#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qee n LEU 1 N 0.00 3.13 0.00 -3.43 7.94 -1.26 -4.91 117.00 118.47 2qee n LEU 1 Ca 0.00 1.06 -0.06 0.00 -1.11 0.00 0.00 56.01 55.89 2qee n LEU 1 Cb 0.00 -1.40 0.01 0.00 0.53 0.00 0.00 43.42 42.56 2qee n LEU 1 CO 0.00 -0.26 0.26 -1.54 -1.11 0.00 0.00 177.39 174.75 2qee n SER 2 N 4.24 -1.24 -4.66 1.96 3.41 -1.26 -4.80 113.62 111.28 2qee n SER 2 Ca 0.19 -2.01 -0.42 0.00 -0.26 0.00 0.00 58.87 56.37 2qee n SER 2 Cb 0.28 2.11 -0.04 0.00 -0.26 0.00 0.00 64.21 66.30 2qee n SER 2 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2qee s ILE 3 N -2.51 4.83 -0.42 -1.33 1.01 -0.82 -4.91 121.20 117.05 2qee s ILE 3 Ca 0.12 1.67 0.23 0.00 0.00 0.00 0.00 60.65 62.66 2qee s ILE 3 Cb -0.02 -4.15 -0.10 0.00 0.01 0.00 0.00 42.46 38.19 2qee s ILE 3 CO 0.09 -0.05 0.98 -3.20 0.00 0.00 0.00 174.94 172.75 2qee n ASN 4 N 5.72 0.60 -3.93 3.58 5.15 -1.26 -4.84 115.26 120.28 2qee n ASN 4 Ca 0.06 0.01 -0.08 0.00 -0.60 0.00 0.00 54.58 53.96 2qee n ASN 4 Cb 0.48 0.81 -0.08 0.00 -0.53 0.00 0.00 39.78 40.46 2qee n ASN 4 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 2qee s SER 5 N -4.46 0.24 0.41 1.20 1.04 -1.26 -5.03 113.70 105.84 2qee s SER 5 Ca 0.01 -0.75 0.08 0.00 0.48 0.00 0.00 55.95 55.77 2qee s SER 5 Cb 0.13 0.29 0.86 0.00 0.10 0.00 0.00 66.02 67.39 2qee s SER 5 CO 0.81 -0.67 2.03 -0.09 0.98 0.00 0.00 173.24 176.29 2qee h ARG 6 N 2.94 0.46 -0.33 4.02 2.43 -1.98 0.06 114.38 121.97 2qee h ARG 6 Ca -0.34 -0.04 -0.17 0.00 -0.81 0.00 0.00 59.98 58.62 2qee h ARG 6 Cb 1.18 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.63 2qee h ARG 6 CO 0.59 0.35 -0.45 0.93 -1.51 0.00 0.00 179.97 179.88 2qee h GLU 7 N 0.46 0.89 -0.29 0.20 3.07 -1.99 0.76 114.58 117.68 2qee h GLU 7 Ca 0.12 -0.51 -0.14 0.00 -0.50 0.00 0.00 59.36 58.33 2qee h GLU 7 Cb 0.04 0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 27.99 2qee h GLU 7 CO -0.02 1.16 -0.35 0.28 -1.40 0.00 0.00 179.01 178.68 2qee h VAL 8 N 0.69 1.30 -0.40 3.13 2.07 -1.91 -2.23 116.25 118.90 2qee h VAL 8 Ca 0.04 -1.53 0.08 0.00 0.82 0.00 0.00 66.70 66.11 2qee h VAL 8 Cb 1.05 1.60 -0.08 0.00 -1.52 0.00 0.00 31.29 32.34 2qee h VAL 8 CO 0.11 0.49 -0.12 0.25 0.02 0.00 0.00 177.57 178.31 2qee h LEU 9 N 0.50 -0.44 -0.66 2.57 5.85 -0.78 0.19 115.31 122.54 2qee h LEU 9 Ca 0.04 0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.90 2qee h LEU 9 Cb 0.93 0.27 -0.04 0.00 0.37 0.00 0.00 40.66 42.20 2qee h LEU 9 CO 0.08 -0.16 0.43 0.00 -0.34 0.00 0.00 178.44 178.46 2qee h ALA 10 N 1.34 0.84 -0.54 1.25 0.00 -0.68 0.16 119.26 121.64 2qee h ALA 10 Ca 0.19 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 2qee h ALA 10 Cb 0.33 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2qee h ALA 10 CO -0.43 0.23 0.14 0.93 0.00 0.00 0.00 179.25 180.13 2qee h GLU 11 N 0.87 0.85 -0.24 0.00 4.39 -0.80 -1.09 114.58 118.56 2qee h GLU 11 Ca 0.25 -0.20 -0.17 0.00 0.34 0.00 0.00 59.36 59.58 2qee h GLU 11 Cb -0.07 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.46 2qee h GLU 11 CO -0.07 0.80 -0.53 0.87 -1.16 0.00 0.00 179.01 178.92 2qee h LYS 12 N 0.75 0.70 -0.02 2.33 1.57 -0.53 -0.76 116.57 120.60 2qee h LYS 12 Ca 0.17 -0.43 -0.00 0.00 -1.87 0.00 0.00 60.65 58.52 2qee h LYS 12 Cb 0.32 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.68 2qee h LYS 12 CO -0.00 1.05 0.00 0.28 -0.57 0.00 0.00 179.45 180.21 2qee h VAL 13 N 0.54 1.24 -0.65 0.50 2.07 -0.60 -0.06 116.25 119.29 2qee h VAL 13 Ca 0.02 -0.72 0.06 0.00 0.82 0.00 0.00 66.70 66.88 2qee h VAL 13 Cb 1.10 1.69 -0.06 0.00 -1.52 0.00 0.00 31.29 32.50 2qee h VAL 13 CO 0.11 0.19 0.35 0.11 0.02 0.00 0.00 177.57 178.34 2qee h LYS 14 N -0.26 0.61 -0.29 1.57 1.57 -1.10 -0.07 116.57 118.59 2qee h LYS 14 Ca 0.01 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 2qee h LYS 14 Cb 0.31 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 2qee h LYS 14 CO 0.00 0.41 0.12 -0.91 -0.57 0.00 0.00 179.45 178.50 2qee h ASN 15 N 0.63 0.40 -0.46 0.86 -0.26 -1.05 -0.33 115.58 115.37 2qee h ASN 15 Ca 0.30 -0.15 0.04 0.00 -0.56 0.00 0.00 56.30 55.92 2qee h ASN 15 Cb 0.22 -0.10 -0.04 0.00 -1.06 0.00 0.00 38.32 37.33 2qee h ASN 15 CO -0.20 0.44 0.23 0.00 -1.06 0.00 0.00 177.43 176.84 2qee h ALA 16 N 0.97 0.58 -0.37 -0.83 0.00 -0.60 0.07 119.26 119.08 2qee h ALA 16 Ca 0.10 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2qee h ALA 16 Cb 0.16 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2qee h ALA 16 CO -0.01 -0.13 0.10 0.28 0.00 0.00 0.00 179.25 179.49 2qee h VAL 17 N 0.45 1.22 -0.64 0.00 2.07 -0.88 -1.08 116.25 117.39 2qee h VAL 17 Ca 0.20 -0.74 -0.08 0.00 0.82 0.00 0.00 66.70 66.90 2qee h VAL 17 Cb 0.12 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 2qee h VAL 17 CO -0.15 0.25 0.08 0.78 0.02 0.00 0.00 177.57 178.55 2qee h ASN 18 N 0.44 1.04 1.29 0.57 2.35 -0.88 -3.05 115.58 117.33 2qee h ASN 18 Ca 0.12 -0.26 0.00 0.00 -0.55 0.00 0.00 56.30 55.61 2qee h ASN 18 Cb 0.29 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.38 2qee h ASN 18 CO -0.00 1.05 -0.12 0.59 -1.65 0.00 0.00 177.43 177.30 2qee n ASN 19 N -4.20 0.68 -4.67 5.81 3.02 -0.00 -4.84 115.26 111.06 2qee n ASN 19 Ca 0.04 0.47 -0.43 0.00 -0.03 0.00 0.00 54.58 54.63 2qee n ASN 19 Cb 0.31 -0.57 -0.02 0.00 -0.61 0.00 0.00 39.78 38.88 2qee n ASN 19 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 2qee s GLN 20 N -3.10 4.29 0.26 3.52 2.00 -0.42 -4.97 119.66 121.24 2qee s GLN 20 Ca 0.10 1.52 -0.30 0.00 -2.00 0.00 0.00 55.36 54.68 2qee s GLN 20 Cb 0.14 -3.65 -0.10 0.00 0.80 0.00 0.00 33.01 30.19 2qee s GLN 20 CO 0.61 -0.58 1.39 -2.14 -0.50 0.00 0.00 175.29 174.07 2qee s PRO 21 N 2.95 4.31 -0.04 1.67 0.02 -1.26 -4.94 135.00 137.71 2qee s PRO 21 Ca 0.50 2.24 -0.18 0.00 0.02 0.00 0.00 61.00 63.58 2qee s PRO 21 Cb -0.19 -3.12 -0.05 0.00 0.02 0.00 0.00 34.50 31.16 2qee s PRO 21 CO 0.13 -0.34 0.49 0.08 -0.33 0.00 0.00 177.00 177.03 2qee s VAL 22 N -0.20 5.03 -0.22 3.83 1.01 -0.06 -4.70 120.40 125.08 2qee s VAL 22 Ca 0.57 1.01 -0.18 0.00 0.00 0.00 0.00 61.98 63.38 2qee s VAL 22 Cb -0.40 -3.82 -0.03 0.00 0.00 0.00 0.00 36.38 32.12 2qee s VAL 22 CO 0.44 0.44 0.49 -0.89 0.00 0.00 0.00 175.10 175.58 2qee s THR 23 N -0.24 5.12 -0.46 3.92 2.01 -0.40 -1.01 115.64 124.58 2qee s THR 23 Ca 0.27 0.86 -0.11 0.00 0.31 0.00 0.00 61.69 63.02 2qee s THR 23 Cb -0.17 -3.81 0.10 0.00 0.01 0.00 0.00 72.50 68.63 2qee s THR 23 CO 0.14 0.17 0.35 -0.62 -0.69 0.00 0.00 174.62 173.96 2qee s ASP 24 N 1.26 5.84 0.00 3.53 -1.08 0.16 -4.72 116.67 121.66 2qee s ASP 24 Ca 0.22 -1.64 0.16 0.00 -0.52 0.00 0.00 52.55 50.77 2qee s ASP 24 Cb -0.15 -2.07 0.56 0.00 -1.46 0.00 0.00 42.92 39.80 2qee s ASP 24 CO 0.09 -0.66 1.42 1.15 0.52 0.00 0.00 175.17 177.69 2qee n MET 25 N 5.02 1.73 -3.35 4.34 0.00 -1.26 -0.94 117.12 122.66 2qee n MET 25 Ca -0.10 -1.12 -0.02 0.00 0.00 0.00 0.00 57.70 56.46 2qee n MET 25 Cb 0.42 -1.33 -0.04 0.00 0.00 0.00 0.00 33.22 32.26 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 -1.69 -1.26 0.28 3.17 5.65 -1.26 -4.74 115.29 115.44 2qee s HIS 26 Ca 0.28 1.58 0.03 0.00 0.25 0.00 0.00 55.06 57.20 2qee s HIS 26 Cb 0.15 0.44 -0.04 0.00 -1.18 0.00 0.00 32.58 31.95 2qee s HIS 26 CO 0.21 -0.75 0.20 0.95 -0.65 0.00 0.00 174.74 174.70 2qee s THR 27 N 2.76 0.07 -0.27 0.89 -4.23 -0.29 -1.18 115.64 113.38 2qee s THR 27 Ca 0.11 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.71 2qee s THR 27 Cb -0.14 -2.50 0.46 0.00 1.34 0.00 0.00 72.50 71.66 2qee s THR 27 CO -0.18 0.00 1.33 1.41 -0.54 0.00 0.00 174.62 176.64 2qee n HIS 28 N -0.48 1.04 -3.30 3.99 8.25 0.11 -2.44 115.22 122.38 2qee n HIS 28 Ca 0.04 -1.74 -0.21 0.00 -0.26 0.00 0.00 57.72 55.55 2qee n HIS 28 Cb 0.64 -0.40 0.00 0.00 1.12 0.00 0.00 29.99 31.35 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 -3.34 3.87 0.09 2.41 1.43 -1.20 -4.63 118.68 117.31 2qee s LEU 29 Ca 0.44 0.09 0.04 0.00 -1.03 0.00 0.00 54.13 53.67 2qee s LEU 29 Cb 0.40 -2.98 -0.03 0.00 0.03 0.00 0.00 46.19 43.60 2qee s LEU 29 CO -0.02 -0.50 -0.11 -0.36 0.23 0.00 0.00 176.35 175.59 2qee s PHE 30 N -2.33 1.06 0.27 0.29 0.08 -1.26 -4.38 117.98 111.70 2qee s PHE 30 Ca 0.45 -0.59 -0.30 0.00 0.12 0.00 0.00 56.93 56.61 2qee s PHE 30 Cb -0.10 -0.59 -0.13 0.00 -0.57 0.00 0.00 43.02 41.63 2qee s PHE 30 CO 0.34 0.01 1.28 0.45 -0.10 0.00 0.00 175.22 177.20 2qee n SER 31 N 0.83 2.33 0.28 1.36 2.88 -1.26 -4.78 113.62 115.26 2qee n SER 31 Ca -0.18 1.17 0.13 0.00 -1.33 0.00 0.00 58.87 58.65 2qee n SER 31 Cb 0.56 -1.39 0.80 0.00 -0.75 0.00 0.00 64.21 63.43 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 3.29 0.00 0.00 -1.46 0.13 -1.93 -0.18 132.00 131.84 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 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2qee h PRO 32 CO 0.69 0.05 0.00 -2.95 -0.23 0.00 0.00 178.00 175.56 2qee h ASN 33 N 0.00 0.00 0.37 1.44 -1.07 -1.94 -1.40 115.58 112.98 2qee h ASN 33 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2qee h ASN 33 Cb 0.12 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.37 2qee h ASN 33 CO 0.01 0.00 0.00 0.49 0.07 0.00 0.00 177.43 178.00 2qee n PHE 34 N -2.54 0.00 -3.90 4.14 3.01 -0.08 -5.00 117.46 113.09 2qee n PHE 34 Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2qee n PHE 34 Cb 0.15 -0.24 0.00 0.00 -0.01 0.00 0.00 39.48 39.37 2qee n PHE 34 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2qee n GLY 35 N 0.66 0.20 0.33 1.37 0.00 -0.53 -4.35 105.19 102.88 2qee n GLY 35 Ca 0.12 -0.99 0.19 0.00 0.00 0.00 0.00 46.02 45.34 2qee n GLY 35 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2qee h GLU 36 N 0.00 0.00 0.00 1.61 4.39 -1.94 -1.82 114.58 116.82 2qee h GLU 36 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 2qee h GLU 36 Cb 0.00 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2qee h GLU 36 CO 0.00 0.00 -0.03 -0.84 -1.16 0.00 0.00 179.01 176.98 2qee h ILE 37 N 0.00 0.11 -2.93 3.13 3.07 -1.95 -3.38 117.51 115.56 2qee h ILE 37 Ca 0.03 -0.43 -0.56 0.00 1.55 0.00 0.00 64.86 65.45 2qee h ILE 37 Cb 0.28 1.38 -0.05 0.00 -0.27 0.00 0.00 36.82 38.16 2qee h ILE 37 CO -0.00 0.03 1.15 -0.22 -1.05 0.00 0.00 178.15 178.06 2qee s LEU 38 N -6.34 3.51 -0.01 0.16 2.96 -0.69 -4.75 118.68 113.52 2qee s LEU 38 Ca -0.01 0.81 -0.21 0.00 -0.22 0.00 0.00 54.13 54.50 2qee s LEU 38 Cb 0.11 -3.36 -0.05 0.00 0.50 0.00 0.00 46.19 43.38 2qee s LEU 38 CO 0.52 -1.64 0.61 -0.76 -1.32 0.00 0.00 176.35 173.77 2qee s LEU 39 N 6.24 4.41 0.13 -0.68 1.43 -1.26 -5.00 118.68 123.95 2qee s LEU 39 Ca 0.65 1.18 -0.22 0.00 -1.03 0.00 0.00 54.13 54.71 2qee s LEU 39 Cb -0.15 -2.95 0.06 0.00 0.03 0.00 0.00 46.19 43.17 2qee s LEU 39 CO 0.31 0.08 0.55 -1.66 0.23 0.00 0.00 176.35 175.86 2qee s TRP 40 N -0.09 -0.46 0.00 0.29 1.48 -1.26 -0.31 118.94 118.59 2qee s TRP 40 Ca 0.32 0.29 0.00 0.00 -1.06 0.00 0.00 56.10 55.65 2qee s TRP 40 Cb -0.18 0.47 0.00 0.00 -1.16 0.00 0.00 33.47 32.60 2qee s TRP 40 CO 0.18 -0.79 0.00 -0.40 -4.06 0.00 0.00 176.95 171.88 2qee n ASP 41 N -0.22 0.00 -0.15 -2.66 5.68 -1.26 -4.61 116.55 113.33 2qee n ASP 41 Ca -0.17 0.00 -0.03 0.00 -0.50 0.00 0.00 54.79 54.09 2qee n ASP 41 Cb 0.64 0.00 0.19 0.00 -1.14 0.00 0.00 41.12 40.81 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 1.22 -0.55 2.12 6.09 -1.96 -0.54 117.51 123.90 2qee h ILE 42 Ca 0.00 -0.75 -0.04 0.00 -1.37 0.00 0.00 64.86 62.70 2qee h ILE 42 Cb 0.00 0.56 -0.03 0.00 0.47 0.00 0.00 36.82 37.83 2qee h ILE 42 CO 0.00 0.29 0.19 0.44 -3.07 0.00 0.00 178.15 176.00 2qee h ASP 43 N 0.86 0.75 -0.22 2.19 3.32 -1.95 -0.45 116.42 120.92 2qee h ASP 43 Ca 0.20 -0.11 -0.13 0.00 0.02 0.00 0.00 57.03 57.01 2qee h ASP 43 Cb 0.23 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 2qee h ASP 43 CO -0.01 0.70 -0.36 -0.33 -1.72 0.00 0.00 179.24 177.52 2qee h GLU 44 N 0.80 0.64 -0.39 3.56 4.39 -1.63 -2.01 114.58 119.93 2qee h GLU 44 Ca 0.19 -0.39 0.07 0.00 0.34 0.00 0.00 59.36 59.57 2qee h GLU 44 Cb 0.21 0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 28.83 2qee h GLU 44 CO -0.01 1.00 -0.03 -0.07 -1.16 0.00 0.00 179.01 178.73 2qee h LEU 45 N 0.34 -0.23 -1.22 1.33 3.38 -0.96 -1.89 115.31 116.05 2qee h LEU 45 Ca 0.02 0.10 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 2qee h LEU 45 Cb 0.95 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 2qee h LEU 45 CO 0.08 -0.07 -0.32 -0.07 0.09 0.00 0.00 178.44 178.15 2qee h LEU 46 N 0.07 0.00 -2.77 1.67 3.38 -1.03 -3.08 115.31 113.55 2qee h LEU 46 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2qee h LEU 46 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2qee h LEU 46 CO -0.35 0.32 0.00 0.35 0.09 0.00 0.00 178.44 178.85 2qee n THR 47 N -3.68 0.99 -1.44 0.22 -2.24 -0.76 -4.66 114.28 102.72 2qee n THR 47 Ca -0.01 -1.00 -0.46 0.00 -2.27 0.00 0.00 64.05 60.31 2qee n THR 47 Cb 0.43 0.51 -0.02 0.00 -2.10 0.00 0.00 70.33 69.14 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 1.46 -0.23 0.23 4.78 9.36 -0.74 -4.70 117.16 127.32 2qee n TYR 48 Ca 0.22 0.85 0.08 0.00 3.32 0.00 0.00 57.90 62.38 2qee n TYR 48 Cb 0.59 -2.01 0.54 0.00 -0.63 0.00 0.00 39.34 37.83 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 1.15 0.00 -0.90 2.98 2.07 -1.92 -0.98 115.15 117.55 2qee h HIS 49 Ca -0.32 0.00 0.08 0.00 -2.85 0.00 0.00 60.37 57.28 2qee h HIS 49 Cb 1.41 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 31.33 2qee h HIS 49 CO 0.42 0.23 0.58 1.88 -3.07 0.00 0.00 177.93 177.97 2qee h TYR 50 N 0.00 1.01 0.00 6.12 -1.99 -1.93 -1.76 116.97 118.42 2qee h TYR 50 Ca -0.00 0.03 -0.21 0.00 2.00 0.00 0.00 58.73 60.54 2qee h TYR 50 Cb 0.51 -0.33 -0.03 0.00 2.00 0.00 0.00 36.73 38.88 2qee h TYR 50 CO 0.00 0.50 -1.01 -0.07 -0.00 0.00 0.00 178.16 177.58 2qee h LEU 51 N 0.97 0.01 -0.32 3.88 3.38 -1.49 -2.75 115.31 118.98 2qee h LEU 51 Ca 0.40 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.39 2qee h LEU 51 Cb 0.29 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 2qee h LEU 51 CO -0.16 1.01 0.13 0.58 0.09 0.00 0.00 178.44 180.08 2qee h VAL 52 N 0.00 0.93 -0.34 1.22 2.07 -0.97 0.43 116.25 119.58 2qee h VAL 52 Ca -0.02 -0.09 0.05 0.00 0.82 0.00 0.00 66.70 67.46 2qee h VAL 52 Cb 1.78 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 32.13 2qee h VAL 52 CO 0.13 0.05 0.06 0.00 0.02 0.00 0.00 177.57 177.83 2qee h ALA 53 N 1.20 0.36 -0.60 1.67 0.00 -1.33 -1.47 119.26 119.08 2qee h ALA 53 Ca 0.14 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 2qee h ALA 53 Cb 0.10 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2qee h ALA 53 CO -0.13 -0.34 -0.02 0.93 0.00 0.00 0.00 179.25 179.69 2qee h GLU 54 N 0.18 1.07 -0.12 0.00 5.08 -1.16 -2.77 114.58 116.86 2qee h GLU 54 Ca 0.16 -0.35 -0.11 0.00 -1.00 0.00 0.00 59.36 58.06 2qee h GLU 54 Cb 0.19 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2qee h GLU 54 CO -0.22 1.05 -0.44 -0.24 -1.00 0.00 0.00 179.01 178.16 2qee h VAL 55 N 0.97 1.32 0.00 3.13 3.04 -0.57 -2.27 116.25 121.86 2qee h VAL 55 Ca 0.17 -1.59 0.00 0.00 -1.01 0.00 0.00 66.70 64.27 2qee h VAL 55 Cb 0.58 1.71 0.00 0.00 -2.01 0.00 0.00 31.29 31.57 2qee h VAL 55 CO 0.03 0.48 0.00 0.24 -1.01 0.00 0.00 177.57 177.31 2qee h MET 56 N 0.22 0.00 0.00 4.17 2.86 -0.99 0.52 114.93 121.71 2qee h MET 56 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2qee h MET 56 Cb 0.86 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.52 2qee h MET 56 CO 0.07 0.00 0.00 0.00 1.06 0.00 0.00 176.91 178.04 2qee h ARG 57 N 0.00 0.00 0.00 1.72 3.08 -1.32 -3.37 114.38 114.49 2qee h ARG 57 Ca 0.00 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.89 2qee h ARG 57 Cb 0.32 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.35 2qee h ARG 57 CO 0.00 0.00 -1.60 0.91 -1.07 0.00 0.00 179.97 178.21 2qee n TRP 58 N -2.79 0.00 -2.85 3.04 7.02 -0.15 -5.07 117.44 116.64 2qee n TRP 58 Ca 0.02 0.00 -0.33 0.00 -1.02 0.00 0.00 57.50 56.18 2qee n TRP 58 Cb 0.36 -0.41 -0.06 0.00 -2.42 0.00 0.00 31.31 28.77 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 -2.21 4.50 -1.33 -0.99 -1.32 -0.01 -4.95 115.64 109.33 2qee s THR 59 Ca -0.11 1.27 0.26 0.00 -1.21 0.00 0.00 61.69 61.91 2qee s THR 59 Cb 0.03 -3.62 0.15 0.00 -1.51 0.00 0.00 72.50 67.55 2qee s THR 59 CO 0.28 -0.34 1.53 0.47 -2.21 0.00 0.00 174.62 174.35 2qee n ASP 60 N -0.71 0.68 -4.74 8.08 8.00 -1.26 -4.89 116.55 121.71 2qee n ASP 60 Ca 0.06 -0.48 -0.42 0.00 0.71 0.00 0.00 54.79 54.66 2qee n ASP 60 Cb 0.54 0.15 -0.02 0.00 -0.02 0.00 0.00 41.12 41.76 2qee n ASP 60 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2qee s VAL 61 N -2.77 2.59 0.66 2.53 1.01 -1.26 -4.98 120.40 118.18 2qee s VAL 61 Ca 0.17 0.47 -0.14 0.00 0.00 0.00 0.00 61.98 62.49 2qee s VAL 61 Cb 0.18 -3.30 -0.00 0.00 0.00 0.00 0.00 36.38 33.26 2qee s VAL 61 CO 0.61 0.06 1.07 -0.94 0.00 0.00 0.00 175.10 175.91 2qee s SER 62 N 0.64 5.35 0.25 3.32 1.04 -1.26 -4.85 113.70 118.19 2qee s SER 62 Ca 0.63 1.81 -0.05 0.00 0.48 0.00 0.00 55.95 58.83 2qee s SER 62 Cb -0.43 -2.53 0.34 0.00 0.10 0.00 0.00 66.02 63.50 2qee s SER 62 CO 0.40 -1.46 1.87 -0.29 0.98 0.00 0.00 173.24 174.74 2qee h ILE 63 N -0.15 1.09 -0.38 -1.02 6.09 -1.98 0.09 117.51 121.25 2qee h ILE 63 Ca -0.46 -0.38 0.01 0.00 -1.37 0.00 0.00 64.86 62.67 2qee h ILE 63 Cb 1.23 -0.10 -0.02 0.00 0.47 0.00 0.00 36.82 38.39 2qee h ILE 63 CO 0.56 0.20 0.23 -0.33 -3.07 0.00 0.00 178.15 175.74 2qee h GLU 64 N 1.10 0.46 -0.69 2.19 3.07 -1.94 -1.62 114.58 117.14 2qee h GLU 64 Ca 0.39 -0.03 -0.06 0.00 -0.50 0.00 0.00 59.36 59.17 2qee h GLU 64 Cb 0.12 -0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 27.89 2qee h GLU 64 CO -0.16 0.30 0.21 0.00 -1.40 0.00 0.00 179.01 177.97 2qee h ALA 65 N 1.16 1.06 -0.13 3.43 0.00 -1.73 -2.04 119.26 121.01 2qee h ALA 65 Ca 0.15 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.86 2qee h ALA 65 Cb -0.01 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 2qee h ALA 65 CO -0.06 0.63 -0.00 0.35 0.00 0.00 0.00 179.25 180.17 2qee h PHE 66 N 1.03 -0.02 0.00 0.00 3.57 -0.54 -2.15 116.94 118.83 2qee h PHE 66 Ca 0.22 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.70 2qee h PHE 66 Cb 0.30 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.06 2qee h PHE 66 CO 0.02 -0.02 -0.14 -1.49 -2.23 0.00 0.00 178.31 174.45 2qee h TRP 67 N 0.04 0.00 0.00 0.41 -0.00 -1.04 -1.83 115.95 113.53 2qee h TRP 67 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.95 2qee h TRP 67 Cb 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.24 2qee h TRP 67 CO -0.15 0.14 0.00 0.00 -0.00 0.00 0.00 178.44 178.44 2qee h ALA 68 N 1.86 1.00 -2.39 1.49 0.00 -0.82 -3.46 119.26 116.94 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 0.57 0.00 0.09 0.00 0.00 0.00 0.00 17.79 18.45 2qee h ALA 68 CO 0.02 0.00 0.37 -1.64 0.00 0.00 0.00 179.25 178.00 2qee s MET 69 N -3.31 2.99 0.78 0.00 -1.94 -0.69 -5.04 119.30 112.09 2qee s MET 69 Ca 0.06 1.25 -0.11 0.00 -1.71 0.00 0.00 55.69 55.18 2qee s MET 69 Cb 0.06 -1.99 0.06 0.00 2.01 0.00 0.00 34.83 34.98 2qee s MET 69 CO 0.63 -1.08 1.09 -1.54 -0.01 0.00 0.00 175.02 174.11 2qee s SER 70 N -2.85 4.45 0.24 3.03 1.04 -1.26 -4.79 113.70 113.55 2qee s SER 70 Ca 0.64 1.73 -0.05 0.00 0.48 0.00 0.00 55.95 58.75 2qee s SER 70 Cb -0.18 -2.45 0.44 0.00 0.10 0.00 0.00 66.02 63.93 2qee s SER 70 CO 0.42 -2.06 1.71 0.50 0.98 0.00 0.00 173.24 174.79 2qee h LYS 71 N -1.15 0.34 -0.60 4.02 3.64 -1.96 -0.68 116.57 120.18 2qee h LYS 71 Ca -0.45 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 58.92 2qee h LYS 71 Cb 1.24 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.95 2qee h LYS 71 CO 0.53 0.22 0.39 -0.09 -2.27 0.00 0.00 179.45 178.23 2qee h ARG 72 N 0.35 0.77 -0.62 1.90 2.43 -1.93 -0.09 114.38 117.18 2qee h ARG 72 Ca 0.40 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.46 2qee h ARG 72 Cb 0.64 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.99 2qee h ARG 72 CO -0.44 0.51 0.14 0.93 -1.51 0.00 0.00 179.97 179.59 2qee h GLU 73 N 0.80 1.00 -0.19 0.20 5.08 -1.72 -0.14 114.58 119.60 2qee h GLU 73 Ca 0.22 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2qee h GLU 73 Cb -0.07 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 2qee h GLU 73 CO -0.06 0.92 0.13 1.96 -1.00 0.00 0.00 179.01 180.96 2qee h GLN 74 N 0.92 0.25 -0.67 2.33 4.20 -0.82 -1.05 115.11 120.27 2qee h GLN 74 Ca 0.19 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.87 2qee h GLN 74 Cb 0.38 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.07 2qee h GLN 74 CO 0.01 0.17 0.37 0.00 -0.67 0.00 0.00 178.83 178.70 2qee h ALA 75 N 1.07 0.86 -0.41 3.87 0.00 -0.73 -0.27 119.26 123.64 2qee h ALA 75 Ca 0.07 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.91 2qee h ALA 75 Cb -0.03 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.46 2qee h ALA 75 CO -0.02 0.38 0.19 -0.44 0.00 0.00 0.00 179.25 179.36 2qee h ASP 76 N 0.92 0.26 -0.12 0.00 3.32 -0.82 -0.56 116.42 119.41 2qee h ASP 76 Ca 0.24 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.31 2qee h ASP 76 Cb 0.04 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 2qee h ASP 76 CO -0.04 0.19 0.07 0.25 -1.72 0.00 0.00 179.24 177.99 2qee h LEU 77 N 0.38 0.15 -0.68 1.55 5.85 -0.62 -1.63 115.31 120.31 2qee h LEU 77 Ca 0.18 -0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.88 2qee h LEU 77 Cb 0.12 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.06 2qee h LEU 77 CO -0.15 0.17 0.41 0.40 -0.34 0.00 0.00 178.44 178.93 2qee h ILE 78 N 0.12 1.06 0.32 4.05 2.04 -0.91 0.09 117.51 124.28 2qee h ILE 78 Ca 0.04 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 2qee h ILE 78 Cb 0.05 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.33 2qee h ILE 78 CO -0.01 0.15 -0.16 -0.25 0.00 0.00 0.00 178.15 177.88 2qee h TRP 79 N 0.80 -0.42 -0.49 1.37 2.91 -0.97 -0.23 115.95 118.92 2qee h TRP 79 Ca 0.28 -0.01 0.01 0.00 1.13 0.00 0.00 58.89 60.30 2qee h TRP 79 Cb 0.06 0.14 -0.03 0.00 -0.51 0.00 0.00 29.16 28.82 2qee h TRP 79 CO -0.05 -0.26 0.31 1.49 -1.03 0.00 0.00 178.44 178.90 2qee h GLU 80 N -0.44 0.60 0.08 2.65 4.57 -1.04 -0.94 114.58 120.06 2qee h GLU 80 Ca -0.04 -0.04 -0.26 0.00 -1.18 0.00 0.00 59.36 57.84 2qee h GLU 80 Cb 0.34 -0.14 0.01 0.00 -0.16 0.00 0.00 28.75 28.80 2qee h GLU 80 CO 0.07 0.40 -1.13 0.93 -1.18 0.00 0.00 179.01 178.09 2qee h GLU 81 N 0.62 0.36 0.00 1.92 4.39 -0.81 -0.16 114.58 120.90 2qee h GLU 81 Ca 0.19 -0.50 0.00 0.00 0.34 0.00 0.00 59.36 59.38 2qee h GLU 81 Cb -0.02 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 2qee h GLU 81 CO -0.07 1.19 -1.31 1.28 -1.16 0.00 0.00 179.01 178.95 2qee n LEU 82 N -3.65 0.29 -0.05 1.33 4.77 -0.11 -3.75 117.00 115.83 2qee n LEU 82 Ca -0.09 -0.20 -0.07 0.00 -0.03 0.00 0.00 56.01 55.62 2qee n LEU 82 Cb 0.95 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.99 2qee n LEU 82 CO 0.53 0.07 -0.82 0.49 -1.33 0.00 0.00 177.39 176.34 2qee n PHE 83 N -1.76 0.00 -0.09 -1.77 3.72 -0.41 -3.26 117.46 113.90 2qee n PHE 83 Ca -0.01 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.18 2qee n PHE 83 Cb 0.34 -0.39 -0.12 0.00 -0.94 0.00 0.00 39.48 38.37 2qee n PHE 83 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 2qee h ILE 84 N 0.00 0.89 0.00 4.37 1.08 -1.17 -3.39 117.51 119.29 2qee h ILE 84 Ca -0.22 -2.21 -0.05 0.00 -0.39 0.00 0.00 64.86 61.99 2qee h ILE 84 Cb 1.36 2.28 -0.01 0.00 -3.07 0.00 0.00 36.82 37.39 2qee h ILE 84 CO -0.03 0.40 -0.32 0.11 -0.69 0.00 0.00 178.15 177.61 2qee h LYS 85 N -0.85 0.00 -4.62 2.37 1.57 -1.21 -3.44 116.57 110.38 2qee h LYS 85 Ca -0.35 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.18 2qee h LYS 85 Cb 1.40 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 33.54 2qee h LYS 85 CO -0.16 0.21 -0.71 1.03 -0.57 0.00 0.00 179.45 179.24 2qee s ARG 86 N -3.11 0.71 0.30 3.15 3.00 -1.25 -5.04 118.95 116.72 2qee s ARG 86 Ca 0.05 -1.11 -0.29 0.00 0.00 0.00 0.00 55.73 54.38 2qee s ARG 86 Cb 0.06 -0.24 -0.10 0.00 0.00 0.00 0.00 34.95 34.67 2qee s ARG 86 CO 0.71 0.01 1.26 -1.12 0.00 0.00 0.00 175.30 176.16 2qee s SER 87 N -2.47 6.91 -1.34 0.23 0.01 -1.26 -3.54 113.70 112.24 2qee s SER 87 Ca 0.03 2.54 -0.10 0.00 1.31 0.00 0.00 55.95 59.73 2qee s SER 87 Cb -0.01 -2.64 -0.07 0.00 0.21 0.00 0.00 66.02 63.52 2qee s SER 87 CO -0.03 -0.44 2.55 -0.81 0.41 0.00 0.00 173.24 174.92 2qee n PRO 88 N 1.19 2.97 0.14 12.44 -0.04 -1.20 -4.63 135.00 145.87 2qee n PRO 88 Ca 0.01 -2.01 0.12 0.00 -0.04 0.00 0.00 63.50 61.58 2qee n PRO 88 Cb 0.43 -2.77 0.11 0.00 -0.04 0.00 0.00 33.50 31.23 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 3.36 0.00 -4.27 0.52 -1.51 -1.90 -3.15 116.25 109.31 2qee h VAL 89 Ca 0.69 -0.90 -0.52 0.00 -1.23 0.00 0.00 66.70 64.75 2qee h VAL 89 Cb 0.32 1.63 0.20 0.00 -2.13 0.00 0.00 31.29 31.31 2qee h VAL 89 CO 1.71 0.00 0.22 -0.94 -1.23 0.00 0.00 177.57 177.33 2qee s SER 90 N -5.48 2.85 0.16 4.19 1.04 -1.26 -4.72 113.70 110.48 2qee s SER 90 Ca 0.04 2.21 -0.15 0.00 0.48 0.00 0.00 55.95 58.53 2qee s SER 90 Cb 0.08 -2.57 0.06 0.00 0.10 0.00 0.00 66.02 63.70 2qee s SER 90 CO 0.72 -3.15 1.81 -0.08 0.98 0.00 0.00 173.24 173.52 2qee h GLU 91 N -1.91 0.54 -0.45 4.02 4.57 -1.97 0.13 114.58 119.51 2qee h GLU 91 Ca -0.43 -0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 57.65 2qee h GLU 91 Cb 1.27 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 29.72 2qee h GLU 91 CO 0.41 0.36 -0.02 0.00 -1.18 0.00 0.00 179.01 178.58 2qee h ALA 92 N 1.19 1.13 -0.06 2.92 0.00 -1.95 0.50 119.26 122.99 2qee h ALA 92 Ca 0.18 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 2qee h ALA 92 Cb -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.61 2qee h ALA 92 CO -0.07 0.56 -0.33 0.00 0.00 0.00 0.00 179.25 179.40 2qee h ARG 94 N -0.16 0.21 -0.66 0.00 2.43 -0.64 -2.05 114.38 113.52 2qee h ARG 94 Ca -0.02 -0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.23 2qee h ARG 94 Cb 0.99 -0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 30.42 2qee h ARG 94 CO 0.07 0.14 0.29 0.78 -1.51 0.00 0.00 179.97 179.74 2qee h GLY 95 N 0.22 0.97 0.40 2.80 0.00 -0.72 0.30 103.07 107.04 2qee h GLY 95 Ca 0.37 -0.16 0.11 0.00 0.00 0.00 0.00 47.33 47.64 2qee h GLY 95 CO -0.50 0.00 0.40 -2.08 0.00 0.00 0.00 176.54 174.37 2qee h VAL 96 N 0.49 0.82 -0.39 4.60 2.07 -1.04 -1.49 116.25 121.31 2qee h VAL 96 Ca 0.34 -0.22 -0.09 0.00 0.82 0.00 0.00 66.70 67.54 2qee h VAL 96 Cb 0.40 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 2qee h VAL 96 CO -0.30 0.12 -0.10 -0.07 0.02 0.00 0.00 177.57 177.23 2qee h LEU 97 N 0.65 0.77 -0.96 2.57 3.38 -1.01 -1.81 115.31 118.89 2qee h LEU 97 Ca 0.40 -0.37 0.11 0.00 0.09 0.00 0.00 57.88 58.10 2qee h LEU 97 Cb 0.46 -0.21 -0.08 0.00 0.09 0.00 0.00 40.66 40.92 2qee h LEU 97 CO -0.30 0.96 0.60 0.74 0.09 0.00 0.00 178.44 180.53 2qee h THR 98 N 0.57 0.94 0.20 0.22 2.02 -0.36 -1.10 112.91 115.41 2qee h THR 98 Ca 0.10 -0.34 -0.01 0.00 0.77 0.00 0.00 66.41 66.93 2qee h THR 98 Cb 0.63 -0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 2qee h THR 98 CO 0.04 0.18 -0.09 0.00 0.37 0.00 0.00 175.52 176.01 2qee h LEU 100 N -0.34 0.12 -0.46 0.00 3.38 -0.96 -1.57 115.31 115.48 2qee h LEU 100 Ca -0.03 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.01 2qee h LEU 100 Cb 0.27 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 2qee h LEU 100 CO 0.04 0.10 0.28 -0.61 0.09 0.00 0.00 178.44 178.34 2qee h GLN 101 N 0.27 0.54 -0.79 1.13 4.15 -1.13 -0.46 115.11 118.83 2qee h GLN 101 Ca 0.18 -0.03 0.08 0.00 0.77 0.00 0.00 58.65 59.65 2qee h GLN 101 Cb 0.17 -0.12 -0.05 0.00 0.21 0.00 0.00 27.48 27.69 2qee h GLN 101 CO -0.19 0.36 0.52 0.78 -1.93 0.00 0.00 178.83 178.36 2qee h GLY 102 N 0.56 1.06 1.03 2.39 0.00 -0.49 -0.99 103.07 106.64 2qee h GLY 102 Ca 0.18 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.19 2qee h GLY 102 CO -0.07 0.21 0.00 1.04 0.00 0.00 0.00 176.54 177.72 2qee n LEU 103 N -4.50 0.00 0.00 3.11 4.77 -0.65 -4.85 117.00 114.89 2qee n LEU 103 Ca 0.13 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 2qee n LEU 103 Cb 0.27 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 2qee n LEU 103 CO 0.33 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 2qee n GLY 104 N 1.00 0.58 3.92 -0.72 0.00 -0.37 -5.06 105.19 104.54 2qee n GLY 104 Ca 0.23 -0.13 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 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 2.87 -0.34 0.99 1.43 -0.23 -5.01 118.68 118.39 2qee s LEU 105 Ca 0.00 0.62 0.03 0.00 -1.03 0.00 0.00 54.13 53.74 2qee s LEU 105 Cb 0.00 -3.30 0.10 0.00 0.03 0.00 0.00 46.19 43.02 2qee s LEU 105 CO 0.00 -1.51 0.06 -0.62 0.23 0.00 0.00 176.35 174.51 2qee s ASP 106 N -4.47 4.82 0.65 2.29 2.15 -1.26 -4.05 