#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 -0.45 -3.63 4.38 2.04 -1.26 -4.70 115.26 111.63 3hka n ASN 4 Ca 0.00 -2.25 -0.11 0.00 -0.44 0.00 0.00 54.58 51.78 3hka n ASN 4 Cb 0.00 0.32 -0.07 0.00 -2.53 0.00 0.00 39.78 37.50 3hka n ASN 4 CO 0.00 0.00 0.00 -0.55 -0.44 0.00 0.00 177.26 176.27 3hka s SER 5 N -2.05 -0.52 0.32 0.53 0.15 -1.26 -5.03 113.70 105.83 3hka s SER 5 Ca 0.18 1.00 0.02 0.00 0.70 0.00 0.00 55.95 57.85 3hka s SER 5 Cb 0.41 1.01 0.54 0.00 -1.71 0.00 0.00 66.02 66.27 3hka s SER 5 CO -0.08 -0.18 1.87 -0.09 1.20 0.00 0.00 173.24 175.96 3hka h ARG 6 N 4.34 0.67 0.09 5.44 2.43 -1.98 0.68 114.38 126.04 3hka h ARG 6 Ca -0.28 -0.13 -0.00 0.00 -0.81 0.00 0.00 59.98 58.76 3hka h ARG 6 Cb 1.17 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.62 3hka h ARG 6 CO 0.10 0.62 -0.04 0.93 -1.51 0.00 0.00 179.97 180.07 3hka h GLU 7 N 0.65 -0.11 -0.48 0.20 5.08 -1.99 0.16 114.58 118.08 3hka h GLU 7 Ca 0.15 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.49 3hka h GLU 7 Cb 0.26 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 3hka h GLU 7 CO -0.00 -0.02 0.20 0.28 -1.00 0.00 0.00 179.01 178.47 3hka h VAL 8 N -0.18 1.21 -0.50 3.13 2.07 -1.90 -2.78 116.25 117.31 3hka h VAL 8 Ca -0.01 -0.64 0.04 0.00 0.82 0.00 0.00 66.70 66.91 3hka h VAL 8 Cb 0.14 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 3hka h VAL 8 CO 0.02 0.24 0.27 0.25 0.02 0.00 0.00 177.57 178.37 3hka h LEU 9 N 0.64 0.41 -0.37 2.57 5.85 -0.67 -2.23 115.31 121.51 3hka h LEU 9 Ca 0.16 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.96 3hka h LEU 9 Cb 0.19 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.10 3hka h LEU 9 CO -0.01 0.29 0.07 0.00 -0.34 0.00 0.00 178.44 178.44 3hka h ALA 10 N 1.25 0.39 -0.55 1.25 0.00 -0.41 0.34 119.26 121.54 3hka h ALA 10 Ca 0.21 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 55.10 3hka h ALA 10 Cb 0.09 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3hka h ALA 10 CO -0.13 -0.34 -0.03 1.05 0.00 0.00 0.00 179.25 179.81 3hka h GLU 11 N 0.19 0.99 -0.62 0.00 4.11 -1.29 -0.73 114.58 117.22 3hka h GLU 11 Ca 0.18 -0.33 -0.00 0.00 0.07 0.00 0.00 59.36 59.27 3hka h GLU 11 Cb 0.21 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 3hka h GLU 11 CO -0.24 1.01 0.37 0.87 0.07 0.00 0.00 179.01 181.09 3hka h LYS 12 N 0.87 0.85 -0.13 1.06 1.79 -0.95 -1.34 116.57 118.73 3hka h LYS 12 Ca 0.15 -0.08 -0.05 0.00 -2.18 0.00 0.00 60.65 58.50 3hka h LYS 12 Cb 0.58 -0.18 -0.00 0.00 -1.58 0.00 0.00 32.23 31.05 3hka h LYS 12 CO 0.03 0.61 -0.10 0.28 -1.08 0.00 0.00 179.45 179.19 3hka h VAL 13 N 0.84 1.34 -0.67 0.50 2.07 -0.79 -2.15 116.25 117.40 3hka h VAL 13 Ca 0.22 -1.22 0.04 0.00 0.82 0.00 0.00 66.70 66.56 3hka h VAL 13 Cb -0.02 1.87 -0.05 0.00 -1.52 0.00 0.00 31.29 31.58 3hka h VAL 13 CO -0.04 0.35 0.40 0.11 0.02 0.00 0.00 177.57 178.42 3hka h LYS 14 N -0.08 0.75 -0.53 1.57 1.57 -1.04 -0.80 116.57 118.01 3hka h LYS 14 Ca 0.02 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.68 3hka h LYS 14 Cb 0.61 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 3hka h LYS 14 CO 0.03 0.50 0.04 -0.91 -0.57 0.00 0.00 179.45 178.54 3hka h ASN 15 N 0.78 0.89 -0.50 0.86 2.35 -1.25 0.10 115.58 118.81 3hka h ASN 15 Ca 0.28 -0.29 -0.03 0.00 -0.55 0.00 0.00 56.30 55.71 3hka h ASN 15 Cb 0.07 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 3hka h ASN 15 CO -0.13 0.95 0.21 0.00 -1.65 0.00 0.00 177.43 176.81 3hka h ALA 16 N 0.97 0.65 0.04 -0.83 0.00 -1.05 -0.16 119.26 118.88 3hka h ALA 16 Ca 0.16 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3hka h ALA 16 Cb 0.47 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3hka h ALA 16 CO 0.02 0.25 -0.02 0.28 0.00 0.00 0.00 179.25 179.78 3hka h VAL 17 N 0.67 1.09 -0.45 0.00 2.07 -0.98 -1.63 116.25 117.02 3hka h VAL 17 Ca 0.17 -0.43 0.01 0.00 0.82 0.00 0.00 66.70 67.27 3hka h VAL 17 Cb 0.18 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 3hka h VAL 17 CO -0.01 0.11 0.28 0.78 0.02 0.00 0.00 177.57 178.74 3hka h ASN 18 N -0.24 0.46 0.82 0.57 -0.26 -0.88 -2.81 115.58 113.23 3hka h ASN 18 Ca -0.01 -0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.73 3hka h ASN 18 Cb 0.22 -0.10 0.00 0.00 -1.06 0.00 0.00 38.32 37.38 3hka h ASN 18 CO 0.01 0.33 0.00 0.59 -1.06 0.00 0.00 177.43 177.30 3hka n ASN 19 N -4.81 0.00 -4.64 5.81 3.02 -0.08 -4.80 115.26 109.76 3hka n ASN 19 Ca 0.02 0.27 -0.43 0.00 -0.03 0.00 0.00 54.58 54.41 3hka n ASN 19 Cb 0.05 -0.42 -0.02 0.00 -0.61 0.00 0.00 39.78 38.78 3hka n ASN 19 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 3hka s GLN 20 N -2.84 4.05 0.25 3.52 2.00 -0.62 -4.98 119.66 121.04 3hka s GLN 20 Ca 0.19 1.32 -0.31 0.00 -2.00 0.00 0.00 55.36 54.56 3hka s GLN 20 Cb 0.19 -3.81 -0.12 0.00 0.80 0.00 0.00 33.01 30.08 3hka s GLN 20 CO 0.49 -0.94 1.67 -2.30 -0.50 0.00 0.00 175.29 173.71 3hka n PRO 21 N 6.98 2.77 -3.73 1.67 -0.02 -1.26 -4.94 135.00 136.46 3hka n PRO 21 Ca 0.14 0.99 -0.37 0.00 -2.02 0.00 0.00 63.50 62.24 3hka n PRO 21 Cb 0.46 -2.81 -0.06 0.00 -0.02 0.00 0.00 33.50 31.07 3hka n PRO 21 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3hka s VAL 22 N 0.62 5.33 -0.35 -1.45 1.01 0.20 -4.68 120.40 121.09 3hka s VAL 22 Ca 0.70 0.44 -0.09 0.00 0.00 0.00 0.00 61.98 63.03 3hka s VAL 22 Cb -0.50 -3.52 0.02 0.00 0.00 0.00 0.00 36.38 32.39 3hka s VAL 22 CO 0.40 0.60 0.16 -0.89 0.00 0.00 0.00 175.10 175.36 3hka s THR 23 N -0.99 4.31 -0.75 3.92 2.01 -0.67 -0.92 115.64 122.54 3hka s THR 23 Ca 0.18 -0.85 -0.21 0.00 0.31 0.00 0.00 61.69 61.13 3hka s THR 23 Cb -0.14 -3.36 0.10 0.00 0.01 0.00 0.00 72.50 69.11 3hka s THR 23 CO 0.07 -0.14 0.99 -0.62 -0.69 0.00 0.00 174.62 174.23 3hka s ASP 24 N 1.52 6.35 0.00 3.53 -1.08 0.26 -4.75 116.67 122.49 3hka s ASP 24 Ca 0.02 -1.46 0.14 0.00 -0.52 0.00 0.00 52.55 50.73 3hka s ASP 24 Cb -0.19 -2.39 0.82 0.00 -1.46 0.00 0.00 42.92 39.70 3hka s ASP 24 CO 0.05 -1.25 1.34 1.15 0.52 0.00 0.00 175.17 176.98 3hka n MET 25 N 7.07 0.73 -3.21 4.34 0.00 -1.26 -0.64 117.12 124.15 3hka n MET 25 Ca 0.06 0.00 0.03 0.00 0.00 0.00 0.00 57.70 57.79 3hka n MET 25 Cb 0.46 -1.29 -0.01 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 -1.57 0.30 3.17 5.65 -1.26 -4.75 115.29 114.83 3hka s HIS 26 Ca 0.21 1.79 -0.02 0.00 0.25 0.00 0.00 55.06 57.29 3hka s HIS 26 Cb 0.09 0.60 -0.01 0.00 -1.18 0.00 0.00 32.58 32.08 3hka s HIS 26 CO 0.16 -0.85 0.36 0.95 -0.65 0.00 0.00 174.74 174.71 3hka s THR 27 N 2.87 0.00 -0.28 0.89 -4.23 -0.65 -1.05 115.64 113.19 3hka s THR 27 Ca 0.18 -1.74 0.08 0.00 -1.18 0.00 0.00 61.69 59.03 3hka s THR 27 Cb -0.15 -2.52 0.46 0.00 1.34 0.00 0.00 72.50 71.64 3hka s THR 27 CO -0.21 0.00 1.19 1.41 -0.54 0.00 0.00 174.62 176.47 3hka n HIS 28 N -0.49 2.37 -3.96 3.99 8.25 0.18 -2.88 115.22 122.69 3hka n HIS 28 Ca 0.02 -2.13 -0.21 0.00 -0.26 0.00 0.00 57.72 55.14 3hka n HIS 28 Cb 0.63 -0.32 -0.03 0.00 1.12 0.00 0.00 29.99 31.38 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 -3.55 3.88 0.09 2.41 1.43 -1.20 -4.57 118.68 117.17 3hka s LEU 29 Ca 0.48 -0.24 0.03 0.00 -1.03 0.00 0.00 54.13 53.37 3hka s LEU 29 Cb 0.40 -2.45 -0.04 0.00 0.03 0.00 0.00 46.19 44.13 3hka s LEU 29 CO 0.02 -0.15 -0.08 -0.36 0.23 0.00 0.00 176.35 176.01 3hka s PHE 30 N -2.15 0.94 0.36 0.29 0.08 -1.26 -4.41 117.98 111.84 3hka s PHE 30 Ca 0.36 -0.75 -0.28 0.00 0.12 0.00 0.00 56.93 56.38 3hka s PHE 30 Cb -0.08 -0.53 -0.11 0.00 -0.57 0.00 0.00 43.02 41.73 3hka s PHE 30 CO 0.27 -0.07 1.48 0.45 -0.10 0.00 0.00 175.22 177.25 3hka s SER 31 N -2.63 6.39 0.36 1.36 0.15 -1.26 -4.80 113.70 113.28 3hka s SER 31 Ca 0.07 3.00 0.17 0.00 0.70 0.00 0.00 55.95 59.88 3hka s SER 31 Cb -0.00 -2.66 1.14 0.00 -1.71 0.00 0.00 66.02 62.79 3hka s SER 31 CO -0.02 -0.84 1.66 -0.65 1.20 0.00 0.00 173.24 174.59 3hka h PRO 32 N 3.31 0.28 0.00 5.44 0.11 -1.95 0.12 132.00 139.31 3hka h PRO 32 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3hka h PRO 32 Cb 1.23 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3hka h PRO 32 CO 0.66 0.19 0.00 0.27 -0.21 0.00 0.00 178.00 178.91 3hka n ASN 33 N -4.99 0.00 -0.03 -2.05 6.94 -1.26 -2.28 115.26 111.59 3hka n ASN 33 Ca 0.32 0.20 0.14 0.00 -0.02 0.00 0.00 54.58 55.22 3hka n ASN 33 Cb 1.04 -0.34 0.63 0.00 -2.36 0.00 0.00 39.78 38.75 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 -1.34 0.00 -0.44 -2.53 3.01 0.41 -5.03 117.46 111.54 3hka n PHE 34 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.51 3hka n PHE 34 Cb 0.12 -0.33 0.00 0.00 -0.01 0.00 0.00 39.48 39.26 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 1.37 -1.03 0.03 1.37 0.00 -0.96 -4.34 105.19 101.63 3hka n GLY 35 Ca 0.11 -1.85 0.04 0.00 0.00 0.00 0.00 46.02 44.32 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 0.03 0.30 1.61 -0.58 -1.26 -1.87 120.64 118.86 3hka n GLU 36 Ca 0.00 0.46 0.18 0.00 -0.42 0.00 0.00 57.16 57.38 3hka n GLU 36 Cb 0.00 -1.59 1.00 0.00 -0.57 0.00 0.00 31.44 30.29 3hka n GLU 36 CO 0.00 0.00 0.00 0.97 -0.48 0.00 0.00 177.13 177.62 3hka h ILE 37 N 0.00 0.29 -3.51 -3.67 6.09 -1.94 -3.37 117.51 111.40 3hka h ILE 37 Ca 0.00 0.00 -0.61 0.00 -1.37 0.00 0.00 64.86 62.88 3hka h ILE 37 Cb 0.08 0.94 -0.12 0.00 0.47 0.00 0.00 36.82 38.20 3hka h ILE 37 CO 0.00 0.00 0.15 -0.22 -3.07 0.00 0.00 178.15 175.01 3hka s LEU 38 N -6.98 4.11 -0.03 2.19 2.96 -0.78 -4.75 118.68 115.40 3hka s LEU 38 Ca -0.05 0.54 -0.05 0.00 -0.22 0.00 0.00 54.13 54.35 3hka s LEU 38 Cb 0.14 -2.83 -0.04 0.00 0.50 0.00 0.00 46.19 43.96 3hka s LEU 38 CO 0.48 -0.43 0.20 -0.76 -1.32 0.00 0.00 176.35 174.52 3hka s LEU 39 N 2.56 4.38 0.06 -0.68 1.43 -1.26 -5.02 118.68 120.15 3hka s LEU 39 Ca 0.25 0.44 -0.27 0.00 -1.03 0.00 0.00 54.13 53.52 3hka s LEU 39 Cb -0.15 -2.52 0.09 0.00 0.03 0.00 0.00 46.19 43.63 3hka s LEU 39 CO 0.10 0.29 0.83 -1.66 0.23 0.00 0.00 176.35 176.15 3hka s TRP 40 N -1.26 -0.35 0.00 0.29 1.48 -1.26 -0.29 118.94 117.55 3hka s TRP 40 Ca 0.25 0.16 0.00 0.00 -1.06 0.00 0.00 56.10 55.45 3hka s TRP 40 Cb -0.13 0.56 0.00 0.00 -1.16 0.00 0.00 33.47 32.75 3hka s TRP 40 CO 0.15 -0.68 0.00 -0.40 -4.06 0.00 0.00 176.95 171.96 3hka n ASP 41 N -0.31 0.00 -0.18 -2.66 5.68 -1.26 -4.53 116.55 113.29 3hka n ASP 41 Ca -0.10 0.00 0.10 0.00 -0.50 0.00 0.00 54.79 54.29 3hka n ASP 41 Cb 0.62 0.00 0.41 0.00 -1.14 0.00 0.00 41.12 41.02 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 0.91 -0.27 2.12 6.09 -1.95 -1.22 117.51 123.20 3hka h ILE 42 Ca 0.00 -0.21 -0.10 0.00 -1.37 0.00 0.00 64.86 63.18 3hka h ILE 42 Cb 0.00 0.25 -0.01 0.00 0.47 0.00 0.00 36.82 37.52 3hka h ILE 42 CO 0.00 0.11 -0.24 0.44 -3.07 0.00 0.00 178.15 175.39 3hka h ASP 43 N 0.61 0.51 0.03 2.19 5.19 -1.96 -0.71 116.42 122.28 3hka h ASP 43 Ca 0.35 -0.17 -0.19 0.00 -0.62 0.00 0.00 57.03 56.39 3hka h ASP 43 Cb 0.53 -0.14 -0.00 0.00 0.18 0.00 0.00 39.33 39.90 3hka h ASP 43 CO -0.12 0.75 -0.68 -0.33 -3.12 0.00 0.00 179.24 175.73 3hka h GLU 44 N 0.45 0.60 -0.64 3.56 4.39 -1.55 -2.30 114.58 119.10 3hka h GLU 44 Ca 0.07 -0.45 -0.05 0.00 0.34 0.00 0.00 59.36 59.27 3hka h GLU 44 Cb 0.66 0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.37 3hka h GLU 44 CO 0.05 1.07 0.22 -0.07 -1.16 0.00 0.00 179.01 179.12 3hka h LEU 45 N 0.43 0.91 -0.84 1.33 3.38 -0.93 -2.70 115.31 116.89 3hka h LEU 45 Ca -0.02 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.70 3hka h LEU 45 Cb 1.27 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 3hka h LEU 45 CO 0.13 0.86 -0.24 -0.07 0.09 0.00 0.00 178.44 179.22 3hka h LEU 46 N 0.91 0.00 -2.54 1.67 3.38 -1.10 -3.07 115.31 114.56 3hka h LEU 46 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3hka h LEU 46 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3hka h LEU 46 CO -0.01 0.24 0.00 0.35 0.09 0.00 0.00 178.44 179.11 3hka n THR 47 N -3.31 1.13 -1.67 0.22 -2.24 -0.87 -4.71 114.28 102.82 3hka n THR 47 Ca 0.01 -0.93 -0.44 0.00 -2.27 0.00 0.00 64.05 60.42 3hka n THR 47 Cb 0.48 0.32 -0.02 0.00 -2.10 0.00 0.00 70.33 69.01 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 1.27 2.04 0.23 4.78 9.36 -1.04 -4.73 117.16 129.07 3hka n TYR 48 Ca 0.22 0.54 0.17 0.00 3.32 0.00 0.00 57.90 62.15 3hka n TYR 48 Cb 0.64 -2.40 0.86 0.00 -0.63 0.00 0.00 39.34 37.81 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 3.09 0.00 -0.94 2.98 2.07 -1.92 -0.13 115.15 120.30 3hka h HIS 49 Ca -0.45 0.00 0.02 0.00 -2.85 0.00 0.00 60.37 57.10 3hka h HIS 49 Cb 1.29 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 31.22 3hka h HIS 49 CO 0.52 0.00 0.62 1.88 -3.07 0.00 0.00 177.93 177.88 3hka h TYR 50 N 0.00 1.16 0.00 6.12 -1.99 -1.93 -1.60 116.97 118.73 3hka h TYR 50 Ca 0.07 0.03 -0.08 0.00 2.00 0.00 0.00 58.73 60.75 3hka h TYR 50 Cb 0.43 -0.39 -0.01 0.00 2.00 0.00 0.00 36.73 38.76 3hka h TYR 50 CO 0.00 0.70 -0.36 -0.07 -0.00 0.00 0.00 178.16 178.43 3hka h LEU 51 N 1.23 0.00 -0.46 3.88 3.38 -1.33 -2.68 115.31 119.33 3hka h LEU 51 Ca 0.36 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.23 3hka h LEU 51 Cb -0.