3.36 4.31 0.74 -1.44 -1.09 -0.38 -4.87 121.20 115.10 2qee s ILE 253 Ca 0.40 -0.19 -0.15 0.00 -2.23 0.00 0.00 60.65 58.48 2qee s ILE 253 Cb -0.18 -2.98 0.04 0.00 -1.58 0.00 0.00 42.46 37.76 2qee s ILE 253 CO 0.75 0.39 1.24 -2.84 -1.23 0.00 0.00 174.94 173.25 2qee s PRO 254 N 1.13 2.04 -0.29 2.79 0.02 -1.26 -4.62 135.00 134.81 2qee s PRO 254 Ca 0.04 1.86 -0.08 0.00 0.02 0.00 0.00 61.00 62.83 2qee s PRO 254 Cb -0.14 -1.81 -0.01 0.00 0.02 0.00 0.00 34.50 32.56 2qee s PRO 254 CO 0.03 -1.93 0.12 0.12 -0.33 0.00 0.00 177.00 175.00 2qee s PHE 255 N -1.86 3.15 -0.24 6.54 5.36 0.62 -2.24 117.98 129.32 2qee s PHE 255 Ca 0.77 -0.62 -0.14 0.00 -0.96 0.00 0.00 56.93 55.97 2qee s PHE 255 Cb -0.32 -2.30 -0.04 0.00 -0.34 0.00 0.00 43.02 40.02 2qee s PHE 255 CO 0.46 -0.46 0.35 0.00 -1.46 0.00 0.00 175.22 174.11 2qee s ALA 256 N 1.59 3.57 -0.20 11.12 0.00 0.15 -1.24 121.76 136.75 2qee s ALA 256 Ca 0.05 -0.72 -0.02 0.00 0.00 0.00 0.00 51.96 51.27 2qee s ALA 256 Cb -0.17 -2.61 0.00 0.00 0.00 0.00 0.00 23.12 20.34 2qee s ALA 256 CO 0.05 -0.44 -0.11 -1.64 0.00 0.00 0.00 175.76 173.62 2qee s MET 257 N 1.60 3.22 -0.37 0.00 1.00 0.43 -0.72 119.30 124.44 2qee s MET 257 Ca 0.15 -0.71 -0.07 0.00 0.00 0.00 0.00 55.69 55.06 2qee s MET 257 Cb -0.15 -2.80 0.06 0.00 0.00 0.00 0.00 34.83 31.94 2qee s MET 257 CO 0.08 -0.17 0.17 -1.64 0.00 0.00 0.00 175.02 173.46 2qee s MET 258 N 1.32 2.56 -0.10 2.03 -1.94 0.03 -2.30 119.30 120.90 2qee s MET 258 Ca 0.04 -1.34 0.00 0.00 -1.71 0.00 0.00 55.69 52.68 2qee s MET 258 Cb -0.14 -3.59 -0.02 0.00 2.01 0.00 0.00 34.83 33.09 2qee s MET 258 CO -0.06 -0.81 -0.10 0.42 -0.01 0.00 0.00 175.02 174.46 2qee s ILE 259 N 1.39 3.37 0.00 2.53 1.01 -0.32 -0.17 121.20 129.01 2qee s ILE 259 Ca 0.01 -0.58 0.00 0.00 0.00 0.00 0.00 60.65 60.08 2qee s ILE 259 Cb -0.21 -2.40 0.00 0.00 0.01 0.00 0.00 42.46 39.86 2qee s ILE 259 CO 0.02 0.55 0.00 0.61 0.00 0.00 0.00 174.94 176.12 2qee n GLY 260 N 2.90 0.56 3.68 6.18 0.00 0.50 -0.49 105.19 118.52 2qee n GLY 260 Ca -0.18 0.00 -0.41 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 -1.45 4.97 -0.51 1.61 0.11 -0.92 -1.42 120.40 122.79 2qee s VAL 261 Ca 0.00 1.46 -0.16 0.00 -2.93 0.00 0.00 61.98 60.35 2qee s VAL 261 Cb 0.00 -4.06 0.10 0.00 -1.53 0.00 0.00 36.38 30.90 2qee s VAL 261 CO 0.00 0.12 0.47 -0.75 -3.33 0.00 0.00 175.10 171.61 2qee s LYS 262 N 1.69 2.99 0.46 1.54 2.20 -0.10 -3.89 119.74 124.63 2qee s LYS 262 Ca 0.35 -1.53 -0.24 0.00 -0.36 0.00 0.00 55.97 54.20 2qee s LYS 262 Cb -0.17 -4.23 -0.07 0.00 -1.51 0.00 0.00 37.83 31.85 2qee s LYS 262 CO 0.14 -1.22 1.33 0.15 -0.36 0.00 0.00 175.35 175.39 2qee s LYS 263 N 1.69 3.66 -1.41 4.03 -0.14 -1.26 -0.91 119.74 125.41 2qee s LYS 263 Ca 0.04 2.19 -0.08 0.00 -1.36 0.00 0.00 55.97 56.77 2qee s LYS 263 Cb -0.27 -2.56 0.01 0.00 -1.68 0.00 0.00 37.83 33.33 2qee s LYS 263 CO 0.05 -0.76 0.33 0.54 -0.76 0.00 0.00 175.35 174.75 2qee n ARG 264 N -0.33 -1.68 0.26 1.68 1.74 -1.23 -4.86 116.66 112.25 2qee n ARG 264 Ca 0.06 0.23 0.16 0.00 -0.77 0.00 0.00 57.85 57.53 2qee n ARG 264 Cb 0.44 -3.79 0.57 0.00 -1.02 0.00 0.00 32.46 28.66 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 -1.96 0.00 -2.69 1.55 -1.51 -1.13 -3.33 116.25 107.19 2qee h VAL 265 Ca -0.66 -0.62 -0.60 0.00 -1.23 0.00 0.00 66.70 63.59 2qee h VAL 265 Cb 1.39 1.62 -0.40 0.00 -2.13 0.00 0.00 31.29 31.77 2qee h VAL 265 CO 0.63 0.00 -0.81 -2.28 -1.23 0.00 0.00 177.57 173.88 2qee s HIS 266 N -3.56 1.99 0.28 5.19 5.65 -1.04 -5.04 115.29 118.77 2qee s HIS 266 Ca 0.03 -2.63 0.03 0.00 0.25 0.00 0.00 55.06 52.73 2qee s HIS 266 Cb 0.08 -1.62 0.65 0.00 -1.18 0.00 0.00 32.58 30.51 2qee s HIS 266 CO 0.57 -0.73 1.76 -1.35 -0.65 0.00 0.00 174.74 174.34 2qee h PRO 267 N 5.77 0.66 0.00 2.88 0.11 -1.85 -1.85 132.00 137.72 2qee h PRO 267 Ca 0.18 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.25 2qee h PRO 267 Cb 0.86 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.83 2qee h PRO 267 CO 0.49 0.43 -0.00 0.00 -0.21 0.00 0.00 178.00 178.71 2qee h ALA 268 N 1.61 1.31 0.00 -0.75 0.00 -1.96 -0.66 119.26 118.82 2qee h ALA 268 Ca 0.53 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.44 2qee h ALA 268 Cb 0.81 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2qee h ALA 268 CO -0.39 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.15 2qee n LEU 269 N -3.54 0.00 0.00 0.00 4.77 -0.69 -4.96 117.00 112.59 2qee n LEU 269 Ca -0.03 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 2qee n LEU 269 Cb 0.08 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 2qee n LEU 269 CO 0.25 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 2qee n GLY 270 N 1.29 3.70 0.36 -0.72 0.00 -0.26 -1.40 105.19 108.16 2qee n GLY 270 Ca 0.13 -0.01 0.19 0.00 0.00 0.00 0.00 46.02 46.32 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 -0.06 1.61 3.32 -1.94 0.19 116.42 119.53 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 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 2qee n ALA 272 N -2.39 2.53 -0.39 3.45 0.00 -0.49 -4.20 120.51 119.01 2qee n ALA 272 Ca 0.05 -0.17 0.11 0.00 0.00 0.00 0.00 53.44 53.42 2qee n ALA 272 Cb 0.47 -1.10 0.31 0.00 0.00 0.00 0.00 19.45 19.12 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 0.73 2.60 3.90 0.00 0.00 0.05 -4.82 105.19 107.65 2qee n GLY 273 Ca 0.08 -0.75 -0.33 0.00 0.00 0.00 0.00 46.02 45.02 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 6.47 0.00 1.61 1.01 -1.26 -0.78 116.67 122.72 2qee s ASP 274 Ca 0.46 0.51 0.00 0.00 