116.67 116.80 2qee s ASP 106 Ca 0.59 -2.06 0.39 0.00 0.43 0.00 0.00 52.55 51.90 2qee s ASP 106 Cb -0.11 -1.66 2.18 0.00 -0.30 0.00 0.00 42.92 43.04 2qee s ASP 106 CO 0.46 -0.39 2.28 -0.65 -0.17 0.00 0.00 175.17 176.70 2qee h PRO 107 N 7.70 0.00 -0.14 4.34 0.11 -1.90 -2.86 132.00 139.25 2qee h PRO 107 Ca -0.07 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.04 2qee h PRO 107 Cb 1.03 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 2qee h PRO 107 CO 0.54 0.00 0.08 0.00 -0.21 0.00 0.00 178.00 178.41 2qee h ALA 108 N 1.90 1.87 0.00 -0.75 0.00 -2.01 -2.33 119.26 117.93 2qee h ALA 108 Ca 0.01 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 2qee h ALA 108 Cb 0.12 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2qee h ALA 108 CO -0.00 0.11 -0.46 1.79 0.00 0.00 0.00 179.25 180.69 2qee h THR 109 N 0.19 0.69 -3.27 0.00 1.35 -1.95 -3.47 112.91 106.46 2qee h THR 109 Ca 0.05 -1.99 -0.37 0.00 -0.55 0.00 0.00 66.41 63.55 2qee h THR 109 Cb 0.00 2.33 -0.02 0.00 -1.73 0.00 0.00 68.15 68.73 2qee h THR 109 CO -0.01 0.39 -0.48 0.54 -0.25 0.00 0.00 175.52 175.72 2qee n ARG 110 N -3.18 -1.90 -3.13 4.72 1.74 -0.88 -4.92 116.66 109.10 2qee n ARG 110 Ca 0.02 0.90 -0.45 0.00 -0.77 0.00 0.00 57.85 57.55 2qee n ARG 110 Cb 0.70 -5.55 -0.01 0.00 -1.02 0.00 0.00 32.46 26.58 2qee n ARG 110 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2qee s ASP 111 N -2.06 6.95 0.34 0.55 -1.08 -1.26 -4.86 116.67 115.25 2qee s ASP 111 Ca 0.01 -2.84 0.03 0.00 -0.52 0.00 0.00 52.55 49.23 2qee s ASP 111 Cb -0.00 -2.31 0.62 0.00 -1.46 0.00 0.00 42.92 39.77 2qee s ASP 111 CO 0.01 -0.67 1.95 0.25 0.52 0.00 0.00 175.17 177.23 2qee h LEU 112 N 8.65 0.63 -0.26 -1.34 5.85 -1.98 -1.52 115.31 125.34 2qee h LEU 112 Ca 0.19 -0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.90 2qee h LEU 112 Cb 0.95 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.78 2qee h LEU 112 CO 1.03 0.55 -0.02 -0.61 -0.34 0.00 0.00 178.44 179.05 2qee h GLN 113 N 0.70 0.05 -0.50 1.25 5.75 -2.00 -1.11 115.11 119.26 2qee h GLN 113 Ca 0.17 -0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 58.61 2qee h GLN 113 Cb 0.10 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.62 2qee h GLN 113 CO -0.02 0.03 0.08 0.28 -2.65 0.00 0.00 178.83 176.55 2qee h VAL 114 N 0.05 1.23 -0.62 2.39 2.07 -1.76 -2.60 116.25 117.00 2qee h VAL 114 Ca 0.13 -0.86 -0.04 0.00 0.82 0.00 0.00 66.70 66.75 2qee h VAL 114 Cb 0.17 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 2qee h VAL 114 CO -0.23 0.31 0.24 1.88 0.02 0.00 0.00 177.57 179.79 2qee h TYR 115 N 0.74 0.95 -0.56 1.57 0.05 -0.74 -2.50 116.97 116.48 2qee h TYR 115 Ca 0.16 -0.08 -0.03 0.00 0.05 0.00 0.00 58.73 58.83 2qee h TYR 115 Cb 0.34 -0.28 -0.03 0.00 1.01 0.00 0.00 36.73 37.77 2qee h TYR 115 CO 0.02 0.76 0.21 0.00 -1.05 0.00 0.00 178.16 178.09 2qee h ARG 116 N 0.87 0.82 -0.60 4.88 3.08 -1.04 -2.22 114.38 120.17 2qee h ARG 116 Ca 0.21 -0.13 0.07 0.00 0.07 0.00 0.00 59.98 60.20 2qee h ARG 116 Cb 0.22 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.09 2qee h ARG 116 CO -0.02 0.69 0.40 0.93 -1.07 0.00 0.00 179.97 180.90 2qee h GLU 117 N 0.81 0.52 -0.59 0.04 5.08 -1.06 -1.94 114.58 117.44 2qee h GLU 117 Ca 0.19 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.56 2qee h GLU 117 Cb 0.19 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.27 2qee h GLU 117 CO -0.01 0.35 0.32 -0.92 -1.00 0.00 0.00 179.01 177.74 2qee h TYR 118 N 0.54 0.60 0.00 4.33 3.20 -1.36 -3.04 116.97 121.23 2qee h TYR 118 Ca 0.27 0.02 -0.19 0.00 3.14 0.00 0.00 58.73 61.97 2qee h TYR 118 Cb 0.36 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 2qee h TYR 118 CO -0.00 0.30 -0.98 0.74 -1.64 0.00 0.00 178.16 176.58 2qee h PHE 119 N 0.62 0.00 0.00 -3.82 0.04 -1.44 -3.23 116.94 109.11 2qee h PHE 119 Ca 0.26 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 61.02 2qee h PHE 119 Cb 0.13 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.28 2qee h PHE 119 CO -0.08 0.84 -0.01 0.00 -0.60 0.00 0.00 178.31 178.46 2qee h ALA 120 N 1.16 1.81 -0.52 2.45 0.00 -1.34 -2.66 119.26 120.15 2qee h ALA 120 Ca -0.05 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 2qee h ALA 120 Cb 1.69 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.45 2qee h ALA 120 CO 0.10 0.01 0.05 0.36 0.00 0.00 0.00 179.25 179.78 2qee n LYS 121 N -4.27 4.09 -4.23 0.00 2.85 -1.21 -4.96 118.16 110.43 2qee n LYS 121 Ca -0.03 -2.64 -0.17 0.00 -1.05 0.00 0.00 58.31 54.42 2qee n LYS 121 Cb 0.10 -2.14 -0.11 0.00 -0.65 0.00 0.00 35.03 32.23 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 -2.51 1.00 0.52 -1.58 1.02 -1.00 -5.13 119.74 112.05 2qee s LYS 122 Ca 0.46 -1.25 -0.03 0.00 0.02 0.00 0.00 55.97 55.17 2qee s LYS 122 Cb 0.36 -0.80 0.00 0.00 -0.52 0.00 0.00 37.83 36.87 2qee s LYS 122 CO 0.13 0.14 0.79 0.95 -0.92 0.00 0.00 175.35 176.44 2qee s THR 123 N -2.35 3.81 0.16 2.17 -4.23 -1.26 -4.97 115.64 108.97 2qee s THR 123 Ca 0.09 -0.24 -0.16 0.00 -1.18 0.00 0.00 61.69 60.21 2qee s THR 123 Cb -0.04 -3.46 0.05 0.00 1.34 0.00 0.00 72.50 70.39 2qee s THR 123 CO 0.02 -0.40 1.72 0.28 -0.54 0.00 0.00 174.62 175.69 2qee h SER 124 N 0.10 -0.06 -0.73 3.99 0.02 -1.97 -1.04 113.55 113.86 2qee h SER 124 Ca -0.46 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 2qee h SER 124 Cb 1.25 0.12 -0.04 0.00 0.14 0.00 0.00 62.40 63.87 2qee h SER 124 CO 0.59 0.00 0.46 -0.33 -1.14 0.00 0.00 176.83 176.41 2qee h GLU 125 N 0.15 0.97 -0.54 3.45 3.07 -1.95 0.86 114.58 120.59 2qee h GLU 125 Ca 0.18 -0.07 -0.05 0.00 -0.50 0.00 0.00 59.36 58.92 2qee h GLU 125 Cb 0.23 -0.21 -0.02 0.00 -0.84 0.00 0.00 28.75 27.91 2qee h GLU 125 CO -0.27 0.67 0.16 0.93 -1.40 0.00 0.00 179.01 179.10 2qee h GLU 126 N 0.99 0.85 -0.43 2.33 5.08 -1.87 -1.77 114.58 119.75 2qee h GLU 126 Ca 0.26 -0.19 -0.10 0.00 -1.00 0.00 0.00 59.36 58.33 2qee h GLU 126 Cb -0.07 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 2qee h GLU 126 CO -0.05 0.79 -0.14 0.37 -1.00 0.00 0.00 179.01 178.97 2qee h GLN 127 N 0.76 0.86 -0.25 2.33 5.75 -0.44 -0.75 115.11 123.37 2qee h GLN 127 Ca 0.17 -0.34 0.05 0.00 -0.15 0.00 0.00 58.65 58.38 2qee h GLN 127 Cb 0.29 -0.04 -0.05 0.00 1.07 0.00 0.00 27.48 28.76 2qee h GLN 127 CO -0.00 0.98 -0.05 0.28 -2.65 0.00 0.00 178.83 177.39 2qee h VAL 128 N 0.69 0.77 -0.20 2.39 2.07 -0.78 0.18 116.25 121.36 2qee h VAL 128 Ca 0.11 -0.01 0.05 0.00 0.82 0.00 0.00 66.70 67.67 2qee h VAL 128 Cb 0.69 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 31.16 2qee h VAL 128 CO 0.05 0.00 -0.12 0.44 0.02 0.00 0.00 177.57 177.97 2qee h ASP 129 N 0.02 -0.38 0.04 0.57 3.32 -0.90 -0.77 116.42 118.31 2qee h ASP 129 Ca 0.12 0.09 0.02 0.00 0.02 0.00 0.00 57.03 57.27 2qee h ASP 129 Cb 0.18 0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 2qee h ASP 129 CO -0.24 -0.15 -0.14 0.74 -1.72 0.00 0.00 179.24 177.73 2qee h THR 130 N -0.10 0.67 -0.42 0.35 2.02 -0.91 -2.70 112.91 111.81 2qee h THR 130 Ca 0.11 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.20 2qee h THR 130 Cb 0.27 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 2qee h THR 130 CO -0.26 0.00 -0.11 0.58 0.37 0.00 0.00 175.52 176.09 2qee h VAL 131 N -0.25 1.27 -0.17 3.16 2.07 -0.37 -0.97 116.25 120.98 2qee h VAL 131 Ca 0.03 -1.22 -0.08 0.00 0.82 0.00 0.00 66.70 66.25 2qee h VAL 131 Cb 0.29 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 2qee h VAL 131 CO -0.10 0.41 -0.26 -0.07 0.02 0.00 0.00 177.57 177.57 2qee h LEU 132 N 0.64 0.32 0.25 2.57 3.38 -1.18 -0.01 115.31 121.27 2qee h LEU 132 Ca 0.10 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2qee h LEU 132 Cb 0.65 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2qee h LEU 132 CO 0.04 0.59 -0.12 -0.61 0.09 0.00 0.00 178.44 178.43 2qee h GLN 133 N 0.29 -0.33 -0.80 1.13 -0.00 -1.23 -0.04 115.11 114.14 2qee h GLN 133 Ca 0.04 0.02 0.06 0.00 -0.00 0.00 0.00 58.65 58.77 2qee h GLN 133 Cb 0.62 0.07 -0.06 0.00 0.00 0.00 0.00 27.48 28.12 2qee h GLN 133 CO 0.04 -0.01 0.48 -0.07 0.00 0.00 0.00 178.83 179.27 2qee h LEU 134 N -0.66 0.76 -0.27 -2.39 3.38 -1.00 -1.36 115.31 113.76 2qee h LEU 134 Ca -0.03 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2qee h LEU 134 Cb 0.46 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2qee h LEU 134 CO 0.06 0.49 -0.08 0.00 0.09 0.00 0.00 178.44 178.99 2qee n ALA 135 N -2.35 2.73 -3.92 1.53 0.00 -0.03 -4.96 120.51 113.51 2qee n ALA 135 Ca 0.11 -0.27 -0.27 0.00 0.00 0.00 0.00 53.44 53.01 2qee n ALA 135 Cb 0.17 -1.34 -0.01 0.00 0.00 0.00 0.00 19.45 18.26 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 -0.85 -1.07 -4.32 0.00 5.15 -0.25 -4.83 115.26 109.09 2qee n ASN 136 Ca 0.16 -1.02 -0.35 0.00 -0.60 0.00 0.00 54.58 52.78 2qee n ASN 136 Cb 0.26 -3.07 -0.14 0.00 -0.53 0.00 0.00 39.78 36.31 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 -3.88 3.43 -0.07 3.44 1.01 -0.19 -0.88 120.40 123.25 2qee s VAL 137 Ca 0.08 -0.47 0.14 0.00 0.00 0.00 0.00 61.98 61.72 2qee s VAL 137 Cb -0.03 -2.56 -0.20 0.00 0.00 0.00 0.00 36.38 33.59 2qee s VAL 137 CO 0.89 0.42 0.71 -1.54 0.00 0.00 0.00 175.10 175.58 2qee n SER 138 N 4.74 0.85 -3.76 3.32 3.41 -0.18 -4.72 113.62 117.28 2qee n SER 138 Ca -0.18 0.40 -0.13 0.00 -0.26 0.00 0.00 58.87 58.70 2qee n SER 138 Cb 0.51 0.03 -0.14 0.00 -0.26 0.00 0.00 64.21 64.36 2qee n SER 138 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2qee s ASP 139 N -5.97 -0.16 -0.13 4.04 1.01 -1.12 -4.71 116.67 109.63 2qee s ASP 139 Ca -0.04 0.35 0.03 0.00 0.71 0.00 0.00 52.55 53.60 2qee s ASP 139 Cb 0.08 0.27 0.01 0.00 1.01 0.00 0.00 42.92 44.29 2qee s ASP 139 CO 0.82 -0.12 -0.22 -0.69 0.21 0.00 0.00 175.17 175.17 2qee s VAL 140 N 0.86 2.10 -0.16 -1.27 1.01 0.59 -0.66 120.40 122.86 2qee s VAL 140 Ca -0.06 -0.98 -0.16 0.00 0.00 0.00 0.00 61.98 60.77 2qee s VAL 140 Cb -0.08 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 2qee s VAL 140 CO -0.05 0.55 0.41 -0.69 0.00 0.00 0.00 175.10 175.33 2qee s VAL 141 N 0.67 5.21 0.80 2.92 1.01 -0.12 -0.05 120.40 130.85 2qee s VAL 141 Ca -0.10 0.77 -0.08 0.00 0.00 0.00 0.00 61.98 62.57 2qee s VAL 141 Cb -0.16 -3.75 0.13 0.00 0.00 0.00 0.00 36.38 32.60 2qee s VAL 141 CO 0.01 0.30 1.12 -0.04 0.00 0.00 0.00 175.10 176.49 2qee s MET 142 N 0.93 1.48 -0.29 2.72 -1.94 0.85 -1.14 119.30 121.91 2qee s MET 142 Ca 0.21 -0.57 0.01 0.00 -1.71 0.00 0.00 55.69 53.63 2qee s MET 142 Cb -0.14 -2.10 0.06 0.00 2.01 0.00 0.00 34.83 34.65 2qee s MET 142 CO 0.08 -1.73 -0.04 0.99 -0.01 0.00 0.00 175.02 174.31 2qee s THR 143 N -3.45 2.61 -0.28 2.05 2.01 -1.02 -3.39 115.64 114.17 2qee s THR 143 Ca 0.67 -1.56 -0.05 0.00 0.31 0.00 0.00 61.69 61.06 2qee s THR 143 Cb -0.07 -2.55 0.02 0.00 0.01 0.00 0.00 72.50 69.92 2qee s THR 143 CO 0.48 -0.12 0.02 0.20 -0.69 0.00 0.00 174.62 174.51 2qee s ASN 144 N 1.19 4.83 -0.38 3.53 -0.87 0.25 -4.95 114.94 118.53 2qee s ASN 144 Ca -0.06 -0.84 -0.04 0.00 -1.57 0.00 0.00 52.86 50.36 2qee s ASN 144 Cb -0.20 -1.79 0.09 0.00 -0.02 0.00 0.00 41.25 39.33 2qee s ASN 144 CO -0.03 -0.18 0.16 -0.62 -2.57 0.00 0.00 177.10 173.86 2qee s ASP 145 N 1.41 5.24 0.00 -1.22 -1.08 -1.26 -0.67 116.67 119.08 2qee s ASP 145 Ca 0.01 -1.75 0.13 0.00 -0.52 0.00 0.00 52.55 50.42 2qee s ASP 145 Cb -0.17 -1.83 0.59 0.00 -1.46 0.00 0.00 42.92 40.04 2qee s ASP 145 CO -0.00 -0.47 1.43 -0.81 0.52 0.00 0.00 175.17 175.83 2qee n PRO 146 N 4.66 0.02 0.05 4.34 -0.04 -1.26 -1.24 135.00 141.52 2qee n PRO 146 Ca -0.06 0.26 0.12 0.00 -0.04 0.00 0.00 63.50 63.78 2qee n PRO 146 Cb 0.42 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.62 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 -1.48 0.48 -2.82 0.54 3.72 -1.26 -4.71 117.46 111.92 2qee n PHE 147 Ca 0.04 0.14 -0.42 0.00 -0.05 0.00 0.00 57.45 57.15 2qee n PHE 147 Cb 0.15 -0.61 -0.04 0.00 -0.94 0.00 0.00 39.48 38.04 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 -4.00 6.70 0.23 4.37 2.15 -0.37 -4.94 116.67 120.81 2qee s ASP 148 Ca 0.08 0.65 -0.07 0.00 0.43 0.00 0.00 52.55 53.63 2qee s ASP 148 Cb 0.14 -2.46 0.37 0.00 -0.30 0.00 0.00 42.92 40.67 2qee s ASP 148 CO 0.69 -0.80 1.72 0.44 -0.17 0.00 0.00 175.17 177.05 2qee h ASP 149 N 8.35 0.17 0.85 -0.34 3.32 -1.86 0.24 116.42 127.14 2qee h ASP 149 Ca -0.23 0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.92 2qee h ASP 149 Cb 1.08 0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.74 2qee h ASP 149 CO 0.97 0.07 0.00 -1.13 -1.72 0.00 0.00 179.24 177.43 2qee h ASN 150 N 0.37 0.00 0.05 6.45 -0.73 -1.95 -2.93 115.58 116.84 2qee h ASN 150 Ca 0.36 0.00 -0.37 0.00 1.87 0.00 0.00 56.30 58.16 2qee h ASN 150 Cb 0.52 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 39.07 2qee h ASN 150 CO -0.39 0.00 -2.18 -0.62 -0.37 0.00 0.00 177.43 173.87 2qee n GLU 151 N -2.34 0.68 -0.28 6.67 1.02 -0.41 -4.46 120.64 121.51 2qee n GLU 151 Ca 0.02 0.25 0.16 0.00 -0.02 0.00 0.00 57.16 57.58 2qee n GLU 151 Cb 0.26 -1.61 0.44 0.00 -0.02 0.00 0.00 31.44 30.51 2qee n GLU 151 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 2qee h ARG 152 N -0.19 0.53 0.05 3.49 2.43 -0.51 -2.84 114.38 117.34 2qee h ARG 152 Ca -0.51 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 58.65 2qee h ARG 152 Cb 1.86 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 31.25 2qee h ARG 152 CO -0.07 0.35 -0.23 0.82 -1.51 0.00 0.00 179.97 179.33 2qee h ILE 153 N 0.55 0.47 -0.76 1.20 2.04 -1.74 0.14 117.51 119.41 2qee h ILE 153 Ca 0.50 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.44 2qee h ILE 153 Cb 1.04 0.47 -0.07 0.00 -0.74 0.00 0.00 36.82 37.52 2qee h ILE 153 CO -0.23 0.00 0.43 0.28 0.00 0.00 0.00 178.15 178.62 2qee h SER 154 N -0.40 0.62 -0.02 1.72 0.02 -1.75 0.65 113.55 114.38 2qee h SER 154 Ca 0.05 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 61.04 2qee h SER 154 Cb 0.45 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 62.91 2qee h SER 154 CO -0.17 0.37 0.01 -0.50 -1.14 0.00 0.00 176.83 175.40 2qee h TRP 155 N 0.75 0.03 0.00 3.45 4.06 -1.42 -0.99 115.95 121.83 2qee h TRP 155 Ca 0.35 -0.00 -0.06 0.00 2.06 0.00 0.00 58.89 61.25 2qee h TRP 155 Cb 0.28 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 28.42 2qee h TRP 155 CO -0.07 0.13 -0.27 -0.07 -3.56 0.00 0.00 178.44 174.60 2qee h LEU 156 N -0.07 0.00 0.00 -4.49 3.38 -0.16 -1.17 115.31 112.80 2qee h LEU 156 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2qee h LEU 156 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2qee h LEU 156 CO -0.00 0.27 0.00 -0.62 0.09 0.00 0.00 178.44 178.17 2qee n GLU 157 N -4.10 0.68 -0.56 1.13 1.02 0.22 -4.89 120.64 114.14 2qee n GLU 157 Ca -0.02 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 2qee n GLU 157 Cb 0.33 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.25 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 0.56 0.78 3.71 0.62 0.00 -0.44 -5.03 105.19 105.39 2qee n GLY 158 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 2qee n GLY 158 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qee n LYS 159 N -2.04 2.18 -4.56 1.61 5.02 -0.41 -5.01 118.16 114.94 2qee n LYS 159 Ca 0.00 0.77 -0.27 0.00 -2.02 0.00 0.00 58.31 56.79 2qee n LYS 159 Cb 0.00 -2.40 -0.14 0.00 -0.02 0.00 0.00 35.03 32.47 2qee n LYS 159 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2qee s GLN 160 N -2.00 1.43 0.68 1.97 -1.52 -1.26 -4.62 119.66 114.33 2qee s GLN 160 Ca 0.56 -1.13 -0.14 0.00 -1.95 0.00 0.00 55.36 52.70 2qee s GLN 160 Cb -0.54 -1.69 0.01 0.00 -0.22 0.00 0.00 33.01 30.58 2qee s GLN 160 CO 0.62 0.42 1.10 -1.25 -0.25 0.00 0.00 175.29 175.92 2qee s PRO 161 N -1.57 2.70 1.07 2.91 0.04 -1.26 -4.98 135.00 133.90 2qee s PRO 161 Ca 0.10 1.33 -0.13 0.00 0.04 0.00 0.00 61.00 62.33 2qee s PRO 161 Cb -0.10 -1.94 0.23 0.00 0.04 0.00 0.00 34.50 32.73 2qee s PRO 161 CO 0.03 -1.32 1.07 0.16 0.04 0.00 0.00 177.00 176.99 2qee s ASP 162 N -2.79 1.99 0.38 6.66 1.47 -1.26 -4.87 116.67 118.25 2qee s ASP 162 Ca 0.65 1.21 0.28 0.00 1.18 0.00 0.00 52.55 55.88 2qee s ASP 162 Cb -0.19 -1.90 1.22 0.00 -0.34 0.00 0.00 42.92 41.71 2qee s ASP 162 CO 0.45 -3.53 1.84 0.77 0.68 0.00 0.00 175.17 175.38 2qee h SER 163 N -2.17 0.00 1.21 2.11 4.64 -1.99 -1.32 113.55 116.04 2qee h SER 163 Ca -0.57 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.75 2qee h SER 163 Cb 1.