#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hk9 s ILE 3 N 0.00 4.11 -0.38 -1.33 1.01 -1.26 -4.96 121.20 118.39 3hk9 s ILE 3 Ca 0.00 -1.98 0.27 0.00 0.00 0.00 0.00 60.65 58.93 3hk9 s ILE 3 Cb 0.00 -3.71 0.32 0.00 0.01 0.00 0.00 42.46 39.08 3hk9 s ILE 3 CO 0.00 -0.79 1.77 -1.13 0.00 0.00 0.00 174.94 174.79 3hk9 h ASN 4 N 8.22 0.00 -5.14 3.58 -0.00 -1.99 -3.47 115.58 116.78 3hk9 h ASN 4 Ca -0.16 0.00 -0.09 0.00 -0.00 0.00 0.00 56.30 56.04 3hk9 h ASN 4 Cb 1.06 0.00 -0.15 0.00 -0.00 0.00 0.00 38.32 39.23 3hk9 h ASN 4 CO 0.82 0.00 -0.39 -0.94 -0.00 0.00 0.00 177.43 176.92 3hk9 s SER 5 N -5.30 0.11 0.32 1.15 1.04 -1.26 -5.04 113.70 104.72 3hk9 s SER 5 Ca 0.06 -0.59 0.02 0.00 0.48 0.00 0.00 55.95 55.92 3hk9 s SER 5 Cb 0.09 0.32 0.53 0.00 0.10 0.00 0.00 66.02 67.05 3hk9 s SER 5 CO 0.57 -0.68 1.87 -0.09 0.98 0.00 0.00 173.24 175.89 3hk9 h ARG 6 N 2.96 0.67 -0.61 4.02 2.43 -1.98 -0.90 114.38 120.96 3hk9 h ARG 6 Ca -0.33 -0.13 -0.02 0.00 -0.81 0.00 0.00 59.98 58.69 3hk9 h ARG 6 Cb 1.19 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.61 3hk9 h ARG 6 CO 0.54 0.63 0.32 0.93 -1.51 0.00 0.00 179.97 180.88 3hk9 h GLU 7 N 0.65 0.86 -0.31 0.20 3.07 -1.99 0.25 114.58 117.30 3hk9 h GLU 7 Ca 0.14 -0.11 -0.14 0.00 -0.50 0.00 0.00 59.36 58.75 3hk9 h GLU 7 Cb 0.28 -0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 28.02 3hk9 h GLU 7 CO 0.00 0.67 -0.36 0.28 -1.40 0.00 0.00 179.01 178.21 3hk9 h VAL 8 N 0.83 1.29 -0.49 3.13 2.07 -1.91 -2.69 116.25 118.48 3hk9 h VAL 8 Ca 0.21 -1.53 0.08 0.00 0.82 0.00 0.00 66.70 66.28 3hk9 h VAL 8 Cb 0.07 1.55 -0.07 0.00 -1.52 0.00 0.00 31.29 31.33 3hk9 h VAL 8 CO -0.03 0.50 0.09 0.25 0.02 0.00 0.00 177.57 178.40 3hk9 h LEU 9 N 0.55 -0.01 -0.30 2.57 5.85 -0.64 -0.88 115.31 122.45 3hk9 h LEU 9 Ca 0.04 0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.89 3hk9 h LEU 9 Cb 0.94 0.12 -0.04 0.00 0.37 0.00 0.00 40.66 42.06 3hk9 h LEU 9 CO 0.09 0.02 0.07 0.00 -0.34 0.00 0.00 178.44 178.28 3hk9 h ALA 10 N 1.39 0.32 -0.60 1.25 0.00 -0.39 0.12 119.26 121.35 3hk9 h ALA 10 Ca 0.25 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3hk9 h ALA 10 Cb 0.33 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3hk9 h ALA 10 CO -0.33 -0.34 0.38 1.49 0.00 0.00 0.00 179.25 180.46 3hk9 h GLU 11 N 0.19 0.79 0.01 0.00 4.81 -1.07 0.11 114.58 119.42 3hk9 h GLU 11 Ca 0.14 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3hk9 h GLU 11 Cb 0.14 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.34 3hk9 h GLU 11 CO -0.17 0.54 -0.01 0.87 -0.73 0.00 0.00 179.01 179.51 3hk9 h LYS 12 N 0.81 -0.02 -0.08 1.92 1.79 -0.66 -1.01 116.57 119.32 3hk9 h LYS 12 Ca 0.22 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.69 3hk9 h LYS 12 Cb -0.07 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.58 3hk9 h LYS 12 CO -0.04 0.07 0.05 0.28 -1.08 0.00 0.00 179.45 178.73 3hk9 h VAL 13 N -0.11 1.05 -0.98 0.50 2.07 -0.57 -1.23 116.25 116.99 3hk9 h VAL 13 Ca -0.00 -0.14 0.03 0.00 0.82 0.00 0.00 66.70 67.40 3hk9 h VAL 13 Cb 0.10 1.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.82 3hk9 h VAL 13 CO 0.00 0.05 0.64 0.11 0.02 0.00 0.00 177.57 178.39 3hk9 h LYS 14 N 0.07 1.24 -0.48 1.57 1.57 -0.72 -0.25 116.57 119.58 3hk9 h LYS 14 Ca 0.03 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.66 3hk9 h LYS 14 Cb 0.03 -0.28 -0.02 0.00 0.08 0.00 0.00 32.23 32.05 3hk9 h LYS 14 CO -0.01 0.82 0.01 -0.91 -0.57 0.00 0.00 179.45 178.79 3hk9 h ASN 15 N 1.28 0.82 0.05 0.86 2.35 -0.91 -0.95 115.58 119.07 3hk9 h ASN 15 Ca 0.38 -0.30 -0.00 0.00 -0.55 0.00 0.00 56.30 55.82 3hk9 h ASN 15 Cb -0.06 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.09 3hk9 h ASN 15 CO -0.11 0.92 -0.02 0.00 -1.65 0.00 0.00 177.43 176.57 3hk9 h ALA 16 N 0.92 -0.07 -0.30 -0.83 0.00 -0.69 -0.37 119.26 117.92 3hk9 h ALA 16 Ca 0.14 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.01 3hk9 h ALA 16 Cb 0.50 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 3hk9 h ALA 16 CO 0.02 -0.49 0.14 0.28 0.00 0.00 0.00 179.25 179.20 3hk9 h VAL 17 N -0.17 0.97 -0.54 0.00 2.07 -1.02 -1.49 116.25 116.07 3hk9 h VAL 17 Ca -0.01 -0.10 -0.07 0.00 0.82 0.00 0.00 66.70 67.34 3hk9 h VAL 17 Cb 0.15 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 3hk9 h VAL 17 CO 0.01 0.05 0.05 0.78 0.02 0.00 0.00 177.57 178.48 3hk9 h ASN 18 N 0.29 0.85 1.72 0.57 -0.26 -1.05 -3.05 115.58 114.65 3hk9 h ASN 18 Ca 0.13 -0.20 0.00 0.00 -0.56 0.00 0.00 56.30 55.67 3hk9 h ASN 18 Cb 0.06 -0.22 0.00 0.00 -1.06 0.00 0.00 38.32 37.09 3hk9 h ASN 18 CO -0.10 0.88 0.00 0.78 -1.06 0.00 0.00 177.43 177.93 3hk9 h ASN 19 N 0.83 0.00 -2.80 5.81 2.35 -0.87 -3.46 115.58 117.44 3hk9 h ASN 19 Ca 0.17 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 55.36 3hk9 h ASN 19 Cb 0.42 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.77 3hk9 h ASN 19 CO 0.01 0.00 0.99 -1.58 -1.65 0.00 0.00 177.43 175.20 3hk9 s GLN 20 N -3.19 4.18 0.26 0.81 2.00 -0.58 -4.98 119.66 118.16 3hk9 s GLN 20 Ca 0.08 1.84 -0.30 0.00 -2.00 0.00 0.00 55.36 54.98 3hk9 s GLN 20 Cb 0.08 -3.87 -0.11 0.00 0.80 0.00 0.00 33.01 29.92 3hk9 s GLN 20 CO 0.63 -0.81 1.50 -2.14 -0.50 0.00 0.00 175.29 173.98 3hk9 s PRO 21 N 3.79 4.21 -0.09 1.67 0.02 -1.26 -4.95 135.00 138.38 3hk9 s PRO 21 Ca 0.63 2.41 -0.09 0.00 0.02 0.00 0.00 61.00 63.96 3hk9 s PRO 21 Cb -0.26 -3.08 -0.04 0.00 0.02 0.00 0.00 34.50 31.14 3hk9 s PRO 21 CO 0.21 -0.51 0.21 0.08 -0.33 0.00 0.00 177.00 176.67 3hk9 s VAL 22 N 0.05 5.37 -0.32 3.83 1.01 -0.33 -4.63 120.40 125.38 3hk9 s VAL 22 Ca 0.61 0.38 -0.07 0.00 0.00 0.00 0.00 61.98 62.90 3hk9 s VAL 22 Cb -0.44 -3.49 0.02 0.00 0.00 0.00 0.00 36.38 32.47 3hk9 s VAL 22 CO 0.44 0.60 0.11 -0.89 0.00 0.00 0.00 175.10 175.36 3hk9 s THR 23 N -0.95 4.03 -0.71 3.92 2.01 -0.67 -0.67 115.64 122.60 3hk9 s THR 23 Ca 0.17 -0.87 -0.20 0.00 0.31 0.00 0.00 61.69 61.10 3hk9 s THR 23 Cb -0.13 -3.18 0.10 0.00 0.01 0.00 0.00 72.50 69.30 3hk9 s THR 23 CO 0.06 -0.07 0.94 -0.62 -0.69 0.00 0.00 174.62 174.24 3hk9 s ASP 24 N 1.48 6.30 0.00 3.53 -1.08 0.64 -4.73 116.67 122.81 3hk9 s ASP 24 Ca 0.01 -1.40 0.09 0.00 -0.52 0.00 0.00 52.55 50.72 3hk9 s ASP 24 Cb -0.18 -2.38 0.51 0.00 -1.46 0.00 0.00 42.92 39.40 3hk9 s ASP 24 CO 0.03 -1.25 1.11 1.15 0.52 0.00 0.00 175.17 176.73 3hk9 n MET 25 N 6.99 0.73 -3.26 4.34 0.00 -1.26 -0.70 117.12 123.96 3hk9 n MET 25 Ca 0.02 0.00 0.03 0.00 0.00 0.00 0.00 57.70 57.75 3hk9 n MET 25 Cb 0.46 -1.18 -0.02 0.00 0.00 0.00 0.00 33.22 32.48 3hk9 n MET 25 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 175.97 174.39 3hk9 s HIS 26 N -2.00 -1.41 0.26 3.17 5.65 -1.26 -4.76 115.29 114.93 3hk9 s HIS 26 Ca 0.13 1.71 -0.06 0.00 0.25 0.00 0.00 55.06 57.08 3hk9 s HIS 26 Cb 0.06 0.57 -0.02 0.00 -1.18 0.00 0.00 32.58 32.02 3hk9 s HIS 26 CO 0.10 -0.76 0.36 0.95 -0.65 0.00 0.00 174.74 174.74 3hk9 s THR 27 N 2.86 0.00 -0.29 0.89 -4.23 -0.36 -1.03 115.64 113.47 3hk9 s THR 27 Ca 0.12 -1.66 0.08 0.00 -1.18 0.00 0.00 61.69 59.05 3hk9 s THR 27 Cb -0.14 -2.40 0.46 0.00 1.34 0.00 0.00 72.50 71.76 3hk9 s THR 27 CO -0.19 0.00 1.31 1.41 -0.54 0.00 0.00 174.62 176.60 3hk9 n HIS 28 N -0.39 1.72 -3.34 3.99 8.25 0.23 -2.71 115.22 122.96 3hk9 n HIS 28 Ca 0.00 -1.97 -0.19 0.00 -0.26 0.00 0.00 57.72 55.31 3hk9 n HIS 28 Cb 0.63 -0.42 -0.00 0.00 1.12 0.00 0.00 29.99 31.32 3hk9 n HIS 28 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3hk9 s LEU 29 N -3.46 3.76 0.03 2.41 1.43 -1.18 -4.61 118.68 117.07 3hk9 s LEU 29 Ca 0.47 -0.36 -0.01 0.00 -1.03 0.00 0.00 54.13 53.21 3hk9 s LEU 29 Cb 0.41 -2.60 -0.02 0.00 0.03 0.00 0.00 46.19 44.00 3hk9 s LEU 29 CO -0.00 -0.57 -0.01 -0.36 0.23 0.00 0.00 176.35 175.64 3hk9 s PHE 30 N -2.28 0.29 0.25 0.29 0.08 -1.26 -4.39 117.98 110.96 3hk9 s PHE 30 Ca 0.49 -0.60 -0.31 0.00 0.12 0.00 0.00 56.93 56.62 3hk9 s PHE 30 Cb -0.09 -0.21 -0.13 0.00 -0.57 0.00 0.00 43.02 42.02 3hk9 s PHE 30 CO 0.31 -0.24 1.50 0.45 -0.10 0.00 0.00 175.22 177.13 3hk9 n SER 31 N 1.26 3.19 0.03 1.36 2.88 -1.26 -4.80 113.62 116.28 3hk9 n SER 31 Ca -0.22 1.14 0.22 0.00 -1.33 0.00 0.00 58.87 58.68 3hk9 n SER 31 Cb 0.56 -1.49 0.69 0.00 -0.75 0.00 0.00 64.21 63.22 3hk9 n SER 31 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3hk9 h PRO 32 N 4.65 0.00 0.00 -1.46 0.13 -1.93 -1.20 132.00 132.19 3hk9 h PRO 32 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3hk9 h PRO 32 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 3hk9 h PRO 32 CO 0.79 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.83 3hk9 n ASN 33 N -3.61 0.23 0.00 1.44 6.94 -1.26 -1.93 115.26 117.07 3hk9 n ASN 33 Ca 0.11 0.56 0.14 0.00 -0.02 0.00 0.00 54.58 55.37 3hk9 n ASN 33 Cb 0.81 -0.60 0.70 0.00 -2.36 0.00 0.00 39.78 38.33 3hk9 n ASN 33 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 3hk9 n PHE 34 N -1.75 0.00 -1.97 -2.53 3.01 -0.45 -5.01 117.46 108.75 3hk9 n PHE 34 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.49 3hk9 n PHE 34 Cb 0.19 -0.35 0.00 0.00 -0.01 0.00 0.00 39.48 39.31 3hk9 n PHE 34 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3hk9 n GLY 35 N 1.29 -0.05 0.35 1.37 0.00 -0.81 -4.37 105.19 102.96 3hk9 n GLY 35 Ca 0.12 -1.44 0.16 0.00 0.00 0.00 0.00 46.02 44.85 3hk9 n GLY 35 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hk9 h GLU 36 N 0.00 0.00 0.00 1.61 4.39 -1.95 -1.86 114.58 116.77 3hk9 h GLU 36 Ca 0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 3hk9 h GLU 36 Cb 0.00 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3hk9 h GLU 36 CO 0.00 0.00 -0.01 0.97 -1.16 0.00 0.00 179.01 178.81 3hk9 h ILE 37 N 0.00 0.50 -3.58 3.13 6.09 -1.97 -3.37 117.51 118.32 3hk9 h ILE 37 Ca 0.05 -0.06 -0.59 0.00 -1.37 0.00 0.00 64.86 62.88 3hk9 h ILE 37 Cb 0.83 1.04 -0.10 0.00 0.47 0.00 0.00 36.82 39.07 3hk9 h ILE 37 CO -0.00 0.01 0.62 -0.22 -3.07 0.00 0.00 178.15 175.50 3hk9 s LEU 38 N -7.55 3.97 0.07 2.19 2.96 -0.70 -4.80 118.68 114.82 3hk9 s LEU 38 Ca -0.05 0.38 -0.19 0.00 -0.22 0.00 0.00 54.13 54.06 3hk9 s LEU 38 Cb 0.15 -3.26 -0.07 0.00 0.50 0.00 0.00 46.19 43.51 3hk9 s LEU 38 CO 0.54 -0.97 0.55 -0.76 -1.32 0.00 0.00 176.35 174.40 3hk9 s LEU 39 N 3.67 4.52 0.17 -0.68 1.43 -1.26 -5.00 118.68 121.53 3hk9 s LEU 39 Ca 0.39 1.23 -0.23 0.00 -1.03 0.00 0.00 54.13 54.48 3hk9 s LEU 39 Cb -0.11 -2.88 0.06 0.00 0.03 0.00 0.00 46.19 43.29 3hk9 s LEU 39 CO 0.23 0.27 0.65 -1.66 0.23 0.00 0.00 176.35 176.07 3hk9 s TRP 40 N -1.12 -0.46 0.00 0.29 1.48 -1.26 -0.54 118.94 117.32 3hk9 s TRP 40 Ca 0.29 0.22 0.00 0.00 -1.06 0.00 0.00 56.10 55.54 3hk9 s TRP 40 Cb -0.19 0.58 0.00 0.00 -1.16 0.00 0.00 33.47 32.70 3hk9 s TRP 40 CO 0.18 -0.89 0.00 -0.40 -4.06 0.00 0.00 176.95 171.78 3hk9 n ASP 41 N -0.39 0.00 -0.22 -2.66 5.68 -1.26 -4.53 116.55 113.18 3hk9 n ASP 41 Ca -0.14 0.00 0.04 0.00 -0.50 0.00 0.00 54.79 54.19 3hk9 n ASP 41 Cb 0.64 0.00 0.30 0.00 -1.14 0.00 0.00 41.12 40.91 3hk9 n ASP 41 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 3hk9 h ILE 42 N 0.00 1.08 -0.15 2.12 6.09 -1.96 -1.46 117.51 123.23 3hk9 h ILE 42 Ca 0.00 -0.31 -0.10 0.00 -1.37 0.00 0.00 64.86 63.09 3hk9 h ILE 42 Cb 0.00 0.11 -0.01 0.00 0.47 0.00 0.00 36.82 37.39 3hk9 h ILE 42 CO 0.00 0.16 -0.33 0.44 -3.07 0.00 0.00 178.15 175.35 3hk9 h ASP 43 N 0.89 0.30 -0.05 2.19 3.32 -1.95 -1.23 116.42 119.90 3hk9 h ASP 43 Ca 0.32 -0.11 -0.19 0.00 0.02 0.00 0.00 57.03 57.06 3hk9 h ASP 43 Cb 0.13 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.60 3hk9 h ASP 43 CO -0.10 0.63 -0.66 -0.33 -1.72 0.00 0.00 179.24 177.05 3hk9 h GLU 44 N 0.26 0.67 -0.38 3.56 4.39 -1.63 -2.41 114.58 119.03 3hk9 h GLU 44 Ca 0.03 -0.49 -0.02 0.00 0.34 0.00 0.00 59.36 59.23 3hk9 h GLU 44 Cb 0.72 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.44 3hk9 h GLU 44 CO 0.05 1.11 0.18 -0.07 -1.16 0.00 0.00 179.01 179.12 3hk9 h LEU 45 N 0.49 0.51 -1.39 1.33 3.38 -0.97 -2.13 115.31 116.54 3hk9 h LEU 45 Ca -0.02 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 3hk9 h LEU 45 Cb 1.26 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 3hk9 h LEU 45 CO 0.13 0.50 -0.01 -0.07 0.09 0.00 0.00 178.44 179.08 3hk9 h LEU 46 N 0.48 0.00 -2.55 1.67 3.38 -1.23 -2.95 115.31 114.11 3hk9 h LEU 46 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3hk9 h LEU 46 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3hk9 h LEU 46 CO -0.02 0.01 0.00 0.35 0.09 0.00 0.00 178.44 178.87 3hk9 n THR 47 N -3.11 0.76 -1.61 0.22 -2.24 -0.91 -4.74 114.28 102.66 3hk9 n THR 47 Ca 0.01 -0.88 -0.45 0.00 -2.27 0.00 0.00 64.05 60.46 3hk9 n THR 47 Cb 0.32 0.72 -0.02 0.00 -2.10 0.00 0.00 70.33 69.26 3hk9 n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hk9 n TYR 48 N 1.41 1.44 0.32 4.78 9.36 -0.84 -4.73 117.16 128.91 3hk9 n TYR 48 Ca 0.20 0.67 0.20 0.00 3.32 0.00 0.00 57.90 62.30 3hk9 n TYR 48 Cb 0.58 -2.28 1.12 0.00 -0.63 0.00 0.00 39.34 38.12 3hk9 n TYR 48 CO 0.00 0.00 0.00 1.12 0.22 0.00 0.00 176.86 178.20 3hk9 h HIS 49 N 2.29 0.00 -0.58 2.98 2.07 -1.92 -0.66 115.15 119.33 3hk9 h HIS 49 Ca -0.41 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.11 3hk9 h HIS 49 Cb 1.33 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 31.28 3hk9 h HIS 49 CO 0.49 0.00 0.35 1.88 -3.07 0.00 0.00 177.93 177.58 3hk9 h TYR 50 N 0.00 0.76 0.00 6.12 -1.99 -1.94 -1.37 116.97 118.55 3hk9 h TYR 50 Ca 0.00 -0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.67 3hk9 h TYR 50 Cb 0.05 -0.25 -0.01 0.00 2.00 0.00 0.00 36.73 38.53 3hk9 h TYR 50 CO 0.00 0.52 -0.28 -0.07 -0.00 0.00 0.00 178.16 178.33 3hk9 h LEU 51 N 0.78 0.00 -0.11 3.88 4.07 -1.43 -2.47 115.31 120.02 3hk9 h LEU 51 Ca 0.21 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.15 3hk9 h LEU 51 Cb -0.02 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.72 3hk9 h LEU 51 CO -0.04 0.28 -0.01 0.58 -1.08 0.00 0.00 178.44 178.17 3hk9 h VAL 52 N 0.00 1.26 -0.26 1.22 2.07 -1.11 0.19 116.25 119.62 3hk9 h VAL 52 Ca -0.00 -0.86 0.02 0.00 0.82 0.00 0.00 66.70 66.68 3hk9 h VAL 52 Cb 0.89 1.61 -0.03 0.00 -1.52 0.00 0.00 31.29 32.25 3hk9 h VAL 52 CO 0.04 0.25 0.10 0.00 0.02 0.00 0.00 177.57 177.98 3hk9 h ALA 53 N 0.73 0.30 -0.73 1.67 0.00 -1.15 -2.41 119.26 117.68 3hk9 h ALA 53 Ca 0.03 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3hk9 h ALA 53 Cb 0.38 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 3hk9 h ALA 53 CO 0.01 -0.30 0.29 0.93 0.00 0.00 0.00 179.25 180.17 3hk9 h GLU 54 N 0.23 1.09 -0.17 0.00 5.08 -1.27 -2.95 114.58 116.58 