#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 5.02 -0.09 -1.33 1.01 -1.26 -4.89 121.20 119.66 3hk9 s ILE 3 Ca 0.00 -1.39 0.12 0.00 0.00 0.00 0.00 60.65 59.38 3hk9 s ILE 3 Cb 0.00 -4.14 0.23 0.00 0.01 0.00 0.00 42.46 38.56 3hk9 s ILE 3 CO 0.00 -0.74 1.11 -0.46 0.00 0.00 0.00 174.94 174.86 3hk9 n ASN 4 N 5.17 1.36 -3.56 3.58 6.94 -1.26 -4.69 115.26 122.79 3hk9 n ASN 4 Ca -0.12 -2.74 -0.13 0.00 -0.02 0.00 0.00 54.58 51.57 3hk9 n ASN 4 Cb 0.41 -0.36 -0.05 0.00 -2.36 0.00 0.00 39.78 37.43 3hk9 n ASN 4 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 3hk9 s SER 5 N -2.23 -0.41 0.32 0.53 1.04 -1.26 -5.02 113.70 106.67 3hk9 s SER 5 Ca 0.23 0.03 0.01 0.00 0.48 0.00 0.00 55.95 56.69 3hk9 s SER 5 Cb 0.21 0.50 0.56 0.00 0.10 0.00 0.00 66.02 67.39 3hk9 s SER 5 CO -0.02 -0.79 1.97 -0.09 0.98 0.00 0.00 173.24 175.30 3hk9 h ARG 6 N 2.56 0.95 -0.61 4.02 2.43 -1.97 -0.69 114.38 121.08 3hk9 h ARG 6 Ca -0.32 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 58.76 3hk9 h ARG 6 Cb 1.24 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 30.55 3hk9 h ARG 6 CO 0.42 0.63 0.25 1.49 -1.51 0.00 0.00 179.97 181.25 3hk9 h GLU 7 N 0.98 0.90 -0.31 0.20 4.81 -1.99 0.35 114.58 119.53 3hk9 h GLU 7 Ca 0.30 -0.16 -0.11 0.00 -0.13 0.00 0.00 59.36 59.26 3hk9 h GLU 7 Cb -0.02 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 3hk9 h GLU 7 CO -0.08 0.76 -0.24 0.28 -0.73 0.00 0.00 179.01 179.00 3hk9 h VAL 8 N 0.84 1.30 -0.32 0.32 2.07 -1.85 -2.87 116.25 115.74 3hk9 h VAL 8 Ca 0.20 -1.39 0.03 0.00 0.82 0.00 0.00 66.70 66.36 3hk9 h VAL 8 Cb 0.19 1.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 3hk9 h VAL 8 CO -0.02 0.45 0.14 0.25 0.02 0.00 0.00 177.57 178.41 3hk9 h LEU 9 N 0.46 0.19 -0.75 2.57 5.85 -0.85 -1.47 115.31 121.30 3hk9 h LEU 9 Ca 0.06 0.02 0.12 0.00 0.84 0.00 0.00 57.88 58.92 3hk9 h LEU 9 Cb 0.80 -0.01 -0.09 0.00 0.37 0.00 0.00 40.66 41.74 3hk9 h LEU 9 CO 0.06 0.15 0.35 0.00 -0.34 0.00 0.00 178.44 178.66 3hk9 h ALA 10 N 1.18 1.07 0.24 1.25 0.00 -0.22 0.19 119.26 122.97 3hk9 h ALA 10 Ca 0.14 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 3hk9 h ALA 10 Cb 0.07 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3hk9 h ALA 10 CO -0.11 -0.13 -0.12 1.49 0.00 0.00 0.00 179.25 180.39 3hk9 h GLU 11 N 0.54 -0.31 -0.71 0.00 4.81 -1.17 -1.46 114.58 116.28 3hk9 h GLU 11 Ca 0.40 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.62 3hk9 h GLU 11 Cb 0.53 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.95 3hk9 h GLU 11 CO -0.34 -0.13 0.33 0.87 -0.73 0.00 0.00 179.01 179.01 3hk9 h LYS 12 N -0.43 1.02 0.08 1.92 1.79 -0.56 -1.47 116.57 118.91 3hk9 h LYS 12 Ca -0.03 -0.15 -0.00 0.00 -2.18 0.00 0.00 60.65 58.28 3hk9 h LYS 12 Cb 0.33 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 30.80 3hk9 h LYS 12 CO 0.05 0.81 -0.04 0.28 -1.08 0.00 0.00 179.45 179.47 3hk9 h VAL 13 N 0.99 1.09 -0.63 0.50 2.07 -0.63 -1.39 116.25 118.23 3hk9 h VAL 13 Ca 0.24 -0.58 0.07 0.00 0.82 0.00 0.00 66.70 67.25 3hk9 h VAL 13 Cb 0.13 1.46 -0.06 0.00 -1.52 0.00 0.00 31.29 31.30 3hk9 h VAL 13 CO -0.03 0.14 0.33 0.11 0.02 0.00 0.00 177.57 178.14 3hk9 h LYS 14 N -0.36 0.58 -0.25 1.57 1.57 -1.17 0.05 116.57 118.56 3hk9 h LYS 14 Ca -0.01 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3hk9 h LYS 14 Cb 0.31 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 3hk9 h LYS 14 CO 0.02 0.38 0.15 -0.91 -0.57 0.00 0.00 179.45 178.52 3hk9 h ASN 15 N 0.60 0.31 -0.02 0.86 2.35 -1.21 0.46 115.58 118.92 3hk9 h ASN 15 Ca 0.29 -0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.98 3hk9 h ASN 15 Cb 0.23 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.52 3hk9 h ASN 15 CO -0.21 0.28 0.01 0.00 -1.65 0.00 0.00 177.43 175.87 3hk9 h ALA 16 N 1.04 0.03 -0.34 -0.83 0.00 -0.70 0.85 119.26 119.32 3hk9 h ALA 16 Ca 0.09 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3hk9 h ALA 16 Cb 0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3hk9 h ALA 16 CO -0.02 -0.45 0.20 0.28 0.00 0.00 0.00 179.25 179.27 3hk9 h VAL 17 N -0.01 1.04 -0.75 0.00 2.07 -0.92 0.65 116.25 118.34 3hk9 h VAL 17 Ca 0.01 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 3hk9 h VAL 17 Cb 0.05 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 3hk9 h VAL 17 CO -0.00 0.07 0.39 0.78 0.02 0.00 0.00 177.57 178.83 3hk9 h ASN 18 N 0.41 0.94 1.15 0.57 -0.26 -0.70 -3.04 115.58 114.66 3hk9 h ASN 18 Ca 0.13 -0.09 0.00 0.00 -0.56 0.00 0.00 56.30 55.78 3hk9 h ASN 18 Cb -0.01 -0.24 0.00 0.00 -1.06 0.00 0.00 38.32 37.01 3hk9 h ASN 18 CO -0.06 0.77 -0.48 0.78 -1.06 0.00 0.00 177.43 177.38 3hk9 h ASN 19 N 1.05 0.00 -2.64 5.81 2.35 -0.41 -3.46 115.58 118.27 3hk9 h ASN 19 Ca 0.26 -0.11 -0.55 0.00 -0.55 0.00 0.00 56.30 55.35 3hk9 h ASN 19 Cb 0.06 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 3hk9 h ASN 19 CO -0.04 0.05 1.08 -1.58 -1.65 0.00 0.00 177.43 175.29 3hk9 s GLN 20 N -3.19 4.15 0.24 0.81 2.00 0.18 -4.96 119.66 118.90 3hk9 s GLN 20 Ca 0.06 2.11 -0.30 0.00 -2.00 0.00 0.00 55.36 55.23 3hk9 s GLN 20 Cb 0.12 -3.97 -0.10 0.00 0.80 0.00 0.00 33.01 29.85 3hk9 s GLN 20 CO 0.70 -0.87 1.49 -2.14 -0.50 0.00 0.00 175.29 173.97 3hk9 s PRO 21 N 4.06 4.23 -0.08 1.67 0.02 -1.26 -4.94 135.00 138.69 3hk9 s PRO 21 Ca 0.72 2.36 -0.10 0.00 0.02 0.00 0.00 61.00 64.01 3hk9 s PRO 21 Cb -0.32 -3.10 -0.05 0.00 0.02 0.00 0.00 34.50 31.05 3hk9 s PRO 21 CO 0.28 -0.49 0.23 0.08 -0.33 0.00 0.00 177.00 176.78 3hk9 s VAL 22 N 0.20 5.34 -0.29 3.83 1.01 -0.09 -4.68 120.40 125.72 3hk9 s VAL 22 Ca 0.62 0.43 -0.07 0.00 0.00 0.00 0.00 61.98 62.96 3hk9 s VAL 22 Cb -0.43 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.44 3hk9 s VAL 22 CO 0.42 0.60 0.09 -0.89 0.00 0.00 0.00 175.10 175.32 3hk9 s THR 23 N -1.02 4.04 -0.76 3.92 2.01 -0.70 -0.74 115.64 122.39 3hk9 s THR 23 Ca 0.18 -0.63 -0.18 0.00 0.31 0.00 0.00 61.69 61.37 3hk9 s THR 23 Cb -0.14 -3.07 0.14 0.00 0.01 0.00 0.00 72.50 69.44 3hk9 s THR 23 CO 0.07 0.10 0.87 -0.62 -0.69 0.00 0.00 174.62 174.35 3hk9 s ASP 24 N 1.52 6.46 0.00 3.53 -1.08 0.20 -4.73 116.67 122.57 3hk9 s ASP 24 Ca 0.03 -1.90 0.05 0.00 -0.52 0.00 0.00 52.55 50.20 3hk9 s ASP 24 Cb -0.17 -2.32 0.28 0.00 -1.46 0.00 0.00 42.92 39.26 3hk9 s ASP 24 CO 0.03 -0.99 0.90 1.15 0.52 0.00 0.00 175.17 176.77 3hk9 n MET 25 N 5.92 0.68 -3.15 4.34 0.00 -1.26 -1.10 117.12 122.54 3hk9 n MET 25 Ca 0.07 0.00 0.04 0.00 0.00 0.00 0.00 57.70 57.81 3hk9 n MET 25 Cb 0.46 -1.11 -0.01 0.00 0.00 0.00 0.00 33.22 32.56 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 -1.42 0.30 3.17 5.65 -1.26 -4.77 115.29 114.97 3hk9 s HIS 26 Ca 0.07 1.46 0.02 0.00 0.25 0.00 0.00 55.06 56.87 3hk9 s HIS 26 Cb 0.03 0.48 -0.02 0.00 -1.18 0.00 0.00 32.58 31.89 3hk9 s HIS 26 CO 0.05 -0.78 0.30 