0.71 0.00 0.00 52.55 54.23 2qee s ASP 274 Cb 0.25 -2.06 0.00 0.00 1.01 0.00 0.00 42.92 42.12 2qee s ASP 274 CO 0.29 0.17 0.00 0.33 0.21 0.00 0.00 175.17 176.17 2qee n PHE 275 N 0.59 0.00 -4.00 4.23 7.35 -0.08 -4.93 117.46 120.62 2qee n PHE 275 Ca -0.07 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.54 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 -0.77 0.14 0.04 -2.13 0.11 -1.26 -0.92 120.40 115.61 2qee s VAL 276 Ca 0.00 -1.13 -0.14 0.00 -2.93 0.00 0.00 61.98 57.78 2qee s VAL 276 Cb 0.00 -0.61 0.02 0.00 -1.53 0.00 0.00 36.38 34.26 2qee s VAL 276 CO 0.00 -0.62 0.31 -0.83 -3.33 0.00 0.00 175.10 170.63 2qee s GLY 277 N -1.85 -0.13 0.28 6.54 0.00 -0.50 -4.81 107.32 106.84 2qee s GLY 277 Ca -0.10 0.02 -0.29 0.00 0.00 0.00 0.00 44.72 44.35 2qee s GLY 277 CO -0.03 -0.20 1.25 1.25 0.00 0.00 0.00 173.10 175.37 2qee s LYS 278 N -2.56 4.44 0.21 2.90 2.20 -1.26 -4.43 119.74 121.23 2qee s LYS 278 Ca -0.05 2.06 0.06 0.00 -0.36 0.00 0.00 55.97 57.68 2qee s LYS 278 Cb -0.01 -3.14 -0.04 0.00 -1.51 0.00 0.00 37.83 33.14 2qee s LYS 278 CO -0.03 -0.10 0.16 0.00 -0.36 0.00 0.00 175.35 175.01 2qee s ALA 279 N -0.76 3.56 0.46 3.13 0.00 -1.26 -4.76 121.76 122.12 2qee s ALA 279 Ca 0.50 -1.32 -0.23 0.00 0.00 0.00 0.00 51.96 50.91 2qee s ALA 279 Cb -0.37 -1.31 -0.07 0.00 0.00 0.00 0.00 23.12 21.37 2qee s ALA 279 CO 0.45 0.38 1.19 0.45 0.00 0.00 0.00 175.76 178.24 2qee s SER 280 N -3.44 6.14 0.00 0.00 0.15 -1.25 -4.95 113.70 110.35 2qee s SER 280 Ca 0.32 2.38 0.27 0.00 0.70 0.00 0.00 55.95 59.61 2qee s SER 280 Cb -0.09 -2.61 0.90 0.00 -1.71 0.00 0.00 66.02 62.51 2qee s SER 280 CO 0.24 -0.94 1.66 0.23 1.20 0.00 0.00 173.24 175.63 2qee n MET 281 N -0.42 0.49 -0.31 5.44 2.81 -1.26 -4.44 117.12 119.44 2qee n MET 281 Ca 0.07 -0.23 0.03 0.00 -1.81 0.00 0.00 57.70 55.76 2qee n MET 281 Cb 0.47 -1.50 0.17 0.00 -0.71 0.00 0.00 33.22 31.66 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 0.56 0.75 -0.61 7.83 3.32 -1.93 -0.75 116.42 125.59 2qee h ASP 282 Ca 0.00 0.04 -0.10 0.00 0.02 0.00 0.00 57.03 56.99 2qee h ASP 282 Cb 0.45 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 2qee h ASP 282 CO 0.00 0.44 -0.01 1.23 -1.72 0.00 0.00 179.24 179.18 2qee h GLY 283 N 0.87 1.17 0.97 2.75 0.00 -1.78 -0.66 103.07 106.39 2qee h GLY 283 Ca 0.41 -0.86 -0.12 0.00 0.00 0.00 0.00 47.33 46.75 2qee h GLY 283 CO -0.23 0.80 -0.29 -2.08 0.00 0.00 0.00 176.54 174.74 2qee h VAL 284 N 0.98 1.30 -0.23 4.60 2.07 -1.75 -1.36 116.25 121.86 2qee h VAL 284 Ca 0.17 -1.45 0.04 0.00 0.82 0.00 0.00 66.70 66.28 2qee h VAL 284 Cb 0.57 1.57 -0.04 0.00 -1.52 0.00 0.00 31.29 31.88 2qee h VAL 284 CO 0.03 0.47 -0.01 -0.08 0.02 0.00 0.00 177.57 178.00 2qee h GLU 285 N 0.45 0.06 -0.23 1.57 4.81 -1.02 -0.48 114.58 119.74 2qee h GLU 285 Ca 0.05 -0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.32 2qee h GLU 285 Cb 0.86 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.18 2qee h GLU 285 CO 0.07 0.04 -0.05 1.25 -0.73 0.00 0.00 179.01 179.60 2qee h HIS 286 N 0.06 -0.10 -0.10 0.92 2.76 -1.04 -1.36 115.15 116.30 2qee h HIS 286 Ca 0.11 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.32 2qee h HIS 286 Cb 0.14 0.08 -0.03 0.00 1.55 0.00 0.00 27.41 29.15 2qee h HIS 286 CO -0.19 -0.09 -0.06 -0.07 -1.30 0.00 0.00 177.93 176.22 2qee h LEU 287 N 0.01 -0.18 -0.32 0.26 3.38 -0.82 0.13 115.31 117.78 2qee h LEU 287 Ca 0.11 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.18 2qee h LEU 287 Cb 0.16 0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 2qee h LEU 287 CO -0.23 -0.08 0.03 -0.07 0.09 0.00 0.00 178.44 178.18 2qee h LEU 288 N -0.05 -0.06 -0.04 1.67 3.38 -0.91 -1.64 115.31 117.65 2qee h LEU 288 Ca 0.06 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 2qee h LEU 288 Cb 0.14 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 2qee h LEU 288 CO -0.13 0.00 -0.02 -0.09 0.09 0.00 0.00 178.44 178.29 2qee h ARG 289 N 0.13 0.09 0.00 1.13 2.43 -1.06 -3.34 114.38 113.77 2qee h ARG 289 Ca 0.15 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 2qee h ARG 289 Cb 0.19 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 2qee h ARG 289 CO -0.23 0.48 -0.28 0.93 -1.51 0.00 0.00 179.97 179.36 2qee h GLU 290 N -0.30 0.00 -2.21 0.20 4.39 -0.73 -3.35 114.58 112.58 2qee h GLU 290 Ca 0.01 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 59.12 2qee h GLU 290 Cb 0.45 0.00 -0.42 0.00 -0.10 0.00 0.00 28.75 28.68 2qee h GLU 290 CO 0.01 0.00 -0.69 0.66 -1.16 0.00 0.00 179.01 177.83 2qee n TYR 291 N -2.29 3.31 0.36 4.33 4.01 -0.62 -4.92 117.16 121.33 2qee n TYR 291 Ca 0.04 -4.03 0.13 0.00 -0.16 0.00 0.00 57.90 53.89 2qee n TYR 291 Cb 0.45 -0.51 0.55 0.00 -0.31 0.00 0.00 39.34 39.52 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 3.58 0.00 -0.51 -0.72 0.13 -1.71 -0.60 132.00 132.17 2qee h PRO 292 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 2qee h PRO 292 Cb 0.63 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.76 2qee h PRO 292 CO 0.78 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.64 2qee n ASN 293 N -2.41 2.95 -4.63 1.44 4.13 -1.26 -4.89 115.26 110.59 2qee n ASN 293 Ca 0.01 -1.98 -0.30 0.00 1.68 0.00 0.00 54.58 54.00 2qee n ASN 293 Cb 0.23 -0.34 -0.09 0.00 -1.54 0.00 0.00 39.78 38.04 2qee n ASN 293 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 2qee s ASN 294 N -1.10 4.74 -0.08 6.41 -0.87 -0.23 -4.76 114.94 119.05 2qee s ASN 294 Ca 0.37 -0.25 0.00 0.00 -1.57 0.00 0.00 52.86 51.41 2qee s ASN 294 Cb 0.20 -1.05 -0.03 0.00 -0.02 0.00 0.00 41.25 40.35 2qee s ASN 294 CO 0.26 0.19 -0.05 -0.54 -2.57 0.00 0.00 177.10 174.39 2qee s LYS 295 N -2.16 2.84 -0.07 -0.60 1.02 -1.26 -4.87 119.74 114.65 2qee s LYS 295 Ca 0.23 -0.51 0.02 0.00 0.02 0.00 0.00 55.97 55.73 2qee s LYS 295 Cb -0.11 -2.65 0.01 0.00 -0.52 0.00 0.00 37.83 34.56 2qee s LYS 295 CO 0.15 0.66 -0.13 -0.06 -0.92 0.00 0.00 175.35 175.05 2qee s PHE 296 N -0.79 1.58 -0.22 3.18 0.08 -0.06 -0.28 117.98 121.48 2qee s PHE 296 Ca 0.12 -0.60 -0.11 0.00 0.12 0.00 0.00 56.93 56.46 2qee s PHE 296 Cb -0.11 -1.14 -0.05 0.00 -0.57 0.00 0.00 43.02 41.15 2qee s PHE 296 CO 0.02 -0.30 0.18 -0.51 -0.10 0.00 0.00 175.22 174.51 2qee s LEU 297 N 0.65 4.16 -0.01 -0.37 1.43 -0.37 -0.97 118.68 123.21 2qee s LEU 297 Ca -0.15 0.22 0.02 0.00 -1.03 0.00 0.00 54.13 53.20 2qee s LEU 297 Cb -0.16 -2.16 -0.00 0.00 0.03 0.00 0.00 46.19 43.90 2qee s LEU 297 CO 0.04 0.10 -0.07 -0.69 0.23 0.00 0.00 176.35 175.96 2qee s VAL 298 N 0.77 0.56 -0.00 -1.59 1.01 -0.46 -0.43 120.40 120.26 2qee s VAL 298 Ca 0.09 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 61.80 2qee s VAL 298 Cb -0.13 -0.48 -0.00 0.00 0.00 0.00 0.00 36.38 35.77 2qee s VAL 298 CO 0.02 0.16 -0.04 0.28 0.00 0.00 0.00 175.10 175.53 2qee s THR 299 N -0.09 0.33 0.19 3.92 -1.32 -0.97 -1.95 115.64 115.75 2qee s THR 299 Ca 0.02 -0.18 0.10 0.00 -1.21 0.00 0.00 61.69 60.42 2qee s THR 299 Cb -0.04 -0.28 -0.04 0.00 -1.51 0.00 0.00 72.50 70.63 2qee s THR 299 CO -0.00 0.09 -0.20 -0.04 -2.21 0.00 0.00 174.62 172.26 2qee s MET 300 N -0.10 1.42 -0.10 7.08 -1.94 -1.26 -1.17 119.30 123.23 2qee s MET 300 Ca 0.02 -1.51 0.16 0.00 -1.71 0.00 0.00 55.69 52.64 2qee s MET 300 Cb -0.02 -1.55 -0.23 0.00 2.01 0.00 0.00 34.83 35.04 2qee s MET 300 CO -0.00 0.32 0.42 -0.11 -0.01 0.00 0.00 175.02 175.63 2qee n LEU 301 N 0.10 0.46 -4.75 -0.03 7.94 0.36 -4.60 117.00 116.48 2qee n LEU 301 Ca -0.11 0.21 -0.40 0.00 -1.11 0.00 0.00 56.01 54.60 2qee n LEU 301 Cb 0.57 0.29 -0.05 0.00 0.53 0.00 0.00 43.42 44.76 2qee n LEU 301 CO 0.31 0.39 0.60 -0.55 -1.11 0.00 0.00 177.39 177.02 2qee s SER 302 N -5.72 7.47 0.35 1.96 0.15 -1.26 -4.55 113.70 112.10 2qee s SER 302 Ca -0.07 1.75 0.09 0.00 0.70 0.00 0.00 55.95 58.43 2qee s SER 302 Cb 0.08 -2.56 0.82 0.00 -1.71 0.00 0.00 66.02 62.64 2qee s SER 302 CO 0.83 0.06 1.84 -0.09 1.20 0.00 0.00 173.24 177.07 2qee h ARG 303 N 4.99 0.67 0.00 5.44 2.43 -1.94 -2.21 114.38 123.76 2qee h ARG 303 Ca -0.44 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 2qee h ARG 303 Cb 1.21 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 2qee h ARG 303 CO 0.70 0.44 0.00 0.39 -1.51 0.00 0.00 179.97 179.99 2qee n GLU 304 N -4.61 0.19 0.00 0.20 4.71 -1.26 -2.18 120.64 117.70 2qee n GLU 304 Ca 0.19 0.03 0.11 0.00 -0.01 0.00 0.00 57.16 57.49 2qee n GLU 304 Cb 0.53 -1.50 0.15 0.00 -1.01 0.00 0.00 31.44 29.61 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 -1.40 0.75 -0.07 1.62 5.03 -0.83 -4.67 115.26 115.70 2qee n ASN 305 Ca 0.10 -0.57 -0.14 0.00 0.87 0.00 0.00 54.58 54.84 2qee n ASN 305 Cb 0.27 0.46 -0.06 0.00 -1.02 0.00 0.00 39.78 39.43 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 0.21 0.55 -0.03 3.52 1.08 -1.51 -1.24 115.11 117.69 2qee h GLN 306 Ca 0.00 -0.32 -0.00 0.00 -1.45 0.00 0.00 58.65 56.88 2qee h GLN 306 Cb 0.51 0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.96 2qee h GLN 306 CO 0.00 0.91 0.01 1.25 -0.95 0.00 0.00 178.83 180.05 2qee h HIS 307 N 0.23 0.05 -0.03 2.96 2.76 -1.83 -2.17 115.15 117.12 2qee h HIS 307 Ca 0.03 -0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.12 2qee h HIS 307 Cb 0.84 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.77 2qee h HIS 307 CO 0.08 0.29 -0.31 1.05 -1.30 0.00 0.00 177.93 177.74 2qee h GLU 308 N -0.20 0.06 -0.71 5.26 4.11 -1.84 -1.72 114.58 119.54 2qee h GLU 308 Ca 0.01 -0.02 0.08 0.00 0.07 0.00 0.00 59.36 59.50 2qee h GLU 308 Cb 0.27 -0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.44 2qee h GLU 308 CO 0.00 0.37 0.37 1.25 0.07 0.00 0.00 179.01 181.07 2qee h LEU 309 N 0.06 0.51 -0.63 3.06 5.85 -1.06 0.80 115.31 123.90 2qee h LEU 309 Ca 0.01 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 2qee h LEU 309 Cb 0.59 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 2qee h LEU 309 CO 0.04 0.30 0.19 0.58 -0.34 0.00 0.00 178.44 179.21 2qee h VAL 310 N 0.64 1.25 -0.76 1.05 2.07 -0.68 -1.72 116.25 118.10 2qee h VAL 310 Ca 0.34 -0.85 -0.05 0.00 0.82 0.00 0.00 66.70 66.96 2qee h VAL 310 Cb 0.32 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 2qee h VAL 310 CO -0.24 0.32 0.28 0.58 0.02 0.00 0.00 177.57 178.54 2qee h VAL 311 N 0.90 1.26 -0.65 2.57 2.07 -0.93 -1.87 116.25 119.60 2qee h VAL 311 Ca 0.20 -0.83 -0.02 0.00 0.82 0.00 0.00 66.70 66.87 2qee h VAL 311 Cb 0.30 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 2qee h VAL 311 CO -0.01 0.34 0.32 0.25 0.02 0.00 0.00 177.57 178.49 2qee h LEU 312 N 1.11 0.83 -1.10 2.57 5.85 -0.36 -1.45 115.31 122.75 2qee h LEU 312 Ca 0.25 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 2qee h LEU 312 Cb 0.24 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 2qee h LEU 312 CO -0.02 0.70 0.34 0.00 -0.34 0.00 0.00 178.44 179.12 2qee h ALA 313 N 1.44 1.30 -0.44 1.25 0.00 -0.57 -1.08 119.26 121.15 2qee h ALA 313 Ca 0.23 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.06 2qee h ALA 313 Cb 0.08 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2qee h ALA 313 CO -0.03 0.55 0.30 0.00 0.00 0.00 0.00 179.25 180.07 2qee h