3hk9 h GLU 54 Ca 0.11 -0.20 -0.09 0.00 -1.00 0.00 0.00 59.36 58.18 3hk9 h GLU 54 Cb 0.07 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 3hk9 h GLU 54 CO -0.10 0.90 -0.29 -0.24 -1.00 0.00 0.00 179.01 178.27 3hk9 h VAL 55 N 1.04 1.27 0.00 3.13 3.04 -0.45 -2.48 116.25 121.80 3hk9 h VAL 55 Ca 0.24 -1.28 0.00 0.00 -1.01 0.00 0.00 66.70 64.65 3hk9 h VAL 55 Cb 0.22 1.46 0.00 0.00 -2.01 0.00 0.00 31.29 30.96 3hk9 h VAL 55 CO -0.02 0.39 0.00 0.24 -1.01 0.00 0.00 177.57 177.17 3hk9 h MET 56 N 0.30 0.00 0.00 4.17 2.86 -1.25 -0.35 114.93 120.66 3hk9 h MET 56 Ca 0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 3hk9 h MET 56 Cb 0.67 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.33 3hk9 h MET 56 CO 0.05 0.00 0.00 0.00 1.06 0.00 0.00 176.91 178.02 3hk9 h ARG 57 N 0.00 0.00 0.00 1.72 3.08 -1.46 -3.38 114.38 114.34 3hk9 h ARG 57 Ca 0.00 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.89 3hk9 h ARG 57 Cb 0.23 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 3hk9 h ARG 57 CO 0.00 0.00 -1.56 0.91 -1.07 0.00 0.00 179.97 178.25 3hk9 n TRP 58 N -2.64 0.00 -2.32 3.04 7.02 -0.49 -5.06 117.44 117.00 3hk9 n TRP 58 Ca 0.04 0.00 -0.40 0.00 -1.02 0.00 0.00 57.50 56.13 3hk9 n TRP 58 Cb 0.43 -0.37 -0.03 0.00 -2.42 0.00 0.00 31.31 28.92 3hk9 n TRP 58 CO 0.00 0.00 0.00 -0.08 -2.02 0.00 0.00 177.69 175.59 3hk9 s THR 59 N -2.19 3.17 -2.31 -0.99 -1.32 -0.26 -4.93 115.64 106.80 3hk9 s THR 59 Ca -0.14 1.10 0.25 0.00 -1.21 0.00 0.00 61.69 61.70 3hk9 s THR 59 Cb 0.04 -3.67 0.57 0.00 -1.51 0.00 0.00 72.50 67.94 3hk9 s THR 59 CO 0.20 0.20 1.75 -0.90 -2.21 0.00 0.00 174.62 173.66 3hk9 n ASP 60 N 0.66 1.21 -4.73 8.08 3.85 -1.26 -4.82 116.55 119.53 3hk9 n ASP 60 Ca 0.01 -1.49 -0.41 0.00 -0.71 0.00 0.00 54.79 52.19 3hk9 n ASP 60 Cb 0.45 -0.03 -0.04 0.00 -1.35 0.00 0.00 41.12 40.15 3hk9 n ASP 60 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 3hk9 s VAL 61 N -1.93 4.12 0.61 2.12 1.01 -1.26 -5.01 120.40 120.06 3hk9 s VAL 61 Ca 0.37 1.69 -0.15 0.00 0.00 0.00 0.00 61.98 63.89 3hk9 s VAL 61 Cb 0.19 -4.08 -0.03 0.00 0.00 0.00 0.00 36.38 32.46 3hk9 s VAL 61 CO 0.31 0.23 1.07 -0.94 0.00 0.00 0.00 175.10 175.77 3hk9 s SER 62 N 0.32 5.59 0.35 3.32 1.04 -1.26 -4.85 113.70 118.21 3hk9 s SER 62 Ca 0.52 1.86 0.02 0.00 0.48 0.00 0.00 55.95 58.83 3hk9 s SER 62 Cb -0.28 -2.54 0.63 0.00 0.10 0.00 0.00 66.02 63.94 3hk9 s SER 62 CO 0.32 -1.30 2.00 -0.29 0.98 0.00 0.00 173.24 174.95 3hk9 h ILE 63 N 0.29 1.14 -0.40 -1.02 6.09 -1.96 0.16 117.51 121.81 3hk9 h ILE 63 Ca -0.47 -0.30 -0.14 0.00 -1.37 0.00 0.00 64.86 62.58 3hk9 h ILE 63 Cb 1.23 0.20 -0.01 0.00 0.47 0.00 0.00 36.82 38.71 3hk9 h ILE 63 CO 0.56 0.16 -0.30 -0.33 -3.07 0.00 0.00 178.15 175.17 3hk9 h GLU 64 N 0.87 0.91 -0.69 2.19 3.07 -1.92 -1.98 114.58 117.03 3hk9 h GLU 64 Ca 0.25 -0.45 -0.08 0.00 -0.50 0.00 0.00 59.36 58.59 3hk9 h GLU 64 Cb -0.04 -0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 27.84 3hk9 h GLU 64 CO -0.06 1.10 0.13 0.00 -1.40 0.00 0.00 179.01 178.78 3hk9 h ALA 65 N 0.79 0.91 -0.00 3.43 0.00 -1.71 -1.92 119.26 120.76 3hk9 h ALA 65 Ca 0.07 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.74 3hk9 h ALA 65 Cb 0.89 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 3hk9 h ALA 65 CO 0.08 0.67 -0.17 0.35 0.00 0.00 0.00 179.25 180.18 3hk9 h PHE 66 N 1.06 -0.45 -0.00 0.00 3.57 -0.48 -1.85 116.94 118.79 3hk9 h PHE 66 Ca 0.21 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.69 3hk9 h PHE 66 Cb 0.42 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 3hk9 h PHE 66 CO 0.03 -0.25 -0.18 -1.49 -2.23 0.00 0.00 178.31 174.20 3hk9 h TRP 67 N -0.28 0.00 0.00 0.41 -0.00 -1.19 -1.59 115.95 113.30 3hk9 h TRP 67 Ca 0.06 -0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.95 3hk9 h TRP 67 Cb 0.35 -0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.51 3hk9 h TRP 67 CO -0.23 0.18 0.00 0.00 -0.00 0.00 0.00 178.44 178.39 3hk9 h ALA 68 N 1.82 1.00 -2.34 1.49 0.00 -0.58 -3.45 119.26 117.20 3hk9 h ALA 68 Ca -0.00 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.40 3hk9 h ALA 68 Cb 0.31 0.00 0.10 0.00 0.00 0.00 0.00 17.79 18.20 3hk9 h ALA 68 CO 0.02 0.00 0.37 -1.64 0.00 0.00 0.00 179.25 178.00 3hk9 s MET 69 N -3.32 2.86 0.79 0.00 -1.94 -0.60 -5.05 119.30 112.05 3hk9 s MET 69 Ca 0.05 0.93 -0.12 0.00 -1.71 0.00 0.00 55.69 54.85 3hk9 s MET 69 Cb 0.10 -1.98 0.07 0.00 2.01 0.00 0.00 34.83 35.02 3hk9 s MET 69 CO 0.50 -1.15 1.12 -1.54 -0.01 0.00 0.00 175.02 173.94 3hk9 s SER 70 N -3.80 4.60 0.28 3.03 1.04 -1.26 -4.81 113.70 112.77 3hk9 s SER 70 Ca 0.58 1.11 -0.01 0.00 0.48 0.00 0.00 55.95 58.11 3hk9 s SER 70 Cb -0.14 -1.80 0.46 0.00 0.10 0.00 0.00 66.02 64.64 3hk9 s SER 70 CO 0.55 -1.88 1.88 0.50 0.98 0.00 0.00 173.24 175.27 3hk9 h LYS 71 N -1.03 1.09 -0.31 4.02 1.63 -1.96 -0.63 116.57 119.38 3hk9 h LYS 71 Ca -0.47 -0.07 -0.15 0.00 -0.85 0.00 0.00 60.65 59.12 3hk9 h LYS 71 Cb 1.29 -0.25 -0.01 0.00 -0.60 0.00 0.00 32.23 32.66 3hk9 h LYS 71 CO 0.62 0.72 -0.41 -0.09 -3.45 0.00 0.00 179.45 176.84 3hk9 h ARG 72 N 1.12 0.76 -0.27 1.90 2.43 -1.94 -1.49 114.38 116.89 3hk9 h ARG 72 Ca 0.43 -0.40 -0.13 0.00 -0.81 0.00 0.00 59.98 59.07 3hk9 h ARG 72 Cb 0.22 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 3hk9 h ARG 72 CO -0.18 1.02 -0.37 0.93 -1.51 0.00 0.00 179.97 179.87 3hk9 h GLU 73 N 0.62 0.60 -0.27 0.20 5.08 -1.77 -0.05 114.58 118.98 3hk9 h GLU 73 Ca 0.05 -0.29 -0.03 0.00 -1.00 0.00 0.00 59.36 58.09 3hk9 h GLU 73 Cb 0.96 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 3hk9 h GLU 73 CO 0.09 0.88 0.06 1.96 -1.00 0.00 0.00 179.01 181.00 3hk9 h GLN 74 N 0.50 0.44 -0.59 2.33 4.20 -1.02 -1.05 115.11 119.92 3hk9 h GLN 74 Ca 0.05 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.65 3hk9 h GLN 74 Cb 0.87 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.56 3hk9 h GLN 74 CO 0.07 0.54 0.38 0.00 -0.67 0.00 0.00 178.83 179.15 3hk9 h ALA 75 N 0.88 0.75 -0.73 3.87 0.00 -1.08 -1.26 119.26 121.70 3hk9 h ALA 75 Ca 0.08 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3hk9 h ALA 75 Cb 0.30 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3hk9 h ALA 75 CO 0.00 0.20 0.40 -0.44 0.00 0.00 0.00 179.25 179.41 3hk9 h ASP 76 N 0.80 0.91 -0.24 0.00 3.32 -0.79 -0.61 116.42 119.81 3hk9 h ASP 76 Ca 0.21 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 3hk9 h ASP 76 Cb -0.07 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.24 3hk9 h ASP 76 CO -0.04 0.75 0.08 0.25 -1.72 0.00 0.00 179.24 178.56 3hk9 h LEU 77 N 1.00 0.34 -0.42 1.55 5.85 -0.79 -1.62 115.31 121.22 3hk9 h LEU 77 Ca 0.26 -0.19 -0.05 0.00 0.84 0.00 0.00 57.88 58.74 3hk9 h LEU 77 Cb 0.04 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 3hk9 h LEU 77 CO -0.04 0.44 0.08 0.40 -0.34 0.00 0.00 178.44 178.97 3hk9 h ILE 78 N 0.23 1.24 -0.03 4.05 2.04 -1.05 0.88 117.51 124.87 3hk9 h ILE 78 Ca 0.08 -0.87 0.03 0.00 1.00 0.00 0.00 64.86 65.10 3hk9 h ILE 78 Cb 0.21 0.99 -0.04 0.00 -0.74 0.00 0.00 36.82 37.24 3hk9 h ILE 78 CO -0.00 0.30 -0.16 -0.25 0.00 0.00 0.00 178.15 178.03 3hk9 h TRP 79 N 0.56 -0.43 0.11 1.37 2.91 -1.05 0.19 115.95 119.61 3hk9 h TRP 79 Ca 0.13 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.16 3hk9 h TRP 79 Cb 0.36 0.19 0.00 0.00 -0.51 0.00 0.00 29.16 29.21 3hk9 h TRP 79 CO 0.02 -0.24 -0.05 1.49 -1.03 0.00 0.00 178.44 178.63 3hk9 h GLU 80 N -0.26 -0.14 -0.38 2.65 4.57 -1.12 0.78 114.58 120.69 3hk9 h GLU 80 Ca 0.06 0.01 -0.16 0.00 -1.18 0.00 0.00 59.36 58.09 3hk9 h GLU 80 Cb 0.34 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 3hk9 h GLU 80 CO -0.18 -0.06 -0.40 0.93 -1.18 0.00 0.00 179.01 178.12 3hk9 h GLU 81 N -0.18 0.93 0.00 1.92 4.39 -0.66 0.45 114.58 121.44 3hk9 h GLU 81 Ca -0.01 -0.50 0.00 0.00 0.34 0.00 0.00 59.36 59.19 3hk9 h GLU 81 Cb 0.14 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 3hk9 h GLU 81 CO 0.02 1.15 -1.59 1.28 -1.16 0.00 0.00 179.01 178.72 3hk9 n LEU 82 N -4.05 0.34 -0.04 1.33 4.77 0.66 -3.88 117.00 116.12 3hk9 n LEU 82 Ca -0.02 -0.02 -0.06 0.00 -0.03 0.00 0.00 56.01 55.88 3hk9 n LEU 82 Cb 0.55 -0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.57 3hk9 n LEU 82 CO 0.49 0.01 -0.79 0.49 -1.33 0.00 0.00 177.39 176.26 3hk9 n PHE 83 N -2.18 0.00 -0.10 -1.77 3.72 0.23 -3.31 117.46 114.06 3hk9 n PHE 83 Ca -0.02 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.15 3hk9 n PHE 83 Cb 0.52 -0.36 -0.11 0.00 -0.94 0.00 0.00 39.48 38.58 3hk9 n PHE 83 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 3hk9 n ILE 84 N -2.63 1.55 0.24 4.37 2.08 -0.99 -4.38 119.36 119.60 3hk9 n ILE 84 Ca -0.15 -0.13 0.13 0.00 0.56 0.00 0.00 62.75 63.16 3hk9 n ILE 84 Cb 0.69 -1.99 0.47 0.00 -0.75 0.00 0.00 39.64 38.06 3hk9 n ILE 84 CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 3hk9 h LYS 85 N -0.93 0.00 -3.30 0.38 1.57 -1.09 -3.44 116.57 109.77 3hk9 h LYS 85 Ca -0.42 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.23 3hk9 h LYS 85 Cb 1.41 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 33.52 3hk9 h LYS 85 CO -0.23 0.10 -0.38 1.03 -0.57 0.00 0.00 179.45 179.39 3hk9 s ARG 86 N -3.52 0.59 0.22 3.15 3.00 -1.25 -5.05 118.95 116.09 3hk9 s ARG 86 Ca 0.02 -0.33 -0.30 0.00 0.00 0.00 0.00 55.73 55.12 3hk9 s ARG 86 Cb 0.08 0.25 -0.10 0.00 0.00 0.00 0.00 34.95 35.19 3hk9 s ARG 86 CO 0.61 -0.16 1.44 -1.12 0.00 0.00 0.00 175.30 176.08 3hk9 s SER 87 N -1.44 6.68 -0.85 0.23 0.01 -1.26 -3.54 113.70 113.54 3hk9 s SER 87 Ca -0.13 2.61 -0.06 0.00 1.31 0.00 0.00 55.95 59.68 3hk9 s SER 87 Cb -0.06 -2.61 -0.08 0.00 0.21 0.00 0.00 66.02 63.48 3hk9 s SER 87 CO 0.02 -0.70 2.29 -0.81 0.41 0.00 0.00 173.24 174.46 3hk9 n PRO 88 N 2.71 2.16 0.20 12.44 -0.04 -1.21 -4.57 135.00 146.69 3hk9 n PRO 88 Ca 0.08 -1.41 0.12 0.00 -0.04 0.00 0.00 63.50 62.26 3hk9 n PRO 88 Cb 0.40 -2.38 0.25 0.00 -0.04 0.00 0.00 33.50 31.73 3hk9 n PRO 88 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 3hk9 h VAL 89 N 3.18 0.00 -3.82 0.52 -1.51 -1.89 -3.24 116.25 109.50 3hk9 h VAL 89 Ca 0.48 -0.85 -0.48 0.00 -1.23 0.00 0.00 66.70 64.61 3hk9 h VAL 89 Cb 0.32 1.85 0.20 0.00 -2.13 0.00 0.00 31.29 31.54 3hk9 h VAL 89 CO 1.29 0.00 0.13 -0.94 -1.23 0.00 0.00 177.57 176.81 3hk9 s SER 90 N -5.80 2.01 0.12 4.19 1.04 -1.26 -4.73 113.70 109.26 3hk9 s SER 90 Ca 0.07 1.91 -0.16 0.00 0.48 0.00 0.00 55.95 58.25 3hk9 s SER 90 Cb 0.07 -2.47 -0.03 0.00 0.10 0.00 0.00 66.02 63.70 3hk9 s SER 90 CO 0.64 -3.63 1.64 -0.08 0.98 0.00 0.00 173.24 172.79 3hk9 h GLU 91 N -2.23 0.56 -0.64 4.02 4.57 -1.97 -0.89 114.58 118.00 3hk9 h GLU 91 Ca -0.51 -0.12 -0.06 0.00 -1.18 0.00 0.00 59.36 57.49 3hk9 h GLU 91 Cb 1.30 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 29.78 3hk9 h GLU 91 CO 0.45 0.58 0.17 0.00 -1.18 0.00 0.00 179.01 179.03 3hk9 h ALA 92 N 0.95 0.84 -0.25 2.92 0.00 -1.95 0.01 119.26 121.79 3hk9 h ALA 92 Ca 0.12 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 3hk9 h ALA 92 Cb 0.26 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3hk9 h ALA 92 CO -0.00 0.55 -0.40 0.00 0.00 0.00 0.00 179.25 179.39 3hk9 h ARG 94 N 0.48 0.95 -0.91 0.00 2.43 -0.87 -2.77 114.38 113.69 3hk9 h ARG 94 Ca 0.04 -0.19 0.06 0.00 -0.81 0.00 0.00 59.98 59.08 3hk9 h ARG 94 Cb 0.91 -0.14 -0.06 0.00 -0.42 0.00 0.00 29.97 30.25 3hk9 h ARG 94 CO 0.08 0.83 0.57 0.78 -1.51 0.00 0.00 179.97 180.72 3hk9 h GLY 95 N 0.88 1.37 0.95 2.80 0.00 -0.75 -1.20 103.07 107.11 3hk9 h GLY 95 Ca 0.20 -0.42 0.04 0.00 0.00 0.00 0.00 47.33 47.15 3hk9 h GLY 95 CO -0.01 0.29 0.61 -2.08 0.00 0.00 0.00 176.54 175.36 3hk9 h VAL 96 N 1.05 1.16 -0.39 4.60 2.07 -1.23 -1.82 116.25 121.69 3hk9 h VAL 96 Ca 0.39 -0.40 -0.12 0.00 0.82 0.00 0.00 66.70 67.39 3hk9 h VAL 96 Cb 0.16 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 29.80 3hk9 h VAL 96 CO -0.17 0.21 -0.21 -0.07 0.02 0.00 0.00 177.57 177.35 3hk9 h LEU 97 N 1.17 0.87 -1.32 2.57 3.38 -1.15 -2.25 115.31 118.57 3hk9 h LEU 97 Ca 0.37 -0.41 0.03 0.00 0.09 0.00 0.00 57.88 57.96 3hk9 h LEU 97 Cb 0.02 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.49 3hk9 h LEU 97 CO -0.11 1.09 0.48 0.74 0.09 0.00 0.00 178.44 180.72 3hk9 h THR 98 N 0.65 1.13 0.04 0.22 2.02 -0.72 -0.03 112.91 116.20 3hk9 h THR 98 Ca 0.09 -0.31 -0.00 0.00 0.77 0.00 0.00 66.41 66.96 3hk9 h THR 98 Cb 0.77 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.33 3hk9 h THR 98 CO 0.06 0.16 -0.02 0.00 0.37 0.00 0.00 175.52 176.10 3hk9 h LEU 100 N -0.41 0.35 -0.45 0.00 3.38 -0.96 -1.03 115.31 116.18 3hk9 h LEU 100 Ca -0.00 0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 3hk9 h LEU 100 Cb 0.38 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 3hk9 h LEU 100 CO 0.01 0.22 0.03 -0.61 0.09 0.00 0.00 178.44 178.18 3hk9 h GLN 101 N 0.51 0.78 -0.08 1.13 4.15 -0.94 -0.27 115.11 120.38 3hk9 h GLN 101 Ca 0.29 -0.23 -0.02 0.00 0.77 0.00 0.00 58.65 59.46 3hk9 h GLN 101 Cb 0.29 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.89 3hk9 h GLN 101 CO -0.24 0.82 -0.02 0.78 -1.93 0.00 0.00 178.83 178.24 3hk9 h GLY 102 N 0.63 0.11 0.12 2.39 0.00 -0.16 -1.56 103.07 104.61 3hk9 h GLY 102 Ca 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.41 3hk9 h GLY 102 CO 0.02 0.05 0.00 1.04 0.00 0.00 0.00 176.54 177.65 3hk9 n LEU 103 N -4.44 0.60 0.00 3.11 4.77 -0.46 -4.87 117.00 115.70 3hk9 n LEU 103 Ca -0.02 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.72 3hk9 n LEU 103 Cb 0.15 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 3hk9 n LEU 103 CO 0.35 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 3hk9 n GLY 104 N 0.93 0.69 3.93 -0.72 0.00 -0.59 -5.06 105.19 104.38 3hk9 n GLY 104 Ca 0.16 -0.01 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 3hk9 n GLY 104 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hk9 s LEU 105 N 0.00 3.35 -0.37 0.99 1.43 -0.13 -5.01 118.68 118.94 3hk9 s LEU 105 Ca 0.00 0.53 -0.00 0.00 -1.03 0.00 0.00 54.13 53.62 3hk9 s LEU 105 Cb 0.00 -3.37 0.10 0.00 0.03 0.00 0.00 46.19 42.95 3hk9 s LEU 105 CO 0.00 -0.98 0.11 -0.62 0.23 0.00 0.00 176.35 175.09 3hk9 s ASP 106 N -4.29 5.02 0.55 2.29 -1.08 -1.26 -4.11 116.67 113.79 3hk9 s ASP 106 Ca 0.53 -1.94 0.25 0.00 -0.52 0.00 0.00 52.55 50.86 3hk9 s ASP 106 Cb -0.10 -1.74 1.57 0.00 -1.46 0.00 0.00 42.92 41.19 3hk9 s ASP 106 CO 0.42 -0.44 2.19 -0.65 0.52 0.00 0.00 175.17 177.21 3hk9 h PRO 107 N 7.89 0.00 -0.68 4.34 0.11 -1.91 -2.66 132.00 139.09 3hk9 h PRO 107 Ca -0.11 0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.06 3hk9 h PRO 107 Cb 1.04 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.11 3hk9 h PRO 107 CO 0.61 0.03 0.45 0.00 -0.21 0.00 0.00 178.00 178.87 3hk9 h ALA 108 N 1.97 1.73 0.00 -0.75 0.00 -2.01 -2.21 119.26 117.99 3hk9 h ALA 108 Ca -0.00 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 3hk9 h ALA 108 Cb 0.06 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3hk9 h ALA 108 CO 0.00 0.16 -0.49 1.79 0.00 0.00 0.00 179.25 180.72 3hk9 h THR 109 N 0.70 1.04 -2.86 0.00 1.35 -1.91 -3.46 112.91 107.76 3hk9 h THR 109 Ca 0.29 -1.89 -0.36 0.00 -0.55 0.00 0.00 66.41 63.90 3hk9 h THR 109 Cb 0.25 2.12 -0.04 0.00 -1.73 0.00 0.00 68.15 68.75 3hk9 h THR 109 CO -0.09 0.48 -0.43 0.54 -0.25 0.00 0.00 175.52 175.76 3hk9 n ARG 110 N -3.51 -1.78 -2.88 4.72 1.74 -0.83 -4.88 116.66 109.24 3hk9 n ARG 110 Ca -0.00 0.90 -0.44 0.00 -0.77 0.00 0.00 57.85 57.55 3hk9 n ARG 110 Cb 0.60 -5.49 -0.00 0.00 -1.02 0.00 0.00 32.46 26.55 3hk9 n ARG 110 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3hk9 s ASP 111 N -2.14 6.99 0.36 0.55 -1.08 -1.26 -4.84 116.67 115.26 3hk9 s ASP 111 Ca 0.00 -2.81 0.07 0.00 -0.52 0.00 0.00 52.55 49.28 3hk9 s ASP 111 Cb 0.00 -2.43 0.76 0.00 -1.46 0.00 0.00 42.92 39.79 3hk9 s ASP 111 CO 0.00 -0.85 1.95 0.25 0.52 0.00 0.00 175.17 177.04 3hk9 h LEU 112 N 10.30 0.65 -0.95 -1.34 5.85 -1.98 -1.52 115.31 126.33 3hk9 h LEU 112 Ca 0.33 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 59.01 3hk9 h LEU 112 Cb 0.89 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.75 3hk9 h LEU 112 CO 1.28 0.41 0.26 1.56 -0.34 0.00 0.00 178.44 181.60 3hk9 h GLN 113 N 0.74 1.02 -0.12 1.25 1.08 -2.00 -1.15 115.11 115.93 3hk9 h GLN 113 Ca 0.33 -0.18 -0.13 0.00 -1.45 0.00 0.00 58.65 57.21 3hk9 h GLN 113 Cb 0.33 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.58 3hk9 h GLN 113 CO -0.11 0.84 -0.51 0.28 -0.95 0.00 0.00 178.83 178.38 3hk9 h VAL 114 N 1.00 1.34 -0.36 -0.54 2.07 -1.71 -2.54 116.25 115.50 3hk9 h VAL 114 Ca 0.23 -1.75 -0.04 0.00 0.82 0.00 0.00 66.70 65.96 3hk9 h VAL 114 Cb 0.21 1.