0.95 -0.65 0.00 0.00 174.74 174.62 3hk9 s THR 27 N 2.88 0.00 -0.28 0.89 -4.23 -0.53 -0.94 115.64 113.43 3hk9 s THR 27 Ca 0.17 -1.87 0.10 0.00 -1.18 0.00 0.00 61.69 58.90 3hk9 s THR 27 Cb -0.14 -2.52 0.46 0.00 1.34 0.00 0.00 72.50 71.64 3hk9 s THR 27 CO -0.20 0.00 1.18 1.41 -0.54 0.00 0.00 174.62 176.48 3hk9 n HIS 28 N -0.52 2.30 -3.60 3.99 8.25 0.15 -2.97 115.22 122.82 3hk9 n HIS 28 Ca 0.04 -2.13 -0.20 0.00 -0.26 0.00 0.00 57.72 55.17 3hk9 n HIS 28 Cb 0.63 -0.32 -0.03 0.00 1.12 0.00 0.00 29.99 31.40 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 -3.55 3.56 0.03 2.41 1.43 -1.18 -4.55 118.68 116.83 3hk9 s LEU 29 Ca 0.47 -0.56 -0.02 0.00 -1.03 0.00 0.00 54.13 52.99 3hk9 s LEU 29 Cb 0.39 -2.25 -0.02 0.00 0.03 0.00 0.00 46.19 44.35 3hk9 s LEU 29 CO 0.02 -0.52 0.00 -0.36 0.23 0.00 0.00 176.35 175.72 3hk9 s PHE 30 N -2.36 0.28 0.31 0.29 0.08 -1.26 -4.43 117.98 110.88 3hk9 s PHE 30 Ca 0.46 -0.59 -0.29 0.00 0.12 0.00 0.00 56.93 56.63 3hk9 s PHE 30 Cb -0.06 -0.21 -0.13 0.00 -0.57 0.00 0.00 43.02 42.06 3hk9 s PHE 30 CO 0.28 -0.26 1.26 0.45 -0.10 0.00 0.00 175.22 176.85 3hk9 n SER 31 N 1.18 2.47 -0.20 1.36 2.88 -1.26 -4.83 113.62 115.22 3hk9 n SER 31 Ca -0.21 1.19 0.22 0.00 -1.33 0.00 0.00 58.87 58.74 3hk9 n SER 31 Cb 0.57 -1.44 0.59 0.00 -0.75 0.00 0.00 64.21 63.18 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 2.74 0.25 0.00 -1.46 0.13 -1.94 -1.10 132.00 130.62 3hk9 h PRO 32 Ca -0.45 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3hk9 h PRO 32 Cb 1.29 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3hk9 h PRO 32 CO 0.65 0.16 0.00 0.27 -0.23 0.00 0.00 178.00 178.85 3hk9 n ASN 33 N -4.43 0.00 -0.11 1.44 6.94 -1.26 -2.31 115.26 115.52 3hk9 n ASN 33 Ca 0.18 -0.20 0.15 0.00 -0.02 0.00 0.00 54.58 54.69 3hk9 n ASN 33 Cb 0.77 -0.16 0.70 0.00 -2.36 0.00 0.00 39.78 38.73 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 -1.16 0.00 -0.73 -2.53 3.01 -0.42 -5.03 117.46 110.60 3hk9 n PHE 34 Ca 0.10 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.56 3hk9 n PHE 34 Cb 0.10 -0.14 0.00 0.00 -0.01 0.00 0.00 39.48 39.43 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 1.20 -1.83 0.04 1.37 0.00 -0.98 -4.43 105.19 100.57 3hk9 n GLY 35 Ca 0.17 -1.89 0.04 0.00 0.00 0.00 0.00 46.02 44.34 3hk9 n GLY 35 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hk9 n GLU 36 N 0.00 0.04 0.33 1.61 1.02 -1.26 -2.18 120.64 120.20 3hk9 n GLU 36 Ca 0.00 0.51 0.21 0.00 -0.02 0.00 0.00 57.16 57.86 3hk9 n GLU 36 Cb 0.00 -1.62 1.13 0.00 -0.02 0.00 0.00 31.44 30.93 3hk9 n GLU 36 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 3hk9 h ILE 37 N 0.00 0.06 -3.53 -3.67 2.10 -1.96 -3.36 117.51 107.15 3hk9 h ILE 37 Ca 0.00 0.00 -0.61 0.00 1.08 0.00 0.00 64.86 65.33 3hk9 h ILE 37 Cb 0.04 0.94 -0.11 0.00 -1.09 0.00 0.00 36.82 36.60 3hk9 h ILE 37 CO 0.00 0.00 0.45 -0.22 -1.08 0.00 0.00 178.15 177.30 3hk9 s LEU 38 N -6.28 4.09 0.16 2.19 2.96 -0.93 -4.82 118.68 116.05 3hk9 s LEU 38 Ca -0.05 0.37 -0.14 0.00 -0.22 0.00 0.00 54.13 54.09 3hk9 s LEU 38 Cb 0.13 -3.10 -0.07 0.00 0.50 0.00 0.00 46.19 43.65 3hk9 s LEU 38 CO 0.41 -0.80 0.56 -0.76 -1.32 0.00 0.00 176.35 174.44 3hk9 s LEU 39 N 3.27 4.32 -0.05 -0.68 1.43 -1.26 -5.00 118.68 120.71 3hk9 s LEU 39 Ca 0.34 1.09 -0.30 0.00 -1.03 0.00 0.00 54.13 54.23 3hk9 s LEU 39 Cb -0.13 -3.33 0.11 0.00 0.03 0.00 0.00 46.19 42.88 3hk9 s LEU 39 CO 0.18 0.08 0.94 -1.66 0.23 0.00 0.00 176.35 176.13 3hk9 s TRP 40 N -1.50 -0.33 0.00 0.29 1.48 -1.26 -0.77 118.94 116.85 3hk9 s TRP 40 Ca 0.39 0.26 0.00 0.00 -1.06 0.00 0.00 56.10 55.69 3hk9 s TRP 40 Cb -0.15 0.52 0.00 0.00 -1.16 0.00 0.00 33.47 32.69 3hk9 s TRP 40 CO 0.19 -0.48 0.00 -0.40 -4.06 0.00 0.00 176.95 172.21 3hk9 n ASP 41 N -0.09 0.00 -0.14 -2.66 3.85 -1.26 -4.53 116.55 111.71 3hk9 n ASP 41 Ca -0.08 0.00 0.11 0.00 -0.71 0.00 0.00 54.79 54.11 3hk9 n ASP 41 Cb 0.61 0.00 0.45 0.00 -1.35 0.00 0.00 41.12 40.83 3hk9 n ASP 41 CO 0.00 0.00 0.00 -0.29 -1.01 0.00 0.00 177.20 175.90 3hk9 h ILE 42 N 0.00 0.90 -0.34 2.12 6.09 -1.95 -1.62 117.51 122.70 3hk9 h ILE 42 Ca 0.00 -0.18 -0.14 0.00 -1.37 0.00 0.00 64.86 63.17 3hk9 h ILE 42 Cb 0.00 0.33 -0.01 0.00 0.47 0.00 0.00 36.82 37.61 3hk9 h ILE 42 CO 0.00 0.10 -0.35 0.44 -3.07 0.00 0.00 178.15 175.26 3hk9 h ASP 43 N 0.52 0.83 -0.27 2.19 3.32 -1.95 -1.20 116.42 119.86 3hk9 h ASP 43 Ca 0.32 -0.36 -0.04 0.00 0.02 0.00 0.00 57.03 56.98 3hk9 h ASP 43 Cb 0.56 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 3hk9 h ASP 43 CO -0.11 1.10 0.01 -0.33 -1.72 0.00 0.00 179.24 178.19 3hk9 h GLU 44 N 0.65 0.47 -0.39 3.56 4.39 -1.60 -2.24 114.58 119.42 3hk9 h GLU 44 Ca 0.06 -0.14 0.04 0.00 0.34 0.00 0.00 59.36 59.66 3hk9 h GLU 44 Cb 0.90 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.47 3hk9 h GLU 44 CO 0.08 0.62 0.15 -0.07 -1.16 0.00 0.00 179.01 178.64 3hk9 h LEU 45 N 0.25 0.18 -1.86 1.33 3.38 -1.21 -1.97 115.31 115.41 3hk9 h LEU 45 Ca 0.08 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3hk9 h LEU 45 Cb 0.41 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 3hk9 h LEU 45 CO 0.01 0.14 -0.07 -0.07 0.09 0.00 0.00 178.44 178.55 3hk9 h LEU 46 N 0.32 0.00 -3.31 1.67 3.38 -1.13 -2.87 115.31 113.37 3hk9 h LEU 46 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3hk9 h LEU 46 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3hk9 h LEU 46 CO -0.17 0.07 0.00 0.35 0.09 0.00 0.00 178.44 178.78 3hk9 n THR 47 N -3.29 2.28 -1.78 0.22 -2.24 -0.79 -4.76 114.28 103.92 3hk9 n THR 47 Ca -0.01 -1.59 -0.41 0.00 -2.27 0.00 0.00 64.05 59.77 3hk9 n THR 47 Cb 0.26 -0.16 -0.00 0.00 -2.10 0.00 0.00 70.33 68.33 3hk9 n THR 47 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3hk9 s TYR 48 N -2.55 2.56 0.60 4.78 5.04 -0.93 -4.78 117.35 122.07 3hk9 s TYR 48 Ca 0.46 1.14 0.30 0.00 -2.44 0.00 0.00 57.07 56.53 3hk9 s TYR 48 Cb 0.35 -4.05 1.71 0.00 0.35 0.00 0.00 41.96 40.32 3hk9 s TYR 48 CO 0.13 -3.09 2.10 1.12 -1.34 0.00 0.00 175.55 174.48 3hk9 h HIS 49 N 3.01 0.00 -0.69 4.97 2.07 -1.92 -0.39 115.15 122.20 3hk9 h HIS 49 Ca -0.51 0.00 0.03 0.00 -2.85 0.00 0.00 60.37 57.04 3hk9 h HIS 49 Cb 1.24 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 31.18 3hk9 h HIS 49 CO 0.53 0.00 0.43 1.88 -3.07 0.00 0.00 177.93 177.70 3hk9 h TYR 50 N 0.00 0.81 0.00 6.12 -1.99 -1.94 -1.07 116.97 118.90 3hk9 h TYR 50 Ca 0.08 0.02 -0.04 0.00 2.00 0.00 0.00 58.73 60.78 3hk9 h TYR 50 Cb 0.48 -0.26 -0.01 0.00 2.00 0.00 0.00 36.73 38.94 3hk9 h TYR 50 CO 0.00 0.46 -0.21 -0.07 -0.00 0.00 0.00 178.16 178.34 3hk9 h LEU 51 N 0.84 0.00 -0.17 3.88 4.07 -1.38 -2.64 115.31 119.91 3hk9 h LEU 51 Ca 0.28 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 58.21 3hk9 h LEU 51 Cb 0.03 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.77 