#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hka n ASN 4 N 0.00 1.37 -4.86 4.38 2.85 -1.26 -4.93 115.26 112.82 3hka n ASN 4 Ca 0.00 0.38 -0.21 0.00 -0.11 0.00 0.00 54.58 54.64 3hka n ASN 4 Cb 0.00 -0.72 -0.03 0.00 1.24 0.00 0.00 39.78 40.27 3hka n ASN 4 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 3hka s SER 5 N -5.28 5.21 0.43 1.20 1.04 -1.26 -5.00 113.70 110.04 3hka s SER 5 Ca -0.16 -0.57 0.11 0.00 0.48 0.00 0.00 55.95 55.80 3hka s SER 5 Cb 0.02 -0.84 0.93 0.00 0.10 0.00 0.00 66.02 66.23 3hka s SER 5 CO 0.24 -0.45 2.01 -0.09 0.98 0.00 0.00 173.24 175.93 3hka h ARG 6 N 1.18 0.23 -0.64 4.02 2.43 -1.98 0.04 114.38 119.65 3hka h ARG 6 Ca -0.44 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 58.67 3hka h ARG 6 Cb 1.26 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.74 3hka h ARG 6 CO 0.58 0.27 0.27 0.93 -1.51 0.00 0.00 179.97 180.51 3hka h GLU 7 N 0.22 0.94 -0.34 0.20 3.07 -1.99 0.19 114.58 116.87 3hka h GLU 7 Ca 0.05 -0.16 -0.17 0.00 -0.50 0.00 0.00 59.36 58.58 3hka h GLU 7 Cb 0.19 -0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 27.94 3hka h GLU 7 CO 0.01 0.78 -0.46 0.28 -1.40 0.00 0.00 179.01 178.22 3hka h VAL 8 N 0.89 1.27 0.02 3.13 2.07 -1.71 -2.87 116.25 119.05 3hka h VAL 8 Ca 0.21 -1.63 0.01 0.00 0.82 0.00 0.00 66.70 66.11 3hka h VAL 8 Cb 0.18 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 3hka h VAL 8 CO -0.02 0.54 -0.08 0.25 0.02 0.00 0.00 177.57 178.28 3hka h LEU 9 N 0.72 -0.21 -1.25 2.57 5.85 -0.59 -2.27 115.31 120.13 3hka h LEU 9 Ca 0.04 0.03 0.10 0.00 0.84 0.00 0.00 57.88 58.89 3hka h LEU 9 Cb 1.06 0.09 -0.06 0.00 0.37 0.00 0.00 40.66 42.12 3hka h LEU 9 CO 0.11 -0.11 0.56 0.00 -0.34 0.00 0.00 178.44 178.65 3hka h ALA 10 N 0.82 1.69 -0.28 1.25 0.00 -0.61 -0.21 119.26 121.91 3hka h ALA 10 Ca 0.02 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3hka h ALA 10 Cb 0.17 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3hka h ALA 10 CO -0.06 0.13 0.04 0.93 0.00 0.00 0.00 179.25 180.29 3hka h GLU 11 N 0.83 0.46 -0.20 0.00 4.39 -1.21 -0.76 114.58 118.09 3hka h GLU 11 Ca 0.40 -0.13 -0.16 0.00 0.34 0.00 0.00 59.36 59.82 3hka h GLU 11 Cb 0.44 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 3hka h GLU 11 CO -0.17 0.58 -0.53 0.87 -1.16 0.00 0.00 179.01 178.60 3hka h LYS 12 N 0.28 0.57 0.09 2.33 1.57 -0.86 -2.27 116.57 118.28 3hka h LYS 12 Ca 0.08 -0.35 -0.00 0.00 -1.87 0.00 0.00 60.65 58.51 3hka h LYS 12 Cb 0.34 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.69 3hka h LYS 12 CO 0.01 0.96 -0.04 0.28 -0.57 0.00 0.00 179.45 180.08 3hka h VAL 13 N 0.45 1.12 -0.70 0.50 2.07 -1.02 -1.64 116.25 117.03 3hka h VAL 13 Ca 0.01 -0.79 0.09 0.00 0.82 0.00 0.00 66.70 66.83 3hka h VAL 13 Cb 1.07 1.63 -0.07 0.00 -1.52 0.00 0.00 31.29 32.40 3hka h VAL 13 CO 0.10 0.19 0.35 0.11 0.02 0.00 0.00 177.57 178.35 3hka h LYS 14 N -0.48 0.59 -0.38 1.57 1.57 -1.16 0.19 116.57 118.48 3hka h LYS 14 Ca -0.01 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 3hka h LYS 14 Cb 0.41 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 3hka h LYS 14 CO 0.02 0.39 0.10 -0.91 -0.57 0.00 0.00 179.45 178.49 3hka h ASN 15 N 0.61 0.56 -0.16 0.86 4.21 -1.37 -0.57 115.58 119.72 3hka h ASN 15 Ca 0.34 -0.22 -0.00 0.00 1.21 0.00 0.00 56.30 57.63 3hka h ASN 15 Cb 0.33 -0.15 -0.01 0.00 -1.12 0.00 0.00 38.32 37.38 3hka h ASN 15 CO -0.25 0.63 0.08 0.00 -1.29 0.00 0.00 177.43 176.60 3hka h ALA 16 N 0.95 0.21 -0.26 -0.83 0.00 -0.72 0.63 119.26 119.23 3hka h ALA 16 Ca 0.12 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.99 3hka h ALA 16 Cb 0.28 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3hka h ALA 16 CO -0.00 -0.25 0.12 0.28 0.00 0.00 0.00 179.25 179.40 3hka h VAL 17 N 0.15 0.98 -0.49 0.00 2.07 -0.91 0.60 116.25 118.65 3hka h VAL 17 Ca 0.06 -0.09 -0.06 0.00 0.82 0.00 0.00 66.70 67.42 3hka h VAL 17 Cb 0.08 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 3hka h VAL 17 CO -0.01 0.05 0.04 0.78 0.02 0.00 0.00 177.57 178.45 3hka h ASN 18 N 0.26 0.75 1.54 0.57 -0.26 -0.90 -3.08 115.58 114.45 3hka h ASN 18 Ca 0.11 -0.16 -0.07 0.00 -0.56 0.00 0.00 56.30 55.62 3hka h ASN 18 Cb 0.05 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.10 3hka h ASN 18 CO -0.09 0.79 -0.48 0.78 -1.06 0.00 0.00 177.43 177.38 3hka h ASN 19 N 0.74 0.00 -2.52 5.81 2.35 -0.55 -3.46 115.58 117.95 3hka h ASN 19 Ca 0.15 0.00 -0.54 0.00 -0.55 0.00 0.00 56.30 55.36 3hka h ASN 19 Cb 0.40 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.77 3hka h ASN 19 CO 0.01 0.30 1.15 -1.58 -1.65 0.00 0.00 177.43 175.66 3hka s GLN 20 N -3.08 4.12 0.23 0.81 2.00 0.17 -4.95 119.66 118.97 3hka s GLN 20 Ca 0.04 2.30 -0.30 0.00 -2.00 0.00 0.00 55.36 55.39 3hka s GLN 20 Cb 0.07 -4.06 -0.10 0.00 0.80 0.00 0.00 33.01 29.72 3hka s GLN 20 CO 0.73 -0.94 1.47 -2.14 -0.50 0.00 0.00 175.29 173.91 3hka s PRO 21 N 4.28 4.25 -0.09 1.67 0.02 -1.26 -4.95 135.00 138.91 3hka s PRO 21 Ca 0.79 2.33 -0.12 0.00 0.02 0.00 0.00 61.00 64.03 3hka s PRO 21 Cb -0.36 -3.11 -0.05 0.00 0.02 0.00 0.00 34.50 31.00 3hka s PRO 21 CO 0.34 -0.47 0.27 0.08 -0.33 0.00 0.00 177.00 176.88 3hka s VAL 22 N 0.22 5.29 -0.31 3.83 1.01 0.17 -4.67 120.40 125.94 3hka s VAL 22 Ca 0.62 0.51 -0.10 0.00 0.00 0.00 0.00 61.98 63.01 3hka s VAL 22 Cb -0.43 -3.57 -0.01 0.00 0.00 0.00 0.00 36.38 32.38 3hka s VAL 22 CO 0.41 0.54 0.15 -0.89 0.00 0.00 0.00 175.10 175.31 3hka s THR 23 N -0.58 4.59 -0.69 3.92 2.01 -0.64 -1.12 115.64 123.13 3hka s THR 23 Ca 0.18 -0.43 -0.18 0.00 0.31 0.00 0.00 61.69 61.56 3hka s THR 23 Cb -0.14 -3.34 0.13 0.00 0.01 0.00 0.00 72.50 69.15 3hka s THR 23 CO 0.07 0.06 0.79 -0.62 -0.69 0.00 0.00 174.62 174.23 3hka s ASP 24 N 1.61 6.35 0.00 3.53 -1.08 0.11 -4.71 116.67 122.48 3hka s ASP 24 Ca 0.04 -1.72 0.12 0.00 -0.52 0.00 0.00 52.55 50.47 3hka s ASP 24 Cb -0.17 -2.31 0.73 0.00 -1.46 0.00 0.00 42.92 39.72 3hka s ASP 24 CO 0.06 -1.03 1.28 1.15 0.52 0.00 0.00 175.17 177.15 3hka n MET 25 N 6.03 0.75 -3.35 4.34 0.00 -1.26 -1.25 117.12 122.38 3hka n MET 25 Ca -0.00 0.00 0.02 0.00 0.00 0.00 0.00 57.70 57.72 3hka n MET 25 Cb 0.44 -1.26 -0.02 0.00 0.00 0.00 0.00 33.22 32.38 3hka n MET 25 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 175.97 174.39 3hka s HIS 26 N -2.00 -1.46 0.29 3.17 5.65 -1.26 -4.73 115.29 114.95 3hka s HIS 26 Ca 0.18 1.92 -0.05 0.00 0.25 0.00 0.00 55.06 57.37 3hka s HIS 26 Cb 0.08 0.65 -0.01 0.00 -1.18 0.00 0.00 32.58 32.13 3hka s HIS 26 CO 0.14 -0.77 0.41 0.95 -0.65 0.00 0.00 174.74 174.82 3hka s THR 27 N 2.87 0.00 -0.25 0.89 -4.23 -0.79 -1.03 115.64 113.10 3hka s THR 27 Ca 0.09 -1.64 0.09 0.00 -1.18 0.00 0.00 61.69 59.06 3hka s THR 27 Cb -0.14 -2.49 0.44 0.00 1.34 0.00 0.00 72.50 71.66 3hka s THR 27 CO -0.20 0.00 1.21 1.41 -0.54 0.00 0.00 174.62 176.50 3hka n HIS 28 N -0.47 1.33 -3.66 3.99 8.25 0.82 -2.96 115.22 122.52 3hka n HIS 28 Ca 0.01 -1.85 -0.20 0.00 -0.26 0.00 0.00 57.72 55.42 3hka n HIS 28 Cb 0.62 -0.30 -0.01 0.00 1.12 0.00 0.00 29.99 31.42 3hka n HIS 28 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3hka s LEU 29 N -3.41 4.00 0.06 2.41 1.43 -1.19 -4.62 118.68 117.36 3hka s LEU 29 Ca 0.44 -0.17 0.02 0.00 -1.03 0.00 0.00 54.13 53.39 3hka s LEU 29 Cb 0.39 -2.69 -0.03 0.00 0.03 0.00 0.00 46.19 43.89 3hka s LEU 29 CO -0.02 -0.32 -0.08 -0.36 0.23 0.00 0.00 176.35 175.81 3hka s PHE 30 N -2.14 0.76 0.30 0.29 0.08 -1.26 -4.39 117.98 111.62 3hka s PHE 30 Ca 0.41 -0.62 -0.29 0.00 0.12 0.00 0.00 56.93 56.55 3hka s PHE 30 Cb -0.09 -0.45 -0.12 0.00 -0.57 0.00 0.00 43.02 41.79 3hka s PHE 30 CO 0.30 -0.10 1.40 0.45 -0.10 0.00 0.00 175.22 177.17 3hka n SER 31 N 1.00 3.06 -0.26 1.36 2.88 -1.26 -4.82 113.62 115.57 3hka n SER 31 Ca -0.19 1.18 0.22 0.00 -1.33 0.00 0.00 58.87 58.74 3hka n SER 31 Cb 0.56 -1.50 0.54 0.00 -0.75 0.00 0.00 64.21 63.07 3hka n SER 31 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3hka h PRO 32 N 3.50 0.34 0.00 -1.46 0.13 -1.94 0.25 132.00 132.82 3hka h PRO 32 Ca -0.46 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3hka h PRO 32 Cb 1.27 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3hka h PRO 32 CO 0.70 0.22 0.00 0.27 -0.23 0.00 0.00 178.00 178.96 3hka n ASN 33 N -4.50 0.25 0.05 1.44 6.94 -1.26 -1.39 115.26 116.80 3hka n ASN 33 Ca 0.21 0.58 0.12 0.00 -0.02 0.00 0.00 54.58 55.47 3hka n ASN 33 Cb 0.79 -0.63 0.46 0.00 -2.36 0.00 0.00 39.78 38.05 3hka n ASN 33 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 3hka n PHE 34 N -1.80 0.41 0.00 -2.53 3.01 0.08 -5.01 117.46 111.61 3hka n PHE 34 Ca 0.01 0.14 0.00 0.00 1.01 0.00 0.00 57.45 58.61 3hka n PHE 34 Cb 0.12 -0.72 0.00 0.00 -0.01 0.00 0.00 39.48 38.87 3hka n PHE 34 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3hka n GLY 35 N 0.77 -1.51 0.00 1.37 0.00 -0.48 -4.54 105.19 100.80 3hka n GLY 35 Ca 0.05 -2.06 0.04 0.00 0.00 0.00 0.00 46.02 44.05 3hka n GLY 35 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hka n GLU 36 N 0.00 0.06 0.31 1.61 1.02 -1.26 -2.09 120.64 120.29 3hka n GLU 36 Ca 0.00 0.29 0.20 0.00 -0.02 0.00 0.00 57.16 57.63 3hka n GLU 36 Cb 0.00 -1.50 1.00 0.00 -0.02 0.00 0.00 31.44 30.92 3hka n GLU 36 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 3hka h ILE 37 N 0.00 0.09 -3.68 -3.67 2.10 -1.96 -3.37 117.51 107.02 3hka h ILE 37 Ca 0.00 -0.21 -0.58 0.00 1.08 0.00 0.00 64.86 65.15 3hka h ILE 37 Cb 0.10 1.19 -0.09 0.00 -1.09 0.00 0.00 36.82 36.92 3hka h ILE 37 CO 0.00 0.01 0.72 -0.22 -1.08 0.00 0.00 178.15 177.58 3hka s LEU 38 N -6.36 3.86 0.05 2.19 2.96 -0.89 -4.83 118.68 115.66 3hka s LEU 38 Ca -0.03 0.26 -0.22 0.00 -0.22 0.00 0.00 54.13 53.92 3hka s LEU 38 Cb 0.12 -3.33 -0.06 0.00 0.50 0.00 0.00 46.19 43.41 3hka s LEU 38 CO 0.47 -1.13 0.64 -0.76 -1.32 0.00 0.00 176.35 174.26 3hka s LEU 39 N 4.03 4.49 0.16 -0.68 1.43 -1.26 -4.99 118.68 121.85 3hka s LEU 39 Ca 0.41 1.32 -0.22 0.00 -1.03 0.00 0.00 54.13 54.61 3hka s LEU 39 Cb -0.09 -3.02 0.06 0.00 0.03 0.00 0.00 46.19 43.17 3hka s LEU 39 CO 0.28 0.16 0.57 -1.66 0.23 0.00 0.00 176.35 175.94 3hka s TRP 40 N -0.61 -0.47 0.00 0.29 1.48 -1.26 -0.01 118.94 118.37 3hka s TRP 40 Ca 0.32 0.23 0.00 0.00 -1.06 0.00 0.00 56.10 55.59 3hka s TRP 40 Cb -0.20 0.52 0.00 0.00 -1.16 0.00 0.00 33.47 32.63 3hka s TRP 40 CO 0.20 -0.84 0.00 -0.40 -4.06 0.00 0.00 176.95 171.85 3hka n ASP 41 N -0.36 0.00 -0.26 -2.66 5.68 -1.26 -4.57 116.55 113.12 3hka n ASP 41 Ca -0.16 0.00 0.06 0.00 -0.50 0.00 0.00 54.79 54.19 3hka n ASP 41 Cb 0.65 0.00 0.30 0.00 -1.14 0.00 0.00 41.12 40.92 3hka n ASP 41 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 3hka h ILE 42 N 0.00 1.01 -0.48 2.12 6.09 -1.96 -1.19 117.51 123.11 3hka h ILE 42 Ca 0.00 -0.30 -0.07 0.00 -1.37 0.00 0.00 64.86 63.11 3hka h ILE 42 Cb 0.00 0.05 -0.02 0.00 0.47 0.00 0.00 36.82 37.32 3hka h ILE 42 CO 0.00 0.16 0.00 0.44 -3.07 0.00 0.00 178.15 175.69 3hka h ASP 43 N 0.88 0.76 -0.31 2.19 3.32 -1.95 -0.56 116.42 120.76 3hka h ASP 43 Ca 0.37 -0.18 -0.11 0.00 0.02 0.00 0.00 57.03 57.13 3hka h ASP 43 Cb 0.30 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 3hka h ASP 43 CO -0.14 0.83 -0.23 -0.33 -1.72 0.00 0.00 179.24 177.64 3hka h GLU 44 N 0.74 0.70 -0.30 3.56 4.39 -1.61 -2.11 114.58 119.95 3hka h GLU 44 Ca 0.15 -0.34 0.02 0.00 0.34 0.00 0.00 59.36 59.52 3hka h GLU 44 Cb 0.45 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.07 3hka h GLU 44 CO 0.02 0.95 0.15 -0.07 -1.16 0.00 0.00 179.01 178.90 3hka h LEU 45 N 0.46 0.22 -1.45 1.33 3.38 -0.95 -2.32 115.31 115.98 3hka h LEU 45 Ca 0.06 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 3hka h LEU 45 Cb 0.79 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 3hka h LEU 45 CO 0.06 0.17 -0.28 -0.07 0.09 0.00 0.00 178.44 178.41 3hka h LEU 46 N 0.31 0.00 -2.59 1.67 3.38 -1.06 -2.84 115.31 114.19 3hka h LEU 46 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3hka h LEU 46 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3hka h LEU 46 CO -0.09 0.28 0.00 0.35 0.09 0.00 0.00 178.44 179.07 3hka n THR 47 N -4.04 1.26 -1.68 0.22 -2.24 -0.80 -4.70 114.28 102.31 3hka n THR 47 Ca -0.02 -0.95 -0.43 0.00 -2.27 0.00 0.00 64.05 60.38 3hka n THR 47 Cb 0.34 0.23 -0.01 0.00 -2.10 0.00 0.00 70.33 68.80 3hka n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hka n TYR 48 N 1.16 2.11 0.28 4.78 9.36 -0.91 -4.73 117.16 129.22 3hka n TYR 48 Ca 0.22 0.58 0.18 0.00 3.32 0.00 0.00 57.90 62.20 3hka n TYR 48 Cb 0.68 -2.39 0.96 0.00 -0.63 0.00 0.00 39.34 37.96 3hka n TYR 48 CO 0.00 0.00 0.00 1.12 0.22 0.00 0.00 176.86 178.20 3hka h HIS 49 N 2.44 0.00 -0.76 2.98 2.07 -1.91 -0.29 115.15 119.68 3hka h HIS 49 Ca -0.45 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.07 3hka h HIS 49 Cb 1.29 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 31.24 3hka h HIS 49 CO 0.50 0.00 0.47 1.88 -3.07 0.00 0.00 177.93 177.71 3hka h TYR 50 N 0.00 0.99 0.00 6.12 -1.99 -1.94 -1.75 116.97 118.40 3hka h TYR 50 Ca 0.03 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.72 3hka h TYR 50 Cb 0.36 -0.33 -0.01 0.00 2.00 0.00 0.00 36.73 38.76 3hka h TYR 50 CO 0.00 0.65 -0.22 -0.07 -0.00 0.00 0.00 178.16 178.53 3hka h LEU 51 N 1.03 0.00 -0.34 3.88 3.38 -1.34 -2.67 115.31 119.26 3hka h LEU 51 Ca 0.27 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.11 3hka h LEU 51 Cb -0.