ARG 314 N 0.98 0.37 0.10 0.00 3.08 -0.53 -3.10 114.38 115.27 2qee h ARG 314 Ca 0.24 -0.02 -0.27 0.00 0.07 0.00 0.00 59.98 60.00 2qee h ARG 314 Cb 0.08 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 2qee h ARG 314 CO -0.03 0.24 -1.30 0.87 -1.07 0.00 0.00 179.97 178.68 2qee h LYS 315 N 0.38 0.21 -4.29 0.04 1.79 -0.92 -3.46 116.57 110.32 2qee h LYS 315 Ca 0.19 -0.36 -0.58 0.00 -2.18 0.00 0.00 60.65 57.72 2qee h LYS 315 Cb 0.28 0.13 -0.38 0.00 -1.58 0.00 0.00 32.23 30.69 2qee h LYS 315 CO -0.05 1.13 -0.80 -0.06 -1.08 0.00 0.00 179.45 178.59 2qee s PHE 316 N -2.65 1.96 -0.62 -1.35 0.08 -0.81 -4.99 117.98 109.60 2qee s PHE 316 Ca -0.05 -1.29 0.24 0.00 0.12 0.00 0.00 56.93 55.96 2qee s PHE 316 Cb 0.07 -1.43 0.91 0.00 -0.57 0.00 0.00 43.02 42.01 2qee s PHE 316 CO 0.86 -0.67 1.73 -1.13 -0.10 0.00 0.00 175.22 175.92 2qee n SER 317 N 4.80 0.65 -0.51 1.36 3.41 -1.26 -1.86 113.62 120.22 2qee n SER 317 Ca -0.13 0.62 0.06 0.00 -0.26 0.00 0.00 58.87 59.16 2qee n SER 317 Cb 0.47 -0.77 0.21 0.00 -0.26 0.00 0.00 64.21 63.86 2qee n SER 317 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2qee n ASN 318 N -2.17 1.48 -4.60 4.04 6.94 -1.26 -4.73 115.26 114.95 2qee n ASN 318 Ca 0.04 -1.90 -0.36 0.00 -0.02 0.00 0.00 54.58 52.34 2qee n ASN 318 Cb 0.30 -0.16 -0.10 0.00 -2.36 0.00 0.00 39.78 37.46 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 -1.17 3.91 -0.19 -4.53 2.96 -0.78 -0.88 118.68 118.01 2qee s LEU 319 Ca 0.23 0.03 0.00 0.00 -0.22 0.00 0.00 54.13 54.17 2qee s LEU 319 Cb 0.12 -2.04 0.02 0.00 0.50 0.00 0.00 46.19 44.78 2qee s LEU 319 CO 0.17 0.05 -0.17 -0.32 -1.32 0.00 0.00 176.35 174.76 2qee s MET 320 N 1.12 3.04 0.15 1.98 -2.45 -0.14 -4.94 119.30 118.06 2qee s MET 320 Ca 0.06 -0.81 -0.11 0.00 -1.25 0.00 0.00 55.69 53.58 2qee s MET 320 Cb -0.14 -2.67 -0.07 0.00 1.25 0.00 0.00 34.83 33.21 2qee s MET 320 CO 0.04 -0.22 0.49 0.96 1.05 0.00 0.00 175.02 177.35 2qee s ILE 321 N 1.32 4.96 -0.05 10.11 -4.36 -1.26 -1.36 121.20 130.56 2qee s ILE 321 Ca 0.05 0.58 -0.04 0.00 -0.26 0.00 0.00 60.65 60.98 2qee s ILE 321 Cb -0.13 -3.67 0.02 0.00 1.25 0.00 0.00 42.46 39.92 2qee s ILE 321 CO -0.11 0.17 0.13 0.72 0.24 0.00 0.00 174.94 176.09 2qee s PHE 322 N -1.54 -0.14 0.07 1.37 -0.12 -0.82 -2.31 117.98 114.48 2qee s PHE 322 Ca 0.39 0.37 0.00 0.00 -0.05 0.00 0.00 56.93 57.64 2qee s PHE 322 Cb -0.14 -0.01 0.00 0.00 -0.63 0.00 0.00 43.02 42.25 2qee s PHE 322 CO 0.20 -0.10 0.00 0.41 -0.05 0.00 0.00 175.22 175.68 2qee n GLY 323 N 3.48 -2.30 3.00 1.99 0.00 -0.18 -4.43 105.19 106.76 2qee n GLY 323 Ca -0.18 -1.43 -0.31 0.00 0.00 0.00 0.00 46.02 44.10 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 0.54 3.39 0.00 0.00 -0.00 -1.26 -3.61 118.94 118.00 2qee s TRP 325 Ca 0.13 1.16 0.00 0.00 -0.00 0.00 0.00 56.10 57.38 2qee s TRP 325 Cb -0.21 -2.96 0.00 0.00 -0.00 0.00 0.00 33.47 30.29 2qee s TRP 325 CO -0.05 -0.24 0.00 1.87 -0.00 0.00 0.00 176.95 178.52 2qee n TRP 326 N 5.28 0.00 0.16 5.86 -0.00 -1.26 -0.93 117.44 126.56 2qee n TRP 326 Ca 0.03 0.00 0.04 0.00 -0.00 0.00 0.00 57.50 57.57 2qee n TRP 326 Cb 0.49 0.00 0.21 0.00 -0.00 0.00 0.00 31.31 32.01 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 0.20 1.00 5.87 3.72 -1.26 -0.57 117.46 126.41 2qee n PHE 327 Ca 0.00 0.09 0.11 0.00 -0.05 0.00 0.00 57.45 57.61 2qee n PHE 327 Cb 0.00 -0.65 0.12 0.00 -0.94 0.00 0.00 39.48 38.00 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 -1.70 0.01 -1.74 -1.08 2.81 -0.11 -4.60 117.12 110.72 2qee n MET 328 Ca 0.01 -0.01 -0.33 0.00 -1.81 0.00 0.00 57.70 55.55 2qee n MET 328 Cb 0.06 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.04 2qee n MET 328 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2qee n ASN 329 N -1.49 7.25 -4.06 7.83 5.15 0.26 -3.61 115.26 126.60 2qee n ASN 329 Ca 0.05 -3.17 -0.20 0.00 -0.60 0.00 0.00 54.58 50.66 2qee n ASN 329 Cb 0.33 -1.30 -0.15 0.00 -0.53 0.00 0.00 39.78 38.14 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 0.38 1.32 0.30 1.20 0.01 -1.26 -4.94 114.94 111.95 2qee s ASN 330 Ca 0.57 -0.21 0.05 0.00 -0.71 0.00 0.00 52.86 52.56 2qee s ASN 330 Cb 0.28 -0.15 0.82 0.00 0.41 0.00 0.00 41.25 42.61 2qee s ASN 330 CO -0.16 0.14 1.63 -0.65 -1.51 0.00 0.00 177.10 176.55 2qee h PRO 331 N 5.85 0.15 -0.82 -0.60 0.11 -1.97 0.12 132.00 134.84 2qee h PRO 331 Ca -0.32 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.75 2qee h PRO 331 Cb 1.17 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.21 2qee h PRO 331 CO 0.49 0.10 0.40 1.49 -0.21 0.00 0.00 178.00 180.27 2qee h GLU 332 N 0.15 1.19 0.10 1.05 4.57 -1.97 -0.99 114.58 118.68 2qee h GLU 332 Ca 0.61 -0.17 -0.18 0.00 -1.18 0.00 0.00 59.36 58.43 2qee h GLU 332 Cb 1.30 -0.21 0.02 0.00 -0.16 0.00 0.00 28.75 29.70 2qee h GLU 332 CO -0.72 0.91 -0.79 0.82 -1.18 0.00 0.00 179.01 178.06 2qee h ILE 333 N 1.17 1.48 -0.78 2.32 1.08 -1.35 -2.75 117.51 118.67 2qee h ILE 333 Ca 0.28 -2.41 0.10 0.00 -0.39 0.00 0.00 64.86 62.44 2qee h ILE 333 Cb 0.12 3.01 -0.07 0.00 -3.07 0.00 0.00 36.82 36.81 2qee h ILE 333 CO -0.04 0.69 0.43 0.40 -0.69 0.00 0.00 178.15 178.94 2qee h ILE 334 N -0.26 0.88 0.37 -0.67 2.04 -0.76 0.16 117.51 119.27 2qee h ILE 334 Ca -0.13 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.47 2qee h ILE 334 Cb 1.57 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.76 2qee h ILE 334 CO 0.15 0.13 -0.18 -1.13 0.00 0.00 0.00 178.15 177.12 2qee h ASN 335 N 0.71 -0.42 -0.60 1.72 -1.24 -1.24 0.52 115.58 115.03 2qee h ASN 335 Ca 0.38 -0.05 -0.10 0.00 0.71 0.00 0.00 56.30 57.24 2qee h ASN 335 Cb 0.37 0.11 -0.02 0.00 0.73 0.00 0.00 38.32 39.51 2qee h ASN 335 CO -0.26 -0.22 -0.01 1.05 -1.29 0.00 0.00 177.43 176.71 2qee h GLU 336 N -0.61 1.07 -0.50 6.67 4.11 -1.16 -0.99 114.58 123.16 2qee h GLU 336 Ca -0.05 -0.34 0.01 0.00 0.07 0.00 0.00 59.36 59.05 2qee h GLU 336 Cb 0.45 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 2qee h GLU 336 CO 0.08 1.04 0.33 0.52 0.07 0.00 0.00 179.01 181.06 2qee h MET 337 N 0.97 0.65 -0.16 1.06 2.86 -0.63 -1.54 114.93 118.15 2qee h MET 337 Ca 0.17 -0.04 -0.14 0.00 -2.06 0.00 0.00 59.70 57.63 2qee h MET 337 Cb 0.57 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 2qee h MET 337 CO 0.03 0.43 -0.50 1.15 1.06 0.00 0.00 176.91 179.09 2qee h THR 338 N 0.67 1.33 -0.23 2.22 2.02 -0.60 -0.18 112.91 118.14 2qee h THR 338 Ca 0.19 -1.72 -0.05 0.00 0.77 0.00 0.00 66.41 65.59 2qee h THR 338 Cb -0.07 1.75 -0.01 0.00 -1.74 0.00 0.00 68.15 68.09 2qee h THR 338 CO -0.05 0.53 -0.04 0.03 0.37 0.00 0.00 175.52 176.36 2qee h ARG 339 N 0.33 0.43 -0.71 6.66 3.08 -1.04 -1.05 114.38 122.08 2qee h ARG 339 Ca 0.02 -0.16 -0.03 0.00 0.07 0.00 0.00 59.98 59.88 2qee h ARG 339 Cb 0.99 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.98 2qee h ARG 339 CO 0.09 0.66 0.34 0.52 -1.07 0.00 0.00 179.97 180.51 2qee h MET 340 N 0.18 1.03 -0.25 0.04 2.86 -1.08 -0.63 114.93 117.08 2qee h MET 340 Ca 0.06 -0.15 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 2qee h MET 340 Cb 0.49 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 2qee h MET 340 CO 0.02 0.81 0.10 0.00 1.06 0.00 0.00 176.91 178.90 2qee h ARG 341 N 1.00 0.38 -0.29 1.72 3.08 -0.96 -2.40 114.38 116.90 2qee h ARG 341 Ca 0.24 -0.07 -0.15 0.00 0.07 0.00 0.00 59.98 60.07 2qee h ARG 341 Cb 0.12 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 2qee h ARG 341 CO -0.03 0.41 -0.43 1.98 -1.07 0.00 0.00 179.97 180.83 2qee h MET 342 N 0.26 0.74 -0.63 0.04 4.05 -0.96 0.13 114.93 118.56 2qee h MET 342 Ca 0.08 -0.40 -0.01 0.00 -0.28 0.00 0.00 59.70 59.10 2qee h MET 342 Cb 0.18 0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 30.97 2qee h MET 342 CO -0.01 1.02 0.36 0.93 0.23 0.00 0.00 176.91 179.44 2qee h GLU 343 N 0.59 0.86 0.00 0.39 5.08 -0.98 0.52 114.58 121.04 2qee h GLU 343 Ca 0.04 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2qee h GLU 343 Cb 0.98 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.06 2qee h GLU 343 CO 0.09 0.62 -1.50 -1.33 -1.00 0.00 0.00 179.01 175.89 2qee n MET 344 N -4.40 0.42 0.00 2.33 2.81 -0.92 -4.60 117.12 112.77 2qee n MET 344 Ca 0.06 -0.10 0.00 0.00 -1.81 0.00 0.00 57.70 55.85 2qee n MET 344 Cb 0.08 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.10 2qee n MET 344 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 2qee n LEU 345 N -1.88 0.62 0.00 4.03 4.77 0.44 -4.86 117.00 120.12 2qee n LEU 345 Ca -0.00 -0.62 0.00 0.00 -0.03 0.00 0.00 56.01 55.35 2qee n LEU 345 Cb 0.44 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 2qee n LEU 345 CO 0.43 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 2qee n GLY 346 N -0.01 4.22 0.89 -0.72 0.00 0.17 -1.67 105.19 108.07 2qee n GLY 346 Ca 0.00 0.12 0.07 0.00 0.00 0.00 0.00 46.02 46.22 2qee n GLY 346 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qee n THR 347 N 0.00 1.47 -1.11 2.61 -2.24 -1.26 -4.37 114.28 109.37 2qee n THR 347 Ca 0.00 -1.26 -0.16 0.00 -2.27 0.00 0.00 64.05 60.36 2qee n THR 347 Cb 0.00 0.25 -0.12 0.00 -2.10 0.00 0.00 70.33 68.35 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 0.40 5.63 -3.84 3.42 3.41 -0.67 -4.73 113.62 117.24 2qee n SER 348 Ca 0.17 -2.70 -0.08 0.00 -0.26 0.00 0.00 58.87 56.00 2qee n SER 348 Cb 0.63 -1.34 -0.03 0.00 -0.26 0.00 0.00 64.21 63.21 2qee n SER 348 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 2qee s PHE 349 N 0.10 0.11 -0.40 7.33 -0.12 -1.26 -4.84 117.98 118.90 2qee s PHE 349 Ca 0.60 -0.53 -0.07 0.00 -0.05 0.00 0.00 56.93 56.88 2qee s PHE 349 Cb 0.32 0.47 0.08 0.00 -0.63 0.00 0.00 43.02 43.26 2qee s PHE 349 CO -0.06 -1.15 0.21 0.42 -0.05 0.00 0.00 175.22 174.59 2qee s ILE 350 N -3.84 3.83 0.50 -4.49 1.01 -0.98 -4.71 121.20 112.53 2qee s ILE 350 Ca 0.17 -1.57 0.17 0.00 0.00 0.00 0.00 60.65 59.42 2qee s ILE 350 Cb -0.03 -3.40 0.25 0.00 0.01 0.00 0.00 42.46 39.29 2qee s ILE 350 CO 0.09 -0.51 2.11 1.55 0.00 0.00 0.00 174.94 178.17 2qee h PRO 351 N 8.26 0.00 -3.05 2.79 0.13 -1.86 -0.45 132.00 137.82 2qee h PRO 351 Ca -0.20 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.88 2qee h PRO 351 Cb 1.07 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.06 2qee h PRO 351 CO 0.72 0.07 0.04 -1.14 -0.23 0.00 0.00 178.00 177.45 2qee s GLN 352 N -4.84 1.10 0.09 0.86 2.00 -1.26 -3.46 119.66 114.15 2qee s GLN 352 Ca -0.05 -0.46 -0.08 0.00 -2.00 0.00 0.00 55.36 52.77 2qee s GLN 352 Cb 0.16 0.50 -0.00 0.00 0.80 0.00 0.00 33.01 34.47 2qee s GLN 352 CO 0.66 -0.43 0.19 -3.38 -0.50 0.00 0.00 175.29 171.82 2qee s HIS 353 N -3.25 0.18 -0.10 1.67 -3.43 -1.26 -4.66 115.29 104.43 2qee s HIS 353 Ca -0.01 -0.61 0.16 0.00 -0.80 0.00 0.00 55.06 53.80 2qee s HIS 353 Cb 0.00 -0.07 -0.21 0.00 -1.43 0.00 0.00 32.58 30.87 2qee s HIS 353 CO -0.08 -0.55 0.58 -1.13 -2.00 0.00 0.00 174.74 171.56 2qee n SER 354 N -0.06 0.63 -2.02 7.38 3.41 -1.25 -4.73 113.62 116.98 2qee n SER 354 Ca -0.15 0.29 -0.16 0.00 -0.26 0.00 0.00 58.87 58.60 2qee n SER 354 Cb 0.62 0.36 -0.03 0.00 -0.26 0.00 0.00 64.21 64.90 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 -2.88 -4.44 -4.72 4.04 -0.08 -0.12 -4.87 116.55 103.48 2qee n ASP 355 Ca -0.17 0.23 -0.42 0.00 -1.51 0.00 0.00 54.79 52.91 2qee n ASP 355 Cb 0.98 -3.86 -0.03 0.00 2.34 0.00 0.00 41.12 40.55 2qee n ASP 355 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2qee n ALA 356 N -0.94 2.73 -0.01 -1.67 0.00 -1.26 -4.36 120.51 115.00 2qee n ALA 356 Ca -0.17 0.40 0.09 0.00 0.00 0.00 0.00 53.44 53.76 2qee n ALA 356 Cb 0.59 -2.51 -0.15 0.00 0.00 0.00 0.00 19.45 17.38 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 3.60 0.61 -4.97 0.00 1.74 -1.26 -0.21 116.66 116.17 2qee n ARG 357 Ca 0.15 -0.18 -0.29 0.00 -0.77 0.00 0.00 57.85 56.76 2qee n ARG 357 Cb 0.35 -1.47 -0.17 0.00 -1.02 0.00 0.00 32.46 30.15 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 -3.35 1.68 0.29 1.55 1.01 -1.26 -4.41 120.40 115.91 2qee s VAL 358 Ca -0.07 -0.81 -0.02 0.00 0.00 0.00 0.00 61.98 61.08 2qee s VAL 358 Cb 0.12 -1.46 0.38 0.00 0.00 0.00 0.00 36.38 35.42 2qee s VAL 358 CO 0.82 0.48 1.59 0.25 0.00 0.00 0.00 175.10 178.24 2qee h LEU 359 N 6.66 -0.47 -0.84 3.92 5.85 -1.38 -0.61 115.31 128.43 2qee h LEU 359 Ca -0.26 0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2qee h LEU 359 Cb 1.21 0.45 0.00 0.00 0.37 0.00 0.00 40.66 42.69 2qee h LEU 359 CO 0.47 -0.29 0.00 -0.33 -0.34 0.00 0.00 178.44 177.95 2qee h GLU 360 N 0.04 0.00 0.00 1.25 3.07 -1.93 -2.56 114.58 114.45 2qee h GLU 360 Ca 0.53 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.38 2qee h GLU 360 Cb 1.03 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.94 2qee h GLU 360 CO -0.85 0.00 -0.05 1.96 -1.40 0.00 0.00 179.01 178.67 2qee h GLN 361 N 0.00 0.00 -0.91 2.33 4.20 -1.51 -1.22 115.11 118.00 2qee h GLN 361 Ca 0.00 0.00 0.14 0.00 0.06 0.00 0.00 58.65 58.85 2qee h GLN 361 Cb 0.47 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.17 2qee h GLN 361 CO 0.00 0.05 0.58 -0.07 -0.67 0.00 0.00 178.83 178.72 2qee h LEU 362 N 0.00 0.70 0.61 1.46 3.38 -1.63 -0.14 115.31 119.70 2qee h LEU 362 Ca -0.00 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 2qee h LEU 362 Cb 0.19 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 2qee h LEU 362 CO 0.01 0.36 -0.36 0.40 0.09 0.00 0.00 178.44 178.94 2qee h ILE 363 N 0.75 0.27 -0.16 1.22 2.04 -1.45 -2.62 117.51 117.56 2qee h ILE 363 Ca 0.46 0.00 -0.22 0.00 1.00 0.00 0.00 64.86 66.09 2qee h ILE 363 Cb 0.67 0.27 0.01 0.00 -0.74 0.00 0.00 36.82 37.03 2qee h ILE 363 CO -0.22 0.00 -0.78 0.10 0.00 0.00 0.00 178.15 177.26 2qee h TYR 364 N -0.91 1.07 -0.84 1.37 -0.00 -1.60 -1.18 116.97 114.89 2qee h TYR 364 Ca -0.08 -0.47 0.04 0.00 0.00 0.00 0.00 58.73 58.23 2qee h TYR 364 Cb 0.73 -0.17 -0.05 0.00 0.00 0.00 0.00 36.73 37.24 2qee h TYR 364 CO -0.09 1.30 0.53 0.87 -0.00 0.00 0.00 178.16 180.78 2qee h LYS 365 N 0.54 0.98 0.19 0.10 1.79 -1.08 0.16 116.57 119.25 2qee h LYS 365 Ca -0.05 -0.06 -0.28 0.00 -2.18 0.00 0.00 60.65 58.07 2qee h LYS 365 Cb 1.41 -0.22 0.02 0.00 -1.58 0.00 0.00 32.23 31.86 2qee h LYS 365 CO 0.16 0.65 -1.30 -1.49 -1.08 0.00 0.00 179.45 176.39 2qee h TRP 366 N 1.01 0.75 -0.30 -1.35 4.06 -1.48 -2.72 115.95 115.92 2qee h TRP 366 Ca 0.35 -0.54 0.06 0.00 2.06 0.00 0.00 58.89 60.81 2qee h TRP 366 Cb 0.07 -0.03 -0.06 0.00 -1.00 0.00 0.00 29.16 28.14 2qee h TRP 366 CO -0.03 1.50 -0.08 1.25 -3.56 0.00 0.00 178.44 177.53 2qee h HIS 367 N -0.08 -0.16 -0.10 0.49 2.76 -1.08 0.81 115.15 117.79 2qee h HIS 367 Ca -0.24 0.03 -0.17 0.00 -2.20 0.00 0.00 60.37 57.79 2qee h HIS 367 Cb 1.95 0.12 -0.01 0.00 1.55 0.00 0.00 27.41 31.02 2qee h HIS 367 CO 0.15 -0.13 -0.66 0.45 -1.30 0.00 0.00 177.93 176.44 2qee h HIS 368 N -0.00 0.53 0.21 5.26 3.86 -0.77 -2.83 115.15 121.40 2qee h HIS 368 Ca 0.14 -0.21 -0.31 0.00 -1.16 0.00 0.00 60.37 58.83 2qee h HIS 368 Cb 0.22 -0.09 0.03 0.00 1.06 0.00 0.00 27.41 28.64 2qee h HIS 368 CO -0.29 0.94 -1.32 0.77 0.86 0.00 0.00 177.93 178.89 2qee h SER 369 N 0.29 0.80 -0.96 2.45 0.02 -1.43 -3.25 113.55 111.48 2qee h SER 369 Ca -0.02 -0.90 0.07 0.00 -0.84 0.00 0.00 61.79 60.10 2qee h SER 369 Cb 1.21 -0.26 -0.07 0.00 0.14 0.00 0.00 62.40 63.42 2qee h SER 369 CO 0.11 1.64 0.62 0.11 -1.14 0.00 0.00 176.83 178.17 2qee h LYS 370 N 0.09 1.05 -0.56 3.45 1.57 -0.83 0.80 116.57 122.14 2qee h LYS 370 Ca -0.22 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.42 2qee h LYS 370 Cb 2.03 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 34.08 2qee h LYS 370 CO 0.25 0.69 0.05 0.66 -0.57 0.00 0.00 179.45 180.54 2qee h SER 371 N 1.08 0.93 -0.13 0.86 4.64 -1.57 0.84 113.55 120.20 2qee h SER 371 Ca 0.42 -0.28 -0.02 0.00 -0.47 0.00 0.00 61.79 61.44 2qee h SER 371 Cb 0.23 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 2qee h SER 371 CO -0.17 0.98 0.01 0.40 -0.87 0.00 0.00 176.83 177.18 2qee h ILE 372 N 0.85 1.23 -0.98 0.95 2.04 -1.50 -2.10 117.51 117.99 2qee h ILE 372 Ca 0.17 -0.74 0.02 0.00 1.00 0.00 0.00 64.86 65.31 2qee h ILE 372 Cb 0.47 1.46 -0.05 0.00 -0.74 0.00 0.00 36.82 37.96 2qee h ILE 372 CO 0.02 0.22 0.65 0.40 0.00 0.00 0.00 178.15 179.43 2qee h ILE 373 N -0.01 1.22 -0.39 -0.67 2.04 -0.65 -1.61 117.51 117.43 2qee h ILE 373 Ca 0.04 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.46 2qee h ILE 373 Cb 0.32 -0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.19 2qee h ILE 373 CO 0.00 0.24 0.26 0.00 0.00 0.00 0.00 178.15 178.65 2qee h ALA 374 N 1.40 0.50 -0.46 1.87 0.00 -0.68 -0.49 119.26 121.40 2qee h ALA 374 Ca 0.37 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.19 2qee h ALA 374 