3hk9 h LEU 51 CO -0.11 0.21 -0.01 0.58 -1.08 0.00 0.00 178.44 178.02 3hk9 h VAL 52 N 0.00 1.26 -0.52 1.22 2.07 -0.99 0.25 116.25 119.55 3hk9 h VAL 52 Ca -0.00 -0.89 0.01 0.00 0.82 0.00 0.00 66.70 66.63 3hk9 h VAL 52 Cb 0.90 1.52 -0.03 0.00 -1.52 0.00 0.00 31.29 32.16 3hk9 h VAL 52 CO 0.03 0.27 0.34 0.00 0.02 0.00 0.00 177.57 178.22 3hk9 h ALA 53 N 0.76 0.66 -0.41 1.67 0.00 -1.25 -2.29 119.26 118.39 3hk9 h ALA 53 Ca 0.05 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 3hk9 h ALA 53 Cb 0.41 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3hk9 h ALA 53 CO 0.01 0.09 -0.10 0.93 0.00 0.00 0.00 179.25 180.17 3hk9 h GLU 54 N 0.69 0.80 -0.07 0.00 5.08 -1.29 -3.01 114.58 116.77 3hk9 h GLU 54 Ca 0.19 -0.31 -0.05 0.00 -1.00 0.00 0.00 59.36 58.20 3hk9 h GLU 54 Cb -0.06 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 3hk9 h GLU 54 CO -0.05 0.92 -0.18 -0.24 -1.00 0.00 0.00 179.01 178.46 3hk9 h VAL 55 N 0.62 1.17 0.00 3.13 3.04 -0.34 -2.39 116.25 121.47 3hk9 h VAL 55 Ca 0.10 -0.78 0.00 0.00 -1.01 0.00 0.00 66.70 65.01 3hk9 h VAL 55 Cb 0.63 1.32 0.00 0.00 -2.01 0.00 0.00 31.29 31.23 3hk9 h VAL 55 CO 0.04 0.23 0.00 0.24 -1.01 0.00 0.00 177.57 177.07 3hk9 h MET 56 N 0.11 0.00 0.00 4.17 2.86 -1.27 -0.97 114.93 119.82 3hk9 h MET 56 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 3hk9 h MET 56 Cb 0.39 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.05 3hk9 h MET 56 CO 0.03 0.00 -0.22 0.54 1.06 0.00 0.00 176.91 178.32 3hk9 n ARG 57 N -2.46 0.11 -0.04 1.72 1.74 -0.90 -4.42 116.66 112.41 3hk9 n ARG 57 Ca 0.01 0.06 -0.10 0.00 -0.77 0.00 0.00 57.85 57.06 3hk9 n ARG 57 Cb 0.22 -1.60 -0.03 0.00 -1.02 0.00 0.00 32.46 30.02 3hk9 n ARG 57 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 3hk9 n TRP 58 N -1.78 0.00 -2.22 -1.55 7.02 -0.74 -5.06 117.44 113.10 3hk9 n TRP 58 Ca 0.06 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.17 3hk9 n TRP 58 Cb 0.38 -0.33 -0.00 0.00 -2.42 0.00 0.00 31.31 28.93 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 -2.20 3.04 -1.26 -0.99 -1.32 -0.45 -4.93 115.64 107.53 3hk9 s THR 59 Ca -0.13 0.76 0.18 0.00 -1.21 0.00 0.00 61.69 61.29 3hk9 s THR 59 Cb 0.05 -3.38 0.69 0.00 -1.51 0.00 0.00 72.50 68.35 3hk9 s THR 59 CO 0.17 -0.03 1.60 -0.90 -2.21 0.00 0.00 174.62 173.25 3hk9 n ASP 60 N -0.61 4.54 -4.69 8.08 3.85 -1.26 -4.86 116.55 121.60 3hk9 n ASP 60 Ca 0.08 -2.38 -0.42 0.00 -0.71 0.00 0.00 54.79 51.35 3hk9 n ASP 60 Cb 0.48 -0.56 -0.03 0.00 -1.35 0.00 0.00 41.12 39.66 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 -1.75 4.77 0.76 2.12 1.01 -1.26 -5.00 120.40 121.05 3hk9 s VAL 61 Ca 0.49 2.02 -0.14 0.00 0.00 0.00 0.00 61.98 64.36 3hk9 s VAL 61 Cb 0.31 -4.30 0.06 0.00 0.00 0.00 0.00 36.38 32.45 3hk9 s VAL 61 CO 0.25 0.06 1.17 -0.94 0.00 0.00 0.00 175.10 175.64 3hk9 s SER 62 N 1.09 4.05 0.29 3.32 1.04 -1.26 -4.81 113.70 117.42 3hk9 s SER 62 Ca 0.50 2.24 0.03 0.00 0.48 0.00 0.00 55.95 59.20 3hk9 s SER 62 Cb -0.20 -2.57 0.46 0.00 0.10 0.00 0.00 66.02 63.81 3hk9 s SER 62 CO 0.22 -2.35 1.76 -0.29 0.98 0.00 0.00 173.24 173.55 3hk9 h ILE 63 N -0.66 1.25 -0.44 -1.02 6.09 -1.96 -0.13 117.51 120.65 3hk9 h ILE 63 Ca -0.46 -1.15 -0.05 0.00 -1.37 0.00 0.00 64.86 61.83 3hk9 h ILE 63 Cb 1.28 1.25 -0.02 0.00 0.47 0.00 0.00 36.82 39.80 3hk9 h ILE 63 CO 0.49 0.37 0.09 -0.33 -3.07 0.00 0.00 178.15 175.69 3hk9 h GLU 64 N 0.44 0.71 -0.51 2.19 3.07 -1.92 -1.80 114.58 116.77 3hk9 h GLU 64 Ca 0.07 -0.18 -0.01 0.00 -0.50 0.00 0.00 59.36 58.74 3hk9 h GLU 64 Cb 0.58 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.38 3hk9 h GLU 64 CO 0.04 0.73 0.29 0.00 -1.40 0.00 0.00 179.01 178.67 3hk9 h ALA 65 N 0.95 0.65 -0.18 3.43 0.00 -1.81 -2.11 119.26 120.19 3hk9 h ALA 65 Ca 0.13 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.01 3hk9 h ALA 65 Cb 0.35 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 3hk9 h ALA 65 CO 0.01 0.15 -0.09 0.35 0.00 0.00 0.00 179.25 179.66 3hk9 h PHE 66 N 0.68 -0.22 0.00 0.00 3.57 -0.72 -0.84 116.94 119.39 3hk9 h PHE 66 Ca 0.18 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 3hk9 h PHE 66 Cb 0.02 0.13 -0.00 0.00 2.79 0.00 0.00 35.95 38.89 3hk9 h PHE 66 CO -0.02 -0.15 -0.04 -1.49 -2.23 0.00 0.00 178.31 174.38 3hk9 h TRP 67 N -0.08 0.00 0.00 0.41 -0.00 -1.13 -1.20 115.95 113.95 3hk9 h TRP 67 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.99 3hk9 h TRP 67 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.39 3hk9 h TRP 67 CO -0.24 0.04 0.00 0.00 -0.00 0.00 0.00 178.44 178.24 3hk9 h ALA 68 N 1.96 1.00 -2.36 1.49 0.00 -0.48 -3.46 119.26 117.41 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 0.09 0.00 0.09 0.00 0.00 0.00 0.00 17.79 17.97 3hk9 h ALA 68 CO 0.01 0.00 0.37 -1.64 0.00 0.00 0.00 179.25 177.99 3hk9 s MET 69 N -3.17 2.81 0.73 0.00 -1.94 -0.46 -5.05 119.30 112.23 3hk9 s MET 69 Ca 0.09 0.84 -0.12 0.00 -1.71 0.00 0.00 55.69 54.79 3hk9 s MET 69 Cb 0.11 -1.98 0.03 0.00 2.01 0.00 0.00 34.83 35.00 3hk9 s MET 69 CO 0.57 -1.16 1.11 -1.54 -0.01 0.00 0.00 175.02 174.00 3hk9 s SER 70 N -3.89 5.18 0.23 3.03 1.04 -1.26 -4.82 113.70 113.22 3hk9 s SER 70 Ca 0.58 1.08 -0.06 0.00 0.48 0.00 0.00 55.95 58.03 3hk9 s SER 70 Cb -0.14 -1.81 0.36 0.00 0.10 0.00 0.00 66.02 64.53 3hk9 s SER 70 CO 0.55 -1.50 1.79 0.50 0.98 0.00 0.00 173.24 175.55 3hk9 h LYS 71 N -0.77 0.65 -0.18 4.02 1.63 -1.96 -0.35 116.57 119.61 3hk9 h LYS 71 Ca -0.45 -0.04 -0.11 0.00 -0.85 0.00 0.00 60.65 59.19 3hk9 h LYS 71 Cb 1.27 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 32.74 3hk9 h LYS 71 CO 0.64 0.43 -0.38 -0.09 -3.45 0.00 0.00 179.45 176.60 3hk9 h ARG 72 N 0.67 0.39 -0.33 1.90 2.43 -1.94 -2.06 114.38 115.44 3hk9 h ARG 72 Ca 0.37 -0.19 -0.12 0.00 -0.81 0.00 0.00 59.98 59.23 3hk9 h ARG 72 Cb 0.37 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 3hk9 h ARG 72 CO -0.26 0.72 -0.30 0.93 -1.51 0.00 0.00 179.97 179.55 3hk9 h GLU 73 N 0.33 0.70 -0.28 0.20 5.08 -1.60 -1.44 114.58 117.56 3hk9 h GLU 73 Ca 0.03 -0.31 -0.07 0.00 -1.00 0.00 0.00 59.36 58.02 3hk9 h GLU 73 Cb 0.83 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 3hk9 h GLU 73 CO 0.07 0.91 -0.08 1.96 -1.00 0.00 0.00 179.01 180.86 3hk9 h GLN 74 N 0.59 0.56 -0.85 2.33 4.20 -0.92 -1.59 115.11 119.43 3hk9 h GLN 74 Ca 0.07 -0.22 0.00 0.00 0.06 0.00 0.00 58.65 58.56 3hk9 h GLN 74 Cb 0.80 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.51 3hk9 h GLN 74 CO 0.07 0.77 0.55 0.00 -0.67 0.00 0.00 178.83 179.54 3hk9 h ALA 75 N 0.77 1.08 -0.66 3.87 0.00 -1.27 0.11 119.26 123.17 3hk9 h ALA 75 Ca 0.07 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3hk9 h ALA 75 Cb 0.57 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3hk9 h ALA 75 CO 0.03 