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3hka h LEU 51 CO -0.05 0.22 -0.29 0.58 0.09 0.00 0.00 178.44 178.98 3hka h VAL 52 N 0.00 1.29 -0.20 1.22 2.07 -1.12 0.63 116.25 120.14 3hka h VAL 52 Ca -0.00 -1.45 -0.01 0.00 0.82 0.00 0.00 66.70 66.05 3hka h VAL 52 Cb 1.05 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 32.27 3hka h VAL 52 CO 0.03 0.48 0.09 0.00 0.02 0.00 0.00 177.57 178.18 3hka h ALA 53 N 0.75 0.26 -0.53 1.67 0.00 -1.26 -2.48 119.26 117.67 3hka h ALA 53 Ca 0.06 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3hka h ALA 53 Cb 0.87 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 3hka h ALA 53 CO 0.07 -0.16 0.16 0.93 0.00 0.00 0.00 179.25 180.26 3hka h GLU 54 N 0.18 0.83 -0.05 0.00 5.08 -1.38 -2.89 114.58 116.34 3hka h GLU 54 Ca 0.07 -0.18 -0.06 0.00 -1.00 0.00 0.00 59.36 58.19 3hka h GLU 54 Cb 0.15 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 3hka h GLU 54 CO -0.01 0.77 -0.24 -0.24 -1.00 0.00 0.00 179.01 178.29 3hka h VAL 55 N 0.73 1.20 0.00 3.13 3.04 -0.82 -2.22 116.25 121.32 3hka h VAL 55 Ca 0.17 -0.93 0.00 0.00 -1.01 0.00 0.00 66.70 64.93 3hka h VAL 55 Cb 0.29 1.43 0.00 0.00 -2.01 0.00 0.00 31.29 30.99 3hka h VAL 55 CO -0.00 0.27 0.00 0.23 -1.01 0.00 0.00 177.57 177.06 3hka n MET 56 N -4.22 0.09 0.09 4.17 2.81 -0.94 -1.39 117.12 117.74 3hka n MET 56 Ca -0.02 0.34 0.13 0.00 -1.81 0.00 0.00 57.70 56.34 3hka n MET 56 Cb 0.32 -1.67 0.31 0.00 -0.71 0.00 0.00 33.22 31.46 3hka n MET 56 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3hka h ARG 57 N 0.00 0.00 0.00 0.03 3.08 -1.42 -3.40 114.38 112.67 3hka h ARG 57 Ca 0.00 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.89 3hka h ARG 57 Cb 0.29 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.31 3hka h ARG 57 CO 0.00 0.00 -1.55 0.91 -1.07 0.00 0.00 179.97 178.26 3hka n TRP 58 N -2.24 0.00 -2.02 3.04 7.02 -0.63 -5.08 117.44 117.53 3hka n TRP 58 Ca 0.05 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 56.18 3hka n TRP 58 Cb 0.44 -0.36 0.03 0.00 -2.42 0.00 0.00 31.31 28.99 3hka n TRP 58 CO 0.00 0.00 0.00 -0.08 -2.02 0.00 0.00 177.69 175.59 3hka s THR 59 N -2.19 3.03 -0.95 -0.99 -1.32 -0.48 -4.96 115.64 107.78 3hka s THR 59 Ca -0.14 0.58 0.25 0.00 -1.21 0.00 0.00 61.69 61.18 3hka s THR 59 Cb 0.05 -3.18 0.01 0.00 -1.51 0.00 0.00 72.50 67.88 3hka s THR 59 CO 0.19 -0.19 1.41 0.47 -2.21 0.00 0.00 174.62 174.29 3hka n ASP 60 N -1.75 0.51 -4.71 8.08 8.00 -1.26 -4.86 116.55 120.55 3hka n ASP 60 Ca 0.12 -0.18 -0.42 0.00 0.71 0.00 0.00 54.79 55.02 3hka n ASP 60 Cb 0.51 0.23 -0.03 0.00 -0.02 0.00 0.00 41.12 41.81 3hka n ASP 60 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3hka s VAL 61 N -3.02 3.04 0.75 2.53 1.01 -1.26 -4.97 120.40 118.47 3hka s VAL 61 Ca 0.10 0.71 -0.12 0.00 0.00 0.00 0.00 61.98 62.67 3hka s VAL 61 Cb 0.17 -3.46 0.05 0.00 0.00 0.00 0.00 36.38 33.14 3hka s VAL 61 CO 0.70 0.05 1.11 -0.94 0.00 0.00 0.00 175.10 176.02 3hka s SER 62 N 1.29 4.51 0.34 3.32 1.04 -1.26 -4.84 113.70 118.10 3hka s SER 62 Ca 0.68 1.95 0.03 0.00 0.48 0.00 0.00 55.95 59.09 3hka s SER 62 Cb -0.39 -2.54 0.60 0.00 0.10 0.00 0.00 66.02 63.78 3hka s SER 62 CO 0.31 -2.04 1.92 -0.29 0.98 0.00 0.00 173.24 174.12 3hka h ILE 63 N -0.78 1.18 -0.10 -1.02 6.09 -1.98 -1.07 117.51 119.83 3hka h ILE 63 Ca -0.45 -0.59 -0.01 0.00 -1.37 0.00 0.00 64.86 62.44 3hka h ILE 63 Cb 1.24 0.65 -0.00 0.00 0.47 0.00 0.00 36.82 39.18 3hka h ILE 63 CO 0.51 0.23 0.01 -0.33 -3.07 0.00 0.00 178.15 175.50 3hka h GLU 64 N 0.67 0.17 -0.83 2.19 3.07 -1.94 -1.80 114.58 116.12 3hka h GLU 64 Ca 0.16 -0.05 0.04 0.00 -0.50 0.00 0.00 59.36 59.01 3hka h GLU 64 Cb 0.17 -0.02 -0.05 0.00 -0.84 0.00 0.00 28.75 28.01 3hka h GLU 64 CO -0.01 0.39 0.54 0.00 -1.40 0.00 0.00 179.01 178.53 3hka h ALA 65 N 0.78 1.52 -0.13 3.43 0.00 -1.85 -1.34 119.26 121.67 3hka h ALA 65 Ca 0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3hka h ALA 65 Cb 0.30 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3hka h ALA 65 CO 0.00 0.39 0.05 0.35 0.00 0.00 0.00 179.25 180.04 3hka h PHE 66 N 1.00 0.20 0.00 0.00 3.57 -0.89 -2.19 116.94 118.62 3hka h PHE 66 Ca 0.34 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.81 3hka h PHE 66 Cb 0.09 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 38.76 3hka h PHE 66 CO -0.00 0.28 -0.04 -1.49 -2.23 0.00 0.00 178.31 174.83 3hka h TRP 67 N 0.06 0.00 0.00 0.41 -0.00 -0.91 -1.96 115.95 113.56 3hka h TRP 67 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.93 3hka h TRP 67 Cb 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.32 3hka h TRP 67 CO -0.02 0.04 -0.10 0.00 -0.00 0.00 0.00 178.44 178.36 3hka h ALA 68 N 1.96 0.95 -2.34 1.49 0.00 -0.80 -3.46 119.26 117.07 3hka h ALA 68 Ca -0.00 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.40 3hka h ALA 68 Cb 0.41 0.00 0.11 0.00 0.00 0.00 0.00 17.79 18.31 3hka h ALA 68 CO 0.00 0.00 0.35 -1.64 0.00 0.00 0.00 179.25 177.96 3hka s MET 69 N -3.22 2.63 0.74 0.00 -1.94 -0.74 -5.04 119.30 111.74 3hka s MET 69 Ca 0.06 1.11 -0.11 0.00 -1.71 0.00 0.00 55.69 55.04 3hka s MET 69 Cb 0.06 -1.95 0.04 0.00 2.01 0.00 0.00 34.83 34.99 3hka s MET 69 CO 0.68 -1.35 1.09 -1.54 -0.01 0.00 0.00 175.02 173.90 3hka s SER 70 N -3.42 5.04 0.21 3.03 1.04 -1.26 -4.78 113.70 113.56 3hka s SER 70 Ca 0.61 1.25 -0.09 0.00 0.48 0.00 0.00 55.95 58.20 3hka s SER 70 Cb -0.16 -2.03 0.31 0.00 0.10 0.00 0.00 66.02 64.24 3hka s SER 70 CO 0.53 -1.61 1.75 0.50 0.98 0.00 0.00 173.24 175.38 3hka h LYS 71 N -0.84 0.43 -0.48 4.02 1.63 -1.96 -0.06 116.57 119.30 3hka h LYS 71 Ca -0.46 -0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 59.30 3hka h LYS 71 Cb 1.26 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 32.77 3hka h LYS 71 CO 0.61 0.28 0.22 -0.09 -3.45 0.00 0.00 179.45 177.03 3hka h ARG 72 N 0.44 0.70 -0.62 1.90 2.43 -1.94 -1.61 114.38 115.68 3hka h ARG 72 Ca 0.32 -0.11 -0.06 0.00 -0.81 0.00 0.00 59.98 59.33 3hka h ARG 72 Cb 0.40 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.80 3hka h ARG 72 CO -0.31 0.59 0.15 0.93 -1.51 0.00 0.00 179.97 179.82 3hka h GLU 73 N 0.63 1.00 -0.40 0.20 5.08 -1.73 -0.05 114.58 119.32 3hka h GLU 73 Ca 0.16 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 3hka h GLU 73 Cb 0.13 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3hka h GLU 73 CO -0.02 0.91 0.22 1.96 -1.00 0.00 0.00 179.01 181.08 3hka h GLN 74 N 0.91 0.55 -0.56 2.33 4.20 -0.91 -1.06 115.11 120.58 3hka h GLN 74 Ca 0.20 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.79 3hka h GLN 74 Cb 0.36 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.00 3hka h GLN 74 CO 0.00 0.44 0.15 0.00 -0.67 0.00 0.00 178.83 178.75 3hka h ALA 75 N 1.08 1.21 -0.46 3.87 0.00 -0.99 -0.92 119.26 123.05 3hka h ALA 75 Ca 0.14 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 3hka h ALA 75 Cb 0.04 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3hka h ALA 75 CO -0.02 0.55 0.02 -0.44 0.00 0.00 0.00 179.25 179.35 3hka h ASP 76 N 0.83 0.78 0.16 0.00 3.32 -0.65 -1.49 116.42 119.36 3hka h ASP 76 Ca 0.18 -0.30 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 3hka h ASP 76 Cb 0.28 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 3hka h ASP 76 CO -0.00 0.88 -0.09 0.25 -1.72 0.00 0.00 179.24 178.55 3hka h LEU 77 N 0.65 -0.22 -0.71 1.55 5.85 -0.76 -1.75 115.31 119.92 3hka h LEU 77 Ca 0.13 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.89 3hka h LEU 77 Cb 0.47 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.52 3hka h LEU 77 CO 0.02 -0.15 0.46 0.40 -0.34 0.00 0.00 178.44 178.82 3hka h ILE 78 N -0.24 1.13 -0.19 4.05 2.04 -1.13 0.26 117.51 123.43 3hka h ILE 78 Ca -0.02 -0.31 0.02 0.00 1.00 0.00 0.00 64.86 65.55 3hka h ILE 78 Cb 0.20 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.40 3hka h ILE 78 CO 0.02 0.16 0.07 -0.25 0.00 0.00 0.00 178.15 178.16 3hka h TRP 79 N 0.90 0.12 -0.24 1.37 2.91 -1.10 0.04 115.95 119.96 3hka h TRP 79 Ca 0.28 0.01 -0.04 0.00 1.13 0.00 0.00 58.89 60.27 3hka h TRP 79 Cb -0.03 -0.03 -0.01 0.00 -0.51 0.00 0.00 29.16 28.59 3hka h TRP 79 CO -0.03 0.06 -0.01 1.49 -1.03 0.00 0.00 178.44 178.92 3hka h GLU 80 N 0.16 0.43 -0.33 2.65 4.57 -0.98 -0.51 114.58 120.57 3hka h GLU 80 Ca 0.08 -0.14 -0.14 0.00 -1.18 0.00 0.00 59.36 57.98 3hka h GLU 80 Cb 0.04 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 3hka h GLU 80 CO -0.08 0.61 -0.33 0.93 -1.18 0.00 0.00 179.01 178.96 3hka h GLU 81 N 0.20 0.81 0.00 1.92 4.39 -0.85 0.23 114.58 121.27 3hka h GLU 81 Ca 0.07 -0.43 0.00 0.00 0.34 0.00 0.00 59.36 59.34 3hka h GLU 81 Cb 0.42 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 3hka h GLU 81 CO 0.01 1.06 -1.31 1.28 -1.16 0.00 0.00 179.01 178.90 3hka n LEU 82 N -4.17 0.52 -0.04 1.33 4.77 -0.01 -3.94 117.00 115.47 3hka n LEU 82 Ca -0.03 -0.29 -0.05 0.00 -0.03 0.00 0.00 56.01 55.61 3hka n LEU 82 Cb 0.50 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.55 3hka n LEU 82 CO 0.47 0.13 -0.75 0.49 -1.33 0.00 0.00 177.39 176.40 3hka n PHE 83 N -1.75 0.00 -0.12 -1.77 3.72 -0.24 -3.11 117.46 114.20 3hka n PHE 83 Ca 0.01 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.15 3hka n PHE 83 Cb 0.38 -0.32 -0.11 0.00 -0.94 0.00 0.00 39.48 38.49 3hka n PHE 83 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 3hka n ILE 84 N -2.51 1.55 0.26 4.37 2.08 -0.94 -4.38 119.36 119.78 3hka n ILE 84 Ca -0.13 -0.33 0.15 0.00 0.56 0.00 0.00 62.75 63.00 3hka n ILE 84 Cb 0.68 -1.86 0.54 0.00 -0.75 0.00 0.00 39.64 38.25 3hka n ILE 84 CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 3hka h LYS 85 N -0.80 0.00 -3.55 0.38 1.57 -0.72 -3.44 116.57 110.01 3hka h LYS 85 Ca -0.57 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.10 3hka h LYS 85 Cb 1.60 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 33.74 3hka h LYS 85 CO -0.29 0.04 -0.38 1.03 -0.57 0.00 0.00 179.45 179.29 3hka s ARG 86 N -3.56 0.71 0.26 3.15 3.00 -1.25 -5.05 118.95 116.21 3hka s ARG 86 Ca 0.02 -0.64 -0.29 0.00 0.00 0.00 0.00 55.73 54.82 3hka s ARG 86 Cb 0.08 0.30 -0.09 0.00 0.00 0.00 0.00 34.95 35.24 3hka s ARG 86 CO 0.59 -0.21 1.19 -1.12 0.00 0.00 0.00 175.30 175.74 3hka s SER 87 N -2.13 7.08 -1.24 0.23 0.01 -1.26 -3.55 113.70 112.84 3hka s SER 87 Ca -0.05 2.37 -0.14 0.00 1.31 0.00 0.00 55.95 59.44 3hka s SER 87 Cb -0.01 -2.63 -0.05 0.00 0.21 0.00 0.00 66.02 63.55 3hka s SER 87 CO -0.04 -0.32 2.29 -0.81 0.41 0.00 0.00 173.24 174.77 3hka n PRO 88 N 1.55 2.58 0.08 12.44 -0.04 -1.18 -4.63 135.00 145.81 3hka n PRO 88 Ca 0.01 -2.16 0.12 0.00 -0.04 0.00 0.00 63.50 61.43 3hka n PRO 88 Cb 0.44 -2.97 0.11 0.00 -0.04 0.00 0.00 33.50 31.04 3hka n PRO 88 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 3hka h VAL 89 N 3.82 0.00 -4.19 0.52 -1.51 -1.91 -3.29 116.25 109.70 3hka h VAL 89 Ca 0.59 -0.69 -0.53 0.00 -1.23 0.00 0.00 66.70 64.83 3hka h VAL 89 Cb 0.50 1.26 0.16 0.00 -2.13 0.00 0.00 31.29 31.08 3hka h VAL 89 CO 1.82 0.00 0.37 -0.94 -1.23 0.00 0.00 177.57 177.59 3hka s SER 90 N -4.72 4.00 0.21 4.19 1.04 -1.26 -4.72 113.70 112.44 3hka s SER 90 Ca 0.04 2.33 -0.09 0.00 0.48 0.00 0.00 55.95 58.71 3hka s SER 90 Cb 0.12 -2.59 0.28 0.00 0.10 0.00 0.00 66.02 63.93 3hka s SER 90 CO 0.74 -2.39 1.76 -0.08 0.98 0.00 0.00 173.24 174.25 3hka h GLU 91 N -0.54 0.48 -0.65 4.02 4.57 -1.97 0.45 114.58 120.95 3hka h GLU 91 Ca -0.47 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 57.64 3hka h GLU 91 Cb 1.29 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 29.75 3hka h GLU 91 CO 0.48 0.32 0.26 0.00 -1.18 0.00 0.00 179.01 178.89 3hka h ALA 92 N 1.40 0.84 -0.36 2.92 0.00 -1.95 -0.27 119.26 121.84 3hka h ALA 92 Ca 0.31 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 3hka h ALA 92 Cb 0.33 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3hka h ALA 92 CO -0.27 0.46 -0.27 0.00 0.00 0.00 0.00 179.25 179.17 3hka h ARG 94 N 0.60 0.85 -0.84 0.00 2.43 -0.72 -2.00 114.38 114.70 3hka h ARG 94 Ca 0.07 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 3hka h ARG 94 Cb 0.84 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 30.16 3hka h ARG 94 CO 0.07 0.56 0.43 0.78 -1.51 0.00 0.00 179.97 180.30 3hka h GLY 95 N 0.87 1.27 1.01 2.80 0.00 -0.72 -1.48 103.07 106.82 3hka h GLY 95 Ca 0.26 -0.61 0.01 0.00 0.00 0.00 0.00 47.33 46.99 3hka h GLY 95 CO -0.06 0.58 0.47 -2.08 0.00 0.00 0.00 176.54 175.44 3hka h VAL 96 N 1.18 1.19 -0.41 4.60 2.07 -1.10 -1.69 116.25 122.09 3hka h VAL 96 Ca 0.29 -0.35 -0.05 0.00 0.82 0.00 0.00 66.70 67.42 3hka h VAL 96 Cb 0.08 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 29.98 3hka h VAL 96 CO -0.04 0.18 0.07 -0.07 0.02 0.00 0.00 177.57 177.73 3hka h LEU 97 N 0.96 0.64 -1.26 2.57 3.38 -1.28 -2.12 115.31 118.20 3hka h LEU 97 Ca 0.26 -0.26 0.04 0.00 0.09 0.00 0.00 57.88 58.01 3hka h LEU 97 Cb -0.10 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.43 3hka h LEU 97 CO -0.06 0.73 0.52 0.74 0.09 0.00 0.00 178.44 180.46 3hka h THR 98 N 0.52 1.11 -0.11 0.22 2.02 -0.94 -0.35 112.91 115.38 3hka h THR 98 Ca 0.12 -0.33 -0.02 0.00 0.77 0.00 0.00 66.41 66.96 3hka h THR 98 Cb 0.36 0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 66.85 3hka h THR 98 CO 0.01 0.17 0.01 0.00 0.37 0.00 0.00 175.52 176.08 3hka h LEU 100 N -0.06 -0.34 -0.54 0.00 3.38 -0.69 -1.72 115.31 115.35 3hka h LEU 100 Ca 0.03 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 3hka h LEU 100 Cb 0.32 0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 3hka h LEU 100 CO 0.00 -0.13 0.32 -0.61 0.09 0.00 0.00 178.44 178.11 3hka h GLN 101 N -0.06 0.73 0.00 1.13 4.15 -1.04 -1.49 115.11 118.53 3hka h GLN 101 Ca 0.12 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 59.46 3hka h GLN 101 Cb 0.25 -0.15 -0.00 0.00 0.21 0.00 0.00 27.48 27.78 3hka h GLN 101 CO -0.28 0.54 -0.07 0.78 -1.93 0.00 0.00 178.83 177.88 3hka h GLY 102 N 0.72 0.00 0.62 2.39 0.00 -0.73 -1.23 103.07 104.84 3hka h GLY 102 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 3hka h GLY 102 CO -0.04 0.00 -0.02 1.04 0.00 0.00 0.00 176.54 177.53 3hka n LEU 103 N -4.35 0.47 0.00 3.11 4.77 -0.69 -4.89 117.00 115.42 3hka n LEU 103 Ca -0.03 -0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 3hka n LEU 103 Cb 0.15 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 3hka n LEU 103 CO 0.34 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 3hka n GLY 104 N 1.10 0.66 3.84 -0.72 0.00 -0.46 -5.07 105.19 104.54 3hka n GLY 104 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 3hka n GLY 104 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hka s LEU 105 N 0.00 2.42 -0.27 0.99 1.43 -0.60 -4.99 118.68 117.67 3hka s LEU 105 Ca 0.00 0.99 0.03 0.00 -1.03 0.00 0.00 54.13 54.12 3hka s LEU 105 Cb 0.00 -3.50 0.07 0.00 0.03 0.00 0.00 46.19 42.78 3hka s LEU 105 CO 0.00 -2.04 -0.08 -0.62 0.23 0.00 0.00 176.35 173.84 3hka s ASP 106 N -4.24 4.39 0.62 2.29 2.15 -1.26 -4.04 116.67 116.58 3hka s ASP 106 Ca 0.62 -1.46 0.39 0.00 0.43 0.00 0.00 52.55 52.53 3hka s ASP 106 Cb -0.13 -1.50 2.00 0.00 -0.30 0.00 0.00 42.92 43.00 3hka s ASP 106 CO 0.52 -0.22 2.23 -0.65 -0.17 0.00 0.00 175.17 176.87 3hka h PRO 107 N 7.78 0.00 -0.12 4.34 0.11 -1.91 -2.83 132.00 139.37 3hka h PRO 107 Ca -0.17 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.93 3hka h PRO 107 Cb 1.04 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 3hka h PRO 107 CO 0.46 0.01 0.02 0.00 -0.21 0.00 0.00 178.00 178.28 3hka h ALA 108 N 