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 2qee h SER 163 CO 0.55 0.00 -0.15 0.54 -0.87 0.00 0.00 176.83 176.91 2qee n ARG 164 N -2.56 0.20 -5.00 4.77 1.74 -1.26 -4.82 116.66 109.73 2qee n ARG 164 Ca 0.01 0.14 -0.32 0.00 -0.77 0.00 0.00 57.85 56.90 2qee n ARG 164 Cb 0.22 -1.71 -0.16 0.00 -1.02 0.00 0.00 32.46 29.80 2qee n ARG 164 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2qee s PHE 165 N -3.09 2.68 0.05 -1.55 0.08 -0.50 -0.30 117.98 115.35 2qee s PHE 165 Ca 0.10 -0.83 0.09 0.00 0.12 0.00 0.00 56.93 56.42 2qee s PHE 165 Cb 0.14 -1.77 -0.03 0.00 -0.57 0.00 0.00 43.02 40.79 2qee s PHE 165 CO 0.61 -0.30 -0.26 -1.01 -0.10 0.00 0.00 175.22 174.16 2qee s HIS 166 N 0.31 2.32 0.37 0.36 3.76 0.93 -4.68 115.29 118.66 2qee s HIS 166 Ca -0.14 -0.41 -0.19 0.00 -0.15 0.00 0.00 55.06 54.17 2qee s HIS 166 Cb -0.17 -1.38 -0.10 0.00 1.11 0.00 0.00 32.58 32.04 2qee s HIS 166 CO 0.07 0.14 0.85 0.00 -0.85 0.00 0.00 174.74 174.95 2qee s ALA 167 N -0.82 3.18 -0.02 -1.40 0.00 -1.26 -0.11 121.76 121.33 2qee s ALA 167 Ca 0.12 0.25 -0.00 0.00 0.00 0.00 0.00 51.96 52.32 2qee s ALA 167 Cb -0.10 -2.98 0.02 0.00 0.00 0.00 0.00 23.12 20.06 2qee s ALA 167 CO 0.02 0.23 0.03 0.00 0.00 0.00 0.00 175.76 176.04 2qee s ALA 168 N -2.03 0.03 -0.51 0.00 0.00 -1.22 -0.88 121.76 117.15 2qee s ALA 168 Ca 0.57 0.24 -0.24 0.00 0.00 0.00 0.00 51.96 52.53 2qee s ALA 168 Cb -0.10 -0.19 0.04 0.00 0.00 0.00 0.00 23.12 22.87 2qee s ALA 168 CO 0.16 -0.08 0.90 -1.17 0.00 0.00 0.00 175.76 175.57 2qee s LEU 169 N 0.74 4.14 -0.12 0.00 2.96 -0.57 -0.59 118.68 125.24 2qee s LEU 169 Ca -0.06 -0.21 -0.24 0.00 -0.22 0.00 0.00 54.13 53.40 2qee s LEU 169 Cb -0.09 -2.93 -0.03 0.00 0.50 0.00 0.00 46.19 43.64 2qee s LEU 169 CO -0.02 -1.11 0.74 -0.60 -1.32 0.00 0.00 176.35 174.04 2qee s ARG 170 N 3.73 4.35 -0.06 1.98 6.06 0.15 -0.56 118.95 134.60 2qee s ARG 170 Ca 0.31 0.90 0.09 0.00 -2.50 0.00 0.00 55.73 54.53 2qee s ARG 170 Cb -0.12 -3.51 0.16 0.00 0.06 0.00 0.00 34.95 31.53 2qee s ARG 170 CO 0.21 -0.13 1.10 1.28 -2.50 0.00 0.00 175.30 175.26 2qee n LEU 171 N 4.51 2.30 -0.17 -0.88 4.77 0.29 -4.47 117.00 123.35 2qee n LEU 171 Ca 0.01 -2.46 -0.03 0.00 -0.03 0.00 0.00 56.01 53.50 2qee n LEU 171 Cb 0.50 -0.21 0.04 0.00 -2.33 0.00 0.00 43.42 41.42 2qee n LEU 171 CO 0.47 0.60 0.75 0.44 -1.33 0.00 0.00 177.39 178.33 2qee h ASP 172 N 0.24 -0.53 -0.61 -1.43 5.19 -1.93 -0.92 116.42 116.43 2qee h ASP 172 Ca 0.00 0.16 -0.03 0.00 -0.62 0.00 0.00 57.03 56.54 2qee h ASP 172 Cb 0.76 0.34 -0.03 0.00 0.18 0.00 0.00 39.33 40.57 2qee h ASP 172 CO 0.01 -0.18 0.28 -0.65 -3.12 0.00 0.00 179.24 175.58 2qee h PRO 173 N -0.02 0.92 -0.01 3.56 0.11 -1.95 0.36 132.00 134.97 2qee h PRO 173 Ca 0.25 -0.14 -0.00 0.00 0.11 0.00 0.00 66.00 66.22 2qee h PRO 173 Cb 0.40 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.34 2qee h PRO 173 CO -0.54 0.74 -0.00 1.25 -0.21 0.00 0.00 178.00 179.23 2qee h LEU 174 N 0.92 0.02 0.01 2.35 5.85 -1.64 -2.04 115.31 120.76 2qee h LEU 174 Ca 0.22 -0.38 -0.27 0.00 0.84 0.00 0.00 57.88 58.29 2qee h LEU 174 Cb 0.14 -0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.18 2qee h LEU 174 CO -0.02 0.39 -1.12 -0.07 -0.34 0.00 0.00 178.44 177.27 2qee h LEU 175 N -0.36 0.69 0.00 2.25 4.07 -0.89 -3.29 115.31 117.78 2qee h LEU 175 Ca 0.00 -0.61 -0.04 0.00 0.08 0.00 0.00 57.88 57.31 2qee h LEU 175 Cb 0.38 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.90 2qee h LEU 175 CO 0.00 1.43 -1.83 0.59 -1.08 0.00 0.00 178.44 177.55 2qee n ASN 176 N -3.74 0.19 -2.31 -0.43 3.02 0.12 -3.81 115.26 108.30 2qee n ASN 176 Ca -0.10 0.08 -0.08 0.00 -0.03 0.00 0.00 54.58 54.44 2qee n ASN 176 Cb 0.93 1.55 0.05 0.00 -0.61 0.00 0.00 39.78 41.69 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 -2.41 2.28 0.01 3.52 1.02 -0.77 -4.91 120.64 119.38 2qee n GLU 177 Ca -0.06 -3.62 0.06 0.00 -0.02 0.00 0.00 57.16 53.51 2qee n GLU 177 Cb 0.63 -1.73 0.46 0.00 -0.02 0.00 0.00 31.44 30.78 2qee n GLU 177 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 2qee h TYR 178 N 2.24 0.45 -0.35 -0.32 3.20 -1.61 0.26 116.97 120.83 2qee h TYR 178 Ca 0.05 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.92 2qee h TYR 178 Cb 1.40 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 39.50 2qee h TYR 178 CO 0.62 0.27 0.20 0.93 -1.64 0.00 0.00 178.16 178.54 2qee h GLU 179 N 0.48 0.48 0.10 1.82 4.39 -1.91 0.13 114.58 120.07 2qee h GLU 179 Ca 0.16 -0.04 -0.35 0.00 0.34 0.00 0.00 59.36 59.48 2qee h GLU 179 Cb 0.06 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 2qee h GLU 179 CO -0.04 0.35 -1.90 1.04 -1.16 0.00 0.00 179.01 177.30 2qee n GLN 180 N -4.45 0.72 0.18 2.33 3.00 -0.62 -4.42 117.38 114.12 2qee n GLN 180 Ca 0.02 0.31 0.03 0.00 -0.01 0.00 0.00 57.00 57.36 2qee n GLN 180 Cb 0.09 -1.71 0.32 0.00 0.00 0.00 0.00 30.24 28.95 2qee n GLN 180 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.06 178.21 2qee h THR 181 N -0.13 1.14 -0.70 5.09 2.02 -0.05 -2.99 112.91 117.29 2qee h THR 181 Ca -0.42 -1.56 0.17 0.00 0.77 0.00 0.00 66.41 65.37 2qee h THR 181 Cb 1.90 1.88 -0.04 0.00 -1.74 0.00 0.00 68.15 70.15 2qee h THR 181 CO 0.02 0.42 0.48 0.07 0.37 0.00 0.00 175.52 176.89 2qee h LYS 182 N 0.00 0.19 -0.14 6.66 2.10 -0.97 -1.00 116.57 123.41 2qee h LYS 182 Ca -0.00 -0.01 -0.15 0.00 -2.00 0.00 0.00 60.65 58.49 2qee h LYS 182 Cb 0.85 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 32.12 2qee h LYS 182 CO 0.06 0.13 -0.54 0.45 -2.00 0.00 0.00 179.45 177.55 2qee h HIS 183 N 0.20 0.51 -0.34 0.07 3.86 -1.78 -2.14 115.15 115.53 2qee h HIS 183 Ca 0.34 -0.18 -0.05 0.00 -1.16 0.00 0.00 60.37 59.33 2qee h HIS 183 Cb 1.05 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 29.41 2qee h HIS 183 CO -0.00 0.86 0.04 0.00 0.86 0.00 0.00 177.93 179.68 2qee h ARG 184 N 0.32 0.57 -0.45 2.45 3.08 -1.35 -1.86 114.38 117.13 2qee h ARG 184 Ca 0.01 -0.16 0.09 0.00 0.07 0.00 0.00 59.98 59.98 2qee h ARG 184 Cb 1.05 -0.06 -0.09 0.00 0.08 0.00 0.00 29.97 30.95 2qee h ARG 184 CO 0.09 0.67 -0.12 -0.07 -1.07 0.00 0.00 179.97 179.48 2qee h LEU 185 N 0.40 -0.43 -0.35 3.04 3.38 -1.26 -1.49 115.31 118.60 2qee h LEU 185 Ca 0.10 0.14 0.08 0.00 0.09 0.00 0.00 57.88 58.28 2qee h LEU 185 Cb 0.39 0.28 -0.08 0.00 0.09 0.00 0.00 40.66 41.34 2qee h LEU 185 CO 0.01 -0.15 -0.18 0.03 0.09 0.00 0.00 178.44 178.24 2qee h ARG 186 N -0.00 -0.12 -0.50 1.13 3.08 -1.30 -0.28 114.38 116.39 2qee h ARG 186 Ca 0.22 0.01 0.14 0.00 0.07 0.00 0.00 59.98 60.42 2qee h ARG 186 Cb 0.33 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 2qee h ARG 186 CO -0.47 -0.08 0.58 -0.44 -1.07 0.00 0.00 179.97 178.49 2qee h ASP 187 N -0.13 0.00 -0.35 7.04 5.19 -0.44 -1.53 116.42 126.20 2qee h ASP 187 Ca 0.18 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.59 2qee h ASP 187 Cb 0.40 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.91 2qee h ASP 187 CO -0.43 0.00 0.00 0.79 -3.12 0.00 0.00 179.24 176.48 2qee n TRP 188 N -3.56 0.45 -0.34 4.55 8.01 -0.25 -4.95 117.44 121.34 2qee n TRP 188 Ca 0.10 -0.27 0.00 0.00 -1.31 0.00 0.00 57.50 56.01 2qee n TRP 188 Cb 0.77 -0.00 0.00 0.00 -2.01 0.00 0.00 31.31 30.07 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 1.22 0.82 3.42 6.99 0.00 -0.58 -5.04 105.19 112.02 2qee n GLY 189 Ca 0.17 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.03 3.14 -1.35 1.61 2.02 -0.41 -4.97 117.35 115.36 2qee s TYR 190 Ca 0.00 -0.74 -0.12 0.00 -0.37 0.00 0.00 57.07 55.85 2qee s TYR 190 Cb 0.00 -3.39 0.12 0.00 -0.40 0.00 0.00 41.96 38.29 2qee s TYR 190 CO 0.00 -0.93 1.99 1.63 -1.57 0.00 0.00 175.55 176.66 2qee n LYS 191 N 5.72 3.31 -2.99 -0.62 5.02 -1.26 -3.13 118.16 124.21 2qee n LYS 191 Ca -0.09 -3.18 -0.40 0.00 -2.02 0.00 0.00 58.31 52.62 2qee n LYS 191 Cb 0.44 -3.09 -0.06 0.00 -0.02 0.00 0.00 35.03 32.31 2qee n LYS 191 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2qee s VAL 192 N 1.63 4.51 0.72 -0.18 -7.23 -1.26 -4.58 120.40 114.00 2qee s VAL 192 Ca 0.43 1.66 -0.06 0.00 -1.81 0.00 0.00 61.98 62.19 2qee s VAL 192 Cb 0.11 -4.12 0.08 0.00 0.56 0.00 0.00 36.38 33.01 2qee s VAL 192 CO -0.03 0.47 1.03 0.20 -0.31 0.00 0.00 175.10 176.46 2qee s ASN 193 N -0.77 4.61 0.21 4.85 0.01 -1.26 -4.93 114.94 117.66 2qee s ASN 193 Ca 0.36 0.30 -0.08 0.00 -0.71 0.00 0.00 52.86 52.73 2qee s ASN 193 Cb -0.22 -0.87 0.15 0.00 0.41 0.00 0.00 41.25 40.73 2qee s ASN 193 CO 0.25 -1.72 1.78 0.44 -1.51 0.00 0.00 177.10 176.33 2qee h ASP 194 N -0.65 1.10 -3.60 -1.22 3.32 -2.03 -3.44 116.42 109.89 2qee h ASP 194 Ca -0.43 -0.17 -0.51 0.00 0.02 0.00 0.00 57.03 55.93 2qee h ASP 194 Cb 1.30 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 40.54 2qee h ASP 194 CO 0.55 0.97 0.06 -1.61 -1.72 0.00 0.00 179.24 177.49 2qee s GLU 195 N -5.55 4.06 -1.22 3.56 8.01 -1.26 -5.01 118.70 121.30 2qee s GLU 195 Ca -0.12 0.68 -0.16 0.00 0.01 0.00 0.00 54.97 55.37 2qee s GLU 195 Cb 0.16 -2.65 0.12 0.00 -4.31 0.00 0.00 34.13 27.44 2qee s GLU 195 CO 0.84 0.28 1.56 -0.46 0.01 0.00 0.00 175.26 177.49 2qee s TRP 196 N -1.76 3.10 0.35 1.61 -0.11 -1.26 -4.67 118.94 116.20 2qee s TRP 196 Ca 0.48 -1.79 0.01 0.00 1.22 0.00 0.00 56.10 56.02 2qee s TRP 196 Cb -0.13 -4.54 0.01 0.00 -1.50 0.00 0.00 33.47 27.32 2qee s TRP 196 CO 0.19 -1.62 0.12 0.27 -4.62 0.00 0.00 176.95 171.29 2qee n ASN 197 N 7.13 2.58 -0.11 5.86 0.23 -1.26 -4.96 115.26 124.73 2qee n ASN 197 Ca 0.41 -2.37 0.12 0.00 -0.53 0.00 0.00 54.58 52.22 2qee n ASN 197 Cb 0.45 0.12 0.49 0.00 -2.08 0.00 0.00 39.78 38.76 2qee n ASN 197 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2qee h GLU 198 N 0.00 0.42 -0.44 -3.83 4.39 -1.99 -0.73 114.58 112.41 2qee h GLU 198 Ca -0.26 -0.03 -0.10 0.00 0.34 0.00 0.00 59.36 59.32 2qee h GLU 198 Cb 0.84 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.38 2qee h GLU 198 CO 0.42 0.28 -0.11 0.78 -1.16 0.00 0.00 179.01 179.22 2qee h GLY 199 N 0.44 0.91 0.88 -3.84 0.00 -1.94 0.51 103.07 100.03 2qee h GLY 199 Ca 0.30 -0.76 -0.06 0.00 0.00 0.00 0.00 47.33 46.82 2qee h GLY 199 CO -0.09 0.69 -0.05 1.76 0.00 0.00 0.00 176.54 178.85 2qee h SER 200 N 0.67 0.54 -0.38 0.19 0.02 -1.43 -2.00 113.55 111.16 2qee h SER 200 Ca 0.11 -0.35 0.07 0.00 -0.84 0.00 0.00 61.79 60.78 2qee h SER 200 Cb 0.65 -0.15 -0.07 0.00 0.14 0.00 0.00 62.40 62.97 2qee h SER 200 CO 0.04 0.77 -0.08 0.40 -1.14 0.00 0.00 176.83 176.82 2qee h ILE 201 N 0.30 0.64 -0.72 3.27 2.04 -1.11 -1.23 117.51 120.70 2qee h ILE 201 Ca 0.07 -0.01 -0.06 0.00 1.00 0.00 0.00 64.86 65.87 2qee h ILE 201 Cb 0.52 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 2qee h ILE 201 CO 0.02 0.00 0.22 1.56 0.00 0.00 0.00 178.15 179.96 2qee h GLN 202 N 0.02 1.12 -0.04 2.37 1.08 -0.83 -1.74 115.11 117.09 2qee h GLN 202 Ca 0.18 -0.24 -0.16 0.00 -1.45 0.00 0.00 58.65 56.98 2qee h GLN 202 Cb 0.28 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.53 2qee h GLN 202 CO -0.38 0.96 -0.68 0.93 -0.95 0.00 0.00 178.83 178.72 2qee h GLU 203 N 1.07 0.19 -0.21 1.46 4.39 -1.16 -0.78 114.58 119.54 2qee h GLU 203 Ca 0.23 -0.15 -0.11 0.00 0.34 0.00 0.00 59.36 59.67 2qee h GLU 203 Cb 0.31 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.99 2qee h GLU 203 CO -0.01 0.80 -0.29 0.28 -1.16 0.00 0.00 179.01 178.63 2qee h VAL 204 N 0.13 1.33 -0.96 3.13 2.07 -1.07 -1.54 116.25 119.34 2qee h VAL 204 Ca -0.02 -1.49 0.16 0.00 0.82 0.00 0.00 66.70 66.17 2qee h VAL 204 Cb 1.22 1.78 -0.08 0.00 -1.52 0.00 0.00 31.29 32.68 2qee h VAL 204 CO 0.10 0.46 0.61 0.11 0.02 0.00 0.00 177.57 178.87 2qee h LYS 205 N 0.26 0.76 -0.16 1.57 1.57 -1.23 -1.27 116.57 118.07 2qee h LYS 205 Ca 0.02 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.64 2qee h LYS 205 Cb 0.87 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 2qee h LYS 205 CO 0.07 0.50 -0.42 -0.09 -0.57 0.00 0.00 179.45 178.94 2qee h ARG 206 N 0.78 0.37 0.11 3.15 2.43 -0.90 0.56 114.38 120.89 2qee h ARG 206 Ca 0.50 -0.19 -0.01 0.00 -0.81 0.00 0.00 59.98 59.48 2qee h ARG 206 Cb 0.74 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.30 2qee h ARG 206 CO -0.27 0.73 -0.05 0.35 -1.51 0.00 0.00 179.97 179.22 2qee h PHE 207 N 0.31 -0.14 -0.42 2.20 3.57 -0.44 -0.22 116.94 121.79 2qee h PHE 207 Ca 0.03 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.53 2qee h PHE 207 Cb 0.87 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.64 2qee h PHE 207 CO 0.02 -0.08 0.27 -0.07 -2.23 