0.51 0.11 -0.44 0.00 0.00 0.00 179.25 179.46 3hk9 h ASP 76 N 1.16 1.04 0.21 0.00 3.32 -1.13 -0.44 116.42 120.58 3hk9 h ASP 76 Ca 0.31 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 3hk9 h ASP 76 Cb -0.10 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.18 3hk9 h ASP 76 CO -0.06 1.03 -0.10 0.25 -1.72 0.00 0.00 179.24 178.64 3hk9 h LEU 77 N 1.02 -0.24 -0.79 1.55 5.85 -0.50 -1.42 115.31 120.78 3hk9 h LEU 77 Ca 0.20 -0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.78 3hk9 h LEU 77 Cb 0.44 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.48 3hk9 h LEU 77 CO 0.01 0.05 0.50 0.40 -0.34 0.00 0.00 178.44 179.06 3hk9 h ILE 78 N -0.54 1.13 -0.77 4.05 2.04 -0.75 0.14 117.51 122.81 3hk9 h ILE 78 Ca -0.03 -0.34 -0.02 0.00 1.00 0.00 0.00 64.86 65.47 3hk9 h ILE 78 Cb 0.40 0.05 -0.04 0.00 -0.74 0.00 0.00 36.82 36.50 3hk9 h ILE 78 CO 0.05 0.18 0.41 -0.25 0.00 0.00 0.00 178.15 178.53 3hk9 h TRP 79 N 0.99 1.07 -0.18 1.37 2.91 -1.05 0.83 115.95 121.89 3hk9 h TRP 79 Ca 0.31 -0.03 -0.08 0.00 1.13 0.00 0.00 58.89 60.22 3hk9 h TRP 79 Cb 0.00 -0.34 -0.00 0.00 -0.51 0.00 0.00 29.16 28.31 3hk9 h TRP 79 CO -0.03 0.76 -0.20 1.49 -1.03 0.00 0.00 178.44 179.43 3hk9 h GLU 80 N 1.07 0.45 -0.12 2.65 4.57 -0.59 -2.07 114.58 120.53 3hk9 h GLU 80 Ca 0.27 -0.25 -0.12 0.00 -1.18 0.00 0.00 59.36 58.09 3hk9 h GLU 80 Cb 0.06 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 3hk9 h GLU 80 CO -0.04 0.82 -0.38 0.93 -1.18 0.00 0.00 179.01 179.16 3hk9 h GLU 81 N 0.10 0.47 0.00 1.92 4.39 -0.61 -1.28 114.58 119.58 3hk9 h GLU 81 Ca 0.03 -0.34 0.00 0.00 0.34 0.00 0.00 59.36 59.38 3hk9 h GLU 81 Cb 0.75 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.46 3hk9 h GLU 81 CO 0.05 0.97 -1.06 1.28 -1.16 0.00 0.00 179.01 179.08 3hk9 n LEU 82 N -4.33 0.64 -0.03 1.33 4.77 0.27 -3.85 117.00 115.81 3hk9 n LEU 82 Ca -0.07 -0.14 -0.03 0.00 -0.03 0.00 0.00 56.01 55.73 3hk9 n LEU 82 Cb 0.53 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.51 3hk9 n LEU 82 CO 0.44 0.10 -0.67 0.49 -1.33 0.00 0.00 177.39 176.42 3hk9 n PHE 83 N -1.83 0.00 -0.10 -1.77 3.72 -0.81 -3.30 117.46 113.38 3hk9 n PHE 83 Ca 0.02 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.19 3hk9 n PHE 83 Cb 0.41 -0.21 -0.12 0.00 -0.94 0.00 0.00 39.48 38.63 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 -2.57 1.57 0.20 4.37 2.08 -1.05 -4.31 119.36 119.65 3hk9 n ILE 84 Ca -0.09 -0.18 0.08 0.00 0.56 0.00 0.00 62.75 63.11 3hk9 n ILE 84 Cb 0.61 -1.96 0.37 0.00 -0.75 0.00 0.00 39.64 37.91 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 -0.83 0.00 -3.29 0.38 1.57 -1.39 -3.44 116.57 109.57 3hk9 h LYS 85 Ca -0.42 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.21 3hk9 h LYS 85 Cb 1.47 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 33.55 3hk9 h LYS 85 CO -0.20 0.29 -0.44 1.03 -0.57 0.00 0.00 179.45 179.56 3hk9 s ARG 86 N -3.54 0.43 0.31 3.15 3.00 -1.25 -5.06 118.95 115.98 3hk9 s ARG 86 Ca 0.01 -0.07 -0.29 0.00 0.00 0.00 0.00 55.73 55.38 3hk9 s ARG 86 Cb 0.10 0.19 -0.11 0.00 0.00 0.00 0.00 34.95 35.13 3hk9 s ARG 86 CO 0.66 -0.09 1.45 -1.12 0.00 0.00 0.00 175.30 176.20 3hk9 s SER 87 N -0.75 6.54 -1.10 0.23 0.01 -1.26 -3.39 113.70 113.98 3hk9 s SER 87 Ca -0.08 2.83 -0.10 0.00 1.31 0.00 0.00 55.95 59.90 3hk9 s SER 87 Cb -0.05 -2.64 -0.07 0.00 0.21 0.00 0.00 66.02 63.47 3hk9 s SER 87 CO 0.02 -0.75 2.29 -0.81 0.41 0.00 0.00 173.24 174.39 3hk9 n PRO 88 N 1.49 2.43 0.11 12.44 -0.04 -1.21 -4.62 135.00 145.61 3hk9 n PRO 88 Ca 0.04 -1.79 0.12 0.00 -0.04 0.00 0.00 63.50 61.83 3hk9 n PRO 88 Cb 0.40 -2.68 0.17 0.00 -0.04 0.00 0.00 33.50 31.34 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 3.56 0.00 -4.28 0.52 -1.51 -1.89 -3.29 116.25 109.36 3hk9 h VAL 89 Ca 0.58 -0.72 -0.52 0.00 -1.23 0.00 0.00 66.70 64.81 3hk9 h VAL 89 Cb 0.31 1.43 0.18 0.00 -2.13 0.00 0.00 31.29 31.08 3hk9 h VAL 89 CO 1.65 0.00 0.25 -0.94 -1.23 0.00 0.00 177.57 177.30 3hk9 s SER 90 N -4.95 3.29 0.16 4.19 1.04 -1.26 -4.75 113.70 111.42 3hk9 s SER 90 Ca 0.05 2.12 -0.14 0.00 0.48 0.00 0.00 55.95 58.47 3hk9 s SER 90 Cb 0.11 -2.56 0.05 0.00 0.10 0.00 0.00 66.02 63.72 3hk9 s SER 90 CO 0.71 -2.86 1.76 -0.08 0.98 0.00 0.00 173.24 173.75 3hk9 h GLU 91 N -1.66 0.74 -0.43 4.02 4.57 -1.97 -0.49 114.58 119.35 3hk9 h GLU 91 Ca -0.43 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 57.65 3hk9 h GLU 91 Cb 1.26 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 29.69 3hk9 h GLU 91 CO 0.44 0.60 0.28 0.00 -1.18 0.00 0.00 179.01 179.14 3hk9 h ALA 92 N 1.11 0.54 -0.46 2.92 0.00 -1.95 -0.28 119.26 121.14 3hk9 h ALA 92 Ca 0.18 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 3hk9 h ALA 92 Cb 0.08 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3hk9 h ALA 92 CO -0.03 0.01 -0.14 0.00 0.00 0.00 0.00 179.25 179.09 3hk9 h ARG 94 N 0.75 1.11 -0.09 0.00 2.43 -0.93 -2.49 114.38 115.16 3hk9 h ARG 94 Ca 0.11 -0.07 0.03 0.00 -0.81 0.00 0.00 59.98 59.25 3hk9 h ARG 94 Cb 0.70 -0.25 -0.04 0.00 -0.42 0.00 0.00 29.97 29.96 3hk9 h ARG 94 CO 0.05 0.73 -0.12 0.78 -1.51 0.00 0.00 179.97 179.90 3hk9 h GLY 95 N 1.14 -0.07 0.28 2.80 0.00 -0.60 -0.78 103.07 105.84 3hk9 h GLY 95 Ca 0.35 0.15 0.11 0.00 0.00 0.00 0.00 47.33 47.94 3hk9 h GLY 95 CO -0.10 -0.13 0.22 -2.08 0.00 0.00 0.00 176.54 174.45 3hk9 h VAL 96 N -0.17 0.71 -0.37 4.60 2.07 -1.21 -0.98 116.25 120.91 3hk9 h VAL 96 Ca 0.08 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.47 3hk9 h VAL 96 Cb 0.27 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 3hk9 h VAL 96 CO -0.19 0.07 0.24 -0.07 0.02 0.00 0.00 177.57 177.64 3hk9 h LEU 97 N 0.38 0.43 -1.25 2.57 3.38 -1.18 -1.31 115.31 118.32 3hk9 h LEU 97 Ca 0.33 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.33 3hk9 h LEU 97 Cb 0.46 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 3hk9 h LEU 97 CO -0.35 0.32 0.52 0.74 0.09 0.00 0.00 178.44 179.76 3hk9 h THR 98 N 0.50 1.11 -0.00 0.22 2.02 -0.28 -0.49 112.91 115.98 3hk9 h THR 98 Ca 0.14 -0.33 -0.00 0.00 0.77 0.00 0.00 66.41 66.99 3hk9 h THR 98 Cb -0.05 0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 66.43 3hk9 h THR 98 CO -0.03 0.17 0.00 0.00 0.37 0.00 0.00 175.52 176.04 3hk9 h LEU 100 N -0.19 -0.73 -0.47 0.00 3.38 -0.64 -2.40 115.31 114.26 3hk9 h LEU 100 Ca 0.00 0.08 0.09 0.00 0.09 0.00 0.00 57.88 58.14 3hk9 h LEU 100 Cb 0.20 0.27 -0.08 0.00 0.09 0.00 0.00 40.66 41.14 3hk9 h LEU 100 CO -0.00 -0.36 0.01 -0.61 0.09 0.00 0.00 178.44 177.57 3hk9 h GLN 101 N -0.49 0.12 -0.15 1.13 4.15 -1.04 -0.42 115.11 118.40 3hk9 h GLN 101 Ca 0.02 -0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.48 3hk9 h GLN 101 Cb 0.50 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.16 3hk9 h GLN 101 CO -0.12 0.08 0.13 0.78 -1.93 0.00 0.00 178.83 177.76 3hk9 h GLY 102 N 0.12 0.00 0.12 2.39 0.00 -1.03 -0.20 103.07 104.46 3hk9 h GLY 102 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 3hk9 h GLY 102 CO -0.38 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.20 3hk9 n LEU 103 N -4.25 0.77 0.00 3.11 4.77 -0.23 -4.87 117.00 116.29 3hk9 n LEU 103 Ca 0.01 -0.29 0.00 0.00 -0.03 0.00 0.00 56.01 55.70 3hk9 n LEU 103 Cb 0.25 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 3hk9 n LEU 103 CO 0.32 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 3hk9 n GLY 104 N 1.03 0.70 3.82 -0.72 0.00 -0.09 -5.05 105.19 104.88 3hk9 n GLY 104 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 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 4.41 -0.39 0.99 1.43 -0.80 -4.99 118.68 119.33 3hk9 s LEU 105 Ca 0.00 1.35 -0.12 0.00 -1.03 0.00 0.00 54.13 54.33 3hk9 s LEU 105 Cb 0.00 -3.36 0.03 0.00 0.03 0.00 0.00 46.19 42.89 3hk9 s LEU 105 CO 0.00 0.11 0.24 -0.62 0.23 0.00 0.00 176.35 176.31 3hk9 s ASP 106 N -1.50 5.86 0.59 2.29 2.15 -1.26 -3.09 116.67 121.71 3hk9 s ASP 106 Ca 0.38 -0.96 0.33 0.00 0.43 0.00 0.00 52.55 52.73 3hk9 s ASP 106 Cb -0.18 -2.07 1.83 0.00 -0.30 0.00 0.00 42.92 42.21 3hk9 s ASP 106 CO 0.21 -0.41 2.22 -0.65 -0.17 0.00 0.00 175.17 176.37 3hk9 h PRO 107 N 8.50 0.00 -0.87 4.34 0.11 -1.92 -2.74 132.00 139.42 3hk9 h PRO 107 Ca -0.26 0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.97 3hk9 h PRO 107 Cb 1.11 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.15 3hk9 h PRO 107 CO 0.69 0.04 0.56 0.00 -0.21 0.00 0.00 178.00 179.08 3hk9 h ALA 108 N 1.96 1.77 0.00 -0.75 0.00 -2.01 -1.03 119.26 119.21 3hk9 h ALA 108 Ca -0.00 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 3hk9 h ALA 108 Cb 0.13 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3hk9 h ALA 108 CO 0.00 0.02 -0.57 1.79 0.00 0.00 0.00 179.25 180.49 3hk9 h THR 109 N 0.75 1.05 -3.60 0.00 1.35 -1.92 -3.47 112.91 107.07 3hk9 h THR 109 Ca 0.42 -2.30 -0.41 0.00 -0.55 0.00 0.00 66.41 63.58 3hk9 h THR 109 Cb 0.58 2.39 0.01 0.00 -1.73 0.00 0.00 68.15 69.40 3hk9 h THR 109 CO -0.18 0.56 -0.56 0.54 -0.25 0.00 0.00 175.52 175.63 3hk9 n ARG 110 N -3.34 -2.90 -2.97 4.72 1.74 -0.39 -4.90 116.66 108.63 3hk9 n ARG 110 Ca 0.01 0.96 -0.44 0.00 -0.77 0.00 0.00 57.85 57.61 3hk9 n ARG 110 Cb 0.72 -5.70 -0.00 0.00 -1.02 0.00 0.00 32.46 26.46 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 -2.30 7.02 0.29 0.55 -1.08 -1.26 -4.87 116.67 115.03 3hk9 s ASP 111 Ca 0.12 -2.90 -0.01 0.00 -0.52 0.00 0.00 52.55 49.24 3hk9 s ASP 111 Cb -0.05 -2.39 0.47 0.00 -1.46 0.00 0.00 42.92 39.49 3hk9 s ASP 111 CO 0.14 -0.76 1.91 0.25 0.52 0.00 0.00 175.17 177.23 3hk9 h LEU 112 N 9.65 0.96 -0.59 -1.34 5.85 -1.97 -1.56 115.31 126.30 3hk9 h LEU 112 Ca 0.29 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.95 3hk9 h LEU 112 Cb 0.89 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 3hk9 h LEU 112 CO 1.21 0.63 0.16 1.56 -0.34 0.00 0.00 178.44 181.66 3hk9 h GLN 113 N 1.10 0.94 -0.77 1.25 1.08 -2.00 -1.44 115.11 115.27 3hk9 h GLN 113 Ca 0.39 -0.22 -0.04 0.00 -1.45 0.00 0.00 58.65 57.33 3hk9 h GLN 113 Cb 0.12 -0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 27.39 3hk9 h GLN 113 CO -0.14 0.86 0.32 0.28 -0.95 0.00 0.00 178.83 179.21 3hk9 h VAL 114 N 0.85 1.25 -0.85 -0.54 2.07 -1.83 -2.05 116.25 115.16 3hk9 h VAL 114 Ca 0.19 -0.77 -0.02 0.00 0.82 0.00 0.00 66.70 66.92 3hk9 h VAL 114 Cb 0.33 0.31 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 3hk9 h VAL 114 CO -0.00 0.32 0.44 1.88 0.02 0.00 0.00 177.57 180.22 3hk9 h TYR 115 N 1.11 1.19 -0.34 1.57 0.05 -0.90 -2.52 116.97 117.13 3hk9 h TYR 115 Ca 0.26 -0.04 -0.05 0.00 0.05 0.00 0.00 58.73 58.94 3hk9 h TYR 115 Cb 0.18 -0.38 -0.02 0.00 1.01 0.00 0.00 36.73 37.53 3hk9 h TYR 115 CO 0.02 0.85 -0.02 0.00 -1.05 0.00 0.00 178.16 177.96 3hk9 h ARG 116 N 1.20 0.54 -0.30 4.88 3.08 -0.61 -2.58 114.38 120.59 3hk9 h ARG 116 Ca 0.30 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 60.21 3hk9 h ARG 116 Cb 0.07 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 3hk9 h ARG 116 CO -0.04 0.58 0.11 0.93 -1.07 0.00 0.00 179.97 180.47 3hk9 h GLU 117 N 0.51 0.42 0.29 0.04 5.08 -0.94 -2.44 114.58 117.55 3hk9 h GLU 117 Ca 0.11 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3hk9 h GLU 117 Cb 0.36 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 3hk9 h GLU 117 CO 0.01 0.36 -0.35 -0.92 -1.00 0.00 0.00 179.01 177.12 3hk9 h TYR 118 N 0.42 -0.94 -0.46 4.33 3.20 -1.42 -3.12 116.97 118.98 3hk9 h TYR 118 Ca 0.10 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.89 3hk9 h TYR 118 Cb 0.11 0.37 -0.01 0.00 1.54 0.00 0.00 36.73 38.74 3hk9 h TYR 118 CO 0.00 -0.48 -0.08 0.74 -1.64 0.00 0.00 178.16 176.71 3hk9 h PHE 119 N -0.68 0.96 -1.01 -3.82 0.04 -1.62 -3.20 116.94 107.61 3hk9 h PHE 119 Ca -0.01 -0.19 0.25 0.00 2.80 0.00 0.00 57.97 60.82 3hk9 h PHE 119 Cb 0.64 -0.24 -0.08 0.00 2.20 0.00 0.00 35.95 38.47 3hk9 h PHE 119 CO -0.23 0.94 0.66 0.00 -0.60 0.00 0.00 178.31 179.08 3hk9 h ALA 120 N 0.88 2.28 -0.72 2.45 0.00 -1.40 -1.48 119.26 121.29 3hk9 h ALA 120 Ca 0.12 0.04 -0.42 0.00 0.00 0.00 0.00 54.91 54.65 3hk9 h ALA 120 Cb 0.61 0.01 -0.22 0.00 0.00 0.00 0.00 17.79 18.19 3hk9 h ALA 120 CO 0.04 -0.65 0.54 0.36 0.00 0.00 0.00 179.25 179.54 3hk9 n LYS 121 N -4.56 2.02 -4.06 0.00 2.85 -1.19 -4.91 118.16 108.31 3hk9 n LYS 121 Ca 0.23 -2.24 -0.08 0.00 -1.05 0.00 0.00 58.31 55.17 3hk9 n LYS 121 Cb 0.84 -1.88 -0.09 0.00 -0.65 0.00 0.00 35.03 33.25 3hk9 n LYS 121 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 3hk9 s LYS 122 N -2.52 0.80 0.50 -1.58 1.02 -0.56 -5.10 119.74 112.30 3hk9 s LYS 122 Ca 0.43 -1.25 0.08 0.00 0.02 0.00 0.00 55.97 55.25 3hk9 s LYS 122 Cb 0.35 0.26 0.04 0.00 -0.52 0.00 0.00 37.83 37.96 3hk9 s LYS 122 CO 0.05 -0.21 0.58 0.95 -0.92 0.00 0.00 175.35 175.79 3hk9 s THR 123 N -3.96 2.39 0.04 2.17 -4.23 -1.26 -5.00 115.64 105.79 3hk9 s THR 123 Ca 0.13 -1.16 -0.21 0.00 -1.18 0.00 0.00 61.69 59.28 3hk9 s THR 123 Cb 0.07 -2.54 -0.14 0.00 1.34 0.00 0.00 72.50 71.22 3hk9 s THR 123 CO -0.05 0.00 1.35 0.28 -0.54 0.00 0.00 174.62 175.66 3hk9 h SER 124 N 0.57 0.34 -0.41 3.99 0.02 -1.97 -2.17 113.55 113.92 3hk9 h SER 124 Ca -0.36 -0.46 -0.00 0.00 -0.84 0.00 0.00 61.79 60.12 3hk9 h SER 124 Cb 1.28 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.71 3hk9 h SER 124 CO 0.48 0.74 0.25 -0.33 -1.14 0.00 0.00 176.83 176.83 3hk9 h GLU 125 N -0.04 0.58 -0.26 3.45 3.07 -1.96 -1.17 114.58 118.24 3hk9 h GLU 125 Ca 0.02 -0.05 -0.20 0.00 -0.50 0.00 0.00 59.36 58.64 3hk9 h GLU 125 Cb 0.63 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.42 3hk9 h GLU 125 CO 0.03 0.42 -0.60 0.93 -1.40 0.00 0.00 179.01 