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 3hk9 h VAL 114 CO -0.02 0.53 0.07 1.88 0.02 0.00 0.00 177.57 180.05 3hk9 h TYR 115 N 0.26 0.63 -0.40 1.57 0.05 -0.82 -2.57 116.97 115.68 3hk9 h TYR 115 Ca 0.01 -0.08 0.03 0.00 0.05 0.00 0.00 58.73 58.73 3hk9 h TYR 115 Cb 0.98 -0.17 -0.02 0.00 1.01 0.00 0.00 36.73 38.53 3hk9 h TYR 115 CO 0.02 0.63 0.27 0.00 -1.05 0.00 0.00 178.16 178.03 3hk9 h ARG 116 N 0.44 0.44 -0.21 4.88 3.08 -1.10 -1.97 114.38 119.95 3hk9 h ARG 116 Ca 0.11 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.09 3hk9 h ARG 116 Cb 0.33 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 3hk9 h ARG 116 CO 0.00 0.29 -0.08 0.93 -1.07 0.00 0.00 179.97 180.05 3hk9 h GLU 117 N 0.45 0.33 -0.88 0.04 5.08 -1.04 -2.16 114.58 116.40 3hk9 h GLU 117 Ca 0.16 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 3hk9 h GLU 117 Cb 0.08 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.24 3hk9 h GLU 117 CO -0.04 0.42 0.46 -0.92 -1.00 0.00 0.00 179.01 177.93 3hk9 h TYR 118 N 0.32 1.24 0.10 4.33 3.20 -1.25 -3.08 116.97 121.84 3hk9 h TYR 118 Ca 0.07 -0.04 -0.27 0.00 3.14 0.00 0.00 58.73 61.63 3hk9 h TYR 118 Cb 0.34 -0.39 -0.00 0.00 1.54 0.00 0.00 36.73 38.22 3hk9 h TYR 118 CO 0.01 0.87 -1.22 0.74 -1.64 0.00 0.00 178.16 176.92 3hk9 h PHE 119 N 1.25 0.40 0.00 -3.82 0.04 -1.56 -3.31 116.94 109.94 3hk9 h PHE 119 Ca 0.31 -0.29 -0.00 0.00 2.80 0.00 0.00 57.97 60.78 3hk9 h PHE 119 Cb 0.07 -0.02 -0.00 0.00 2.20 0.00 0.00 35.95 38.20 3hk9 h PHE 119 CO 0.01 1.24 -0.01 0.00 -0.60 0.00 0.00 178.31 178.95 3hk9 h ALA 120 N 0.65 1.03 -0.78 2.45 0.00 -1.31 -2.84 119.26 118.47 3hk9 h ALA 120 Ca -0.12 -0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.30 3hk9 h ALA 120 Cb 1.94 -0.00 -0.27 0.00 0.00 0.00 0.00 17.79 19.46 3hk9 h ALA 120 CO 0.19 0.01 0.27 0.36 0.00 0.00 0.00 179.25 180.08 3hk9 n LYS 121 N -3.14 2.50 -3.79 0.00 2.85 -1.20 -4.97 118.16 110.41 3hk9 n LYS 121 Ca -0.02 -3.35 -0.11 0.00 -1.05 0.00 0.00 58.31 53.79 3hk9 n LYS 121 Cb 0.13 -2.13 -0.07 0.00 -0.65 0.00 0.00 35.03 32.31 3hk9 n LYS 121 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 3hk9 s LYS 122 N -3.50 0.81 0.36 -1.58 2.20 -1.07 -5.10 119.74 111.86 3hk9 s LYS 122 Ca 0.55 -0.65 0.05 0.00 -0.36 0.00 0.00 55.97 55.56 3hk9 s LYS 122 Cb 0.46 0.34 -0.01 0.00 -1.51 0.00 0.00 37.83 37.11 3hk9 s LYS 122 CO 0.03 -0.26 0.52 0.95 -0.36 0.00 0.00 175.35 176.23 3hk9 s THR 123 N -2.95 4.03 0.20 3.43 -4.23 -1.26 -4.96 115.64 109.90 3hk9 s THR 123 Ca -0.02 -0.88 -0.11 0.00 -1.18 0.00 0.00 61.69 59.50 3hk9 s THR 123 Cb 0.01 -3.42 0.12 0.00 1.34 0.00 0.00 72.50 70.55 3hk9 s THR 123 CO -0.06 -0.19 1.83 0.28 -0.54 0.00 0.00 174.62 175.94 3hk9 h SER 124 N 0.77 0.64 -0.87 3.99 0.02 -1.97 -0.45 113.55 115.69 3hk9 h SER 124 Ca -0.46 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.48 3hk9 h SER 124 Cb 1.26 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 63.62 3hk9 h SER 124 CO 0.54 0.45 0.49 -0.33 -1.14 0.00 0.00 176.83 176.83 3hk9 h GLU 125 N 0.78 1.20 -0.48 3.45 3.07 -1.95 -1.26 114.58 119.39 3hk9 h GLU 125 Ca 0.26 -0.13 -0.13 0.00 -0.50 0.00 0.00 59.36 58.86 3hk9 h GLU 125 Cb 0.04 -0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 27.69 3hk9 h GLU 125 CO -0.11 0.87 -0.21 0.93 -1.40 0.00 0.00 179.01 179.09 3hk9 h GLU 126 N 1.20 0.98 -0.33 2.33 5.08 -1.78 -2.65 114.58 119.41 3hk9 h GLU 126 Ca 0.31 -0.41 -0.13 0.00 -1.00 0.00 0.00 59.36 58.12 3hk9 h GLU 126 Cb 0.01 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 3hk9 h GLU 126 CO -0.05 1.08 -0.33 0.37 -1.00 0.00 0.00 179.01 179.09 3hk9 h GLN 127 N 0.84 0.72 -0.22 2.33 5.75 -0.73 -1.58 115.11 122.22 3hk9 h GLN 127 Ca 0.11 -0.33 -0.11 0.00 -0.15 0.00 0.00 58.65 58.17 3hk9 h GLN 127 Cb 0.78 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.31 3hk9 h GLN 127 CO 0.06 0.94 -0.33 -0.39 -2.65 0.00 0.00 178.83 176.47 3hk9 h VAL 128 N 0.60 1.28 -0.31 2.39 -1.51 -1.22 0.64 116.25 118.12 3hk9 h VAL 128 Ca 0.07 -1.40 -0.02 0.00 -1.23 0.00 0.00 66.70 64.11 3hk9 h VAL 128 Cb 0.85 1.47 -0.01 0.00 -2.13 0.00 0.00 31.29 31.47 3hk9 h VAL 128 CO 0.07 0.44 0.11 0.44 -1.23 0.00 0.00 177.57 177.41 3hk9 h ASP 129 N 0.39 0.44 0.16 4.19 3.32 -1.21 -0.33 116.42 123.39 3hk9 h ASP 129 Ca 0.05 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 3hk9 h ASP 129 Cb 0.76 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.20 3hk9 h ASP 129 CO 0.06 0.51 -0.08 0.74 -1.72 0.00 0.00 179.24 178.75 3hk9 h THR 130 N 0.36 0.91 -0.28 0.35 2.02 -1.00 -2.53 112.91 112.73 3hk9 h THR 130 Ca 0.10 -0.30 -0.01 0.00 0.77 0.00 0.00 66.41 66.97 3hk9 h THR 130 Cb 0.21 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 3hk9 h THR 130 CO -0.01 0.07 0.12 0.58 0.37 0.00 0.00 175.52 176.65 3hk9 h VAL 131 N -0.36 1.17 -0.18 3.16 2.07 -0.85 -0.51 116.25 120.75 3hk9 h VAL 131 Ca -0.02 -0.51 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 3hk9 h VAL 131 Cb 0.28 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 3hk9 h VAL 131 CO 0.04 0.17 0.05 -0.07 0.02 0.00 0.00 177.57 177.78 3hk9 h LEU 132 N 0.31 0.22 -0.02 2.57 3.38 -1.10 0.41 115.31 121.08 3hk9 h LEU 132 Ca 0.10 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 3hk9 h LEU 132 Cb 0.16 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3hk9 h LEU 132 CO -0.01 0.23 -0.13 -0.61 0.09 0.00 0.00 178.44 178.01 3hk9 h GLN 133 N 0.25 0.12 -0.75 1.13 4.15 -1.15 -0.43 115.11 118.43 3hk9 h GLN 133 Ca 0.06 -0.11 -0.05 0.00 0.77 0.00 0.00 58.65 59.33 3hk9 h GLN 133 Cb 0.10 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.78 3hk9 h GLN 133 CO -0.00 0.80 0.28 -0.07 -1.93 0.00 0.00 178.83 177.91 3hk9 h LEU 134 N -0.53 1.03 -0.01 -2.39 3.38 -0.70 -2.03 115.31 114.06 3hk9 h LEU 134 Ca -0.01 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3hk9 h LEU 134 Cb 0.84 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3hk9 h LEU 134 CO 0.03 0.93 -0.17 0.00 0.09 0.00 0.00 178.44 179.31 3hk9 n ALA 135 N -2.44 2.76 -3.71 1.53 0.00 0.14 -4.93 120.51 113.86 3hk9 n ALA 135 Ca 0.07 -0.19 -0.23 0.00 0.00 0.00 0.00 53.44 53.08 3hk9 n ALA 135 Cb 0.19 -1.35 0.04 0.00 0.00 0.00 0.00 19.45 18.34 3hk9 n ALA 135 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3hk9 n ASN 136 N -1.47 -2.57 -4.49 0.00 5.15 -0.31 -4.83 115.26 106.75 3hk9 n ASN 136 Ca 0.07 -0.76 -0.37 0.00 -0.60 0.00 0.00 54.58 52.92 3hk9 n ASN 136 Cb 0.33 -4.23 -0.12 0.00 -0.53 0.00 0.00 39.78 35.23 3hk9 n ASN 136 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3hk9 s VAL 137 N -3.52 4.59 -0.08 3.44 1.01 -0.41 -1.18 120.40 124.26 3hk9 s VAL 137 Ca 0.21 -0.08 -0.09 0.00 0.00 0.00 0.00 61.98 62.03 3hk9 s VAL 137 Cb -0.10 -3.16 -0.28 0.00 0.00 0.00 0.00 36.38 32.83 3hk9 s VAL 137 CO 0.80 0.32 0.52 0.77 0.00 0.00 0.00 175.10 177.50 3hk9 h SER 138 N 8.26 0.52 -3.54 3.32 4.64 -1.18 -3.44 113.55 122.11 3hk9 h SER 138 Ca -0.37 -0.94 -0.42 0.00 -0.47 0.00 0.00 61.79 59.58 3hk9 h SER 138 Cb 1.18 -0.17 -0.33 0.00 -0.31 0.00 0.00 62.40 62.77 3hk9 h SER 138 CO 0.57 1.82 -0.78 -1.81 -0.87 0.00 0.00 176.83 175.76 3hk9 s ASP 139 N -7.17 1.08 -0.14 4.97 1.01 -1.12 -4.73 116.67 110.59 3hk9 s ASP 139 Ca -0.19 -0.16 -0.00 0.00 0.71 0.00 0.00 52.55 52.91 3hk9 s ASP 139 Cb 0.06 -0.46 -0.01 0.00 1.01 0.00 0.00 42.92 43.51 3hk9 s ASP 139 CO 0.81 -0.01 -0.14 -0.69 0.21 0.00 0.00 175.17 175.35 3hk9 s VAL 140 N 0.68 2.96 -0.24 -1.27 1.01 0.05 -0.26 120.40 123.32 3hk9 s VAL 140 Ca -0.10 -0.69 -0.10 0.00 0.00 0.00 0.00 61.98 61.09 3hk9 s VAL 140 Cb -0.13 -2.24 -0.05 0.00 0.00 0.00 0.00 36.38 33.96 3hk9 s VAL 140 CO 0.01 0.52 0.15 -0.69 0.00 0.00 0.00 175.10 175.08 3hk9 s VAL 141 N 0.47 5.23 0.78 2.92 1.01 0.12 -0.40 120.40 130.52 3hk9 s VAL 141 Ca -0.10 0.13 -0.03 0.00 0.00 0.00 0.00 61.98 61.98 3hk9 s VAL 141 Cb -0.16 -3.43 0.15 0.00 0.00 0.00 0.00 36.38 32.94 3hk9 s VAL 141 CO 0.05 0.35 1.07 -0.04 0.00 0.00 0.00 175.10 176.52 3hk9 s MET 142 N 1.07 1.42 -0.29 2.72 -1.94 0.41 -1.23 119.30 121.46 3hk9 s MET 142 Ca 0.07 -1.03 0.02 0.00 -1.71 0.00 0.00 55.69 53.03 3hk9 s MET 142 Cb -0.14 -2.24 0.08 0.00 2.01 0.00 0.00 34.83 34.55 3hk9 s MET 142 CO 0.04 -1.68 -0.00 0.99 -0.01 0.00 0.00 175.02 174.36 3hk9 s THR 143 N -3.30 1.80 -0.33 2.05 2.01 -1.10 -3.62 115.64 113.15 3hk9 s THR 143 Ca 0.68 -1.72 -0.06 0.00 0.31 0.00 0.00 61.69 60.90 3hk9 s THR 143 Cb -0.05 -2.17 0.03 0.00 0.01 0.00 0.00 72.50 70.33 3hk9 s THR 143 CO 0.46 -0.35 0.10 0.20 -0.69 0.00 0.00 174.62 174.33 3hk9 s ASN 144 N 1.21 5.25 -0.47 3.53 -0.87 -0.71 -4.95 114.94 117.92 3hk9 s ASN 144 Ca 0.02 -1.03 -0.13 0.00 -1.57 0.00 0.00 52.86 50.16 3hk9 s ASN 144 Cb -0.19 -1.87 0.10 0.00 -0.02 0.00 0.00 41.25 39.27 3hk9 s ASN 144 CO -0.10 -0.29 0.37 -0.62 -2.57 0.00 0.00 177.10 173.90 3hk9 s ASP 145 N 1.43 5.93 0.59 -1.22 2.15 -1.26 -1.89 116.67 122.40 3hk9 s ASP 145 Ca -0.01 -1.61 0.39 0.00 0.43 0.00 0.00 52.55 51.76 3hk9 s ASP 145 Cb -0.19 -2.10 2.10 0.00 -0.30 0.00 0.00 42.92 42.43 3hk9 s ASP 145 CO 0.03 -0.68 2.20 1.55 -0.17 0.00 0.00 175.17 178.10 3hk9 h PRO 146 N 8.63 0.00 0.00 4.34 0.13 -1.94 -1.69 132.00 141.47 3hk9 h PRO 146 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3hk9 h PRO 146 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3hk9 h PRO 146 CO 0.88 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.84 3hk9 n PHE 147 N -2.91 0.75 -2.82 1.56 3.72 -1.26 -4.35 117.46 112.15 3hk9 n PHE 147 Ca -0.02 0.23 -0.42 0.00 -0.05 0.00 0.00 57.45 57.19 3hk9 n PHE 147 Cb 0.08 -0.87 -0.03 0.00 -0.94 0.00 0.00 39.48 37.72 3hk9 n PHE 147 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3hk9 s ASP 148 N -4.21 7.10 0.17 4.37 2.15 -0.64 -4.95 116.67 120.66 3hk9 s ASP 148 Ca 0.10 1.34 -0.14 0.00 0.43 0.00 0.00 52.55 54.28 3hk9 s ASP 148 Cb 0.13 -2.50 0.11 0.00 -0.30 0.00 0.00 42.92 40.36 3hk9 s ASP 148 CO 0.55 -0.38 1.76 0.44 -0.17 0.00 0.00 175.17 177.37 3hk9 h ASP 149 N 7.15 0.23 -0.81 -0.34 3.32 -1.87 0.09 116.42 124.19 3hk9 h ASP 149 Ca -0.32 0.04 -0.04 0.00 0.02 0.00 0.00 57.03 56.73 3hk9 h ASP 149 Cb 1.15 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.67 3hk9 h ASP 149 CO 0.83 0.17 0.34 0.78 -1.72 0.00 0.00 179.24 179.64 3hk9 h ASN 150 N 0.37 1.11 -0.10 6.45 2.35 -1.95 -2.29 115.58 121.53 3hk9 h ASN 150 Ca 0.20 -0.16 -0.07 0.00 -0.55 0.00 0.00 56.30 55.71 3hk9 h ASN 150 Cb 0.15 -0.29 0.00 0.00 0.05 0.00 0.00 38.32 38.24 3hk9 h ASN 150 CO -0.17 0.97 -0.22 -0.33 -1.65 0.00 0.00 177.43 176.02 3hk9 h GLU 151 N 1.18 0.32 -0.21 0.81 5.08 -1.76 -3.24 114.58 116.76 3hk9 h GLU 151 Ca 0.27 -0.22 0.04 0.00 -1.00 0.00 0.00 59.36 58.46 3hk9 h GLU 151 Cb 0.19 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 3hk9 h GLU 151 CO -0.03 0.82 -0.07 -0.09 -1.00 0.00 0.00 179.01 178.64 3hk9 h ARG 152 N -0.13 -0.02 -0.87 2.33 2.43 -0.92 -2.43 114.38 114.77 3hk9 h ARG 152 Ca 0.00 0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.28 3hk9 h ARG 152 Cb 0.81 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.30 3hk9 h ARG 152 CO 0.05 -0.01 0.56 0.82 -1.51 0.00 0.00 179.97 179.88 3hk9 h ILE 153 N -0.02 0.92 -0.42 1.20 2.04 -1.51 -0.54 117.51 119.18 3hk9 h ILE 153 Ca 0.11 -0.27 -0.02 0.00 1.00 0.00 0.00 64.86 65.67 3hk9 h ILE 153 Cb 0.18 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.30 3hk9 h ILE 153 CO -0.23 0.14 0.18 0.28 0.00 0.00 0.00 178.15 178.52 3hk9 h SER 154 N 0.79 0.57 -0.36 1.72 0.02 -1.46 -0.82 113.55 114.01 3hk9 h SER 154 Ca 0.42 -0.16 -0.12 0.00 -0.84 0.00 0.00 61.79 61.09 3hk9 h SER 154 Cb 0.52 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 3hk9 h SER 154 CO -0.18 0.57 -0.23 -0.50 -1.14 0.00 0.00 176.83 175.36 3hk9 h TRP 155 N 0.54 0.93 0.00 3.45 4.06 -1.17 -0.56 115.95 123.19 3hk9 h TRP 155 Ca 0.14 -0.24 -0.04 0.00 2.06 0.00 0.00 58.89 60.81 3hk9 h TRP 155 Cb 0.17 -0.21 -0.01 0.00 -1.00 0.00 0.00 29.16 28.12 3hk9 h TRP 155 CO -0.00 1.00 -0.19 -0.07 -3.56 0.00 0.00 178.44 175.62 3hk9 h LEU 156 N 0.58 0.00 -3.54 -4.49 3.38 -1.01 -2.61 115.31 107.63 3hk9 h LEU 156 Ca 0.07 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.64 3hk9 h LEU 156 Cb 0.79 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 41.31 3hk9 h LEU 156 CO 0.06 0.19 0.52 -0.62 0.09 0.00 0.00 178.44 178.68 3hk9 n GLU 157 N -3.92 1.99 -0.98 1.13 1.02 -0.32 -4.89 120.64 114.67 3hk9 n GLU 157 Ca -0.02 -2.29 0.00 0.00 -0.02 0.00 0.00 57.16 54.83 3hk9 n GLU 157 Cb 0.28 -1.90 0.00 0.00 -0.02 0.00 0.00 31.44 29.80 3hk9 n GLU 157 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hk9 n GLY 158 N -0.66 0.82 3.73 0.62 0.00 -0.98 -5.01 105.19 103.71 3hk9 n GLY 158 Ca 0.45 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.06 3hk9 n GLY 158 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hk9 s LYS 159 N -0.07 4.24 -0.01 1.61 -0.14 -0.23 -5.00 119.74 120.13 3hk9 s LYS 159 Ca 0.00 2.34 0.00 0.00 -1.36 0.00 0.00 55.97 56.95 3hk9 s LYS 159 Cb 0.00 -3.12 0.01 0.00 -1.68 0.00 0.00 37.83 33.04 3hk9 s LYS 159 CO 0.00 -0.51 0.01 -0.65 -0.76 0.00 0.00 175.35 173.45 3hk9 s GLN 160 N 0.21 -0.00 0.58 1.68 -1.52 -1.26 -4.58 119.66 114.76 3hk9 s GLN 160 Ca 0.64 0.08 -0.18 0.00 -1.95 0.00 0.00 55.36 53.95 3hk9 s GLN 160 Cb -0.43 -0.13 -0.04 0.00 -0.22 0.00 0.00 33.01 32.19 3hk9 s GLN 160 CO 0.39 -0.08 1.11 -1.25 -0.25 0.00 0.00 175.29 175.21 3hk9 s PRO 161 N 0.50 3.20 0.98 2.91 0.04 -1.26 -4.96 135.00 136.41 3hk9 s PRO 161 Ca -0.04 1.49 -0.14 0.00 0.04 0.00 0.00 61.00 62.35 3hk9 s PRO 161 Cb -0.06 -2.00 0.18 0.00 0.04 0.00 0.00 34.50 32.66 3hk9 s PRO 161 CO -0.01 -0.95 1.15 0.16 0.04 0.00 0.00 177.00 177.39 3hk9 s ASP 162 N -2.13 2.84 0.39 6.66 1.47 -1.26 -4.87 116.67 119.77 3hk9 s ASP 162 Ca 0.70 0.84 0.20 0.00 1.18 0.00 0.00 52.55 55.47 3hk9 s ASP 162 Cb -0.22 -1.30 1.06 0.00 -0.34 0.00 0.00 42.92 42.12 3hk9 s ASP 162 CO 0.32 -2.95 1.55 -1.28 0.68 0.00 0.00 175.17 173.48 3hk9 h SER 163 N -1.78 0.00 1.39 2.11 0.87 -2.01 -1.59 113.55 112.55 3hk9 h SER 163 Ca -0.49 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.06 3hk9 h SER 163 Cb 1.31 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.27 3hk9 h SER 163 CO 0.53 0.00 -0.61 0.03 -0.53 0.00 0.00 176.83 176.25 3hk9 h ARG 164 N 0.00 0.00 -5.73 2.24 3.08 -1.90 -3.46 114.38 108.61 3hk9 h ARG 164 Ca 0.00 0.00 -0.66 0.00 0.07 0.00 0.00 59.98 59.39 3hk9 h ARG 164 Cb 0.42 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 30.29 3hk9 h ARG 164 CO 0.00 0.01 -0.65 -0.06 -1.07 0.00 0.00 179.97 178.20 3hk9 s PHE 165 N -3.30 3.08 0.08 3.04 0.08 -0.60 -0.77 117.98 119.58 3hk9 s PHE 165 Ca 0.02 -0.01 0.09 0.00 0.12 0.00 0.00 56.93 57.15 3hk9 s PHE 165 Cb 0.08 -1.85 -0.03 0.00 -0.57 0.00 0.00 43.02 40.64 3hk9 s PHE 165 CO 0.74 0.25 -0.25 -1.01 -0.10 0.00 0.00 175.22 174.86 3hk9 s HIS 166 N -0.36 2.13 0.39 0.36 3.76 0.46 -4.63 115.29 117.40 3hk9 s HIS 166 Ca 0.06 -0.40 -0.09 0.00 -0.15 0.00 0.00 55.06 54.49 3hk9 s HIS 166 Cb -0.12 -1.22 -0.06 0.00 1.11 0.00 0.00 32.58 32.28 3hk9 s HIS 166 CO 0.02 0.19 0.73 0.00 -0.85 0.00 0.00 174.74 174.83 3hk9 s ALA 167 N -0.93 3.41 -0.09 -1.40 0.00 -1.26 -0.45 121.76 121.04 3hk9 s ALA 167 Ca 0.11 -0.30 -0.03 0.00 0.00 0.00 0.00 51.96 51.74 3hk9 s ALA 167 Cb -0.10 -2.61 0.05 0.00 0.00 0.00 0.00 23.12 20.45 3hk9 s ALA 167 CO 0.03 0.01 0.13 0.00 0.00 0.00 0.00 175.76 175.93 3hk9 s ALA 168 N -2.35 0.02 -0.59 0.00 0.00 -1.24 -1.39 121.76 116.20 3hk9 s ALA 168 Ca 0.49 0.33 -0.27 0.00 0.00 0.00 0.00 51.96 52.51 3hk9 s ALA 168 Cb -0.10 -0.81 0.00 0.00 0.00 0.00 0.00 23.12 22.21 3hk9 s ALA 168 CO 0.32 -0.65 1.58 -1.17 0.00 0.00 0.00 175.76 175.84 3hk9 s LEU 169 N 2.24 3.33 -0.23 0.00 2.96 -0.83 -1.74 118.68 124.41 3hk9 s LEU 169 Ca 0.04 0.25 -0.23 0.00 -0.22 0.00 0.00 54.13 53.97 3hk9 s LEU 169 Cb -0.13 -2.81 -0.01 0.00 0.50 0.00 0.00 46.19 43.74 3hk9 s LEU 169 CO -0.06 -1.97 0.75 -0.60 -1.32 0.00 0.00 176.35 173.15 3hk9 s ARG 170 N 6.11 4.19 -0.20 1.98 6.06 -0.79 -0.30 118.95 135.99 3hk9 s ARG 170 Ca 0.57 0.80 0.14 0.00 -2.50 0.00 0.00 55.73 54.74 3hk9 s ARG 170 Cb -0.12 -3.63 0.43 0.00 0.06 0.00 0.00 34.95 31.70 3hk9 s ARG 170 CO 0.22 -0.42 1.32 1.28 -2.50 0.00 0.00 175.30 175.20 3hk9 n LEU 171 N 5.67 3.28 -0.15 -0.88 4.77 0.53 -4.41 117.00 125.80 3hk9 n LEU 171 Ca 0.03 -3.43 -0.05 0.00 -0.03 0.00 0.00 56.01 52.53 3hk9 n LEU 171 Cb 0.48 -0.53 0.02 0.00 -2.33 0.00 0.00 43.42 41.06 3hk9 n LEU 171 CO 0.46 0.99 0.69 0.44 -1.33 0.00 0.00 177.39 178.64 3hk9 h ASP 172 N 0.90 -0.80 -0.92 -1.43 5.19 -1.93 -1.61 116.42 115.82 3hk9 h ASP 172 Ca 0.06 0.18 0.04 0.00 -0.62 0.00 0.00 57.03 56.69 3hk9 h ASP 172 Cb 1.29 0.43 -0.06 0.00 0.18 0.00 0.00 39.33 41.17 3hk9 h ASP 172 CO 0.16 -0.26 0.60 -0.65 -3.12 0.00 0.00 179.24 175.97 3hk9 h PRO 173 N -0.13 1.11 -0.20 3.56 0.11 -1.95 0.13 132.00 134.63 3hk9 h PRO 173 Ca 0.22 -0.07 -0.04 0.00 0.11 0.00 0.00 66.00 66.23 3hk9 h PRO 173 Cb 0.48 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.33 3hk9 h PRO 173 CO -0.56 0.74 -0.02 1.25 -0.21 0.00 0.00 178.00 179.20 3hk9 h LEU 174 N 1.15 0.37 0.06 2.35 5.85 -1.75 -1.19 115.31 122.15 3hk9 h LEU 174 Ca 0.37 -0.34 -0.26 0.00 0.84 0.00 0.00 57.88 58.50 3hk9 h LEU 174 Cb 0.02 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 3hk9 h LEU 174 CO -0.13 0.62 -1.25 -0.07 -0.34 0.00 0.00 178.44 177.27 3hk9 h LEU 175 N 0.11 0.19 0.00 2.25 3.38 -1.17 -3.27 115.31 116.80 3hk9 h LEU 175 Ca 0.05 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3hk9 h LEU 175 Cb 0.44 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3hk9 h LEU 175 CO 0.01 1.18 -1.45 0.59 0.09 0.00 0.00 178.44 178.86 3hk9 n ASN 176 N -3.38 0.75 -2.69 -0.43 3.02 0.44 -3.82 115.26 109.14 3hk9 n ASN 176 Ca -0.07 -0.39 -0.05 0.00 -0.03 0.00 0.00 54.58 54.04 3hk9 n ASN 176 Cb 1.00 1.51 0.04 0.00 -0.61 0.00 0.00 39.78 41.72 3hk9 n ASN 176 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3hk9 n GLU 177 N -1.86 1.99 -0.30 3.52 1.02 -0.45 -4.93 120.64 119.64 3hk9 n GLU 177 Ca -0.01 -3.60 0.14 0.00 -0.02 0.00 0.00 57.16 53.67 3hk9 n GLU 177 Cb 0.41 -1.69 0.38 0.00 -0.02 0.00 0.00 31.44 30.52 3hk9 n GLU 177 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 3hk9 h TYR 178 N 2.58 0.86 -0.71 -0.32 3.20 -1.59 -0.35 116.97 120.64 3hk9 h TYR 178 Ca -0.05 0.03 0.15 0.00 3.14 0.00 0.00 58.73 62.00 3hk9 h TYR 178 Cb 1.30 -0.26 -0.04 0.00 1.54 0.00 0.00 36.73 39.26 3hk9 h TYR 178 CO 0.56 0.26 0.48 0.93 -1.64 0.00 0.00 178.16 178.75 3hk9 h GLU 179 N 0.67 0.31 0.06 1.82 4.39 -1.91 0.23 114.58 120.15 3hk9 h GLU 179 Ca 0.50 -0.02 -0.37 0.00 0.34 0.00 0.00 59.36 59.81 3hk9 h GLU 179 Cb 0.88 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 29.42 3hk9 h GLU 179 CO -0.26 0.20 -2.15 1.04 -1.16 0.00 0.00 179.01 176.69 3hk9 n GLN 180 N -4.45 0.69 0.24 2.33 3.00 -0.56 -4.38 117.38 114.25 3hk9 n GLN 180 Ca 0.13 0.25 0.10 0.00 -0.01 0.00 0.00 57.00 57.47 3hk9 n GLN 180 Cb 0.55 -1.63 0.60 0.00 0.00 0.00 0.00 30.24 29.76 3hk9 n GLN 180 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.06 178.21 3hk9 h THR 181 N -0.13 0.75 -0.58 5.09 2.02 -0.73 -2.87 112.91 116.47 3hk9 h THR 181 Ca -0.49 -0.77 0.09 0.00 0.77 0.00 0.00 66.41 66.01 3hk9 h THR 181 Cb 1.89 1.47 -0.04 0.00 -1.74 0.00 0.00 68.15 69.74 3hk9 h THR 181 CO -0.04 0.19 0.39 0.07 0.37 0.00 0.00 175.52 176.50 3hk9 h LYS 182 N 0.00 0.42 -0.28 6.66 2.10 -0.75 -1.03 116.57 123.68 3hk9 h LYS 182 Ca -0.00 -0.03 -0.13 0.00 -2.00 0.00 0.00 60.65 58.49 3hk9 h LYS 182 Cb 0.45 -0.09 -0.01 0.00 -0.90 0.00 0.00 32.23 31.68 3hk9 h LYS 182 CO 0.02 0.28 -0.36 0.45 -2.00 0.00 0.00 179.45 177.84 3hk9 h HIS 183 N 0.43 0.73 -0.34 0.07 3.86 -1.76 -2.52 115.15 115.63 3hk9 h HIS 183 Ca 0.27 -0.20 -0.14 0.00 -1.16 0.00 0.00 60.37 59.13 3hk9 h HIS 183 Cb 0.48 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.78 3hk9 h HIS 183 CO -0.00 0.90 -0.37 0.00 0.86 0.00 0.00 177.93 179.32 3hk9 h ARG 184 N 0.52 0.78 -0.97 2.45 3.08 -1.35 -0.81 114.38 118.08 3hk9 h ARG 184 Ca 0.05 -0.39 0.01 0.00 0.07 0.00 0.00 59.98 59.73 3hk9 h ARG 184 Cb 0.87 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.87 3hk9 h ARG 184 CO 0.07 1.02 0.64 -0.07 -1.07 0.00 0.00 179.97 180.56 3hk9 h LEU 185 N 0.64 1.11 -0.42 3.04 3.38 -1.21 -0.77 115.31 121.08 3hk9 h LEU 185 Ca 0.06 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 3hk9 h LEU 185 Cb 0.92 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 3hk9 h LEU 185 CO 0.08 0.80 0.02 0.03 0.09 0.00 0.00 178.44 179.46 3hk9 h ARG 186 N 1.30 0.72 0.00 1.13 3.08 -1.15 0.13 114.38 119.59 3hk9 h ARG 186 Ca 0.36 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 60.19 3hk9 h ARG 186 Cb -0.13 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 29.85 3hk9 h ARG 186 CO -0.08 0.79 0.00 -0.25 -1.07 0.00 0.00 179.97 179.35 3hk9 n ASP 187 N -4.45 0.37 -0.97 7.04 8.00 -0.33 -1.44 116.55 124.77 3hk9 n ASP 187 Ca -0.00 0.64 0.08 0.00 0.71 0.00 0.00 54.79 56.21 3hk9 n ASP 187 Cb 0.27 -0.70 0.24 0.00 -0.02 0.00 0.00 41.12 40.92 3hk9 n ASP 187 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 3hk9 n TRP 188 N -1.96 0.86 -0.56 1.24 8.01 -0.40 -4.96 117.44 119.68 3hk9 n TRP 188 Ca 0.01 -0.63 0.00 0.00 -1.31 0.00 0.00 57.50 55.57 3hk9 n TRP 188 Cb 0.10 -0.15 0.00 0.00 -2.01 0.00 0.00 31.31 29.24 3hk9 n TRP 188 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3hk9 n GLY 189 N 0.45 0.80 3.51 6.99 0.00 -0.52 -5.02 105.19 111.40 3hk9 n GLY 189 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 3hk9 n GLY 189 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hk9 s TYR 190 N -3.13 2.95 -1.38 1.61 2.02 0.37 -4.96 117.35 114.82 3hk9 s TYR 190 Ca 0.00 -0.09 -0.15 0.00 -0.37 0.00 0.00 57.07 56.46 3hk9 s TYR 190 Cb 0.00 -3.72 0.02 0.00 -0.40 0.00 0.00 41.96 37.86 3hk9 s TYR 190 CO 0.00 -1.10 2.17 1.63 -1.57 0.00 0.00 175.55 176.69 3hk9 n LYS 191 N 6.77 2.73 -2.80 -0.62 4.76 -1.26 -3.09 118.16 124.65 3hk9 n LYS 191 Ca -0.00 -2.56 -0.41 0.00 -2.87 0.00 0.00 58.31 52.46 3hk9 n LYS 191 Cb 0.47 -3.27 -0.04 0.00 -1.84 0.00 0.00 35.03 30.36 3hk9 n LYS 191 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 3hk9 s VAL 192 N 3.47 4.78 0.43 -0.18 -7.23 -1.26 -4.48 120.40 115.93 3hk9 s VAL 192 Ca 0.48 1.91 -0.04 0.00 -1.81 0.00 0.00 61.98 62.52 3hk9 s VAL 192 Cb 0.13 -4.25 -0.04 0.00 0.56 0.00 0.00 36.38 32.78 3hk9 s VAL 192 CO -0.06 0.24 0.71 0.20 -0.31 0.00 0.00 175.10 175.89 3hk9 s ASN 193 N 0.57 6.31 0.45 4.85 0.01 -1.26 -4.96 114.94 120.91 3hk9 s ASN 193 Ca 0.47 0.83 0.13 0.00 -0.71 0.00 0.00 52.86 53.57 3hk9 s ASN 193 Cb -0.21 -2.20 1.04 0.00 0.41 0.00 0.00 41.25 40.29 3hk9 s ASN 193 CO 0.26 -0.47 2.04 0.44 -1.51 0.00 0.00 177.10 177.86 3hk9 h ASP 194 N 0.57 0.31 -3.21 -1.22 5.19 -2.02 -3.41 116.42 112.63 3hk9 h ASP 194 Ca -0.48 -0.00 -0.66 0.00 -0.62 0.00 0.00 57.03 55.28 3hk9 h ASP 194 Cb 1.20 -0.07 -0.11 0.00 0.18 0.00 0.00 39.33 40.54 3hk9 h ASP 194 CO 0.62 0.21 -0.61 -1.83 -3.12 0.00 0.00 179.24 174.51 3hk9 s GLU 195 N -5.34 2.92 -1.12 3.56 -1.05 -1.26 -5.02 118.70 111.39 3hk9 s GLU 195 Ca -0.07 -0.58 -0.23 0.00 -0.15 0.00 0.00 54.97 53.94 3hk9 s GLU 195 Cb 0.18 -2.76 -0.06 0.00 -0.44 0.00 0.00 34.13 31.05 3hk9 s GLU 195 CO 0.73 0.62 1.91 -0.46 0.95 0.00 0.00 175.26 179.01 3hk9 s TRP 196 N -1.19 1.99 0.56 4.83 -0.11 -1.26 -4.74 118.94 119.00 3hk9 s TRP 196 Ca 0.23 0.33 0.05 0.00 1.22 0.00 0.00 56.10 57.93 3hk9 s TRP 196 Cb -0.12 -4.08 0.05 0.00 -1.50 0.00 0.00 33.47 27.82 3hk9 s TRP 196 CO 0.14 -1.40 0.38 0.27 -4.62 0.00 0.00 176.95 171.73 3hk9 n ASN 197 N 13.73 2.84 -0.01 5.86 0.23 -1.26 -4.97 115.26 131.68 3hk9 n ASN 197 Ca 0.44 -2.95 0.06 0.00 -0.53 0.00 0.00 54.58 51.59 3hk9 n ASN 197 Cb 0.47 -0.01 0.45 0.00 -2.08 0.00 0.00 39.78 38.61 3hk9 n ASN 197 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 3hk9 h GLU 198 N 0.00 0.48 -0.34 -3.83 4.57 -1.99 -1.34 114.58 112.13 3hk9 h GLU 198 Ca -0.36 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 57.76 3hk9 h GLU 198 Cb 1.29 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.76 3hk9 h GLU 198 CO 0.57 0.32 0.08 0.78 -1.18 0.00 0.00 179.01 179.58 3hk9 h GLY 199 N 0.50 0.59 1.01 1.92 0.00 -1.94 -1.07 103.07 104.08 3hk9 h GLY 199 Ca 0.17 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 47.10 3hk9 h GLY 199 CO -0.04 0.34 0.30 1.76 0.00 0.00 0.00 176.54 178.90 3hk9 h SER 200 N 0.40 0.89 -0.59 0.19 0.02 -1.60 -1.55 113.55 111.31 3hk9 h SER 200 Ca 0.11 -0.15 -0.02 0.00 -0.84 0.00 0.00 61.79 60.89 3hk9 h SER 200 Cb 0.30 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.58 3hk9 h SER 200 CO 0.00 0.80 0.28 0.40 -1.14 0.00 0.00 176.83 177.17 3hk9 h ILE 201 N 0.93 1.21 -0.16 3.27 2.04 -1.07 -1.52 117.51 122.22 3hk9 h ILE 201 Ca 0.23 -0.60 -0.12 0.00 1.00 0.00 0.00 64.86 65.37 3hk9 h ILE 201 Cb 0.16 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 3hk9 h ILE 201 CO -0.02 0.24 -0.42 1.56 0.00 0.00 0.00 178.15 179.51 3hk9 h GLN 202 N 0.80 0.37 -0.02 2.37 1.08 -0.98 -1.59 115.11 117.14 3hk9 h GLN 202 Ca 0.20 -0.18 -0.18 0.00 -1.45 0.00 0.00 58.65 57.04 3hk9 h GLN 202 Cb 0.12 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.54 3hk9 h GLN 202 CO -0.02 0.72 -0.77 0.93 -0.95 0.00 0.00 178.83 178.74 3hk9 h GLU 203 N 0.31 0.19 -0.21 1.46 4.39 -1.04 -0.15 114.58 119.53 3hk9 h GLU 203 Ca 0.03 -0.17 -0.18 0.00 0.34 0.00 0.00 59.36 59.37 3hk9 h GLU 203 Cb 0.86 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.56 3hk9 h GLU 203 CO 0.07 0.87 -0.57 0.28 -1.16 0.00 0.00 179.01 178.50 3hk9 h VAL 204 N 0.12 1.30 -0.57 3.13 2.07 -1.19 -1.17 116.25 119.93 3hk9 h VAL 204 Ca -0.03 -1.78 0.00 0.00 0.82 0.00 0.00 66.70 65.71 3hk9 h VAL 204 Cb 1.35 1.85 -0.03 0.00 -1.52 0.00 0.00 31.29 32.95 3hk9 h VAL 204 CO 0.12 0.57 0.37 0.11 0.02 0.00 0.00 177.57 178.75 3hk9 h LYS 205 N 0.48 0.76 -0.82 1.57 1.57 -1.22 -1.88 116.57 117.02 3hk9 h LYS 205 Ca -0.01 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.72 3hk9 h LYS 205 Cb 1.19 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 33.29 3hk9 h LYS 205 CO 0.12 0.51 0.54 -0.09 -0.57 0.00 0.00 179.45 179.96 3hk9 h ARG 206 N 0.77 1.09 -0.61 3.15 2.43 -0.87 0.10 114.38 120.44 3hk9 h ARG 206 Ca 0.21 -0.07 0.05 0.00 -0.81 0.00 0.00 59.98 59.35 3hk9 h ARG 206 Cb -0.08 -0.24 -0.05 0.00 -0.42 0.00 0.00 29.97 29.18 3hk9 h ARG 206 CO -0.04 0.73 0.34 0.35 -1.51 0.00 0.00 179.97 179.83 3hk9 h PHE 207 N 1.11 0.63 -0.05 2.20 3.57 -0.70 0.21 116.94 123.91 3hk9 h PHE 207 Ca 0.30 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.82 3hk9 h PHE 207 Cb -0.11 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 38.43 3hk9 h PHE 207 CO -0.01 0.32 0.01 -0.07 -2.23 0.00 0.00 178.31 176.33 3hk9 h LEU 208 N 0.65 0.08 -1.13 0.59 3.38 -0.56 -2.64 115.31 115.69 3hk9 h LEU 208 Ca 0.26 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3hk9 