0.00 0.00 178.31 176.23 2qee h LEU 208 N -0.16 0.46 -0.98 0.59 3.38 -0.97 -2.30 115.31 115.32 2qee h LEU 208 Ca -0.02 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 2qee h LEU 208 Cb 0.13 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 2qee h LEU 208 CO 0.03 0.33 0.12 0.74 0.09 0.00 0.00 178.44 179.75 2qee h THR 209 N 0.55 1.23 -0.42 0.22 2.02 -0.69 0.49 112.91 116.31 2qee h THR 209 Ca 0.16 -0.85 -0.09 0.00 0.77 0.00 0.00 66.41 66.39 2qee h THR 209 Cb -0.04 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 2qee h THR 209 CO -0.05 0.32 -0.12 0.44 0.37 0.00 0.00 175.52 176.48 2qee h ASP 210 N 0.83 0.75 0.87 4.18 3.32 -0.80 -0.68 116.42 124.89 2qee h ASP 210 Ca 0.18 -0.23 -0.22 0.00 0.02 0.00 0.00 57.03 56.78 2qee h ASP 210 Cb 0.32 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 2qee h ASP 210 CO 0.00 0.90 -1.05 -0.50 -1.72 0.00 0.00 179.24 176.87 2qee h TRP 211 N 0.69 0.14 -0.21 4.55 4.06 -0.83 -2.02 115.95 122.34 2qee h TRP 211 Ca 0.11 -0.10 0.01 0.00 2.06 0.00 0.00 58.89 60.97 2qee h TRP 211 Cb 0.60 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 28.74 2qee h TRP 211 CO 0.03 1.06 0.13 0.82 -3.56 0.00 0.00 178.44 176.92 2qee h ILE 212 N 0.03 1.04 -0.56 1.49 2.04 -0.77 0.45 117.51 121.22 2qee h ILE 212 Ca -0.04 -0.09 -0.07 0.00 1.00 0.00 0.00 64.86 65.66 2qee h ILE 212 Cb 1.79 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 38.60 2qee h ILE 212 CO 0.15 0.05 0.08 -0.33 0.00 0.00 0.00 178.15 178.09 2qee h GLU 213 N 0.26 0.94 -0.28 2.37 4.39 -1.08 -0.03 114.58 121.16 2qee h GLU 213 Ca 0.08 -0.26 -0.02 0.00 0.34 0.00 0.00 59.36 59.49 2qee h GLU 213 Cb -0.02 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.52 2qee h GLU 213 CO -0.03 0.91 0.09 -0.09 -1.16 0.00 0.00 179.01 178.73 2qee h ARG 214 N 0.83 0.43 0.00 2.33 2.43 -1.16 -3.35 114.38 115.89 2qee h ARG 214 Ca 0.17 -0.09 -0.09 0.00 -0.81 0.00 0.00 59.98 59.16 2qee h ARG 214 Cb 0.44 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 2qee h ARG 214 CO 0.01 0.49 -1.75 -1.33 -1.51 0.00 0.00 179.97 175.88 2qee n MET 215 N -4.72 0.65 -3.75 0.20 2.81 0.13 -5.00 117.12 107.43 2qee n MET 215 Ca -0.03 -0.02 -0.28 0.00 -1.81 0.00 0.00 57.70 55.56 2qee n MET 215 Cb 0.16 -1.64 0.02 0.00 -0.71 0.00 0.00 33.22 31.05 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 -2.54 -3.19 -4.78 7.83 2.03 -0.03 -4.53 116.55 111.34 2qee n ASP 216 Ca -0.09 -0.97 -0.35 0.00 0.52 0.00 0.00 54.79 53.89 2qee n ASP 216 Cb 0.71 -3.44 -0.01 0.00 -0.72 0.00 0.00 41.12 37.67 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 -6.11 3.52 0.37 -0.67 0.04 -1.26 -4.65 135.00 126.25 2qee s PRO 217 Ca 0.26 1.63 0.20 0.00 0.04 0.00 0.00 61.00 63.13 2qee s PRO 217 Cb -0.09 -2.13 0.47 0.00 0.04 0.00 0.00 34.50 32.79 2qee s PRO 217 CO 0.86 -0.71 1.63 -0.39 0.04 0.00 0.00 177.00 178.43 2qee h VAL 218 N 1.43 0.59 -2.95 -0.36 -1.51 -1.36 -3.47 116.25 108.63 2qee h VAL 218 Ca -0.50 -1.56 0.03 0.00 -1.23 0.00 0.00 66.70 63.44 2qee h VAL 218 Cb 1.25 2.08 -0.09 0.00 -2.13 0.00 0.00 31.29 32.40 2qee h VAL 218 CO 0.58 0.30 0.24 -0.72 -1.23 0.00 0.00 177.57 176.74 2qee s TYR 219 N -3.29 -0.37 -0.08 5.19 -0.85 -1.26 -4.28 117.35 112.40 2qee s TYR 219 Ca 0.03 0.06 -0.04 0.00 -0.52 0.00 0.00 57.07 56.60 2qee s TYR 219 Cb 0.08 0.62 -0.04 0.00 0.38 0.00 0.00 41.96 43.01 2qee s TYR 219 CO 0.69 -1.00 0.08 -1.64 -1.52 0.00 0.00 175.55 172.16 2qee s MET 220 N -3.78 3.21 0.10 -3.49 -1.94 -0.82 -1.52 119.30 111.06 2qee s MET 220 Ca 0.06 -0.30 0.03 0.00 -1.71 0.00 0.00 55.69 53.77 2qee s MET 220 Cb -0.03 -2.98 -0.04 0.00 2.01 0.00 0.00 34.83 33.79 2qee s MET 220 CO -0.04 0.73 -0.09 0.00 -0.01 0.00 0.00 175.02 175.60 2qee s ALA 221 N -1.01 1.10 -0.04 3.03 0.00 0.28 0.25 121.76 125.36 2qee s ALA 221 Ca 0.16 -1.25 -0.19 0.00 0.00 0.00 0.00 51.96 50.68 2qee s ALA 221 Cb -0.12 0.07 0.04 0.00 0.00 0.00 0.00 23.12 23.11 2qee s ALA 221 CO 0.06 -0.10 0.41 0.54 0.00 0.00 0.00 175.76 176.67 2qee s VAL 222 N -2.84 0.04 -0.06 0.00 0.11 -0.29 -0.55 120.40 116.82 2qee s VAL 222 Ca 0.08 -0.31 -0.03 0.00 -2.93 0.00 0.00 61.98 58.79 2qee s VAL 222 Cb -0.00 -0.70 -0.04 0.00 -1.53 0.00 0.00 36.38 34.11 2qee s VAL 222 CO -0.01 -0.17 0.08 -0.44 -3.33 0.00 0.00 175.10 171.23 2qee s SER 223 N -1.12 5.78 0.02 3.54 0.01 -1.26 -1.09 113.70 119.57 2qee s SER 223 Ca -0.11 0.24 0.01 0.00 1.31 0.00 0.00 55.95 57.39 2qee s SER 223 Cb -0.04 -1.72 -0.02 0.00 0.21 0.00 0.00 66.02 64.45 2qee s SER 223 CO 0.05 0.34 -0.04 -0.76 0.41 0.00 0.00 173.24 173.24 2qee s LEU 224 N -1.34 2.19 0.82 2.44 1.43 0.24 -4.94 118.68 119.51 2qee s LEU 224 Ca 0.19 -0.39 -0.12 0.00 -1.03 0.00 0.00 54.13 52.77 2qee s LEU 224 Cb -0.12 0.01 0.08 0.00 0.03 0.00 0.00 46.19 46.19 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 -1.14 1.92 0.60 1.29 0.04 -1.25 0.05 135.00 136.52 2qee s PRO 225 Ca -0.11 0.41 0.32 0.00 0.04 0.00 0.00 61.00 61.66 2qee s PRO 225 Cb -0.08 -1.92 1.91 0.00 0.04 0.00 0.00 34.50 34.46 2qee s PRO 225 CO -0.00 -1.68 2.27 -1.35 0.04 0.00 0.00 177.00 176.27 2qee h PRO 226 N -1.13 0.00 -0.02 0.56 0.11 -1.77 -1.39 132.00 128.37 2qee h PRO 226 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 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 0.62 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.66 2qee n THR 227 N -3.73 0.02 -1.60 -1.15 -2.24 -1.26 -3.93 114.28 100.39 2qee n THR 227 Ca -0.03 -0.09 -0.56 0.00 -2.27 0.00 0.00 64.05 61.10 2qee n THR 227 Cb 0.09 -0.14 -0.07 0.00 -2.10 0.00 0.00 70.33 68.11 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 -0.56 1.41 -4.22 4.78 7.35 -0.52 -4.97 117.46 120.73 2qee n PHE 228 Ca 0.21 0.76 -0.17 0.00 -0.76 0.00 0.00 57.45 57.49 2qee n PHE 228 Cb 0.18 -2.29 -0.13 0.00 0.35 0.00 0.00 39.48 37.60 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 1.07 1.33 -0.23 -2.13 0.01 -1.26 -4.70 113.70 107.79 2qee s SER 229 Ca 0.90 -0.47 -0.17 0.00 1.31 0.00 0.00 55.95 57.52 2qee s SER 229 Cb -1.09 -0.05 0.07 0.00 0.21 0.00 0.00 66.02 65.15 2qee s SER 229 CO 0.55 -0.05 0.59 0.12 0.41 0.00 0.00 173.24 174.87 2qee s PHE 230 N -1.00 -0.79 0.87 2.43 2.19 -1.26 -4.41 117.98 116.00 2qee s PHE 230 Ca -0.02 1.73 -0.11 0.00 0.33 0.00 0.00 56.93 58.85 2qee s PHE 230 Cb -0.08 0.37 0.12 0.00 -1.31 0.00 0.00 43.02 42.12 2qee s PHE 230 CO 0.01 -0.39 1.17 -2.14 1.83 0.00 0.00 175.22 175.70 2qee s PRO 231 N 0.98 1.29 -0.16 10.12 0.02 -1.26 -4.22 135.00 141.77 2qee s PRO 231 Ca -0.05 1.64 -0.14 0.00 0.02 0.00 0.00 61.00 62.47 2qee s PRO 231 Cb -0.05 -1.75 0.04 0.00 0.02 0.00 0.00 34.50 32.76 2qee s PRO 231 CO -0.09 -2.45 0.43 -2.00 -0.33 0.00 0.00 177.00 172.56 2qee s GLU 232 N -4.43 0.49 -1.01 5.54 2.12 -1.26 -5.08 118.70 115.07 2qee s GLU 232 Ca 0.69 0.63 -0.22 0.00 0.36 0.00 0.00 54.97 56.43 2qee s GLU 232 Cb -0.25 0.21 0.06 0.00 0.26 0.00 0.00 34.13 34.41 2qee s GLU 232 CO 0.55 -0.07 1.40 -1.21 -0.54 0.00 0.00 175.26 175.39 2qee s GLU 233 N 0.39 3.60 0.24 4.30 0.41 -1.26 -3.96 118.70 122.42 2qee s GLU 233 Ca -0.01 -1.25 -0.21 0.00 -0.41 0.00 0.00 54.97 53.08 2qee s GLU 233 Cb -0.04 -5.29 0.03 0.00 -1.78 0.00 0.00 34.13 27.05 2qee s GLU 233 CO -0.01 -2.14 0.67 -1.54 -0.49 0.00 0.00 175.26 171.75 2qee s SER 234 N 4.73 -0.34 0.35 -0.19 1.04 -1.26 -4.99 113.70 113.04 2qee s SER 234 Ca 0.44 -0.45 0.07 0.00 0.48 0.00 0.00 55.95 56.49 2qee s SER 234 Cb -0.01 0.68 0.75 0.00 0.10 0.00 0.00 66.02 67.54 2qee s SER 234 CO -0.09 -1.22 1.91 0.78 0.98 0.00 0.00 173.24 175.60 2qee h ASN 235 N 2.02 0.69 -0.21 7.02 2.35 -1.91 -1.22 115.58 124.32 2qee h ASN 235 Ca -0.24 0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.48 2qee h ASN 235 Cb 1.27 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 39.51 2qee h ASN 235 CO 0.28 0.40 -0.05 -0.09 -1.65 0.00 0.00 177.43 176.33 2qee h ARG 236 N 0.76 0.40 -0.70 0.81 2.43 -1.92 -0.81 114.38 115.36 2qee h ARG 236 Ca 0.39 -0.16 -0.07 0.00 -0.81 0.00 0.00 59.98 59.33 2qee h ARG 236 Cb 0.47 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.97 2qee h ARG 236 CO -0.16 0.65 0.16 0.78 -1.51 0.00 0.00 179.97 179.89 2qee h GLY 237 N 0.13 1.21 0.94 2.80 0.00 -1.65 -0.44 103.07 106.06 2qee h GLY 237 Ca 0.05 -0.77 -0.14 0.00 0.00 0.00 0.00 47.33 46.48 2qee h GLY 237 CO 0.02 0.71 -0.41 3.21 0.00 0.00 0.00 176.54 180.07 2qee h ARG 238 N 1.07 0.62 -0.50 4.80 3.08 -1.09 -1.70 114.38 120.65 2qee h ARG 238 Ca 0.22 -0.41 -0.02 0.00 0.07 0.00 0.00 59.98 59.84 2qee h ARG 238 Cb 0.39 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.47 2qee h ARG 238 CO 0.00 1.02 0.24 0.82 -1.07 0.00 0.00 179.97 180.99 2qee h ILE 239 N 0.29 1.20 -0.12 2.04 2.04 -1.01 0.36 117.51 122.30 2qee h ILE 239 Ca 0.00 -0.56 -0.01 0.00 1.00 0.00 0.00 64.86 65.30 2qee h ILE 239 Cb 1.02 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 2qee h ILE 239 CO 0.09 0.22 0.05 0.40 0.00 0.00 0.00 178.15 178.91 2qee h ILE 240 N 0.67 1.15 0.23 -0.67 2.04 -1.09 0.09 117.51 119.93 2qee h ILE 240 Ca 0.17 -0.45 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 2qee h ILE 240 Cb 0.13 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.44 2qee h ILE 240 CO -0.02 0.13 -0.11 -0.09 0.00 0.00 0.00 178.15 178.07 2qee h ARG 241 N 0.03 -0.29 0.00 2.37 2.43 -1.19 -0.90 114.38 116.83 2qee h ARG 241 Ca 0.04 0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.14 2qee h ARG 241 Cb 0.17 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 2qee h ARG 241 CO -0.00 -0.07 -0.95 -0.44 -1.51 0.00 0.00 179.97 177.01 2qee h ASP 242 N -0.48 0.00 0.00 -3.80 3.32 -0.32 -3.41 116.42 111.74 2qee h ASP 242 Ca -0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.02 2qee h ASP 242 Cb 0.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.91 2qee h ASP 242 CO 0.05 0.34 -0.24 0.00 -1.72 0.00 0.00 179.24 177.67 2qee h LEU 244 N 0.00 0.03 -0.17 0.00 6.46 -0.96 -2.34 115.31 118.34 2qee h LEU 244 Ca 0.00 -0.56 -0.01 0.00 -0.12 0.00 0.00 57.88 57.19 2qee h LEU 244 Cb 0.24 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.16 2qee h LEU 244 CO 0.00 0.59 0.06 -0.07 -0.62 0.00 0.00 178.44 178.40 2qee h LEU 245 N -0.53 0.23 -0.62 2.25 3.38 -1.40 0.36 115.31 118.99 2qee h LEU 245 Ca 0.00 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 57.81 2qee h LEU 245 Cb 0.58 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 2qee h LEU 245 CO 0.00 0.35 0.39 -0.65 0.09 0.00 0.00 178.44 178.62 2qee h PRO 246 N 0.11 0.75 -0.51 1.13 0.11 -1.78 -0.48 132.00 131.33 2qee h PRO 246 Ca 0.06 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 66.13 2qee h PRO 246 Cb 0.19 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 31.11 2qee h PRO 246 CO -0.00 0.50 0.34 0.28 -0.21 0.00 0.00 178.00 178.90 2qee h VAL 247 N 0.77 1.12 -0.71 3.15 2.07 -1.24 -1.01 116.25 120.40 2qee h VAL 247 Ca 0.24 -0.24 0.02 0.00 0.82 0.00 0.00 66.70 67.55 2qee h VAL 247 Cb -0.01 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.10 2qee h VAL 247 CO -0.09 0.13 0.46 0.00 0.02 0.00 0.00 177.57 178.09 2qee h ALA 248 N 1.19 0.92 -0.09 1.67 0.00 -0.57 -0.84 119.26 121.54 2qee h ALA 248 Ca 0.19 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2qee h ALA 248 Cb -0.07 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.46 2qee h ALA 248 CO -0.05 0.27 0.02 1.49 0.00 0.00 0.00 179.25 180.99 2qee h GLU 249 N 0.92 0.14 -0.43 0.00 4.81 -0.80 0.13 114.58 119.35 2qee h GLU 249 Ca 0.27 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.51 2qee h GLU 249 Cb -0.04 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.28 2qee h GLU 249 CO -0.08 0.32 0.19 -0.22 -0.73 0.00 0.00 179.01 178.49 2qee h LYS 250 N -0.07 0.38 -0.01 1.92 3.64 -0.92 -2.25 116.57 119.27 2qee h LYS 250 Ca 0.03 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2qee h LYS 250 Cb 0.24 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 2qee h LYS 250 CO 0.00 0.25 -0.00 0.72 -2.27 0.00 0.00 179.45 178.15 2qee n HIS 251 N -4.94 0.00 -3.88 1.91 8.25 -0.34 -4.95 115.22 111.26 2qee n HIS 251 Ca 0.03 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.24 2qee n HIS 251 Cb 0.12 -0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.23 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 -0.42 -0.88 -4.36 0.41 4.05 0.23 -4.98 115.26 109.31 2qee n ASN 252 Ca 0.21 -0.94 -0.34 0.00 0.45 0.00 0.00 54.58 53.97 2qee n ASN 252 Cb 0.23 -3.40 -0.14 0.00 1.23 0.00 0.00 39.78 37.71 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 -3.81 3.33 0.78 -1.44 -1.09 0.14 -4.84 121.20 114.26 2qee s ILE 253 Ca 0.06 -0.53 -0.12 0.00 -2.23 0.00 0.00 60.65 57.82 2qee s ILE 253 Cb -0.03 -2.47 0.06 0.00 -1.58 0.00 0.00 42.46 38.45 2qee s ILE 253 CO 0.86 0.47 1.13 -2.84 -1.23 0.00 0.00 174.94 173.34 2qee s PRO 254 N 0.89 2.04 -0.25 2.79 0.02 -1.26 -4.60 135.00 134.63 2qee s PRO 254 Ca -0.02 1.42 -0.07 0.00 0.02 0.00 0.00 61.00 62.35 2qee s PRO 254 Cb -0.15 -1.85 -0.03 0.00 0.02 0.00 0.00 34.50 32.49 2qee s PRO 254 CO 0.01 -1.84 0.07 0.12 -0.33 0.00 0.00 177.00 175.02 2qee s PHE 255 N -2.56 3.08 -0.19 6.54 5.36 -0.03 -1.95 117.98 128.23 2qee s PHE 255 Ca 0.66 -0.47 -0.13 0.00 -0.96 0.00 0.00 56.93 56.03 2qee s PHE 255 Cb -0.21 -2.24 -0.05 0.00 -0.34 0.00 0.00 43.02 40.19 2qee s PHE 255 CO 0.51 -0.38 0.27 0.00 -1.46 0.00 0.00 175.22 174.17 2qee s ALA 256 N 1.61 3.60 -0.16 11.12 0.00 0.14 -1.22 121.76 136.84 2qee s ALA 256 Ca 0.06 -0.59 0.02 0.00 0.00 0.00 0.00 51.96 51.45 2qee s ALA 256 Cb -0.15 -2.41 0.02 0.00 0.00 0.00 0.00 23.12 20.57 2qee s ALA 256 CO 0.03 -0.06 -0.20 -1.64 0.00 0.00 0.00 175.76 173.89 2qee s MET 257 N 0.80 2.87 -0.39 0.00 1.00 0.37 -1.13 119.30 122.82 2qee s MET 257 Ca 0.14 -0.79 -0.06 0.00 0.00 0.00 0.00 55.69 54.98 2qee s MET 257 Cb -0.13 -2.42 0.08 0.00 0.00 0.00 0.00 34.83 32.36 2qee s MET 257 CO 0.04 -0.13 0.19 -1.64 0.00 0.00 0.00 175.02 173.49 2qee s MET 258 N 1.11 2.41 -0.10 2.03 -1.94 -0.25 -2.41 119.30 120.15 2qee s MET 258 Ca -0.00 -1.51 -0.00 0.00 -1.71 0.00 0.00 55.69 52.46 2qee s MET 258 Cb -0.14 -3.61 -0.02 0.00 2.01 0.00 0.00 34.83 33.07 2qee s MET 258 CO -0.08 -0.92 -0.09 0.42 -0.01 0.00 0.00 175.02 174.34 2qee s ILE 259 N 1.32 3.45 0.00 2.53 1.01 -0.54 -0.59 121.20 128.38 2qee s ILE 259 Ca 0.03 -0.54 0.00 0.00 0.00 0.00 0.00 60.65 60.13 2qee s ILE 259 Cb -0.22 -2.44 0.00 0.00 0.01 0.00 0.00 42.46 39.81 2qee s ILE 259 CO -0.00 0.55 