178.39 3hk9 h GLU 126 N 0.59 0.87 -0.22 2.33 5.08 -1.94 -2.77 114.58 118.52 3hk9 h GLU 126 Ca 0.16 -0.59 -0.11 0.00 -1.00 0.00 0.00 59.36 57.82 3hk9 h GLU 126 Cb -0.01 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3hk9 h GLU 126 CO -0.03 1.21 -0.33 0.37 -1.00 0.00 0.00 179.01 179.23 3hk9 h GLN 127 N 0.65 0.47 -0.36 2.33 5.75 -0.82 -2.07 115.11 121.06 3hk9 h GLN 127 Ca -0.00 -0.21 -0.10 0.00 -0.15 0.00 0.00 58.65 58.19 3hk9 h GLN 127 Cb 1.22 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.74 3hk9 h GLN 127 CO 0.13 0.75 -0.16 -0.39 -2.65 0.00 0.00 178.83 176.51 3hk9 h VAL 128 N 0.40 1.28 -0.51 2.39 -1.51 -1.23 0.25 116.25 117.33 3hk9 h VAL 128 Ca 0.05 -1.28 -0.00 0.00 -1.23 0.00 0.00 66.70 64.24 3hk9 h VAL 128 Cb 0.78 1.34 -0.02 0.00 -2.13 0.00 0.00 31.29 31.25 3hk9 h VAL 128 CO 0.06 0.42 0.31 0.44 -1.23 0.00 0.00 177.57 177.57 3hk9 h ASP 129 N 0.54 0.62 0.15 4.19 3.32 -1.38 0.96 116.42 124.82 3hk9 h ASP 129 Ca 0.08 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 3hk9 h ASP 129 Cb 0.70 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.09 3hk9 h ASP 129 CO 0.05 0.50 -0.07 0.74 -1.72 0.00 0.00 179.24 178.73 3hk9 h THR 130 N 0.69 0.93 0.17 0.35 2.02 -1.19 -2.26 112.91 113.61 3hk9 h THR 130 Ca 0.18 -0.33 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 3hk9 h THR 130 Cb -0.01 1.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.54 3hk9 h THR 130 CO -0.03 0.08 -0.08 0.58 0.37 0.00 0.00 175.52 176.43 3hk9 h VAL 131 N -0.36 0.90 -0.03 3.16 2.07 -0.33 0.30 116.25 121.97 3hk9 h VAL 131 Ca -0.02 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 67.23 3hk9 h VAL 131 Cb 0.28 1.07 -0.00 0.00 -1.52 0.00 0.00 31.29 31.12 3hk9 h VAL 131 CO 0.03 0.07 0.02 -0.07 0.02 0.00 0.00 177.57 177.64 3hk9 h LEU 132 N -0.36 0.00 -0.03 2.57 3.38 -0.88 0.13 115.31 120.11 3hk9 h LEU 132 Ca -0.02 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.83 3hk9 h LEU 132 Cb 0.28 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.04 3hk9 h LEU 132 CO 0.04 0.00 -0.44 -0.61 0.09 0.00 0.00 178.44 177.52 3hk9 h GLN 133 N 0.00 0.35 -0.52 1.13 -0.00 -1.04 -0.66 115.11 114.37 3hk9 h GLN 133 Ca 0.01 -0.34 -0.11 0.00 -0.00 0.00 0.00 58.65 58.22 3hk9 h GLN 133 Cb 0.06 0.08 -0.02 0.00 0.00 0.00 0.00 27.48 27.60 3hk9 h GLN 133 CO -0.00 1.00 -0.09 -0.07 0.00 0.00 0.00 178.83 179.67 3hk9 h LEU 134 N -0.17 0.96 -0.72 -2.39 3.38 -0.14 -2.87 115.31 113.36 3hk9 h LEU 134 Ca -0.05 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.62 3hk9 h LEU 134 Cb 1.13 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.62 3hk9 h LEU 134 CO 0.09 1.07 -0.07 0.00 0.09 0.00 0.00 178.44 179.62 3hk9 n ALA 135 N -2.49 2.72 -3.78 1.53 0.00 0.36 -4.94 120.51 113.91 3hk9 n ALA 135 Ca 0.02 -0.40 -0.23 0.00 0.00 0.00 0.00 53.44 52.83 3hk9 n ALA 135 Cb 0.38 -1.20 0.02 0.00 0.00 0.00 0.00 19.45 18.65 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 -0.20 -0.98 -4.40 0.00 5.15 -0.46 -4.83 115.26 109.53 3hk9 n ASN 136 Ca 0.17 -0.87 -0.37 0.00 -0.60 0.00 0.00 54.58 52.91 3hk9 n ASN 136 Cb 0.33 -3.76 -0.13 0.00 -0.53 0.00 0.00 39.78 35.69 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 -3.74 4.14 -0.11 3.44 1.01 -0.38 -0.91 120.40 123.84 3hk9 s VAL 137 Ca 0.02 -0.37 0.16 0.00 0.00 0.00 0.00 61.98 61.79 3hk9 s VAL 137 Cb -0.01 -3.00 -0.16 0.00 0.00 0.00 0.00 36.38 33.21 3hk9 s VAL 137 CO 0.83 0.25 0.74 -1.54 0.00 0.00 0.00 175.10 175.39 3hk9 n SER 138 N 4.90 0.78 -3.82 3.32 3.41 0.08 -4.75 113.62 117.55 3hk9 n SER 138 Ca -0.16 0.35 -0.13 0.00 -0.26 0.00 0.00 58.87 58.66 3hk9 n SER 138 Cb 0.50 0.25 -0.15 0.00 -0.26 0.00 0.00 64.21 64.55 3hk9 n SER 138 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3hk9 s ASP 139 N -5.76 0.03 -0.11 4.04 1.01 -1.05 -4.73 116.67 110.11 3hk9 s ASP 139 Ca -0.04 0.03 0.03 0.00 0.71 0.00 0.00 52.55 53.29 3hk9 s ASP 139 Cb 0.09 -0.02 0.01 0.00 1.01 0.00 0.00 42.92 44.00 3hk9 s ASP 139 CO 0.82 -0.07 -0.21 -0.69 0.21 0.00 0.00 175.17 175.23 3hk9 s VAL 140 N 0.55 1.89 -0.25 -1.27 1.01 0.00 -0.63 120.40 121.70 3hk9 s VAL 140 Ca -0.05 -0.90 -0.11 0.00 0.00 0.00 0.00 61.98 60.92 3hk9 s VAL 140 Cb -0.07 -1.66 -0.05 0.00 0.00 0.00 0.00 36.38 34.61 3hk9 s VAL 140 CO -0.02 0.52 0.18 -0.69 0.00 0.00 0.00 175.10 175.09 3hk9 s VAL 141 N 0.59 5.34 0.70 2.92 1.01 -0.26 0.55 120.40 131.26 3hk9 s VAL 141 Ca -0.14 0.20 -0.04 0.00 0.00 0.00 0.00 61.98 62.01 3hk9 s VAL 141 Cb -0.17 -3.52 0.10 0.00 0.00 0.00 0.00 36.38 32.79 3hk9 s VAL 141 CO 0.04 0.32 0.99 -0.04 0.00 0.00 0.00 175.10 176.41 3hk9 s MET 142 N 1.21 1.90 -0.33 2.72 -1.94 0.15 -1.45 119.30 121.56 3hk9 s MET 142 Ca 0.08 -0.73 0.03 0.00 -1.71 0.00 0.00 55.69 53.36 3hk9 s MET 142 Cb -0.14 -2.27 0.09 0.00 2.01 0.00 0.00 34.83 34.52 3hk9 s MET 142 CO 0.06 -1.33 0.04 0.99 -0.01 0.00 0.00 175.02 174.77 3hk9 s THR 143 N -3.17 2.41 -0.35 2.05 2.01 -1.16 -3.27 115.64 114.17 3hk9 s THR 143 Ca 0.63 -2.15 -0.11 0.00 0.31 0.00 0.00 61.69 60.38 3hk9 s THR 143 Cb -0.08 -2.69 0.01 0.00 0.01 0.00 0.00 72.50 69.76 3hk9 s THR 143 CO 0.44 -0.49 0.19 0.20 -0.69 0.00 0.00 174.62 174.27 3hk9 s ASN 144 N 1.06 5.71 -0.55 3.53 -0.87 -0.14 -4.95 114.94 118.73 3hk9 s ASN 144 Ca 0.06 -0.75 -0.16 0.00 -1.57 0.00 0.00 52.86 50.44 3hk9 s ASN 144 Cb -0.20 -2.03 0.13 0.00 -0.02 0.00 0.00 41.25 39.13 3hk9 s ASN 144 CO -0.07 -0.30 0.53 -0.62 -2.57 0.00 0.00 177.10 174.07 3hk9 s ASP 145 N 1.60 6.21 0.01 -1.22 2.15 -1.26 -1.67 116.67 122.49 3hk9 s ASP 145 Ca 0.04 -1.79 0.05 0.00 0.43 0.00 0.00 52.55 51.28 3hk9 s ASP 145 Cb -0.18 -2.22 0.21 0.00 -0.30 0.00 0.00 42.92 40.43 3hk9 s ASP 145 CO 0.07 -0.88 1.15 -0.81 -0.17 0.00 0.00 175.17 174.54 3hk9 n PRO 146 N 5.31 0.01 0.00 4.34 -0.04 -1.26 -1.28 135.00 142.08 3hk9 n PRO 146 Ca -0.13 0.44 0.12 0.00 -0.04 0.00 0.00 63.50 63.89 3hk9 n PRO 146 Cb 0.40 -1.52 0.27 0.00 -0.04 0.00 0.00 33.50 32.62 3hk9 n PRO 146 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3hk9 n PHE 147 N -1.53 0.00 -3.16 0.54 3.72 -1.26 -4.59 117.46 111.18 3hk9 n PHE 147 Ca 0.01 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.00 3hk9 n PHE 147 Cb 0.05 -0.17 -0.07 0.00 -0.94 0.00 0.00 39.48 38.35 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 -2.76 6.46 0.24 4.37 2.15 -0.40 -4.95 116.67 121.77 3hk9 s ASP 148 Ca 0.17 0.39 -0.06 0.00 0.43 0.00 0.00 52.55 53.48 3hk9 s ASP 148 Cb 0.18 -2.31 0.43 0.00 -0.30 0.00 0.00 42.92 40.92 3hk9 s ASP 148 CO 0.63 -0.43 1.68 0.44 -0.17 0.00 0.00 175.17 177.32 3hk9 h ASP 149 N 8.18 -0.03 0.11 -0.34 3.32 -1.86 0.30 116.42 126.10 3hk9 h ASP 149 Ca -0.27 0.15 -0.06 0.00 0.02 0.00 0.00 57.03 56.86 3hk9 h ASP 149 Cb 1.12 0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.87 3hk9 h ASP 149 CO 0.78 -0.05 -0.21 0.78 -1.72 0.00 0.00 179.24 178.82 3hk9 h ASN 150 N 0.25 0.19 0.10 6.45 2.35 -1.94 -2.33 115.58 120.65 3hk9 h ASN 150 Ca 0.40 -0.05 -0.15 0.00 -0.55 0.00 0.00 56.30 55.95 3hk9 h ASN 150 Cb 0.67 -0.05 0.01 0.00 0.05 0.00 0.00 38.32 39.01 3hk9 h ASN 150 CO -0.51 0.41 -0.67 -0.33 -1.65 0.00 0.00 177.43 174.68 3hk9 h GLU 151 N 0.18 0.22 -0.78 0.81 5.08 -1.50 -3.31 114.58 115.28 3hk9 h GLU 151 Ca 0.03 -0.37 0.07 0.00 -1.00 0.00 0.00 59.36 58.10 3hk9 h GLU 151 Cb 0.48 0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.81 3hk9 h GLU 151 CO 0.03 1.18 0.51 -0.09 -1.00 0.00 0.00 179.01 179.64 3hk9 h ARG 152 N -0.53 0.77 -0.71 2.33 2.43 -0.95 -2.19 114.38 115.53 3hk9 h ARG 152 Ca -0.13 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 58.93 3hk9 h ARG 152 Cb 1.49 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 30.84 3hk9 h ARG 152 CO 0.10 0.51 0.19 0.82 -1.51 0.00 0.00 179.97 180.08 3hk9 h ILE 153 N 0.79 1.26 -0.64 1.20 2.04 -1.54 -0.71 117.51 119.92 3hk9 h ILE 153 Ca 0.34 -0.94 0.00 0.00 1.00 0.00 0.00 64.86 65.26 3hk9 h ILE 153 Cb 0.31 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 3hk9 h ILE 153 CO -0.12 0.37 0.41 0.28 0.00 0.00 0.00 178.15 179.08 3hk9 h SER 154 N 1.07 0.75 -0.39 1.72 0.02 -1.48 0.02 113.55 115.25 3hk9 h SER 154 Ca 0.23 -0.04 -0.09 0.00 -0.84 0.00 0.00 61.79 61.05 3hk9 h SER 154 Cb 0.35 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 3hk9 h SER 154 CO -0.00 0.56 -0.12 -0.50 -1.14 0.00 0.00 176.83 175.63 3hk9 h TRP 155 N 0.87 0.87 -0.36 3.45 4.06 -1.34 0.16 115.95 123.66 3hk9 h TRP 155 Ca 0.23 -0.20 -0.04 0.00 2.06 0.00 0.00 58.89 60.95 3hk9 h TRP 155 Cb -0.07 -0.21 -0.02 0.00 -1.00 0.00 0.00 29.16 27.86 3hk9 h TRP 155 CO -0.02 0.91 0.06 -0.07 -3.56 0.00 0.00 178.44 175.76 3hk9 h LEU 156 N 0.57 0.50 0.00 -4.49 3.38 -0.78 -0.83 115.31 113.66 3hk9 h LEU 156 Ca 0.10 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3hk9 h LEU 156 Cb 0.65 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.27 3hk9 h LEU 156 CO 0.04 0.53 0.00 -0.62 0.09 0.00 0.00 178.44 178.48 3hk9 n GLU 157 N -4.32 0.85 -0.61 1.13 1.02 -0.04 -4.85 120.64 113.82 3hk9 n GLU 157 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 3hk9 n GLU 157 Cb 0.21 -1.36 0.00 0.00 -0.02 0.00 0.00 31.44 30.27 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 0.60 0.67 3.73 0.62 0.00 -0.32 -5.03 105.19 105.46 3hk9 n GLY 158 Ca 0.15 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.71 4.22 0.02 1.61 -0.14 0.03 -5.01 119.74 119.76 3hk9 s LYS 159 Ca 0.00 2.38 0.08 0.00 -1.36 0.00 0.00 55.97 57.07 3hk9 s LYS 159 Cb 0.00 -3.11 -0.02 0.00 -1.68 0.00 0.00 37.83 33.01 3hk9 s LYS 159 CO 0.00 -0.54 -0.24 -0.65 -0.76 0.00 0.00 175.35 173.16 3hk9 s GLN 160 N 0.25 1.79 0.38 1.68 -1.52 -1.26 -4.63 119.66 116.35 3hk9 s GLN 160 Ca 0.65 -0.98 -0.24 0.00 -1.95 0.00 0.00 55.36 52.84 3hk9 s GLN 160 Cb -0.44 -1.86 -0.10 0.00 -0.22 0.00 0.00 33.01 30.40 3hk9 s GLN 160 CO 0.39 0.49 0.99 -2.14 -0.25 0.00 0.00 175.29 174.77 3hk9 s PRO 161 N -0.95 4.34 0.92 2.91 0.02 -1.26 -4.94 135.00 136.04 3hk9 s PRO 161 Ca 0.10 1.36 -0.12 0.00 0.02 0.00 0.00 61.00 62.36 3hk9 s PRO 161 Cb -0.09 -2.57 0.14 0.00 0.02 0.00 0.00 34.50 31.99 3hk9 s PRO 161 CO 0.01 0.05 1.09 0.16 -0.33 0.00 0.00 177.00 177.98 3hk9 s ASP 162 N -1.71 3.32 0.65 2.53 1.47 -1.26 -4.85 116.67 116.82 3hk9 s ASP 162 Ca 0.56 1.40 0.19 0.00 1.18 0.00 0.00 52.55 55.87 3hk9 s ASP 162 Cb -0.18 -2.07 0.94 0.00 -0.34 0.00 0.00 42.92 41.27 3hk9 s ASP 162 CO 0.23 -2.72 1.51 -1.28 0.68 0.00 0.00 175.17 173.59 3hk9 h SER 163 N -1.61 0.00 1.30 2.11 0.87 -2.01 -0.91 113.55 113.30 3hk9 h SER 163 Ca -0.51 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.04 3hk9 h SER 163 Cb 1.29 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.25 3hk9 h SER 163 CO 0.56 0.00 -0.71 0.03 -0.53 0.00 0.00 176.83 176.18 3hk9 h ARG 164 N 0.00 0.00 -5.27 2.24 3.08 -1.89 -3.46 114.38 109.08 3hk9 h ARG 164 Ca 0.09 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.51 3hk9 h ARG 164 Cb 1.49 0.00 -0.21 0.00 0.08 0.00 0.00 29.97 31.34 3hk9 h ARG 164 CO -0.00 0.05 -0.64 -0.06 -1.07 0.00 0.00 179.97 178.24 3hk9 s PHE 165 N -3.26 3.07 0.11 3.04 0.08 -0.35 -0.82 117.98 119.85 3hk9 s PHE 165 Ca 0.02 -0.24 0.08 0.00 0.12 0.00 0.00 56.93 56.90 3hk9 s PHE 165 Cb 0.08 -2.00 -0.04 0.00 -0.57 0.00 0.00 43.02 40.49 3hk9 s PHE 165 CO 0.75 -0.02 -0.12 -1.01 -0.10 0.00 0.00 175.22 174.72 3hk9 s HIS 166 N 0.45 2.69 0.21 0.36 3.76 0.19 -4.60 115.29 118.35 3hk9 s HIS 166 Ca -0.02 -0.18 -0.07 0.00 -0.15 0.00 0.00 55.06 54.64 3hk9 s HIS 166 Cb -0.14 -1.41 -0.06 0.00 1.11 0.00 0.00 32.58 32.08 3hk9 s HIS 166 CO 0.02 0.42 0.49 0.00 -0.85 0.00 0.00 174.74 174.82 3hk9 s ALA 167 N -1.22 3.66 -0.04 -1.40 0.00 -1.26 0.30 121.76 121.80 3hk9 s ALA 167 Ca 0.21 -0.44 -0.02 0.00 0.00 0.00 0.00 51.96 51.71 3hk9 s ALA 167 Cb -0.11 -2.29 0.03 0.00 0.00 0.00 0.00 23.12 20.75 3hk9 s ALA 167 CO 0.13 0.51 0.05 0.00 0.00 0.00 0.00 175.76 176.46 3hk9 s ALA 168 N -1.82 0.25 -0.62 0.00 0.00 -1.20 -0.21 121.76 118.16 3hk9 s ALA 168 Ca 0.44 0.18 -0.27 0.00 0.00 0.00 0.00 51.96 52.31 3hk9 s ALA 168 Cb -0.11 -0.60 0.01 0.00 0.00 0.00 0.00 23.12 22.42 3hk9 s ALA 168 CO 0.24 -0.46 1.42 -1.17 0.00 0.00 0.00 175.76 175.80 3hk9 s LEU 169 N 2.07 3.32 -0.06 0.00 2.96 -0.85 -0.96 118.68 125.15 3hk9 s LEU 169 Ca 0.04 0.06 -0.25 0.00 -0.22 0.00 0.00 54.13 53.76 3hk9 s LEU 169 Cb -0.12 -2.84 -0.03 0.00 0.50 0.00 0.00 46.19 43.70 3hk9 s LEU 169 CO -0.03 -1.83 0.77 -0.60 -1.32 0.00 0.00 176.35 173.34 3hk9 s ARG 170 N 5.76 4.45 -0.12 1.98 6.06 -0.67 -1.21 118.95 135.19 3hk9 s ARG 170 Ca 0.49 1.01 0.16 0.00 -2.50 0.00 0.00 55.73 54.89 3hk9 s ARG 170 Cb -0.10 -3.47 0.27 0.00 0.06 0.00 0.00 34.95 31.72 3hk9 s ARG 170 CO 0.21 -0.01 1.14 1.28 -2.50 0.00 0.00 175.30 175.43 3hk9 n LEU 171 N 3.97 2.13 -0.19 -0.88 4.77 -0.41 -4.41 117.00 121.97 3hk9 n LEU 171 Ca 0.01 -2.94 -0.03 0.00 -0.03 0.00 0.00 56.01 53.03 3hk9 n LEU 171 Cb 0.51 -0.39 0.04 0.00 -2.33 0.00 0.00 43.42 41.25 3hk9 n LEU 171 CO 0.48 0.72 0.70 0.44 -1.33 0.00 0.00 177.39 178.40 3hk9 h ASP 172 N 0.10 -0.79 -0.66 -1.43 5.19 -1.93 -1.04 116.42 115.86 3hk9 h ASP 172 Ca -0.00 0.20 0.04 0.00 -0.62 0.00 0.00 57.03 56.64 3hk9 h ASP 172 Cb 1.05 0.45 -0.04 0.00 0.18 0.00 0.00 39.33 40.97 3hk9 h ASP 172 CO 0.00 -0.25 0.43 -0.65 -3.12 0.00 0.00 179.24 175.66 3hk9 h PRO 173 N -0.08 0.74 -0.06 3.56 0.11 -1.94 0.95 132.00 135.28 3hk9 h PRO 173 Ca 0.27 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.29 3hk9 h PRO 173 Cb 0.49 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.44 3hk9 h PRO 173 CO -0.64 0.49 -0.11 1.25 -0.21 0.00 0.00 178.00 178.78 3hk9 h LEU 174 N 