Cb -0.09 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 2qee h ALA 374 CO -0.10 -0.03 0.06 0.93 0.00 0.00 0.00 179.25 180.11 2qee h GLU 375 N 0.53 0.73 -0.15 0.00 4.39 -0.67 0.30 114.58 119.71 2qee h GLU 375 Ca 0.14 -0.16 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 2qee h GLU 375 Cb -0.05 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.49 2qee h GLU 375 CO -0.03 0.70 0.03 0.28 -1.16 0.00 0.00 179.01 178.83 2qee h VAL 376 N 0.69 1.21 -0.64 3.13 2.07 -0.75 -2.26 116.25 119.71 2qee h VAL 376 Ca 0.15 -0.67 0.07 0.00 0.82 0.00 0.00 66.70 67.07 2qee h VAL 376 Cb 0.34 1.37 -0.06 0.00 -1.52 0.00 0.00 31.29 31.42 2qee h VAL 376 CO 0.01 0.20 0.31 -0.07 0.02 0.00 0.00 177.57 178.04 2qee h LEU 377 N 0.04 0.42 -0.27 2.57 3.38 -0.61 -0.49 115.31 120.34 2qee h LEU 377 Ca 0.05 0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.10 2qee h LEU 377 Cb 0.28 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 2qee h LEU 377 CO 0.00 0.26 0.08 0.40 0.09 0.00 0.00 178.44 179.28 2qee h ILE 378 N 0.57 0.91 -0.27 1.22 2.04 -0.76 0.14 117.51 121.36 2qee h ILE 378 Ca 0.30 -0.07 0.04 0.00 1.00 0.00 0.00 64.86 66.13 2qee h ILE 378 Cb 0.27 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.01 2qee h ILE 378 CO -0.23 0.04 0.05 0.44 0.00 0.00 0.00 178.15 178.44 2qee h ASP 379 N 0.20 -0.00 -0.56 1.72 3.32 -0.98 0.18 116.42 120.30 2qee h ASP 379 Ca 0.12 0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.16 2qee h ASP 379 Cb 0.10 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 2qee h ASP 379 CO -0.14 0.03 0.13 0.11 -1.72 0.00 0.00 179.24 177.66 2qee h LYS 380 N 0.15 0.90 -0.46 3.56 6.56 -0.64 -1.11 116.57 125.53 2qee h LYS 380 Ca 0.12 -0.22 -0.09 0.00 -1.06 0.00 0.00 60.65 59.40 2qee h LYS 380 Cb 0.13 -0.12 -0.01 0.00 -0.57 0.00 0.00 32.23 31.66 2qee h LYS 380 CO -0.17 0.85 -0.07 1.88 -2.06 0.00 0.00 179.45 179.87 2qee h TYR 381 N 0.80 0.96 -0.81 -1.35 0.05 -0.57 -2.69 116.97 113.36 2qee h TYR 381 Ca 0.17 -0.19 0.00 0.00 0.05 0.00 0.00 58.73 58.76 2qee h TYR 381 Cb 0.35 -0.24 -0.04 0.00 1.01 0.00 0.00 36.73 37.82 2qee h TYR 381 CO 0.02 0.94 0.53 0.22 -1.05 0.00 0.00 178.16 178.82 2qee h ASP 382 N 0.71 0.95 -0.83 3.88 3.58 -0.51 0.75 116.42 124.95 2qee h ASP 382 Ca 0.12 -0.04 -0.02 0.00 0.42 0.00 0.00 57.03 57.52 2qee h ASP 382 Cb 0.61 -0.24 -0.04 0.00 1.72 0.00 0.00 39.33 41.38 2qee h ASP 382 CO 0.04 0.70 0.46 0.44 -2.88 0.00 0.00 179.24 178.00 2qee h ASP 383 N 1.11 1.04 0.70 2.28 3.32 -1.04 -0.06 116.42 123.77 2qee h ASP 383 Ca 0.30 -0.09 -0.18 0.00 0.02 0.00 0.00 57.03 57.08 2qee h ASP 383 Cb -0.10 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.16 2qee h ASP 383 CO -0.06 0.83 -0.84 0.16 -1.72 0.00 0.00 179.24 177.61 2qee h ILE 384 N 1.17 1.54 -0.78 0.35 3.07 -1.08 -2.83 117.51 118.95 2qee h ILE 384 Ca 0.29 -2.70 0.00 0.00 1.55 0.00 0.00 64.86 64.00 2qee h ILE 384 Cb 0.02 2.48 -0.04 0.00 -0.27 0.00 0.00 36.82 39.02 2qee h ILE 384 CO -0.05 0.78 0.50 -0.07 -1.05 0.00 0.00 178.15 178.26 2qee h LEU 385 N 0.05 0.92 -1.68 0.16 3.38 -0.51 -1.57 115.31 116.07 2qee h LEU 385 Ca -0.03 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 2qee h LEU 385 Cb 1.47 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 2qee h LEU 385 CO 0.12 0.69 0.02 1.56 0.09 0.00 0.00 178.44 180.91 2qee h GLN 386 N 1.07 0.22 -0.07 1.13 1.08 -0.91 -0.54 115.11 117.09 2qee h GLN 386 Ca 0.28 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.46 2qee h GLN 386 Cb -0.08 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.30 2qee h GLN 386 CO -0.06 0.23 0.00 0.00 -0.95 0.00 0.00 178.83 178.05 2qee n ALA 387 N -2.50 2.57 0.00 3.87 0.00 -0.68 -4.91 120.51 118.85 2qee n ALA 387 Ca -0.01 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.14 2qee n ALA 387 Cb 0.15 -1.20 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 0.94 0.08 3.73 0.00 0.00 -0.21 -5.06 105.19 104.67 2qee n GLY 388 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 2qee n GLY 388 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2qee s TRP 389 N -2.00 3.20 -0.87 1.61 -0.11 -0.68 -4.99 118.94 115.10 2qee s TRP 389 Ca 0.00 1.12 -0.17 0.00 1.22 0.00 0.00 56.10 58.27 2qee s TRP 389 Cb 0.00 -3.67 0.17 0.00 -1.50 0.00 0.00 33.47 28.47 2qee s TRP 389 CO 0.00 -2.17 0.96 -2.00 -4.62 0.00 0.00 176.95 169.11 2qee s GLU 390 N 0.05 3.58 0.11 5.86 2.56 -1.26 -4.08 118.70 125.52 2qee s GLU 390 Ca 0.59 -2.05 -0.31 0.00 0.00 0.00 0.00 54.97 53.20 2qee s GLU 390 Cb -0.38 -4.68 -0.08 0.00 2.00 0.00 0.00 34.13 30.99 2qee s GLU 390 CO 0.38 -1.56 1.36 0.08 -0.56 0.00 0.00 175.26 174.96 2qee s VAL 391 N 1.59 3.41 0.22 3.70 1.01 -1.26 -5.04 120.40 124.03 2qee s VAL 391 Ca 0.26 1.01 0.05 0.00 0.00 0.00 0.00 61.98 63.30 2qee s VAL 391 Cb -0.08 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 2qee s VAL 391 CO -0.09 0.08 0.32 0.42 0.00 0.00 0.00 175.10 175.83 2qee s THR 392 N 1.08 5.15 0.38 3.92 -4.23 -1.26 -4.53 115.64 116.14 2qee s THR 392 Ca 0.64 -0.98 0.06 0.00 -1.18 0.00 0.00 61.69 60.23 2qee s THR 392 Cb -0.36 -3.76 0.21 0.00 1.34 0.00 0.00 72.50 69.94 2qee s THR 392 CO 0.30 -0.27 1.97 -0.08 -0.54 0.00 0.00 174.62 176.00 2qee h GLU 393 N 1.46 0.50 -0.33 3.99 4.81 -1.96 -1.44 114.58 121.61 2qee h GLU 393 Ca -0.51 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 58.55 2qee h GLU 393 Cb 1.22 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 2qee h GLU 393 CO 0.63 0.44 -0.25 0.93 -0.73 0.00 0.00 179.01 180.02 2qee h GLU 394 N 0.50 0.65 -0.44 