0.00 0.61 0.00 0.00 0.00 174.94 176.10 2qee n GLY 260 N 2.91 0.38 3.68 6.18 0.00 0.11 -0.55 105.19 117.90 2qee n GLY 260 Ca -0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.45 2qee n GLY 260 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qee s VAL 261 N -1.27 5.06 -0.44 1.61 0.11 -1.03 -1.52 120.40 122.91 2qee s VAL 261 Ca 0.00 1.20 -0.15 0.00 -2.93 0.00 0.00 61.98 60.10 2qee s VAL 261 Cb 0.00 -3.94 0.05 0.00 -1.53 0.00 0.00 36.38 30.96 2qee s VAL 261 CO 0.00 0.18 0.35 -0.75 -3.33 0.00 0.00 175.10 171.55 2qee s LYS 262 N 1.45 2.96 0.34 1.54 2.20 0.19 -3.94 119.74 124.48 2qee s LYS 262 Ca 0.30 -1.22 -0.27 0.00 -0.36 0.00 0.00 55.97 54.42 2qee s LYS 262 Cb -0.16 -4.05 -0.09 0.00 -1.51 0.00 0.00 37.83 32.02 2qee s LYS 262 CO 0.12 -0.91 1.15 0.15 -0.36 0.00 0.00 175.35 175.50 2qee s LYS 263 N 1.65 4.36 -1.36 4.03 -0.14 -1.26 -0.42 119.74 126.60 2qee s LYS 263 Ca 0.04 1.85 -0.04 0.00 -1.36 0.00 0.00 55.97 56.47 2qee s LYS 263 Cb -0.22 -2.93 0.02 0.00 -1.68 0.00 0.00 37.83 33.02 2qee s LYS 263 CO 0.08 -0.06 0.80 0.54 -0.76 0.00 0.00 175.35 175.95 2qee n ARG 264 N 0.63 -5.26 0.24 1.68 1.74 -1.21 -4.86 116.66 109.62 2qee n ARG 264 Ca 0.01 0.63 0.12 0.00 -0.77 0.00 0.00 57.85 57.85 2qee n ARG 264 Cb 0.45 -5.31 0.56 0.00 -1.02 0.00 0.00 32.46 27.14 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 0.41 -2.71 1.55 -1.51 -0.89 -3.33 116.25 107.82 2qee h VAL 265 Ca -0.60 -0.88 -0.60 0.00 -1.23 0.00 0.00 66.70 63.39 2qee h VAL 265 Cb 1.36 1.64 -0.39 0.00 -2.13 0.00 0.00 31.29 31.76 2qee h VAL 265 CO 0.59 0.15 -0.82 -2.28 -1.23 0.00 0.00 177.57 173.98 2qee s HIS 266 N -3.73 1.61 0.41 5.19 5.65 -1.02 -5.02 115.29 118.37 2qee s HIS 266 Ca 0.00 -2.32 0.12 0.00 0.25 0.00 0.00 55.06 53.11 2qee s HIS 266 Cb 0.10 -1.46 0.95 0.00 -1.18 0.00 0.00 32.58 30.99 2qee s HIS 266 CO 0.60 -0.78 1.94 -1.35 -0.65 0.00 0.00 174.74 174.51 2qee h PRO 267 N 6.28 0.51 0.00 2.88 0.11 -1.85 -2.04 132.00 137.90 2qee h PRO 267 Ca 0.11 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.17 2qee h PRO 267 Cb 0.91 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.90 2qee h PRO 267 CO 0.43 0.34 -0.10 0.00 -0.21 0.00 0.00 178.00 178.45 2qee h ALA 268 N 1.65 1.23 0.00 -0.75 0.00 -1.95 -1.22 119.26 118.22 2qee h ALA 268 Ca 0.34 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2qee h ALA 268 Cb 0.60 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2qee h ALA 268 CO -0.11 0.13 0.00 1.28 0.00 0.00 0.00 179.25 180.55 2qee n LEU 269 N -3.54 0.00 0.00 0.00 4.77 -0.76 -4.99 117.00 112.47 2qee n LEU 269 Ca -0.02 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 2qee n LEU 269 Cb 0.24 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2qee n LEU 269 CO 0.29 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 2qee n GLY 270 N 0.64 3.56 0.32 -0.72 0.00 -0.46 -1.60 105.19 106.92 2qee n GLY 270 Ca 0.12 -0.09 0.17 0.00 0.00 0.00 0.00 46.02 46.22 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 0.04 0.00 -0.04 1.61 3.32 -1.94 -0.21 116.42 119.20 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 -2.25 2.59 -0.59 3.45 0.00 -0.63 -4.25 120.51 118.83 2qee n ALA 272 Ca -0.02 -0.20 0.09 0.00 0.00 0.00 0.00 53.44 53.31 2qee n ALA 272 Cb 0.13 -1.25 0.33 0.00 0.00 0.00 0.00 19.45 18.67 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 0.86 2.82 3.88 0.00 0.00 -0.09 -4.82 105.19 107.84 2qee n GLY 273 Ca 0.14 -0.83 -0.34 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.99 6.55 0.05 1.61 1.01 -1.26 -0.38 116.67 123.26 2qee s ASP 274 Ca 0.48 0.65 0.00 0.00 0.71 0.00 0.00 52.55 54.40 2qee s ASP 274 Cb 0.31 -2.12 0.00 0.00 1.01 0.00 0.00 42.92 42.12 2qee s ASP 274 CO 0.24 0.19 0.00 0.33 0.21 0.00 0.00 175.17 176.14 2qee n PHE 275 N 0.88 0.05 -4.14 4.23 7.35 0.44 -4.93 117.46 121.34 2qee n PHE 275 Ca -0.09 -0.24 -0.16 0.00 -0.76 0.00 0.00 57.45 56.21 2qee n PHE 275 Cb 0.52 -0.03 -0.11 0.00 0.35 0.00 0.00 39.48 40.21 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 -1.14 0.91 0.01 -2.13 0.11 -1.26 -0.64 120.40 116.26 2qee s VAL 276 Ca 0.00 -1.35 -0.12 0.00 -2.93 0.00 0.00 61.98 57.58 2qee s VAL 276 Cb -0.00 -1.03 0.01 0.00 -1.53 0.00 0.00 36.38 33.83 2qee s VAL 276 CO 0.00 -0.37 0.25 -0.83 -3.33 0.00 0.00 175.10 170.82 2qee s GLY 277 N -1.91 -0.07 0.27 6.54 0.00 -0.57 -4.83 107.32 106.75 2qee s GLY 277 Ca -0.02 0.05 -0.29 0.00 0.00 0.00 0.00 44.72 44.46 2qee s GLY 277 CO 0.01 -0.14 1.31 1.25 0.00 0.00 0.00 173.10 175.53 2qee s LYS 278 N -1.81 4.38 0.22 2.90 2.20 -1.26 -4.43 119.74 121.93 2qee s LYS 278 Ca -0.11 2.14 0.06 0.00 -0.36 0.00 0.00 55.97 57.70 2qee s LYS 278 Cb -0.04 -3.13 -0.04 0.00 -1.51 0.00 0.00 37.83 33.11 2qee s LYS 278 CO 0.01 -0.21 0.19 0.00 -0.36 0.00 0.00 175.35 174.98 2qee s ALA 279 N -0.53 3.62 0.45 3.13 0.00 -1.26 -4.77 121.76 122.41 2qee s ALA 279 Ca 0.53 -1.32 -0.23 0.00 0.00 0.00 0.00 51.96 50.94 2qee s ALA 279 Cb -0.38 -1.38 -0.08 0.00 0.00 0.00 0.00 23.12 21.28 2qee s ALA 279 CO 0.45 0.35 1.14 0.45 0.00 0.00 0.00 175.76 178.15 2qee s SER 280 N -3.58 6.26 0.00 0.00 0.15 -1.25 -4.95 113.70 110.33 2qee s SER 280 Ca 0.32 2.25 0.28 0.00 0.70 0.00 0.00 55.95 59.50 2qee s SER 280 Cb -0.09 -2.60 0.99 0.00 -1.71 0.00 0.00 66.02 62.61 2qee s SER 280 CO 0.25 -0.85 1.72 0.23 1.20 0.00 0.00 173.24 175.79 2qee n MET 281 N -0.45 0.50 -0.26 5.44 2.81 -1.26 -4.42 117.12 119.47 2qee n MET 281 Ca 0.07 -0.21 0.00 0.00 -1.81 0.00 0.00 57.70 55.75 2qee n MET 281 Cb 0.48 -1.50 0.12 0.00 -0.71 0.00 0.00 33.22 31.62 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 0.52 0.63 -0.40 7.83 5.19 -1.93 -0.58 116.42 127.68 2qee h ASP 282 Ca 0.00 0.03 -0.12 0.00 -0.62 0.00 0.00 57.03 56.32 2qee h ASP 282 Cb 0.43 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.84 2qee h ASP 282 CO 0.00 0.39 -0.23 1.23 -3.12 0.00 0.00 179.24 177.52 2qee h GLY 283 N 0.76 0.93 0.87 2.75 0.00 -1.77 0.34 103.07 106.95 2qee h GLY 283 Ca 0.34 -0.86 -0.04 0.00 0.00 0.00 0.00 47.33 46.78 2qee h GLY 283 CO -0.20 0.78 0.03 -2.08 0.00 0.00 0.00 176.54 175.07 2qee h VAL 284 N 0.66 1.24 -0.33 4.60 2.07 -1.74 -1.24 116.25 121.51 2qee h VAL 284 Ca 0.08 -0.83 0.07 0.00 0.82 0.00 0.00 66.70 66.84 2qee h VAL 284 Cb 0.79 1.26 -0.06 0.00 -1.52 0.00 0.00 31.29 31.76 2qee h VAL 284 CO 0.07 0.26 -0.09 -0.08 0.02 0.00 0.00 177.57 177.75 2qee h GLU 285 N 0.25 -0.01 -0.25 1.57 4.81 -0.98 -0.81 114.58 119.16 2qee h GLU 285 Ca 0.08 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.32 2qee h GLU 285 Cb 0.36 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 2qee h GLU 285 CO 0.01 -0.00 0.14 1.25 -0.73 0.00 0.00 179.01 179.67 2qee h HIS 286 N -0.01 0.26 -0.28 0.92 2.76 -0.82 -1.36 115.15 116.62 2qee h HIS 286 Ca 0.16 0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.38 2qee h HIS 286 Cb 0.25 -0.08 -0.03 0.00 1.55 0.00 0.00 27.41 29.10 2qee h HIS 286 CO -0.31 0.15 0.06 -0.07 -1.30 0.00 0.00 177.93 176.46 2qee h LEU 287 N 0.29 0.04 -0.58 0.26 3.38 -0.94 0.13 115.31 117.89 2qee h LEU 287 Ca 0.10 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 2qee h LEU 287 Cb 0.01 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2qee h LEU 287 CO -0.06 0.05 0.15 -0.07 0.09 0.00 0.00 178.44 178.61 2qee h LEU 288 N 0.17 0.86 -0.06 1.67 3.38 -0.90 -1.33 115.31 119.10 2qee h LEU 288 Ca 0.13 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 2qee h LEU 288 Cb 0.12 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 2qee h LEU 288 CO -0.16 0.86 -0.06 -0.09 0.09 0.00 0.00 178.44 179.09 2qee h ARG 289 N 0.82 0.14 0.00 1.13 2.43 -1.01 -3.34 114.38 114.56 2qee h ARG 289 Ca 0.18 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 2qee h ARG 289 Cb 0.33 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 2qee h ARG 289 CO -0.00 0.59 -0.07 0.93 -1.51 0.00 0.00 179.97 179.91 2qee h GLU 290 N -0.30 0.00 -2.19 0.20 4.39 -0.73 -3.35 114.58 112.59 2qee h GLU 290 Ca 0.01 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.14 2qee h GLU 290 Cb 0.56 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 28.80 2qee h GLU 290 CO 0.01 0.00 -0.76 0.66 -1.16 0.00 0.00 179.01 177.77 2qee n TYR 291 N -2.39 2.96 0.30 4.33 4.01 -0.51 -4.93 117.16 120.94 2qee n TYR 291 Ca 0.05 -3.98 0.19 0.00 -0.16 0.00 0.00 57.90 54.00 2qee n TYR 291 Cb 0.45 -0.49 0.92 0.00 -0.31 0.00 0.00 39.34 39.91 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 3.40 0.00 -0.25 -0.72 0.13 -1.71 -1.23 132.00 131.61 2qee h PRO 292 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 2qee h PRO 292 Cb 0.65 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.78 2qee h PRO 292 CO 0.74 0.02 0.00 0.09 -0.23 0.00 0.00 178.00 178.62 2qee n ASN 293 N -3.16 2.08 -4.64 1.44 5.03 -1.26 -4.85 115.26 109.89 2qee n ASN 293 Ca -0.01 -1.82 -0.30 0.00 0.87 0.00 0.00 54.58 53.32 2qee n ASN 293 Cb 0.20 -0.16 -0.09 0.00 -1.02 0.00 0.00 39.78 38.71 2qee n ASN 293 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 2qee s ASN 294 N -1.44 4.75 -0.08 6.41 -0.87 -0.47 -4.77 114.94 118.48 2qee s ASN 294 Ca 0.32 -0.26 -0.01 0.00 -1.57 0.00 0.00 52.86 51.34 2qee s ASN 294 Cb 0.18 -1.04 -0.03 0.00 -0.02 0.00 0.00 41.25 40.33 2qee s ASN 294 CO 0.26 0.18 -0.01 -0.54 -2.57 0.00 0.00 177.10 174.42 2qee s LYS 295 N -2.24 2.94 -0.06 -0.60 1.02 -1.26 -4.84 119.74 114.69 2qee s LYS 295 Ca 0.24 -0.44 0.02 0.00 0.02 0.00 0.00 55.97 55.80 2qee s LYS 295 Cb -0.11 -2.76 0.02 0.00 -0.52 0.00 0.00 37.83 34.45 2qee s LYS 295 CO 0.16 0.69 -0.10 -0.06 -0.92 0.00 0.00 175.35 175.12 2qee s PHE 296 N -0.90 1.24 -0.19 3.18 0.08 0.30 -0.85 117.98 120.85 2qee s PHE 296 Ca 0.14 -0.44 -0.08 0.00 0.12 0.00 0.00 56.93 56.67 2qee s PHE 296 Cb -0.11 -0.95 -0.04 0.00 -0.57 0.00 0.00 43.02 41.35 2qee s PHE 296 CO 0.03 -0.25 0.09 -0.51 -0.10 0.00 0.00 175.22 174.48 2qee s LEU 297 N 0.75 4.02 -0.02 -0.37 1.43 -0.36 -0.94 118.68 123.19 2qee s LEU 297 Ca -0.13 0.17 0.02 0.00 -1.03 0.00 0.00 54.13 53.15 2qee s LEU 297 Cb -0.15 -2.02 0.00 0.00 0.03 0.00 0.00 46.19 44.05 2qee s LEU 297 CO 0.02 0.19 -0.06 -0.69 0.23 0.00 0.00 176.35 176.04 2qee s VAL 298 N 0.28 0.53 0.06 -1.59 1.01 -0.61 -0.48 120.40 119.61 2qee s VAL 298 Ca 0.06 -0.24 0.05 0.00 0.00 0.00 0.00 61.98 61.84 2qee s VAL 298 Cb -0.12 -0.48 -0.03 0.00 0.00 0.00 0.00 36.38 35.76 2qee s VAL 298 CO -0.01 0.17 -0.13 0.28 0.00 0.00 0.00 175.10 175.41 2qee s THR 299 N 0.12 1.03 0.09 3.92 -1.32 -1.01 -1.98 115.64 116.49 2qee s THR 299 Ca -0.01 -1.24 0.06 0.00 -1.21 0.00 0.00 61.69 59.28 2qee s THR 299 Cb -0.06 -0.99 -0.03 0.00 -1.51 0.00 0.00 72.50 69.90 2qee s THR 299 CO -0.00 -0.23 -0.15 -0.04 -2.21 0.00 0.00 174.62 171.99 2qee s MET 300 N -1.66 0.91 -0.04 7.08 -1.94 -1.26 -1.47 119.30 120.92 2qee s MET 300 Ca -0.03 -1.05 0.15 0.00 -1.71 0.00 0.00 55.69 53.05 2qee s MET 300 Cb -0.10 -0.91 -0.21 0.00 2.01 0.00 0.00 34.83 35.62 2qee s MET 300 CO 0.02 0.20 0.59 -0.11 -0.01 0.00 0.00 175.02 175.71 2qee n LEU 301 N 1.06 0.68 -4.75 -0.03 7.94 0.29 -4.61 117.00 117.57 2qee n LEU 301 Ca -0.19 0.31 -0.40 0.00 -1.11 0.00 0.00 56.01 54.62 2qee n LEU 301 Cb 0.55 0.20 -0.06 0.00 0.53 0.00 0.00 43.42 44.64 2qee n LEU 301 CO 0.23 0.33 0.64 -0.55 -1.11 0.00 0.00 177.39 176.93 2qee s SER 302 N -5.84 7.59 0.38 1.96 0.15 -1.26 -4.52 113.70 112.16 2qee s SER 302 Ca -0.05 1.88 0.08 0.00 0.70 0.00 0.00 55.95 58.56 2qee s SER 302 Cb 0.08 -2.60 0.83 0.00 -1.71 0.00 0.00 66.02 62.63 2qee s SER 302 CO 0.82 0.10 1.96 -0.09 1.20 0.00 0.00 173.24 177.24 2qee h ARG 303 N 4.57 0.62 0.00 5.44 2.43 -1.95 -2.16 114.38 123.33 2qee h ARG 303 Ca -0.45 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 2qee h ARG 303 Cb 1.20 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 2qee h ARG 303 CO 0.69 0.41 0.00 0.39 -1.51 0.00 0.00 179.97 179.95 2qee n GLU 304 N -4.48 0.22 0.02 0.20 4.71 -1.26 -2.39 120.64 117.66 2qee n GLU 304 Ca 0.10 0.01 0.12 0.00 -0.01 0.00 0.00 57.16 57.38 2qee n GLU 304 Cb 0.28 -1.50 0.16 0.00 -1.01 0.00 0.00 31.44 29.37 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 -1.39 0.60 -0.06 1.62 5.03 -0.81 -4.67 115.26 115.57 2qee n ASN 305 Ca 0.11 -0.24 -0.14 0.00 0.87 0.00 0.00 54.58 55.18 2qee n ASN 305 Cb 0.28 0.40 -0.06 0.00 -1.02 0.00 0.00 39.78 39.38 2qee n ASN 305 CO 0.00 0.00 0.00 1.56 -1.83 0.00 0.00 177.26 176.99 2qee h GLN 306 N 0.00 0.48 -0.19 3.52 1.08 -1.56 -0.74 115.11 117.70 2qee h GLN 306 Ca 0.00 -0.28 -0.01 0.00 -1.45 0.00 0.00 58.65 56.91 2qee h GLN 306 Cb 0.59 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.03 2qee h GLN 306 CO 0.00 0.87 0.08 1.25 -0.95 0.00 0.00 178.83 180.08 2qee h HIS 307 N 0.13 0.28 -0.03 2.96 2.76 -1.83 -2.18 115.15 117.24 2qee h HIS 307 Ca 0.02 -0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.08 2qee h HIS 307 Cb 0.81 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 29.67 2qee h HIS 307 CO 0.09 0.33 -0.39 1.05 -1.30 0.00 0.00 177.93 177.71 2qee h GLU 308 N 0.16 0.07 -0.69 5.26 4.11 -1.84 -1.23 114.58 120.41 2qee h GLU 308 Ca 0.06 -0.03 0.02 0.00 0.07 0.00 0.00 59.36 59.49 2qee h GLU 308 Cb 0.16 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 2qee h GLU 308 CO -0.01 0.45 0.44 1.25 0.07 0.00 0.00 179.01 181.21 2qee h LEU 309 N 0.06 0.74 -0.68 3.06 5.85 -0.85 0.08 115.31 123.57 2qee h LEU 309 Ca 0.00 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.74 2qee h LEU 309 Cb 0.71 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.53 2qee h LEU 309 CO 0.05 0.52 0.44 0.58 -0.34 0.00 0.00 178.44 179.69 2qee h VAL 310 N 0.88 1.12 -0.31 1.05 2.07 -0.71 -1.23 116.25 119.13 2qee h VAL 310 Ca 0.27 -0.30 -0.08 0.00 0.82 0.00 0.00 66.70 67.41 2qee h VAL 310 Cb -0.03 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 29.90 2qee h VAL 310 CO -0.09 0.16 -0.16 0.58 0.02 0.00 0.00 177.57 178.08 2qee h VAL 311 N 0.87 1.25 -0.66 2.57 2.07 -0.78 -1.52 116.25 120.05 2qee h VAL 311 Ca 0.27 -1.13 -0.07 0.00 0.82 0.00 0.00 66.70 66.59 2qee h VAL 311 Cb -0.02 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 2qee h VAL 311 CO -0.09 0.37 0.14 0.25 0.02 0.00 0.00 177.57 178.26 2qee h LEU 312 N 0.50 1.01 -1.18 2.57 5.85 -0.47 -1.59 115.31 122.00 2qee h LEU 312 Ca 0.08 -0.22 0.05 0.00 0.84 0.00 0.00 57.88 58.63 2qee h LEU 312 Cb 0.57 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.28 2qee h LEU 312 CO 0.04 