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3hka h LEU 51 CO -0.10 0.36 -0.11 0.58 0.09 0.00 0.00 178.44 179.26 3hka h VAL 52 N 0.00 1.27 -0.30 1.22 2.07 -0.99 0.03 116.25 119.55 3hka h VAL 52 Ca -0.00 -1.23 -0.04 0.00 0.82 0.00 0.00 66.70 66.24 3hka h VAL 52 Cb 1.17 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 32.04 3hka h VAL 52 CO 0.05 0.42 0.03 0.00 0.02 0.00 0.00 177.57 178.09 3hka h ALA 53 N 0.88 0.40 -0.56 1.67 0.00 -1.31 -2.70 119.26 117.64 3hka h ALA 53 Ca 0.12 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 3hka h ALA 53 Cb 0.66 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3hka h ALA 53 CO 0.05 0.11 -0.00 0.93 0.00 0.00 0.00 179.25 180.34 3hka h GLU 54 N 0.32 0.97 -0.19 0.00 5.08 -1.32 -2.90 114.58 116.53 3hka h GLU 54 Ca 0.09 -0.29 -0.09 0.00 -1.00 0.00 0.00 59.36 58.07 3hka h GLU 54 Cb 0.38 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 3hka h GLU 54 CO 0.01 0.95 -0.25 -0.24 -1.00 0.00 0.00 179.01 178.48 3hka h VAL 55 N 0.89 1.25 0.00 3.13 3.04 -0.94 -2.56 116.25 121.06 3hka h VAL 55 Ca 0.16 -1.20 0.00 0.00 -1.01 0.00 0.00 66.70 64.65 3hka h VAL 55 Cb 0.52 1.39 0.00 0.00 -2.01 0.00 0.00 31.29 31.19 3hka h VAL 55 CO 0.03 0.37 0.00 0.23 -1.01 0.00 0.00 177.57 177.19 3hka n MET 56 N -4.14 0.17 0.09 4.17 2.81 -1.02 -1.22 117.12 117.98 3hka n MET 56 Ca -0.01 0.50 0.13 0.00 -1.81 0.00 0.00 57.70 56.51 3hka n MET 56 Cb 0.38 -1.89 0.35 0.00 -0.71 0.00 0.00 33.22 31.36 3hka n MET 56 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 3hka n ARG 57 N -2.21 0.26 -0.02 0.03 1.74 -0.97 -4.48 116.66 111.01 3hka n ARG 57 Ca 0.01 0.18 -0.06 0.00 -0.77 0.00 0.00 57.85 57.21 3hka n ARG 57 Cb 0.16 -1.77 -0.02 0.00 -1.02 0.00 0.00 32.46 29.81 3hka n ARG 57 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 3hka n TRP 58 N -2.21 0.00 -1.78 -1.55 7.02 -0.37 -5.08 117.44 113.48 3hka n TRP 58 Ca 0.05 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.16 3hka n TRP 58 Cb 0.43 -0.24 0.06 0.00 -2.42 0.00 0.00 31.31 29.13 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 -2.28 2.09 -2.49 -0.99 -1.32 -0.36 -4.94 115.64 105.35 3hka s THR 59 Ca -0.12 0.06 0.24 0.00 -1.21 0.00 0.00 61.69 60.66 3hka s THR 59 Cb 0.03 -3.03 0.44 0.00 -1.51 0.00 0.00 72.50 68.43 3hka s THR 59 CO 0.16 -0.01 1.54 -0.90 -2.21 0.00 0.00 174.62 173.21 3hka n ASP 60 N -1.57 2.09 -4.69 8.08 5.75 -1.26 -4.87 116.55 120.08 3hka n ASP 60 Ca 0.14 -1.73 -0.42 0.00 -0.01 0.00 0.00 54.79 52.76 3hka n ASP 60 Cb 0.47 -0.08 -0.03 0.00 -1.03 0.00 0.00 41.12 40.46 3hka n ASP 60 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3hka s VAL 61 N -1.85 4.49 0.77 2.12 1.01 -1.26 -5.00 120.40 120.69 3hka s VAL 61 Ca 0.34 1.79 -0.14 0.00 0.00 0.00 0.00 61.98 63.97 3hka s VAL 61 Cb 0.20 -4.15 0.06 0.00 0.00 0.00 0.00 36.38 32.49 3hka s VAL 61 CO 0.30 -0.01 1.22 -1.54 0.00 0.00 0.00 175.10 175.07 3hka n SER 62 N 5.18 1.25 0.04 3.32 3.41 -1.26 -4.77 113.62 120.78 3hka n SER 62 Ca 0.10 0.64 0.01 0.00 -0.26 0.00 0.00 58.87 59.36 3hka n SER 62 Cb 0.47 -1.52 0.35 0.00 -0.26 0.00 0.00 64.21 63.25 3hka n SER 62 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 3hka h ILE 63 N -0.60 1.17 0.11 -1.33 6.09 -1.97 -0.08 117.51 120.91 3hka h ILE 63 Ca -0.47 -0.69 -0.01 0.00 -1.37 0.00 0.00 64.86 62.33 3hka h ILE 63 Cb 1.31 0.96 0.00 0.00 0.47 0.00 0.00 36.82 39.56 3hka h ILE 63 CO 0.47 0.23 -0.06 -0.33 -3.07 0.00 0.00 178.15 175.40 3hka h GLU 64 N 0.42 -0.15 -0.86 2.19 3.07 -1.94 -2.01 114.58 115.30 3hka h GLU 64 Ca 0.09 0.01 0.01 0.00 -0.50 0.00 0.00 59.36 58.98 3hka h GLU 64 Cb 0.28 0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 28.18 3hka h GLU 64 CO 0.01 -0.02 0.57 0.00 -1.40 0.00 0.00 179.01 178.17 3hka h ALA 65 N 0.63 1.10 -0.14 3.43 0.00 -1.79 -1.82 119.26 120.67 3hka h ALA 65 Ca -0.02 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.87 3hka h ALA 65 Cb 0.20 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3hka h ALA 65 CO 0.03 0.48 -0.07 0.35 0.00 0.00 0.00 179.25 180.03 3hka h PHE 66 N 1.15 -0.17 0.00 0.00 3.57 -0.79 -0.68 116.94 120.01 3hka h PHE 66 Ca 0.32 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.84 3hka h PHE 66 Cb -0.11 0.10 0.00 0.00 2.79 0.00 0.00 35.95 38.73 3hka h PHE 66 CO -0.01 -0.12 0.00 -1.49 -2.23 0.00 0.00 178.31 174.46 3hka h TRP 67 N -0.07 0.00 0.00 0.41 -0.00 -1.03 -1.97 115.95 113.30 3hka h TRP 67 Ca 0.08 0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 58.96 3hka h TRP 67 Cb 0.18 0.00 -0.00 0.00 -0.00 0.00 0.00 29.16 29.34 3hka h TRP 67 CO -0.21 0.00 -0.30 0.00 -0.00 0.00 0.00 178.44 177.94 3hka h ALA 68 N 2.03 0.85 -2.40 1.49 0.00 -0.30 -3.46 119.26 117.48 3hka h ALA 68 Ca 0.00 -0.05 -0.49 0.00 0.00 0.00 0.00 54.91 54.37 3hka h ALA 68 Cb 0.29 -0.00 0.12 0.00 0.00 0.00 0.00 17.79 18.20 3hka h ALA 68 CO 0.00 0.07 0.32 -1.64 0.00 0.00 0.00 179.25 178.00 3hka s MET 69 N -3.22 1.88 0.77 0.00 -1.94 -0.74 -5.05 119.30 111.00 3hka s MET 69 Ca 0.05 0.67 -0.10 0.00 -1.71 0.00 0.00 55.69 54.60 3hka s MET 69 Cb 0.06 -1.89 0.07 0.00 2.01 0.00 0.00 34.83 35.09 3hka s MET 69 CO 0.71 -1.77 1.12 -1.54 -0.01 0.00 0.00 175.02 173.52 3hka s SER 70 N -3.80 4.60 0.19 3.03 1.04 -1.26 -4.81 113.70 112.68 3hka s SER 70 Ca 0.61 0.65 -0.12 0.00 0.48 0.00 0.00 55.95 57.57 3hka s SER 70 Cb -0.15 -1.19 0.18 0.00 0.10 0.00 0.00 66.02 64.95 3hka s SER 70 CO 0.55 -1.80 1.76 0.50 0.98 0.00 0.00 173.24 175.23 3hka h LYS 71 N -0.89 0.42 -0.63 4.02 1.63 -1.96 -0.29 116.57 118.86 3hka h LYS 71 Ca -0.45 -0.03 -0.07 0.00 -0.85 0.00 0.00 60.65 59.26 3hka h LYS 71 Cb 1.32 -0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 32.83 3hka h LYS 71 CO 0.63 0.28 0.13 -0.09 -3.45 0.00 0.00 179.45 176.95 3hka h ARG 72 N 0.43 1.00 -0.50 1.90 2.43 -1.93 -1.05 114.38 116.66 3hka h ARG 72 Ca 0.24 -0.24 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 3hka h ARG 72 Cb 0.22 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 3hka h ARG 72 CO -0.22 0.90 0.02 0.93 -1.51 0.00 0.00 179.97 180.10 3hka h GLU 73 N 0.95 0.87 -0.70 0.20 5.08 -1.73 0.48 114.58 119.73 3hka h GLU 73 Ca 0.20 -0.27 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 3hka h GLU 73 Cb 0.37 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 3hka h GLU 73 CO 0.00 0.89 0.23 1.96 -1.00 0.00 0.00 179.01 181.10 3hka h GLN 74 N 0.73 1.08 -0.59 2.33 4.20 -0.85 -1.30 115.11 120.70 3hka h GLN 74 Ca 0.14 -0.22 -0.04 0.00 0.06 0.00 0.00 58.65 58.59 3hka h GLN 74 Cb 0.49 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.08 3hka h GLN 74 CO 0.02 0.92 0.20 0.00 -0.67 0.00 0.00 178.83 179.30 3hka h ALA 75 N 1.11 0.77 -0.70 3.87 0.00 -0.88 -1.81 119.26 121.63 3hka h ALA 75 Ca 0.23 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3hka h ALA 75 Cb 0.28 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3hka h ALA 75 CO -0.01 0.43 0.30 -0.44 0.00 0.00 0.00 179.25 179.52 3hka h ASP 76 N 0.83 0.95 -0.16 0.00 3.32 -0.55 -1.34 116.42 119.47 3hka h ASP 76 Ca 0.19 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 3hka h ASP 76 Cb 0.27 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 3hka h ASP 76 CO -0.01 0.85 0.08 0.25 -1.72 0.00 0.00 179.24 178.69 3hka h LEU 77 N 0.99 0.21 -0.54 1.55 5.85 -0.99 -1.87 115.31 120.50 3hka h LEU 77 Ca 0.24 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 3hka h LEU 77 Cb 0.18 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 3hka h LEU 77 CO -0.02 0.26 0.23 0.40 -0.34 0.00 0.00 178.44 178.97 3hka h ILE 78 N 0.14 1.21 -0.36 4.05 2.04 -1.19 0.65 117.51 124.06 3hka h ILE 78 Ca 0.06 -0.64 0.01 0.00 1.00 0.00 0.00 64.86 65.28 3hka h ILE 78 Cb 0.10 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 3hka h ILE 78 CO -0.01 0.25 0.23 -0.25 0.00 0.00 0.00 178.15 178.37 3hka h TRP 79 N 0.74 0.43 -0.07 1.37 2.91 -1.17 0.13 115.95 120.29 3hka h TRP 79 Ca 0.18 0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.21 3hka h TRP 79 Cb 0.17 -0.14 -0.00 0.00 -0.51 0.00 0.00 29.16 28.68 3hka h TRP 79 CO 0.00 0.26 0.02 1.49 -1.03 0.00 0.00 178.44 179.18 3hka h GLU 80 N 0.46 0.12 -0.30 2.65 4.57 -1.10 -0.31 114.58 120.67 3hka h GLU 80 Ca 0.14 -0.03 -0.18 0.00 -1.18 0.00 0.00 59.36 58.11 3hka h GLU 80 Cb -0.03 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.54 3hka h GLU 80 CO -0.04 0.30 -0.51 0.93 -1.18 0.00 0.00 179.01 178.51 3hka h GLU 81 N -0.09 0.87 0.00 1.92 4.39 -0.74 0.11 114.58 121.03 3hka h GLU 81 Ca 0.02 -0.54 0.00 0.00 0.34 0.00 0.00 59.36 59.18 3hka h GLU 81 Cb 0.24 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 3hka h GLU 81 CO 0.00 1.18 -1.64 1.28 -1.16 0.00 0.00 179.01 178.66 3hka n LEU 82 N -4.04 0.34 -0.04 1.33 4.77 0.45 -3.87 117.00 115.95 3hka n LEU 82 Ca -0.04 -0.15 -0.05 0.00 -0.03 0.00 0.00 56.01 55.73 3hka n LEU 82 Cb 0.61 -0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.65 3hka n LEU 82 CO 0.50 0.08 -0.77 0.49 -1.33 0.00 0.00 177.39 176.36 3hka n PHE 83 N -2.02 0.00 -0.09 -1.77 3.72 -0.19 -3.25 117.46 113.87 3hka n PHE 83 Ca -0.01 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.24 3hka n PHE 83 Cb 0.49 -0.33 -0.07 0.00 -0.94 0.00 0.00 39.48 38.63 3hka n PHE 83 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 3hka h ILE 84 N 0.00 0.55 0.00 4.37 1.08 -1.15 -3.39 117.51 118.96 3hka h ILE 84 Ca -0.19 -1.68 -0.04 0.00 -0.39 0.00 0.00 64.86 62.55 3hka h ILE 84 Cb 1.32 1.31 -0.01 0.00 -3.07 0.00 0.00 36.82 36.38 3hka h ILE 84 CO -0.02 0.19 -0.21 0.11 -0.69 0.00 0.00 178.15 177.52 3hka h LYS 85 N -1.00 0.00 -3.74 2.37 1.57 -0.97 -3.44 116.57 111.36 3hka h LYS 85 Ca -0.19 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.45 3hka h LYS 85 Cb 0.95 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 33.07 3hka h LYS 85 CO -0.12 0.21 -0.54 1.03 -0.57 0.00 0.00 179.45 179.47 3hka s ARG 86 N -4.13 0.52 0.25 3.15 3.00 -1.25 -5.06 118.95 115.43 3hka s ARG 86 Ca -0.02 -0.63 -0.30 0.00 0.00 0.00 0.00 55.73 54.78 3hka s ARG 86 Cb 0.13 0.21 -0.09 0.00 0.00 0.00 0.00 34.95 35.19 3hka s ARG 86 CO 0.64 -0.12 1.29 -1.12 0.00 0.00 0.00 175.30 175.99 3hka s SER 87 N -1.82 6.89 -1.25 0.23 0.01 -1.26 -3.43 113.70 113.06 3hka s SER 87 Ca -0.09 2.49 -0.12 0.00 1.31 0.00 0.00 55.95 59.54 3hka s SER 87 Cb -0.04 -2.62 -0.06 0.00 0.21 0.00 0.00 66.02 63.51 3hka s SER 87 CO -0.02 -0.49 2.37 -0.81 0.41 0.00 0.00 173.24 174.69 3hka n PRO 88 N 1.89 2.68 0.06 12.44 -0.04 -1.20 -4.63 135.00 146.20 3hka n PRO 88 Ca 0.03 -2.06 0.12 0.00 -0.04 0.00 0.00 63.50 61.56 3hka n PRO 88 Cb 0.43 -2.87 0.26 0.00 -0.04 0.00 0.00 33.50 31.28 3hka n PRO 88 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3hka n VAL 89 N 4.58 0.34 -1.18 0.52 0.24 -1.26 -3.49 118.33 118.07 3hka n VAL 89 Ca 0.58 -0.22 -0.32 0.00 -2.04 0.00 0.00 64.34 62.34 3hka n VAL 89 Cb 0.28 -0.20 0.11 0.00 -1.47 0.00 0.00 33.84 32.56 3hka n VAL 89 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3hka s SER 90 N -4.05 3.99 0.19 -1.34 1.04 -1.26 -4.75 113.70 107.52 3hka s SER 90 Ca 0.08 2.09 -0.12 0.00 0.48 0.00 0.00 55.95 58.48 3hka s SER 90 Cb 0.14 -2.56 0.12 0.00 0.10 0.00 0.00 66.02 63.82 3hka s SER 90 CO 0.68 -2.39 1.86 -0.08 0.98 0.00 0.00 173.24 174.29 3hka h GLU 91 N -1.02 0.83 -0.45 4.02 4.57 -1.97 0.88 114.58 121.44 3hka h GLU 91 Ca -0.45 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 57.65 3hka h GLU 91 Cb 1.26 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 29.64 3hka h GLU 91 CO 0.48 0.55 0.16 0.00 -1.18 0.00 0.00 179.01 179.03 3hka h ALA 92 N 1.24 0.59 -0.19 2.92 0.00 -1.95 -0.01 119.26 121.86 3hka h ALA 92 Ca 0.24 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3hka h ALA 92 Cb -0.08 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3hka h ALA 92 CO -0.06 0.22 -0.05 0.00 0.00 0.00 0.00 179.25 179.36 3hka h ARG 94 N 0.09 0.60 -0.85 0.00 2.43 -0.71 -1.02 114.38 114.93 3hka h ARG 94 Ca 0.05 -0.04 0.08 0.00 -0.81 0.00 0.00 59.98 59.26 3hka h ARG 94 Cb 0.49 -0.14 -0.07 0.00 -0.42 0.00 0.00 29.97 29.84 3hka h ARG 94 CO 0.02 0.40 0.51 0.78 -1.51 0.00 0.00 179.97 180.17 3hka h GLY 95 N 0.62 1.30 1.01 2.80 0.00 -0.59 -1.28 103.07 106.93 3hka h GLY 95 Ca 0.48 -0.36 0.01 0.00 0.00 0.00 0.00 47.33 47.46 3hka h GLY 95 CO -0.37 0.20 0.47 -2.08 0.00 0.00 0.00 176.54 174.76 3hka h VAL 96 N 0.89 1.18 -0.31 4.60 2.07 -0.91 -1.89 116.25 121.89 3hka h VAL 96 Ca 0.39 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.55 3hka h VAL 96 Cb 0.26 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 3hka h VAL 96 CO -0.21 0.18 0.12 -0.07 0.02 0.00 0.00 177.57 177.61 3hka h LEU 97 N 0.97 0.43 -1.41 2.57 3.38 -1.14 -2.05 115.31 118.06 3hka h LEU 97 Ca 0.26 -0.17 0.09 0.00 0.09 0.00 0.00 57.88 58.15 3hka h LEU 97 Cb -0.11 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.48 3hka h LEU 97 CO -0.06 0.48 0.48 0.74 0.09 0.00 0.00 178.44 180.18 3hka h THR 98 N 0.35 0.96 -0.06 0.22 2.02 -0.97 -1.02 112.91 114.42 3hka h THR 98 Ca 0.10 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 3hka h THR 98 Cb 0.19 0.23 -0.00 0.00 -1.74 0.00 0.00 68.15 66.82 3hka h THR 98 CO -0.01 0.12 -0.02 0.00 0.37 0.00 0.00 175.52 175.99 3hka h LEU 100 N -0.23 -0.49 -1.21 0.00 3.38 -0.74 -1.99 115.31 114.03 3hka h LEU 100 Ca 0.02 0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.09 3hka h LEU 100 Cb 0.42 0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.30 3hka h LEU 100 CO 0.01 -0.26 0.55 -0.61 0.09 0.00 0.00 178.44 178.22 3hka h GLN 101 N -0.35 0.97 -0.05 1.13 4.15 -1.24 -1.14 115.11 118.58 3hka h GLN 101 Ca 0.02 -0.06 -0.07 0.00 0.77 0.00 0.00 58.65 59.32 3hka h GLN 101 Cb 0.36 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 27.82 3hka h GLN 101 CO -0.10 0.64 -0.29 0.78 -1.93 0.00 0.00 178.83 177.94 3hka h GLY 102 N 1.00 0.10 0.63 2.39 0.00 -0.77 -2.12 103.07 104.30 3hka h GLY 102 Ca 0.35 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.60 3hka h GLY 102 CO -0.11 0.07 0.00 1.04 0.00 0.00 0.00 176.54 177.53 3hka n LEU 103 N -4.17 0.37 0.00 3.11 4.77 -0.72 -4.87 117.00 115.49 3hka n LEU 103 Ca -0.02 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 3hka n LEU 103 Cb 0.36 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 3hka n LEU 103 CO 0.39 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 3hka n GLY 104 N 1.04 0.33 3.77 -0.72 0.00 -0.80 -5.07 105.19 103.75 3hka n GLY 104 Ca 0.23 0.00 -0.30 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 2.70 -0.28 0.99 1.43 -0.51 -4.96 118.68 118.05 3hka s LEU 105 Ca 0.00 1.56 0.01 0.00 -1.03 0.00 0.00 54.13 54.67 3hka s LEU 105 Cb 0.00 -4.18 0.06 0.00 0.03 0.00 0.00 46.19 42.10 3hka s LEU 105 CO 0.00 -2.11 -0.05 -0.62 0.23 0.00 0.00 176.35 173.80 3hka s ASP 106 N -3.60 4.65 0.61 2.29 2.15 -1.26 -3.72 116.67 117.79 3hka s ASP 106 Ca 0.61 -1.42 0.39 0.00 0.43 0.00 0.00 52.55 52.56 3hka s ASP 106 Cb -0.16 -1.62 1.91 0.00 -0.30 0.00 0.00 42.92 42.75 3hka s ASP 106 CO 0.56 -0.24 2.19 -0.65 -0.17 0.00 0.00 175.17 176.86 3hka h PRO 107 N 7.85 0.00 -0.90 4.34 0.11 -1.92 -3.12 132.00 138.36 3hka h PRO 107 Ca -0.19 0.00 0.08 0.00 0.11 0.00 0.00 66.00 66.00 3hka h PRO 107 Cb 1.05 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.09 