1.99 1.82 0.00 -0.75 0.00 -2.01 -2.44 119.26 117.87 3hka h ALA 108 Ca -0.00 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 3hka h ALA 108 Cb 0.18 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3hka h ALA 108 CO 0.00 0.14 -0.42 1.79 0.00 0.00 0.00 179.25 180.76 3hka h THR 109 N 0.16 0.67 -3.30 0.00 1.35 -1.95 -3.47 112.91 106.37 3hka h THR 109 Ca 0.04 -1.95 -0.33 0.00 -0.55 0.00 0.00 66.41 63.62 3hka h THR 109 Cb 0.08 2.32 -0.02 0.00 -1.73 0.00 0.00 68.15 68.80 3hka h THR 109 CO -0.00 0.38 -0.42 0.54 -0.25 0.00 0.00 175.52 175.77 3hka n ARG 110 N -3.19 -1.93 -2.97 4.72 1.74 -0.92 -4.88 116.66 109.24 3hka n ARG 110 Ca 0.02 0.82 -0.44 0.00 -0.77 0.00 0.00 57.85 57.48 3hka n ARG 110 Cb 0.69 -5.43 -0.01 0.00 -1.02 0.00 0.00 32.46 26.69 3hka n ARG 110 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3hka s ASP 111 N -2.06 7.00 0.35 0.55 -1.08 -1.26 -4.85 116.67 115.31 3hka s ASP 111 Ca 0.00 -2.85 0.06 0.00 -0.52 0.00 0.00 52.55 49.24 3hka s ASP 111 Cb 0.00 -2.39 0.72 0.00 -1.46 0.00 0.00 42.92 39.79 3hka s ASP 111 CO 0.00 -0.78 1.92 0.25 0.52 0.00 0.00 175.17 177.09 3hka h LEU 112 N 9.64 0.71 -0.95 -1.34 5.85 -1.98 -1.47 115.31 125.76 3hka h LEU 112 Ca 0.28 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.97 3hka h LEU 112 Cb 0.90 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.77 3hka h LEU 112 CO 1.20 0.43 0.28 1.56 -0.34 0.00 0.00 178.44 181.56 3hka h GLN 113 N 0.79 1.04 -0.20 1.25 1.08 -2.00 -2.02 115.11 115.04 3hka h GLN 113 Ca 0.37 -0.18 -0.17 0.00 -1.45 0.00 0.00 58.65 57.22 3hka h GLN 113 Cb 0.38 -0.17 -0.00 0.00 -0.05 0.00 0.00 27.48 27.64 3hka h GLN 113 CO -0.14 0.85 -0.55 0.28 -0.95 0.00 0.00 178.83 178.31 3hka h VAL 114 N 1.01 1.31 -0.75 -0.54 2.07 -1.71 -3.03 116.25 114.62 3hka h VAL 114 Ca 0.24 -1.79 -0.03 0.00 0.82 0.00 0.00 66.70 65.93 3hka h VAL 114 Cb 0.20 1.75 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 3hka h VAL 114 CO -0.02 0.56 0.36 1.88 0.02 0.00 0.00 177.57 180.37 3hka h TYR 115 N 0.47 1.07 -0.10 1.57 0.05 -1.07 -2.16 116.97 116.81 3hka h TYR 115 Ca 0.01 -0.05 0.01 0.00 0.05 0.00 0.00 58.73 58.75 3hka h TYR 115 Cb 1.11 -0.33 -0.00 0.00 1.01 0.00 0.00 36.73 38.51 3hka h TYR 115 CO 0.05 0.79 0.07 0.00 -1.05 0.00 0.00 178.16 178.01 3hka h ARG 116 N 1.05 0.07 -0.52 4.88 3.08 -1.28 -2.24 114.38 119.42 3hka h ARG 116 Ca 0.26 -0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.24 3hka h ARG 116 Cb 0.11 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 3hka h ARG 116 CO -0.03 0.05 0.06 0.93 -1.07 0.00 0.00 179.97 179.90 3hka h GLU 117 N 0.07 0.83 -0.91 0.04 5.08 -1.28 -2.49 114.58 115.93 3hka h GLU 117 Ca 0.04 -0.20 0.12 0.00 -1.00 0.00 0.00 59.36 58.32 3hka h GLU 117 Cb 0.07 -0.11 -0.07 0.00 0.50 0.00 0.00 28.75 29.14 3hka h GLU 117 CO -0.01 0.80 0.58 -0.92 -1.00 0.00 0.00 179.01 178.46 3hka h TYR 118 N 0.79 0.93 0.00 4.33 3.20 -1.40 -2.71 116.97 122.10 3hka h TYR 118 Ca 0.16 0.03 -0.20 0.00 3.14 0.00 0.00 58.73 61.86 3hka h TYR 118 Cb 0.39 -0.29 -0.03 0.00 1.54 0.00 0.00 36.73 38.33 3hka h TYR 118 CO 0.02 0.38 -1.22 0.74 -1.64 0.00 0.00 178.16 176.44 3hka h PHE 119 N 0.81 0.00 0.00 -3.82 0.04 -1.58 -3.34 116.94 109.05 3hka h PHE 119 Ca 0.44 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.21 3hka h PHE 119 Cb 0.56 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.71 3hka h PHE 119 CO -0.00 0.78 0.00 0.00 -0.60 0.00 0.00 178.31 178.48 3hka h ALA 120 N 1.22 1.00 -2.64 2.45 0.00 -1.11 -3.28 119.26 116.90 3hka h ALA 120 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3hka h ALA 120 Cb 1.71 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.50 3hka h ALA 120 CO 0.08 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.96 3hka n LYS 121 N -3.06 0.00 -0.69 0.00 5.02 -1.24 -5.01 118.16 113.18 3hka n LYS 121 Ca -0.03 0.06 -0.24 0.00 -2.02 0.00 0.00 58.31 56.08 3hka n LYS 121 Cb 0.09 -0.54 0.02 0.00 -0.02 0.00 0.00 35.03 34.58 3hka n LYS 121 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3hka n LYS 122 N -0.71 0.00 -3.78 1.97 5.02 -1.24 -5.04 118.16 114.39 3hka n LYS 122 Ca 0.00 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.08 3hka n LYS 122 Cb 0.00 -0.67 -0.04 0.00 -0.02 0.00 0.00 35.03 34.30 3hka n LYS 122 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3hka s THR 123 N -1.34 3.37 0.16 -0.18 -4.23 -1.26 -4.97 115.64 107.18 3hka s THR 123 Ca 0.28 -1.38 -0.16 0.00 -1.18 0.00 0.00 61.69 59.26 3hka s THR 123 Cb -0.15 -3.15 0.02 0.00 1.34 0.00 0.00 72.50 70.57 3hka s THR 123 CO 0.54 -0.15 1.76 0.28 -0.54 0.00 0.00 174.62 176.51 3hka h SER 124 N 1.22 0.17 -0.59 3.99 0.02 -1.97 -1.46 113.55 114.94 3hka h SER 124 Ca -0.44 0.03 0.06 0.00 -0.84 0.00 0.00 61.79 60.61 3hka h SER 124 Cb 1.26 0.01 -0.06 0.00 0.14 0.00 0.00 62.40 63.75 3hka h SER 124 CO 0.58 0.14 0.29 -0.33 -1.14 0.00 0.00 176.83 176.37 3hka h GLU 125 N 0.31 0.53 -0.25 3.45 3.07 -1.96 -0.09 114.58 119.64 3hka h GLU 125 Ca 0.16 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 58.96 3hka h GLU 125 Cb 0.12 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 27.91 3hka h GLU 125 CO -0.15 0.35 0.04 0.93 -1.40 0.00 0.00 179.01 178.77 3hka h GLU 126 N 0.54 0.41 -0.25 2.33 5.08 -1.86 -1.57 114.58 119.27 3hka h GLU 126 Ca 0.27 -0.11 -0.05 0.00 -1.00 0.00 0.00 59.36 58.47 3hka h GLU 126 Cb 0.22 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 3hka h GLU 126 CO -0.20 0.54 -0.07 0.37 -1.00 0.00 0.00 179.01 178.65 3hka h GLN 127 N 0.21 0.39 -0.20 2.33 5.75 -0.94 0.62 115.11 123.27 3hka h GLN 127 Ca 0.07 -0.09 -0.02 0.00 -0.15 0.00 0.00 58.65 58.46 3hka h GLN 127 Cb 0.34 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.82 3hka h GLN 127 CO 0.01 0.48 0.03 0.28 -2.65 0.00 0.00 178.83 176.98 3hka h VAL 128 N 0.37 1.23 -0.43 2.39 2.07 -0.82 0.72 116.25 121.76 3hka h VAL 128 Ca 0.08 -0.74 0.02 0.00 0.82 0.00 0.00 66.70 66.87 3hka h VAL 128 Cb 0.37 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 3hka h VAL 128 CO 0.02 0.23 0.26 0.44 0.02 0.00 0.00 177.57 178.54 3hka h ASP 129 N 0.14 0.42 0.61 0.57 3.32 -0.63 -0.35 116.42 120.50 3hka h ASP 129 Ca 0.06 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.09 3hka h ASP 129 Cb 0.32 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.78 3hka h ASP 129 CO 0.00 0.30 -0.33 0.74 -1.72 0.00 0.00 179.24 178.24 3hka h THR 130 N 0.52 0.33 -0.10 0.35 2.02 -0.73 -2.38 112.91 112.92 3hka h THR 130 Ca 0.17 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.36 3hka h THR 130 Cb 0.00 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 66.73 3hka h THR 130 CO -0.08 0.00 0.05 0.58 0.37 0.00 0.00 175.52 176.44 3hka h VAL 131 N -0.87 0.99 -0.17 3.16 2.07 -0.73 -0.96 116.25 119.74 3hka h VAL 131 Ca -0.08 -0.04 0.01 0.00 0.82 0.00 0.00 66.70 67.41 3hka h VAL 131 Cb 0.69 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 3hka h VAL 131 CO 0.11 0.02 0.12 -0.07 0.02 0.00 0.00 177.57 177.77 3hka h LEU 132 N 0.10 0.17 -0.05 2.57 3.38 -1.09 0.11 115.31 120.51 3hka h LEU 132 Ca 0.04 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 3hka h LEU 132 Cb 0.01 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 40.72 3hka h LEU 132 CO -0.03 0.12 -0.36 -0.61 0.09 0.00 0.00 178.44 177.65 3hka h GLN 133 N 0.20 0.33 -0.32 1.13 -0.00 -1.03 -1.08 115.11 114.34 3hka h GLN 133 Ca 0.07 -0.29 -0.01 0.00 -0.00 0.00 0.00 58.65 58.42 3hka h GLN 133 Cb 0.02 0.07 -0.01 0.00 0.00 0.00 0.00 27.48 27.55 3hka h GLN 133 CO -0.01 0.95 0.16 -0.07 0.00 0.00 0.00 178.83 179.86 3hka h LEU 134 N -0.20 0.41 -0.02 -2.39 3.38 -0.51 -2.44 115.31 113.55 3hka h LEU 134 Ca -0.03 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3hka h LEU 134 Cb 1.04 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.68 3hka h LEU 134 CO 0.07 0.40 -0.03 0.00 0.09 0.00 0.00 178.44 178.97 3hka n ALA 135 N -2.24 2.51 -3.73 1.53 0.00 0.32 -4.93 120.51 113.96 3hka n ALA 135 Ca -0.01 -0.15 -0.24 0.00 0.00 0.00 0.00 53.44 53.04 3hka n ALA 135 Cb 0.09 -1.45 0.04 0.00 0.00 0.00 0.00 19.45 18.13 3hka n ALA 135 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3hka n ASN 136 N -1.32 -2.67 -4.48 0.00 5.15 -0.53 -4.81 115.26 106.60 3hka n ASN 136 Ca 0.12 -0.77 -0.38 0.00 -0.60 0.00 0.00 54.58 52.95 3hka n ASN 136 Cb 0.28 -4.16 -0.12 0.00 -0.53 0.00 0.00 39.78 35.25 3hka n ASN 136 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3hka s VAL 137 N -3.51 4.68 -0.04 3.44 1.01 -0.53 -0.66 120.40 124.79 3hka s VAL 137 Ca 0.24 -0.16 0.12 0.00 0.00 0.00 0.00 61.98 62.18 3hka s VAL 137 Cb -0.12 -3.27 -0.23 0.00 0.00 0.00 0.00 36.38 32.77 3hka s VAL 137 CO 0.80 0.23 0.68 0.77 0.00 0.00 0.00 175.10 177.58 3hka h SER 138 N 8.31 0.01 -3.59 3.32 4.64 -1.42 -3.44 113.55 121.38 3hka h SER 138 Ca -0.35 -0.03 -0.30 0.00 -0.47 0.00 0.00 61.79 60.64 3hka h SER 138 Cb 1.17 -0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 62.93 3hka h SER 138 CO 0.58 1.02 -0.74 -1.81 -0.87 0.00 0.00 176.83 175.02 3hka s ASP 139 N -6.14 0.23 -0.16 4.97 1.01 -1.13 -4.73 116.67 110.72 3hka s ASP 139 Ca -0.05 -0.01 0.02 0.00 0.71 0.00 0.00 52.55 53.22 3hka s ASP 139 Cb 0.08 -0.11 0.01 0.00 1.01 0.00 0.00 42.92 43.91 3hka s ASP 139 CO 0.82 -0.07 -0.21 -0.69 0.21 0.00 0.00 175.17 175.23 3hka s VAL 140 N 0.71 2.08 -0.19 -1.27 1.01 -0.15 -0.71 120.40 121.88 3hka s VAL 140 Ca -0.06 -0.96 -0.16 0.00 0.00 0.00 0.00 61.98 60.80 3hka s VAL 140 Cb -0.09 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 3hka s VAL 140 CO -0.02 0.54 0.41 -0.69 0.00 0.00 0.00 175.10 175.35 3hka s VAL 141 N 1.00 5.20 0.78 2.92 1.01 -0.38 -0.63 120.40 130.31 3hka s VAL 141 Ca -0.02 0.74 -0.06 0.00 0.00 0.00 0.00 61.98 62.64 3hka s VAL 141 Cb -0.15 -3.74 0.14 0.00 0.00 0.00 0.00 36.38 32.64 3hka s VAL 141 CO -0.06 0.27 1.09 -0.04 0.00 0.00 0.00 175.10 176.35 3hka s MET 142 N 1.18 1.45 -0.30 2.72 -1.94 0.13 -1.89 119.30 120.65 3hka s MET 142 Ca 0.20 -0.83 0.03 0.00 -1.71 0.00 0.00 55.69 53.39 3hka s MET 142 Cb -0.15 -2.18 0.08 0.00 2.01 0.00 0.00 34.83 34.59 3hka s MET 142 CO 0.08 -1.69 -0.03 0.99 -0.01 0.00 0.00 175.02 174.36 3hka s THR 143 N -3.36 2.12 -0.32 2.05 2.01 -1.16 -3.57 115.64 113.43 3hka s THR 143 Ca 0.68 -1.92 -0.07 0.00 0.31 0.00 0.00 61.69 60.69 3hka s THR 143 Cb -0.05 -2.41 0.02 0.00 0.01 0.00 0.00 72.50 70.07 3hka s THR 143 CO 0.47 -0.32 0.09 0.20 -0.69 0.00 0.00 174.62 174.37 3hka s ASN 144 N 1.05 5.22 -0.46 3.53 -0.87 -0.19 -4.96 114.94 118.26 3hka s ASN 144 Ca 0.01 -0.90 -0.09 0.00 -1.57 0.00 0.00 52.86 50.31 3hka s ASN 144 Cb -0.19 -1.88 0.11 0.00 -0.02 0.00 0.00 41.25 39.27 3hka s ASN 144 CO -0.07 -0.25 0.33 -0.62 -2.57 0.00 0.00 177.10 173.92 3hka s ASP 145 N 1.46 5.70 0.00 -1.22 2.15 -1.26 -0.90 116.67 122.60 3hka s ASP 145 Ca 0.01 -1.85 0.09 0.00 0.43 0.00 0.00 52.55 51.24 3hka s ASP 145 Cb -0.18 -2.01 0.47 0.00 -0.30 0.00 0.00 42.92 40.90 3hka s ASP 145 CO 0.03 -0.67 1.19 -0.81 -0.17 0.00 0.00 175.17 174.74 3hka n PRO 146 N 4.91 0.12 0.08 4.34 -0.04 -1.26 -1.69 135.00 141.47 3hka n PRO 146 Ca -0.08 0.21 0.12 0.00 -0.04 0.00 0.00 63.50 63.70 3hka n PRO 146 Cb 0.41 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.50 3hka n PRO 146 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 3hka h PHE 147 N 0.00 0.00 -3.20 0.54 0.04 -1.92 -3.42 116.94 108.97 3hka h PHE 147 Ca 0.00 0.00 -0.58 0.00 2.80 0.00 0.00 57.97 60.19 3hka h PHE 147 Cb 0.09 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.18 3hka h PHE 147 CO 0.00 0.00 0.60 0.34 -0.60 0.00 0.00 178.31 178.65 3hka s ASP 148 N -4.68 7.03 0.24 2.17 2.15 -0.68 -4.94 116.67 117.96 3hka s ASP 148 Ca 0.05 1.28 -0.04 0.00 0.43 0.00 0.00 52.55 54.26 3hka s ASP 148 Cb 0.12 -2.50 0.45 0.00 -0.30 0.00 0.00 42.92 40.69 3hka s ASP 148 CO 0.73 -0.54 1.72 0.44 -0.17 0.00 0.00 175.17 177.35 3hka h ASP 149 N 7.42 0.22 0.30 -0.34 3.32 -1.87 -0.69 116.42 124.78 3hka h ASP 149 Ca -0.24 0.12 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 3hka h ASP 149 Cb 1.10 0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.76 3hka h ASP 149 CO 0.91 0.07 -0.14 0.78 -1.72 0.00 0.00 179.24 179.14 3hka h ASN 150 N 0.40 -0.34 -0.94 6.45 2.35 -1.94 -2.51 115.58 119.05 3hka h ASN 150 Ca 0.41 -0.09 0.02 0.00 -0.55 0.00 0.00 56.30 56.09 3hka h ASN 150 Cb 0.64 0.09 -0.05 0.00 0.05 0.00 0.00 38.32 39.05 3hka h ASN 150 CO -0.42 -0.11 0.62 -0.33 -1.65 0.00 0.00 177.43 175.54 3hka h GLU 151 N -0.56 1.21 -0.77 0.81 5.08 -1.78 -2.74 114.58 115.83 3hka h GLU 151 Ca -0.04 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 3hka h GLU 151 Cb 0.41 -0.27 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 3hka h GLU 151 CO 0.07 0.80 0.49 -0.09 -1.00 0.00 0.00 179.01 179.27 3hka h ARG 152 N 1.24 1.03 -0.70 2.33 2.43 -1.02 -2.67 114.38 117.02 3hka h ARG 152 Ca 0.35 -0.08 0.03 0.00 -0.81 0.00 0.00 59.98 59.48 3hka h ARG 152 Cb -0.10 -0.22 -0.04 0.00 -0.42 0.00 0.00 29.97 29.19 3hka h ARG 152 CO -0.09 0.70 0.44 0.82 -1.51 0.00 0.00 179.97 180.33 3hka h ILE 153 N 1.05 1.09 -0.28 1.20 1.08 -1.13 -0.43 117.51 120.08 3hka h ILE 153 Ca 0.28 -0.29 0.03 0.00 -0.39 0.00 0.00 64.86 64.49 3hka h ILE 153 Cb -0.08 0.16 -0.03 0.00 -3.07 0.00 0.00 36.82 33.80 3hka h ILE 153 CO -0.06 0.16 0.09 0.28 -0.69 0.00 0.00 178.15 177.93 3hka h SER 154 N 0.86 0.08 -0.47 1.72 0.02 -1.43 0.28 113.55 114.61 3hka h SER 154 Ca 0.28 0.03 -0.08 0.00 -0.84 0.00 0.00 61.79 61.19 3hka h SER 154 Cb 0.03 0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 3hka h SER 154 CO -0.11 0.08 -0.00 -0.50 -1.14 0.00 0.00 176.83 175.16 3hka h TRP 155 N 0.21 0.91 0.00 3.45 4.06 -1.27 -0.69 115.95 122.61 3hka h TRP 155 Ca 0.13 -0.16 -0.03 0.00 2.06 0.00 0.00 58.89 60.89 3hka h TRP 155 Cb 0.10 -0.24 -0.00 0.00 -1.00 0.00 0.00 29.16 28.02 3hka h TRP 155 CO -0.14 0.87 -0.16 -0.07 -3.56 0.00 0.00 178.44 175.38 3hka h LEU 156 N 0.68 0.00 -2.93 -4.49 3.38 -0.76 -2.49 115.31 108.70 3hka h LEU 156 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3hka h LEU 156 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3hka h LEU 156 CO 0.02 0.16 0.00 -0.62 0.09 0.00 0.00 178.44 178.09 3hka n GLU 157 N -3.48 3.89 -0.76 1.13 1.02 0.06 -4.94 120.64 117.56 3hka n GLU 157 Ca -0.01 -2.47 0.00 0.00 -0.02 0.00 0.00 57.16 54.66 3hka n GLU 157 Cb 0.32 -2.03 0.00 0.00 -0.02 0.00 0.00 31.44 29.71 3hka n GLU 157 