0.98 0.57 0.00 -0.34 0.00 0.00 178.44 179.69 2qee h ALA 313 N 1.14 1.49 -0.08 1.25 0.00 -0.53 -0.09 119.26 122.44 2qee h ALA 313 Ca 0.21 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.11 2qee h ALA 313 Cb 0.39 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2qee h ALA 313 CO 0.01 0.40 0.07 0.00 0.00 0.00 0.00 179.25 179.73 2qee h ARG 314 N 1.04 0.00 0.01 0.00 3.08 -0.31 -3.03 114.38 115.17 2qee h ARG 314 Ca 0.36 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 60.15 2qee h ARG 314 Cb 0.10 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.11 2qee h ARG 314 CO -0.12 0.00 -1.38 0.87 -1.07 0.00 0.00 179.97 178.28 2qee h LYS 315 N 0.00 0.02 -4.16 0.04 1.79 -0.73 -3.46 116.57 110.07 2qee h LYS 315 Ca 0.04 -0.04 -0.53 0.00 -2.18 0.00 0.00 60.65 57.94 2qee h LYS 315 Cb 0.17 0.02 -0.37 0.00 -1.58 0.00 0.00 32.23 30.46 2qee h LYS 315 CO -0.00 0.78 -0.80 -0.06 -1.08 0.00 0.00 179.45 178.29 2qee s PHE 316 N -2.65 1.50 -0.51 -1.35 0.08 -0.88 -5.00 117.98 109.16 2qee s PHE 316 Ca -0.03 -0.82 0.26 0.00 0.12 0.00 0.00 56.93 56.46 2qee s PHE 316 Cb 0.09 -1.23 0.86 0.00 -0.57 0.00 0.00 43.02 42.16 2qee s PHE 316 CO 0.82 -0.54 1.76 0.66 -0.10 0.00 0.00 175.22 177.82 2qee h SER 317 N 8.17 0.00 -0.13 1.36 4.64 -1.90 -2.60 113.55 123.09 2qee h SER 317 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 2qee h SER 317 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 2qee h SER 317 CO 0.40 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 175.90 2qee n ASN 318 N -2.48 0.71 -4.51 4.97 6.94 -1.26 -4.74 115.26 114.89 2qee n ASN 318 Ca 0.04 -1.96 -0.34 0.00 -0.02 0.00 0.00 54.58 52.30 2qee n ASN 318 Cb 0.37 -0.09 -0.12 0.00 -2.36 0.00 0.00 39.78 37.59 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 -1.04 3.28 -0.17 -4.53 2.96 -0.98 -0.54 118.68 117.65 2qee s LEU 319 Ca 0.11 -0.11 0.01 0.00 -0.22 0.00 0.00 54.13 53.91 2qee s LEU 319 Cb 0.05 -1.79 0.02 0.00 0.50 0.00 0.00 46.19 44.98 2qee s LEU 319 CO 0.07 0.18 -0.16 -0.32 -1.32 0.00 0.00 176.35 174.80 2qee s MET 320 N 0.30 2.61 0.16 1.98 -2.45 -0.11 -4.94 119.30 116.84 2qee s MET 320 Ca -0.03 -0.76 -0.11 0.00 -1.25 0.00 0.00 55.69 53.54 2qee s MET 320 Cb -0.14 -2.40 -0.07 0.00 1.25 0.00 0.00 34.83 33.47 2qee s MET 320 CO 0.03 -0.26 0.51 0.96 1.05 0.00 0.00 175.02 177.31 2qee s ILE 321 N 1.36 4.96 -0.03 10.11 -4.36 -1.26 -1.58 121.20 130.40 2qee s ILE 321 Ca 0.04 0.56 -0.02 0.00 -0.26 0.00 0.00 60.65 60.97 2qee s ILE 321 Cb -0.14 -3.66 0.02 0.00 1.25 0.00 0.00 42.46 39.93 2qee s ILE 321 CO -0.11 0.12 0.07 0.72 0.24 0.00 0.00 174.94 175.98 2qee s PHE 322 N -1.59 -0.07 0.16 1.37 -0.12 -0.84 -2.06 117.98 114.83 2qee s PHE 322 Ca 0.41 0.21 0.00 0.00 -0.05 0.00 0.00 56.93 57.50 2qee s PHE 322 Cb -0.13 -0.04 0.00 0.00 -0.63 0.00 0.00 43.02 42.22 2qee s PHE 322 CO 0.20 -0.07 0.00 0.41 -0.05 0.00 0.00 175.22 175.71 2qee n GLY 323 N 3.45 -2.04 2.94 1.99 0.00 0.15 -4.36 105.19 107.32 2qee n GLY 323 Ca -0.17 -1.37 -0.31 0.00 0.00 0.00 0.00 46.02 44.17 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 0.96 3.46 0.00 0.00 -0.00 -1.26 -3.63 118.94 118.47 2qee s TRP 325 Ca 0.11 1.28 0.00 0.00 -0.00 0.00 0.00 56.10 57.49 2qee s TRP 325 Cb -0.19 -2.99 0.00 0.00 -0.00 0.00 0.00 33.47 30.29 2qee s TRP 325 CO -0.11 -0.18 0.00 1.87 -0.00 0.00 0.00 176.95 178.53 2qee n TRP 326 N 4.92 0.00 0.63 5.86 -0.00 -1.26 -0.87 117.44 126.73 2qee n TRP 326 Ca 0.04 0.00 0.09 0.00 -0.00 0.00 0.00 57.50 57.63 2qee n TRP 326 Cb 0.49 0.00 0.40 0.00 -0.00 0.00 0.00 31.31 32.20 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 0.02 1.05 5.87 3.72 -1.26 -0.52 117.46 126.34 2qee n PHE 327 Ca 0.00 0.01 0.13 0.00 -0.05 0.00 0.00 57.45 57.53 2qee n PHE 327 Cb 0.00 -0.51 0.34 0.00 -0.94 0.00 0.00 39.48 38.37 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 -1.51 0.14 -1.88 -1.08 2.81 -0.05 -4.59 117.12 110.96 2qee n MET 328 Ca 0.04 -0.07 -0.36 0.00 -1.81 0.00 0.00 57.70 55.51 2qee n MET 328 Cb 0.22 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.21 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 -1.37 7.47 -4.02 7.83 5.15 0.32 -3.58 115.26 127.07 2qee n ASN 329 Ca 0.07 -3.23 -0.17 0.00 -0.60 0.00 0.00 54.58 50.66 2qee n ASN 329 Cb 0.33 -1.29 -0.14 0.00 -0.53 0.00 0.00 39.78 38.15 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 0.19 0.92 0.28 1.20 0.01 -1.26 -4.94 114.94 111.34 2qee s ASN 330 Ca 0.54 -0.24 -0.00 0.00 -0.71 0.00 0.00 52.86 52.45 2qee s ASN 330 Cb 0.26 -0.07 0.65 0.00 0.41 0.00 0.00 41.25 42.50 2qee s ASN 330 CO -0.15 0.03 1.62 -0.65 -1.51 0.00 0.00 177.10 176.43 2qee h PRO 331 N 5.58 0.10 -0.60 -0.60 0.11 -1.97 0.25 132.00 134.87 2qee h PRO 331 Ca -0.31 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.75 2qee h PRO 331 Cb 1.19 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 2qee h PRO 331 CO 0.47 0.07 0.19 1.49 -0.21 0.00 0.00 178.00 180.02 2qee h GLU 332 N 0.11 0.90 0.11 1.05 4.57 -1.97 -1.18 114.58 118.17 2qee h GLU 332 Ca 0.53 -0.17 -0.19 0.00 -1.18 0.00 0.00 59.36 58.36 2qee h GLU 332 Cb 1.05 -0.14 0.01 0.00 -0.16 0.00 0.00 28.75 29.51 2qee h GLU 332 CO -0.75 0.77 -0.88 0.82 -1.18 0.00 0.00 179.01 177.80 2qee h ILE 333 N 0.88 1.39 -0.75 2.32 1.08 -1.31 -2.73 117.51 118.39 2qee h ILE 333 Ca 0.20 -2.46 0.13 0.00 -0.39 0.00 0.00 64.86 62.35 2qee h ILE 333 Cb 0.25 3.05 -0.09 0.00 -3.07 0.00 0.00 36.82 36.95 2qee h ILE 333 CO -0.01 0.68 0.31 0.40 -0.69 0.00 0.00 178.15 178.84 2qee h ILE 334 N -0.48 0.69 0.25 -0.67 2.04 -0.54 0.09 117.51 118.89 2qee h ILE 334 Ca -0.18 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 2qee h ILE 334 Cb 1.56 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 2qee h ILE 334 CO 0.08 0.09 -0.12 -1.13 0.00 0.00 0.00 178.15 177.07 2qee h ASN 335 N 0.48 -0.29 -0.90 1.72 -1.24 -1.26 -0.47 115.58 113.61 2qee h ASN 335 Ca 0.40 -0.14 -0.01 0.00 0.71 0.00 0.00 56.30 57.26 2qee h ASN 335 Cb 0.58 0.07 -0.04 0.00 0.73 0.00 0.00 38.32 39.66 2qee h ASN 335 CO -0.38 -0.02 0.52 1.05 -1.29 0.00 0.00 177.43 177.32 2qee h GLU 336 N -0.57 1.24 -0.23 6.67 4.11 -1.18 -1.83 114.58 122.79 2qee h GLU 336 Ca -0.03 -0.13 -0.03 0.00 0.07 0.00 0.00 59.36 59.24 2qee h GLU 336 Cb 0.41 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 2qee h GLU 336 CO 0.06 0.88 0.02 0.52 0.07 0.00 0.00 179.01 180.56 2qee h MET 337 N 1.25 0.39 -0.82 1.06 2.86 -0.88 -1.32 114.93 117.47 2qee h MET 337 Ca 0.32 -0.11 -0.03 0.00 -2.06 0.00 0.00 59.70 57.82 2qee h MET 337 Cb -0.02 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.56 2qee h MET 337 CO -0.06 0.55 0.39 1.15 1.06 0.00 0.00 176.91 180.00 2qee h THR 338 N 0.18 1.26 -0.12 2.22 2.02 -0.93 -0.28 112.91 117.26 2qee h THR 338 Ca 0.07 -0.73 -0.02 0.00 0.77 0.00 0.00 66.41 66.49 2qee h THR 338 Cb 0.36 0.21 -0.00 0.00 -1.74 0.00 0.00 68.15 66.97 2qee h THR 338 CO 0.01 0.31 -0.01 0.03 0.37 0.00 0.00 175.52 176.23 2qee h ARG 339 N 1.18 0.22 -0.69 6.66 3.08 -1.20 -0.75 114.38 122.88 2qee h ARG 339 Ca 0.28 -0.08 0.04 0.00 0.07 0.00 0.00 59.98 60.29 2qee h ARG 339 Cb 0.13 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.12 2qee h ARG 339 CO -0.03 0.49 0.42 0.52 -1.07 0.00 0.00 179.97 180.30 2qee h MET 340 N -0.06 0.79 -0.11 0.04 2.86 -1.05 0.72 114.93 118.12 2qee h MET 340 Ca 0.03 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 2qee h MET 340 Cb 0.39 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 31.87 2qee h MET 340 CO 0.01 0.52 0.04 0.00 1.06 0.00 0.00 176.91 178.54 2qee h ARG 341 N 0.81 0.16 -0.49 1.72 3.08 -0.95 -2.33 114.38 116.39 2qee h ARG 341 Ca 0.29 -0.03 -0.13 0.00 0.07 0.00 0.00 59.98 60.17 2qee h ARG 341 Cb 0.06 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 2qee h ARG 341 CO -0.13 0.30 -0.20 1.98 -1.07 0.00 0.00 179.97 180.86 2qee h MET 342 N -0.00 0.98 -0.51 0.04 4.05 -0.92 0.15 114.93 118.72 2qee h MET 342 Ca 0.03 -0.41 -0.01 0.00 -0.28 0.00 0.00 59.70 59.04 2qee h MET 342 Cb 0.20 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 30.94 2qee h MET 342 CO -0.00 1.08 0.28 0.93 0.23 0.00 0.00 176.91 179.43 2qee h GLU 343 N 0.85 0.69 0.00 0.39 5.08 -0.68 -0.41 114.58 120.50 2qee h GLU 343 Ca 0.11 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2qee h GLU 343 Cb 0.77 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.87 2qee h GLU 343 CO 0.06 0.51 -1.40 -1.33 -1.00 0.00 0.00 179.01 175.85 2qee n MET 344 N -4.41 0.66 0.00 2.33 2.81 -0.89 -4.57 117.12 113.04 2qee n MET 344 Ca 0.04 -0.09 0.00 0.00 -1.81 0.00 0.00 57.70 55.84 2qee n MET 344 Cb 0.09 -1.43 0.00 0.00 -0.71 0.00 0.00 33.22 31.17 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 -1.82 0.41 0.00 4.03 4.77 0.50 -4.87 117.00 120.03 2qee n LEU 345 Ca -0.00 -0.57 0.00 0.00 -0.03 0.00 0.00 56.01 55.41 2qee n LEU 345 Cb 0.40 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 2qee n LEU 345 CO 0.40 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 2qee n GLY 346 N 0.31 2.78 1.34 -0.72 0.00 -0.17 -1.62 105.19 107.11 2qee n GLY 346 Ca 0.00 -0.24 0.09 0.00 0.00 0.00 0.00 46.02 45.87 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 1.76 -1.24 2.61 -2.24 -1.26 -4.35 114.28 109.56 2qee n THR 347 Ca 0.00 -1.27 -0.20 0.00 -2.27 0.00 0.00 64.05 60.31 2qee n THR 347 Cb 0.00 0.14 -0.09 0.00 -2.10 0.00 0.00 70.33 68.28 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 0.80 6.01 -3.42 3.42 3.41 -0.64 -4.71 113.62 118.49 2qee n SER 348 Ca 0.23 -2.92 -0.10 0.00 -0.26 0.00 0.00 58.87 55.82 2qee n SER 348 Cb 0.82 -1.28 -0.02 0.00 -0.26 0.00 0.00 64.21 63.46 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 -0.72 0.43 -0.38 7.33 -0.12 -1.26 -4.82 117.98 118.44 2qee s PHE 349 Ca 0.58 -0.87 -0.05 0.00 -0.05 0.00 0.00 56.93 56.54 2qee s PHE 349 Cb 0.34 0.37 0.08 0.00 -0.63 0.00 0.00 43.02 43.18 2qee s PHE 349 CO -0.12 -1.25 0.17 0.42 -0.05 0.00 0.00 175.22 174.39 2qee s ILE 350 N -3.18 3.57 0.43 -4.49 1.01 -0.87 -4.71 121.20 112.95 2qee s ILE 350 Ca 0.21 -1.61 0.12 0.00 0.00 0.00 0.00 60.65 59.38 2qee s ILE 350 Cb -0.03 -3.23 0.19 0.00 0.01 0.00 0.00 42.46 39.40 2qee s ILE 350 CO 0.13 -0.45 1.99 1.55 0.00 0.00 0.00 174.94 178.15 2qee h PRO 351 N 8.17 0.13 -3.08 2.79 0.13 -1.86 0.44 132.00 138.73 2qee h PRO 351 Ca -0.19 -0.02 -0.07 0.00 -0.87 0.00 0.00 66.00 64.84 2qee h PRO 351 Cb 1.07 -0.02 -0.16 0.00 0.13 0.00 0.00 31.00 32.01 2qee h PRO 351 CO 0.67 0.25 -0.09 -1.14 -0.23 0.00 0.00 178.00 177.46 2qee s GLN 352 N -4.79 0.95 0.11 0.86 2.00 -1.26 -3.45 119.66 114.08 2qee s GLN 352 Ca -0.05 -0.42 -0.02 0.00 -2.00 0.00 0.00 55.36 52.88 2qee s GLN 352 Cb 0.16 0.42 -0.04 0.00 0.80 0.00 0.00 33.01 34.36 2qee s GLN 352 CO 0.71 -0.34 0.05 -3.38 -0.50 0.00 0.00 175.29 171.84 2qee s HIS 353 N -2.71 0.73 -0.07 1.67 -3.43 -1.26 -4.64 115.29 105.58 2qee s HIS 353 Ca -0.04 -1.15 0.09 0.00 -0.80 0.00 0.00 55.06 53.16 2qee s HIS 353 Cb -0.00 -0.42 -0.24 0.00 -1.43 0.00 0.00 32.58 30.49 2qee s HIS 353 CO -0.04 -0.50 0.56 -1.13 -2.00 0.00 0.00 174.74 171.64 2qee n SER 354 N -0.05 1.11 -2.35 7.38 3.41 -1.25 -4.72 113.62 117.15 2qee n SER 354 Ca -0.08 0.35 -0.14 0.00 -0.26 0.00 0.00 58.87 58.74 2qee n SER 354 Cb 0.63 -0.19 -0.01 0.00 -0.26 0.00 0.00 64.21 64.38 2qee n SER 354 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2qee n ASP 355 N -3.12 -4.25 -4.70 4.04 -0.08 -0.33 -4.87 116.55 103.24 2qee n ASP 355 Ca -0.21 0.17 -0.43 0.00 -1.51 0.00 0.00 54.79 52.81 2qee n ASP 355 Cb 1.06 -3.62 -0.03 0.00 2.34 0.00 0.00 41.12 40.86 2qee n ASP 355 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2qee n ALA 356 N -1.95 2.34 -0.00 -1.67 0.00 -1.26 -4.43 120.51 113.54 2qee n ALA 356 Ca -0.16 0.40 0.05 0.00 0.00 0.00 0.00 53.44 53.73 2qee n ALA 356 Cb 0.61 -2.48 -0.12 0.00 0.00 0.00 0.00 19.45 17.46 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 4.02 0.65 -5.00 0.00 1.74 -1.26 0.06 116.66 116.87 2qee n ARG 357 Ca 0.17 -0.03 -0.30 0.00 -0.77 0.00 0.00 57.85 56.92 2qee n ARG 357 Cb 0.33 -1.62 -0.17 0.00 -1.02 0.00 0.00 32.46 29.98 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 -3.18 1.76 0.22 1.55 1.01 -1.26 -4.36 120.40 116.14 2qee s VAL 358 Ca -0.06 -0.85 -0.14 0.00 0.00 0.00 0.00 61.98 60.93 2qee s VAL 358 Cb 0.11 -1.54 0.27 0.00 0.00 0.00 0.00 36.38 35.21 2qee s VAL 358 CO 0.86 0.49 1.60 0.25 0.00 0.00 0.00 175.10 178.30 2qee h LEU 359 N 6.81 -0.85 -1.96 3.92 5.85 -1.02 -0.81 115.31 127.26 2qee h LEU 359 Ca -0.23 0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2qee h LEU 359 Cb 1.22 0.51 0.00 0.00 0.37 0.00 0.00 40.66 42.76 2qee h LEU 359 CO 0.47 -0.27 0.00 -0.33 -0.34 0.00 0.00 178.44 177.98 2qee h GLU 360 N -0.04 0.00 0.00 1.25 3.07 -1.93 -2.48 114.58 114.45 2qee h GLU 360 Ca 0.33 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.19 2qee h GLU 360 Cb 0.56 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.47 2qee h GLU 360 CO -0.77 0.00 -0.03 1.96 -1.40 0.00 0.00 179.01 178.77 2qee h GLN 361 N 0.00 0.00 -0.85 2.33 4.20 -1.55 -0.11 115.11 119.13 2qee h GLN 361 Ca 0.00 0.00 0.20 0.00 0.06 0.00 0.00 58.65 58.91 2qee h GLN 361 Cb 0.14 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.86 2qee h GLN 361 CO 0.00 0.03 0.57 -0.07 -0.67 0.00 0.00 178.83 178.69 2qee h LEU 362 N 0.00 0.34 0.70 1.46 3.38 -1.62 0.12 115.31 119.69 2qee h LEU 362 Ca -0.00 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 2qee h LEU 362 Cb 0.12 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 40.85 2qee h LEU 362 CO 0.00 0.14 -0.34 0.40 0.09 0.00 0.00 178.44 178.74 2qee h ILE 363 N 0.34 0.18 -0.02 1.22 2.04 -1.25 -2.67 117.51 117.36 2qee h ILE 363 Ca 0.43 -0.22 -0.21 0.00 1.00 0.00 0.00 64.86 65.87 2qee h ILE 363 Cb 1.16 0.23 -0.00 0.00 -0.74 0.00 0.00 36.82 37.47 2qee h ILE 363 CO -0.14 0.02 -0.87 0.10 0.00 0.00 0.00 178.15 177.25 2qee h TYR 364 N -1.12 0.55 -0.74 1.37 -0.00 -1.60 -1.42 116.97 114.01 2qee h TYR 364 Ca -0.10 -0.29 -0.02 0.00 0.00 0.00 0.00 58.73 58.33 2qee h TYR 364 Cb 0.75 -0.07 -0.03 0.00 0.00 0.00 0.00 36.73 37.38 2qee h TYR 364 CO -0.00 1.09 0.38 0.87 -0.00 0.00 0.00 178.16 180.49 2qee h LYS 365 N 0.23 1.05 0.14 0.10 1.79 -0.83 0.35 116.57 119.39 2qee h LYS 365 Ca -0.06 -0.14 -0.29 0.00 -2.18 0.00 0.00 60.65 57.97 2qee h LYS 365 Cb 1.49 -0.20 0.02 0.00 -1.58 0.00 0.00 32.23 31.97 2qee h LYS 365 CO 0.15 0.80 -1.27 -1.49 -1.08 