h LEU 208 Cb 0.12 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 3hk9 h LEU 208 CO -0.15 0.31 0.43 0.74 0.09 0.00 0.00 178.44 179.86 3hk9 h THR 209 N -0.15 1.22 -0.58 0.22 2.02 -0.52 0.24 112.91 115.37 3hk9 h THR 209 Ca 0.02 -0.51 -0.01 0.00 0.77 0.00 0.00 66.41 66.68 3hk9 h THR 209 Cb 0.26 0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 66.82 3hk9 h THR 209 CO 0.00 0.24 0.33 0.44 0.37 0.00 0.00 175.52 176.89 3hk9 h ASP 210 N 1.05 0.71 1.07 4.18 3.32 -0.47 -1.37 116.42 124.91 3hk9 h ASP 210 Ca 0.27 -0.08 -0.11 0.00 0.02 0.00 0.00 57.03 57.13 3hk9 h ASP 210 Cb -0.01 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 3hk9 h ASP 210 CO -0.05 0.59 -0.51 -0.50 -1.72 0.00 0.00 179.24 177.05 3hk9 h TRP 211 N 0.78 0.00 -0.38 4.55 4.06 -1.08 -1.60 115.95 122.27 3hk9 h TRP 211 Ca 0.20 0.00 -0.12 0.00 2.06 0.00 0.00 58.89 61.03 3hk9 h TRP 211 Cb 0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.17 3hk9 h TRP 211 CO -0.02 0.51 -0.26 0.82 -3.56 0.00 0.00 178.44 175.93 3hk9 h ILE 212 N 0.00 1.27 -0.35 1.49 2.04 -0.65 0.59 117.51 121.91 3hk9 h ILE 212 Ca -0.01 -1.40 -0.17 0.00 1.00 0.00 0.00 64.86 64.29 3hk9 h ILE 212 Cb 1.18 1.26 -0.00 0.00 -0.74 0.00 0.00 36.82 38.52 3hk9 h ILE 212 CO 0.07 0.46 -0.44 -0.33 0.00 0.00 0.00 178.15 177.91 3hk9 h GLU 213 N 0.68 0.91 0.00 2.37 5.08 -1.05 0.34 114.58 122.90 3hk9 h GLU 213 Ca 0.09 -0.52 -0.17 0.00 -1.00 0.00 0.00 59.36 57.76 3hk9 h GLU 213 Cb 0.79 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 3hk9 h GLU 213 CO 0.07 1.16 -0.82 -0.09 -1.00 0.00 0.00 179.01 178.33 3hk9 h ARG 214 N 0.72 0.00 0.00 2.33 2.43 -1.16 -3.36 114.38 115.34 3hk9 h ARG 214 Ca 0.04 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.06 3hk9 h ARG 214 Cb 1.04 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.56 3hk9 h ARG 214 CO 0.10 0.82 -2.00 -1.33 -1.51 0.00 0.00 179.97 176.05 3hk9 n MET 215 N -3.51 0.89 -3.82 0.20 2.81 0.19 -5.01 117.12 108.87 3hk9 n MET 215 Ca -0.00 -0.09 -0.27 0.00 -1.81 0.00 0.00 57.70 55.53 3hk9 n MET 215 Cb 0.80 -1.44 0.01 0.00 -0.71 0.00 0.00 33.22 31.88 3hk9 n MET 215 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3hk9 n ASP 216 N -2.38 -2.14 -4.76 7.83 2.03 0.12 -4.54 116.55 112.71 3hk9 n ASP 216 Ca -0.16 -0.98 -0.38 0.00 0.52 0.00 0.00 54.79 53.80 3hk9 n ASP 216 Cb 0.77 -3.34 0.02 0.00 -0.72 0.00 0.00 41.12 37.85 3hk9 n ASP 216 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3hk9 s PRO 217 N -6.26 3.38 0.36 -0.67 0.04 -1.26 -4.64 135.00 125.96 3hk9 s PRO 217 Ca 0.16 2.01 0.24 0.00 0.04 0.00 0.00 61.00 63.45 3hk9 s PRO 217 Cb -0.06 -2.29 0.49 0.00 0.04 0.00 0.00 34.50 32.68 3hk9 s PRO 217 CO 0.87 -0.93 1.65 -0.39 0.04 0.00 0.00 177.00 178.24 3hk9 h VAL 218 N 1.57 0.00 -1.91 -0.36 -1.51 -1.58 -3.47 116.25 109.00 3hk9 h VAL 218 Ca -0.50 -0.83 0.17 0.00 -1.23 0.00 0.00 66.70 64.31 3hk9 h VAL 218 Cb 1.28 1.82 -0.17 0.00 -2.13 0.00 0.00 31.29 32.08 3hk9 h VAL 218 CO 0.58 0.00 0.63 -0.72 -1.23 0.00 0.00 177.57 176.83 3hk9 s TYR 219 N -3.18 -0.26 -0.09 5.19 -0.85 -1.26 -4.23 117.35 112.67 3hk9 s TYR 219 Ca 0.08 0.18 -0.05 0.00 -0.52 0.00 0.00 57.07 56.76 3hk9 s TYR 219 Cb 0.08 0.52 -0.04 0.00 0.38 0.00 0.00 41.96 42.90 3hk9 s TYR 219 CO 0.65 -0.39 0.13 -1.64 -1.52 0.00 0.00 175.55 172.78 3hk9 s MET 220 N -2.70 3.38 0.13 -3.49 -1.94 -0.56 -1.96 119.30 112.16 3hk9 s MET 220 Ca 0.06 -0.22 0.01 0.00 -1.71 0.00 0.00 55.69 53.83 3hk9 s MET 220 Cb -0.01 -3.12 -0.04 0.00 2.01 0.00 0.00 34.83 33.67 3hk9 s MET 220 CO -0.07 0.74 -0.01 0.00 -0.01 0.00 0.00 175.02 175.68 3hk9 s ALA 221 N -1.09 1.06 -0.11 3.03 0.00 0.59 0.51 121.76 125.74 3hk9 s ALA 221 Ca 0.18 -1.46 -0.30 0.00 0.00 0.00 0.00 51.96 50.38 3hk9 s ALA 221 Cb -0.12 0.48 0.09 0.00 0.00 0.00 0.00 23.12 23.57 3hk9 s ALA 221 CO 0.08 -0.34 0.78 0.54 0.00 0.00 0.00 175.76 176.82 3hk9 s VAL 222 N -3.76 0.00 -0.09 0.00 0.11 -0.84 -0.35 120.40 115.47 3hk9 s VAL 222 Ca 0.19 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 59.22 3hk9 s VAL 222 Cb 0.06 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.88 3hk9 s VAL 222 CO -0.00 0.00 -0.03 -0.94 -3.33 0.00 0.00 175.10 170.80 3hk9 s SER 223 N -0.92 4.99 0.21 3.54 1.04 -1.26 -1.63 113.70 119.67 3hk9 s SER 223 Ca -0.07 0.04 0.11 0.00 0.48 0.00 0.00 55.95 56.51 3hk9 s SER 223 Cb -0.01 -1.45 -0.05 0.00 0.10 0.00 0.00 66.02 64.62 3hk9 s SER 223 CO 0.06 0.33 -0.21 -0.76 0.98 0.00 0.00 173.24 173.65 3hk9 s LEU 224 N -0.61 2.49 0.79 2.42 1.43 0.39 -4.93 118.68 120.67 3hk9 s LEU 224 Ca 0.10 -0.93 -0.12 0.00 -1.03 0.00 0.00 54.13 52.15 3hk9 s LEU 224 Cb -0.12 -1.02 0.07 0.00 0.03 0.00 0.00 46.19 45.14 3hk9 s LEU 224 CO 0.02 0.03 1.13 -2.16 0.23 0.00 0.00 176.35 175.60 3hk9 s PRO 225 N -3.04 2.15 0.60 1.29 0.04 -1.25 -0.88 135.00 133.91 3hk9 s PRO 225 Ca 0.23 0.39 0.34 0.00 0.04 0.00 0.00 61.00 61.99 3hk9 s PRO 225 Cb -0.06 -1.95 1.92 0.00 0.04 0.00 0.00 34.50 34.46 3hk9 s PRO 225 CO 0.10 -1.52 2.25 -1.35 0.04 0.00 0.00 177.00 176.52 3hk9 h PRO 226 N -1.01 0.00 -0.07 0.56 0.11 -1.77 -1.86 132.00 127.96 3hk9 h PRO 226 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3hk9 h PRO 226 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3hk9 h PRO 226 CO 0.63 0.02 0.00 0.25 -0.21 0.00 0.00 178.00 178.69 3hk9 n THR 227 N -3.56 0.09 -1.63 -1.15 -2.24 -1.26 -4.04 114.28 100.50 3hk9 n THR 227 Ca -0.03 -0.16 -0.49 0.00 -2.27 0.00 0.00 64.05 61.10 3hk9 n THR 227 Cb 0.12 0.03 -0.05 0.00 -2.10 0.00 0.00 70.33 68.32 3hk9 n THR 227 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 3hk9 n PHE 228 N -0.27 1.87 -4.10 4.78 7.35 -0.70 -4.99 117.46 121.41 3hk9 n PHE 228 Ca 0.15 0.47 -0.10 0.00 -0.76 0.00 0.00 57.45 57.21 3hk9 n PHE 228 Cb 0.19 -2.43 -0.10 0.00 0.35 0.00 0.00 39.48 37.49 3hk9 n PHE 228 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 3hk9 s SER 229 N 0.80 0.79 -0.29 -2.13 0.01 -1.26 -4.70 113.70 106.93 3hk9 s SER 229 Ca 0.82 -0.83 -0.17 0.00 1.31 0.00 0.00 55.95 57.08 3hk9 s SER 229 Cb -0.83 0.11 0.13 0.00 0.21 0.00 0.00 66.02 65.64 3hk9 s SER 229 CO 0.43 -0.42 0.94 0.12 0.41 0.00 0.00 173.24 174.72 3hk9 s PHE 230 N -2.90 -0.64 1.02 2.43 2.19 -1.26 -4.55 117.98 114.26 3hk9 s PHE 230 Ca 0.02 1.30 -0.11 0.00 0.33 0.00 0.00 56.93 58.46 3hk9 s PHE 230 Cb 0.00 0.39 0.20 0.00 -1.31 0.00 0.00 43.02 42.30 3hk9 s PHE 230 CO -0.04 -0.32 1.09 -2.14 1.83 0.00 0.00 175.22 175.64 3hk9 s PRO 231 N 1.28 0.23 -0.28 10.12 0.02 -1.26 -4.15 135.00 140.96 3hk9 s PRO 231 Ca -0.08 1.23 -0.17 0.00 0.02 0.00 0.00 61.00 62.00 3hk9 s PRO 231 Cb -0.04 -1.66 0.12 0.00 0.02 0.00 0.00 34.50 32.94 3hk9 s PRO 231 CO -0.15 -3.06 0.87 -2.00 -0.33 0.00 0.00 177.00 172.33 3hk9 s GLU 232 N -4.58 0.53 -1.12 5.54 2.12 -1.26 -5.08 118.70 114.85 3hk9 s GLU 232 Ca 0.67 0.87 -0.19 0.00 0.36 0.00 0.00 54.97 56.68 3hk9 s GLU 232 Cb -0.23 0.13 0.09 0.00 0.26 0.00 0.00 34.13 34.38 3hk9 s GLU 232 CO 0.61 -0.10 1.48 -1.21 -0.54 0.00 0.00 175.26 175.49 3hk9 s GLU 233 N 1.27 3.79 0.27 4.30 0.41 -1.26 -4.05 118.70 123.43 3hk9 s GLU 233 Ca -0.08 -1.74 -0.16 0.00 -0.41 0.00 0.00 54.97 52.58 3hk9 s GLU 233 Cb -0.04 -5.28 0.01 0.00 -1.78 0.00 0.00 34.13 27.03 3hk9 s GLU 233 CO -0.15 -2.07 0.59 -1.54 -0.49 0.00 0.00 175.26 171.60 3hk9 s SER 234 N 4.16 -0.13 0.17 -0.19 1.04 -1.26 -5.00 113.70 112.49 3hk9 s SER 234 Ca 0.45 -0.82 -0.14 0.00 0.48 0.00 0.00 55.95 55.93 3hk9 s SER 234 Cb -0.00 0.66 0.09 0.00 0.10 0.00 0.00 66.02 66.87 3hk9 s SER 234 CO -0.03 -1.26 1.82 0.78 0.98 0.00 0.00 173.24 175.54 3hk9 h ASN 235 N 2.13 0.52 -0.35 7.02 2.35 -1.92 -1.13 115.58 124.21 3hk9 h ASN 235 Ca -0.23 -0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.54 3hk9 h ASN 235 Cb 1.25 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 39.48 3hk9 h ASN 235 CO 0.30 0.37 0.18 -0.09 -1.65 0.00 0.00 177.43 176.54 3hk9 h ARG 236 N 0.64 0.35 -0.81 0.81 2.43 -1.90 0.12 114.38 116.02 3hk9 h ARG 236 Ca 0.20 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.31 3hk9 h ARG 236 Cb -0.01 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.43 3hk9 h ARG 236 CO -0.08 0.23 0.34 0.78 -1.51 0.00 0.00 179.97 179.73 3hk9 h GLY 237 N 0.36 1.29 1.38 2.80 0.00 -1.62 -1.50 103.07 105.78 3hk9 h GLY 237 Ca 0.15 -0.69 -0.22 0.00 0.00 0.00 0.00 47.33 46.57 3hk9 h GLY 237 CO -0.10 0.65 -0.87 3.21 0.00 0.00 0.00 176.54 179.43 3hk9 h ARG 238 N 1.18 0.59 -0.48 4.80 3.08 -0.88 -2.25 114.38 120.41 3hk9 h ARG 238 Ca 0.27 -0.55 -0.12 0.00 0.07 0.00 0.00 59.98 59.66 3hk9 h ARG 238 Cb 0.19 0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 3hk9 h ARG 238 CO -0.03 1.17 -0.17 0.82 -1.07 0.00 0.00 179.97 180.69 3hk9 h ILE 239 N 0.37 1.27 -0.03 2.04 2.04 -0.65 0.59 117.51 123.14 3hk9 h ILE 239 Ca -0.07 -1.33 -0.00 0.00 1.00 0.00 0.00 64.86 64.46 3hk9 h ILE 239 Cb 1.49 1.11 -0.00 0.00 -0.74 0.00 0.00 36.82 38.68 3hk9 h ILE 239 CO 0.16 0.46 0.00 0.40 0.00 0.00 0.00 178.15 179.18 3hk9 h ILE 240 N 0.82 1.22 0.03 -0.67 2.04 -1.32 -0.13 117.51 119.50 3hk9 h ILE 240 Ca 0.11 -0.65 -0.00 0.00 1.00 0.00 0.00 64.86 65.32 3hk9 h ILE 240 Cb 0.74 1.60 0.00 0.00 -0.74 0.00 0.00 36.82 38.42 3hk9 h ILE 240 CO 0.06 0.17 -0.02 -0.09 0.00 0.00 0.00 178.15 178.28 3hk9 h ARG 241 N -0.21 -0.04 0.00 2.37 2.43 -1.35 -1.70 114.38 115.87 3hk9 h ARG 241 Ca 0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3hk9 h ARG 241 Cb 0.28 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 3hk9 h ARG 241 CO 0.00 0.20 -0.88 -0.25 -1.51 0.00 0.00 179.97 177.54 3hk9 n ASP 242 N -4.99 0.72 0.06 -3.80 8.00 0.19 -4.50 116.55 112.23 3hk9 n ASP 242 Ca -0.08 0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.54 3hk9 n ASP 242 Cb 0.15 0.44 0.00 0.00 -0.02 0.00 0.00 41.12 41.69 3hk9 n ASP 242 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hk9 h LEU 244 N 0.00 -1.31 -0.07 0.00 7.12 -1.12 -2.39 115.31 117.53 3hk9 h LEU 244 Ca 0.00 0.08 0.02 0.00 0.13 0.00 0.00 57.88 58.12 3hk9 h LEU 244 Cb 0.00 0.40 -0.02 0.00 -0.53 0.00 0.00 40.66 40.51 3hk9 h LEU 244 CO 0.00 -0.73 -0.05 -0.07 -0.13 0.00 0.00 178.44 177.45 3hk9 h LEU 245 N -1.15 -0.17 -0.47 2.25 3.38 -1.56 0.58 115.31 118.17 3hk9 h LEU 245 Ca -0.09 0.04 0.06 0.00 0.09 0.00 0.00 57.88 57.97 3hk9 h LEU 245 Cb 0.95 0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.73 3hk9 h LEU 245 CO 0.05 -0.08 0.17 -0.65 0.09 0.00 0.00 178.44 178.02 3hk9 h PRO 246 N -0.06 0.34 -0.08 1.13 0.11 -1.79 0.71 132.00 132.36 3hk9 h PRO 246 Ca 0.05 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.13 3hk9 h PRO 246 Cb 0.13 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.16 3hk9 h PRO 246 CO -0.11 0.23 0.02 0.28 -0.21 0.00 0.00 178.00 178.21 3hk9 h VAL 247 N 0.35 1.18 -0.93 3.15 2.07 -1.24 -1.57 116.25 119.27 3hk9 h VAL 247 Ca 0.22 -0.55 0.07 0.00 0.82 0.00 0.00 66.70 67.26 3hk9 h VAL 247 Cb 0.22 1.40 -0.06 0.00 -1.52 0.00 0.00 31.29 31.32 3hk9 h VAL 247 CO -0.22 0.16 0.60 0.00 0.02 0.00 0.00 177.57 178.13 3hk9 h ALA 248 N 0.82 1.50 -0.50 1.67 0.00 -0.56 -1.19 119.26 121.01 3hk9 h ALA 248 Ca 0.03 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 3hk9 h ALA 248 Cb 0.23 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3hk9 h ALA 248 CO -0.00 0.35 -0.15 1.49 0.00 0.00 0.00 179.25 180.94 3hk9 h GLU 249 N 1.05 0.98 -0.40 0.00 4.81 -0.68 0.59 114.58 120.93 3hk9 h GLU 249 Ca 0.41 -0.39 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 3hk9 h GLU 249 Cb 0.22 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 3hk9 h GLU 249 CO -0.16 1.06 0.21 -0.22 -0.73 0.00 0.00 179.01 179.17 3hk9 h LYS 250 N 0.83 0.57 -0.21 1.92 3.64 -0.42 -2.40 116.57 120.51 3hk9 h LYS 250 Ca 0.12 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3hk9 h LYS 250 Cb 0.72 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 3hk9 h LYS 250 CO 0.06 0.47 0.00 0.72 -2.27 0.00 0.00 179.45 178.43 3hk9 n HIS 251 N -4.71 0.27 -3.84 1.91 8.25 -0.53 -4.93 115.22 111.63 3hk9 n HIS 251 Ca 0.00 -0.13 -0.26 0.00 -0.26 0.00 0.00 57.72 57.06 3hk9 n HIS 251 Cb 0.09 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.22 3hk9 n HIS 251 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3hk9 n ASN 252 N 0.48 -2.85 -4.55 0.41 4.05 0.41 -4.97 115.26 108.23 3hk9 n ASN 252 Ca 0.16 -0.83 -0.34 0.00 0.45 0.00 0.00 54.58 54.03 3hk9 n ASN 252 Cb 0.36 -3.83 -0.11 0.00 1.23 0.00 0.00 39.78 37.42 3hk9 n ASN 252 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 3hk9 s ILE 253 N -3.51 3.99 0.62 -1.44 1.01 0.18 -4.82 121.20 117.23 3hk9 s ILE 253 Ca 0.34 -0.34 -0.17 0.00 0.00 0.00 0.00 60.65 60.48 3hk9 s ILE 253 Cb -0.17 -2.72 -0.02 0.00 0.01 0.00 0.00 42.46 39.56 3hk9 s ILE 253 CO 0.83 0.53 1.13 -2.84 0.00 0.00 0.00 174.94 174.59 3hk9 s PRO 254 N -0.05 2.94 -0.26 2.79 0.02 -1.26 -4.54 135.00 134.64 3hk9 s PRO 254 Ca 0.02 1.50 -0.05 0.00 0.02 0.00 0.00 61.00 62.49 3hk9 s PRO 254 Cb -0.13 -1.96 0.00 0.00 0.02 0.00 0.00 34.50 32.43 3hk9 s PRO 254 CO 0.02 -1.15 0.02 0.12 -0.33 0.00 0.00 177.00 175.68 3hk9 s PHE 255 N -2.11 3.07 -0.18 6.54 5.36 -0.20 -1.49 117.98 128.97 3hk9 s PHE 255 Ca 0.70 -0.98 -0.14 0.00 -0.96 0.00 0.00 56.93 55.54 3hk9 s PHE 255 Cb -0.22 -2.18 -0.04 0.00 -0.34 0.00 0.00 43.02 40.23 3hk9 s PHE 255 CO 0.37 -0.56 0.31 0.00 -1.46 0.00 0.00 175.22 173.87 3hk9 s ALA 256 N 1.48 3.58 -0.16 11.12 0.00 0.18 -1.38 121.76 136.58 3hk9 s ALA 256 Ca 0.04 -0.50 0.01 0.00 0.00 0.00 0.00 51.96 51.51 3hk9 s ALA 256 Cb -0.16 -2.44 0.02 0.00 0.00 0.00 0.00 23.12 20.54 3hk9 s ALA 256 CO -0.00 -0.02 -0.18 -1.64 0.00 0.00 0.00 175.76 173.92 3hk9 s MET 257 N 0.70 2.71 -0.44 0.00 1.00 0.64 -1.98 119.30 121.93 3hk9 s MET 257 Ca 0.16 -0.72 -0.04 0.00 0.00 0.00 0.00 55.69 55.09 3hk9 s MET 257 Cb -0.13 -2.37 0.12 0.00 0.00 0.00 0.00 34.83 32.44 3hk9 s MET 257 CO 0.05 -0.21 0.25 -1.64 0.00 0.00 0.00 175.02 173.47 3hk9 s MET 258 N 1.33 2.14 -0.09 2.03 -1.94 -0.65 -2.16 119.30 119.97 3hk9 s MET 258 Ca 0.04 -1.88 -0.07 0.00 -1.71 0.00 0.00 55.69 52.07 3hk9 s MET 258 Cb -0.13 -3.66 -0.04 0.00 2.01 0.00 0.00 34.83 33.01 3hk9 s MET 258 CO -0.11 -1.10 0.18 0.42 -0.01 0.00 0.00 175.02 174.39 3hk9 s ILE 259 N 1.07 5.44 0.00 2.53 1.01 -0.72 -0.46 121.20 130.07 3hk9 s ILE 259 Ca 0.09 0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.96 3hk9 s ILE 259 Cb -0.23 -3.46 0.00 0.00 0.01 0.00 0.00 42.46 38.78 3hk9 s ILE 259 CO -0.04 0.56 0.00 0.61 0.00 0.00 0.00 174.94 176.08 3hk9 n GLY 260 N 1.78 1.24 3.72 6.18 0.00 -0.06 -0.42 