1.92 4.39 -1.99 -0.82 114.58 118.79 2qee h GLU 394 Ca 0.12 -0.26 -0.10 0.00 0.34 0.00 0.00 59.36 59.46 2qee h GLU 394 Cb 0.14 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 2qee h GLU 394 CO -0.01 0.84 -0.10 0.93 -1.16 0.00 0.00 179.01 179.51 2qee h GLU 395 N 0.57 0.84 -0.31 2.33 5.08 -1.80 -1.46 114.58 119.83 2qee h GLU 395 Ca 0.08 -0.32 0.05 0.00 -1.00 0.00 0.00 59.36 58.17 2qee h GLU 395 Cb 0.72 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.88 2qee h GLU 395 CO 0.06 0.95 0.03 0.82 -1.00 0.00 0.00 179.01 179.86 2qee h ILE 396 N 0.67 0.80 -0.62 3.13 2.04 -1.04 -0.26 117.51 122.24 2qee h ILE 396 Ca 0.11 -0.04 -0.00 0.00 1.00 0.00 0.00 64.86 65.93 2qee h ILE 396 Cb 0.64 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 2qee h ILE 396 CO 0.04 0.02 0.38 0.11 0.00 0.00 0.00 178.15 178.71 2qee h LYS 397 N 0.12 0.83 0.00 2.37 1.57 -0.96 -0.82 116.57 119.69 2qee h LYS 397 Ca 0.15 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2qee h LYS 397 Cb 0.19 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.32 2qee h LYS 397 CO -0.23 0.57 -0.00 -0.09 -0.57 0.00 0.00 179.45 179.14 2qee h ARG 398 N 0.85 -0.00 -0.78 3.15 2.43 -0.82 -1.04 114.38 118.18 2qee h ARG 398 Ca 0.22 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.44 2qee h ARG 398 Cb -0.05 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.45 2qee h ARG 398 CO -0.04 0.51 0.48 -0.44 -1.51 0.00 0.00 179.97 178.96 2qee h ASP 399 N -0.51 0.76 -0.75 -3.80 3.32 -0.75 -0.21 116.42 114.47 2qee h ASP 399 Ca -0.00 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 2qee h ASP 399 Cb 0.51 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.88 2qee h ASP 399 CO 0.00 0.50 0.27 0.58 -1.72 0.00 0.00 179.24 178.87 2qee h VAL 400 N 0.90 1.26 -0.84 -1.35 2.07 -1.09 -1.19 116.25 116.00 2qee h VAL 400 Ca 0.33 -0.86 -0.02 0.00 0.82 0.00 0.00 66.70 66.98 2qee h VAL 400 Cb 0.12 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 30.25 2qee h VAL 400 CO -0.15 0.34 0.46 0.00 0.02 0.00 0.00 177.57 178.24 2qee h ALA 401 N 1.14 1.23 0.09 1.67 0.00 -0.40 -1.31 119.26 121.68 2qee h ALA 401 Ca 0.25 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2qee h ALA 401 Cb 0.26 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 2qee h ALA 401 CO -0.01 0.62 -0.05 -0.44 0.00 0.00 0.00 179.25 179.37 2qee h ASP 402 N 1.17 -0.13 -0.34 0.00 3.32 -0.61 0.19 116.42 120.03 2qee h ASP 402 Ca 0.30 0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.25 2qee h ASP 402 Cb 0.03 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 2qee h ASP 402 CO -0.05 -0.09 -0.14 -0.07 -1.72 0.00 0.00 179.24 177.17 2qee h LEU 403 N -0.14 0.78 0.00 1.55 3.38 -0.94 -1.07 115.31 118.88 2qee h LEU 403 Ca -0.01 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2qee h LEU 403 Cb 0.11 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.65 2qee h LEU 403 CO 0.01 0.94 -0.94 0.49 0.09 0.00 0.00 178.44 179.03 2qee n PHE 404 N -4.15 0.05 0.16 1.13 3.72 -0.52 -4.17 117.46 113.69 2qee n PHE 404 Ca 0.01 0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 2qee n PHE 404 Cb 0.39 -0.16 0.00 0.00 -0.94 0.00 0.00 39.48 38.76 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 -1.62 -2.35 0.12 4.37 2.88 -0.45 -1.46 113.62 115.10 2qee n SER 405 Ca 0.04 0.61 -0.00 0.00 -1.33 0.00 0.00 58.87 58.19 2qee n SER 405 Cb 0.36 2.31 0.29 0.00 -0.75 0.00 0.00 64.21 66.42 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 0.19 -0.73 -1.46 3.08 -0.65 -2.97 114.38 111.83 2qee h ARG 406 Ca 0.00 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 59.98 2qee h ARG 406 Cb 0.00 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.00 2qee h ARG 406 CO 0.00 0.51 0.48 -0.91 -1.07 0.00 0.00 179.97 178.99 2qee h ASN 407 N 0.16 0.84 0.29 7.04 2.35 -1.41 0.28 115.58 125.14 2qee h ASN 407 Ca 0.02 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 2qee h ASN 407 Cb 0.69 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.85 2qee h ASN 407 CO 0.05 0.61 -0.14 0.15 -1.65 0.00 0.00 177.43 176.45 2qee h PHE 408 N 0.99 -0.36 -0.52 1.19 3.57 -1.76 -1.69 116.94 118.37 2qee h PHE 408 Ca 0.27 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.72 2qee h PHE 408 Cb -0.11 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 2qee h PHE 408 CO -0.02 -0.09 0.14 -1.49 -2.23 0.00 0.00 178.31 174.62 2qee h TRP 409 N -0.60 0.79 -0.29 0.41 4.06 -1.44 -0.37 115.95 118.52 2qee h TRP 409 Ca -0.04 -0.06 0.00 0.00 2.06 0.00 0.00 58.89 60.85 2qee h TRP 409 Cb 0.43 -0.24 -0.01 0.00 -1.00 0.00 0.00 29.16 28.34 2qee h TRP 409 CO -0.00 0.66 0.18 -0.09 -3.56 0.00 0.00 178.44 175.63 2qee h ARG 410 N 0.75 0.39 -0.35 0.49 2.43 -0.91 -1.02 114.38 116.16 2qee h ARG 410 Ca 0.17 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.21 2qee h ARG 410 Cb 0.25 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 2qee h ARG 410 CO -0.01 0.29 -0.18 0.35 -1.51 0.00 0.00 179.97 178.91 2qee h PHE 411 N 0.38 0.87 0.00 2.20 3.57 -0.35 -2.75 116.94 120.85 2qee h PHE 411 Ca 0.10 -0.22 0.00 0.00 3.53 0.00 0.00 57.97 61.39 2qee h PHE 411 Cb -0.01 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.53 2qee h PHE 411 CO -0.05 0.95 0.00 -0.39 -2.23 0.00 0.00 178.31 176.59 2qee h VAL 412 N 0.54 0.00 0.00 1.41 -1.51 -1.11 -3.47 116.25 112.11 2qee h VAL 412 Ca 0.08 -0.46 0.00 0.00 -1.23 0.00 0.00 66.70 65.09 2qee h VAL 412 Cb 0.73 1.42 0.00 0.00 -2.13 0.00 0.00 31.29 31.31 2qee h VAL 412 CO 0.05 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.00