0.00 0.00 179.45 176.56 2qee h TRP 366 N 1.03 0.85 0.02 -1.35 4.06 -1.47 -2.64 115.95 116.44 2qee h TRP 366 Ca 0.26 -0.56 -0.00 0.00 2.06 0.00 0.00 58.89 60.64 2qee h TRP 366 Cb 0.08 -0.06 0.00 0.00 -1.00 0.00 0.00 29.16 28.18 2qee h TRP 366 CO 0.00 1.42 -0.01 1.25 -3.56 0.00 0.00 178.44 177.54 2qee h HIS 367 N 0.20 -0.02 -0.45 0.49 2.76 -1.11 0.17 115.15 117.19 2qee h HIS 367 Ca -0.18 -0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 57.87 2qee h HIS 367 Cb 1.95 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 30.90 2qee h HIS 367 CO 0.10 0.00 -0.20 0.45 -1.30 0.00 0.00 177.93 176.98 2qee h HIS 368 N -0.04 1.01 -0.08 5.26 3.86 -1.01 -2.80 115.15 121.35 2qee h HIS 368 Ca -0.00 -0.23 -0.22 0.00 -1.16 0.00 0.00 60.37 58.76 2qee h HIS 368 Cb 0.04 -0.24 0.01 0.00 1.06 0.00 0.00 27.41 28.28 2qee h HIS 368 CO -0.07 1.01 -0.80 0.77 0.86 0.00 0.00 177.93 179.70 2qee h SER 369 N 0.78 0.84 -0.95 2.45 0.02 -1.41 -3.23 113.55 112.04 2qee h SER 369 Ca 0.11 -0.68 0.05 0.00 -0.84 0.00 0.00 61.79 60.42 2qee h SER 369 Cb 0.74 -0.25 -0.06 0.00 0.14 0.00 0.00 62.40 62.97 2qee h SER 369 CO 0.06 1.40 0.62 0.11 -1.14 0.00 0.00 176.83 177.88 2qee h LYS 370 N 0.36 1.13 -0.58 3.45 1.57 -0.60 -0.81 116.57 121.09 2qee h LYS 370 Ca -0.08 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.61 2qee h LYS 370 Cb 1.45 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 33.48 2qee h LYS 370 CO 0.16 0.75 0.27 0.66 -0.57 0.00 0.00 179.45 180.72 2qee h SER 371 N 1.16 0.76 0.05 0.86 4.64 -1.56 0.14 113.55 119.60 2qee h SER 371 Ca 0.39 -0.14 -0.00 0.00 -0.47 0.00 0.00 61.79 61.57 2qee h SER 371 Cb 0.07 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 61.96 2qee h SER 371 CO -0.13 0.69 -0.02 0.40 -0.87 0.00 0.00 176.83 176.89 2qee h ILE 372 N 0.79 1.12 -0.93 0.95 2.04 -1.51 -1.99 117.51 117.97 2qee h ILE 372 Ca 0.20 -0.56 0.03 0.00 1.00 0.00 0.00 64.86 65.53 2qee h ILE 372 Cb 0.13 1.49 -0.05 0.00 -0.74 0.00 0.00 36.82 37.65 2qee h ILE 372 CO -0.02 0.14 0.61 0.40 0.00 0.00 0.00 178.15 179.28 2qee h ILE 373 N -0.32 1.17 -0.72 -0.67 2.04 -0.90 -1.55 117.51 116.57 2qee h ILE 373 Ca -0.01 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.45 2qee h ILE 373 Cb 0.28 -0.11 -0.04 0.00 -0.74 0.00 0.00 36.82 36.21 2qee h ILE 373 CO 0.01 0.22 0.46 0.00 0.00 0.00 0.00 178.15 178.83 2qee h ALA 374 N 1.45 0.91 -0.54 1.87 0.00 -0.59 -0.31 119.26 122.05 2qee h ALA 374 Ca 0.36 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 2qee h ALA 374 Cb -0.02 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 2qee h ALA 374 CO -0.11 0.36 0.29 0.93 0.00 0.00 0.00 179.25 180.72 2qee h GLU 375 N 0.97 0.75 -0.24 0.00 5.08 -0.68 -0.17 114.58 120.30 2qee h GLU 375 Ca 0.26 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 2qee h GLU 375 Cb -0.08 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 2qee h GLU 375 CO -0.05 0.59 0.11 0.28 -1.00 0.00 0.00 179.01 178.94 2qee h VAL 376 N 0.72 1.14 -0.71 3.13 2.07 -0.88 -2.24 116.25 119.47 2qee h VAL 376 Ca 0.19 -0.42 0.03 0.00 0.82 0.00 0.00 66.70 67.32 2qee h VAL 376 Cb 0.06 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 2qee h VAL 376 CO -0.03 0.14 0.45 -0.07 0.02 0.00 0.00 177.57 178.09 2qee h LEU 377 N 0.26 0.75 -0.21 2.57 3.38 -0.70 -1.03 115.31 120.34 2qee h LEU 377 Ca 0.08 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.09 2qee h LEU 377 Cb 0.12 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 2qee h LEU 377 CO -0.01 0.53 -0.04 0.40 0.09 0.00 0.00 178.44 179.41 2qee h ILE 378 N 0.89 0.81 -0.50 1.22 2.04 -0.89 0.16 117.51 121.25 2qee h ILE 378 Ca 0.28 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.14 2qee h ILE 378 Cb -0.01 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 2qee h ILE 378 CO -0.10 0.00 0.31 0.44 0.00 0.00 0.00 178.15 178.81 2qee h ASP 379 N 0.01 0.59 -0.35 1.72 3.32 -0.96 0.12 116.42 120.87 2qee h ASP 379 Ca 0.10 -0.04 -0.10 0.00 0.02 0.00 0.00 57.03 57.00 2qee h ASP 379 Cb 0.14 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2qee h ASP 379 CO -0.20 0.46 -0.18 0.11 -1.72 0.00 0.00 179.24 177.70 2qee h LYS 380 N 0.67 0.74 -0.56 3.56 6.56 -0.66 -1.15 116.57 125.73 2qee h LYS 380 Ca 0.18 -0.33 -0.02 0.00 -1.06 0.00 0.00 60.65 59.42 2qee h LYS 380 Cb -0.04 -0.02 -0.03 0.00 -0.57 0.00 0.00 32.23 31.58 2qee h LYS 380 CO -0.04 0.94 0.27 1.88 -2.06 0.00 0.00 179.45 180.44 2qee h TYR 381 N 0.52 0.80 -0.97 -1.35 0.05 -0.61 -2.81 116.97 112.60 2qee h TYR 381 Ca 0.08 -0.04 -0.00 0.00 0.05 0.00 0.00 58.73 58.82 2qee h TYR 381 Cb 0.72 -0.25 -0.05 0.00 1.01 0.00 0.00 36.73 38.17 2qee h TYR 381 CO 0.06 0.62 0.60 0.22 -1.05 0.00 0.00 178.16 178.61 2qee h ASP 382 N 0.75 1.15 -0.85 3.88 3.58 -0.59 0.11 116.42 124.45 2qee h ASP 382 Ca 0.19 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.59 2qee h ASP 382 Cb 0.12 -0.29 -0.04 0.00 1.72 0.00 0.00 39.33 40.84 2qee h ASP 382 CO -0.02 0.86 0.54 0.44 -2.88 0.00 0.00 179.24 178.19 2qee h ASP 383 N 1.33 0.99 0.64 2.28 3.32 -1.05 0.58 116.42 124.50 2qee h ASP 383 Ca 0.35 -0.04 -0.18 0.00 0.02 0.00 0.00 57.03 57.18 2qee h ASP 383 Cb -0.09 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.20 2qee h ASP 383 CO -0.07 0.73 -0.84 0.16 -1.72 0.00 0.00 179.24 177.50 2qee h ILE 384 N 1.15 1.51 -0.71 0.35 3.07 -1.17 -2.68 117.51 119.02 2qee h ILE 384 Ca 0.31 -2.62 0.08 0.00 1.55 0.00 0.00 64.86 64.17 2qee h ILE 384 Cb -0.11 2.44 -0.06 0.00 -0.27 0.00 0.00 36.82 38.82 2qee h ILE 384 CO -0.06 0.76 0.39 -0.07 -1.05 0.00 0.00 178.15 178.11 2qee h LEU 385 N 0.08 0.55 -1.65 0.16 3.38 -0.38 -1.01 115.31 116.43 2qee h LEU 385 Ca -0.03 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.03 2qee h LEU 385 Cb 1.45 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 42.12 2qee h LEU 385 CO 0.12 0.34 0.31 1.56 0.09 0.00 0.00 178.44 180.86 2qee h GLN 386 N 0.68 0.42 -0.01 1.13 1.08 -0.75 -0.48 115.11 117.18 2qee h GLN 386 Ca 0.33 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.51 2qee h GLN 386 Cb 0.27 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.60 2qee h GLN 386 CO -0.22 0.28 0.00 0.00 -0.95 0.00 0.00 178.83 177.94 2qee n ALA 387 N -2.50 2.64 -0.26 3.87 0.00 -0.66 -4.90 120.51 118.70 2qee n ALA 387 Ca 0.06 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2qee n ALA 387 Cb 0.21 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.27 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 0.99 0.74 3.78 0.00 0.00 -0.19 -5.07 105.19 105.43 2qee n GLY 388 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.29 3.12 -0.37 1.61 -0.11 -0.48 -4.99 118.94 115.43 2qee s TRP 389 Ca 0.00 1.60 -0.13 0.00 1.22 0.00 0.00 56.10 58.79 2qee s TRP 389 Cb 0.00 -3.22 0.01 0.00 -1.50 0.00 0.00 33.47 28.76 2qee s TRP 389 CO 0.00 -0.96 0.24 -1.21 -4.62 0.00 0.00 176.95 170.40 2qee s GLU 390 N -2.57 3.04 -0.15 5.86 2.02 -1.26 -4.30 118.70 121.34 2qee s GLU 390 Ca 0.60 -0.95 -0.11 0.00 0.02 0.00 0.00 54.97 54.53 2qee s GLU 390 Cb -0.24 -3.81 -0.05 0.00 0.10 0.00 0.00 34.13 30.12 2qee s GLU 390 CO 0.30 -0.64 0.22 0.08 0.02 0.00 0.00 175.26 175.24 2qee s VAL 391 N 1.63 5.36 0.27 2.63 1.01 -1.26 -4.98 120.40 125.06 2qee s VAL 391 Ca 0.04 0.39 0.08 0.00 0.00 0.00 0.00 61.98 62.49 2qee s VAL 391 Cb -0.19 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 2qee s VAL 391 CO 0.08 0.48 0.16 0.42 0.00 0.00 0.00 175.10 176.25 2qee s THR 392 N -0.09 4.02 0.38 3.92 -4.23 -1.26 -1.94 115.64 116.45 2qee s THR 392 Ca 0.14 -1.53 0.07 0.00 -1.18 0.00 0.00 61.69 59.19 2qee s THR 392 Cb -0.13 -3.23 0.21 0.00 1.34 0.00 0.00 72.50 70.70 2qee s THR 392 CO 0.03 -0.32 1.97 -0.08 -0.54 0.00 0.00 174.62 175.68 2qee h GLU 393 N 1.54 0.47 -0.59 3.99 4.81 -1.97 -1.49 114.58 121.34 2qee h GLU 393 Ca -0.47 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 58.62 2qee h GLU 393 Cb 1.24 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.51 2qee h GLU 393 CO 0.60 0.42 0.06 0.93 -0.73 0.00 0.00 179.01 180.30 2qee h GLU 394 N 0.47 0.98 -0.51 1.92 4.39 -1.99 -0.23 114.58 119.62 2qee h GLU 394 Ca 0.11 -0.26 -0.09 0.00 0.34 0.00 0.00 59.36 59.46 2qee h GLU 394 Cb 0.15 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 2qee h GLU 394 CO -0.01 0.93 -0.05 0.93 -1.16 0.00 0.00 179.01 179.65 2qee h GLU 395 N 0.92 0.93 -0.61 2.33 5.08 -1.79 -1.26 114.58 120.17 2qee h GLU 395 Ca 0.18 -0.32 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 2qee h GLU 395 Cb 0.45 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 2qee h GLU 395 CO 0.02 0.97 0.38 0.82 -1.00 0.00 0.00 179.01 180.20 2qee h ILE 396 N 0.79 1.17 -0.89 3.13 2.04 -0.96 -0.75 117.51 122.04 2qee h ILE 396 Ca 0.14 -0.37 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 2qee h ILE 396 Cb 0.59 0.32 -0.04 0.00 -0.74 0.00 0.00 36.82 36.95 2qee h ILE 396 CO 0.04 0.18 0.48 0.11 0.00 0.00 0.00 178.15 178.95 2qee h LYS 397 N 0.83 1.24 0.02 2.37 1.57 -0.76 0.28 116.57 122.11 2qee h LYS 397 Ca 0.22 -0.15 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2qee h LYS 397 Cb -0.04 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.03 2qee h LYS 397 CO -0.04 0.91 -0.01 -0.09 -0.57 0.00 0.00 179.45 179.65 2qee h ARG 398 N 1.24 -0.02 -0.65 3.15 2.43 -0.91 -0.61 114.38 119.00 2qee h ARG 398 Ca 0.31 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.45 2qee h ARG 398 Cb 0.04 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.56 2qee h ARG 398 CO -0.05 0.13 0.29 -0.44 -1.51 0.00 0.00 179.97 178.39 2qee h ASP 399 N -0.17 0.88 -0.74 -3.80 3.32 -0.71 -0.89 116.42 114.31 2qee h ASP 399 Ca -0.00 -0.15 -0.05 0.00 0.02 0.00 0.00 57.03 56.84 2qee h ASP 399 Cb 0.16 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 2qee h ASP 399 CO 0.00 0.79 0.25 0.58 -1.72 0.00 0.00 179.24 179.15 2qee h VAL 400 N 0.91 1.26 -0.53 -1.35 2.07 -0.82 -1.17 116.25 116.62 2qee h VAL 400 Ca 0.22 -0.88 -0.08 0.00 0.82 0.00 0.00 66.70 66.79 2qee h VAL 400 Cb 0.17 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 2qee h VAL 400 CO -0.02 0.35 0.02 0.00 0.02 0.00 0.00 177.57 177.94 2qee h ALA 401 N 1.17 1.05 0.03 1.67 0.00 -0.66 -0.87 119.26 121.65 2qee h ALA 401 Ca 0.24 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2qee h ALA 401 Cb 0.28 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2qee h ALA 401 CO -0.01 0.60 -0.02 -0.44 0.00 0.00 0.00 179.25 179.38 2qee h ASP 402 N 0.81 -0.04 -0.55 0.00 3.32 -0.65 0.15 116.42 119.46 2qee h ASP 402 Ca 0.16 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.11 2qee h ASP 402 Cb 0.45 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 2qee h ASP 402 CO 0.02 -0.03 -0.05 -0.07 -1.72 0.00 0.00 179.24 177.40 2qee h LEU 403 N -0.04 1.00 -0.04 1.55 3.38 -0.90 -0.47 115.31 119.79 2qee h LEU 403 Ca -0.00 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.64 2qee h LEU 403 Cb 0.03 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.51 2qee h LEU 403 CO 0.01 1.08 -0.64 0.49 0.09 0.00 0.00 178.44 179.47 2qee n PHE 404 N -4.21 0.00 0.18 1.13 3.72 -0.36 -4.24 117.46 113.69 2qee n PHE 404 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 2qee n PHE 404 Cb 0.36 -0.16 0.00 0.00 -0.94 0.00 0.00 39.48 38.74 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 -1.44 -2.56 0.07 4.37 2.88 -0.43 -1.27 113.62 115.24 2qee n SER 405 Ca 0.05 0.69 -0.02 0.00 -1.33 0.00 0.00 58.87 58.26 2qee n SER 405 Cb 0.34 2.49 0.24 0.00 -0.75 0.00 0.00 64.21 66.52 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 0.32 -0.15 -1.46 3.08 -0.72 -2.32 114.38 113.14 2qee h ARG 406 Ca 0.00 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 59.88 2qee h ARG 406 Cb 0.00 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 2qee h ARG 406 CO 0.00 0.62 -0.10 -0.91 -1.07 0.00 0.00 179.97 178.50 2qee h ASN 407 N 0.28 0.21 0.10 7.04 2.35 -1.30 -0.12 115.58 124.14 2qee h ASN 407 Ca 0.04 -0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2qee h ASN 407 Cb 0.72 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.03 2qee h ASN 407 CO 0.05 0.35 -0.05 0.15 -1.65 0.00 0.00 177.43 176.28 2qee h PHE 408 N 0.22 -0.12 -0.74 1.19 3.57 -1.65 -1.79 116.94 117.62 2qee h PHE 408 Ca 0.05 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.49 2qee h PHE 408 Cb 0.33 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.07 2qee h PHE 408 CO 0.00 0.39 0.26 -1.49 -2.23 0.00 0.00 178.31 175.25 2qee h TRP 409 N -0.78 1.15 -0.47 0.41 4.06 -1.23 -1.28 115.95 117.81 2qee h TRP 409 Ca -0.01 -0.10 0.04 0.00 2.06 0.00 0.00 58.89 60.88 2qee h TRP 409 Cb 0.57 -0.34 -0.04 0.00 -1.00 0.00 0.00 29.16 28.35 2qee h TRP 409 CO 0.11 0.89 0.22 -0.09 -3.56 0.00 0.00 178.44 176.02 2qee h ARG 410 N 1.09 0.43 -0.48 0.49 2.43 -1.07 -0.89 114.38 116.37 2qee h ARG 410 Ca 0.24 -0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 59.26 2qee h ARG 410 Cb 0.26 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 2qee h ARG 410 CO -0.01 0.28 -0.20 0.35 -1.51 0.00 0.00 179.97 178.88 2qee h PHE 411 N 0.44 1.11 -0.00 2.20 3.57 -0.36 -2.58 116.94 121.31 2qee h PHE 411 Ca 0.21 -0.26 0.00 0.00 3.53 0.00 0.00 57.97 61.45 2qee h PHE 411 Cb 0.14 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 38.62 2qee h PHE 411 CO -0.11 1.07 -0.05 1.33 -2.23 0.00 0.00 178.31 178.32 2qee n VAL 412 N -4.11 0.00 -2.23 1.41 0.24 -0.58 -4.91 118.33 108.14 2qee n VAL 412 Ca 0.00 -0.07 -0.01 0.00 -2.04 0.00 0.00 64.34 62.22 2qee n VAL 412 Cb 0.45 -0.14 0.00 0.00 -1.47 0.00 0.00 33.84 32.68 2qee n VAL 412 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2qee n GLY 413 N 1.17 0.53 0.00 7.63 0.00 -0.74 -4.82 105.19 108.96 2qee n GLY 413 Ca 0.18 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.45 2qee n GLY 413 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2qee n ARG 414 N -0.99 0.00 0.00 1.61 1.85 -0.42 -5.04 116.66 113.67 2qee n ARG 414 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.84 2qee n ARG 414 Cb 0.51 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.92 2qee n ARG 414 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 2qee n ASN 415 N 0.00 0.00 0.00 2.89 2.85 -1.26 -4.50 115.26 115.24 2qee n ASN 415 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 2qee n ASN 415 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 2qee n ASN 415 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62