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hka n GLY 158 N 0.63 0.79 3.74 0.62 0.00 -0.94 -5.03 105.19 105.00 3hka n GLY 158 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 3hka n GLY 158 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hka s LYS 159 N -0.24 4.18 0.01 1.61 -0.14 -0.29 -5.01 119.74 119.86 3hka s LYS 159 Ca 0.00 2.47 0.05 0.00 -1.36 0.00 0.00 55.97 57.13 3hka s LYS 159 Cb 0.00 -3.08 -0.02 0.00 -1.68 0.00 0.00 37.83 33.06 3hka s LYS 159 CO 0.00 -0.58 -0.17 -0.65 -0.76 0.00 0.00 175.35 173.19 3hka s GLN 160 N 0.02 1.24 0.52 1.68 -1.52 -1.26 -4.65 119.66 115.69 3hka s GLN 160 Ca 0.65 -0.69 -0.17 0.00 -1.95 0.00 0.00 55.36 53.20 3hka s GLN 160 Cb -0.46 -1.24 -0.08 0.00 -0.22 0.00 0.00 33.01 31.02 3hka s GLN 160 CO 0.42 0.33 0.99 -1.25 -0.25 0.00 0.00 175.29 175.53 3hka s PRO 161 N -0.70 3.88 0.89 2.91 0.04 -1.26 -4.93 135.00 135.83 3hka s PRO 161 Ca 0.05 1.00 -0.12 0.00 0.04 0.00 0.00 61.00 61.97 3hka s PRO 161 Cb -0.07 -2.12 0.12 0.00 0.04 0.00 0.00 34.50 32.47 3hka s PRO 161 CO 0.00 -0.33 1.10 0.16 0.04 0.00 0.00 177.00 177.98 3hka s ASP 162 N -2.98 3.65 0.54 6.66 1.47 -1.26 -4.85 116.67 119.90 3hka s ASP 162 Ca 0.60 1.26 0.17 0.00 1.18 0.00 0.00 52.55 55.76 3hka s ASP 162 Cb -0.11 -1.93 0.93 0.00 -0.34 0.00 0.00 42.92 41.47 3hka s ASP 162 CO 0.31 -2.50 1.47 0.77 0.68 0.00 0.00 175.17 175.91 3hka h SER 163 N -1.45 0.00 1.47 2.11 4.64 -2.01 -0.58 113.55 117.73 3hka h SER 163 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 3hka h SER 163 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 3hka h SER 163 CO 0.58 0.00 -0.33 0.03 -0.87 0.00 0.00 176.83 176.24 3hka h ARG 164 N 0.00 0.00 -5.94 4.77 3.08 -1.89 -3.46 114.38 110.94 3hka h ARG 164 Ca 0.00 0.00 -0.67 0.00 0.07 0.00 0.00 59.98 59.38 3hka h ARG 164 Cb 0.97 0.00 -0.20 0.00 0.08 0.00 0.00 29.97 30.83 3hka h ARG 164 CO 0.00 0.00 -0.69 -0.06 -1.07 0.00 0.00 179.97 178.15 3hka s PHE 165 N -3.21 2.97 0.06 3.04 0.08 -0.23 -0.97 117.98 119.71 3hka s PHE 165 Ca 0.06 -0.05 0.08 0.00 0.12 0.00 0.00 56.93 57.14 3hka s PHE 165 Cb 0.09 -1.77 -0.03 0.00 -0.57 0.00 0.00 43.02 40.74 3hka s PHE 165 CO 0.69 0.25 -0.23 -1.01 -0.10 0.00 0.00 175.22 174.82 3hka s HIS 166 N -0.54 2.03 0.38 0.36 3.76 0.20 -4.66 115.29 116.82 3hka s HIS 166 Ca 0.08 -0.39 -0.09 0.00 -0.15 0.00 0.00 55.06 54.51 3hka s HIS 166 Cb -0.12 -1.19 -0.06 0.00 1.11 0.00 0.00 32.58 32.32 3hka s HIS 166 CO 0.02 0.14 0.71 0.00 -0.85 0.00 0.00 174.74 174.76 3hka s ALA 167 N -0.86 3.43 -0.07 -1.40 0.00 -1.26 0.23 121.76 121.82 3hka s ALA 167 Ca 0.09 -0.33 -0.03 0.00 0.00 0.00 0.00 51.96 51.70 3hka s ALA 167 Cb -0.09 -2.58 0.04 0.00 0.00 0.00 0.00 23.12 20.49 3hka s ALA 167 CO 0.03 0.04 0.13 0.00 0.00 0.00 0.00 175.76 175.95 3hka s ALA 168 N -2.31 -0.02 -0.51 0.00 0.00 -1.23 -0.78 121.76 116.91 3hka s ALA 168 Ca 0.49 0.42 -0.28 0.00 0.00 0.00 0.00 51.96 52.59 3hka s ALA 168 Cb -0.10 -0.76 0.01 0.00 0.00 0.00 0.00 23.12 22.27 3hka s ALA 168 CO 0.32 -0.55 1.39 -1.17 0.00 0.00 0.00 175.76 175.74 3hka s LEU 169 N 2.25 3.48 -0.10 0.00 2.96 -0.69 -1.02 118.68 125.56 3hka s LEU 169 Ca 0.04 0.48 -0.20 0.00 -0.22 0.00 0.00 54.13 54.23 3hka s LEU 169 Cb -0.12 -3.26 -0.04 0.00 0.50 0.00 0.00 46.19 43.27 3hka s LEU 169 CO -0.05 -1.58 0.54 -0.60 -1.32 0.00 0.00 176.35 173.34 3hka s ARG 170 N 5.22 4.37 -0.11 1.98 6.06 -0.07 -0.27 118.95 136.13 3hka s ARG 170 Ca 0.55 0.57 0.16 0.00 -2.50 0.00 0.00 55.73 54.51 3hka s ARG 170 Cb -0.11 -3.44 0.24 0.00 0.06 0.00 0.00 34.95 31.70 3hka s ARG 170 CO 0.28 0.13 1.12 1.28 -2.50 0.00 0.00 175.30 175.62 3hka n LEU 171 N 3.71 2.01 -0.27 -0.88 4.77 0.53 -4.45 117.00 122.42 3hka n LEU 171 Ca -0.05 -2.77 0.04 0.00 -0.03 0.00 0.00 56.01 53.20 3hka n LEU 171 Cb 0.52 -0.36 0.13 0.00 -2.33 0.00 0.00 43.42 41.38 3hka n LEU 171 CO 0.44 0.64 0.75 0.44 -1.33 0.00 0.00 177.39 178.34 3hka h ASP 172 N 0.00 -0.58 -0.61 -1.43 5.19 -1.92 -0.78 116.42 116.29 3hka h ASP 172 Ca 0.00 0.22 -0.00 0.00 -0.62 0.00 0.00 57.03 56.63 3hka h ASP 172 Cb 1.04 0.44 -0.03 0.00 0.18 0.00 0.00 39.33 40.96 3hka h ASP 172 CO 0.00 -0.24 0.37 -0.65 -3.12 0.00 0.00 179.24 175.60 3hka h PRO 173 N 0.03 0.83 -0.14 3.56 0.11 -1.94 0.37 132.00 134.83 3hka h PRO 173 Ca 0.40 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 66.40 3hka h PRO 173 Cb 0.67 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.60 3hka h PRO 173 CO -0.76 0.59 -0.11 1.25 -0.21 0.00 0.00 178.00 178.76 3hka h LEU 174 N 0.85 0.33 0.06 2.35 5.85 -1.48 -1.98 115.31 121.30 3hka h LEU 174 Ca 0.22 -0.46 -0.27 0.00 0.84 0.00 0.00 57.88 58.22 3hka h LEU 174 Cb -0.03 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 3hka h LEU 174 CO -0.04 0.72 -1.37 -0.07 -0.34 0.00 0.00 178.44 177.33 3hka h LEU 175 N -0.05 0.21 0.00 2.25 4.07 -1.18 -3.28 115.31 117.33 3hka h LEU 175 Ca 0.03 -0.28 0.00 0.00 0.08 0.00 0.00 57.88 57.70 3hka h LEU 175 Cb 0.61 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.28 3hka h LEU 175 CO 0.03 1.23 -1.68 0.59 -1.08 0.00 0.00 178.44 177.53 3hka n ASN 176 N -3.36 0.60 -2.61 -0.43 3.02 0.13 -3.81 115.26 108.80 3hka n ASN 176 Ca -0.11 -0.21 -0.09 0.00 -0.03 0.00 0.00 54.58 54.14 3hka n ASN 176 Cb 1.01 1.70 0.03 0.00 -0.61 0.00 0.00 39.78 41.92 3hka n ASN 176 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3hka n GLU 177 N -2.02 2.12 -0.13 3.52 1.02 -0.75 -4.93 120.64 119.46 3hka n GLU 177 Ca -0.02 -3.67 0.09 0.00 -0.02 0.00 0.00 57.16 53.54 3hka n GLU 177 Cb 0.46 -1.71 0.42 0.00 -0.02 0.00 0.00 31.44 30.59 3hka n GLU 177 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 3hka h TYR 178 N 2.61 0.61 -0.40 -0.32 3.20 -1.60 -0.03 116.97 121.05 3hka h TYR 178 Ca 0.01 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 3hka h TYR 178 Cb 1.27 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 39.32 3hka h TYR 178 CO 0.60 0.31 0.18 0.93 -1.64 0.00 0.00 178.16 178.54 3hka h GLU 179 N 0.59 0.55 0.16 1.82 4.39 -1.91 0.12 114.58 120.31 3hka h GLU 179 Ca 0.29 -0.06 -0.32 0.00 0.34 0.00 0.00 59.36 59.61 3hka h GLU 179 Cb 0.37 -0.11 0.01 0.00 -0.10 0.00 0.00 28.75 28.91 3hka h GLU 179 CO -0.09 0.44 -1.58 1.96 -1.16 0.00 0.00 179.01 178.58 3hka h GLN 180 N 0.55 0.34 -0.14 2.33 7.50 -1.73 -3.38 115.11 120.58 3hka h GLN 180 Ca 0.14 -0.58 -0.12 0.00 0.50 0.00 0.00 58.65 58.59 3hka h GLN 180 Cb 0.07 0.22 -0.01 0.00 0.05 0.00 0.00 27.48 27.81 3hka h GLN 180 CO -0.02 1.23 -0.42 1.15 -1.50 0.00 0.00 178.83 179.27 3hka h THR 181 N 0.09 1.31 -0.64 -0.54 2.02 -0.52 -3.19 112.91 111.45 3hka h THR 181 Ca -0.27 -1.57 0.10 0.00 0.77 0.00 0.00 66.41 65.43 3hka h THR 181 Cb 2.06 1.67 -0.04 0.00 -1.74 0.00 0.00 68.15 70.11 3hka h THR 181 CO 0.19 0.48 0.43 0.07 0.37 0.00 0.00 175.52 177.05 3hka h LYS 182 N 0.27 0.47 -0.64 6.66 2.10 -0.94 -0.32 116.57 124.16 3hka h LYS 182 Ca 0.02 -0.03 -0.05 0.00 -2.00 0.00 0.00 60.65 58.60 3hka h LYS 182 Cb 0.86 -0.10 -0.03 0.00 -0.90 0.00 0.00 32.23 32.06 3hka h LYS 182 CO 0.07 0.31 0.21 0.45 -2.00 0.00 0.00 179.45 178.49 3hka h HIS 183 N 0.48 1.02 -0.34 0.07 3.86 -1.77 -1.94 115.15 116.53 3hka h HIS 183 Ca 0.29 -0.10 -0.13 0.00 -1.16 0.00 0.00 60.37 59.28 3hka h HIS 183 Cb 0.52 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.68 3hka h HIS 183 CO -0.00 0.83 -0.30 0.00 0.86 0.00 0.00 177.93 179.31 3hka h ARG 184 N 0.92 0.72 -0.46 2.45 3.08 -1.24 -1.54 114.38 118.31 3hka h ARG 184 Ca 0.21 -0.32 0.02 0.00 0.07 0.00 0.00 59.98 59.95 3hka h ARG 184 Cb 0.27 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.28 3hka h ARG 184 CO -0.01 0.93 0.28 -0.07 -1.07 0.00 0.00 179.97 180.03 3hka h LEU 185 N 0.61 0.47 -1.14 3.04 3.38 -0.93 -1.16 115.31 119.58 3hka h LEU 185 Ca 0.07 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3hka h LEU 185 Cb 0.82 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.43 3hka h LEU 185 CO 0.07 0.33 0.42 0.03 0.09 0.00 0.00 178.44 179.38 3hka h ARG 186 N 0.57 1.01 0.00 1.13 3.08 -1.09 0.11 114.38 119.18 3hka h ARG 186 Ca 0.18 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 60.13 3hka h ARG 186 Cb -0.01 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 29.83 3hka h ARG 186 CO -0.07 0.73 -0.01 -0.44 -1.07 0.00 0.00 179.97 179.11 3hka h ASP 187 N 1.02 0.00 -0.59 7.04 3.45 -0.21 -2.17 116.42 124.96 3hka h ASP 187 Ca 0.26 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.72 3hka h ASP 187 Cb -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 3hka h ASP 187 CO -0.05 0.01 0.00 0.79 -1.57 0.00 0.00 179.24 178.42 3hka n TRP 188 N -3.13 1.13 -0.43 4.55 8.01 -0.12 -4.95 117.44 122.51 3hka n TRP 188 Ca -0.01 -0.58 0.00 0.00 -1.31 0.00 0.00 57.50 55.60 3hka n TRP 188 Cb 0.19 -0.15 0.00 0.00 -2.01 0.00 0.00 31.31 29.34 3hka n TRP 188 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3hka n GLY 189 N 1.04 0.72 3.47 6.99 0.00 -0.81 -5.02 105.19 111.57 3hka n GLY 189 Ca 0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 3hka n GLY 189 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hka s TYR 190 N -2.81 2.96 -0.87 1.61 2.02 -0.37 -4.95 117.35 114.94 3hka s TYR 190 Ca 0.00 -0.40 -0.06 0.00 -0.37 0.00 0.00 57.07 56.24 3hka s TYR 190 Cb 0.00 -3.74 -0.09 0.00 -0.40 0.00 0.00 41.96 37.73 3hka s TYR 190 CO 0.00 -1.16 2.41 1.63 -1.57 0.00 0.00 175.55 176.86 3hka n LYS 191 N 6.62 2.28 -2.63 -0.62 5.02 -1.26 -2.91 118.16 124.66 3hka n LYS 191 Ca -0.04 -1.45 -0.35 0.00 -2.02 0.00 0.00 58.31 54.45 3hka n LYS 191 Cb 0.46 -2.39 -0.05 0.00 -0.02 0.00 0.00 35.03 33.03 3hka n LYS 191 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3hka s VAL 192 N 2.75 3.93 0.36 -0.18 -7.23 -1.26 -4.69 120.40 114.08 3hka s VAL 192 Ca 0.48 1.37 0.02 0.00 -1.81 0.00 0.00 61.98 62.03 3hka s VAL 192 Cb 0.14 -3.66 -0.02 0.00 0.56 0.00 0.00 36.38 33.41 3hka s VAL 192 CO -0.03 -0.09 0.56 0.20 -0.31 0.00 0.00 175.10 175.42 3hka s ASN 193 N -1.78 6.14 0.33 4.85 0.01 -1.26 -4.90 114.94 118.32 3hka s ASN 193 Ca 0.60 0.30 0.03 0.00 -0.71 0.00 0.00 52.86 53.08 3hka s ASN 193 Cb -0.18 -1.80 0.59 0.00 0.41 0.00 0.00 41.25 40.28 3hka s ASN 193 CO 0.22 -0.40 1.89 0.44 -1.51 0.00 0.00 177.10 177.75 3hka h ASP 194 N 0.71 0.56 -3.68 -1.22 3.32 -1.99 -3.41 116.42 110.71 3hka h ASP 194 Ca -0.49 -0.09 -0.50 0.00 0.02 0.00 0.00 57.03 55.98 3hka h ASP 194 Cb 1.23 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.62 3hka h ASP 194 CO 0.59 0.57 0.34 -0.70 -1.72 0.00 0.00 179.24 178.33 3hka s GLU 195 N -5.12 4.79 -0.47 3.56 2.12 -1.26 -5.00 118.70 117.32 3hka s GLU 195 Ca -0.08 1.45 -0.26 0.00 0.36 0.00 0.00 54.97 56.44 3hka s GLU 195 Cb 0.16 -3.31 0.03 0.00 0.26 0.00 0.00 34.13 31.27 3hka s GLU 195 CO 0.77 0.43 0.97 -0.46 -0.54 0.00 0.00 175.26 176.42 3hka s TRP 196 N -0.80 2.89 0.20 5.30 -0.11 -1.26 -4.68 118.94 120.47 3hka s TRP 196 Ca 0.42 0.41 -0.00 0.00 1.22 0.00 0.00 56.10 58.15 3hka s TRP 196 Cb -0.25 -4.07 0.00 0.00 -1.50 0.00 0.00 33.47 27.65 3hka s TRP 196 CO 0.31 -1.16 0.26 0.27 -4.62 0.00 0.00 176.95 172.01 3hka n ASN 197 N 7.34 -0.73 -0.35 5.86 0.23 -1.26 -5.01 115.26 121.34 3hka n ASN 197 Ca 0.07 -2.14 0.08 0.00 -0.53 0.00 0.00 54.58 52.07 3hka n ASN 197 Cb 0.49 1.39 0.26 0.00 -2.08 0.00 0.00 39.78 39.83 3hka n ASN 197 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 3hka h GLU 198 N 0.00 0.87 -0.48 -3.83 4.57 -1.99 -0.09 114.58 113.64 3hka h GLU 198 Ca -0.15 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 57.97 3hka h GLU 198 Cb 0.69 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 29.07 3hka h GLU 198 CO 0.21 0.58 0.28 0.78 -1.18 0.00 0.00 179.01 179.68 3hka h GLY 199 N 0.90 0.69 1.04 1.92 0.00 -1.96 -1.08 103.07 104.58 3hka h GLY 199 Ca 0.51 -0.29 -0.11 0.00 0.00 0.00 0.00 47.33 47.44 3hka h GLY 199 CO -0.30 0.28 -0.16 1.76 0.00 0.00 0.00 176.54 178.11 3hka h SER 200 N 0.63 0.90 -0.26 0.19 0.02 -1.59 -2.45 113.55 111.00 3hka h SER 200 Ca 0.17 -0.39 0.04 0.00 -0.84 0.00 0.00 61.79 60.78 3hka h SER 200 Cb -0.00 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 62.25 3hka h SER 200 CO -0.03 1.08 -0.01 0.40 -1.14 0.00 0.00 176.83 177.13 3hka h ILE 201 N 0.71 0.81 -0.52 3.27 2.04 -0.79 -1.03 117.51 122.00 3hka h ILE 201 Ca 0.10 -0.02 -0.05 0.00 1.00 0.00 0.00 64.86 65.89 3hka h ILE 201 Cb 0.72 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 3hka h ILE 201 CO 0.05 0.01 0.11 1.56 0.00 0.00 0.00 178.15 179.89 3hka h GLN 202 N 0.07 0.80 -0.05 2.37 1.08 -1.11 -1.09 115.11 117.18 3hka h GLN 202 Ca 0.12 -0.17 -0.16 0.00 -1.45 0.00 0.00 58.65 56.99 3hka h GLN 202 Cb 0.16 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.46 3hka h GLN 202 CO -0.21 0.73 -0.69 0.93 -0.95 0.00 0.00 178.83 178.64 3hka h GLU 203 N 0.77 0.23 -0.31 1.46 4.39 -1.07 -0.57 114.58 119.49 3hka h GLU 203 Ca 0.17 -0.18 -0.16 0.00 0.34 0.00 0.00 59.36 59.53 3hka h GLU 203 Cb 0.31 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 3hka h GLU 203 CO 0.00 0.83 -0.43 0.28 -1.16 0.00 0.00 179.01 178.53 3hka h VAL 204 N 0.16 1.29 -0.69 3.13 2.07 -0.91 -0.52 116.25 120.77 3hka h VAL 204 Ca -0.02 -1.61 -0.04 0.00 0.82 0.00 0.00 66.70 65.85 3hka h VAL 204 Cb 1.23 1.50 -0.03 0.00 -1.52 0.00 0.00 31.29 32.47 3hka h VAL 204 CO 0.11 0.52 0.27 0.11 0.02 0.00 0.00 177.57 178.60 3hka h LYS 205 N 0.63 1.03 -0.47 1.57 1.57 -1.05 -1.38 116.57 118.47 3hka h LYS 205 Ca 0.04 -0.18 -0.11 0.00 -1.87 0.00 0.00 60.65 58.53 3hka h LYS 205 Cb 0.99 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 33.12 3hka h LYS 205 CO 0.09 0.84 -0.16 -0.09 -0.57 0.00 0.00 179.45 179.56 3hka h ARG 206 N 1.01 0.90 -0.24 3.15 2.43 -0.78 -0.35 114.38 120.50 3hka h ARG 206 Ca 0.23 -0.34 -0.00 0.00 -0.81 0.00 0.00 59.98 59.06 3hka h ARG 206 Cb 0.20 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 3hka h ARG 206 CO -0.02 0.99 0.15 0.35 -1.51 0.00 0.00 179.97 179.93 3hka h PHE 207 N 0.79 0.31 -0.35 2.20 3.57 -0.57 0.78 116.94 123.67 3hka h PHE 207 Ca 0.12 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 3hka h PHE 207 Cb 0.70 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.32 3hka h PHE 207 CO 0.04 0.23 0.16 -0.07 -2.23 0.00 0.00 178.31 176.44 3hka h LEU 208 N 0.30 0.47 -0.49 0.59 3.38 -1.07 -2.18 115.31 116.32 3hka h LEU 208 Ca 0.09 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3hka h LEU 208 Cb 0.00 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3hka h LEU 208 CO -0.02 0.48 0.31 0.74 0.09 