105.19 117.63 3hk9 n GLY 260 Ca -0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 3hk9 n GLY 260 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hk9 s VAL 261 N -2.00 4.88 -0.46 1.61 0.11 -1.01 -1.55 120.40 121.98 3hk9 s VAL 261 Ca 0.00 1.82 -0.07 0.00 -2.93 0.00 0.00 61.98 60.79 3hk9 s VAL 261 Cb 0.00 -4.21 0.12 0.00 -1.53 0.00 0.00 36.38 30.76 3hk9 s VAL 261 CO 0.00 0.23 0.31 -0.75 -3.33 0.00 0.00 175.10 171.56 3hk9 s LYS 262 N 0.73 2.35 0.39 1.54 2.20 0.15 -3.94 119.74 123.16 3hk9 s LYS 262 Ca 0.45 -1.81 -0.25 0.00 -0.36 0.00 0.00 55.97 54.00 3hk9 s LYS 262 Cb -0.20 -3.82 -0.09 0.00 -1.51 0.00 0.00 37.83 32.21 3hk9 s LYS 262 CO 0.24 -1.16 1.17 0.15 -0.36 0.00 0.00 175.35 175.40 3hk9 s LYS 263 N 1.24 4.09 -1.41 4.03 1.02 -1.26 0.56 119.74 128.01 3hk9 s LYS 263 Ca 0.07 1.85 -0.04 0.00 0.02 0.00 0.00 55.97 57.87 3hk9 s LYS 263 Cb -0.25 -2.71 0.03 0.00 -0.52 0.00 0.00 37.83 34.38 3hk9 s LYS 263 CO -0.02 -0.29 0.66 0.54 -0.92 0.00 0.00 175.35 175.31 3hk9 n ARG 264 N 0.14 -4.33 0.21 1.68 1.74 -1.23 -4.87 116.66 110.01 3hk9 n ARG 264 Ca 0.04 0.52 0.08 0.00 -0.77 0.00 0.00 57.85 57.73 3hk9 n ARG 264 Cb 0.46 -5.00 0.45 0.00 -1.02 0.00 0.00 32.46 27.35 3hk9 n ARG 264 CO 0.00 0.00 0.00 -0.39 -1.52 0.00 0.00 177.63 175.72 3hk9 h VAL 265 N -1.87 0.70 -2.43 1.55 -1.51 -1.16 -3.27 116.25 108.25 3hk9 h VAL 265 Ca -0.61 -1.19 -0.59 0.00 -1.23 0.00 0.00 66.70 63.08 3hk9 h VAL 265 Cb 1.37 1.76 -0.40 0.00 -2.13 0.00 0.00 31.29 31.89 3hk9 h VAL 265 CO 0.62 0.26 -0.86 1.57 -1.23 0.00 0.00 177.57 177.93 3hk9 n HIS 266 N -3.50 0.80 -0.33 5.19 -0.00 -1.01 -5.00 115.22 111.36 3hk9 n HIS 266 Ca -0.00 -3.72 0.19 0.00 -0.00 0.00 0.00 57.72 54.19 3hk9 n HIS 266 Cb 0.43 -0.19 0.41 0.00 -0.00 0.00 0.00 29.99 30.64 3hk9 n HIS 266 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 3hk9 h PRO 267 N 5.01 0.43 -0.15 1.57 0.13 -1.83 -0.60 132.00 136.57 3hk9 h PRO 267 Ca 0.19 -0.03 0.04 0.00 -0.87 0.00 0.00 66.00 65.33 3hk9 h PRO 267 Cb 0.83 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 31.86 3hk9 h PRO 267 CO 0.54 0.29 0.24 0.00 -0.23 0.00 0.00 178.00 178.83 3hk9 h ALA 268 N 1.78 1.63 -0.00 -0.56 0.00 -1.94 -0.40 119.26 119.76 3hk9 h ALA 268 Ca 0.67 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.57 3hk9 h ALA 268 Cb 1.38 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.18 3hk9 h ALA 268 CO -0.54 -0.31 -0.05 1.28 0.00 0.00 0.00 179.25 179.63 3hk9 n LEU 269 N -3.49 0.37 0.00 0.00 4.77 -0.23 -4.94 117.00 113.48 3hk9 n LEU 269 Ca 0.01 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 3hk9 n LEU 269 Cb 0.34 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 3hk9 n LEU 269 CO 0.23 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 3hk9 n GLY 270 N 1.19 3.12 0.12 -0.72 0.00 -0.16 -1.78 105.19 106.96 3hk9 n GLY 270 Ca 0.18 -0.22 0.09 0.00 0.00 0.00 0.00 46.02 46.07 3hk9 n GLY 270 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hk9 n ASP 271 N 4.51 0.47 -0.75 1.61 8.00 -1.26 -1.11 116.55 128.01 3hk9 n ASP 271 Ca 0.00 0.68 0.10 0.00 0.71 0.00 0.00 54.79 56.28 3hk9 n ASP 271 Cb 0.00 -0.75 0.29 0.00 -0.02 0.00 0.00 41.12 40.64 3hk9 n ASP 271 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hk9 n ALA 272 N -1.71 2.47 -0.45 2.24 0.00 -0.73 -4.31 120.51 118.02 3hk9 n ALA 272 Ca 0.00 -0.69 0.11 0.00 0.00 0.00 0.00 53.44 52.87 3hk9 n ALA 272 Cb 0.09 -1.01 0.34 0.00 0.00 0.00 0.00 19.45 18.87 3hk9 n ALA 272 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hk9 n GLY 273 N 1.23 2.57 3.85 0.00 0.00 -0.27 -4.84 105.19 107.73 3hk9 n GLY 273 Ca 0.16 -0.83 -0.33 0.00 0.00 0.00 0.00 46.02 45.02 3hk9 n GLY 273 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hk9 s ASP 274 N -0.97 6.78 0.04 1.61 1.01 -1.26 -0.84 116.67 123.04 3hk9 s ASP 274 Ca 0.51 1.13 0.00 0.00 0.71 0.00 0.00 52.55 54.90 3hk9 s ASP 274 Cb 0.28 -2.31 0.00 0.00 1.01 0.00 0.00 42.92 41.90 3hk9 s ASP 274 CO 0.31 -0.05 0.01 0.33 0.21 0.00 0.00 175.17 175.98 3hk9 n PHE 275 N 0.15 -0.56 -4.11 4.23 7.35 0.19 -4.91 117.46 119.80 3hk9 n PHE 275 Ca -0.00 -0.19 -0.11 0.00 -0.76 0.00 0.00 57.45 56.39 3hk9 n PHE 275 Cb 0.52 -0.03 -0.11 0.00 0.35 0.00 0.00 39.48 40.22 3hk9 n PHE 275 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 3hk9 s VAL 276 N -0.74 0.57 -0.08 -2.13 0.11 -1.26 -0.67 120.40 116.20 3hk9 s VAL 276 Ca 0.01 -1.54 -0.23 0.00 -2.93 0.00 0.00 61.98 57.29 3hk9 s VAL 276 Cb -0.00 -1.18 0.05 0.00 -1.53 0.00 0.00 36.38 33.72 3hk9 s VAL 276 CO 0.01 -0.67 0.52 -0.83 -3.33 0.00 0.00 175.10 170.80 3hk9 s GLY 277 N -2.38 -0.39 0.23 6.54 0.00 -0.60 -4.83 107.32 105.88 3hk9 s GLY 277 Ca 0.02 1.04 -0.30 0.00 0.00 0.00 0.00 44.72 45.48 3hk9 s GLY 277 CO -0.03 0.77 1.16 1.25 0.00 0.00 0.00 173.10 176.25 3hk9 s LYS 278 N -0.87 4.54 0.30 2.90 2.20 -1.26 -4.46 119.74 123.08 3hk9 s LYS 278 Ca -0.09 1.87 0.08 0.00 -0.36 0.00 0.00 55.97 57.46 3hk9 s LYS 278 Cb -0.03 -3.21 -0.04 0.00 -1.51 0.00 0.00 37.83 33.05 3hk9 s LYS 278 CO 0.06 0.02 0.16 0.00 -0.36 0.00 0.00 175.35 175.23 3hk9 s ALA 279 N -0.55 3.54 0.42 3.13 0.00 -1.26 -4.78 121.76 122.26 3hk9 s ALA 279 Ca 0.49 -1.63 -0.17 0.00 0.00 0.00 0.00 51.96 50.65 3hk9 s ALA 279 Cb -0.33 -1.01 -0.09 0.00 0.00 0.00 0.00 23.12 21.69 3hk9 s ALA 279 CO 0.39 0.14 0.88 0.45 0.00 0.00 0.00 175.76 177.63 3hk9 s SER 280 N -3.84 6.77 0.00 0.00 0.15 -1.26 -4.97 113.70 110.54 3hk9 s SER 280 Ca 0.36 1.48 0.24 0.00 0.70 0.00 0.00 55.95 58.73 3hk9 s SER 280 Cb -0.06 -2.46 0.35 0.00 -1.71 0.00 0.00 66.02 62.14 3hk9 s SER 280 CO 0.24 -0.38 1.30 0.23 1.20 0.00 0.00 173.24 175.83 3hk9 n MET 281 N -0.89 0.21 -0.18 5.44 2.81 -1.26 -4.47 117.12 118.78 3hk9 n MET 281 Ca 0.05 -0.14 -0.01 0.00 -1.81 0.00 0.00 57.70 55.79 3hk9 n MET 281 Cb 0.54 -1.50 0.07 0.00 -0.71 0.00 0.00 33.22 31.62 3hk9 n MET 281 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 3hk9 h ASP 282 N 0.34 -0.31 -0.52 7.83 3.32 -1.93 0.11 116.42 125.26 3hk9 h ASP 282 Ca 0.00 0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3hk9 h ASP 282 Cb 0.52 0.27 -0.03 0.00 0.22 0.00 0.00 39.33 40.31 3hk9 h ASP 282 CO 0.00 -0.12 0.34 1.23 -1.72 0.00 0.00 179.24 178.98 3hk9 h GLY 283 N 0.08 0.73 0.99 2.75 0.00 -1.78 0.19 103.07 106.02 3hk9 h GLY 283 Ca 0.28 -0.27 -0.09 0.00 0.00 0.00 0.00 47.33 47.25 3hk9 h GLY 283 CO -0.49 0.27 -0.07 -2.08 0.00 0.00 0.00 176.54 174.17 3hk9 h VAL 284 N 0.70 1.27 0.02 4.60 2.07 -1.71 -1.67 116.25 121.54 3hk9 h VAL 284 Ca 0.19 -1.15 0.01 0.00 0.82 0.00 0.00 66.70 66.57 3hk9 h VAL 284 Cb -0.08 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 3hk9 h VAL 284 CO -0.04 0.39 -0.07 -0.08 0.02 0.00 0.00 177.57 177.79 3hk9 h GLU 285 N 0.62 -0.13 -0.55 1.57 4.81 -0.46 -1.42 114.58 119.03 3hk9 h GLU 285 Ca 0.11 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.39 3hk9 h GLU 285 Cb 0.59 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.95 3hk9 h GLU 285 CO 0.04 -0.09 0.30 1.25 -0.73 0.00 0.00 179.01 179.78 3hk9 h HIS 286 N -0.13 0.56 -0.42 0.92 2.76 -0.53 -1.75 115.15 116.56 3hk9 h HIS 286 Ca 0.02 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 3hk9 h HIS 286 Cb 0.16 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 28.92 3hk9 h HIS 286 CO -0.13 0.29 0.28 -0.07 -1.30 0.00 0.00 177.93 177.00 3hk9 h LEU 287 N 0.59 0.48 -0.22 0.26 3.38 -1.04 -0.02 115.31 118.74 3hk9 h LEU 287 Ca 0.24 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 3hk9 h LEU 287 Cb 0.10 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3hk9 h LEU 287 CO -0.14 0.35 0.08 -0.07 0.09 0.00 0.00 178.44 178.75 3hk9 h LEU 288 N 0.57 0.32 -0.25 1.67 3.38 -0.96 -1.80 115.31 118.23 3hk9 h LEU 288 Ca 0.15 -0.19 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 3hk9 h LEU 288 Cb -0.06 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 3hk9 h LEU 288 CO -0.03 0.42 -0.26 -0.09 0.09 0.00 0.00 178.44 178.57 3hk9 h ARG 289 N 0.20 0.62 0.00 1.13 2.43 -1.24 -3.29 114.38 114.23 3hk9 h ARG 289 Ca 0.07 -0.33 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 3hk9 h ARG 289 Cb 0.21 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 3hk9 h ARG 289 CO -0.00 0.93 -0.07 0.39 -1.51 0.00 0.00 179.97 179.71 3hk9 n GLU 290 N -4.33 0.23 -3.14 0.20 -0.58 -0.03 -4.18 120.64 108.81 3hk9 n GLU 290 Ca -0.04 0.17 -0.24 0.00 -0.42 0.00 0.00 57.16 56.63 3hk9 n GLU 290 Cb 0.45 -1.75 -0.05 0.00 -0.57 0.00 0.00 31.44 29.52 3hk9 n GLU 290 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 3hk9 n TYR 291 N -2.14 2.09 0.28 -0.32 4.01 -0.68 -4.92 117.16 115.48 3hk9 n TYR 291 Ca 0.06 -3.90 0.18 0.00 -0.16 0.00 0.00 57.90 54.08 3hk9 n TYR 291 Cb 0.42 -0.46 0.99 0.00 -0.31 0.00 0.00 39.34 39.98 3hk9 n TYR 291 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3hk9 h PRO 292 N 3.34 0.00 -0.07 -0.72 0.13 -1.73 -1.28 132.00 131.68 3hk9 h PRO 292 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3hk9 h PRO 292 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 3hk9 h PRO 292 CO 0.67 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.53 3hk9 n ASN 293 N -2.80 2.12 -4.73 1.44 5.03 -1.26 -4.88 115.26 110.19 3hk9 n ASN 293 Ca -0.02 -1.71 -0.32 0.00 0.87 0.00 0.00 54.58 53.39 3hk9 n ASN 293 Cb 0.09 -0.03 -0.08 0.00 -1.02 0.00 0.00 39.78 38.74 3hk9 n ASN 293 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 3hk9 s ASN 294 N -1.90 5.34 -0.12 6.41 -0.87 -0.48 -4.81 114.94 118.51 3hk9 s ASN 294 Ca 0.34 0.02 -0.06 0.00 -1.57 0.00 0.00 52.86 51.59 3hk9 s ASN 294 Cb 0.20 -1.43 -0.04 0.00 -0.02 0.00 0.00 41.25 39.97 3hk9 s ASN 294 CO 0.31 0.25 0.11 -0.54 -2.57 0.00 0.00 177.10 174.66 3hk9 s LYS 295 N -1.84 3.38 -0.08 -0.60 1.02 -1.26 -4.85 119.74 115.50 3hk9 s LYS 295 Ca 0.23 -0.18 0.02 0.00 0.02 0.00 0.00 55.97 56.05 3hk9 s LYS 295 Cb -0.12 -3.12 0.02 0.00 -0.52 0.00 0.00 37.83 34.08 3hk9 s LYS 295 CO 0.14 0.75 -0.12 -0.06 -0.92 0.00 0.00 175.35 175.14 3hk9 s PHE 296 N -0.97 1.58 -0.25 3.18 0.08 -0.02 -1.04 117.98 120.54 3hk9 s PHE 296 Ca 0.14 -0.65 -0.07 0.00 0.12 0.00 0.00 56.93 56.48 3hk9 s PHE 296 Cb -0.12 -1.18 -0.02 0.00 -0.57 0.00 0.00 43.02 41.14 3hk9 s PHE 296 CO 0.04 -0.36 0.05 -0.51 -0.10 0.00 0.00 175.22 174.34 3hk9 s LEU 297 N 0.89 3.43 0.02 -0.37 1.43 -0.48 -0.60 118.68 123.00 3hk9 s LEU 297 Ca -0.10 -0.34 0.05 0.00 -1.03 0.00 0.00 54.13 52.72 3hk9 s LEU 297 Cb -0.15 -1.88 -0.02 0.00 0.03 0.00 0.00 46.19 44.17 3hk9 s LEU 297 CO 0.01 -0.06 -0.16 -0.69 0.23 0.00 0.00 176.35 175.68 3hk9 s VAL 298 N 1.57 1.26 -0.06 -1.59 1.01 -0.70 -0.26 120.40 121.64 3hk9 s VAL 298 Ca 0.06 -0.90 -0.05 0.00 0.00 0.00 0.00 61.98 61.08 3hk9 s VAL 298 Cb -0.15 -1.10 0.02 0.00 0.00 0.00 0.00 36.38 35.15 3hk9 s VAL 298 CO 0.02 0.18 0.15 0.28 0.00 0.00 0.00 175.10 175.73 3hk9 s THR 299 N -0.64 -0.00 0.16 3.92 -1.32 -0.92 -1.74 115.64 115.09 3hk9 s THR 299 Ca 0.05 0.01 0.11 0.00 -1.21 0.00 0.00 61.69 60.64 3hk9 s THR 299 Cb -0.07 -0.22 -0.04 0.00 -1.51 0.00 0.00 72.50 70.66 3hk9 s THR 299 CO 0.01 0.00 -0.25 -0.04 -2.21 0.00 0.00 174.62 172.13 3hk9 s MET 300 N 0.13 1.42 0.06 7.08 -1.94 -1.26 -1.76 119.30 123.03 3hk9 s MET 300 Ca -0.00 -1.41 0.12 0.00 -1.71 0.00 0.00 55.69 52.68 3hk9 s MET 300 Cb -0.02 -1.82 -0.18 0.00 2.01 0.00 0.00 34.83 34.83 3hk9 s MET 300 CO -0.00 0.41 0.95 1.25 -0.01 0.00 0.00 175.02 177.62 3hk9 h LEU 301 N 3.58 0.00 -9.63 -0.03 5.85 -1.05 -3.42 115.31 110.61 3hk9 h LEU 301 Ca -0.48 0.00 -0.53 0.00 0.84 0.00 0.00 57.88 57.70 3hk9 h LEU 301 Cb 1.19 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.19 3hk9 h LEU 301 CO 0.43 0.88 0.18 -0.55 -0.34 0.00 0.00 178.44 179.04 3hk9 s SER 302 N -6.26 7.32 0.30 1.25 0.15 -1.26 -4.60 113.70 110.60 3hk9 s SER 302 Ca -0.02 1.57 -0.01 0.00 0.70 0.00 0.00 55.95 58.19 3hk9 s SER 302 Cb 0.09 -2.49 0.47 0.00 -1.71 0.00 0.00 66.02 62.37 3hk9 s SER 302 CO 0.81 0.11 1.94 -0.09 1.20 0.00 0.00 173.24 177.21 3hk9 h ARG 303 N 4.98 1.07 0.00 5.44 2.43 -1.95 -2.36 114.38 123.98 3hk9 h ARG 303 Ca -0.45 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.65 3hk9 h ARG 303 Cb 1.21 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 30.51 3hk9 h ARG 303 CO 0.68 0.71 0.00 0.39 -1.51 0.00 0.00 179.97 180.24 3hk9 n GLU 304 N -4.44 0.45 -0.01 0.20 4.71 -1.26 -2.53 120.64 117.76 3hk9 n GLU 304 Ca 0.12 0.04 0.09 0.00 -0.01 0.00 0.00 57.16 57.40 3hk9 n GLU 304 Cb 0.10 -1.50 -0.12 0.00 -1.01 0.00 0.00 31.44 28.91 3hk9 n GLU 304 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3hk9 n ASN 305 N -1.10 0.87 -0.22 1.62 5.03 -0.89 -4.69 115.26 115.88 3hk9 n ASN 305 Ca 0.12 -0.34 -0.02 0.00 0.87 0.00 0.00 54.58 55.21 3hk9 n ASN 305 Cb 0.09 1.51 0.09 0.00 -1.02 0.00 0.00 39.78 40.45 3hk9 n ASN 305 CO 0.00 0.00 0.00 1.56 -1.83 0.00 0.00 177.26 176.99 3hk9 h GLN 306 N 0.00 0.63 0.07 3.52 1.08 -1.55 -1.82 115.11 117.04 3hk9 h GLN 306 Ca 0.00 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.16 3hk9 h GLN 306 Cb 0.66 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.95 3hk9 h GLN 306 CO 0.00 0.42 -0.03 1.25 -0.95 0.00 0.00 178.83 179.51 3hk9 h HIS 307 N 0.65 -0.09 0.00 2.96 2.76 -1.84 -2.78 115.15 116.82 3hk9 h HIS 307 Ca 0.29 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.44 3hk9 h HIS 307 Cb 0.19 0.03 -0.00 0.00 1.55 0.00 0.00 27.41 29.18 3hk9 h HIS 307 CO -0.09 0.34 -0.09 1.05 -1.30 0.00 0.00 177.93 177.84 3hk9 h GLU 308 N -0.54 0.00 -0.48 5.26 4.11 -1.85 -0.82 114.58 120.25 3hk9 h GLU 308 Ca -0.01 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.30 3hk9 h GLU 308 Cb 0.47 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 3hk9 h GLU 308 CO 0.02 0.09 -0.17 1.25 0.07 0.00 0.00 179.01 180.27 3hk9 h LEU 309 N 0.00 0.96 -0.71 3.06 5.85 -1.27 0.18 115.31 123.39 3hk9 h LEU 309 Ca -0.00 -0.34 -0.06 0.00 0.84 0.00 0.00 57.88 58.32 3hk9 h LEU 309 Cb 0.22 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 3hk9 h LEU 309 CO 0.01 1.11 0.21 0.58 -0.34 0.00 0.00 178.44 180.01 3hk9 h VAL 310 N 0.83 1.26 -0.49 1.05 2.07 -0.89 -1.40 116.25 118.68 3hk9 h VAL 310 Ca 0.12 -0.92 -0.09 0.00 0.82 0.00 0.00 66.70 66.63 3hk9 h VAL 310 Cb 0.73 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 3hk9 h VAL 310 CO 0.06 0.36 -0.07 0.58 0.02 0.00 0.00 177.57 178.51 3hk9 h VAL 311 N 1.05 1.26 -0.32 2.57 2.07 -1.00 -2.44 116.25 119.43 3hk9 h VAL 311 Ca 0.23 -1.15 -0.06 0.00 0.82 0.00 0.00 66.70 66.53 3hk9 h VAL 311 Cb 0.33 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 3hk9 h VAL 