3hka h PRO 107 CO 0.50 0.01 0.56 0.00 -0.21 0.00 0.00 178.00 178.85 3hka h ALA 108 N 1.99 1.28 0.00 -0.75 0.00 -2.01 -2.39 119.26 117.39 3hka h ALA 108 Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 3hka h ALA 108 Cb 0.25 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3hka h ALA 108 CO 0.00 0.26 -0.52 1.79 0.00 0.00 0.00 179.25 180.78 3hka h THR 109 N 0.97 1.15 -1.07 0.00 1.35 -1.99 -3.46 112.91 109.86 3hka h THR 109 Ca 0.41 -1.94 -0.34 0.00 -0.55 0.00 0.00 66.41 63.99 3hka h THR 109 Cb 0.27 2.11 -0.12 0.00 -1.73 0.00 0.00 68.15 68.69 3hka h THR 109 CO -0.21 0.51 -0.33 0.54 -0.25 0.00 0.00 175.52 175.78 3hka n ARG 110 N -3.60 -1.20 -2.62 4.72 1.74 -0.90 -4.90 116.66 109.90 3hka n ARG 110 Ca -0.00 1.05 -0.43 0.00 -0.77 0.00 0.00 57.85 57.69 3hka n ARG 110 Cb 0.60 -5.30 -0.00 0.00 -1.02 0.00 0.00 32.46 26.74 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 -2.73 6.83 0.37 0.55 -1.08 -1.26 -4.82 116.67 114.52 3hka s ASP 111 Ca 0.00 -2.40 0.07 0.00 -0.52 0.00 0.00 52.55 49.70 3hka s ASP 111 Cb 0.00 -2.56 0.77 0.00 -1.46 0.00 0.00 42.92 39.67 3hka s ASP 111 CO 0.00 -1.16 1.95 0.25 0.52 0.00 0.00 175.17 176.73 3hka h LEU 112 N 12.27 0.64 -0.74 -1.34 5.85 -1.98 -1.88 115.31 128.13 3hka h LEU 112 Ca 0.41 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 59.04 3hka h LEU 112 Cb 0.89 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.77 3hka h LEU 112 CO 1.43 0.41 -0.06 -0.61 -0.34 0.00 0.00 178.44 179.26 3hka h GLN 113 N 0.73 0.90 -0.52 1.25 5.75 -2.00 -1.54 115.11 119.67 3hka h GLN 113 Ca 0.33 -0.29 -0.12 0.00 -0.15 0.00 0.00 58.65 58.42 3hka h GLN 113 Cb 0.33 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.79 3hka h GLN 113 CO -0.11 0.93 -0.14 0.28 -2.65 0.00 0.00 178.83 177.14 3hka h VAL 114 N 0.82 1.27 -0.36 2.39 2.07 -1.78 -1.91 116.25 118.75 3hka h VAL 114 Ca 0.14 -1.30 0.01 0.00 0.82 0.00 0.00 66.70 66.37 3hka h VAL 114 Cb 0.58 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 3hka h VAL 114 CO 0.03 0.46 0.22 1.88 0.02 0.00 0.00 177.57 180.18 3hka h TYR 115 N 0.88 0.42 -0.90 1.57 0.05 -1.13 -2.30 116.97 115.57 3hka h TYR 115 Ca 0.13 0.01 0.02 0.00 0.05 0.00 0.00 58.73 58.95 3hka h TYR 115 Cb 0.71 -0.14 -0.05 0.00 1.01 0.00 0.00 36.73 38.26 3hka h TYR 115 CO 0.05 0.26 0.59 0.00 -1.05 0.00 0.00 178.16 178.01 3hka h ARG 116 N 0.45 1.13 -0.03 4.88 3.08 -1.12 -1.52 114.38 121.25 3hka h ARG 116 Ca 0.13 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 3hka h ARG 116 Cb -0.03 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 29.76 3hka h ARG 116 CO -0.05 0.75 0.02 0.93 -1.07 0.00 0.00 179.97 180.55 3hka h GLU 117 N 1.16 0.04 -0.17 0.04 5.08 -0.78 -2.26 114.58 117.70 3hka h GLU 117 Ca 0.34 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.70 3hka h GLU 117 Cb -0.05 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 3hka h GLU 117 CO -0.09 0.03 0.10 -0.92 -1.00 0.00 0.00 179.01 177.13 3hka h TYR 118 N 0.04 0.22 -0.20 4.33 3.20 -1.02 -3.18 116.97 120.37 3hka h TYR 118 Ca 0.01 -0.00 -0.16 0.00 3.14 0.00 0.00 58.73 61.72 3hka h TYR 118 Cb -0.00 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.19 3hka h TYR 118 CO 0.00 0.19 -0.55 0.74 -1.64 0.00 0.00 178.16 176.91 3hka h PHE 119 N 0.19 0.75 -0.41 -3.82 0.04 -1.44 -3.23 116.94 109.01 3hka h PHE 119 Ca 0.06 -0.26 0.12 0.00 2.80 0.00 0.00 57.97 60.68 3hka h PHE 119 Cb 0.04 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.03 3hka h PHE 119 CO -0.05 1.01 0.30 0.00 -0.60 0.00 0.00 178.31 178.97 3hka h ALA 120 N 0.94 2.37 0.07 2.45 0.00 -1.42 -3.02 119.26 120.65 3hka h ALA 120 Ca 0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3hka h ALA 120 Cb 1.10 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3hka h ALA 120 CO 0.11 -0.51 -0.03 0.87 0.00 0.00 0.00 179.25 179.69 3hka h LYS 121 N 0.00 -0.09 -7.60 0.00 1.57 -1.59 -3.47 116.57 105.39 3hka h LYS 121 Ca 0.19 0.01 -0.45 0.00 -1.87 0.00 0.00 60.65 58.53 3hka h LYS 121 Cb 0.79 0.02 0.15 0.00 0.08 0.00 0.00 32.23 33.27 3hka h LYS 121 CO -0.00 0.43 0.32 0.15 -0.57 0.00 0.00 179.45 179.78 3hka s LYS 122 N -3.82 0.54 0.46 3.15 1.02 -1.14 -5.11 119.74 114.83 3hka s LYS 122 Ca -0.15 -0.05 0.06 0.00 0.02 0.00 0.00 55.97 55.84 3hka s LYS 122 Cb 0.01 -1.80 -0.03 0.00 -0.52 0.00 0.00 37.83 35.48 3hka s LYS 122 CO 0.61 -2.54 0.15 0.95 -0.92 0.00 0.00 175.35 173.60 3hka s THR 123 N -3.46 1.88 0.05 2.17 -4.23 -1.26 -4.98 115.64 105.81 3hka s THR 123 Ca 0.69 -1.78 -0.26 0.00 -1.18 0.00 0.00 61.69 59.15 3hka s THR 123 Cb -0.09 -2.67 -0.13 0.00 1.34 0.00 0.00 72.50 70.95 3hka s THR 123 CO 0.53 0.00 1.39 0.28 -0.54 0.00 0.00 174.62 176.29 3hka h SER 124 N 1.36 -0.92 -0.67 3.99 0.02 -1.98 0.22 113.55 115.57 3hka h SER 124 Ca -0.42 0.06 0.17 0.00 -0.84 0.00 0.00 61.79 60.76 3hka h SER 124 Cb 1.27 0.28 -0.03 0.00 0.14 0.00 0.00 62.40 64.06 3hka h SER 124 CO 0.71 -0.51 0.47 -0.33 -1.14 0.00 0.00 176.83 176.03 3hka h GLU 125 N -0.80 0.12 -0.04 3.45 3.07 -1.98 0.24 114.58 118.64 3hka h GLU 125 Ca -0.06 -0.01 -0.06 0.00 -0.50 0.00 0.00 59.36 58.73 3hka h GLU 125 Cb 0.66 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.55 3hka h GLU 125 CO 0.03 0.08 -0.22 1.49 -1.40 0.00 0.00 179.01 178.99 3hka h GLU 126 N 0.12 0.22 -0.58 2.33 4.81 -1.86 -2.74 114.58 116.88 3hka h GLU 126 Ca 0.32 -0.18 -0.07 0.00 -0.13 0.00 0.00 59.36 59.31 3hka h GLU 126 Cb 1.10 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.49 3hka h GLU 126 CO -0.04 0.84 0.10 0.37 -0.73 0.00 0.00 179.01 179.54 3hka h GLN 127 N -0.34 0.94 -0.25 1.92 5.75 0.41 -2.27 115.11 121.26 3hka h GLN 127 Ca -0.02 -0.23 0.02 0.00 -0.15 0.00 0.00 58.65 58.28 3hka h GLN 127 Cb 0.88 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 29.28 3hka h GLN 127 CO 0.04 0.87 0.11 0.28 -2.65 0.00 0.00 178.83 177.48 3hka h VAL 128 N 0.89 0.98 0.04 2.39 2.07 -1.03 0.16 116.25 121.75 3hka h VAL 128 Ca 0.18 -0.08 0.01 0.00 0.82 0.00 0.00 66.70 67.63 3hka h VAL 128 Cb 0.38 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 3hka h VAL 128 CO 0.01 0.04 -0.08 0.44 0.02 0.00 0.00 177.57 178.00 3hka h ASP 129 N 0.25 -0.22 0.12 0.57 3.32 -1.22 -0.95 116.42 118.28 3hka h ASP 129 Ca 0.11 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3hka h ASP 129 Cb 0.04 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 3hka h ASP 129 CO -0.08 -0.12 -0.09 0.74 -1.72 0.00 0.00 179.24 177.96 3hka h THR 130 N -0.16 0.79 -0.16 0.35 2.02 -1.10 -1.64 112.91 113.02 3hka h THR 130 Ca 0.02 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.21 3hka h THR 130 Cb 0.18 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 3hka h THR 130 CO -0.05 0.00 0.06 0.58 0.37 0.00 0.00 175.52 176.48 3hka h VAL 131 N -0.23 0.98 -0.02 3.16 2.07 -0.62 0.92 116.25 122.51 3hka h VAL 131 Ca -0.00 -0.05 0.01 0.00 0.82 0.00 0.00 66.70 67.47 3hka h VAL 131 Cb 0.20 0.82 -0.00 0.00 -1.52 0.00 0.00 31.29 30.79 3hka h VAL 131 CO -0.01 0.03 0.02 -0.07 0.02 0.00 0.00 177.57 177.56 3hka h LEU 132 N 0.14 0.00 0.13 2.57 3.38 -1.10 0.28 115.31 120.72 3hka h LEU 132 Ca 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3hka h LEU 132 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3hka h LEU 132 CO -0.06 0.00 -0.06 1.56 0.09 0.00 0.00 178.44 179.97 3hka h GLN 133 N 0.00 -0.17 -0.30 1.13 4.20 -0.44 -1.71 115.11 117.83 3hka h GLN 133 Ca 0.01 0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.69 3hka h GLN 133 Cb 0.05 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 3hka h GLN 133 CO -0.00 0.30 -0.01 -0.07 -0.67 0.00 0.00 178.83 178.38 3hka h LEU 134 N -0.83 0.43 -0.86 1.46 3.38 -0.30 -2.47 115.31 116.12 3hka h LEU 134 Ca -0.02 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3hka h LEU 134 Cb 0.55 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3hka h LEU 134 CO 0.03 0.50 -0.11 0.00 0.09 0.00 0.00 178.44 178.96 3hka n ALA 135 N -2.48 2.78 -3.92 1.53 0.00 0.93 -4.95 120.51 114.40 3hka n ALA 135 Ca 0.01 -0.45 -0.27 0.00 0.00 0.00 0.00 53.44 52.73 3hka n ALA 135 Cb 0.24 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.57 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 -0.06 -2.00 -4.45 0.00 5.15 -0.89 -4.83 115.26 108.19 3hka n ASN 136 Ca 0.16 -0.91 -0.36 0.00 -0.60 0.00 0.00 54.58 52.87 3hka n ASN 136 Cb 0.37 -3.46 -0.12 0.00 -0.53 0.00 0.00 39.78 36.03 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 -3.63 4.28 -0.08 3.44 1.01 -0.69 -0.63 120.40 124.09 3hka s VAL 137 Ca 0.26 -0.18 0.10 0.00 0.00 0.00 0.00 61.98 62.16 3hka s VAL 137 Cb -0.14 -2.99 -0.24 0.00 0.00 0.00 0.00 36.38 33.02 3hka s VAL 137 CO 0.86 0.36 0.50 -1.54 0.00 0.00 0.00 175.10 175.28 3hka n SER 138 N 4.79 0.97 -3.89 3.32 3.41 -0.10 -4.73 113.62 117.39 3hka n SER 138 Ca -0.16 0.31 -0.14 0.00 -0.26 0.00 0.00 58.87 58.62 3hka n SER 138 Cb 0.51 -0.04 -0.14 0.00 -0.26 0.00 0.00 64.21 64.28 3hka n SER 138 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3hka s ASP 139 N -6.16 0.22 -0.08 4.04 1.01 -1.08 -4.77 116.67 109.84 3hka s ASP 139 Ca -0.09 -0.03 0.04 0.00 0.71 0.00 0.00 52.55 53.18 3hka s ASP 139 Cb 0.07 -0.04 0.00 0.00 1.01 0.00 0.00 42.92 43.97 3hka s ASP 139 CO 0.81 0.00 -0.20 -0.69 0.21 0.00 0.00 175.17 175.31 3hka s VAL 140 N 0.10 1.70 -0.23 -1.27 1.01 0.14 -0.58 120.40 121.28 3hka s VAL 140 Ca -0.01 -0.82 -0.09 0.00 0.00 0.00 0.00 61.98 61.06 3hka s VAL 140 Cb -0.02 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 3hka s VAL 140 CO -0.00 0.48 0.12 -0.69 0.00 0.00 0.00 175.10 175.00 3hka s VAL 141 N 0.38 5.01 0.70 2.92 1.01 0.19 -0.49 120.40 130.13 3hka s VAL 141 Ca -0.15 0.06 -0.03 0.00 0.00 0.00 0.00 61.98 61.86 3hka s VAL 141 Cb -0.16 -3.32 0.10 0.00 0.00 0.00 0.00 36.38 32.99 3hka s VAL 141 CO 0.06 0.37 0.97 -0.04 0.00 0.00 0.00 175.10 176.47 3hka s MET 142 N 0.97 1.91 -0.34 2.72 -1.94 0.37 -1.63 119.30 121.36 3hka s MET 142 Ca 0.06 -0.80 0.01 0.00 -1.71 0.00 0.00 55.69 53.25 3hka s MET 142 Cb -0.14 -2.30 0.09 0.00 2.01 0.00 0.00 34.83 34.50 3hka s MET 142 CO 0.03 -1.30 0.07 0.99 -0.01 0.00 0.00 175.02 174.80 3hka s THR 143 N -3.13 2.66 -0.39 2.05 2.01 -1.14 -3.63 115.64 114.07 3hka s THR 143 Ca 0.63 -2.04 -0.11 0.00 0.31 0.00 0.00 61.69 60.49 3hka s THR 143 Cb -0.08 -2.81 0.04 0.00 0.01 0.00 0.00 72.50 69.67 3hka s THR 143 CO 0.44 -0.49 0.22 0.20 -0.69 0.00 0.00 174.62 174.30 3hka s ASN 144 N 1.25 5.72 -0.39 3.53 -0.87 -0.36 -4.94 114.94 118.87 3hka s ASN 144 Ca 0.05 -1.15 -0.11 0.00 -1.57 0.00 0.00 52.86 50.09 3hka s ASN 144 Cb -0.20 -2.02 0.04 0.00 -0.02 0.00 0.00 41.25 39.05 3hka s ASN 144 CO -0.06 -0.44 0.22 -0.62 -2.57 0.00 0.00 177.10 173.64 3hka s ASP 145 N 1.73 5.71 0.43 -1.22 -1.08 -1.26 -0.79 116.67 120.19 3hka s ASP 145 Ca 0.02 -1.15 0.30 0.00 -0.52 0.00 0.00 52.55 51.20 3hka s ASP 145 Cb -0.20 -2.01 1.44 0.00 -1.46 0.00 0.00 42.92 40.68 3hka s ASP 145 CO 0.05 -0.43 1.90 1.55 0.52 0.00 0.00 175.17 178.76 3hka h PRO 146 N 8.43 0.00 -0.00 4.34 0.13 -1.97 -2.10 132.00 140.83 3hka h PRO 146 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 3hka h PRO 146 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3hka h PRO 146 CO 0.70 0.00 -0.03 1.19 -0.23 0.00 0.00 178.00 179.63 3hka n PHE 147 N -2.61 0.00 -2.99 1.56 3.72 -1.26 -4.57 117.46 111.30 3hka n PHE 147 Ca -0.00 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.97 3hka n PHE 147 Cb 0.16 -0.43 -0.06 0.00 -0.94 0.00 0.00 39.48 38.21 3hka n PHE 147 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3hka s ASP 148 N -2.88 6.42 0.23 4.37 3.68 -0.79 -4.94 116.67 122.76 3hka s ASP 148 Ca 0.18 -0.05 -0.06 0.00 2.13 0.00 0.00 52.55 54.74 3hka s ASP 148 Cb 0.19 -2.38 0.34 0.00 -1.45 0.00 0.00 42.92 39.63 3hka s ASP 148 CO 0.52 -0.85 1.81 0.44 0.13 0.00 0.00 175.17 177.21 3hka h ASP 149 N 8.86 0.61 -0.11 -0.34 5.19 -1.87 0.19 116.42 128.95 3hka h ASP 149 Ca -0.25 0.04 0.03 0.00 -0.62 0.00 0.00 57.03 56.24 3hka h ASP 149 Cb 1.09 -0.07 -0.00 0.00 0.18 0.00 0.00 39.33 40.52 3hka h ASP 149 CO 0.94 0.36 0.21 0.78 -3.12 0.00 0.00 179.24 178.41 3hka h ASN 150 N 0.73 0.00 0.00 6.45 2.35 -1.95 -2.69 115.58 120.47 3hka h ASN 150 Ca 0.36 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.85 3hka h ASN 150 Cb 0.31 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.63 3hka h ASN 150 CO -0.23 0.00 -1.95 1.21 -1.65 0.00 0.00 177.43 174.80 3hka n GLU 151 N -3.40 0.41 -0.12 0.81 2.13 -0.48 -4.57 120.64 115.42 3hka n GLU 151 Ca 0.00 0.11 0.14 0.00 0.66 0.00 0.00 57.16 58.07 3hka n GLU 151 Cb 0.30 -1.29 0.52 0.00 0.27 0.00 0.00 31.44 31.24 3hka n GLU 151 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 3hka h ARG 152 N -0.12 0.37 -0.96 5.31 2.43 -0.58 -1.26 114.38 119.57 3hka h ARG 152 Ca -0.39 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 58.80 3hka h ARG 152 Cb 1.54 -0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 30.95 3hka h ARG 152 CO -0.10 0.24 0.63 0.97 -1.51 0.00 0.00 179.97 180.20 3hka h ILE 153 N 0.38 1.15 -0.46 1.20 -0.00 -1.72 -1.43 117.51 116.62 3hka h ILE 153 Ca 0.32 -0.41 -0.13 0.00 -0.00 0.00 0.00 64.86 64.65 3hka h ILE 153 Cb 0.74 -0.14 -0.01 0.00 -0.00 0.00 0.00 36.82 37.41 3hka h ILE 153 CO -0.09 0.22 -0.20 0.28 -0.00 0.00 0.00 178.15 178.35 3hka h SER 154 N 1.19 0.95 -0.26 2.19 0.02 -1.48 -2.31 113.55 113.85 3hka h SER 154 Ca 0.39 -0.35 -0.06 0.00 -0.84 0.00 0.00 61.79 60.93 3hka h SER 154 Cb 0.04 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.31 3hka h SER 154 CO -0.12 1.12 -0.06 -0.50 -1.14 0.00 0.00 176.83 176.13 3hka h TRP 155 N 0.81 0.57 0.00 3.45 4.06 -1.40 -1.86 115.95 121.58 3hka h TRP 155 Ca 0.11 -0.12 -0.01 0.00 2.06 0.00 0.00 58.89 60.93 3hka h TRP 155 Cb 0.76 -0.14 -0.00 0.00 -1.00 0.00 0.00 29.16 28.78 3hka h TRP 155 CO 0.05 0.72 -0.05 -0.07 -3.56 0.00 0.00 178.44 175.53 3hka h LEU 156 N 0.25 0.00 -0.23 -4.49 3.38 -1.23 0.93 115.31 113.93 3hka h LEU 156 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3hka h LEU 156 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3hka h LEU 156 CO 0.03 0.05 -0.00 -0.62 0.09 0.00 0.00 178.44 177.98 3hka n GLU 157 N -3.43 1.15 -1.00 1.13 1.02 -0.88 -4.88 120.64 113.74 3hka n GLU 157 Ca -0.02 -0.23 -0.00 0.00 -0.02 0.00 0.00 57.16 56.89 3hka n GLU 157 Cb 0.17 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.10 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 1.05 0.47 3.76 0.62 0.00 0.32 -5.01 105.19 106.40 3hka n GLY 158 Ca 0.23 -0.26 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.54 3.48 -0.04 1.61 1.02 -0.73 -5.03 119.74 119.52 3hka s LYS 159 Ca 0.00 1.94 0.04 0.00 0.02 0.00 0.00 55.97 57.97 3hka s LYS 159 Cb 0.00 -2.32 -0.00 0.00 -0.52 0.00 0.00 37.83 34.99 3hka s LYS 159 CO 0.00 -0.83 -0.14 -0.65 -0.92 0.00 0.00 175.35 172.82 3hka s GLN 160 N -2.82 1.44 0.67 1.68 -1.52 -1.26 -4.69 119.66 113.16 3hka s GLN 160 Ca 0.67 -0.49 -0.13 0.00 -1.95 0.00 0.00 55.36 53.46 3hka s GLN 160 Cb -0.33 -1.28 0.00 0.00 -0.22 0.00 0.00 33.01 31.18 3hka s GLN 160 CO 0.39 0.19 1.08 -1.25 -0.25 0.00 0.00 175.29 175.45 3hka s PRO 161 N 0.09 2.89 0.81 2.91 0.04 -1.26 -4.97 135.00 135.51 3hka s PRO 161 Ca -0.03 1.19 -0.11 0.00 0.04 0.00 0.00 61.00 62.08 3hka s PRO 161 Cb -0.10 -1.98 0.08 0.00 0.04 0.00 0.00 34.50 32.54 3hka s PRO 161 CO 0.01 -1.15 1.09 0.16 0.04 0.00 0.00 177.00 177.15 3hka s ASP 162 N -3.08 4.30 0.53 6.66 1.47 -1.26 -4.87 116.67 120.42 3hka s ASP 162 Ca 0.63 1.56 0.17 0.00 1.18 0.00 0.00 52.55 56.08 3hka s ASP 162 Cb -0.17 -2.29 0.93 0.00 -0.34 0.00 0.00 42.92 41.06 3hka s ASP 162 CO 0.46 -2.13 1.47 0.77 0.68 0.00 0.00 175.17 176.43 3hka h SER 163 N -1.19 0.00 0.95 2.11 4.64 -2.01 -0.10 113.55 117.94 3hka h SER 163 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3hka h SER 163 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3hka h SER 163 CO 0.55 0.00 -0.30 0.54 -0.87 0.00 0.00 176.83 176.75 3hka n ARG 164 N -2.46 0.14 -4.68 4.77 1.74 -1.26 -4.81 116.66 110.10 3hka n ARG 164 Ca -0.01 0.07 -0.33 0.00 -0.77 0.00 0.00 57.85 56.81 3hka n ARG 164 Cb 0.49 -1.62 -0.14 0.00 -1.02 0.00 0.00 32.46 30.17 3hka n ARG 164 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3hka s PHE 165 N -3.07 2.81 0.06 -1.55 0.08 -0.05 -0.68 117.98 115.58 3hka s PHE 165 Ca 0.10 -0.73 0.06 0.00 0.12 0.00 0.00 56.93 56.49 3hka s PHE 165 Cb 0.16 -1.87 -0.04 0.00 -0.57 0.00 0.00 43.02 40.70 3hka s PHE 165 CO 0.64 -0.28 -0.12 -1.01 -0.10 0.00 0.00 175.22 174.35 3hka s HIS 166 N 0.50 2.71 0.27 0.36 3.76 0.36 -4.66 115.29 118.58 3hka s HIS 166 Ca -0.09 -0.16 -0.13 0.00 -0.15 0.00 0.00 55.06 54.52 3hka s HIS 166 Cb -0.16 -1.48 -0.08 0.00 1.11 0.00 0.00 32.58 31.97 3hka s HIS 166 CO 0.04 0.35 0.65 0.00 -0.85 0.00 0.00 174.74 174.94 3hka s ALA 167 N -1.06 3.44 -0.08 -1.40 0.00 -1.26 -0.48 121.76 120.92 3hka s ALA 167 Ca 0.18 -0.08 -0.03 0.00 0.00 0.00 0.00 51.96 52.03 3hka s ALA 167 Cb -0.11 -2.63 0.04 0.00 0.00 0.00 0.00 23.12 20.43 3hka s ALA 167 CO 0.09 0.41 0.08 0.00 0.00 0.00 0.00 175.76 176.34 3hka s ALA 168 N -1.84 0.24 -0.67 0.00 0.00 -1.24 -0.48 121.76 117.77 3hka s ALA 168 Ca 0.49 0.08 -0.26 0.00 0.00 0.00 0.00 51.96 52.27 3hka s ALA 168 Cb -0.11 -0.77 -0.01 0.00 0.00 0.00 0.00 23.12 22.23 3hka s ALA 168 CO 0.19 -0.70 1.72 -1.17 0.00 0.00 0.00 175.76 175.80 3hka s LEU 169 N 2.18 3.25 -0.02 0.00 2.96 -0.65 -1.22 118.68 125.17 3hka s LEU 169 Ca 0.04 0.04 -0.28 0.00 -0.22 0.00 0.00 54.13 53.71 3hka s LEU 169 Cb -0.13 -2.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.99 3hka s LEU 169 CO -0.05 -2.26 0.88 -0.60 -1.32 0.00 0.00 176.35 173.00 3hka s ARG 170 N 6.69 4.52 -0.10 1.98 6.06 0.03 -0.85 118.95 137.28 3hka s ARG 170 Ca 0.59 1.23 0.14 0.00 -2.50 0.00 0.00 55.73 55.20 3hka s ARG 170 Cb -0.11 -3.46 0.22 0.00 0.06 0.00 0.00 34.95 31.66 3hka s ARG 170 CO 0.17 -0.01 1.11 1.28 -2.50 0.00 0.00 175.30 175.35 3hka n LEU 171 N 3.85 1.77 -0.27 -0.88 4.77 -0.08 -4.36 117.00 121.81 3hka n LEU 171 Ca 0.03 -2.57 0.06 0.00 -0.03 0.00 0.00 56.01 53.51 3hka n LEU 171 Cb 0.51 -0.32 0.17 0.00 -2.33 0.00 0.00 43.42 41.45 3hka n LEU 171 CO 0.50 0.59 0.82 0.44 -1.33 0.00 0.00 177.39 178.42 3hka h ASP 172 N 0.00 -0.37 -0.99 -1.43 5.19 -1.92 -0.71 116.42 116.19 3hka h ASP 172 Ca 0.00 0.21 0.04 0.00 -0.62 0.00 0.00 57.03 56.65 3hka h ASP 172 Cb 1.09 0.36 -0.06 0.00 0.18 0.00 0.00 39.33 40.91 3hka h ASP 172 CO 0.00 -0.20 0.65 -0.65 -3.12 0.00 0.00 179.24 175.92 3hka h PRO 173 N 0.09 1.22 -0.05 3.56 0.11 -1.95 0.19 132.00 135.17 3hka h PRO 173 Ca 0.43 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.46 3hka h PRO 173 Cb 0.77 -0.27 -0.00 0.00 0.11 0.00 0.00 31.00 31.61 3hka h PRO 173 CO -0.70 0.80 -0.02 1.25 -0.21 0.00 0.00 178.00 179.12 3hka h LEU 174 N 1.25 0.10 0.19 2.35 5.85 -1.47 -2.27 115.31 121.30 3hka h LEU 174 Ca 0.39 -0.41 -0.32 0.00 0.84 0.00 0.00 57.88 58.38 3hka h LEU 174 Cb 0.00 -0.03 0.03 0.00 0.37 0.00 0.00 40.66 41.04 3hka h LEU 174 CO -0.13 0.49 -1.37 -0.07 -0.34 0.00 0.00 178.44 177.03 3hka h LEU 175 N -0.29 0.85 0.00 2.25 4.07 -1.23 -3.19 115.31 117.77 3hka h LEU 175 Ca 0.01 -0.85 0.00 0.00 0.08 0.00 0.00 57.88 57.12 3hka h LEU 175 Cb 0.45 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 41.92 3hka h LEU 175 CO 0.01 1.65 -1.31 0.59 -1.08 0.00 0.00 178.44 178.30 3hka n ASN 176 N -3.75 0.52 -2.46 -0.43 3.02 0.65 -3.69 115.26 109.13 3hka n ASN 176 Ca -0.15 0.05 -0.09 0.00 -0.03 0.00 0.00 54.58 54.36 3hka n ASN 176 Cb 1.05 1.03 0.04 0.00 -0.61 0.00 0.00 39.78 41.29 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 -2.32 2.40 -0.25 3.52 1.02 -0.86 -4.92 120.64 119.23 3hka n GLU 177 Ca -0.01 -3.72 0.03 0.00 -0.02 0.00 0.00 57.16 53.45 3hka n GLU 177 Cb 0.52 -1.82 0.16 0.00 -0.02 0.00 0.00 31.44 30.28 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 2.38 0.60 -0.19 -0.32 3.20 -1.56 0.14 116.97 121.22 3hka h TYR 178 Ca 0.05 0.03 0.05 0.00 3.14 0.00 0.00 58.73 62.01 3hka h TYR 178 Cb 1.38 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 39.49 3hka h TYR 178 CO 0.63 0.17 0.30 0.93 -1.64 0.00 0.00 178.16 178.54 3hka h GLU 179 N 0.54 0.00 0.00 1.82 4.39 -1.91 0.44 114.58 119.87 3hka h GLU 179 Ca 0.38 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.75 3hka h GLU 179 Cb 0.47 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.07 3hka h GLU 179 CO -0.32 0.00 -2.22 1.04 -1.16 0.00 0.00 179.01 176.35 3hka n GLN 180 N -3.45 0.53 0.20 2.33 3.00 -0.68 -4.55 117.38 114.76 3hka n GLN 180 Ca 0.02 0.13 0.04 0.00 -0.01 0.00 0.00 57.00 57.18 3hka n GLN 180 Cb 0.41 -1.41 0.42 0.00 0.00 0.00 0.00 30.24 29.66 3hka n GLN 180 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.06 178.21 3hka h THR 181 N -0.09 1.20 -0.75 5.09 2.02 -0.21 -3.01 112.91 117.15 3hka h THR 181 Ca -0.49 -1.00 0.11 0.00 0.77 0.00 0.00 66.41 65.80 3hka h THR 181 Cb 1.71 1.54 -0.05 0.00 -1.74 0.00 0.00 68.15 69.61 3hka h THR 181 CO -0.11 0.28 0.49 0.07 0.37 0.00 0.00 175.52 176.63 3hka h LYS 182 N 0.00 0.57 -0.05 6.66 2.10 -0.37 0.06 116.57 125.54 3hka h LYS 182 Ca -0.00 -0.03 -0.09 0.00 -2.00 0.00 0.00 60.65 58.52 3hka h LYS 182 Cb 0.52 -0.13 -0.01 0.00 -0.90 0.00 0.00 32.23 31.71 3hka h LYS 182 CO 0.04 0.38 -0.39 0.45 -2.00 0.00 0.00 179.45 177.92 3hka h HIS 183 N 0.58 0.11 -0.11 0.07 3.86 -1.77 -2.36 115.15 115.53 3hka h HIS 183 Ca 0.35 -0.03 -0.17 0.00 -1.16 0.00 0.00 60.37 59.37 3hka h HIS 183 Cb 0.58 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 29.02 3hka h HIS 183 CO -0.00 0.48 -0.64 0.00 0.86 0.00 0.00 177.93 178.63 3hka h ARG 184 N 0.08 0.41 -0.50 2.45 3.08 -1.13 -2.40 114.38 116.38 3hka h ARG 184 Ca 0.01 -0.30 -0.04 0.00 0.07 0.00 0.00 59.98 59.72 3hka h ARG 184 Cb 0.74 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.82 3hka h ARG 184 CO 0.06 0.92 0.15 -0.07 -1.07 0.00 0.00 179.97 179.95 3hka h LEU 185 N 0.30 0.73 -0.38 3.04 3.38 -1.09 -2.20 115.31 119.08 3hka h LEU 185 Ca -0.01 -0.21 0.05 0.00 0.09 0.00 0.00 57.88 57.80 3hka h LEU 185 Cb 1.19 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.70 3hka h LEU 185 CO 0.11 0.75 0.11 0.03 0.09 0.00 0.00 178.44 179.52 3hka h ARG 186 N 0.67 0.24 0.00 1.13 3.08 -1.30 0.69 114.38 118.89 3hka h ARG 186 Ca 0.16 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 3hka h ARG 186 Cb 0.29 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 3hka h ARG 186 CO -0.00 0.16 -0.01 -0.44 -1.07 0.00 0.00 179.97 178.61 3hka h ASP 187 N 0.25 0.00 -0.09 7.04 3.32 -1.10 0.13 116.42 125.97 3hka h ASP 187 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 3hka h ASP 187 Cb 0.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 3hka h ASP 187 CO -0.21 0.01 0.00 0.79 -1.72 0.00 0.00 179.24 178.10 3hka n TRP 188 N -3.65 0.10 -0.21 4.55 8.01 -0.05 -4.91 117.44 121.28 3hka n TRP 188 Ca -0.03 -0.05 0.00 0.00 -1.31 0.00 0.00 57.50 56.11 3hka n TRP 188 Cb 0.09 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.39 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 1.18 0.81 3.39 6.99 0.00 0.44 -5.02 105.19 112.98 3hka n GLY 189 Ca 0.18 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.13 3.15 -0.25 1.61 2.02 0.04 -4.96 117.35 116.83 3hka s TYR 190 Ca 0.00 -1.23 -0.17 0.00 -0.37 0.00 0.00 57.07 55.30 3hka s TYR 190 Cb 0.00 -4.05 -0.18 0.00 -0.40 0.00 0.00 41.96 37.32 3hka s TYR 190 CO 0.00 -1.30 1.53 1.63 -1.57 0.00 0.00 175.55 175.84 3hka n LYS 191 N 6.01 0.52 -3.01 -0.62 5.02 -1.26 -3.20 118.16 121.62 3hka n LYS 191 Ca 0.02 -1.05 -0.39 0.00 -2.02 0.00 0.00 58.31 54.87 3hka n LYS 191 Cb 0.45 -2.41 -0.06 0.00 -0.02 0.00 0.00 35.03 32.99 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 5.60 4.40 0.60 -0.18 -7.23 -1.26 -4.50 120.40 117.82 3hka s VAL 192 Ca 0.42 1.66 0.02 0.00 -1.81 0.00 0.00 61.98 62.27 3hka s VAL 192 Cb 0.10 -4.12 0.06 0.00 0.56 0.00 0.00 36.38 32.98 3hka s VAL 192 CO 0.16 0.53 0.83 0.20 -0.31 0.00 0.00 175.10 176.50 3hka s ASN 193 N -1.14 5.00 0.18 4.85 0.01 -1.26 -4.95 114.94 117.62 3hka s ASN 193 Ca 0.35 -0.20 -0.13 0.00 -0.71 0.00 0.00 52.86 52.17 3hka s ASN 193 Cb -0.23 -0.51 0.07 0.00 0.41 0.00 0.00 41.25 40.99 3hka s ASN 193 CO 0.26 -1.36 1.81 0.44 -1.51 0.00 0.00 177.10 176.74 3hka h ASP 194 N -0.07 0.67 -1.90 -1.22 3.32 -2.03 -3.43 116.42 111.76 3hka h ASP 194 Ca -0.39 -0.05 -0.44 0.00 0.02 0.00 0.00 57.03 56.16 3hka h ASP 194 Cb 1.29 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.67 3hka h ASP 194 CO 0.47 0.53 -0.35 -1.83 -1.72 0.00 0.00 179.24 176.34 3hka s GLU 195 N -6.00 3.19 -0.99 3.56 -1.05 -1.26 -5.03 118.70 111.12 3hka s GLU 195 Ca -0.13 -0.95 -0.21 0.00 -0.15 0.00 0.00 54.97 53.53 3hka s GLU 195 Cb 0.13 -2.83 0.08 0.00 -0.44 0.00 0.00 34.13 31.07 3hka s GLU 195 CO 0.76 0.13 1.32 -0.46 0.95 0.00 0.00 175.26 177.96 3hka s TRP 196 N -2.14 2.78 0.42 4.83 -0.11 -1.26 -4.73 118.94 118.73 3hka s TRP 196 Ca 0.43 -1.08 0.01 0.00 1.22 0.00 0.00 56.10 56.67 3hka s TRP 196 Cb -0.09 -4.52 -0.00 0.00 -1.50 0.00 0.00 33.47 27.35 3hka s TRP 196 CO 0.31 -1.75 0.03 0.27 -4.62 0.00 0.00 176.95 171.19 3hka n ASN 197 N 7.89 2.81 -0.29 5.86 0.23 -1.26 -4.98 115.26 125.53 3hka n ASN 197 Ca 0.29 -2.91 0.10 0.00 -0.53 0.00 0.00 54.58 51.54 3hka n ASN 197 Cb 0.50 0.42 0.25 0.00 -2.08 0.00 0.00 39.78 38.87 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 0.19 0.01 -3.83 4.57 -1.99 -1.25 114.58 112.27 3hka h GLU 198 Ca -0.35 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 57.82 3hka h GLU 198 Cb 1.09 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.64 3hka h GLU 198 CO 0.57 0.13 -0.01 0.78 -1.18 0.00 0.00 179.01 179.30 3hka h GLY 199 N 0.20 -0.02 0.74 1.92 0.00 -1.95 -0.89 103.07 103.07 3hka h GLY 199 Ca 0.51 0.01 0.03 0.00 0.00 0.00 0.00 47.33 47.88 3hka h GLY 199 CO -0.64 -0.01 0.10 1.76 0.00 0.00 0.00 176.54 177.75 3hka h SER 200 N -0.06 0.11 -0.07 0.19 0.02 -1.51 -0.95 113.55 111.28 3hka h SER 200 Ca -0.00 0.03 0.03 0.00 -0.84 0.00 0.00 61.79 61.02 3hka h SER 200 Cb 0.05 0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.57 3hka h SER 200 CO 0.00 0.10 -0.18 0.40 -1.14 0.00 0.00 176.83 176.01 3hka h ILE 201 N 0.23 0.56 -0.76 3.27 2.04 -1.11 -0.45 117.51 121.29 3hka h ILE 201 Ca 0.14 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.99 3hka h ILE 201 Cb 0.11 0.56 -0.04 0.00 -0.74 0.00 0.00 36.82 36.71 3hka h ILE 201 CO -0.14 0.00 0.46 1.56 0.00 0.00 0.00 178.15 180.02 3hka h GLN 202 N -0.25 1.03 -0.46 2.37 1.08 -0.86 -0.85 115.11 117.17 3hka h GLN 202 Ca 0.08 -0.09 -0.12 0.00 -1.45 0.00 0.00 58.65 57.06 3hka h GLN 202 Cb 0.36 -0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 27.56 3hka h GLN 202 CO -0.21 0.73 -0.20 0.93 -0.95 0.00 0.00 178.83 179.12 3hka h GLU 203 N 1.03 0.94 -0.72 1.46 4.39 -0.90 0.14 114.58 120.93 3hka h GLU 203 Ca 0.27 -0.40 -0.05 0.00 0.34 0.00 0.00 59.36 59.51 3hka h GLU 203 Cb -0.04 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.55 3hka h GLU 203 CO -0.05 1.07 0.24 0.28 -1.16 0.00 0.00 179.01 179.38 3hka h VAL 204 N 0.78 1.26 -0.48 3.13 2.07 -0.89 0.12 116.25 122.25 3hka h VAL 204 Ca 0.10 -0.88 -0.07 0.00 0.82 0.00 0.00 66.70 66.68 3hka h VAL 204 Cb 0.77 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 3hka h VAL 204 CO 0.06 0.34 0.02 0.11 0.02 0.00 0.00 177.57 178.13 3hka h LYS 205 N 1.06 0.78 -0.62 1.57 1.57 -0.87 -1.05 116.57 119.01 3hka h LYS 205 Ca 0.23 -0.20 -0.09 0.00 -1.87 0.00 0.00 60.65 58.73 3hka h LYS 205 Cb 0.29 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 3hka h LYS 205 CO -0.01 0.78 0.05 -0.09 -0.57 0.00 0.00 179.45 179.61 3hka h ARG 206 N 0.74 1.05 0.04 3.15 2.43 -0.04 0.30 114.38 122.06 3hka h ARG 206 Ca 0.15 -0.30 0.01 0.00 -0.81 0.00 0.00 59.98 59.02 3hka h ARG 206 Cb 0.42 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 3hka h ARG 206 CO 0.02 1.00 -0.08 0.35 -1.51 0.00 0.00 179.97 179.74 3hka h PHE 207 N 0.97 -0.21 -0.28 2.20 3.57 -0.11 0.19 116.94 123.27 3hka h PHE 207 Ca 0.18 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.69 3hka h PHE 207 Cb 0.49 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.30 3hka h PHE 207 CO 0.03 -0.13 0.17 -0.07 -2.23 0.00 0.00 178.31 176.09 3hka h LEU 208 N -0.16 0.29 -0.67 0.59 3.38 -0.91 -2.49 115.31 115.34 3hka h LEU 