0.00 0.00 178.44 180.04 3hka h THR 209 N 0.43 1.13 -0.58 0.22 2.02 -0.81 0.03 112.91 115.35 3hka h THR 209 Ca 0.12 -0.26 0.02 0.00 0.77 0.00 0.00 66.41 67.05 3hka h THR 209 Cb 0.14 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 66.96 3hka h THR 209 CO -0.01 0.13 0.37 0.44 0.37 0.00 0.00 175.52 176.82 3hka h ASP 210 N 0.66 0.63 0.66 4.18 3.32 -0.71 -1.29 116.42 123.87 3hka h ASP 210 Ca 0.18 -0.01 -0.14 0.00 0.02 0.00 0.00 57.03 57.08 3hka h ASP 210 Cb -0.05 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 3hka h ASP 210 CO -0.04 0.45 -0.67 -0.50 -1.72 0.00 0.00 179.24 176.76 3hka h TRP 211 N 0.75 0.01 -0.45 4.55 4.06 -1.06 -1.08 115.95 122.72 3hka h TRP 211 Ca 0.22 -0.00 -0.08 0.00 2.06 0.00 0.00 58.89 61.09 3hka h TRP 211 Cb -0.04 -0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.10 3hka h TRP 211 CO -0.04 0.67 -0.04 0.82 -3.56 0.00 0.00 178.44 176.29 3hka h ILE 212 N 0.00 1.27 -0.71 1.49 2.04 -0.71 0.25 117.51 121.14 3hka h ILE 212 Ca -0.01 -1.12 -0.07 0.00 1.00 0.00 0.00 64.86 64.66 3hka h ILE 212 Cb 1.18 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 38.32 3hka h ILE 212 CO 0.09 0.39 0.17 -0.08 0.00 0.00 0.00 178.15 178.71 3hka h GLU 213 N 0.67 1.14 -0.11 2.37 4.81 -1.09 0.26 114.58 122.62 3hka h GLU 213 Ca 0.12 -0.27 -0.19 0.00 -0.13 0.00 0.00 59.36 58.89 3hka h GLU 213 Cb 0.56 -0.15 0.01 0.00 0.63 0.00 0.00 28.75 29.80 3hka h GLU 213 CO 0.03 1.00 -0.66 -0.09 -0.73 0.00 0.00 179.01 178.57 3hka h ARG 214 N 1.08 0.64 0.00 1.92 2.43 -0.99 -3.35 114.38 116.11 3hka h ARG 214 Ca 0.22 -0.54 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 3hka h ARG 214 Cb 0.38 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 3hka h ARG 214 CO 0.00 1.16 -1.18 -1.33 -1.51 0.00 0.00 179.97 177.11 3hka n MET 215 N -4.09 0.54 -3.99 0.20 2.81 0.06 -4.98 117.12 107.67 3hka n MET 215 Ca -0.08 0.04 -0.30 0.00 -1.81 0.00 0.00 57.70 55.54 3hka n MET 215 Cb 0.68 -1.72 -0.02 0.00 -0.71 0.00 0.00 33.22 31.45 3hka n MET 215 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3hka n ASP 216 N -2.44 -1.44 -4.76 7.83 2.03 0.90 -4.56 116.55 114.11 3hka n ASP 216 Ca -0.00 -1.10 -0.36 0.00 0.52 0.00 0.00 54.79 53.85 3hka n ASP 216 Cb 0.53 -2.65 0.02 0.00 -0.72 0.00 0.00 41.12 38.29 3hka n ASP 216 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3hka s PRO 217 N -6.72 3.28 0.43 -0.67 0.04 -1.26 -4.62 135.00 125.47 3hka s PRO 217 Ca 0.15 1.79 0.23 0.00 0.04 0.00 0.00 61.00 63.21 3hka s PRO 217 Cb -0.07 -2.09 0.56 0.00 0.04 0.00 0.00 34.50 32.95 3hka s PRO 217 CO 0.92 -0.95 1.68 -0.39 0.04 0.00 0.00 177.00 178.29 3hka h VAL 218 N 1.25 0.27 -1.99 -0.36 -1.51 -1.29 -3.47 116.25 109.14 3hka h VAL 218 Ca -0.50 -1.19 0.19 0.00 -1.23 0.00 0.00 66.70 63.97 3hka h VAL 218 Cb 1.28 1.97 -0.14 0.00 -2.13 0.00 0.00 31.29 32.26 3hka h VAL 218 CO 0.57 0.14 0.61 -0.72 -1.23 0.00 0.00 177.57 176.94 3hka s TYR 219 N -3.31 -0.20 0.01 5.19 -0.85 -1.26 -4.36 117.35 112.57 3hka s TYR 219 Ca 0.04 0.05 -0.00 0.00 -0.52 0.00 0.00 57.07 56.64 3hka s TYR 219 Cb 0.07 0.56 -0.04 0.00 0.38 0.00 0.00 41.96 42.93 3hka s TYR 219 CO 0.66 -0.50 0.09 -1.64 -1.52 0.00 0.00 175.55 172.64 3hka s MET 220 N -2.90 3.09 0.09 -3.49 -1.94 -0.61 -1.70 119.30 111.83 3hka s MET 220 Ca 0.09 -0.50 -0.03 0.00 -1.71 0.00 0.00 55.69 53.54 3hka s MET 220 Cb -0.00 -2.87 -0.03 0.00 2.01 0.00 0.00 34.83 33.94 3hka s MET 220 CO -0.05 0.64 0.06 0.00 -0.01 0.00 0.00 175.02 175.67 3hka s ALA 221 N -1.24 0.41 -0.07 3.03 0.00 0.63 0.03 121.76 124.55 3hka s ALA 221 Ca 0.24 -1.13 -0.28 0.00 0.00 0.00 0.00 51.96 50.79 3hka s ALA 221 Cb -0.12 0.52 0.06 0.00 0.00 0.00 0.00 23.12 23.58 3hka s ALA 221 CO 0.16 -0.45 0.63 0.54 0.00 0.00 0.00 175.76 176.64 3hka s VAL 222 N -3.95 0.01 -0.08 0.00 0.11 -0.72 -0.35 120.40 115.42 3hka s VAL 222 Ca 0.12 -0.06 -0.02 0.00 -2.93 0.00 0.00 61.98 59.09 3hka s VAL 222 Cb 0.07 -0.95 -0.03 0.00 -1.53 0.00 0.00 36.38 33.94 3hka s VAL 222 CO -0.06 -0.03 0.02 -0.94 -3.33 0.00 0.00 175.10 170.76 3hka s SER 223 N -1.04 5.41 0.13 3.54 1.04 -1.26 -1.62 113.70 119.91 3hka s SER 223 Ca -0.10 0.18 0.07 0.00 0.48 0.00 0.00 55.95 56.59 3hka s SER 223 Cb -0.01 -1.56 -0.04 0.00 0.10 0.00 0.00 66.02 64.51 3hka s SER 223 CO 0.08 0.37 -0.17 -0.76 0.98 0.00 0.00 173.24 173.74 3hka s LEU 224 N -0.98 2.39 0.76 2.42 1.43 0.16 -4.91 118.68 119.94 3hka s LEU 224 Ca 0.14 -0.79 -0.11 0.00 -1.03 0.00 0.00 54.13 52.34 3hka s LEU 224 Cb -0.11 -0.74 0.05 0.00 0.03 0.00 0.00 46.19 45.41 3hka s LEU 224 CO 0.03 -0.05 1.09 -2.16 0.23 0.00 0.00 176.35 175.50 3hka s PRO 225 N -2.49 2.39 0.62 1.29 0.04 -1.25 -0.31 135.00 135.29 3hka s PRO 225 Ca 0.11 0.67 0.41 0.00 0.04 0.00 0.00 61.00 62.22 3hka s PRO 225 Cb -0.07 -1.95 2.15 0.00 0.04 0.00 0.00 34.50 34.67 3hka s PRO 225 CO 0.05 -1.41 2.25 -1.00 0.04 0.00 0.00 177.00 176.92 3hka h PRO 226 N -0.94 0.00 -0.26 0.56 0.13 -1.75 -1.25 132.00 128.49 3hka h PRO 226 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3hka h PRO 226 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 3hka h PRO 226 CO 0.60 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.62 3hka n THR 227 N -3.00 0.34 -1.65 1.56 -2.24 -1.26 -4.08 114.28 103.95 3hka n THR 227 Ca -0.02 -0.38 -0.47 0.00 -2.27 0.00 0.00 64.05 60.91 3hka n THR 227 Cb 0.11 0.23 -0.04 0.00 -2.10 0.00 0.00 70.33 68.52 3hka n THR 227 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 3hka n PHE 228 N 0.32 2.07 -3.97 4.78 7.35 -0.47 -4.99 117.46 122.56 3hka n PHE 228 Ca 0.12 0.39 -0.09 0.00 -0.76 0.00 0.00 57.45 57.12 3hka n PHE 228 Cb 0.27 -2.47 -0.09 0.00 0.35 0.00 0.00 39.48 37.53 3hka n PHE 228 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 3hka s SER 229 N 0.62 0.26 -0.28 -2.13 1.04 -1.26 -4.65 113.70 107.30 3hka s SER 229 Ca 0.77 -0.67 -0.16 0.00 0.48 0.00 0.00 55.95 56.36 3hka s SER 229 Cb -0.72 0.22 0.11 0.00 0.10 0.00 0.00 66.02 65.73 3hka s SER 229 CO 0.43 -0.54 0.84 0.12 0.98 0.00 0.00 173.24 175.07 3hka s PHE 230 N -3.03 -0.80 0.89 5.02 2.19 -1.26 -4.39 117.98 116.61 3hka s PHE 230 Ca -0.01 1.61 -0.10 0.00 0.33 0.00 0.00 56.93 58.75 3hka s PHE 230 Cb 0.01 0.47 0.13 0.00 -1.31 0.00 0.00 43.02 42.33 3hka s PHE 230 CO -0.07 -0.39 1.12 -2.14 1.83 0.00 0.00 175.22 175.57 3hka s PRO 231 N 1.42 1.25 -0.20 10.12 0.02 -1.26 -4.14 135.00 142.20 3hka s PRO 231 Ca -0.09 1.36 -0.17 0.00 0.02 0.00 0.00 61.00 62.12 3hka s PRO 231 Cb -0.04 -1.77 0.06 0.00 0.02 0.00 0.00 34.50 32.76 3hka s PRO 231 CO -0.17 -2.41 0.52 -2.00 -0.33 0.00 0.00 177.00 172.62 3hka s GLU 232 N -4.72 0.59 -0.95 5.54 2.12 -1.26 -5.08 118.70 114.93 3hka s GLU 232 Ca 0.65 0.79 -0.20 0.00 0.36 0.00 0.00 54.97 56.57 3hka s GLU 232 Cb -0.21 0.23 0.10 0.00 0.26 0.00 0.00 34.13 34.52 3hka s GLU 232 CO 0.58 -0.09 1.23 -2.00 -0.54 0.00 0.00 175.26 174.43 3hka s GLU 233 N 0.59 3.59 0.20 4.30 2.56 -1.26 -3.96 118.70 124.71 3hka s GLU 233 Ca -0.02 -1.53 -0.23 0.00 0.00 0.00 0.00 54.97 53.19 3hka s GLU 233 Cb -0.05 -5.05 0.06 0.00 2.00 0.00 0.00 34.13 31.10 3hka s GLU 233 CO -0.03 -1.92 0.93 -1.54 -0.56 0.00 0.00 175.26 172.14 3hka s SER 234 N 4.08 -0.12 0.14 -1.70 1.04 -1.26 -4.99 113.70 110.89 3hka s SER 234 Ca 0.37 -0.59 -0.18 0.00 0.48 0.00 0.00 55.95 56.03 3hka s SER 234 Cb -0.03 0.56 -0.02 0.00 0.10 0.00 0.00 66.02 66.63 3hka s SER 234 CO -0.09 -1.07 1.80 0.78 0.98 0.00 0.00 173.24 175.63 3hka h ASN 235 N 2.00 0.37 -0.48 7.02 2.35 -1.91 0.21 115.58 125.14 3hka h ASN 235 Ca -0.25 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.47 3hka h ASN 235 Cb 1.23 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 39.49 3hka h ASN 235 CO 0.30 0.27 0.26 -0.09 -1.65 0.00 0.00 177.43 176.52 3hka h ARG 236 N 0.44 0.67 -0.29 0.81 2.43 -1.91 0.21 114.38 116.73 3hka h ARG 236 Ca 0.12 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 3hka h ARG 236 Cb -0.05 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.36 3hka h ARG 236 CO -0.03 0.52 0.14 0.78 -1.51 0.00 0.00 179.97 179.88 3hka h GLY 237 N 0.64 0.45 0.99 2.80 0.00 -1.65 -1.32 103.07 104.97 3hka h GLY 237 Ca 0.17 -0.22 -0.11 0.00 0.00 0.00 0.00 47.33 47.17 3hka h GLY 237 CO -0.03 0.21 -0.19 3.21 0.00 0.00 0.00 176.54 179.74 3hka h ARG 238 N 0.34 0.77 -0.66 4.80 3.08 -0.75 -1.93 114.38 120.02 3hka h ARG 238 Ca 0.10 -0.34 -0.07 0.00 0.07 0.00 0.00 59.98 59.73 3hka h ARG 238 Cb 0.12 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.12 3hka h ARG 238 CO -0.01 0.96 0.13 0.82 -1.07 0.00 0.00 179.97 180.80 3hka h ILE 239 N 0.56 1.26 -0.24 2.04 2.04 -0.54 0.25 117.51 122.88 3hka h ILE 239 Ca 0.08 -1.00 -0.02 0.00 1.00 0.00 0.00 64.86 64.92 3hka h ILE 239 Cb 0.74 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 3hka h ILE 239 CO 0.06 0.38 0.06 0.40 0.00 0.00 0.00 178.15 179.04 3hka h ILE 240 N 1.01 1.21 0.37 -0.67 2.04 -1.21 -0.45 117.51 119.80 3hka h ILE 240 Ca 0.20 -0.67 -0.02 0.00 1.00 0.00 0.00 64.86 65.37 3hka h ILE 240 Cb 0.41 1.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 3hka h ILE 240 CO 0.01 0.21 -0.18 -0.09 0.00 0.00 0.00 178.15 178.11 3hka h ARG 241 N 0.21 -0.48 0.00 2.37 2.43 -1.14 -1.59 114.38 116.17 3hka h ARG 241 Ca 0.08 0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.19 3hka h ARG 241 Cb 0.27 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 3hka h ARG 241 CO 0.00 -0.20 -0.40 -0.44 -1.51 0.00 0.00 179.97 177.42 3hka h ASP 242 N -0.74 0.00 0.00 -3.80 3.32 -0.58 -3.41 116.42 111.21 3hka h ASP 242 Ca -0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.00 3hka h ASP 242 Cb 0.51 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.06 3hka h ASP 242 CO 0.08 0.40 -0.13 0.00 -1.72 0.00 0.00 179.24 177.87 3hka h LEU 244 N 0.00 -0.74 -0.45 0.00 7.12 -1.31 -2.34 115.31 117.60 3hka h LEU 244 Ca 0.00 0.04 0.00 0.00 0.13 0.00 0.00 57.88 58.05 3hka h LEU 244 Cb 0.13 0.21 -0.02 0.00 -0.53 0.00 0.00 40.66 40.45 3hka h LEU 244 CO 0.00 -0.49 0.29 -0.07 -0.13 0.00 0.00 178.44 178.04 3hka h LEU 245 N -0.79 0.53 -0.75 2.25 3.38 -1.53 0.12 115.31 118.51 3hka h LEU 245 Ca -0.07 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.79 3hka h LEU 245 Cb 0.63 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 3hka h LEU 245 CO 0.09 0.40 0.08 1.55 0.09 0.00 0.00 178.44 180.66 3hka h PRO 246 N 0.60 1.03 -0.50 1.13 0.13 -1.78 -0.46 132.00 132.16 3hka h PRO 246 Ca 0.16 -0.28 -0.12 0.00 -0.87 0.00 0.00 66.00 64.90 3hka h PRO 246 Cb -0.04 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 30.95 3hka h PRO 246 CO -0.03 0.96 -0.15 0.28 -0.23 0.00 0.00 178.00 178.83 3hka h VAL 247 N 0.97 1.27 -0.65 1.56 2.07 -1.20 -1.12 116.25 119.15 3hka h VAL 247 Ca 0.19 -1.31 -0.08 0.00 0.82 0.00 0.00 66.70 66.32 3hka h VAL 247 Cb 0.45 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 3hka h VAL 247 CO 0.01 0.46 0.08 0.00 0.02 0.00 0.00 177.57 178.14 3hka h ALA 248 N 0.89 0.92 -0.22 1.67 0.00 -0.55 -1.82 119.26 120.14 3hka h ALA 248 Ca 0.12 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 3hka h ALA 248 Cb 0.72 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3hka h ALA 248 CO 0.06 0.66 -0.04 1.49 0.00 0.00 0.00 179.25 181.42 3hka h GLU 249 N 1.01 0.42 -0.77 0.00 4.81 -0.96 0.90 114.58 119.99 3hka h GLU 249 Ca 0.19 -0.16 0.07 0.00 -0.13 0.00 0.00 59.36 59.34 3hka h GLU 249 Cb 0.47 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.76 3hka h GLU 249 CO 0.02 0.65 0.45 -0.22 -0.73 0.00 0.00 179.01 179.17 3hka h LYS 250 N 0.16 0.78 -0.40 1.92 3.64 -1.02 -1.96 116.57 119.68 3hka h LYS 250 Ca 0.06 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3hka h LYS 250 Cb 0.49 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 3hka h LYS 250 CO 0.02 0.51 0.00 0.72 -2.27 0.00 0.00 179.45 178.43 3hka n HIS 251 N -4.73 0.52 -3.88 1.91 8.25 -0.70 -4.96 115.22 111.63 3hka n HIS 251 Ca 0.11 -0.26 -0.27 0.00 -0.26 0.00 0.00 57.72 57.04 3hka n HIS 251 Cb 0.20 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.31 3hka n HIS 251 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3hka n ASN 252 N 1.20 -1.61 -4.32 0.41 4.05 0.10 -4.98 115.26 110.11 3hka n ASN 252 Ca 0.19 -1.01 -0.33 0.00 0.45 0.00 0.00 54.58 53.88 3hka n ASN 252 Cb 0.52 -3.13 -0.15 0.00 1.23 0.00 0.00 39.78 38.26 3hka n ASN 252 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 3hka s ILE 253 N -3.82 2.81 0.77 -1.44 1.01 -0.01 -4.97 121.20 115.55 3hka s ILE 253 Ca 0.13 -0.74 -0.12 0.00 0.00 0.00 0.00 60.65 59.92 3hka s ILE 253 Cb -0.05 -2.17 0.06 0.00 0.01 0.00 0.00 42.46 40.31 3hka s ILE 253 CO 0.88 0.53 1.11 -2.16 0.00 0.00 0.00 174.94 175.30 3hka s PRO 254 N 0.46 2.14 -0.26 2.79 0.04 -1.26 -4.66 135.00 134.26 3hka s PRO 254 Ca -0.11 1.33 -0.03 0.00 0.04 0.00 0.00 61.00 62.23 3hka s PRO 254 Cb -0.16 -1.87 0.02 0.00 0.04 0.00 0.00 34.50 32.53 3hka s PRO 254 CO 0.05 -1.75 -0.03 0.12 0.04 0.00 0.00 177.00 175.42 3hka s PHE 255 N -2.67 3.09 -0.22 0.56 5.36 -0.25 -1.57 117.98 122.28 3hka s PHE 255 Ca 0.64 -1.46 -0.16 0.00 -0.96 0.00 0.00 56.93 55.00 3hka s PHE 255 Cb -0.20 -2.09 -0.04 0.00 -0.34 0.00 0.00 43.02 40.35 3hka s PHE 255 CO 0.53 -0.70 0.40 0.00 -1.46 0.00 0.00 175.22 173.98 3hka s ALA 256 N 1.35 3.56 -0.20 11.12 0.00 0.10 -1.22 121.76 136.48 3hka s ALA 256 Ca 0.00 -0.59 -0.00 0.00 0.00 0.00 0.00 51.96 51.37 3hka s ALA 256 Cb -0.17 -2.66 0.02 0.00 0.00 0.00 0.00 23.12 20.31 3hka s ALA 256 CO -0.03 -0.39 -0.14 -1.64 0.00 0.00 0.00 175.76 173.56 3hka s MET 257 N 1.51 3.04 -0.49 0.00 1.00 0.88 -1.76 119.30 123.48 3hka s MET 257 Ca 0.18 -0.82 -0.06 0.00 0.00 0.00 0.00 55.69 55.00 3hka s MET 257 Cb -0.15 -2.75 0.13 0.00 0.00 0.00 0.00 34.83 32.06 3hka s MET 257 CO 0.08 -0.25 0.33 -1.64 0.00 0.00 0.00 175.02 173.55 3hka s MET 258 N 1.33 2.36 -0.12 2.03 -1.94 -0.64 -2.21 119.30 120.12 3hka s MET 258 Ca 0.04 -1.97 -0.10 0.00 -1.71 0.00 0.00 55.69 51.96 3hka s MET 258 Cb -0.14 -3.78 -0.05 0.00 2.01 0.00 0.00 34.83 32.87 3hka s MET 258 CO -0.09 -1.15 0.20 0.42 -0.01 0.00 0.00 175.02 174.39 3hka s ILE 259 N 0.95 5.39 0.00 2.53 1.01 -0.81 0.37 121.20 130.63 3hka s ILE 259 Ca 0.09 0.35 0.00 0.00 0.00 0.00 0.00 60.65 61.09 3hka s ILE 259 Cb -0.23 -3.49 0.00 0.00 0.01 0.00 0.00 42.46 38.75 3hka s ILE 259 CO -0.03 0.56 0.00 0.61 0.00 0.00 0.00 174.94 176.08 3hka n GLY 260 N 2.38 0.99 3.70 6.18 0.00 0.58 -0.63 105.19 118.39 3hka n GLY 260 Ca -0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.45 3hka n GLY 260 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hka s VAL 261 N -1.72 5.06 -0.41 1.61 0.11 -0.83 -1.73 120.40 122.49 3hka s VAL 261 Ca 0.00 1.28 -0.12 0.00 -2.93 0.00 0.00 61.98 60.21 3hka s VAL 261 Cb 0.00 -3.97 0.05 0.00 -1.53 0.00 0.00 36.38 30.92 3hka s VAL 261 CO 0.00 0.21 0.27 -0.75 -3.33 0.00 0.00 175.10 171.50 3hka s LYS 262 N 1.21 2.83 0.37 1.54 2.20 -0.40 -3.75 119.74 123.75 3hka s LYS 262 Ca 0.32 -1.20 -0.26 0.00 -0.36 0.00 0.00 55.97 54.47 3hka s LYS 262 Cb -0.16 -3.87 -0.09 0.00 -1.51 0.00 0.00 37.83 32.20 3hka s LYS 262 CO 0.14 -0.83 1.12 0.15 -0.36 0.00 0.00 175.35 175.57 3hka s LYS 263 N 1.57 4.24 -1.34 4.03 -0.14 -1.26 -0.35 119.74 126.48 3hka s LYS 263 Ca 0.03 1.75 -0.09 0.00 -1.36 0.00 0.00 55.97 56.30 3hka s LYS 263 Cb -0.21 -2.78 0.00 0.00 -1.68 0.00 0.00 37.83 33.17 3hka s LYS 263 CO 0.06 -0.14 0.48 0.54 -0.76 0.00 0.00 175.35 175.54 3hka n ARG 264 N 0.33 -2.10 0.23 1.68 1.74 -1.22 -4.86 116.66 112.47 3hka n ARG 264 Ca 0.03 0.33 0.14 0.00 -0.77 0.00 0.00 57.85 57.58 3hka n ARG 264 Cb 0.47 -4.04 0.40 0.00 -1.02 0.00 0.00 32.46 28.27 3hka n ARG 264 CO 0.00 0.00 0.00 -0.39 -1.52 0.00 0.00 177.63 175.72 3hka h VAL 265 N -1.95 0.00 -2.61 1.55 -1.51 -0.97 -3.32 116.25 107.43 3hka h VAL 265 Ca -0.65 -0.73 -0.60 0.00 -1.23 0.00 0.00 66.70 63.49 3hka h VAL 265 Cb 1.38 1.71 -0.39 0.00 -2.13 0.00 0.00 31.29 31.86 3hka h VAL 265 CO 0.59 0.00 -0.85 -2.28 -1.23 0.00 0.00 177.57 173.80 3hka s HIS 266 N -3.38 1.71 0.27 5.19 5.65 -0.97 -5.02 115.29 118.75 3hka s HIS 266 Ca 0.05 -2.50 -0.05 0.00 0.25 0.00 0.00 55.06 52.81 3hka s HIS 266 Cb 0.07 -1.42 0.54 0.00 -1.18 0.00 0.00 32.58 30.59 3hka s HIS 266 CO 0.60 -0.76 1.60 -1.35 -0.65 0.00 0.00 174.74 174.18 3hka h PRO 267 N 5.83 0.04 -0.28 2.88 0.11 -1.84 -1.65 132.00 137.09 3hka h PRO 267 Ca 0.19 -0.00 0.08 0.00 0.11 0.00 0.00 66.00 66.38 3hka h PRO 267 Cb 0.88 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.97 3hka h PRO 267 CO 0.45 0.03 0.20 0.00 -0.21 0.00 0.00 178.00 178.47 3hka h ALA 268 N 1.86 2.23 0.00 -0.75 0.00 -1.95 -0.95 119.26 119.70 3hka h ALA 268 Ca 0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.39 3hka h ALA 268 Cb 0.88 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3hka h ALA 268 CO -0.84 -0.35 0.00 1.28 0.00 0.00 0.00 179.25 179.35 3hka n LEU 269 N -4.39 0.00 0.00 0.00 4.77 -0.62 -4.97 117.00 111.79 3hka n LEU 269 Ca 0.04 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 3hka n LEU 269 Cb 0.36 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 3hka n LEU 269 CO 0.35 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 3hka n GLY 270 N 0.89 3.40 0.32 -0.72 0.00 -0.36 -1.06 105.19 107.65 3hka n GLY 270 Ca 0.21 0.03 0.21 0.00 0.00 0.00 0.00 46.02 46.47 3hka n GLY 270 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3hka h ASP 271 N 0.00 0.00 -0.31 1.61 3.32 -1.93 0.13 116.42 119.24 3hka h ASP 271 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hka h ASP 271 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3hka h ASP 271 CO 0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 3hka n ALA 272 N -2.02 2.47 -0.78 3.45 0.00 -0.22 -4.32 120.51 119.09 3hka n ALA 272 Ca -0.03 -0.67 0.08 0.00 0.00 0.00 0.00 53.44 52.83 3hka n ALA 272 Cb 0.11 -1.01 0.36 0.00 0.00 0.00 0.00 19.45 18.91 3hka n ALA 272 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hka n GLY 273 N 1.18 3.04 3.87 0.00 0.00 0.03 -4.85 105.19 108.46 3hka n GLY 273 Ca 0.15 -0.90 -0.34 0.00 0.00 0.00 0.00 46.02 44.94 3hka n GLY 273 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hka s ASP 274 N -1.00 6.63 0.17 1.61 1.01 -1.26 -0.49 116.67 123.34 3hka s ASP 274 Ca 0.51 0.80 0.01 0.00 0.71 0.00 0.00 52.55 54.57 3hka s ASP 274 Cb 0.36 -2.18 0.01 0.00 1.01 0.00 0.00 42.92 42.12 3hka s ASP 274 CO 0.19 0.12 0.05 0.33 0.21 0.00 0.00 175.17 176.07 3hka n PHE 275 N 0.65 -0.24 -4.19 4.23 7.35 0.52 -4.92 117.46 120.86 3hka n PHE 275 Ca -0.06 -0.80 -0.13 0.00 -0.76 0.00 0.00 57.45 55.69 3hka n PHE 275 Cb 0.52 -0.13 -0.10 0.00 0.35 0.00 0.00 39.48 40.12 3hka n PHE 275 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 3hka s VAL 276 N -1.32 0.92 -0.07 -2.13 0.11 -1.26 -1.27 120.40 115.37 3hka s VAL 276 Ca 0.04 -1.78 -0.26 0.00 -2.93 0.00 0.00 61.98 57.05 3hka s VAL 276 Cb -0.00 -1.51 0.06 0.00 -1.53 0.00 0.00 36.38 33.39 3hka s VAL 276 CO 0.03 -0.67 0.59 -0.83 -3.33 0.00 0.00 175.10 170.89 3hka s GLY 277 N -2.71 -0.47 0.26 6.54 0.00 -0.70 -4.84 107.32 105.40 3hka s GLY 277 Ca 0.09 1.18 -0.30 0.00 0.00 0.00 0.00 44.72 45.69 3hka s GLY 277 CO -0.01 0.87 1.10 1.25 0.00 0.00 0.00 173.10 176.31 3hka s LYS 278 N -0.97 4.63 0.33 2.90 2.20 -1.26 -4.43 119.74 123.14 3hka s LYS 278 Ca -0.10 1.80 0.08 0.00 -0.36 0.00 0.00 55.97 57.39 3hka s LYS 278 Cb -0.02 -3.20 -0.04 0.00 -1.51 0.00 0.00 37.83 33.06 3hka s LYS 278 CO 0.07 0.19 0.19 0.00 -0.36 0.00 0.00 175.35 175.44 3hka s ALA 279 N -1.01 3.61 0.43 3.13 0.00 -1.26 -4.77 121.76 121.90 3hka s ALA 279 Ca 0.45 -1.72 -0.20 0.00 0.00 0.00 0.00 51.96 50.50 3hka s ALA 279 Cb -0.32 -0.95 -0.10 0.00 0.00 0.00 0.00 23.12 21.75 3hka s ALA 279 CO 0.40 0.06 0.94 0.45 0.00 0.00 0.00 175.76 177.61 3hka s SER 280 N -3.89 6.88 0.00 0.00 0.15 -1.26 -4.95 113.70 110.63 3hka s SER 280 Ca 0.38 1.64 0.25 0.00 0.70 0.00 0.00 55.95 58.92 3hka s SER 280 Cb -0.04 -2.52 0.55 0.00 -1.71 0.00 0.00 66.02 62.30 3hka s SER 280 CO 0.24 -0.38 1.44 0.23 1.20 0.00 0.00 173.24 175.97 3hka n MET 281 N -0.76 0.68 -0.25 5.44 2.81 -1.26 -4.45 117.12 119.33 3hka n MET 281 Ca 0.07 -0.44 0.05 0.00 -1.81 0.00 0.00 57.70 55.56 3hka n MET 281 Cb 0.54 -1.49 0.18 0.00 -0.71 0.00 0.00 33.22 31.74 3hka n MET 281 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 3hka h ASP 282 N 1.07 0.28 -0.36 7.83 5.19 -1.93 0.41 116.42 128.90 3hka h ASP 282 Ca 0.00 0.10 -0.14 0.00 -0.62 0.00 0.00 57.03 56.38 3hka h ASP 282 Cb 0.54 0.08 -0.01 0.00 0.18 0.00 0.00 39.33 40.12 3hka h ASP 282 CO 0.00 0.11 -0.30 1.23 -3.12 0.00 0.00 179.24 177.16 3hka h GLY 283 N 0.44 0.96 1.00 2.75 0.00 -1.78 -0.82 103.07 105.63 3hka h GLY 283 Ca 0.40 -0.90 -0.13 0.00 0.00 0.00 0.00 47.33 46.70 3hka h GLY 283 CO -0.39 0.82 -0.30 -2.08 0.00 0.00 0.00 176.54 174.59 3hka h VAL 284 N 0.75 1.30 -0.26 4.60 2.07 -1.70 -1.72 116.25 121.29 3hka h VAL 284 Ca 0.08 -1.47 0.01 0.00 0.82 0.00 0.00 66.70 66.15 3hka h VAL 284 Cb 0.86 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 3hka h VAL 284 CO 0.08 0.47 0.13 -0.08 0.02 0.00 0.00 177.57 178.19 3hka h GLU 285 N 0.50 0.27 0.07 1.57 4.81 -0.86 -1.32 114.58 119.62 3hka h GLU 285 Ca 0.05 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.28 3hka h GLU 285 Cb 0.87 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.17 3hka h GLU 285 CO 0.07 0.18 -0.13 1.25 -0.73 0.00 0.00 179.01 179.65 3hka h HIS 286 N 0.28 -0.34 -0.35 0.92 2.76 -1.07 -1.06 115.15 116.29 3hka h HIS 286 Ca 0.10 0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.34 3hka h HIS 286 Cb 0.02 0.14 -0.05 0.00 1.55 0.00 0.00 27.41 29.07 3hka h HIS 286 CO -0.09 -0.20 0.05 -0.07 -1.30 0.00 0.00 177.93 176.32 3hka h LEU 287 N -0.26 -0.04 -0.36 0.26 3.38 -1.08 0.13 115.31 117.34 3hka h LEU 287 Ca 0.02 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3hka h LEU 287 Cb 0.28 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 3hka h LEU 287 CO -0.08 0.01 0.22 -0.07 0.09 0.00 0.00 178.44 178.62 3hka h LEU 288 N 0.16 0.43 -0.13 1.67 3.38 -1.06 -1.01 115.31 118.75 3hka h LEU 288 Ca 0.17 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 3hka h LEU 288 Cb 0.21 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 3hka h LEU 288 CO -0.24 0.35 -0.19 -0.09 0.09 0.00 0.00 178.44 178.36 3hka h ARG 289 N 0.48 0.36 0.00 1.13 2.43 -0.86 -3.32 114.38 114.60 3hka h ARG 289 Ca 0.13 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 3hka h ARG 289 Cb -0.01 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 3hka h ARG 289 CO -0.03 0.79 -0.12 0.93 -1.51 0.00 0.00 179.97 180.03 3hka h GLU 290 N -0.04 0.00 -2.22 0.20 4.39 -0.77 -3.35 114.58 112.79 3hka h GLU 290 Ca 0.01 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.14 3hka h GLU 290 Cb 0.75 0.00 -0.42 0.00 -0.10 0.00 0.00 28.75 28.99 3hka h GLU 290 CO 0.04 0.00 -0.73 0.66 -1.16 0.00 0.00 179.01 177.82 3hka n TYR 291 N -2.34 3.27 0.30 4.33 4.01 -0.38 -4.90 117.16 121.44 3hka n TYR 291 Ca 0.05 -3.98 0.19 0.00 -0.16 0.00 0.00 57.90 53.99 3hka n TYR 291 Cb 0.45 -0.49 0.99 0.00 -0.31 0.00 0.00 39.34 39.98 3hka n TYR 291 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3hka h PRO 292 N 3.21 0.00 -0.08 -0.72 0.13 -1.71 -0.98 132.00 131.85 3hka h PRO 292 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3hka h PRO 292 Cb 0.61 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.74 3hka h PRO 292 CO 0.76 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.62 3hka n ASN 293 N -3.31 1.76 -4.70 1.44 5.03 -1.26 -4.86 115.26 109.36 3hka n ASN 293 Ca -0.01 -1.63 -0.28 0.00 0.87 0.00 0.00 54.58 53.53 3hka n ASN 293 Cb 0.22 -0.04 -0.07 0.00 -1.02 0.00 0.00 39.78 38.86 3hka n ASN 293 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 3hka s ASN 294 N -1.84 5.03 -0.07 6.41 -0.87 -0.37 -4.78 114.94 118.44 3hka s ASN 294 Ca 0.35 -0.25 0.00 0.00 -1.57 0.00 0.00 52.86 51.40 3hka s ASN 294 Cb 0.20 -1.18 -0.03 0.00 -0.02 0.00 0.00 41.25 40.22 3hka s ASN 294 CO 0.31 0.12 -0.06 -0.54 -2.57 0.00 0.00 177.10 174.36 3hka s LYS 295 N -2.70 2.78 -0.07 -0.60 1.02 -1.26 -4.85 119.74 114.05 3hka s LYS 295 Ca 0.27 -0.53 0.02 0.00 0.02 0.00 0.00 55.97 55.75 3hka s LYS 295 Cb -0.10 -2.62 0.01 0.00 -0.52 0.00 0.00 37.83 34.60 3hka s LYS 295 CO 0.19 0.67 -0.12 -0.06 -0.92 0.00 0.00 175.35 175.12 3hka s PHE 296 N -0.83 1.46 -0.20 3.18 0.08 -0.02 -1.09 117.98 120.57 3hka s PHE 296 Ca 0.13 -0.57 -0.06 0.00 0.12 0.00 0.00 56.93 56.55 3hka s PHE 296 Cb -0.11 -1.09 -0.03 0.00 -0.57 0.00 0.00 43.02 41.22 3hka s PHE 296 CO 0.02 -0.31 0.04 -0.51 -0.10 0.00 0.00 175.22 174.36 3hka s LEU 297 N 0.79 3.53 0.00 -0.37 1.43 -0.35 -0.92 118.68 122.79 3hka s LEU 297 Ca -0.12 -0.07 0.03 0.00 -1.03 0.00 0.00 54.13 52.93 3hka s LEU 297 Cb -0.15 -1.90 -0.01 0.00 0.03 0.00 0.00 46.19 44.16 3hka s LEU 297 CO 0.02 0.10 -0.08 -0.69 0.23 0.00 0.00 176.35 175.93 3hka s VAL 298 N 0.78 0.64 -0.01 -1.59 1.01 -0.49 -0.08 120.40 120.65 3hka s VAL 298 Ca 0.02 -0.47 -0.03 0.00 0.00 0.00 0.00 61.98 61.50 3hka s VAL 298 Cb -0.14 -0.56 0.00 0.00 0.00 0.00 0.00 36.38 35.68 3hka s VAL 298 CO 0.02 0.09 0.06 0.28 0.00 0.00 0.00 175.10 175.55 3hka s THR 299 N -0.37 0.03 0.12 3.92 -1.32 -0.94 -1.68 115.64 115.40 3hka s THR 299 Ca 0.01 -0.23 0.09 0.00 -1.21 0.00 0.00 61.69 60.36 3hka s THR 299 Cb -0.04 -0.17 -0.04 0.00 -1.51 0.00 0.00 72.50 70.74 3hka s THR 299 CO -0.00 -0.13 -0.22 -0.04 -2.21 0.00 0.00 174.62 172.02 3hka s MET 300 N -0.37 1.22 0.02 7.08 -1.94 -1.26 -1.93 119.30 122.11 3hka s MET 300 Ca -0.04 -1.25 0.10 0.00 -1.71 0.00 0.00 55.69 52.79 3hka s MET 300 Cb -0.03 -1.52 -0.22 0.00 2.01 0.00 0.00 34.83 35.07 3hka s MET 300 CO 0.00 0.35 0.89 1.25 -0.01 0.00 0.00 175.02 177.49 3hka h LEU 301 N 3.89 0.00 -9.59 -0.03 5.85 -1.18 -3.42 115.31 110.83 3hka h LEU 301 Ca -0.47 -0.01 -0.52 0.00 0.84 0.00 0.00 57.88 57.73 3hka h LEU 301 Cb 1.18 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.20 3hka h LEU 301 CO 0.41 1.01 0.38 -0.55 -0.34 0.00 0.00 178.44 179.35 3hka s SER 302 N -6.32 7.46 0.34 1.25 0.15 -1.26 -4.55 113.70 110.76 3hka s SER 302 Ca -0.03 1.86 0.02 0.00 0.70 0.00 0.00 55.95 58.50 3hka s SER 302 Cb 0.09 -2.59 0.61 0.00 -1.71 0.00 0.00 66.02 62.42 3hka s SER 302 CO 0.82 -0.09 1.98 -0.09 1.20 0.00 0.00 173.24 177.06 3hka h ARG 303 N 5.45 0.88 0.00 5.44 2.43 -1.95 -2.31 114.38 124.32 3hka h ARG 303 Ca -0.43 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 3hka h ARG 303 Cb 1.21 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.56 3hka h ARG 303 CO 0.72 0.58 0.00 0.39 -1.51 0.00 0.00 179.97 180.15 3hka n GLU 304 N -4.45 0.25 0.00 0.20 4.71 -1.26 -2.60 120.64 117.50 3hka n GLU 304 Ca 0.09 0.11 0.10 0.00 -0.01 0.00 0.00 57.16 57.45 3hka n GLU 304 Cb 0.10 -1.50 -0.07 0.00 -1.01 0.00 0.00 31.44 28.96 3hka n GLU 304 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3hka n ASN 305 N -1.29 0.96 0.01 1.62 5.03 -0.87 -4.67 115.26 116.04 3hka n ASN 305 Ca 0.09 -0.92 -0.12 0.00 0.87 0.00 0.00 54.58 54.50 3hka n ASN 305 Cb 0.15 0.89 -0.07 0.00 -1.02 0.00 0.00 39.78 39.73 3hka n ASN 305 CO 0.00 0.00 0.00 1.56 -1.83 0.00 0.00 177.26 176.99 3hka h GLN 306 N 0.06 0.06 -0.31 3.52 1.08 -1.57 -1.89 115.11 116.07 3hka h GLN 306 Ca 0.00 -0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.17 3hka h GLN 306 Cb 0.51 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.91 3hka h GLN 306 CO 0.00 0.19 0.11 1.25 -0.95 0.00 0.00 178.83 179.43 3hka h HIS 307 N -0.09 0.48 0.00 2.96 2.76 -1.83 -2.43 115.15 116.99 3hka h HIS 307 Ca 0.01 -0.04 -0.05 0.00 -2.20 0.00 0.00 60.37 58.09 3hka h HIS 307 Cb 0.15 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 28.97 3hka h HIS 307 CO -0.02 0.47 -0.25 1.05 -1.30 0.00 0.00 177.93 177.89 3hka h GLU 308 N 0.34 0.00 -0.62 5.26 4.11 -1.85 -1.90 114.58 119.92 3hka h GLU 308 Ca 0.10 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.43 3hka h GLU 308 Cb 0.21 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 3hka h GLU 308 CO -0.01 0.25 0.01 1.25 0.07 0.00 0.00 179.01 180.58 3hka h LEU 309 N 0.00 1.06 -0.31 3.06 5.85 -1.03 -0.87 115.31 123.07 3hka h LEU 309 Ca -0.00 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.41 3hka h LEU 309 Cb 0.53 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 3hka h LEU 309 CO 0.03 1.10 0.15 0.58 -0.34 0.00 0.00 178.44 179.96 3hka h VAL 310 N 0.99 1.15 -0.75 1.05 2.07 -0.90 -1.91 116.25 117.95 3hka h VAL 310 Ca 0.18 -0.43 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 3hka h VAL 310 Cb 0.55 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 3hka h VAL 310 CO 0.03 0.16 0.46 0.58 0.02 0.00 0.00 177.57 178.82 3hka h VAL 311 N 0.37 1.20 -0.51 2.57 2.07 -1.10 -1.59 116.25 119.27 3hka h VAL 311 Ca 0.11 -0.43 -0.06 0.00 0.82 0.00 0.00 66.70 67.13 3hka h VAL 311 Cb 0.11 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.00 3hka