311 CO -0.00 0.40 -0.06 0.25 0.02 0.00 0.00 177.57 178.18 3hk9 h LEU 312 N 0.79 0.49 -1.46 2.57 5.85 -0.57 -1.51 115.31 121.48 3hk9 h LEU 312 Ca 0.14 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.69 3hk9 h LEU 312 Cb 0.57 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 3hk9 h LEU 312 CO 0.03 0.61 -0.27 0.00 -0.34 0.00 0.00 178.44 178.47 3hk9 h ALA 313 N 1.45 1.42 0.00 1.25 0.00 -0.82 -1.48 119.26 121.08 3hk9 h ALA 313 Ca 0.10 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 3hk9 h ALA 313 Cb 0.41 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3hk9 h ALA 313 CO 0.02 0.34 -0.51 0.00 0.00 0.00 0.00 179.25 179.11 3hk9 h ARG 314 N 0.00 0.00 0.05 0.00 3.08 -0.85 -3.23 114.38 113.43 3hk9 h ARG 314 Ca -0.00 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.81 3hk9 h ARG 314 Cb 0.52 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 3hk9 h ARG 314 CO 0.04 0.51 -1.08 0.87 -1.07 0.00 0.00 179.97 179.23 3hk9 h LYS 315 N 0.00 0.13 -4.21 0.04 1.79 -1.00 -3.45 116.57 109.87 3hk9 h LYS 315 Ca -0.01 -0.21 -0.49 0.00 -2.18 0.00 0.00 60.65 57.76 3hk9 h LYS 315 Cb 0.95 0.08 -0.36 0.00 -1.58 0.00 0.00 32.23 31.33 3hk9 h LYS 315 CO 0.07 1.08 -0.80 -0.06 -1.08 0.00 0.00 179.45 178.66 3hk9 s PHE 316 N -2.75 1.24 -0.78 -1.35 0.08 -0.88 -5.00 117.98 108.53 3hk9 s PHE 316 Ca -0.01 -0.51 0.25 0.00 0.12 0.00 0.00 56.93 56.78 3hk9 s PHE 316 Cb 0.09 -1.03 0.93 0.00 -0.57 0.00 0.00 43.02 42.44 3hk9 s PHE 316 CO 0.85 -0.37 1.78 -1.13 -0.10 0.00 0.00 175.22 176.25 3hk9 n SER 317 N 4.49 0.50 -0.49 1.36 3.41 -1.26 -2.54 113.62 119.10 3hk9 n SER 317 Ca -0.17 0.57 0.07 0.00 -0.26 0.00 0.00 58.87 59.08 3hk9 n SER 317 Cb 0.51 -0.69 0.26 0.00 -0.26 0.00 0.00 64.21 64.02 3hk9 n SER 317 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3hk9 n ASN 318 N -1.99 1.43 -4.45 4.04 6.94 -1.26 -4.73 115.26 115.24 3hk9 n ASN 318 Ca 0.05 -1.84 -0.35 0.00 -0.02 0.00 0.00 54.58 52.43 3hk9 n ASN 318 Cb 0.35 -0.14 -0.13 0.00 -2.36 0.00 0.00 39.78 37.50 3hk9 n ASN 318 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 3hk9 s LEU 319 N -1.26 3.24 -0.21 -4.53 2.96 -1.05 -0.84 118.68 116.98 3hk9 s LEU 319 Ca 0.25 -0.20 0.01 0.00 -0.22 0.00 0.00 54.13 53.97 3hk9 s LEU 319 Cb 0.13 -1.82 0.05 0.00 0.50 0.00 0.00 46.19 45.05 3hk9 s LEU 319 CO 0.19 0.07 -0.10 -0.32 -1.32 0.00 0.00 176.35 174.86 3hk9 s MET 320 N 0.94 2.08 0.18 1.98 -2.45 0.23 -4.92 119.30 117.34 3hk9 s MET 320 Ca 0.01 -0.95 -0.13 0.00 -1.25 0.00 0.00 55.69 53.37 3hk9 s MET 320 Cb -0.14 -2.53 -0.07 0.00 1.25 0.00 0.00 34.83 33.33 3hk9 s MET 320 CO 0.02 -0.46 0.56 0.96 1.05 0.00 0.00 175.02 177.14 3hk9 s ILE 321 N 1.34 4.87 0.00 10.11 -4.36 -1.26 -1.72 121.20 130.18 3hk9 s ILE 321 Ca -0.03 0.73 -0.05 0.00 -0.26 0.00 0.00 60.65 61.04 3hk9 s ILE 321 Cb -0.17 -3.70 -0.00 0.00 1.25 0.00 0.00 42.46 39.84 3hk9 s ILE 321 CO -0.08 0.14 0.10 0.72 0.24 0.00 0.00 174.94 176.06 3hk9 s PHE 322 N -1.58 0.08 0.31 1.37 -0.12 -0.71 -1.91 117.98 115.41 3hk9 s PHE 322 Ca 0.41 -0.20 0.00 0.00 -0.05 0.00 0.00 56.93 57.09 3hk9 s PHE 322 Cb -0.14 -0.08 0.00 0.00 -0.63 0.00 0.00 43.02 42.18 3hk9 s PHE 322 CO 0.20 -0.25 0.00 0.41 -0.05 0.00 0.00 175.22 175.53 3hk9 n GLY 323 N 1.60 -1.66 2.94 1.99 0.00 0.06 -4.44 105.19 105.67 3hk9 n GLY 323 Ca -0.22 -0.77 -0.30 0.00 0.00 0.00 0.00 46.02 44.72 3hk9 n GLY 323 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hk9 s TRP 325 N -0.04 3.23 0.00 0.00 -0.00 -1.26 -3.05 118.94 117.82 3hk9 s TRP 325 Ca 0.16 1.17 0.00 0.00 -0.00 0.00 0.00 56.10 57.44 3hk9 s TRP 325 Cb -0.25 -3.47 0.00 0.00 -0.00 0.00 0.00 33.47 29.75 3hk9 s TRP 325 CO -0.01 -1.52 0.00 1.87 -0.00 0.00 0.00 176.95 177.29 3hk9 n TRP 326 N 4.69 0.00 0.44 5.86 -0.00 -1.26 -0.49 117.44 126.68 3hk9 n TRP 326 Ca 0.11 0.00 0.05 0.00 -0.00 0.00 0.00 57.50 57.66 3hk9 n TRP 326 Cb 0.46 0.00 0.26 0.00 -0.00 0.00 0.00 31.31 32.02 3hk9 n TRP 326 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 177.69 178.88 3hk9 n PHE 327 N 0.00 0.00 0.25 5.87 3.72 -1.26 -0.92 117.46 125.12 3hk9 n PHE 327 Ca 0.00 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.51 3hk9 n PHE 327 Cb 0.00 -0.43 -0.01 0.00 -0.94 0.00 0.00 39.48 38.10 3hk9 n PHE 327 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 3hk9 n MET 328 N -1.43 0.50 -0.82 -1.08 2.81 0.36 -4.55 117.12 112.91 3hk9 n MET 328 Ca 0.04 0.03 -0.13 0.00 -1.81 0.00 0.00 57.70 55.82 3hk9 n MET 328 Cb 0.12 -1.70 -0.11 0.00 -0.71 0.00 0.00 33.22 30.82 3hk9 n MET 328 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 3hk9 n ASN 329 N -2.36 4.56 -4.06 7.83 5.15 -0.10 -3.57 115.26 122.72 3hk9 n ASN 329 Ca 0.00 -2.29 -0.22 0.00 -0.60 0.00 0.00 54.58 51.47 3hk9 n ASN 329 Cb 0.51 -1.14 -0.15 0.00 -0.53 0.00 0.00 39.78 38.47 3hk9 n ASN 329 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 3hk9 s ASN 330 N 2.33 1.53 0.20 1.20 0.01 -1.26 -4.99 114.94 113.96 3hk9 s ASN 330 Ca 0.52 -0.24 -0.10 0.00 -0.71 0.00 0.00 52.86 52.33 3hk9 s ASN 330 Cb 0.23 -0.32 0.27 0.00 0.41 0.00 0.00 41.25 41.84 3hk9 s ASN 330 CO -0.01 0.12 1.20 -2.65 -1.51 0.00 0.00 177.10 174.26 3hk9 n PRO 331 N 3.06 -0.13 -0.34 -0.60 -0.02 -1.26 -0.62 135.00 135.09 3hk9 n PRO 331 Ca -0.17 1.20 -0.02 0.00 -2.02 0.00 0.00 63.50 62.49 3hk9 n PRO 331 Cb 0.54 -1.79 0.10 0.00 -0.02 0.00 0.00 33.50 32.34 3hk9 n PRO 331 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3hk9 h GLU 332 N 0.00 1.17 0.01 -0.52 4.57 -1.97 -1.66 114.58 116.18 3hk9 h GLU 332 Ca 0.32 -0.07 -0.09 0.00 -1.18 0.00 0.00 59.36 58.34 3hk9 h GLU 332 Cb 0.51 -0.26 0.01 0.00 -0.16 0.00 0.00 28.75 28.85 3hk9 h GLU 332 CO -0.78 0.77 -0.37 0.82 -1.18 0.00 0.00 179.01 178.27 3hk9 h ILE 333 N 1.21 1.53 -0.72 2.32 1.08 -1.11 -3.04 117.51 118.77 3hk9 h ILE 333 Ca 0.34 -2.04 0.12 0.00 -0.39 0.00 0.00 64.86 62.89 3hk9 h ILE 333 Cb -0.09 2.78 -0.08 0.00 -3.07 0.00 0.00 36.82 36.36 3hk9 h ILE 333 CO -0.09 0.57 0.31 0.40 -0.69 0.00 0.00 178.15 178.65 3hk9 h ILE 334 N -0.41 0.73 0.11 -0.67 2.04 -0.84 0.47 117.51 118.94 3hk9 h ILE 334 Ca -0.05 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 3hk9 h ILE 334 Cb 1.13 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 3hk9 h ILE 334 CO 0.07 0.09 -0.06 -1.13 0.00 0.00 0.00 178.15 177.13 3hk9 h ASN 335 N 0.49 -0.13 -0.29 1.72 -1.24 -1.38 0.15 115.58 114.90 3hk9 h ASN 335 Ca 0.38 -0.10 -0.09 0.00 0.71 0.00 0.00 56.30 57.20 3hk9 h ASN 335 Cb 0.51 0.03 -0.02 0.00 0.73 0.00 0.00 38.32 39.57 3hk9 h ASN 335 CO -0.35 0.02 -0.10 1.05 -1.29 0.00 0.00 177.43 176.76 3hk9 h GLU 336 N -0.28 0.70 -0.17 6.67 4.11 -1.33 -1.49 114.58 122.80 3hk9 h GLU 336 Ca -0.02 -0.22 -0.04 0.00 0.07 0.00 0.00 59.36 59.16 3hk9 h GLU 336 Cb 0.22 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 3hk9 h GLU 336 CO 0.03 0.78 -0.05 0.52 0.07 0.00 0.00 179.01 180.37 3hk9 h MET 337 N 0.64 0.32 -0.28 1.06 2.86 -0.85 -1.73 114.93 116.95 3hk9 h MET 337 Ca 0.11 -0.13 -0.04 0.00 -2.06 0.00 0.00 59.70 57.58 3hk9 h MET 337 Cb 0.55 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.18 3hk9 h MET 337 CO 0.03 0.60 -0.01 1.15 1.06 0.00 0.00 176.91 179.74 3hk9 h THR 338 N 0.02 1.18 -0.13 2.22 2.02 -0.84 -1.30 112.91 116.09 3hk9 h THR 338 Ca 0.04 -0.70 -0.13 0.00 0.77 0.00 0.00 66.41 66.39 3hk9 h THR 338 Cb 0.49 0.98 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 3hk9 h THR 338 CO 0.02 0.24 -0.42 0.03 0.37 0.00 0.00 175.52 175.75 3hk9 h ARG 339 N 0.41 0.51 -0.35 6.66 3.08 -1.14 -2.20 114.38 121.36 3hk9 h ARG 339 Ca 0.09 -0.38 -0.02 0.00 0.07 0.00 0.00 59.98 59.74 3hk9 h ARG 339 Cb 0.29 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 3hk9 h ARG 339 CO 0.01 1.00 0.15 0.52 -1.07 0.00 0.00 179.97 180.58 3hk9 h MET 340 N 0.13 0.52 0.22 0.04 2.86 -1.15 -1.48 114.93 116.06 3hk9 h MET 340 Ca -0.02 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 3hk9 h MET 340 Cb 1.05 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.60 3hk9 h MET 340 CO 0.09 0.50 -0.21 0.00 1.06 0.00 0.00 176.91 178.34 3hk9 h ARG 341 N 0.42 -0.44 -0.47 1.72 3.08 -1.27 -2.15 114.38 115.26 3hk9 h ARG 341 Ca 0.12 0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.16 3hk9 h ARG 341 Cb 0.17 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 3hk9 h ARG 341 CO -0.01 -0.30 0.13 1.98 -1.07 0.00 0.00 179.97 180.71 3hk9 h MET 342 N -0.46 0.69 -0.04 0.04 4.05 -1.36 0.38 114.93 118.23 3hk9 h MET 342 Ca -0.00 -0.12 -0.08 0.00 -0.28 0.00 0.00 59.70 59.22 3hk9 h MET 342 Cb 0.43 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 31.10 3hk9 h MET 342 CO -0.05 0.61 -0.35 0.93 0.23 0.00 0.00 176.91 178.28 3hk9 h GLU 343 N 0.68 0.08 0.00 0.39 5.08 -1.07 -0.56 114.58 119.18 3hk9 h GLU 343 Ca 0.16 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3hk9 h GLU 343 Cb 0.22 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3hk9 h GLU 343 CO -0.01 0.42 -1.02 -1.33 -1.00 0.00 0.00 179.01 176.08 3hk9 n MET 344 N -4.10 1.62 0.00 2.33 2.81 -0.83 -4.65 117.12 114.31 3hk9 n MET 344 Ca -0.02 -0.05 0.00 0.00 -1.81 0.00 0.00 57.70 55.83 3hk9 n MET 344 Cb 0.41 -1.24 0.00 0.00 -0.71 0.00 0.00 33.22 31.67 3hk9 n MET 344 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3hk9 n LEU 345 N -1.57 0.98 0.00 4.03 4.77 0.13 -4.90 117.00 120.44 3hk9 n LEU 345 Ca 0.01 -0.98 0.00 0.00 -0.03 0.00 0.00 56.01 55.00 3hk9 n LEU 345 Cb 0.28 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 3hk9 n LEU 345 CO 0.30 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 3hk9 n GLY 346 N -0.17 4.06 0.92 -0.72 0.00 -0.22 -1.23 105.19 107.82 3hk9 n GLY 346 Ca 0.00 0.08 0.07 0.00 0.00 0.00 0.00 46.02 46.18 3hk9 n GLY 346 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hk9 n THR 347 N 0.00 1.61 -1.44 2.61 -2.24 -1.26 -4.31 114.28 109.25 3hk9 n THR 347 Ca 0.00 -1.34 -0.29 0.00 -2.27 0.00 0.00 64.05 60.15 3hk9 n THR 347 Cb 0.00 0.17 -0.07 0.00 -2.10 0.00 0.00 70.33 68.33 3hk9 n THR 347 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3hk9 n SER 348 N 0.29 7.04 -3.81 3.42 3.41 -0.36 -4.70 113.62 118.90 3hk9 n SER 348 Ca 0.18 -2.86 -0.07 0.00 -0.26 0.00 0.00 58.87 55.86 3hk9 n SER 348 Cb 0.68 -1.39 -0.02 0.00 -0.26 0.00 0.00 64.21 63.23 3hk9 n SER 348 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3hk9 s PHE 349 N -0.01 -0.22 -0.40 7.33 -0.12 -1.26 -4.82 117.98 118.48 3hk9 s PHE 349 Ca 0.62 -0.20 -0.06 0.00 -0.05 0.00 0.00 56.93 57.24 3hk9 s PHE 349 Cb 0.27 0.69 0.08 0.00 -0.63 0.00 0.00 43.02 43.44 3hk9 s PHE 349 CO -0.10 -1.18 0.20 0.42 -0.05 0.00 0.00 175.22 174.52 3hk9 s ILE 350 N -3.87 3.79 0.36 -4.49 1.01 -0.80 -4.67 121.20 112.52 3hk9 s ILE 350 Ca 0.10 -1.57 0.05 0.00 0.00 0.00 0.00 60.65 59.24 3hk9 s ILE 350 Cb -0.05 -3.37 0.29 0.00 0.01 0.00 0.00 42.46 39.34 3hk9 s ILE 350 CO 0.05 -0.49 1.96 1.55 0.00 0.00 0.00 174.94 178.00 3hk9 h PRO 351 N 8.25 0.75 -3.43 2.79 0.13 -1.85 0.20 132.00 138.84 3hk9 h PRO 351 Ca -0.20 -0.05 -0.05 0.00 -0.87 0.00 0.00 66.00 64.84 3hk9 h PRO 351 Cb 1.07 -0.17 -0.12 0.00 0.13 0.00 0.00 31.00 31.91 3hk9 h PRO 351 CO 0.71 0.50 -0.07 -1.14 -0.23 0.00 0.00 178.00 177.76 3hk9 s GLN 352 N -5.69 1.17 0.02 0.86 2.00 -1.26 -3.38 119.66 113.38 3hk9 s GLN 352 Ca -0.10 -0.82 -0.09 0.00 -2.00 0.00 0.00 55.36 52.36 3hk9 s GLN 352 Cb 0.19 0.47 0.00 0.00 0.80 0.00 0.00 33.01 34.48 3hk9 s GLN 352 CO 0.77 -0.47 0.18 -3.38 -0.50 0.00 0.00 175.29 171.89 3hk9 s HIS 353 N -3.85 0.04 0.00 1.67 -3.43 -1.26 -4.56 115.29 103.91 3hk9 s HIS 353 Ca 0.07 -0.20 -0.00 0.00 -0.80 0.00 0.00 55.06 54.12 3hk9 s HIS 353 Cb 0.01 -0.04 -0.26 0.00 -1.43 0.00 0.00 32.58 30.86 3hk9 s HIS 353 CO -0.08 -0.37 0.85 0.66 -2.00 0.00 0.00 174.74 173.80 3hk9 h SER 354 N 3.78 0.31 -1.33 7.38 4.64 -1.93 -3.45 113.55 122.95 3hk9 h SER 354 Ca -0.31 -0.44 -0.30 0.00 -0.47 0.00 0.00 61.79 60.27 3hk9 h SER 354 Cb 1.19 -0.10 -0.07 0.00 -0.31 0.00 0.00 62.40 63.11 3hk9 h SER 354 CO 0.45 1.37 -0.32 -0.67 -0.87 0.00 0.00 176.83 176.79 3hk9 n ASP 355 N -3.39 -4.64 -4.67 4.97 -0.08 -0.19 -4.91 116.55 103.63 3hk9 n ASP 355 Ca -0.15 0.19 -0.45 0.00 -1.51 0.00 0.00 54.79 52.86 3hk9 n ASP 355 Cb 1.03 -3.60 -0.04 0.00 2.34 0.00 0.00 41.12 40.86 3hk9 n ASP 355 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3hk9 n ALA 356 N -0.07 1.46 0.10 -1.67 0.00 -1.26 -4.39 120.51 114.68 3hk9 n ALA 356 Ca -0.16 0.44 0.06 0.00 0.00 0.00 0.00 53.44 53.78 3hk9 n ALA 356 Cb 0.55 -2.36 -0.09 0.00 0.00 0.00 0.00 19.45 17.56 3hk9 n ALA 356 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hk9 n ARG 357 N 3.28 0.88 -4.82 0.00 1.74 -1.26 0.76 116.66 117.23 3hk9 n ARG 357 Ca 0.16 -0.09 -0.27 0.00 -0.77 0.00 0.00 57.85 56.88 3hk9 n ARG 357 Cb 0.30 -1.24 -0.16 0.00 -1.02 0.00 0.00 32.46 30.33 3hk9 n ARG 357 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3hk9 s VAL 358 N -2.69 1.45 0.17 1.55 1.01 -1.26 -4.38 120.40 116.24 3hk9 s VAL 358 Ca -0.03 -0.69 -0.28 0.00 0.00 0.00 0.00 61.98 60.98 3hk9 s VAL 358 Cb 0.08 -1.28 -0.01 0.00 0.00 0.00 0.00 36.38 35.17 3hk9 s VAL 358 CO 0.49 0.42 1.55 0.25 0.00 0.00 0.00 175.10 177.81 3hk9 h LEU 359 N 6.66 -1.85 -2.39 3.92 5.85 -1.18 -1.53 115.31 124.80 3hk9 h LEU 359 Ca -0.29 0.29 0.01 0.00 0.84 0.00 0.00 57.88 58.73 3hk9 h LEU 359 Cb 1.19 0.83 -0.00 0.00 0.37 0.00 0.00 40.66 43.05 3hk9 h LEU 359 CO 0.47 -0.30 0.20 -0.33 -0.34 0.00 0.00 178.44 178.14 3hk9 h GLU 360 N -0.14 0.00 -0.11 1.25 3.07 -1.94 -2.52 114.58 114.19 3hk9 h GLU 360 Ca 0.17 0.00 0.03 0.00 -0.50 0.00 0.00 59.36 59.07 3hk9 h GLU 360 Cb 0.51 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.42 3hk9 h GLU 360 CO -0.82 0.00 0.13 1.96 -1.40 0.00 0.00 179.01 178.88 3hk9 h GLN 361 N 0.00 0.00 -0.53 2.33 4.20 -1.68 -0.58 115.11 118.85 3hk9 h GLN 361 Ca 0.02 0.00 0.14 0.00 0.06 0.00 0.00 58.65 58.87 3hk9 h GLN 361 Cb 0.42 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 3hk9 h GLN 361 CO -0.00 0.00 0.38 -0.07 -0.67 0.00 0.00 178.83 178.47 3hk9 h LEU 362 N 0.00 0.06 0.31 1.46 3.38 -1.63 0.97 115.31 119.85 3hk9 h LEU 362 Ca 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3hk9 h LEU 362 Cb 0.32 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.06 3hk9 h LEU 362 CO -0.00 0.03 -0.15 0.40 0.09 0.00 0.00 178.44 178.81 3hk9 h ILE 363 N 0.06 0.71 -0.00 1.22 2.04 -1.34 -2.97 117.51 117.22 3hk9 h ILE 363 Ca 0.25 -0.55 -0.25 0.00 1.00 0.00 0.00 64.86 65.32 3hk9 h ILE 363 Cb 0.93 0.99 0.01 0.00 -0.74 0.00 0.00 36.82 38.01 3hk9 h ILE 363 CO -0.02 