208 Ca 0.02 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 3hka h LEU 208 Cb 0.18 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 3hka h LEU 208 CO -0.05 0.21 0.26 0.74 0.09 0.00 0.00 178.44 179.69 3hka h THR 209 N 0.36 1.24 -0.66 0.22 2.02 -0.70 0.12 112.91 115.52 3hka h THR 209 Ca 0.11 -0.77 0.03 0.00 0.77 0.00 0.00 66.41 66.54 3hka h THR 209 Cb -0.02 0.49 -0.04 0.00 -1.74 0.00 0.00 68.15 66.84 3hka h THR 209 CO -0.04 0.30 0.41 0.44 0.37 0.00 0.00 175.52 177.00 3hka h ASP 210 N 0.95 0.67 0.63 4.18 3.32 -0.42 0.80 116.42 126.55 3hka h ASP 210 Ca 0.22 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.12 3hka h ASP 210 Cb 0.22 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 3hka h ASP 210 CO -0.02 0.46 -0.69 -0.50 -1.72 0.00 0.00 179.24 176.78 3hka h TRP 211 N 0.80 0.07 -0.52 4.55 4.06 -1.20 -1.36 115.95 122.35 3hka h TRP 211 Ca 0.26 -0.03 -0.10 0.00 2.06 0.00 0.00 58.89 61.08 3hka h TRP 211 Cb 0.02 -0.01 -0.02 0.00 -1.00 0.00 0.00 29.16 28.15 3hka h TRP 211 CO -0.05 0.73 -0.06 0.82 -3.56 0.00 0.00 178.44 176.32 3hka h ILE 212 N 0.04 1.26 -0.51 1.49 2.04 -0.38 0.65 117.51 122.09 3hka h ILE 212 Ca -0.01 -1.17 -0.10 0.00 1.00 0.00 0.00 64.86 64.58 3hka h ILE 212 Cb 1.22 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 38.21 3hka h ILE 212 CO 0.09 0.41 -0.08 -0.08 0.00 0.00 0.00 178.15 178.49 3hka h GLU 213 N 0.84 0.93 -0.03 2.37 4.81 -0.60 0.72 114.58 123.61 3hka h GLU 213 Ca 0.15 -0.32 -0.06 0.00 -0.13 0.00 0.00 59.36 59.00 3hka h GLU 213 Cb 0.58 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.89 3hka h GLU 213 CO 0.04 0.97 -0.20 0.00 -0.73 0.00 0.00 179.01 179.08 3hka h ARG 214 N 0.84 0.20 0.00 1.92 2.47 -0.88 -3.37 114.38 115.55 3hka h ARG 214 Ca 0.14 -0.17 -0.21 0.00 -1.26 0.00 0.00 59.98 58.48 3hka h ARG 214 Cb 0.61 0.04 -0.04 0.00 -1.65 0.00 0.00 29.97 28.93 3hka h ARG 214 CO 0.04 0.83 -1.49 0.52 0.56 0.00 0.00 179.97 180.43 3hka h MET 215 N -0.38 0.00 -5.97 0.04 2.86 -0.93 -3.49 114.93 107.06 3hka h MET 215 Ca -0.02 0.00 -0.38 0.00 -2.06 0.00 0.00 59.70 57.24 3hka h MET 215 Cb 0.87 0.00 0.10 0.00 0.06 0.00 0.00 31.60 32.63 3hka h MET 215 CO 0.04 0.38 -0.85 -3.47 1.06 0.00 0.00 176.91 174.07 3hka n ASP 216 N -2.96 -3.03 -4.76 1.22 2.03 0.24 -4.56 116.55 104.72 3hka n ASP 216 Ca -0.12 -0.83 -0.36 0.00 0.52 0.00 0.00 54.79 54.00 3hka n ASP 216 Cb 0.92 -4.21 0.01 0.00 -0.72 0.00 0.00 41.12 37.12 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 -5.65 3.36 0.42 -0.67 0.04 -1.26 -4.60 135.00 126.64 3hka s PRO 217 Ca 0.18 1.80 0.26 0.00 0.04 0.00 0.00 61.00 63.28 3hka s PRO 217 Cb -0.04 -2.15 0.68 0.00 0.04 0.00 0.00 34.50 33.03 3hka s PRO 217 CO 0.80 -0.89 1.73 -0.39 0.04 0.00 0.00 177.00 178.29 3hka h VAL 218 N 1.37 0.00 -1.74 -0.36 -1.51 -1.13 -3.47 116.25 109.40 3hka h VAL 218 Ca -0.50 -0.76 0.22 0.00 -1.23 0.00 0.00 66.70 64.42 3hka h VAL 218 Cb 1.27 1.75 -0.17 0.00 -2.13 0.00 0.00 31.29 32.01 3hka h VAL 218 CO 0.58 0.00 0.71 -0.72 -1.23 0.00 0.00 177.57 176.90 3hka s TYR 219 N -3.30 -0.18 -0.01 5.19 -0.85 -1.26 -4.26 117.35 112.67 3hka s TYR 219 Ca 0.06 0.09 -0.02 0.00 -0.52 0.00 0.00 57.07 56.68 3hka s TYR 219 Cb 0.07 0.53 -0.04 0.00 0.38 0.00 0.00 41.96 42.90 3hka s TYR 219 CO 0.61 -0.34 0.14 -1.64 -1.52 0.00 0.00 175.55 172.80 3hka s MET 220 N -2.66 3.28 0.09 -3.49 -1.94 -0.85 -1.64 119.30 112.09 3hka s MET 220 Ca 0.09 -0.38 -0.00 0.00 -1.71 0.00 0.00 55.69 53.68 3hka s MET 220 Cb -0.00 -3.00 -0.04 0.00 2.01 0.00 0.00 34.83 33.80 3hka s MET 220 CO -0.05 0.67 -0.01 0.00 -0.01 0.00 0.00 175.02 175.61 3hka s ALA 221 N -1.26 0.74 -0.20 3.03 0.00 -0.03 -0.04 121.76 124.01 3hka s ALA 221 Ca 0.25 -1.33 -0.27 0.00 0.00 0.00 0.00 51.96 50.61 3hka s ALA 221 Cb -0.12 0.43 0.07 0.00 0.00 0.00 0.00 23.12 23.50 3hka s ALA 221 CO 0.16 -0.38 0.70 0.54 0.00 0.00 0.00 175.76 176.79 3hka s VAL 222 N -3.89 0.00 -0.11 0.00 0.11 -0.67 -0.90 120.40 114.94 3hka s VAL 222 Ca 0.14 -0.00 -0.05 0.00 -2.93 0.00 0.00 61.98 59.13 3hka s VAL 222 Cb 0.07 -0.99 -0.04 0.00 -1.53 0.00 0.00 36.38 33.89 3hka s VAL 222 CO -0.05 -0.00 0.09 -0.94 -3.33 0.00 0.00 175.10 170.87 3hka s SER 223 N -0.11 5.98 0.15 3.54 1.04 -1.26 -1.20 113.70 121.84 3hka s SER 223 Ca -0.03 0.35 0.07 0.00 0.48 0.00 0.00 55.95 56.82 3hka s SER 223 Cb -0.03 -1.86 -0.04 0.00 0.10 0.00 0.00 66.02 64.19 3hka s SER 223 CO 0.04 0.40 -0.16 -0.76 0.98 0.00 0.00 173.24 173.74 3hka s LEU 224 N -0.98 2.44 0.77 2.42 1.43 0.15 -4.91 118.68 120.00 3hka s LEU 224 Ca 0.14 -0.86 -0.11 0.00 -1.03 0.00 0.00 54.13 52.27 3hka s LEU 224 Cb -0.12 -0.68 0.05 0.00 0.03 0.00 0.00 46.19 45.47 3hka s LEU 224 CO 0.03 -0.10 1.10 -2.16 0.23 0.00 0.00 176.35 175.45 3hka s PRO 225 N -2.86 2.35 0.58 1.29 0.04 -1.25 -0.57 135.00 134.58 3hka s PRO 225 Ca 0.14 0.57 0.28 0.00 0.04 0.00 0.00 61.00 62.03 3hka s PRO 225 Cb -0.05 -1.95 1.70 0.00 0.04 0.00 0.00 34.50 34.24 3hka s PRO 225 CO 0.05 -1.42 2.19 -1.35 0.04 0.00 0.00 177.00 176.51 3hka h PRO 226 N -0.94 0.00 -0.11 0.56 0.11 -1.77 -1.33 132.00 128.53 3hka h PRO 226 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3hka h PRO 226 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3hka h PRO 226 CO 0.61 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.65 3hka n THR 227 N -3.92 0.14 -1.67 -1.15 -2.24 -1.26 -3.96 114.28 100.22 3hka n THR 227 Ca -0.01 -0.19 -0.51 0.00 -2.27 0.00 0.00 64.05 61.07 3hka n THR 227 Cb 0.18 0.06 -0.06 0.00 -2.10 0.00 0.00 70.33 68.41 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 -0.18 2.05 -4.16 4.78 7.35 -0.50 -4.97 117.46 121.82 3hka n PHE 228 Ca 0.13 0.36 -0.17 0.00 -0.76 0.00 0.00 57.45 57.00 3hka n PHE 228 Cb 0.18 -2.50 -0.12 0.00 0.35 0.00 0.00 39.48 37.39 3hka n PHE 228 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 3hka s SER 229 N 2.45 1.54 -0.28 -2.13 0.01 -1.26 -4.66 113.70 109.37 3hka s SER 229 Ca 0.90 -0.65 -0.17 0.00 1.31 0.00 0.00 55.95 57.34 3hka s SER 229 Cb -0.86 -0.03 0.10 0.00 0.21 0.00 0.00 66.02 65.44 3hka s SER 229 CO 0.52 -0.13 0.80 0.12 0.41 0.00 0.00 173.24 174.95 3hka s PHE 230 N -1.54 -0.88 1.04 2.43 2.19 -1.26 -4.48 117.98 115.48 3hka s PHE 230 Ca -0.01 1.77 -0.12 0.00 0.33 0.00 0.00 56.93 58.90 3hka s PHE 230 Cb -0.08 0.52 0.22 0.00 -1.31 0.00 0.00 43.02 42.36 3hka s PHE 230 CO 0.02 -0.43 1.08 -2.14 1.83 0.00 0.00 175.22 175.57 3hka s PRO 231 N 1.46 0.03 -0.28 10.12 0.02 -1.26 -4.17 135.00 140.92 3hka s PRO 231 Ca -0.09 1.07 -0.17 0.00 0.02 0.00 0.00 61.00 61.82 3hka s PRO 231 Cb -0.05 -1.65 0.11 0.00 0.02 0.00 0.00 34.50 32.93 3hka s PRO 231 CO -0.17 -3.15 0.83 -2.00 -0.33 0.00 0.00 177.00 172.18 3hka s GLU 232 N -4.60 0.57 -1.29 5.54 2.12 -1.26 -5.07 118.70 114.72 3hka s GLU 232 Ca 0.67 0.94 -0.13 0.00 0.36 0.00 0.00 54.97 56.80 3hka s GLU 232 Cb -0.23 0.14 0.13 0.00 0.26 0.00 0.00 34.13 34.43 3hka s GLU 232 CO 0.61 -0.11 1.75 0.39 -0.54 0.00 0.00 175.26 177.36 3hka n GLU 233 N 3.78 3.32 -4.14 4.30 -0.58 -1.26 -3.91 120.64 122.16 3hka n GLU 233 Ca -0.18 -3.44 -0.11 0.00 -0.42 0.00 0.00 57.16 53.00 3hka n GLU 233 Cb 0.58 -3.14 -0.09 0.00 -0.57 0.00 0.00 31.44 28.22 3hka n GLU 233 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3hka s SER 234 N 2.62 0.11 0.19 1.62 1.04 -1.26 -5.00 113.70 113.03 3hka s SER 234 Ca 0.45 -1.24 -0.12 0.00 0.48 0.00 0.00 55.95 55.52 3hka s SER 234 Cb 0.05 0.41 0.15 0.00 0.10 0.00 0.00 66.02 66.73 3hka s SER 234 CO 0.01 -0.89 1.82 0.78 0.98 0.00 0.00 173.24 175.94 3hka h ASN 235 N 2.57 0.57 -0.54 7.02 2.35 -1.91 -0.39 115.58 125.26 3hka h ASN 235 Ca -0.34 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.42 3hka h ASN 235 Cb 1.24 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 39.48 3hka h ASN 235 CO 0.50 0.39 0.33 -0.09 -1.65 0.00 0.00 177.43 176.91 3hka h ARG 236 N 0.69 0.73 -0.64 0.81 2.43 -1.91 -0.20 114.38 116.29 3hka h ARG 236 Ca 0.25 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.34 3hka h ARG 236 Cb 0.06 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.42 3hka h ARG 236 CO -0.12 0.51 0.31 0.78 -1.51 0.00 0.00 179.97 179.95 3hka h GLY 237 N 0.73 0.98 1.14 2.80 0.00 -1.53 -1.86 103.07 105.33 3hka h GLY 237 Ca 0.19 -0.48 -0.19 0.00 0.00 0.00 0.00 47.33 46.86 3hka h GLY 237 CO -0.04 0.45 -0.55 3.21 0.00 0.00 0.00 176.54 179.62 3hka h ARG 238 N 0.88 0.87 -0.28 4.80 3.08 -0.86 -2.34 114.38 120.53 3hka h ARG 238 Ca 0.22 -0.56 -0.01 0.00 0.07 0.00 0.00 59.98 59.70 3hka h ARG 238 Cb 0.10 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 3hka h ARG 238 CO -0.03 1.19 0.12 0.82 -1.07 0.00 0.00 179.97 181.00 3hka h ILE 239 N 0.65 1.17 -0.15 2.04 2.04 -0.95 0.31 117.51 122.62 3hka h ILE 239 Ca 0.01 -0.50 0.00 0.00 1.00 0.00 0.00 64.86 65.37 3hka h ILE 239 Cb 1.16 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 38.22 3hka h ILE 239 CO 0.12 0.17 0.10 0.40 0.00 0.00 0.00 178.15 178.94 3hka h ILE 240 N 0.30 1.05 0.19 -0.67 2.04 -1.37 0.13 117.51 119.18 3hka h ILE 240 Ca 0.09 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 3hka h ILE 240 Cb 0.16 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 3hka h ILE 240 CO -0.01 0.05 -0.09 -0.09 0.00 0.00 0.00 178.15 178.01 3hka h ARG 241 N 0.20 -0.25 0.00 2.37 2.43 -1.23 -1.45 114.38 116.45 3hka h ARG 241 Ca 0.06 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 3hka h ARG 241 Cb -0.01 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.59 3hka h ARG 241 CO -0.01 0.09 -0.55 -0.44 -1.51 0.00 0.00 179.97 177.55 3hka h ASP 242 N -0.60 0.00 0.00 -3.80 3.32 -0.44 -3.41 116.42 111.49 3hka h ASP 242 Ca -0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.02 3hka h ASP 242 Cb 0.44 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.99 3hka h ASP 242 CO 0.04 0.02 -0.02 0.00 -1.72 0.00 0.00 179.24 177.56 3hka h LEU 244 N -0.02 -0.82 -0.11 0.00 7.12 -1.22 -2.29 115.31 117.97 3hka h LEU 244 Ca 0.00 0.07 0.01 0.00 0.13 0.00 0.00 57.88 58.09 3hka h LEU 244 Cb 0.02 0.28 -0.01 0.00 -0.53 0.00 0.00 40.66 40.42 3hka h LEU 244 CO 0.00 -0.43 0.04 -0.07 -0.13 0.00 0.00 178.44 177.85 3hka h LEU 245 N -0.64 0.06 -0.58 2.25 3.38 -1.50 0.15 115.31 118.43 3hka h LEU 245 Ca -0.01 0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3hka h LEU 245 Cb 0.58 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 3hka h LEU 245 CO -0.06 0.05 0.37 -0.65 0.09 0.00 0.00 178.44 178.24 3hka h PRO 246 N 0.10 0.73 -0.59 1.13 0.11 -1.78 -0.25 132.00 131.46 3hka h PRO 246 Ca 0.04 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 66.03 3hka h PRO 246 Cb 0.01 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 30.94 3hka h PRO 246 CO -0.04 0.48 0.04 0.28 -0.21 0.00 0.00 178.00 178.55 3hka h VAL 247 N 0.75 1.26 -0.73 3.15 2.07 -1.23 -1.23 116.25 120.28 3hka h VAL 247 Ca 0.22 -1.08 -0.03 0.00 0.82 0.00 0.00 66.70 66.63 3hka h VAL 247 Cb -0.04 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 3hka h VAL 247 CO -0.07 0.39 0.34 0.00 0.02 0.00 0.00 177.57 178.25 3hka h ALA 248 N 0.99 0.95 0.07 1.67 0.00 -0.27 -1.64 119.26 121.02 3hka h ALA 248 Ca 0.17 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3hka h ALA 248 Cb 0.50 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3hka h ALA 248 CO 0.02 0.53 -0.04 1.49 0.00 0.00 0.00 179.25 181.25 3hka h GLU 249 N 1.03 -0.09 -0.94 0.00 4.81 -0.87 0.23 114.58 118.74 3hka h GLU 249 Ca 0.25 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.60 3hka h GLU 249 Cb 0.14 0.02 -0.08 0.00 0.63 0.00 0.00 28.75 29.46 3hka h GLU 249 CO -0.03 0.17 0.57 -0.22 -0.73 0.00 0.00 179.01 178.77 3hka h LYS 250 N -0.35 0.89 -0.43 1.92 3.64 -1.03 -0.57 116.57 120.63 3hka h LYS 250 Ca -0.01 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3hka h LYS 250 Cb 0.31 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 3hka h LYS 250 CO 0.02 0.59 0.00 0.72 -2.27 0.00 0.00 179.45 178.51 3hka n HIS 251 N -4.67 0.57 -4.06 1.91 8.25 -0.63 -4.94 115.22 111.65 3hka n HIS 251 Ca 0.17 -0.28 -0.32 0.00 -0.26 0.00 0.00 57.72 57.03 3hka n HIS 251 Cb 0.33 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.44 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 1.16 -3.37 -4.66 0.41 4.05 0.36 -4.95 115.26 108.25 3hka n ASN 252 Ca 0.19 -0.92 -0.35 0.00 0.45 0.00 0.00 54.58 53.95 3hka n ASN 252 Cb 0.51 -3.26 -0.09 0.00 1.23 0.00 0.00 39.78 38.16 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 -3.40 4.77 0.77 -1.44 1.01 0.53 -4.90 121.20 118.54 3hka s ILE 253 Ca 0.59 -0.05 -0.10 0.00 0.00 0.00 0.00 60.65 61.08 3hka s ILE 253 Cb -0.31 -3.13 0.06 0.00 0.01 0.00 0.00 42.46 39.09 3hka s ILE 253 CO 0.88 0.49 1.09 -2.84 0.00 0.00 0.00 174.94 174.57 3hka s PRO 254 N 0.11 2.24 -0.24 2.79 0.02 -1.26 -4.59 135.00 134.08 3hka s PRO 254 Ca 0.05 1.17 -0.01 0.00 0.02 0.00 0.00 61.00 62.22 3hka s PRO 254 Cb -0.12 -1.90 0.02 0.00 0.02 0.00 0.00 34.50 32.53 3hka s PRO 254 CO 0.01 -1.65 -0.07 0.12 -0.33 0.00 0.00 177.00 175.07 3hka s PHE 255 N -2.90 3.04 -0.18 6.54 5.36 0.12 -2.01 117.98 127.94 3hka s PHE 255 Ca 0.61 -1.54 -0.15 0.00 -0.96 0.00 0.00 56.93 54.90 3hka s PHE 255 Cb -0.17 -2.05 -0.04 0.00 -0.34 0.00 0.00 43.02 40.42 3hka s PHE 255 CO 0.56 -0.73 0.34 0.00 -1.46 0.00 0.00 175.22 173.93 3hka s ALA 256 N 1.33 3.57 -0.15 11.12 0.00 0.95 -1.06 121.76 137.51 3hka s ALA 256 Ca 0.01 -0.51 0.02 0.00 0.00 0.00 0.00 51.96 51.48 3hka s ALA 256 Cb -0.16 -2.51 0.01 0.00 0.00 0.00 0.00 23.12 20.46 3hka s ALA 256 CO -0.05 -0.12 -0.22 -1.64 0.00 0.00 0.00 175.76 173.73 3hka s MET 257 N 0.92 2.99 -0.44 0.00 -1.94 0.86 -1.68 119.30 120.02 3hka s MET 257 Ca 0.17 -0.84 -0.03 0.00 -1.71 0.00 0.00 55.69 53.28 3hka s MET 257 Cb -0.14 -2.44 0.12 0.00 2.01 0.00 0.00 34.83 34.38 3hka s MET 257 CO 0.06 -0.05 0.25 -1.64 -0.01 0.00 0.00 175.02 173.63 3hka s MET 258 N 0.90 2.12 -0.12 2.03 -1.94 -0.34 -2.06 119.30 119.89 3hka s MET 258 Ca -0.05 -1.90 -0.08 0.00 -1.71 0.00 0.00 55.69 51.95 3hka s MET 258 Cb -0.15 -3.64 -0.04 0.00 2.01 0.00 0.00 34.83 33.01 3hka s MET 258 CO -0.04 -1.10 0.16 0.42 -0.01 0.00 0.00 175.02 174.45 3hka s ILE 259 N 1.01 5.48 0.00 2.53 1.01 -0.62 0.33 121.20 130.94 3hka s ILE 259 Ca 0.09 0.25 0.00 0.00 0.00 0.00 0.00 60.65 60.99 3hka s ILE 259 Cb -0.23 -3.42 0.00 0.00 0.01 0.00 0.00 42.46 38.82 3hka s ILE 259 CO -0.04 0.61 0.00 0.61 0.00 0.00 0.00 174.94 176.12 3hka n GLY 260 N 2.03 1.11 3.71 6.18 0.00 0.26 -0.44 105.19 118.04 3hka n GLY 260 Ca -0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.80 5.02 -0.47 1.61 0.11 -0.86 -1.87 120.40 122.14 3hka s VAL 261 Ca 0.00 1.51 -0.11 0.00 -2.93 0.00 0.00 61.98 60.45 3hka s VAL 261 Cb 0.00 -4.07 0.11 0.00 -1.53 0.00 0.00 36.38 30.89 3hka s VAL 261 CO 0.00 0.22 0.35 -0.75 -3.33 0.00 0.00 175.10 171.59 3hka s LYS 262 N 0.95 2.61 0.36 1.54 2.20 -0.27 -3.82 119.74 123.30 3hka s LYS 262 Ca 0.39 -1.66 -0.28 0.00 -0.36 0.00 0.00 55.97 54.06 3hka s LYS 262 Cb -0.18 -3.96 -0.10 0.00 -1.51 0.00 0.00 37.83 32.08 3hka s LYS 262 CO 0.18 -1.15 1.34 0.15 -0.36 0.00 0.00 175.35 175.51 3hka s LYS 263 N 1.43 4.23 -1.29 4.03 -0.14 -1.26 -0.71 119.74 126.03 3hka s LYS 263 Ca 0.05 2.26 -0.18 0.00 -1.36 0.00 0.00 55.97 56.74 3hka s LYS 263 Cb -0.26 -2.98 0.01 0.00 -1.68 0.00 0.00 37.83 32.92 3hka s LYS 263 CO 0.01 -0.31 0.54 0.54 -0.76 0.00 0.00 175.35 175.37 3hka n ARG 264 N 0.59 -1.27 0.18 1.68 5.12 -1.23 -4.87 116.66 116.87 3hka n ARG 264 Ca 0.01 0.25 0.14 0.00 -1.93 0.00 0.00 57.85 56.32 3hka n ARG 264 Cb 0.42 -3.56 0.44 0.00 -1.16 0.00 0.00 32.46 28.59 3hka n ARG 264 CO 0.00 0.00 0.00 -0.39 -1.93 0.00 0.00 177.63 175.31 3hka h VAL 265 N -2.13 0.00 -2.25 1.55 -1.51 -0.93 -3.29 116.25 107.69 3hka h VAL 265 Ca -0.68 -0.56 -0.58 0.00 -1.23 0.00 0.00 66.70 63.65 3hka h VAL 265 Cb 1.39 1.50 -0.39 0.00 -2.13 0.00 0.00 31.29 31.65 3hka h VAL 265 CO 0.56 0.00 -0.98 1.57 -1.23 0.00 0.00 177.57 177.49 3hka n HIS 266 N -2.67 -0.09 -0.36 5.19 -0.00 -0.95 -5.01 115.22 111.33 3hka n HIS 266 Ca 0.03 -3.54 0.27 0.00 -0.00 0.00 0.00 57.72 54.48 3hka n HIS 266 Cb 0.38 -0.11 0.56 0.00 -0.00 0.00 0.00 29.99 30.82 3hka n HIS 266 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 3hka h PRO 267 N 4.83 0.28 -0.06 1.57 0.13 -1.82 -0.81 132.00 136.12 3hka h PRO 267 Ca 0.17 -0.02 0.01 0.00 -0.87 0.00 0.00 66.00 65.29 3hka h PRO 267 Cb 0.87 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 31.93 3hka h PRO 267 CO 0.46 0.18 0.04 0.00 -0.23 0.00 0.00 178.00 178.46 3hka h ALA 268 N 1.61 2.00 0.00 -0.56 0.00 -1.95 -1.32 119.26 119.04 3hka h ALA 268 Ca 0.66 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.57 3hka h ALA 268 Cb 1.84 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.62 3hka h ALA 268 CO -0.32 -0.01 0.00 1.28 0.00 0.00 0.00 179.25 180.20 3hka n LEU 269 N -4.53 0.00 0.00 0.00 4.77 -0.31 -4.98 117.00 111.95 3hka n LEU 269 Ca -0.02 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 3hka n LEU 269 Cb 0.11 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 3hka n LEU 269 CO 0.34 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 3hka n GLY 270 N 0.61 3.46 0.04 -0.72 0.00 -0.50 -1.70 105.19 106.38 3hka n GLY 270 Ca 0.12 -0.12 0.06 0.00 0.00 0.00 0.00 46.02 46.08 3hka n GLY 270 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hka n ASP 271 N 5.53 0.16 -1.15 1.61 8.00 -1.26 -1.50 116.55 127.94 3hka n ASP 271 Ca 0.00 0.55 0.11 0.00 0.71 0.00 0.00 54.79 56.16 3hka n ASP 271 Cb 0.00 -0.58 0.28 0.00 -0.02 0.00 0.00 41.12 40.80 3hka n ASP 271 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hka n ALA 272 N -1.57 2.41 -0.81 2.24 0.00 -0.69 -4.39 120.51 117.70 3hka n ALA 272 Ca 0.02 -1.07 0.08 0.00 0.00 0.00 0.00 53.44 52.47 3hka n ALA 272 Cb 0.11 -0.94 0.34 0.00 0.00 0.00 0.00 19.45 18.95 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 1.50 3.23 3.88 0.00 0.00 -0.56 -4.85 105.19 108.38 3hka n GLY 273 Ca 0.21 -0.91 -0.33 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.17 6.62 0.08 1.61 1.01 -1.26 -0.43 116.67 123.13 3hka s ASP 274 Ca 0.48 0.83 0.00 0.00 0.71 0.00 0.00 52.55 54.58 3hka s ASP 274 Cb 0.35 -2.19 -0.00 0.00 1.01 0.00 0.00 42.92 42.09 3hka s ASP 274 CO 0.16 0.02 0.00 0.33 0.21 0.00 0.00 175.17 175.89 3hka n PHE 275 N 0.20 0.18 -4.18 4.23 7.35 0.11 -4.90 117.46 120.45 3hka n PHE 275 Ca -0.02 -0.38 -0.12 0.00 -0.76 0.00 0.00 57.45 56.16 3hka n PHE 275 Cb 0.52 -0.05 -0.10 0.00 0.35 0.00 0.00 39.48 40.20 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 -1.28 0.83 -0.03 -2.13 0.11 -1.26 -1.12 120.40 115.52 3hka s VAL 276 Ca 0.00 -1.80 -0.24 0.00 -2.93 0.00 0.00 61.98 57.01 3hka s VAL 276 Cb 0.00 -1.53 0.05 0.00 -1.53 0.00 0.00 36.38 33.37 3hka s VAL 276 CO 0.00 -0.72 0.52 -0.83 -3.33 0.00 0.00 175.10 170.74 3hka s GLY 277 N -2.77 -0.40 0.17 6.54 0.00 -0.78 -4.84 107.32 105.24 3hka s GLY 277 Ca 0.09 0.87 -0.30 0.00 0.00 0.00 0.00 44.72 45.38 3hka s GLY 277 CO -0.02 0.58 1.11 1.25 0.00 0.00 0.00 173.10 176.02 3hka s LYS 278 N -1.32 4.58 0.32 2.90 2.20 -1.26 -4.43 119.74 122.72 3hka s LYS 278 Ca -0.12 1.74 0.07 0.00 -0.36 0.00 0.00 55.97 57.30 3hka s LYS 278 Cb -0.02 -3.28 -0.02 0.00 -1.51 0.00 0.00 37.83 33.00 3hka s LYS 278 CO 0.07 0.04 0.33 0.00 -0.36 0.00 0.00 175.35 175.43 3hka s ALA 279 N -0.17 3.91 0.36 3.13 0.00 -1.26 -4.77 121.76 122.95 3hka s ALA 279 Ca 0.50 -1.54 -0.18 0.00 0.00 0.00 0.00 51.96 50.74 3hka s ALA 279 Cb -0.30 -1.35 -0.10 0.00 0.00 0.00 0.00 23.12 21.37 3hka s ALA 279 CO 0.35 0.05 0.83 0.45 0.00 0.00 0.00 175.76 177.44 3hka s SER 280 N -4.01 6.89 0.03 0.00 0.15 -1.25 -4.96 113.70 110.54 3hka s SER 280 Ca 0.40 1.48 0.25 0.00 0.70 0.00 0.00 55.95 58.78 3hka s SER 280 Cb -0.07 -2.45 0.50 0.00 -1.71 0.00 0.00 66.02 62.28 3hka s SER 280 CO 0.28 -0.24 1.41 0.23 1.20 0.00 0.00 173.24 176.11 3hka n MET 281 N -0.35 0.09 -0.25 5.44 2.81 -1.26 -4.40 117.12 119.19 3hka n MET 281 Ca 0.04 0.02 0.05 0.00 -1.81 0.00 0.00 57.70 56.00 3hka n MET 281 Cb 0.53 -1.55 0.15 0.00 -0.71 0.00 0.00 33.22 31.64 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 0.00 -0.35 -0.39 7.83 5.19 -1.93 0.35 116.42 127.12 3hka h ASP 282 Ca 0.00 0.19 -0.02 0.00 -0.62 0.00 0.00 57.03 56.58 3hka h ASP 282 Cb 0.57 0.34 -0.02 0.00 0.18 0.00 0.00 39.33 40.40 3hka h ASP 282 CO 0.00 -0.17 0.18 1.23 -3.12 0.00 0.00 179.24 177.36 3hka h GLY 283 N 0.10 0.61 1.01 2.75 0.00 -1.77 -0.58 103.07 105.20 3hka h GLY 283 Ca 0.40 -0.31 -0.09 0.00 0.00 0.00 0.00 47.33 47.33 3hka h GLY 283 CO -0.65 0.30 -0.05 -2.08 0.00 0.00 0.00 176.54 174.05 3hka h VAL 284 N 0.50 1.27 -0.19 4.60 2.07 -1.68 -1.73 116.25 121.08 3hka h VAL 284 Ca 0.13 -1.14 0.03 0.00 0.82 0.00 0.00 66.70 66.54 3hka h VAL 284 Cb 0.13 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 3hka h VAL 284 CO -0.02 0.39 0.02 -0.08 0.02 0.00 0.00 177.57 177.91 3hka h GLU 285 N 0.71 0.09 -0.05 1.57 4.81 -0.78 -1.02 114.58 119.91 3hka h GLU 285 Ca 0.13 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.37 3hka h GLU 285 Cb 0.57 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.92 3hka h GLU 285 CO 0.03 0.06 -0.05 1.25 -0.73 0.00 0.00 179.01 179.57 3hka h HIS 286 N 0.09 -0.11 -0.27 0.92 2.76 -0.98 -1.61 115.15 115.94 3hka h HIS 286 Ca 0.09 0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.31 3hka h HIS 286 Cb 0.10 0.06 -0.04 0.00 1.55 0.00 0.00 27.41 29.07 3hka h HIS 286 CO -0.16 -0.08 -0.01 -0.07 -1.30 0.00 0.00 177.93 176.32 3hka h LEU 287 N -0.06 -0.13 -0.30 0.26 3.38 -1.09 0.82 115.31 118.19 3hka h LEU 287 Ca 0.04 0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.08 3hka h LEU 287 Cb 0.11 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3hka h LEU 287 CO -0.09 -0.03 0.18 -0.07 0.09 0.00 0.00 178.44 178.52 3hka h LEU 288 N 0.07 0.29 0.04 1.67 3.38 -1.01 -1.67 115.31 118.08 3hka h LEU 288 Ca 0.13 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 3hka h LEU 288 Cb 0.18 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3hka h LEU 288 CO -0.23 0.22 -0.02 -0.09 0.09 0.00 0.00 178.44 178.41 3hka h ARG 289 N 0.37 -0.05 0.00 1.13 2.43 -1.09 -3.33 114.38 113.83 3hka h ARG 289 Ca 0.12 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 3hka h ARG 289 Cb -0.01 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3hka h ARG 289 CO -0.05 0.47 0.00 0.39 -1.51 0.00 0.00 179.97 179.27 3hka n GLU 290 N -4.86 0.05 -3.21 0.20 -0.58 0.26 -3.91 120.64 108.60 3hka n GLU 290 Ca -0.09 0.14 -0.24 0.00 -0.42 0.00 0.00 57.16 56.55 3hka n GLU 290 Cb 0.28 -1.57 -0.06 0.00 -0.57 0.00 0.00 31.44 29.52 3hka n GLU 290 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 3hka n TYR 291 N -1.66 1.79 0.31 -0.32 4.01 -0.63 -4.93 117.16 115.74 3hka n TYR 291 Ca 0.05 -3.87 0.20 0.00 -0.16 0.00 0.00 57.90 54.12 3hka n TYR 291 Cb 0.29 -0.45 1.03 0.00 -0.31 0.00 0.00 39.34 39.90 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 3.64 0.00 -0.02 -0.72 0.13 -1.68 -1.49 132.00 131.86 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 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 3hka h PRO 292 CO 0.65 0.00 -0.01 0.09 -0.23 0.00 0.00 178.00 178.50 3hka n ASN 293 N -2.93 1.75 -4.73 1.44 5.03 -1.26 -4.87 115.26 109.69 3hka n ASN 293 Ca -0.02 -1.57 -0.31 0.00 0.87 0.00 0.00 54.58 53.54 3hka n ASN 293 Cb 0.10 0.00 -0.07 0.00 -1.02 0.00 0.00 39.78 38.79 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 -2.01 5.32 -0.05 6.41 -0.87 -0.56 -4.77 114.94 118.40 3hka s ASN 294 Ca 0.36 -0.03 -0.00 0.00 -1.57 0.00 0.00 52.86 51.61 3hka s ASN 294 Cb 0.21 -1.39 -0.03 0.00 -0.02 0.00 0.00 41.25 40.01 3hka s ASN 294 CO 0.33 0.21 0.00 -0.54 -2.57 0.00 0.00 177.10 174.54 3hka s LYS 295 N -2.09 2.91 -0.06 -0.60 1.02 -1.26 -4.86 119.74 114.80 3hka s LYS 295 Ca 0.25 -0.49 0.02 0.00 0.02 0.00 0.00 55.97 55.77 3hka s LYS 295 Cb -0.12 -2.75 0.02 0.00 -0.52 0.00 0.00 37.83 34.46 3hka s LYS 295 CO 0.17 0.67 -0.10 -0.06 -0.92 0.00 0.00 175.35 175.12 3hka s PHE 296 N -0.97 1.20 -0.18 3.18 0.08 0.03 -0.70 117.98 120.62 3hka s PHE 296 Ca 0.16 -0.41 -0.06 0.00 0.12 0.00 0.00 56.93 56.74 3hka s PHE 296 Cb -0.11 -0.92 -0.03 0.00 -0.57 0.00 0.00 43.02 41.39 3hka s PHE 296 CO 0.06 -0.24 0.01 -0.51 -0.10 0.00 0.00 175.22 174.44 3hka s LEU 297 N 0.72 3.47 0.01 -0.37 1.43 -0.23 -0.84 118.68 122.88 3hka s LEU 297 Ca -0.13 -0.07 0.02 0.00 -1.03 0.00 0.00 54.13 52.92 3hka s LEU 297 Cb -0.15 -1.87 -0.01 0.00 0.03 0.00 0.00 46.19 44.19 3hka s LEU 297 CO 0.03 0.13 -0.08 -0.69 0.23 0.00 0.00 176.35 175.97 3hka s VAL 298 N 0.59 0.61 -0.06 -1.59 1.01 -0.58 -0.10 120.40 120.29 3hka s VAL 298 Ca 0.00 -0.55 -0.06 0.00 0.00 0.00 0.00 61.98 61.37 3hka s VAL 298 Cb -0.14 -0.56 0.02 0.00 0.00 0.00 0.00 36.38 35.70 3hka s VAL 298 CO 0.02 0.02 0.17 0.28 0.00 0.00 0.00 175.10 175.58 3hka s THR 299 N -0.51 0.01 0.10 3.92 -1.32 -0.87 -1.72 115.64 115.23 3hka s THR 299 Ca -0.00 -0.05 0.09 0.00 -1.21 0.00 0.00 61.69 60.52 3hka s THR 299 Cb -0.05 -0.26 -0.03 0.00 -1.51 0.00 0.00 72.50 70.65 3hka s THR 299 CO 0.00 -0.03 -0.24 -0.04 -2.21 0.00 0.00 174.62 172.11 3hka s MET 300 N -0.02 1.33 0.09 7.08 -1.94 -1.26 -1.59 119.30 122.99 3hka s MET 300 Ca -0.01 -1.19 0.04 0.00 -1.71 0.00 0.00 55.69 52.82 3hka s MET 300 Cb -0.02 -1.65 -0.23 0.00 2.01 0.00 0.00 34.83 34.94 3hka s MET 300 CO 0.00 0.40 1.17 1.25 -0.01 0.00 0.00 175.02 177.83 3hka h LEU 301 N 4.21 0.13 -9.54 -0.03 5.85 -1.06 -3.42 115.31 111.45 3hka h LEU 301 Ca -0.47 -0.15 -0.52 0.00 0.84 0.00 0.00 57.88 57.57 3hka h LEU 301 Cb 1.17 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.13 3hka h LEU 301 CO 0.40 1.12 0.35 -0.55 -0.34 0.00 0.00 178.44 179.42 3hka s SER 302 N -6.79 7.45 0.41 1.25 0.15 -1.26 -4.55 113.70 110.36 3hka s SER 302 Ca -0.01 1.74 0.08 0.00 0.70 0.00 0.00 55.95 58.46 3hka s SER 302 Cb 0.09 -2.58 0.86 0.00 -1.71 0.00 0.00 66.02 62.69 3hka s SER 302 CO 0.84 -0.09 2.03 -0.09 1.20 0.00 0.00 173.24 177.13 3hka h ARG 303 N 5.80 0.55 0.00 5.44 2.43 -1.95 -2.04 114.38 124.61 3hka h ARG 303 Ca -0.43 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 3hka h ARG 303 Cb 1.21 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 3hka h ARG 303 CO 0.72 0.37 0.00 0.39 -1.51 0.00 0.00 179.97 179.94 3hka n GLU 304 N -4.47 0.23 -0.01 0.20 4.71 -1.26 -2.76 120.64 117.28 3hka n GLU 304 Ca 0.05 0.11 0.10 0.00 -0.01 0.00 0.00 57.16 57.42 3hka n GLU 304 Cb 0.14 -1.50 -0.14 0.00 -1.01 0.00 0.00 31.44 28.92 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 -1.32 0.49 0.01 1.62 5.03 -0.77 -4.68 115.26 115.65 3hka n ASN 305 Ca 0.08 -0.47 -0.10 0.00 0.87 0.00 0.00 54.58 54.96 3hka n ASN 305 Cb 0.17 1.52 -0.05 0.00 -1.02 0.00 0.00 39.78 40.40 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 0.00 -0.05 -0.01 3.52 1.08 -1.56 -1.64 115.11 116.45 3hka h GLN 306 Ca 0.00 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3hka h GLN 306 Cb 0.76 0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 28.20 3hka h GLN 306 CO 0.00 -0.03 0.00 1.25 -0.95 0.00 0.00 178.83 179.10 3hka h HIS 307 N -0.05 0.01 0.00 2.96 2.76 -1.83 -2.53 115.15 116.47 3hka h HIS 307 Ca 0.05 -0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.17 3hka h HIS 307 Cb 0.12 -0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.07 3hka h HIS 307 CO -0.15 0.14 -0.20 1.05 -1.30 0.00 0.00 177.93 177.47 3hka h GLU 308 N -0.13 0.00 -0.71 5.26 4.11 -1.85 -1.79 114.58 119.48 3hka h GLU 308 Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.37 3hka h GLU 308 Cb 0.14 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 3hka h GLU 308 CO -0.00 0.20 0.20 1.25 0.07 0.00 0.00 179.01 180.73 3hka h LEU 309 N 0.00 1.04 -0.47 3.06 5.85 -1.10 -0.32 115.31 123.37 3hka h LEU 309 Ca -0.00 -0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.48 3hka h LEU 309 Cb 0.37 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 3hka h LEU 309 CO 0.03 0.98 0.19 0.58 -0.34 0.00 0.00 178.44 179.87 3hka h VAL 310 N 1.06 1.21 -0.42 1.05 2.07 -0.92 -1.66 116.25 118.65 3hka h VAL 310 Ca 0.23 -0.66 -0.04 0.00 0.82 0.00 0.00 66.70 67.05 3hka h VAL 310 Cb 0.33 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 3hka h VAL 310 CO -0.00 0.24 0.07 0.58 0.02 0.00 0.00 177.57 178.48 3hka h VAL 311 N 0.63 1.20 -0.36 2.57 2.07 -0.99 -1.90 116.25 119.46 3hka h VAL 311 Ca 0.16 -0.73 -0.09 0.00 0.82 0.00 0.00 66.70 66.85 3hka h VAL 311 Cb 0.20 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 3hka h VAL 311 CO -0.01 0.26 -0.15 0.25 0.02 0.00 0.00 177.57 177.95 3hka h LEU 312 N 0.61 0.65 -1.55 2.57 5.85 -0.58 -1.71 115.31 121.14 3hka h LEU 312 Ca 0.14 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 3hka h LEU 312 Cb 0.28 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 3hka h LEU 312 CO 0.00 0.81 0.00 0.00 -0.34 0.00 0.00 178.44 178.92 3hka h ALA 313 N 1.25 1.64 0.00 1.25 0.00 -0.53 -0.34 119.26 122.53 3hka h ALA 313 Ca 0.10 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3hka h ALA 313 Cb 0.59 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3hka h ALA 313 CO 0.04 0.27 -0.20 0.00 0.00 0.00 0.00 179.25 179.36 3hka h ARG 314 N 0.28 0.00 0.12 0.00 3.08 -0.84 -3.14 114.38 113.89 3hka h ARG 314 Ca 0.07 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 59.82 3hka h ARG 314 Cb 0.19 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 3hka h ARG 314 CO 0.00 0.20 -1.47 0.87 -1.07 0.00 0.00 179.97 178.51 3hka h LYS 315 N 0.00 0.26 -4.35 0.04 1.79 -0.89 -3.46 116.57 109.96 3hka h LYS 315 Ca -0.00 -0.44 -0.56 0.00 -2.18 0.00 0.00 60.65 57.47 3hka h LYS 315 Cb 0.42 0.16 -0.37 0.00 -1.58 0.00 0.00 32.23 30.87 3hka h LYS 315 CO 0.03 1.14 -0.81 -0.06 -1.08 0.00 0.00 179.45 178.67 3hka s PHE 316 N -2.62 1.79 -0.43 -1.35 0.08 -0.86 -4.99 117.98 109.59 3hka s PHE 316 Ca -0.08 -1.02 0.26 0.00 0.12 0.00 0.00 56.93 56.21 3hka s PHE 316 Cb 0.07 -1.38 0.99 0.00 -0.57 0.00 0.00 43.02 42.13 3hka s PHE 316 CO 0.86 -0.60 1.76 0.66 -0.10 0.00 0.00 175.22 177.81 3hka h SER 317 N 8.11 0.00 -0.20 1.36 4.64 -1.89 -2.41 113.55 123.16 3hka h SER 317 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 3hka h SER 317 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 3hka h SER 317 CO 0.44 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 175.94 3hka n ASN 318 N -2.41 1.27 -4.33 4.97 6.94 -1.26 -4.71 115.26 115.74 3hka n ASN 318 Ca 0.03 -2.03 -0.33 0.00 -0.02 0.00 0.00 54.58 52.22 3hka n ASN 318 Cb 0.29 -0.19 -0.15 0.00 -2.36 0.00 0.00 39.78 37.37 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 -0.97 2.66 -0.16 -4.53 2.96 -0.91 -0.79 118.68 116.95 3hka s LEU 319 Ca 0.14 -0.38 0.00 0.00 -0.22 0.00 0.00 54.13 53.68 3hka s LEU 319 Cb 0.08 -1.61 0.03 0.00 0.50 0.00 0.00 46.19 45.19 3hka s LEU 319 CO 0.09 0.12 -0.14 -0.32 -1.32 0.00 0.00 176.35 174.78 3hka s MET 320 N 0.59 2.30 0.10 1.98 -2.45 -0.02 -4.93 119.30 116.87 3hka s MET 320 Ca -0.08 -0.62 -0.08 0.00 -1.25 0.00 0.00 55.69 53.66 3hka s MET 320 Cb -0.16 -2.19 -0.06 0.00 1.25 0.00 0.00 34.83 33.68 3hka s MET 320 CO 0.03 -0.27 0.39 0.96 1.05 0.00 0.00 175.02 177.18 3hka s ILE 321 N 1.46 5.13 0.03 10.11 -4.36 -1.26 -1.53 121.20 130.78 3hka s ILE 321 Ca 0.04 0.30 -0.03 0.00 -0.26 0.00 0.00 60.65 60.69 3hka s ILE 321 Cb -0.13 -3.63 -0.02 0.00 1.25 0.00 0.00 42.46 39.93 3hka s ILE 321 CO -0.10 0.20 0.04 0.72 0.24 0.00 0.00 174.94 176.04 3hka s PHE 322 N -1.49 0.27 0.24 1.37 -0.12 -0.70 -2.20 117.98 115.35 3hka s PHE 322 Ca 0.36 -0.60 0.00 0.00 -0.05 0.00 0.00 56.93 56.64 3hka s PHE 322 Cb -0.13 -0.20 0.00 0.00 -0.63 0.00 0.00 43.02 42.06 3hka s PHE 322 CO 0.20 -0.32 0.00 0.41 -0.05 0.00 0.00 175.22 175.46 3hka n GLY 323 N 0.88 -1.29 2.96 1.99 0.00 -0.15 -4.43 105.19 105.15 3hka n GLY 323 Ca -0.19 -0.55 -0.30 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.64 2.98 0.00 0.00 -0.00 -1.26 -3.05 118.94 116.97 3hka s TRP 325 Ca 0.20 0.93 0.00 0.00 -0.00 0.00 0.00 56.10 57.22 3hka s TRP 325 Cb -0.19 -3.61 0.00 0.00 -0.00 0.00 0.00 33.47 29.67 3hka s TRP 325 CO -0.05 -2.18 0.00 1.87 -0.00 0.00 0.00 176.95 176.59 3hka n TRP 326 N 5.11 0.00 0.46 5.86 -0.00 -1.26 -0.62 117.44 126.99 3hka n TRP 326 Ca 0.12 0.00 0.05 0.00 -0.00 0.00 0.00 57.50 57.67 3hka n TRP 326 Cb 0.44 0.00 0.25 0.00 -0.00 0.00 0.00 31.31 32.00 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 0.84 5.87 3.72 -1.26 -0.41 117.46 126.22 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 -0.31 0.05 0.00 -0.94 0.00 0.00 39.48 38.28 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 -1.31 0.11 -1.40 -1.08 2.81 0.21 -4.57 117.12 111.88 3hka n MET 328 Ca 0.04 -0.00 -0.30 0.00 -1.81 0.00 0.00 57.70 55.63 3hka n MET 328 Cb 0.08 -1.53 -0.07 0.00 -0.71 0.00 0.00 33.22 31.00 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 -1.67 7.31 -4.05 7.83 5.15 0.45 -3.63 115.26 126.65 3hka n ASN 329 Ca 0.04 -2.76 -0.19 0.00 -0.60 0.00 0.00 54.58 51.06 3hka n ASN 329 Cb 0.37 -1.43 -0.15 0.00 -0.53 0.00 0.00 39.78 38.05 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 1.46 1.21 0.27 1.20 0.01 -1.26 -4.98 114.94 112.85 3hka s ASN 330 Ca 0.64 -0.21 -0.11 0.00 -0.71 0.00 0.00 52.86 52.48 3hka s ASN 330 Cb 0.25 -0.13 0.40 0.00 0.41 0.00 0.00 41.25 42.18 3hka s ASN 330 CO -0.08 0.11 1.56 -0.65 -1.51 0.00 0.00 177.10 176.54 3hka h PRO 331 N 5.81 -0.00 -0.63 -0.60 0.11 -1.96 0.12 132.00 134.84 3hka h PRO 331 Ca -0.32 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.87 3hka h PRO 331 Cb 1.18 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.22 3hka h PRO 331 CO 0.49 -0.00 0.29 1.49 -0.21 0.00 0.00 178.00 180.06 3hka h GLU 332 N -0.00 0.51 0.05 1.05 4.57 -1.97 -1.25 114.58 117.54 3hka h GLU 332 Ca 0.44 -0.03 -0.17 0.00 -1.18 0.00 0.00 59.36 58.42 3hka h GLU 332 Cb 0.69 -0.12 0.02 0.00 -0.16 0.00 0.00 28.75 29.18 3hka h GLU 332 CO -1.02 0.34 -0.72 0.82 -1.18 0.00 0.00 179.01 177.26 3hka h ILE 333 N 0.53 1.45 -0.80 2.32 1.08 -1.39 -3.00 117.51 117.69 3hka h ILE 333 Ca 0.30 -2.25 0.11 0.00 -0.39 0.00 0.00 64.86 62.63 3hka h ILE 333 Cb 0.30 2.80 -0.08 0.00 -3.07 0.00 0.00 36.82 36.77 3hka h ILE 333 CO -0.25 0.65 0.43 0.40 -0.69 0.00 0.00 178.15 178.70 3hka h ILE 334 N -0.16 0.85 0.62 -0.67 2.04 -0.69 0.10 117.51 119.60 3hka h ILE 334 Ca -0.10 -0.24 -0.03 0.00 1.00 0.00 0.00 64.86 65.48 3hka h ILE 334 Cb 1.46 0.08 0.01 0.00 -0.74 0.00 0.00 36.82 37.63 3hka h ILE 334 CO 0.14 0.13 -0.30 -1.13 0.00 0.00 0.00 178.15 176.99 3hka h ASN 335 N 0.70 -0.71 -0.76 1.72 -1.24 -1.30 -0.54 115.58 113.45 3hka h ASN 335 Ca 0.40 -0.01 -0.00 0.00 0.71 0.00 0.00 56.30 57.40 3hka h ASN 335 Cb 0.44 0.18 -0.04 0.00 0.73 0.00 0.00 38.32 39.64 3hka h ASN 335 CO -0.28 -0.43 0.47 1.05 -1.29 0.00 0.00 177.43 176.95 3hka h GLU 336 N -0.96 1.03 -0.25 6.67 4.11 -1.33 -1.75 114.58 122.09 3hka h GLU 336 Ca -0.09 -0.09 -0.04 0.00 0.07 0.00 0.00 59.36 59.22 3hka h GLU 336 Cb 0.68 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 3hka h GLU 336 CO 0.14 0.72 0.00 0.52 0.07 0.00 0.00 179.01 180.46 3hka h MET 337 N 1.05 0.45 -0.47 1.06 2.86 -0.74 -1.66 114.93 117.49 3hka h MET 337 Ca 0.28 -0.14 -0.07 0.00 -2.06 0.00 0.00 59.70 57.70 3hka h MET 337 Cb -0.05 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 3hka h MET 337 CO -0.05 0.61 -0.01 1.15 1.06 0.00 0.00 176.91 179.67 3hka h THR 338 N 0.23 1.24 -0.24 2.22 2.02 -0.87 -0.48 112.91 117.02 3hka h THR 338 Ca 0.07 -1.01 -0.09 0.00 0.77 0.00 0.00 66.41 66.16 3hka h THR 338 Cb 0.41 0.90 -0.00 0.00 -1.74 0.00 0.00 68.15 67.71 3hka h THR 338 CO 0.01 0.35 -0.20 0.03 0.37 0.00 0.00 175.52 176.09 3hka h ARG 339 N 0.72 0.56 -0.74 6.66 3.08 -1.27 -1.12 114.38 122.28 3hka h ARG 339 Ca 0.14 -0.28 -0.04 0.00 0.07 0.00 0.00 59.98 59.87 3hka h ARG 339 Cb 0.46 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.48 3hka h ARG 339 CO 0.02 0.86 0.31 0.52 -1.07 0.00 0.00 179.97 180.62 3hka h MET 340 N 0.27 1.09 -0.23 0.04 2.86 -1.12 -1.37 114.93 116.47 3hka h MET 340 Ca 0.04 -0.19 -0.02 0.00 -2.06 0.00 0.00 59.70 57.48 3hka h MET 340 Cb 0.74 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.21 3hka h MET 340 CO 0.05 0.88 0.07 0.00 1.06 0.00 0.00 176.91 178.98 3hka h ARG 341 N 1.05 0.36 -0.29 1.72 3.08 -1.00 -2.57 114.38 116.73 3hka h ARG 341 Ca 0.25 -0.08 -0.14 0.00 0.07 0.00 0.00 59.98 60.08 3hka h ARG 341 Cb 0.19 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 3hka h ARG 341 CO -0.02 0.44 -0.38 1.98 -1.07 0.00 0.00 179.97 180.92 3hka h MET 342 N 0.20 0.69 -0.30 0.04 4.05 -1.11 0.24 114.93 118.73 3hka h MET 342 Ca 0.07 -0.35 -0.05 0.00 -0.28 0.00 0.00 59.70 59.10 3hka h MET 342 Cb 0.24 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.03 3hka h MET 342 CO -0.00 0.96 -0.01 0.93 0.23 0.00 0.00 176.91 179.01 3hka h GLU 343 N 0.57 0.47 0.00 0.39 5.08 -1.21 0.99 114.58 120.87 3hka h GLU 343 Ca 0.05 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3hka h GLU 343 Cb 0.91 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.09 3hka h GLU 343 CO 0.08 0.51 -0.87 -1.33 -1.00 0.00 0.00 179.01 176.40 3hka n MET 344 N -4.29 1.42 0.00 2.33 2.81 -0.97 -4.64 117.12 113.78 3hka n MET 344 Ca 0.01 -0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 3hka n MET 344 Cb 0.24 -1.30 0.00 0.00 -0.71 0.00 0.00 33.22 31.45 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 -1.45 0.30 0.00 4.03 4.77 0.82 -4.89 117.00 120.58 3hka n LEU 345 Ca 0.03 -0.43 0.00 0.00 -0.03 0.00 0.00 56.01 55.57 3hka n LEU 345 Cb 0.27 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 3hka n LEU 345 CO 0.34 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 3hka n GLY 346 N 0.27 3.46 0.66 -0.72 0.00 0.34 -1.94 105.19 107.25 3hka n GLY 346 Ca 0.00 -0.10 0.06 0.00 0.00 0.00 0.00 46.02 45.98 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 1.46 -1.11 2.61 -2.24 -1.26 -4.31 114.28 109.43 3hka n THR 347 Ca 0.00 -1.34 -0.16 0.00 -2.27 0.00 0.00 64.05 60.28 3hka n THR 347 Cb 0.00 0.22 -0.09 0.00 -2.10 0.00 0.00 70.33 68.36 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 0.03 5.81 -3.88 3.42 3.41 -0.82 -4.69 113.62 116.91 3hka n SER 348 Ca 0.14 -2.79 -0.09 0.00 -0.26 0.00 0.00 58.87 55.87 3hka n SER 348 Cb 0.58 -1.29 -0.04 0.00 -0.26 0.00 0.00 64.21 63.20 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 -0.35 0.28 -0.38 7.33 -0.12 -1.26 -4.83 117.98 118.65 3hka s PHE 349 Ca 0.53 -0.67 -0.04 0.00 -0.05 0.00 0.00 56.93 56.71 3hka s PHE 349 Cb 0.30 0.31 0.09 0.00 -0.63 0.00 0.00 43.02 43.09 3hka s PHE 349 CO -0.08 -1.08 0.16 0.42 -0.05 0.00 0.00 175.22 174.59 3hka s ILE 350 N -3.86 3.37 0.50 -4.49 1.01 -0.93 -4.65 121.20 112.14 3hka s ILE 350 Ca 0.20 -1.75 0.23 0.00 0.00 0.00 0.00 60.65 59.34 3hka s ILE 350 Cb -0.02 -3.16 0.29 0.00 0.01 0.00 0.00 42.46 39.57 3hka s ILE 350 CO 0.09 -0.49 2.13 1.55 0.00 0.00 0.00 174.94 178.22 3hka h PRO 351 N 8.09 0.00 -2.78 2.79 0.13 -1.85 -0.37 132.00 138.01 3hka h PRO 351 Ca -0.17 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.99 3hka h PRO 351 Cb 1.06 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.06 3hka h PRO 351 CO 0.66 0.07 0.30 -1.14 -0.23 0.00 0.00 178.00 177.66 3hka s GLN 352 N -4.58 1.16 0.07 0.86 2.00 -1.26 -3.81 119.66 114.09 3hka s GLN 352 Ca -0.04 -0.44 -0.07 0.00 -2.00 0.00 0.00 55.36 52.81 3hka s GLN 352 Cb 0.15 0.52 -0.01 0.00 0.80 0.00 0.00 33.01 34.48 3hka s GLN 352 CO 0.61 -0.51 0.14 -3.38 -0.50 0.00 0.00 175.29 171.65 3hka s HIS 353 N -3.56 0.20 -0.06 1.67 -3.43 -1.26 -4.61 115.29 104.25 3hka s HIS 353 Ca 0.03 -0.60 0.06 0.00 -0.80 0.00 0.00 55.06 53.75 3hka s HIS 353 Cb -0.01 -0.12 -0.24 0.00 -1.43 0.00 0.00 32.58 30.77 3hka s HIS 353 CO -0.11 -0.47 0.61 0.66 -2.00 0.00 0.00 174.74 173.43 3hka h SER 354 N 3.09 0.14 -1.40 7.38 4.64 -1.93 -3.45 113.55 122.02 3hka h SER 354 Ca -0.33 -0.30 -0.37 0.00 -0.47 0.00 0.00 61.79 60.32 3hka h SER 354 Cb 1.19 -0.05 -0.11 0.00 -0.31 0.00 0.00 62.40 63.12 3hka h SER 354 CO 0.55 1.26 -0.38 -0.67 -0.87 0.00 0.00 176.83 176.73 3hka n ASP 355 N -3.20 -5.21 -4.67 4.97 -0.08 -0.21 -4.88 116.55 103.27 3hka n ASP 355 Ca -0.20 0.30 -0.46 0.00 -1.51 0.00 0.00 54.79 52.92 3hka n ASP 355 Cb 1.05 -4.30 -0.04 0.00 2.34 0.00 0.00 41.12 40.17 3hka n ASP 355 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3hka n ALA 356 N 0.33 1.35 -0.04 -1.67 0.00 -1.26 -4.37 120.51 114.86 3hka n ALA 356 Ca -0.19 0.44 -0.00 0.00 0.00 0.00 0.00 53.44 53.69 3hka n ALA 356 Cb 0.62 -2.34 -0.11 0.00 0.00 0.00 0.00 19.45 17.62 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 3.23 1.20 -4.64 0.00 1.74 -1.26 0.48 116.66 117.41 3hka n ARG 357 Ca 0.16 -0.06 -0.33 0.00 -0.77 0.00 0.00 57.85 56.85 3hka n ARG 357 Cb 0.29 -1.33 -0.16 0.00 -1.02 0.00 0.00 32.46 30.24 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 -2.62 2.25 0.19 1.55 1.01 -1.26 -4.35 120.40 117.17 3hka s VAL 358 Ca -0.06 -0.91 -0.14 0.00 0.00 0.00 0.00 61.98 60.87 3hka s VAL 358 Cb 0.06 -1.92 0.20 0.00 0.00 0.00 0.00 36.38 34.72 3hka s VAL 358 CO 0.55 0.54 1.27 -0.11 0.00 0.00 0.00 175.10 177.35 3hka n LEU 359 N 4.05 -0.53 0.27 3.92 7.94 0.60 -0.64 117.00 132.62 3hka n LEU 359 Ca -0.20 1.43 0.17 0.00 -1.11 0.00 0.00 56.01 56.30 3hka n LEU 359 Cb 0.52 -0.33 0.93 0.00 0.53 0.00 0.00 43.42 45.06 3hka n LEU 359 CO 0.28 -1.28 1.14 -0.33 -1.11 0.00 0.00 177.39 176.09 3hka h GLU 360 N 0.00 0.00 -0.37 1.96 3.07 -1.94 -2.78 114.58 114.52 3hka h GLU 360 Ca 0.29 0.00 0.11 0.00 -0.50 0.00 0.00 59.36 59.25 3hka h GLU 360 Cb 0.49 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.39 3hka h GLU 360 CO -0.81 0.00 0.31 1.96 -1.40 0.00 0.00 179.01 179.06 3hka h GLN 361 N 0.00 0.00 -0.97 2.33 4.20 -1.28 -0.61 115.11 118.77 3hka h GLN 361 Ca 0.03 0.00 0.24 0.00 0.06 0.00 0.00 58.65 58.98 3hka h GLN 361 Cb 0.21 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.91 3hka h GLN 361 CO -0.00 0.00 0.64 -0.07 -0.67 0.00 0.00 178.83 178.73 3hka h LEU 362 N 0.00 0.38 0.93 1.46 3.38 -1.67 0.16 115.31 119.96 3hka h LEU 362 Ca 0.18 0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.15 3hka h LEU 362 Cb 0.78 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.53 3hka h LEU 362 CO -0.00 0.12 -0.45 0.40 0.09 0.00 0.00 178.44 178.60 3hka h ILE 363 N 0.36 0.04 -0.22 1.22 2.04 -1.35 -2.63 117.51 116.97 3hka h ILE 363 Ca 0.52 -0.05 -0.21 0.00 1.00 0.00 0.00 64.86 66.12 3hka h ILE 363 Cb 1.38 0.04 0.01 0.00 -0.74 