h VAL 311 CO -0.01 0.21 0.07 0.25 0.02 0.00 0.00 177.57 178.11 3hka h LEU 312 N 1.02 0.75 -1.50 2.57 5.85 -0.76 -1.67 115.31 121.58 3hka h LEU 312 Ca 0.27 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 3hka h LEU 312 Cb -0.06 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.76 3hka h LEU 312 CO -0.05 0.78 -0.13 0.00 -0.34 0.00 0.00 178.44 178.70 3hka h ALA 313 N 1.32 1.59 0.00 1.25 0.00 -0.51 -0.44 119.26 122.46 3hka h ALA 313 Ca 0.16 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3hka h ALA 313 Cb 0.36 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3hka h ALA 313 CO 0.01 0.30 -0.24 0.00 0.00 0.00 0.00 179.25 179.32 3hka h ARG 314 N 0.16 0.00 0.11 0.00 3.08 -0.85 -3.10 114.38 113.78 3hka h ARG 314 Ca 0.03 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.79 3hka h ARG 314 Cb 0.33 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 3hka h ARG 314 CO 0.02 0.24 -1.41 0.87 -1.07 0.00 0.00 179.97 178.61 3hka h LYS 315 N 0.00 0.23 -4.48 0.04 1.79 -0.89 -3.46 116.57 109.80 3hka h LYS 315 Ca -0.00 -0.40 -0.56 0.00 -2.18 0.00 0.00 60.65 57.51 3hka h LYS 315 Cb 0.48 0.15 -0.36 0.00 -1.58 0.00 0.00 32.23 30.92 3hka h LYS 315 CO 0.03 1.12 -0.82 -0.06 -1.08 0.00 0.00 179.45 178.64 3hka s PHE 316 N -2.63 1.77 -0.75 -1.35 0.08 -0.85 -4.99 117.98 109.25 3hka s PHE 316 Ca -0.07 -0.89 0.25 0.00 0.12 0.00 0.00 56.93 56.34 3hka s PHE 316 Cb 0.07 -1.36 0.92 0.00 -0.57 0.00 0.00 43.02 42.08 3hka s PHE 316 CO 0.86 -0.53 1.76 -1.13 -0.10 0.00 0.00 175.22 176.08 3hka n SER 317 N 4.64 0.53 -0.72 1.36 3.41 -1.26 -2.42 113.62 119.16 3hka n SER 317 Ca -0.16 0.58 0.04 0.00 -0.26 0.00 0.00 58.87 59.07 3hka n SER 317 Cb 0.50 -0.71 0.15 0.00 -0.26 0.00 0.00 64.21 63.89 3hka n SER 317 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3hka n ASN 318 N -2.02 2.03 -4.30 4.04 6.94 -1.26 -4.72 115.26 115.97 3hka n ASN 318 Ca 0.05 -2.11 -0.33 0.00 -0.02 0.00 0.00 54.58 52.17 3hka n ASN 318 Cb 0.33 -0.31 -0.15 0.00 -2.36 0.00 0.00 39.78 37.29 3hka n ASN 318 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 3hka s LEU 319 N -1.04 2.61 -0.16 -4.53 2.96 -1.02 -0.84 118.68 116.65 3hka s LEU 319 Ca 0.21 -0.42 0.01 0.00 -0.22 0.00 0.00 54.13 53.71 3hka s LEU 319 Cb 0.13 -1.60 0.03 0.00 0.50 0.00 0.00 46.19 45.24 3hka s LEU 319 CO 0.12 0.09 -0.14 -0.32 -1.32 0.00 0.00 176.35 174.78 3hka s MET 320 N 0.78 2.31 0.06 1.98 -2.45 -0.10 -4.93 119.30 116.95 3hka s MET 320 Ca -0.05 -0.64 -0.09 0.00 -1.25 0.00 0.00 55.69 53.65 3hka s MET 320 Cb -0.15 -2.22 -0.05 0.00 1.25 0.00 0.00 34.83 33.66 3hka s MET 320 CO 0.01 -0.27 0.37 0.96 1.05 0.00 0.00 175.02 177.13 3hka s ILE 321 N 1.45 5.15 0.00 10.11 -4.36 -1.26 -1.39 121.20 130.90 3hka s ILE 321 Ca 0.04 0.39 -0.02 0.00 -0.26 0.00 0.00 60.65 60.80 3hka s ILE 321 Cb -0.14 -3.63 -0.01 0.00 1.25 0.00 0.00 42.46 39.94 3hka s ILE 321 CO -0.10 0.32 0.04 0.72 0.24 0.00 0.00 174.94 176.16 3hka s PHE 322 N -1.36 0.11 0.37 1.37 -0.12 -0.67 -2.08 117.98 115.60 3hka s PHE 322 Ca 0.31 -0.23 0.00 0.00 -0.05 0.00 0.00 56.93 56.96 3hka s PHE 322 Cb -0.14 -0.09 0.00 0.00 -0.63 0.00 0.00 43.02 42.16 3hka s PHE 322 CO 0.17 -0.17 0.00 0.41 -0.05 0.00 0.00 175.22 175.58 3hka n GLY 323 N 1.97 -2.01 2.94 1.99 0.00 0.39 -4.39 105.19 106.07 3hka n GLY 323 Ca -0.20 -0.95 -0.30 0.00 0.00 0.00 0.00 46.02 44.57 3hka n GLY 323 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hka s TRP 325 N -0.33 3.10 0.00 0.00 -0.00 -1.26 -3.22 118.94 117.23 3hka s TRP 325 Ca 0.17 1.09 0.00 0.00 -0.00 0.00 0.00 56.10 57.37 3hka s TRP 325 Cb -0.25 -3.50 0.00 0.00 -0.00 0.00 0.00 33.47 29.72 3hka s TRP 325 CO -0.01 -1.68 0.00 1.87 -0.00 0.00 0.00 176.95 177.13 3hka n TRP 326 N 5.15 0.00 0.55 5.86 -0.00 -1.26 -0.63 117.44 127.11 3hka n TRP 326 Ca 0.11 0.00 0.06 0.00 -0.00 0.00 0.00 57.50 57.68 3hka n TRP 326 Cb 0.45 0.00 0.31 0.00 -0.00 0.00 0.00 31.31 32.07 3hka n TRP 326 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 177.69 178.88 3hka n PHE 327 N 0.00 0.00 0.69 5.87 3.72 -1.26 -0.88 117.46 125.60 3hka n PHE 327 Ca 0.00 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.51 3hka n PHE 327 Cb 0.00 -0.38 0.05 0.00 -0.94 0.00 0.00 39.48 38.21 3hka n PHE 327 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 3hka n MET 328 N -1.38 0.21 -1.25 -1.08 2.81 0.19 -4.56 117.12 112.07 3hka n MET 328 Ca 0.05 -0.00 -0.24 0.00 -1.81 0.00 0.00 57.70 55.70 3hka n MET 328 Cb 0.12 -1.57 -0.10 0.00 -0.71 0.00 0.00 33.22 30.97 3hka n MET 328 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 3hka n ASN 329 N -1.84 6.63 -4.13 7.83 5.15 -0.06 -3.54 115.26 125.30 3hka n ASN 329 Ca 0.03 -2.68 -0.22 0.00 -0.60 0.00 0.00 54.58 51.10 3hka n ASN 329 Cb 0.41 -1.42 -0.15 0.00 -0.53 0.00 0.00 39.78 38.09 3hka n ASN 329 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 3hka s ASN 330 N 1.63 1.77 0.30 1.20 0.01 -1.26 -4.98 114.94 113.60 3hka s ASN 330 Ca 0.65 -0.33 0.01 0.00 -0.71 0.00 0.00 52.86 52.48 3hka s ASN 330 Cb 0.28 -0.17 0.71 0.00 0.41 0.00 0.00 41.25 42.47 3hka s ASN 330 CO -0.06 0.15 1.59 -0.65 -1.51 0.00 0.00 177.10 176.61 3hka h PRO 331 N 5.52 0.04 -0.81 -0.60 0.11 -1.97 0.23 132.00 134.52 3hka h PRO 331 Ca -0.36 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.73 3hka h PRO 331 Cb 1.16 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.23 3hka h PRO 331 CO 0.47 0.03 0.45 1.49 -0.21 0.00 0.00 178.00 180.23 3hka h GLU 332 N 0.04 1.12 0.05 1.05 4.57 -1.97 -1.66 114.58 117.78 3hka h GLU 332 Ca 0.57 -0.13 -0.12 0.00 -1.18 0.00 0.00 59.36 58.50 3hka h GLU 332 Cb 1.15 -0.22 0.01 0.00 -0.16 0.00 0.00 28.75 29.53 3hka h GLU 332 CO -0.86 0.82 -0.52 0.82 -1.18 0.00 0.00 179.01 178.09 3hka h ILE 333 N 1.12 1.53 -0.80 2.32 1.08 -1.28 -2.99 117.51 118.48 3hka h ILE 333 Ca 0.29 -2.24 0.13 0.00 -0.39 0.00 0.00 64.86 62.64 3hka h ILE 333 Cb 0.02 2.95 -0.09 0.00 -3.07 0.00 0.00 36.82 36.64 3hka h ILE 333 CO -0.05 0.63 0.41 0.40 -0.69 0.00 0.00 178.15 178.85 3hka h ILE 334 N -0.41 0.78 0.12 -0.67 2.04 -0.60 0.33 117.51 119.09 3hka h ILE 334 Ca -0.08 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 3hka h ILE 334 Cb 1.32 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 3hka h ILE 334 CO 0.10 0.11 -0.06 -1.13 0.00 0.00 0.00 178.15 177.18 3hka h ASN 335 N 0.63 -0.14 -0.62 1.72 -1.24 -1.37 -0.83 115.58 113.73 3hka h ASN 335 Ca 0.42 -0.16 -0.07 0.00 0.71 0.00 0.00 56.30 57.21 3hka h ASN 335 Cb 0.54 0.04 -0.03 0.00 0.73 0.00 0.00 38.32 39.60 3hka h ASN 335 CO -0.33 0.08 0.12 1.05 -1.29 0.00 0.00 177.43 177.06 3hka h GLU 336 N -0.35 1.04 0.01 6.67 4.11 -1.29 -2.04 114.58 122.73 3hka h GLU 336 Ca -0.02 -0.26 -0.00 0.00 0.07 0.00 0.00 59.36 59.16 3hka h GLU 336 Cb 0.29 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.40 3hka h GLU 336 CO 0.03 0.94 -0.01 0.52 0.07 0.00 0.00 179.01 180.56 3hka h MET 337 N 0.98 -0.01 -0.72 1.06 2.86 -0.91 -1.46 114.93 116.72 3hka h MET 337 Ca 0.20 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.85 3hka h MET 337 Cb 0.40 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.02 3hka h MET 337 CO 0.01 0.23 0.47 1.15 1.06 0.00 0.00 176.91 179.83 3hka h THR 338 N -0.25 1.19 -0.25 2.22 2.02 -1.09 -0.56 112.91 116.18 3hka h THR 338 Ca -0.00 -0.34 -0.18 0.00 0.77 0.00 0.00 66.41 66.66 3hka h THR 338 Cb 0.25 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.79 3hka h THR 338 CO 0.00 0.18 -0.55 0.03 0.37 0.00 0.00 175.52 175.56 3hka h ARG 339 N 0.98 0.81 -0.59 6.66 3.08 -1.26 -1.95 114.38 122.10 3hka h ARG 339 Ca 0.26 -0.54 -0.06 0.00 0.07 0.00 0.00 59.98 59.72 3hka h ARG 339 Cb -0.11 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 3hka h ARG 339 CO -0.06 1.17 0.14 0.52 -1.07 0.00 0.00 179.97 180.67 3hka h MET 340 N 0.56 0.95 -0.05 0.04 2.86 -0.85 -1.75 114.93 116.70 3hka h MET 340 Ca 0.00 -0.23 -0.00 0.00 -2.06 0.00 0.00 59.70 57.41 3hka h MET 340 Cb 1.16 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.69 3hka h MET 340 CO 0.12 0.88 0.03 0.00 1.06 0.00 0.00 176.91 179.00 3hka h ARG 341 N 0.86 0.07 -0.38 1.72 3.08 -1.09 -2.37 114.38 116.27 3hka h ARG 341 Ca 0.18 -0.01 -0.10 0.00 0.07 0.00 0.00 59.98 60.13 3hka h ARG 341 Cb 0.36 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 3hka h ARG 341 CO 0.00 0.13 -0.18 1.98 -1.07 0.00 0.00 179.97 180.84 3hka h MET 342 N -0.01 0.72 -0.15 0.04 4.05 -1.31 0.45 114.93 118.71 3hka h MET 342 Ca 0.02 -0.26 -0.06 0.00 -0.28 0.00 0.00 59.70 59.12 3hka h MET 342 Cb 0.08 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 30.82 3hka h MET 342 CO -0.00 0.85 -0.17 0.93 0.23 0.00 0.00 176.91 178.74 3hka h GLU 343 N 0.64 0.25 0.00 0.39 5.08 -1.20 0.19 114.58 119.93 3hka h GLU 343 Ca 0.10 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3hka h GLU 343 Cb 0.65 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.87 3hka h GLU 343 CO 0.05 0.43 -1.21 -1.33 -1.00 0.00 0.00 179.01 175.94 3hka n MET 344 N -4.23 1.13 0.00 2.33 2.81 -0.90 -4.63 117.12 113.63 3hka n MET 344 Ca -0.01 -0.07 0.00 0.00 -1.81 0.00 0.00 57.70 55.81 3hka n MET 344 Cb 0.31 -1.33 0.00 0.00 -0.71 0.00 0.00 33.22 31.49 3hka n MET 344 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3hka n LEU 345 N -1.70 0.62 0.00 4.03 4.77 0.16 -4.90 117.00 119.98 3hka n LEU 345 Ca 0.00 -0.66 0.00 0.00 -0.03 0.00 0.00 56.01 55.33 3hka n LEU 345 Cb 0.34 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 3hka n LEU 345 CO 0.34 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 3hka n GLY 346 N 0.08 3.82 0.67 -0.72 0.00 0.67 -1.35 105.19 108.36 3hka n GLY 346 Ca 0.00 0.10 0.06 0.00 0.00 0.00 0.00 46.02 46.17 3hka n GLY 346 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hka n THR 347 N 0.00 1.04 -1.20 2.61 -2.24 -1.26 -4.25 114.28 108.97 3hka n THR 347 Ca 0.00 -1.02 -0.21 0.00 -2.27 0.00 0.00 64.05 60.55 3hka n THR 347 Cb 0.00 0.48 -0.12 0.00 -2.10 0.00 0.00 70.33 68.59 3hka n THR 347 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3hka n SER 348 N 0.52 6.24 -3.62 3.42 3.41 -0.46 -4.72 113.62 118.42 3hka n SER 348 Ca 0.12 -2.67 -0.09 0.00 -0.26 0.00 0.00 58.87 55.98 3hka n SER 348 Cb 0.44 -1.41 -0.02 0.00 -0.26 0.00 0.00 64.21 62.97 3hka n SER 348 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3hka s PHE 349 N 0.58 0.13 -0.43 7.33 -0.12 -1.26 -4.83 117.98 119.38 3hka s PHE 349 Ca 0.65 -0.60 -0.02 0.00 -0.05 0.00 0.00 56.93 56.92 3hka s PHE 349 Cb 0.30 0.54 0.12 0.00 -0.63 0.00 0.00 43.02 43.35 3hka s PHE 349 CO -0.06 -1.25 0.22 0.42 -0.05 0.00 0.00 175.22 174.50 3hka s ILE 350 N -3.49 3.17 0.41 -4.49 1.01 -0.88 -4.67 121.20 112.26 3hka s ILE 350 Ca 0.17 -2.27 0.15 0.00 0.00 0.00 0.00 60.65 58.70 3hka s ILE 350 Cb -0.04 -3.18 0.36 0.00 0.01 0.00 0.00 42.46 39.61 3hka s ILE 350 CO 0.10 -0.71 1.88 1.55 0.00 0.00 0.00 174.94 177.76 3hka h PRO 351 N 7.79 0.46 -3.17 2.79 0.13 -1.85 0.11 132.00 138.25 3hka h PRO 351 Ca -0.10 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 64.97 3hka h PRO 351 Cb 1.02 -0.10 -0.12 0.00 0.13 0.00 0.00 31.00 31.93 3hka h PRO 351 CO 0.67 0.30 0.09 -1.14 -0.23 0.00 0.00 178.00 177.69 3hka s GLN 352 N -5.47 1.19 0.06 0.86 2.00 -1.26 -3.55 119.66 113.48 3hka s GLN 352 Ca -0.08 -0.58 -0.06 0.00 -2.00 0.00 0.00 55.36 52.64 3hka s GLN 352 Cb 0.22 0.54 -0.01 0.00 0.80 0.00 0.00 33.01 34.55 3hka s GLN 352 CO 0.78 -0.50 0.11 -3.38 -0.50 0.00 0.00 175.29 171.80 3hka s HIS 353 N -3.77 0.23 -0.07 1.67 -3.43 -1.26 -4.63 115.29 104.03 3hka s HIS 353 Ca 0.02 -0.61 -0.01 0.00 -0.80 0.00 0.00 55.06 53.66 3hka s HIS 353 Cb 0.00 -0.15 -0.26 0.00 -1.43 0.00 0.00 32.58 30.74 3hka s HIS 353 CO -0.13 -0.43 0.56 0.66 -2.00 0.00 0.00 174.74 173.40 3hka h SER 354 N 3.27 0.30 -0.83 7.38 4.64 -1.92 -3.44 113.55 122.94 3hka h SER 354 Ca -0.33 -0.61 -0.30 0.00 -0.47 0.00 0.00 61.79 60.08 3hka h SER 354 Cb 1.18 -0.10 -0.11 0.00 -0.31 0.00 0.00 62.40 63.07 3hka h SER 354 CO 0.55 1.54 -0.28 -0.67 -0.87 0.00 0.00 176.83 177.09 3hka n ASP 355 N -3.36 -4.72 -4.67 4.97 4.64 -0.20 -4.90 116.55 108.31 3hka n ASP 355 Ca -0.24 0.32 -0.46 0.00 -1.38 0.00 0.00 54.79 53.03 3hka n ASP 355 Cb 1.05 -3.54 -0.04 0.00 -1.04 0.00 0.00 41.12 37.55 3hka n ASP 355 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3hka n ALA 356 N 0.97 1.28 -0.01 -1.67 0.00 -1.26 -4.39 120.51 115.43 3hka n ALA 356 Ca -0.15 0.41 0.08 0.00 0.00 0.00 0.00 53.44 53.78 3hka n ALA 356 Cb 0.49 -2.38 -0.13 0.00 0.00 0.00 0.00 19.45 17.43 3hka n ALA 356 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hka n ARG 357 N 4.07 0.55 -4.65 0.00 1.74 -1.26 -0.13 116.66 116.98 3hka n ARG 357 Ca 0.18 -0.14 -0.29 0.00 -0.77 0.00 0.00 57.85 56.83 3hka n ARG 357 Cb 0.29 -1.39 -0.17 0.00 -1.02 0.00 0.00 32.46 30.17 3hka n ARG 357 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3hka s VAL 358 N -3.11 1.58 0.21 1.55 1.01 -1.26 -4.38 120.40 116.00 3hka s VAL 358 Ca -0.06 -0.71 -0.15 0.00 0.00 0.00 0.00 61.98 61.06 3hka s VAL 358 Cb 0.10 -1.42 0.23 0.00 0.00 0.00 0.00 36.38 35.28 3hka s VAL 358 CO 0.68 0.46 1.38 -0.11 0.00 0.00 0.00 175.10 177.51 3hka n LEU 359 N 3.98 -0.56 0.32 3.92 7.94 0.99 -0.91 117.00 132.68 3hka n LEU 359 Ca -0.20 1.55 0.21 0.00 -1.11 0.00 0.00 56.01 56.46 3hka n LEU 359 Cb 0.52 -0.36 1.06 0.00 0.53 0.00 0.00 43.42 45.16 3hka n LEU 359 CO 0.25 -1.40 1.13 -0.33 -1.11 0.00 0.00 177.39 175.93 3hka h GLU 360 N 0.00 0.00 -0.07 1.96 3.07 -1.94 -2.75 114.58 114.86 3hka h GLU 360 Ca 0.32 0.00 0.02 0.00 -0.50 0.00 0.00 59.36 59.19 3hka h GLU 360 Cb 0.54 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.45 3hka h GLU 360 CO -0.88 0.01 0.14 1.96 -1.40 0.00 0.00 179.01 178.83 3hka h GLN 361 N 0.00 0.00 -0.61 2.33 4.20 -1.43 -0.24 115.11 119.35 3hka h GLN 361 Ca -0.00 0.00 0.09 0.00 0.06 0.00 0.00 58.65 58.80 3hka h GLN 361 Cb 0.14 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.88 3hka h GLN 361 CO 0.00 0.00 0.41 -0.07 -0.67 0.00 0.00 178.83 178.50 3hka h LEU 362 N 0.00 0.41 0.70 1.46 3.38 -1.66 0.13 115.31 119.72 3hka h LEU 362 Ca 0.03 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 3hka h LEU 362 Cb 0.31 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 40.99 3hka h LEU 362 CO -0.00 0.25 -0.34 0.40 0.09 0.00 0.00 178.44 178.85 3hka h ILE 363 N 0.46 0.25 -0.24 1.22 2.04 -1.28 -2.82 117.51 117.14 3hka h ILE 363 Ca 0.28 -0.14 -0.18 0.00 1.00 0.00 0.00 64.86 65.82 