0.11 -1.00 0.10 0.00 0.00 0.00 178.15 177.34 3hk9 h TYR 364 N -0.72 0.88 -0.34 1.37 -0.00 -1.51 -1.67 116.97 114.98 3hk9 h TYR 364 Ca -0.04 -0.47 0.04 0.00 0.00 0.00 0.00 58.73 58.26 3hk9 h TYR 364 Cb 0.49 -0.10 -0.04 0.00 0.00 0.00 0.00 36.73 37.08 3hk9 h TYR 364 CO 0.02 1.30 0.10 0.87 -0.00 0.00 0.00 178.16 180.45 3hk9 h LYS 365 N 0.34 0.22 0.01 0.10 1.79 -0.95 0.11 116.57 118.18 3hk9 h LYS 365 Ca -0.11 -0.01 -0.19 0.00 -2.18 0.00 0.00 60.65 58.16 3hk9 h LYS 365 Cb 1.64 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 32.22 3hk9 h LYS 365 CO 0.19 0.15 -0.90 -1.49 -1.08 0.00 0.00 179.45 176.32 3hk9 h TRP 366 N 0.23 0.11 -0.17 -1.35 4.06 -1.59 -2.45 115.95 114.79 3hk9 h TRP 366 Ca 0.15 -0.06 -0.08 0.00 2.06 0.00 0.00 58.89 60.96 3hk9 h TRP 366 Cb 0.15 -0.01 -0.00 0.00 -1.00 0.00 0.00 29.16 28.30 3hk9 h TRP 366 CO -0.16 0.92 -0.22 1.25 -3.56 0.00 0.00 178.44 176.67 3hk9 h HIS 367 N 0.03 0.55 -0.48 0.49 2.76 -0.98 -0.17 115.15 117.36 3hk9 h HIS 367 Ca -0.03 -0.18 -0.09 0.00 -2.20 0.00 0.00 60.37 57.88 3hk9 h HIS 367 Cb 1.56 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 30.39 3hk9 h HIS 367 CO 0.01 0.85 -0.04 0.45 -1.30 0.00 0.00 177.93 177.90 3hk9 h HIS 368 N 0.09 0.96 -0.11 5.26 3.86 -0.87 -2.97 115.15 121.38 3hk9 h HIS 368 Ca 0.02 -0.18 -0.19 0.00 -1.16 0.00 0.00 60.37 58.86 3hk9 h HIS 368 Cb 0.78 -0.24 0.01 0.00 1.06 0.00 0.00 27.41 29.02 3hk9 h HIS 368 CO 0.09 0.93 -0.68 0.77 0.86 0.00 0.00 177.93 179.89 3hk9 h SER 369 N 0.72 0.79 -0.76 2.45 0.02 -1.47 -3.19 113.55 112.11 3hk9 h SER 369 Ca 0.13 -0.65 0.02 0.00 -0.84 0.00 0.00 61.79 60.45 3hk9 h SER 369 Cb 0.57 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.84 3hk9 h SER 369 CO 0.03 1.32 0.50 0.11 -1.14 0.00 0.00 176.83 177.66 3hk9 h LYS 370 N 0.32 0.96 -0.20 3.45 1.57 -1.06 0.50 116.57 122.11 3hk9 h LYS 370 Ca -0.05 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.59 3hk9 h LYS 370 Cb 1.32 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 33.40 3hk9 h LYS 370 CO 0.14 0.63 -0.25 0.66 -0.57 0.00 0.00 179.45 180.07 3hk9 h SER 371 N 0.99 0.36 -0.01 0.86 4.64 -1.56 0.14 113.55 118.96 3hk9 h SER 371 Ca 0.29 -0.11 -0.12 0.00 -0.47 0.00 0.00 61.79 61.37 3hk9 h SER 371 Cb -0.04 -0.10 0.01 0.00 -0.31 0.00 0.00 62.40 61.96 3hk9 h SER 371 CO -0.07 0.61 -0.47 0.40 -0.87 0.00 0.00 176.83 176.42 3hk9 h ILE 372 N 0.32 1.45 -0.96 0.95 2.04 -1.35 -2.81 117.51 117.15 3hk9 h ILE 372 Ca 0.05 -1.99 0.01 0.00 1.00 0.00 0.00 64.86 63.93 3hk9 h ILE 372 Cb 0.61 2.59 -0.05 0.00 -0.74 0.00 0.00 36.82 39.23 3hk9 h ILE 372 CO 0.04 0.57 0.63 0.40 0.00 0.00 0.00 178.15 179.80 3hk9 h ILE 373 N -0.20 1.25 -0.76 -0.67 2.04 -0.78 -1.86 117.51 116.54 3hk9 h ILE 373 Ca -0.06 -0.46 -0.02 0.00 1.00 0.00 0.00 64.86 65.32 3hk9 h ILE 373 Cb 1.19 -0.17 -0.04 0.00 -0.74 0.00 0.00 36.82 37.07 3hk9 h ILE 373 CO 0.09 0.24 0.39 0.00 0.00 0.00 0.00 178.15 178.88 3hk9 h ALA 374 N 1.39 0.97 -0.57 1.87 0.00 -0.75 -1.13 119.26 121.04 3hk9 h ALA 374 Ca 0.35 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 3hk9 h ALA 374 Cb -0.14 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.32 3hk9 h ALA 374 CO -0.08 0.51 0.13 0.93 0.00 0.00 0.00 179.25 180.74 3hk9 h GLU 375 N 1.06 0.88 -0.15 0.00 4.39 -1.11 -0.29 114.58 119.35 3hk9 h GLU 375 Ca 0.26 -0.19 -0.03 0.00 0.34 0.00 0.00 59.36 59.74 3hk9 h GLU 375 Cb 0.07 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.59 3hk9 h GLU 375 CO -0.04 0.79 -0.04 0.28 -1.16 0.00 0.00 179.01 178.84 3hk9 h VAL 376 N 0.84 1.29 -0.60 3.13 2.07 -0.96 -2.45 116.25 119.57 3hk9 h VAL 376 Ca 0.18 -1.01 0.03 0.00 0.82 0.00 0.00 66.70 66.72 3hk9 h VAL 376 Cb 0.32 1.67 -0.04 0.00 -1.52 0.00 0.00 31.29 31.72 3hk9 h VAL 376 CO 0.00 0.30 0.36 -0.07 0.02 0.00 0.00 177.57 178.18 3hk9 h LEU 377 N -0.03 0.59 -0.27 2.57 3.38 -0.96 -1.16 115.31 119.43 3hk9 h LEU 377 Ca 0.04 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.05 3hk9 h LEU 377 Cb 0.48 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 3hk9 h LEU 377 CO 0.02 0.41 0.06 0.40 0.09 0.00 0.00 178.44 179.41 3hk9 h ILE 378 N 0.72 0.88 -0.44 1.22 2.04 -1.00 0.22 117.51 121.15 3hk9 h ILE 378 Ca 0.24 -0.06 0.02 0.00 1.00 0.00 0.00 64.86 66.07 3hk9 h ILE 378 Cb 0.03 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 3hk9 h ILE 378 CO -0.11 0.03 0.26 0.44 0.00 0.00 0.00 178.15 178.77 3hk9 h ASP 379 N 0.16 0.42 -0.47 1.72 3.32 -1.02 0.14 116.42 120.70 3hk9 h ASP 379 Ca 0.12 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.14 3hk9 h ASP 379 Cb 0.12 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 3hk9 h ASP 379 CO -0.16 0.30 0.12 0.11 -1.72 0.00 0.00 179.24 177.89 3hk9 h LYS 380 N 0.52 0.74 -0.35 3.56 6.56 -0.59 -0.15 116.57 126.86 3hk9 h LYS 380 Ca 0.18 -0.17 -0.12 0.00 -1.06 0.00 0.00 60.65 59.47 3hk9 h LYS 380 Cb 0.01 -0.10 -0.01 0.00 -0.57 0.00 0.00 32.23 31.56 3hk9 h LYS 380 CO -0.08 0.72 -0.29 1.88 -2.06 0.00 0.00 179.45 179.62 3hk9 h TYR 381 N 0.62 0.85 -0.79 -1.35 0.05 -0.47 -2.66 116.97 113.21 3hk9 h TYR 381 Ca 0.15 -0.21 -0.02 0.00 0.05 0.00 0.00 58.73 58.69 3hk9 h TYR 381 Cb 0.31 -0.19 -0.04 0.00 1.01 0.00 0.00 36.73 37.81 3hk9 h TYR 381 CO 0.02 0.94 0.41 0.22 -1.05 0.00 0.00 178.16 178.70 3hk9 h ASP 382 N 0.63 0.99 -0.52 3.88 3.58 -0.42 -0.03 116.42 124.53 3hk9 h ASP 382 Ca 0.08 -0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.43 3hk9 h ASP 382 Cb 0.80 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 41.58 3hk9 h ASP 382 CO 0.07 0.81 0.30 0.44 -2.88 0.00 0.00 179.24 177.98 3hk9 h ASP 383 N 1.11 0.64 1.41 2.28 3.32 -0.70 -0.73 116.42 123.75 3hk9 h ASP 383 Ca 0.28 -0.07 -0.08 0.00 0.02 0.00 0.00 57.03 57.17 3hk9 h ASP 383 Cb 0.06 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 3hk9 h ASP 383 CO -0.04 0.52 -0.39 0.16 -1.72 0.00 0.00 179.24 177.78 3hk9 h ILE 384 N 0.70 0.71 -0.69 0.35 3.07 -1.18 -2.55 117.51 117.92 3hk9 h ILE 384 Ca 0.19 -1.84 -0.06 0.00 1.55 0.00 0.00 64.86 64.70 3hk9 h ILE 384 Cb 0.01 2.23 -0.03 0.00 -0.27 0.00 0.00 36.82 38.76 3hk9 h ILE 384 CO -0.03 0.38 0.18 -0.07 -1.05 0.00 0.00 178.15 177.55 3hk9 h LEU 385 N 0.00 1.03 -1.40 0.16 4.07 -0.63 -0.70 115.31 117.85 3hk9 h LEU 385 Ca -0.00 -0.21 -0.06 0.00 0.08 0.00 0.00 57.88 57.68 3hk9 h LEU 385 Cb 1.20 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 42.66 3hk9 h LEU 385 CO 0.05 0.98 -0.30 1.56 -1.08 0.00 0.00 178.44 179.65 3hk9 h GLN 386 N 1.04 0.00 -0.09 1.13 1.08 -0.87 -2.27 115.11 115.12 3hk9 h GLN 386 Ca 0.22 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.42 3hk9 h GLN 386 Cb 0.35 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.78 3hk9 h GLN 386 CO 0.00 0.30 0.00 0.00 -0.95 0.00 0.00 178.83 178.18 3hk9 n ALA 387 N -2.45 2.55 0.00 3.87 0.00 -0.72 -4.89 120.51 118.87 3hk9 n ALA 387 Ca -0.02 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.14 3hk9 n ALA 387 Cb 0.35 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.65 3hk9 n ALA 387 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hk9 n GLY 388 N 0.88 0.27 3.73 0.00 0.00 -0.85 -5.07 105.19 104.15 3hk9 n GLY 388 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3hk9 n GLY 388 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3hk9 s TRP 389 N -2.06 3.24 -0.68 1.61 -0.11 -0.35 -4.97 118.94 115.63 3hk9 s TRP 389 Ca 0.00 1.15 -0.15 0.00 1.22 0.00 0.00 56.10 58.31 3hk9 s TRP 389 Cb 0.00 -3.63 0.17 0.00 -1.50 0.00 0.00 33.47 28.50 3hk9 s TRP 389 CO 0.00 -2.04 0.65 -2.00 -4.62 0.00 0.00 176.95 168.93 3hk9 s GLU 390 N 0.17 3.27 0.15 5.86 2.12 -1.26 -4.15 118.70 124.87 3hk9 s GLU 390 Ca 0.59 -2.00 -0.28 0.00 0.36 0.00 0.00 54.97 53.63 3hk9 s GLU 390 Cb -0.37 -4.37 -0.07 0.00 0.26 0.00 0.00 34.13 29.58 3hk9 s GLU 390 CO 0.37 -1.34 0.89 0.54 -0.54 0.00 0.00 175.26 175.18 3hk9 s VAL 391 N 1.10 4.37 0.16 3.70 0.11 -1.26 -5.06 120.40 123.53 3hk9 s VAL 391 Ca 0.11 1.95 0.05 0.00 -2.93 0.00 0.00 61.98 61.15 3hk9 s VAL 391 Cb -0.21 -4.26 -0.04 0.00 -1.53 0.00 0.00 36.38 30.34 3hk9 s VAL 391 CO -0.02 0.42 0.16 0.42 -3.33 0.00 0.00 175.10 172.75 3hk9 s THR 392 N -0.59 4.61 0.48 5.04 -4.23 -1.26 -4.50 115.64 115.19 3hk9 s THR 392 Ca 0.42 -1.03 0.13 0.00 -1.18 0.00 0.00 61.69 60.03 3hk9 s THR 392 Cb -0.24 -3.36 0.27 0.00 1.34 0.00 0.00 72.50 70.51 3hk9 s THR 392 CO 0.29 -0.11 2.11 -0.08 -0.54 0.00 0.00 174.62 176.29 3hk9 h GLU 393 N 2.34 0.20 -0.23 3.99 4.81 -1.99 -1.08 114.58 122.62 3hk9 h GLU 393 Ca -0.48 -0.01 -0.17 0.00 -0.13 0.00 0.00 59.36 58.57 3hk9 h GLU 393 Cb 1.20 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.53 3hk9 h GLU 393 CO 0.64 0.13 -0.55 1.49 -0.73 0.00 0.00 179.01 179.99 3hk9 h GLU 394 N 0.20 0.69 -0.26 1.92 4.57 -1.99 -1.28 114.58 118.44 3hk9 h GLU 394 Ca 0.06 -0.44 -0.11 0.00 -1.18 0.00 0.00 59.36 57.70 3hk9 h GLU 394 Cb 0.00 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 3hk9 h GLU 394 CO -0.01 1.06 -0.29 0.93 -1.18 0.00 0.00 179.01 179.51 3hk9 h GLU 395 N 0.53 0.54 -0.31 1.92 5.08 -1.70 -0.55 114.58 120.10 3hk9 h GLU 395 Ca 0.01 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.12 3hk9 h GLU 395 Cb 1.12 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 3hk9 h GLU 395 CO 0.11 0.77 0.07 0.82 -1.00 0.00 0.00 179.01 179.79 3hk9 h ILE 396 N 0.47 1.22 -0.34 3.13 2.04 -1.02 -0.85 117.51 122.15 3hk9 h ILE 396 Ca 0.06 -0.73 -0.03 0.00 1.00 0.00 0.00 64.86 65.16 3hk9 h ILE 396 Cb 0.74 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.92 3hk9 h ILE 396 CO 0.06 0.24 0.09 0.11 0.00 0.00 0.00 178.15 178.66 3hk9 h LYS 397 N 0.33 0.48 0.68 2.37 1.57 -0.95 -0.62 116.57 120.44 3hk9 h LYS 397 Ca 0.10 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 3hk9 h LYS 397 Cb 0.29 -0.09 0.01 0.00 0.08 0.00 0.00 32.23 32.52 3hk9 h LYS 397 CO 0.00 0.44 -0.33 -0.09 -0.57 0.00 0.00 179.45 178.90 3hk9 h ARG 398 N 0.48 -0.89 -0.56 3.15 2.43 -0.70 -1.74 114.38 116.55 3hk9 h ARG 398 Ca 0.12 0.06 0.10 0.00 -0.81 0.00 0.00 59.98 59.45 3hk9 h ARG 398 Cb 0.17 0.20 -0.08 0.00 -0.42 0.00 0.00 29.97 29.84 3hk9 h ARG 398 CO -0.01 -0.56 0.12 -0.44 -1.51 0.00 0.00 179.97 177.57 3hk9 h ASP 399 N -1.12 0.01 -0.61 -3.80 3.32 -0.90 -0.76 116.42 112.56 3hk9 h ASP 399 Ca -0.09 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3hk9 h ASP 399 Cb 0.74 0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.39 3hk9 h ASP 399 CO 0.15 0.02 0.39 0.58 -1.72 0.00 0.00 179.24 178.67 3hk9 h VAL 400 N 0.26 1.17 -0.35 -1.35 2.07 -1.11 -1.70 116.25 115.24 3hk9 h VAL 400 Ca 0.29 -0.33 -0.10 0.00 0.82 0.00 0.00 66.70 67.37 3hk9 h VAL 400 Cb 0.41 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 3hk9 h VAL 400 CO -0.37 0.17 -0.21 0.00 0.02 0.00 0.00 177.57 177.17 3hk9 h ALA 401 N 1.59 0.98 0.24 1.67 0.00 -0.22 -2.46 119.26 121.07 3hk9 h ALA 401 Ca 0.22 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3hk9 h ALA 401 Cb -0.07 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.58 3hk9 h ALA 401 CO -0.05 0.60 -0.12 -0.44 0.00 0.00 0.00 179.25 179.25 3hk9 h ASP 402 N 0.59 -0.28 -0.41 0.00 3.32 -0.55 0.84 116.42 119.93 3hk9 h ASP 402 Ca 0.09 -0.13 0.05 0.00 0.02 0.00 0.00 57.03 57.06 3hk9 h ASP 402 Cb 0.68 0.07 -0.04 0.00 0.22 0.00 0.00 39.33 40.26 3hk9 h ASP 402 CO 0.05 -0.03 0.15 -0.07 -1.72 0.00 0.00 179.24 177.62 3hk9 h LEU 403 N -0.52 0.17 0.00 1.55 3.38 -1.32 0.45 115.31 119.02 3hk9 h LEU 403 Ca -0.03 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3hk9 h LEU 403 Cb 0.39 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3hk9 h LEU 403 CO 0.05 0.13 -0.52 0.49 0.09 0.00 0.00 178.44 178.69 3hk9 n PHE 404 N -5.00 0.04 0.20 1.13 3.72 -0.93 -4.25 117.46 112.36 3hk9 n PHE 404 Ca 0.03 0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 3hk9 n PHE 404 Cb 0.15 -0.28 0.00 0.00 -0.94 0.00 0.00 39.48 38.41 3hk9 n PHE 404 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3hk9 n SER 405 N -1.54 -2.79 -0.32 4.37 2.88 -0.43 -1.67 113.62 114.12 3hk9 n SER 405 Ca 0.05 0.75 0.04 0.00 -1.33 0.00 0.00 58.87 58.38 3hk9 n SER 405 Cb 0.34 2.68 0.19 0.00 -0.75 0.00 0.00 64.21 66.68 3hk9 n SER 405 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 3hk9 h ARG 406 N 0.00 0.84 -0.87 -1.46 3.08 -0.89 -2.65 114.38 112.43 3hk9 h ARG 406 Ca 0.00 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.01 3hk9 h ARG 406 Cb 0.00 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 29.82 3hk9 h ARG 406 CO 0.00 0.56 0.58 -0.91 -1.07 0.00 0.00 179.97 179.13 3hk9 h ASN 407 N 0.87 1.00 0.49 7.04 2.35 -1.12 0.12 115.58 126.33 3hk9 h ASN 407 Ca 0.43 -0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 56.13 3hk9 h ASN 407 Cb 0.41 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.53 3hk9 h ASN 407 CO -0.25 0.73 -0.23 0.15 -1.65 0.00 0.00 177.43 176.17 3hk9 h PHE 408 N 1.18 -0.61 -0.70 1.19 3.57 -1.70 -1.17 116.94 118.70 3hk9 h PHE 408 Ca 0.32 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.82 3hk9 h PHE 408 Cb -0.14 0.20 -0.04 0.00 2.79 0.00 0.00 35.95 38.77 3hk9 h PHE 408 CO -0.00 -0.28 0.47 -1.49 -2.23 0.00 0.00 178.31 174.77 3hk9 h TRP 409 N -0.94 0.88 -0.73 0.41 4.06 -1.45 0.25 115.95 118.43 3hk9 h TRP 409 Ca -0.07 0.02 -0.03 0.00 2.06 0.00 0.00 58.89 60.87 3hk9 h TRP 409 Cb 0.60 -0.30 -0.03 0.00 -1.00 0.00 0.00 29.16 28.43 3hk9 h TRP 409 CO 0.01 0.55 0.34 -0.09 -3.56 0.00 0.00 178.44 175.68 3hk9 h ARG 410 N 0.94 1.05 -0.09 0.49 2.43 -0.95 0.27 114.38 118.52 3hk9 h ARG 410 Ca 0.26 -0.16 -0.05 0.00 -0.81 0.00 0.00 59.98 59.22 3hk9 h ARG 410 Cb -0.09 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 29.28 3hk9 h ARG 410 CO -0.06 0.83 -0.14 0.35 -1.51 0.00 0.00 179.97 179.45 3hk9 h PHE 411 N 1.02 0.32 0.00 2.20 3.57 0.12 -2.87 116.94 121.30 3hk9 h PHE 411 Ca 0.25 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.64 3hk9 h PHE 411 Cb 0.14 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 38.81 3hk9 h PHE 411 CO 0.01 0.72 0.00 1.33 -2.23 0.00 0.00 178.31 178.14 3hk9 n VAL 412 N -4.61 1.21 -2.44 1.41 0.24 -0.06 -4.85 118.33 109.23 3hk9 n VAL 412 Ca -0.07 0.34 -0.05 0.00 -2.04 0.00 0.00 64.34 62.52 3hk9 n VAL 412 Cb 0.36 -1.20 0.03 0.00 -1.47 0.00 0.00 33.84 31.56 3hk9 n VAL 412 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hk9 n GLY 413 N -0.46 0.22 0.04 7.63 0.00 -0.82 -4.79 105.19 107.01 3hk9 n GLY 413 Ca 0.02 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.73 3hk9 n GLY 413 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19