0.00 0.00 36.82 37.51 3hka h ILE 363 CO -0.20 0.00 -0.67 0.10 0.00 0.00 0.00 178.15 177.37 3hka h TYR 364 N -1.30 1.09 -0.20 1.37 -0.00 -1.51 -1.35 116.97 115.08 3hka h TYR 364 Ca -0.13 -0.44 0.06 0.00 0.00 0.00 0.00 58.73 58.22 3hka h TYR 364 Cb 0.96 -0.19 -0.07 0.00 0.00 0.00 0.00 36.73 37.44 3hka h TYR 364 CO -0.00 1.27 -0.24 0.87 -0.00 0.00 0.00 178.16 180.06 3hka h LYS 365 N 0.61 -0.26 -0.04 0.10 1.79 -0.79 0.26 116.57 118.24 3hka h LYS 365 Ca -0.02 0.02 -0.17 0.00 -2.18 0.00 0.00 60.65 58.30 3hka h LYS 365 Cb 1.29 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.99 3hka h LYS 365 CO 0.14 -0.17 -0.72 -1.49 -1.08 0.00 0.00 179.45 176.14 3hka h TRP 366 N -0.27 0.33 -0.26 -1.35 4.06 -1.51 -2.56 115.95 114.39 3hka h TRP 366 Ca 0.12 -0.15 -0.06 0.00 2.06 0.00 0.00 58.89 60.86 3hka h TRP 366 Cb 0.46 -0.05 -0.01 0.00 -1.00 0.00 0.00 29.16 28.56 3hka h TRP 366 CO -0.37 0.88 -0.08 1.25 -3.56 0.00 0.00 178.44 176.55 3hka h HIS 367 N 0.17 0.58 -0.47 0.49 2.76 -0.73 -0.21 115.15 117.74 3hka h HIS 367 Ca -0.02 -0.13 -0.09 0.00 -2.20 0.00 0.00 60.37 57.92 3hka h HIS 367 Cb 1.27 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 30.07 3hka h HIS 367 CO 0.03 0.74 -0.08 0.45 -1.30 0.00 0.00 177.93 177.77 3hka h HIS 368 N 0.25 0.92 0.07 5.26 3.86 -0.52 -3.05 115.15 121.94 3hka h HIS 368 Ca 0.06 -0.16 -0.21 0.00 -1.16 0.00 0.00 60.37 58.90 3hka h HIS 368 Cb 0.57 -0.24 0.02 0.00 1.06 0.00 0.00 27.41 28.82 3hka h HIS 368 CO 0.06 0.88 -0.86 0.77 0.86 0.00 0.00 177.93 179.63 3hka h SER 369 N 0.76 0.63 -0.83 2.45 0.02 -1.43 -3.30 113.55 111.86 3hka h SER 369 Ca 0.13 -0.83 0.08 0.00 -0.84 0.00 0.00 61.79 60.34 3hka h SER 369 Cb 0.57 -0.20 -0.06 0.00 0.14 0.00 0.00 62.40 62.86 3hka h SER 369 CO 0.04 1.39 0.54 0.11 -1.14 0.00 0.00 176.83 177.77 3hka h LYS 370 N -0.04 0.80 -0.53 3.45 1.57 -1.06 -0.06 116.57 120.71 3hka h LYS 370 Ca -0.13 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.51 3hka h LYS 370 Cb 1.59 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 33.70 3hka h LYS 370 CO 0.17 0.53 -0.05 0.66 -0.57 0.00 0.00 179.45 180.19 3hka h SER 371 N 0.83 0.92 -0.10 0.86 4.64 -1.63 0.46 113.55 119.53 3hka h SER 371 Ca 0.37 -0.27 -0.04 0.00 -0.47 0.00 0.00 61.79 61.39 3hka h SER 371 Cb 0.36 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3hka h SER 371 CO -0.14 1.01 -0.09 0.40 -0.87 0.00 0.00 176.83 177.14 3hka h ILE 372 N 0.86 1.35 -0.97 0.95 2.04 -1.41 -2.15 117.51 118.17 3hka h ILE 372 Ca 0.15 -1.21 0.00 0.00 1.00 0.00 0.00 64.86 64.80 3hka h ILE 372 Cb 0.57 1.93 -0.05 0.00 -0.74 0.00 0.00 36.82 38.54 3hka h ILE 372 CO 0.03 0.34 0.62 0.40 0.00 0.00 0.00 178.15 179.55 3hka h ILE 373 N -0.16 1.26 -0.56 -0.67 2.04 -0.94 -1.04 117.51 117.43 3hka h ILE 373 Ca 0.02 -0.51 -0.02 0.00 1.00 0.00 0.00 64.86 65.34 3hka h ILE 373 Cb 0.59 -0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 36.50 3hka h ILE 373 CO 0.02 0.26 0.26 0.00 0.00 0.00 0.00 178.15 178.69 3hka h ALA 374 N 1.34 0.73 -0.77 1.87 0.00 -0.88 -0.03 119.26 121.51 3hka h ALA 374 Ca 0.35 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 3hka h ALA 374 Cb -0.11 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 3hka h ALA 374 CO -0.07 0.30 0.33 1.49 0.00 0.00 0.00 179.25 181.30 3hka h GLU 375 N 0.76 1.13 -0.32 0.00 4.57 -0.67 0.07 114.58 120.12 3hka h GLU 375 Ca 0.19 -0.19 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 3hka h GLU 375 Cb 0.14 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.52 3hka h GLU 375 CO -0.02 0.90 0.07 0.28 -1.18 0.00 0.00 179.01 179.06 3hka h VAL 376 N 1.11 1.23 -0.50 0.32 2.07 -0.76 -2.17 116.25 117.55 3hka h VAL 376 Ca 0.26 -0.77 0.02 0.00 0.82 0.00 0.00 66.70 67.03 3hka h VAL 376 Cb 0.17 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 3hka h VAL 376 CO -0.03 0.26 0.30 -0.07 0.02 0.00 0.00 177.57 178.05 3hka h LEU 377 N 0.36 0.49 -0.59 2.57 3.38 -0.62 -1.41 115.31 119.50 3hka h LEU 377 Ca 0.10 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.13 3hka h LEU 377 Cb 0.32 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 3hka h LEU 377 CO 0.00 0.35 0.30 0.40 0.09 0.00 0.00 178.44 179.59 3hka h ILE 378 N 0.60 0.94 -0.17 1.22 2.04 -0.83 0.18 117.51 121.50 3hka h ILE 378 Ca 0.20 -0.20 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 3hka h ILE 378 Cb 0.01 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 3hka h ILE 378 CO -0.08 0.10 0.10 0.44 0.00 0.00 0.00 178.15 178.71 3hka h ASP 379 N 0.57 0.20 -0.49 1.72 3.32 -0.89 -0.23 116.42 120.63 3hka h ASP 379 Ca 0.27 -0.04 -0.13 0.00 0.02 0.00 0.00 57.03 57.14 3hka h ASP 379 Cb 0.18 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 3hka h ASP 379 CO -0.18 0.18 -0.22 0.11 -1.72 0.00 0.00 179.24 177.41 3hka h LYS 380 N 0.20 1.01 -0.43 3.56 6.56 -0.78 -1.66 116.57 125.03 3hka h LYS 380 Ca 0.06 -0.43 -0.04 0.00 -1.06 0.00 0.00 60.65 59.18 3hka h LYS 380 Cb 0.02 -0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 31.63 3hka h LYS 380 CO -0.01 1.11 0.10 1.88 -2.06 0.00 0.00 179.45 180.47 3hka h TYR 381 N 0.87 0.73 -0.64 -1.35 0.05 -0.59 -2.75 116.97 113.28 3hka h TYR 381 Ca 0.11 -0.09 -0.01 0.00 0.05 0.00 0.00 58.73 58.80 3hka h TYR 381 Cb 0.80 -0.20 -0.03 0.00 1.01 0.00 0.00 36.73 38.31 3hka h TYR 381 CO 0.05 0.68 0.38 0.22 -1.05 0.00 0.00 178.16 178.44 3hka h ASP 382 N 0.56 0.77 -0.49 3.88 3.58 -0.91 -0.60 116.42 123.21 3hka h ASP 382 Ca 0.14 -0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.52 3hka h ASP 382 Cb 0.32 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.15 3hka h ASP 382 CO 0.00 0.60 0.25 0.44 -2.88 0.00 0.00 179.24 177.65 3hka h ASP 383 N 0.89 0.63 1.21 2.28 3.32 -1.01 0.32 116.42 124.06 3hka h ASP 383 Ca 0.23 -0.12 -0.07 0.00 0.02 0.00 0.00 57.03 57.10 3hka h ASP 383 Cb -0.02 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 3hka h ASP 383 CO -0.04 0.57 -0.32 0.16 -1.72 0.00 0.00 179.24 177.89 3hka h ILE 384 N 0.65 0.64 -0.38 0.35 3.07 -1.24 -2.56 117.51 118.05 3hka h ILE 384 Ca 0.17 -1.53 -0.15 0.00 1.55 0.00 0.00 64.86 64.89 3hka h ILE 384 Cb 0.09 2.03 -0.01 0.00 -0.27 0.00 0.00 36.82 38.67 3hka h ILE 384 CO -0.02 0.31 -0.36 -0.07 -1.05 0.00 0.00 178.15 176.95 3hka h LEU 385 N 0.00 0.98 -2.23 0.16 3.38 -0.64 -0.23 115.31 116.74 3hka h LEU 385 Ca -0.00 -0.46 -0.01 0.00 0.09 0.00 0.00 57.88 57.50 3hka h LEU 385 Cb 1.01 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 3hka h LEU 385 CO 0.04 1.24 -0.02 1.56 0.09 0.00 0.00 178.44 181.34 3hka h GLN 386 N 0.73 0.00 -0.31 1.13 1.08 -0.73 0.23 115.11 117.24 3hka h GLN 386 Ca 0.06 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.26 3hka h GLN 386 Cb 0.95 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.38 3hka h GLN 386 CO 0.09 0.02 0.00 0.00 -0.95 0.00 0.00 178.83 178.00 3hka n ALA 387 N -2.13 2.46 -0.38 3.87 0.00 -0.79 -4.90 120.51 118.65 3hka n ALA 387 Ca -0.01 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.81 3hka n ALA 387 Cb 0.19 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.63 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 1.10 0.74 3.80 0.00 0.00 0.07 -5.06 105.19 105.85 3hka n GLY 388 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.79 3.18 -0.28 1.61 -0.11 -0.16 -4.99 118.94 115.40 3hka s TRP 389 Ca 0.00 1.61 -0.03 0.00 1.22 0.00 0.00 56.10 58.90 3hka s TRP 389 Cb 0.00 -2.99 0.03 0.00 -1.50 0.00 0.00 33.47 29.01 3hka s TRP 389 CO 0.00 -0.50 -0.01 -1.21 -4.62 0.00 0.00 176.95 170.62 3hka s GLU 390 N -3.06 2.77 -0.18 5.86 2.02 -1.26 -4.20 118.70 120.64 3hka s GLU 390 Ca 0.63 -1.04 -0.12 0.00 0.02 0.00 0.00 54.97 54.46 3hka s GLU 390 Cb -0.15 -3.14 -0.05 0.00 0.10 0.00 0.00 34.13 30.89 3hka s GLU 390 CO 0.19 -0.48 0.21 0.08 0.02 0.00 0.00 175.26 175.27 3hka s VAL 391 N 1.35 5.36 0.29 2.63 1.01 -1.26 -5.09 120.40 124.68 3hka s VAL 391 Ca -0.01 0.36 -0.01 0.00 0.00 0.00 0.00 61.98 62.32 3hka s VAL 391 Cb -0.18 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 3hka s VAL 391 CO -0.02 0.41 0.51 0.42 0.00 0.00 0.00 175.10 176.42 3hka s THR 392 N 0.46 5.11 0.38 3.92 -4.23 -1.26 -4.09 115.64 115.93 3hka s THR 392 Ca 0.12 -0.28 0.07 0.00 -1.18 0.00 0.00 61.69 60.42 3hka s THR 392 Cb -0.12 -3.79 0.20 0.00 1.34 0.00 0.00 72.50 70.13 3hka s THR 392 CO 0.01 -0.38 1.96 -0.08 -0.54 0.00 0.00 174.62 175.58 3hka h GLU 393 N 1.37 0.43 -0.48 3.99 4.81 -1.99 -1.71 114.58 121.00 3hka h GLU 393 Ca -0.49 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 58.59 3hka h GLU 393 Cb 1.20 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.49 3hka h GLU 393 CO 0.65 0.42 -0.04 0.93 -0.73 0.00 0.00 179.01 180.23 3hka h GLU 394 N 0.42 0.82 -0.36 1.92 4.39 -1.99 -0.53 114.58 119.26 3hka h GLU 394 Ca 0.10 -0.24 -0.12 0.00 0.34 0.00 0.00 59.36 59.43 3hka h GLU 394 Cb 0.20 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 3hka h GLU 394 CO -0.00 0.85 -0.28 0.93 -1.16 0.00 0.00 179.01 179.35 3hka h GLU 395 N 0.75 0.74 0.05 2.33 5.08 -1.74 -1.24 114.58 120.55 3hka h GLU 395 Ca 0.14 -0.32 -0.00 0.00 -1.00 0.00 0.00 59.36 58.18 3hka h GLU 395 Cb 0.52 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.74 3hka h GLU 395 CO 0.03 0.93 -0.02 0.82 -1.00 0.00 0.00 179.01 179.77 3hka h ILE 396 N 0.64 1.05 0.00 3.13 2.04 -0.94 0.48 117.51 123.91 3hka h ILE 396 Ca 0.08 -0.32 -0.02 0.00 1.00 0.00 0.00 64.86 65.60 3hka h ILE 396 Cb 0.79 1.27 -0.00 0.00 -0.74 0.00 0.00 36.82 38.13 3hka h ILE 396 CO 0.07 0.08 -0.09 0.11 0.00 0.00 0.00 178.15 178.31 3hka h LYS 397 N -0.20 0.00 -0.04 2.37 1.57 -1.02 0.46 116.57 119.70 3hka h LYS 397 Ca -0.01 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 3hka h LYS 397 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 3hka h LYS 397 CO 0.01 0.09 -0.09 -0.09 -0.57 0.00 0.00 179.45 178.80 3hka h ARG 398 N 0.00 0.13 -0.56 3.15 2.43 -0.73 -1.63 114.38 117.17 3hka h ARG 398 Ca -0.00 -0.09 -0.02 0.00 -0.81 0.00 0.00 59.98 59.06 3hka h ARG 398 Cb 0.17 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.70 3hka h ARG 398 CO 0.01 0.68 0.26 -0.44 -1.51 0.00 0.00 179.97 178.98 3hka h ASP 399 N -0.40 0.75 -0.74 -3.80 3.32 -0.46 -1.85 116.42 113.23 3hka h ASP 399 Ca -0.00 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 56.89 3hka h ASP 399 Cb 0.68 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 40.00 3hka h ASP 399 CO 0.02 0.68 0.39 0.58 -1.72 0.00 0.00 179.24 179.18 3hka h VAL 400 N 0.77 1.23 -0.73 -1.35 2.07 -0.96 -1.84 116.25 115.44 3hka h VAL 400 Ca 0.19 -0.61 -0.03 0.00 0.82 0.00 0.00 66.70 67.07 3hka h VAL 400 Cb 0.13 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.11 3hka h VAL 400 CO -0.02 0.27 0.34 0.00 0.02 0.00 0.00 177.57 178.17 3hka h ALA 401 N 1.36 0.94 0.00 1.67 0.00 -0.80 -1.55 119.26 120.89 3hka h ALA 401 Ca 0.26 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3hka h ALA 401 Cb 0.07 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.57 3hka h ALA 401 CO -0.04 0.52 -0.00 -0.44 0.00 0.00 0.00 179.25 179.29 3hka h ASP 402 N 1.03 -0.01 -0.46 0.00 3.32 -0.77 0.64 116.42 120.17 3hka h ASP 402 Ca 0.25 -0.07 0.01 0.00 0.02 0.00 0.00 57.03 57.23 3hka h ASP 402 Cb 0.14 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 3hka h ASP 402 CO -0.03 0.07 0.30 -0.07 -1.72 0.00 0.00 179.24 177.79 3hka h LEU 403 N -0.08 0.52 -0.45 1.55 3.38 -1.17 0.55 115.31 119.61 3hka h LEU 403 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3hka h LEU 403 Cb 0.08 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3hka h LEU 403 CO 0.00 0.37 -0.40 0.49 0.09 0.00 0.00 178.44 179.00 3hka n PHE 404 N -4.78 0.00 0.04 1.13 3.72 -0.60 -4.28 117.46 112.69 3hka n PHE 404 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 3hka n PHE 404 Cb 0.03 -0.12 0.00 0.00 -0.94 0.00 0.00 39.48 38.45 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 -0.77 -0.60 -0.23 4.37 2.88 -0.09 -1.67 113.62 117.51 3hka n SER 405 Ca 0.10 0.14 -0.07 0.00 -1.33 0.00 0.00 58.87 57.70 3hka n SER 405 Cb 0.36 0.94 0.04 0.00 -0.75 0.00 0.00 64.21 64.81 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 0.97 -0.91 -1.46 3.08 -0.93 -2.96 114.38 112.17 3hka h ARG 406 Ca 0.00 -0.17 0.07 0.00 0.07 0.00 0.00 59.98 59.95 3hka h ARG 406 Cb 0.00 -0.16 -0.06 0.00 0.08 0.00 0.00 29.97 29.83 3hka h ARG 406 CO 0.00 0.81 0.59 -0.91 -1.07 0.00 0.00 179.97 179.39 3hka h ASN 407 N 0.91 0.89 0.66 7.04 2.35 -1.11 0.12 115.58 126.45 3hka h ASN 407 Ca 0.22 0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.95 3hka h ASN 407 Cb 0.20 -0.18 0.01 0.00 0.05 0.00 0.00 38.32 38.39 3hka h ASN 407 CO -0.02 0.56 -0.31 0.15 -1.65 0.00 0.00 177.43 176.16 3hka h PHE 408 N 1.01 -0.82 -0.28 1.19 3.57 -1.74 -1.40 116.94 118.47 3hka h PHE 408 Ca 0.40 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.88 3hka h PHE 408 Cb 0.24 0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 3hka h PHE 408 CO -0.00 -0.47 0.17 -1.49 -2.23 0.00 0.00 178.31 174.30 3hka h TRP 409 N -1.10 0.36 -0.55 0.41 4.06 -1.38 -0.71 115.95 117.05 3hka h TRP 409 Ca -0.09 0.01 -0.07 0.00 2.06 0.00 0.00 58.89 60.79 3hka h TRP 409 Cb 0.71 -0.12 -0.02 0.00 -1.00 0.00 0.00 29.16 28.73 3hka h TRP 409 CO -0.00 0.24 0.05 -0.09 -3.56 0.00 0.00 178.44 175.08 3hka h ARG 410 N 0.38 0.93 -0.10 0.49 2.43 -0.71 -1.14 114.38 116.66 3hka h ARG 410 Ca 0.10 -0.27 -0.03 0.00 -0.81 0.00 0.00 59.98 58.97 3hka h ARG 410 Cb -0.02 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.42 3hka h ARG 410 CO -0.02 0.91 -0.05 0.35 -1.51 0.00 0.00 179.97 179.65 3hka h PHE 411 N 0.81 0.25 0.00 2.20 3.57 -0.04 -2.91 116.94 120.83 3hka h PHE 411 Ca 0.16 -0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.58 3hka h PHE 411 Cb 0.46 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.14 3hka h PHE 411 CO 0.03 0.57 -0.07 -0.39 -2.23 0.00 0.00 178.31 176.22 3hka h VAL 412 N -0.14 0.24 0.00 1.41 -1.51 -1.19 -3.47 116.25 111.58 3hka h VAL 412 Ca 0.02 -0.58 0.00 0.00 -1.23 0.00 0.00 66.70 64.91 3hka h VAL 412 Cb 0.51 1.46 0.00 0.00 -2.13 0.00 0.00 31.29 31.13 3hka h VAL 412 CO 0.02 0.07 0.00 0.61 -1.23 0.00 0.00 177.57 177.04