3hka h ILE 363 Cb 0.49 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 3hka h ILE 363 CO -0.08 0.02 -0.54 0.10 0.00 0.00 0.00 178.15 177.64 3hka h TYR 364 N -1.04 1.01 -0.27 1.37 -0.00 -1.61 -1.68 116.97 114.75 3hka h TYR 364 Ca -0.10 -0.38 0.06 0.00 0.00 0.00 0.00 58.73 58.31 3hka h TYR 364 Cb 0.74 -0.18 -0.06 0.00 0.00 0.00 0.00 36.73 37.23 3hka h TYR 364 CO -0.01 1.19 -0.09 0.87 -0.00 0.00 0.00 178.16 180.12 3hka h LYS 365 N 0.55 -0.04 -0.01 0.10 1.79 -1.07 0.13 116.57 118.02 3hka h LYS 365 Ca 0.00 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.31 3hka h LYS 365 Cb 1.15 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.80 3hka h LYS 365 CO 0.12 -0.03 -0.76 -1.49 -1.08 0.00 0.00 179.45 176.21 3hka h TRP 366 N -0.04 0.18 -0.00 -1.35 4.06 -1.55 -2.34 115.95 114.90 3hka h TRP 366 Ca 0.13 -0.09 -0.00 0.00 2.06 0.00 0.00 58.89 61.00 3hka h TRP 366 Cb 0.24 -0.02 -0.00 0.00 -1.00 0.00 0.00 29.16 28.38 3hka h TRP 366 CO -0.29 0.84 -0.00 1.25 -3.56 0.00 0.00 178.44 176.68 3hka h HIS 367 N 0.08 0.01 -0.83 0.49 2.76 -0.81 0.62 115.15 117.48 3hka h HIS 367 Ca -0.02 -0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.11 3hka h HIS 367 Cb 1.34 -0.00 -0.04 0.00 1.55 0.00 0.00 27.41 30.26 3hka h HIS 367 CO 0.02 0.40 0.37 0.45 -1.30 0.00 0.00 177.93 177.87 3hka h HIS 368 N -0.38 1.22 -0.02 5.26 3.86 -0.81 -2.70 115.15 121.58 3hka h HIS 368 Ca 0.00 -0.07 -0.23 0.00 -1.16 0.00 0.00 60.37 58.90 3hka h HIS 368 Cb 0.40 -0.37 0.02 0.00 1.06 0.00 0.00 27.41 28.51 3hka h HIS 368 CO 0.06 0.90 -0.90 0.77 0.86 0.00 0.00 177.93 179.62 3hka h SER 369 N 1.19 0.83 -0.85 2.45 0.02 -1.42 -3.20 113.55 112.57 3hka h SER 369 Ca 0.28 -0.73 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 3hka h SER 369 Cb 0.16 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 62.41 3hka h SER 369 CO -0.03 1.44 0.54 0.11 -1.14 0.00 0.00 176.83 177.76 3hka h LYS 370 N 0.29 1.13 -0.85 3.45 1.57 -0.83 0.47 116.57 121.81 3hka h LYS 370 Ca -0.11 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.58 3hka h LYS 370 Cb 1.56 -0.25 -0.04 0.00 0.08 0.00 0.00 32.23 33.58 3hka h LYS 370 CO 0.18 0.76 0.47 0.66 -0.57 0.00 0.00 179.45 180.95 3hka h SER 371 N 1.15 1.06 -0.18 0.86 4.64 -1.56 0.23 113.55 119.75 3hka h SER 371 Ca 0.31 -0.10 -0.05 0.00 -0.47 0.00 0.00 61.79 61.48 3hka h SER 371 Cb -0.10 -0.27 -0.00 0.00 -0.31 0.00 0.00 62.40 61.71 3hka h SER 371 CO -0.06 0.85 -0.10 0.40 -0.87 0.00 0.00 176.83 177.04 3hka h ILE 372 N 1.18 1.32 -0.87 0.95 2.04 -1.42 -2.48 117.51 118.23 3hka h ILE 372 Ca 0.30 -1.18 -0.01 0.00 1.00 0.00 0.00 64.86 64.96 3hka h ILE 372 Cb 0.03 1.72 -0.04 0.00 -0.74 0.00 0.00 36.82 37.78 3hka h ILE 372 CO -0.05 0.35 0.49 0.40 0.00 0.00 0.00 178.15 179.34 3hka h ILE 373 N 0.05 1.25 -0.31 -0.67 2.04 -0.63 -2.12 117.51 117.12 3hka h ILE 373 Ca 0.04 -0.60 0.02 0.00 1.00 0.00 0.00 64.86 65.32 3hka h ILE 373 Cb 0.60 0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 36.71 3hka h ILE 373 CO 0.03 0.28 0.16 0.00 0.00 0.00 0.00 178.15 178.61 3hka h ALA 374 N 1.32 0.38 -0.68 1.87 0.00 -0.48 -1.36 119.26 120.31 3hka h ALA 374 Ca 0.31 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.24 3hka h ALA 374 Cb 0.01 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3hka h ALA 374 CO -0.05 -0.23 0.45 0.93 0.00 0.00 0.00 179.25 180.35 3hka h GLU 375 N 0.32 0.88 -0.32 0.00 4.39 -0.95 -0.20 114.58 118.69 3hka h GLU 375 Ca 0.13 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 3hka h GLU 375 Cb 0.04 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.48 3hka h GLU 375 CO -0.09 0.58 0.20 0.28 -1.16 0.00 0.00 179.01 178.82 3hka h VAL 376 N 0.90 1.11 -0.60 3.13 2.07 -1.05 -1.83 116.25 119.98 3hka h VAL 376 Ca 0.25 -0.25 0.03 0.00 0.82 0.00 0.00 66.70 67.56 3hka h VAL 376 Cb -0.08 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.33 3hka h VAL 376 CO -0.06 0.11 0.35 -0.07 0.02 0.00 0.00 177.57 177.92 3hka h LEU 377 N 0.42 0.56 -0.39 2.57 3.38 -0.80 -0.64 115.31 120.42 3hka h LEU 377 Ca 0.12 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.12 3hka h LEU 377 Cb 0.00 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 3hka h LEU 377 CO -0.02 0.39 0.20 0.40 0.09 0.00 0.00 178.44 179.50 3hka h ILE 378 N 0.69 0.99 -0.42 1.22 2.04 -0.73 0.29 117.51 121.59 3hka h ILE 378 Ca 0.25 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.97 3hka h ILE 378 Cb 0.06 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 3hka h ILE 378 CO -0.12 0.07 0.27 0.44 0.00 0.00 0.00 178.15 178.81 3hka h ASP 379 N 0.41 0.48 -0.48 1.72 3.32 -0.80 0.17 116.42 121.24 3hka h ASP 379 Ca 0.16 -0.03 -0.12 0.00 0.02 0.00 0.00 57.03 57.07 3hka h ASP 379 Cb 0.06 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 3hka h ASP 379 CO -0.11 0.37 -0.16 0.11 -1.72 0.00 0.00 179.24 177.73 3hka h LYS 380 N 0.56 0.95 -0.44 3.56 6.56 -0.68 -0.95 116.57 126.12 3hka h LYS 380 Ca 0.15 -0.38 -0.08 0.00 -1.06 0.00 0.00 60.65 59.28 3hka h LYS 380 Cb -0.05 -0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 31.56 3hka h LYS 380 CO -0.03 1.05 -0.04 1.88 -2.06 0.00 0.00 179.45 180.24 3hka h TYR 381 N 0.79 0.89 -0.89 -1.35 0.05 -0.28 -2.95 116.97 113.24 3hka h TYR 381 Ca 0.12 -0.17 -0.00 0.00 0.05 0.00 0.00 58.73 58.72 3hka h TYR 381 Cb 0.72 -0.23 -0.04 0.00 1.01 0.00 0.00 36.73 38.19 3hka h TYR 381 CO 0.05 0.88 0.55 0.22 -1.05 0.00 0.00 178.16 178.81 3hka h ASP 382 N 0.64 1.06 -0.87 3.88 3.58 -0.53 -0.78 116.42 123.40 3hka h ASP 382 Ca 0.12 -0.06 0.01 0.00 0.42 0.00 0.00 57.03 57.52 3hka h ASP 382 Cb 0.56 -0.27 -0.04 0.00 1.72 0.00 0.00 39.33 41.30 3hka h ASP 382 CO 0.03 0.81 0.57 0.44 -2.88 0.00 0.00 179.24 178.20 3hka h ASP 383 N 1.22 1.01 1.28 2.28 3.32 -1.03 0.21 116.42 124.70 3hka h ASP 383 Ca 0.32 -0.03 -0.14 0.00 0.02 0.00 0.00 57.03 57.20 3hka h ASP 383 Cb -0.07 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.21 3hka h ASP 383 CO -0.06 0.74 -0.65 0.16 -1.72 0.00 0.00 179.24 177.70 3hka h ILE 384 N 1.18 1.15 -0.63 0.35 3.07 -1.29 -2.77 117.51 118.57 3hka h ILE 384 Ca 0.32 -2.55 -0.09 0.00 1.55 0.00 0.00 64.86 64.08 3hka h ILE 384 Cb -0.12 2.52 -0.02 0.00 -0.27 0.00 0.00 36.82 38.93 3hka h ILE 384 CO -0.07 0.64 0.03 -0.07 -1.05 0.00 0.00 178.15 177.63 3hka h LEU 385 N 0.00 1.07 -1.44 0.16 3.38 -0.47 -0.69 115.31 117.32 3hka h LEU 385 Ca -0.01 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.67 3hka h LEU 385 Cb 1.47 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3hka h LEU 385 CO 0.08 1.10 0.00 1.56 0.09 0.00 0.00 178.44 181.28 3hka h GLN 386 N 1.00 0.00 -0.00 1.13 1.08 -0.90 -0.94 115.11 116.48 3hka h GLN 386 Ca 0.18 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.38 3hka h GLN 386 Cb 0.54 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.97 3hka h GLN 386 CO 0.03 0.00 -0.26 0.00 -0.95 0.00 0.00 178.83 177.65 3hka n ALA 387 N -2.00 3.05 0.00 3.87 0.00 -0.58 -4.92 120.51 119.93 3hka n ALA 387 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.12 3hka n ALA 387 Cb 0.25 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.48 3hka n ALA 387 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hka n GLY 388 N 1.38 0.69 3.78 0.00 0.00 -0.36 -5.08 105.19 105.60 3hka n GLY 388 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 3hka n GLY 388 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3hka s TRP 389 N -2.00 3.17 -0.29 1.61 -0.11 -0.37 -4.98 118.94 115.97 3hka s TRP 389 Ca 0.00 1.62 0.02 0.00 1.22 0.00 0.00 56.10 58.96 3hka s TRP 389 Cb 0.00 -3.16 0.07 0.00 -1.50 0.00 0.00 33.47 28.88 3hka s TRP 389 CO 0.00 -0.80 -0.04 -1.21 -4.62 0.00 0.00 176.95 170.28 3hka s GLU 390 N -2.61 2.09 -0.05 5.86 2.02 -1.26 -4.02 118.70 120.72 3hka s GLU 390 Ca 0.60 -1.48 -0.22 0.00 0.02 0.00 0.00 54.97 53.89 3hka s GLU 390 Cb -0.22 -3.05 -0.04 0.00 0.10 0.00 0.00 34.13 30.91 3hka s GLU 390 CO 0.28 -0.69 0.64 0.08 0.02 0.00 0.00 175.26 175.59 3hka s VAL 391 N 1.08 5.02 0.36 2.63 1.01 -1.26 -5.07 120.40 124.17 3hka s VAL 391 Ca -0.03 1.32 -0.03 0.00 0.00 0.00 0.00 61.98 63.23 3hka s VAL 391 Cb -0.20 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 3hka s VAL 391 CO -0.05 0.32 0.61 0.42 0.00 0.00 0.00 175.10 176.40 3hka s THR 392 N 0.46 5.01 0.46 3.92 -4.23 -1.26 -4.33 115.64 115.67 3hka s THR 392 Ca 0.34 -0.06 0.23 0.00 -1.18 0.00 0.00 61.69 61.02 3hka s THR 392 Cb -0.18 -3.81 0.27 0.00 1.34 0.00 0.00 72.50 70.12 3hka s THR 392 CO 0.17 -0.53 2.08 -0.08 -0.54 0.00 0.00 174.62 175.72 3hka h GLU 393 N 1.03 0.00 -0.13 3.99 4.81 -1.99 -1.80 114.58 120.49 3hka h GLU 393 Ca -0.48 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 58.56 3hka h GLU 393 Cb 1.20 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.58 3hka h GLU 393 CO 0.63 0.12 -0.68 0.93 -0.73 0.00 0.00 179.01 179.29 3hka h GLU 394 N 0.00 0.53 -0.36 1.92 4.39 -1.99 -1.58 114.58 117.50 3hka h GLU 394 Ca -0.00 -0.40 -0.13 0.00 0.34 0.00 0.00 59.36 59.17 3hka h GLU 394 Cb 0.27 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 3hka h GLU 394 CO 0.02 1.02 -0.31 0.93 -1.16 0.00 0.00 179.01 179.51 3hka h GLU 395 N 0.38 0.79 -0.44 2.33 5.08 -1.76 -1.31 114.58 119.65 3hka h GLU 395 Ca -0.02 -0.37 -0.01 0.00 -1.00 0.00 0.00 59.36 57.96 3hka h GLU 395 Cb 1.25 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.47 3hka h GLU 395 CO 0.12 0.99 0.22 0.82 -1.00 0.00 0.00 179.01 180.17 3hka h ILE 396 N 0.67 1.17 -0.33 3.13 2.04 -1.21 0.48 117.51 123.46 3hka h ILE 396 Ca 0.07 -0.47 -0.06 0.00 1.00 0.00 0.00 64.86 65.40 3hka h ILE 396 Cb 0.85 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 3hka h ILE 396 CO 0.07 0.19 -0.05 0.11 0.00 0.00 0.00 178.15 178.47 3hka h LYS 397 N 0.57 0.52 -0.05 2.37 1.57 -1.11 -0.94 116.57 119.50 3hka h LYS 397 Ca 0.15 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 3hka h LYS 397 Cb 0.09 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 3hka h LYS 397 CO -0.02 0.59 -0.00 -0.09 -0.57 0.00 0.00 179.45 179.35 3hka h ARG 398 N 0.50 0.10 -0.59 3.15 2.43 -0.74 -1.35 114.38 117.88 3hka h ARG 398 Ca 0.10 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.25 3hka h ARG 398 Cb 0.40 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 3hka h ARG 398 CO 0.02 0.40 0.39 -0.44 -1.51 0.00 0.00 179.97 178.83 3hka h ASP 399 N -0.22 0.67 -0.43 -3.80 3.32 -0.63 -1.01 116.42 114.33 3hka h ASP 399 Ca 0.01 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 3hka h ASP 399 Cb 0.36 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 3hka h ASP 399 CO 0.00 0.48 0.10 0.58 -1.72 0.00 0.00 179.24 178.69 3hka h VAL 400 N 0.79 1.22 -0.53 -1.35 2.07 -1.17 -1.72 116.25 115.57 3hka h VAL 400 Ca 0.22 -0.81 -0.08 0.00 0.82 0.00 0.00 66.70 66.85 3hka h VAL 400 Cb -0.08 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 3hka h VAL 400 CO -0.05 0.30 0.03 0.00 0.02 0.00 0.00 177.57 177.86 3hka h ALA 401 N 1.38 0.72 0.35 1.67 0.00 -0.64 -1.40 119.26 121.33 3hka h ALA 401 Ca 0.16 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3hka h ALA 401 Cb 0.30 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3hka h ALA 401 CO 0.00 0.51 -0.20 -0.44 0.00 0.00 0.00 179.25 179.13 3hka h ASP 402 N 0.80 -0.48 -0.57 0.00 3.32 -0.72 0.15 116.42 118.92 3hka h ASP 402 Ca 0.15 0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.25 3hka h ASP 402 Cb 0.49 0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.15 3hka h ASP 402 CO 0.02 -0.32 0.36 -0.07 -1.72 0.00 0.00 179.24 177.52 3hka h LEU 403 N -0.51 0.61 -0.08 1.55 3.38 -1.26 0.15 115.31 119.16 3hka h LEU 403 Ca -0.04 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3hka h LEU 403 Cb 0.41 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3hka h LEU 403 CO 0.05 0.44 -0.52 0.49 0.09 0.00 0.00 178.44 178.99 3hka n PHE 404 N -4.72 0.00 0.06 1.13 3.72 -0.53 -4.25 117.46 112.87 3hka n PHE 404 Ca 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 3hka n PHE 404 Cb 0.05 -0.20 0.00 0.00 -0.94 0.00 0.00 39.48 38.38 3hka n PHE 404 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3hka n SER 405 N -1.37 -0.98 -0.34 4.37 2.88 -0.20 -1.63 113.62 116.35 3hka n SER 405 Ca 0.06 0.23 -0.03 0.00 -1.33 0.00 0.00 58.87 57.80 3hka n SER 405 Cb 0.34 1.22 0.09 0.00 -0.75 0.00 0.00 64.21 65.11 3hka n SER 405 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 3hka h ARG 406 N 0.00 1.23 -0.99 -1.46 3.08 -0.68 -2.80 114.38 112.76 3hka h ARG 406 Ca 0.00 -0.09 0.06 0.00 0.07 0.00 0.00 59.98 60.01 3hka h ARG 406 Cb 0.00 -0.27 -0.06 0.00 0.08 0.00 0.00 29.97 29.72 3hka h ARG 406 CO 0.00 0.84 0.64 -0.91 -1.07 0.00 0.00 179.97 179.47 3hka h ASN 407 N 1.26 1.03 0.75 7.04 2.35 -0.92 -0.29 115.58 126.81 3hka h ASN 407 Ca 0.33 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 56.05 3hka h ASN 407 Cb -0.10 -0.22 0.01 0.00 0.05 0.00 0.00 38.32 38.06 3hka h ASN 407 CO -0.07 0.67 -0.36 0.15 -1.65 0.00 0.00 177.43 176.18 3hka h PHE 408 N 1.18 -0.93 -0.68 1.19 3.57 -1.72 -1.19 116.94 118.36 3hka h PHE 408 Ca 0.41 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.96 3hka h PHE 408 Cb 0.12 0.31 -0.04 0.00 2.79 0.00 0.00 35.95 39.13 3hka h PHE 408 CO -0.00 -0.57 0.45 -1.49 -2.23 0.00 0.00 178.31 174.47 3hka h TRP 409 N -1.23 0.70 -0.41 0.41 4.06 -1.44 -1.04 115.95 117.01 3hka h TRP 409 Ca -0.10 0.02 -0.04 0.00 2.06 0.00 0.00 58.89 60.83 3hka h TRP 409 Cb 0.78 -0.23 -0.02 0.00 -1.00 0.00 0.00 29.16 28.69 3hka h TRP 409 CO -0.00 0.38 0.11 -0.09 -3.56 0.00 0.00 178.44 175.27 3hka h ARG 410 N 0.70 0.66 -0.25 0.49 2.43 -1.01 0.15 114.38 117.55 3hka h ARG 410 Ca 0.29 -0.15 -0.05 0.00 -0.81 0.00 0.00 59.98 59.26 3hka h ARG 410 Cb 0.26 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 3hka h ARG 410 CO -0.09 0.67 -0.02 0.35 -1.51 0.00 0.00 179.97 179.36 3hka h PHE 411 N 0.53 0.51 0.00 2.20 3.57 -0.15 -3.10 116.94 120.50 3hka h PHE 411 Ca 0.13 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.54 3hka h PHE 411 Cb 0.30 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.91 3hka h PHE 411 CO 0.02 0.64 -0.22 1.33 -2.23 0.00 0.00 178.31 177.84 3hka n VAL 412 N -4.60 0.03 0.00 1.41 0.24 -0.50 -4.96 118.33 109.95 3hka n VAL 412 Ca -0.04 -0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.25 3hka n VAL 412 Cb 0.26 -0.18 0.00 0.00 -1.47 0.00 0.00 33.84 32.45 3hka n VAL 412 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30