0.76 0.20 0.09 2.35 7.12 -1.54 -2.35 115.31 121.93 3hk9 h LEU 174 Ca 0.27 -0.57 -0.26 0.00 0.13 0.00 0.00 57.88 57.45 3hk9 h LEU 174 Cb 0.11 -0.06 -0.01 0.00 -0.53 0.00 0.00 40.66 40.18 3hk9 h LEU 174 CO -0.08 0.73 -1.20 -0.07 -0.13 0.00 0.00 178.44 177.69 3hk9 h LEU 175 N -0.33 0.30 -0.41 2.25 4.07 -1.08 -3.25 115.31 116.86 3hk9 h LEU 175 Ca 0.00 -0.33 0.00 0.00 0.08 0.00 0.00 57.88 57.64 3hk9 h LEU 175 Cb 0.70 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.34 3hk9 h LEU 175 CO 0.03 1.26 -0.62 0.59 -1.08 0.00 0.00 178.44 178.61 3hk9 n ASN 176 N -3.47 1.23 -2.77 -0.43 3.02 0.31 -3.82 115.26 109.34 3hk9 n ASN 176 Ca -0.07 -1.12 -0.03 0.00 -0.03 0.00 0.00 54.58 53.34 3hk9 n ASN 176 Cb 1.00 0.77 0.06 0.00 -0.61 0.00 0.00 39.78 41.00 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 -0.82 1.52 -0.28 3.52 1.02 -0.89 -4.95 120.64 119.77 3hk9 n GLU 177 Ca 0.05 -3.04 0.01 0.00 -0.02 0.00 0.00 57.16 54.17 3hk9 n GLU 177 Cb 0.32 -1.16 0.14 0.00 -0.02 0.00 0.00 31.44 30.73 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 2.43 0.86 -0.90 -0.32 3.20 -1.58 0.12 116.97 120.77 3hk9 h TYR 178 Ca -0.18 0.03 0.17 0.00 3.14 0.00 0.00 58.73 61.89 3hk9 h TYR 178 Cb 1.26 -0.27 -0.07 0.00 1.54 0.00 0.00 36.73 39.19 3hk9 h TYR 178 CO 0.40 0.39 0.58 0.93 -1.64 0.00 0.00 178.16 178.83 3hk9 h GLU 179 N 0.83 0.55 0.00 1.82 4.39 -1.91 0.75 114.58 121.02 3hk9 h GLU 179 Ca 0.37 -0.03 -0.21 0.00 0.34 0.00 0.00 59.36 59.82 3hk9 h GLU 179 Cb 0.26 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 28.75 3hk9 h GLU 179 CO -0.21 0.37 -1.84 1.04 -1.16 0.00 0.00 179.01 177.21 3hk9 n GLN 180 N -4.56 0.65 0.07 2.33 3.00 -0.86 -4.44 117.38 113.57 3hk9 n GLN 180 Ca 0.19 0.09 -0.17 0.00 -0.01 0.00 0.00 57.00 57.10 3hk9 n GLN 180 Cb 0.58 -1.67 -0.14 0.00 0.00 0.00 0.00 30.24 29.00 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 0.00 1.18 -0.60 5.09 2.02 0.13 -3.35 112.91 117.39 3hk9 h THR 181 Ca -0.27 -2.81 0.17 0.00 0.77 0.00 0.00 66.41 64.28 3hk9 h THR 181 Cb 1.73 2.78 -0.02 0.00 -1.74 0.00 0.00 68.15 70.90 3hk9 h THR 181 CO 0.04 0.82 0.62 0.07 0.37 0.00 0.00 175.52 177.44 3hk9 h LYS 182 N 0.07 0.00 0.00 6.66 2.10 0.27 0.66 116.57 126.33 3hk9 h LYS 182 Ca -0.23 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.25 3hk9 h LYS 182 Cb 2.02 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 33.32 3hk9 h LYS 182 CO 0.17 0.00 -0.79 0.45 -2.00 0.00 0.00 179.45 177.28 3hk9 h HIS 183 N 0.00 0.00 -0.18 0.07 3.86 -1.80 -2.57 115.15 114.52 3hk9 h HIS 183 Ca 0.28 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.34 3hk9 h HIS 183 Cb 1.53 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.99 3hk9 h HIS 183 CO 0.00 0.79 -0.53 0.00 0.86 0.00 0.00 177.93 179.05 3hk9 h ARG 184 N 0.00 0.53 -0.33 2.45 3.08 0.12 -2.20 114.38 118.04 3hk9 h ARG 184 Ca -0.01 -0.33 0.00 0.00 0.07 0.00 0.00 59.98 59.72 3hk9 h ARG 184 Cb 1.44 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.51 3hk9 h ARG 184 CO 0.10 0.93 0.21 -0.07 -1.07 0.00 0.00 179.97 180.07 3hk9 h LEU 185 N 0.41 0.38 0.16 3.04 3.38 -1.30 -1.56 115.31 119.82 3hk9 h LEU 185 Ca 0.01 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.97 3hk9 h LEU 185 Cb 1.06 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.68 3hk9 h LEU 185 CO 0.10 0.29 -0.32 0.03 0.09 0.00 0.00 178.44 178.63 3hk9 h ARG 186 N 0.44 -0.54 -0.10 1.13 3.08 -1.27 -0.32 114.38 116.80 3hk9 h ARG 186 Ca 0.12 0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.23 3hk9 h ARG 186 Cb -0.03 0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 3hk9 h ARG 186 CO -0.02 -0.36 0.26 -0.44 -1.07 0.00 0.00 179.97 178.33 3hk9 h ASP 187 N -0.56 0.00 0.35 7.04 5.19 -1.10 0.46 116.42 127.80 3hk9 h ASP 187 Ca 0.02 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 3hk9 h ASP 187 Cb 0.58 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.09 3hk9 h ASP 187 CO -0.16 0.00 -0.77 0.79 -3.12 0.00 0.00 179.24 175.97 3hk9 n TRP 188 N -3.24 0.07 0.00 4.55 8.01 -0.46 -4.96 117.44 121.41 3hk9 n TRP 188 Ca -0.00 0.02 0.00 0.00 -1.31 0.00 0.00 57.50 56.21 3hk9 n TRP 188 Cb 0.34 -0.23 0.00 0.00 -2.01 0.00 0.00 31.31 29.41 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 1.46 0.99 3.56 6.99 0.00 0.15 -5.09 105.19 113.26 3hk9 n GLY 189 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.00 3.14 -0.33 1.61 2.02 -0.26 -4.97 117.35 116.57 3hk9 s TYR 190 Ca 0.00 0.22 -0.04 0.00 -0.37 0.00 0.00 57.07 56.87 3hk9 s TYR 190 Cb 0.00 -3.12 -0.11 0.00 -0.40 0.00 0.00 41.96 38.32 3hk9 s TYR 190 CO 0.00 -0.65 2.20 1.63 -1.57 0.00 0.00 175.55 177.15 3hk9 n LYS 191 N 6.01 1.47 -2.28 -0.62 4.76 -1.26 -3.23 118.16 123.00 3hk9 n LYS 191 Ca -0.02 -0.88 -0.42 0.00 -2.87 0.00 0.00 58.31 54.11 3hk9 n LYS 191 Cb 0.48 -2.02 -0.03 0.00 -1.84 0.00 0.00 35.03 31.62 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 2.44 3.81 0.53 -0.18 -7.23 -1.26 -4.40 120.40 114.11 3hk9 s VAL 192 Ca 0.38 1.21 -0.08 0.00 -1.81 0.00 0.00 61.98 61.68 3hk9 s VAL 192 Cb 0.15 -3.78 -0.04 0.00 0.56 0.00 0.00 36.38 33.27 3hk9 s VAL 192 CO -0.01 0.02 0.89 0.20 -0.31 0.00 0.00 175.10 175.88 3hk9 s ASN 193 N 1.63 6.27 0.39 4.85 0.02 -1.26 -4.94 114.94 121.90 3hk9 s ASN 193 Ca 0.62 1.14 0.10 0.00 -1.02 0.00 0.00 52.86 53.70 3hk9 s ASN 193 Cb -0.30 -2.34 0.87 0.00 0.02 0.00 0.00 41.25 39.49 3hk9 s ASN 193 CO 0.26 -0.69 1.95 0.44 0.02 0.00 0.00 177.10 179.09 3hk9 h ASP 194 N 0.06 0.54 -1.90 -1.22 5.19 -2.02 -3.42 116.42 113.66 3hk9 h ASP 194 Ca -0.46 0.01 -0.45 0.00 -0.62 0.00 0.00 57.03 55.52 3hk9 h ASP 194 Cb 1.20 -0.10 -0.00 0.00 0.18 0.00 0.00 39.33 40.60 3hk9 h ASP 194 CO 0.62 0.33 -0.37 -1.83 -3.12 0.00 0.00 179.24 174.87 3hk9 s GLU 195 N -5.56 3.17 -1.22 3.56 -1.05 -1.26 -5.03 118.70 111.32 3hk9 s GLU 195 Ca -0.09 -0.97 -0.12 0.00 -0.15 0.00 0.00 54.97 53.64 3hk9 s GLU 195 Cb 0.20 -2.82 0.18 0.00 -0.44 0.00 0.00 34.13 31.25 3hk9 s GLU 195 CO 0.77 0.16 1.52 1.87 0.95 0.00 0.00 175.26 180.52 3hk9 n TRP 196 N -1.57 4.44 -3.39 4.83 -0.00 -1.26 -4.72 117.44 115.77 3hk9 n TRP 196 Ca -0.02 -3.24 -0.14 0.00 -0.00 0.00 0.00 57.50 54.10 3hk9 n TRP 196 Cb 0.58 -2.08 0.02 0.00 -0.00 0.00 0.00 31.31 29.83 3hk9 n TRP 196 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 177.69 177.96 3hk9 n ASN 197 N 4.92 1.70 -0.26 5.87 0.23 -1.26 -4.95 115.26 121.51 3hk9 n ASN 197 Ca 0.36 -2.06 0.06 0.00 -0.53 0.00 0.00 54.58 52.41 3hk9 n ASN 197 Cb 0.41 -0.14 0.30 0.00 -2.08 0.00 0.00 39.78 38.26 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 0.87 -0.22 -3.83 4.57 -1.99 -1.91 114.58 112.06 3hk9 h GLU 198 Ca -0.19 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 57.93 3hk9 h GLU 198 Cb 0.78 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 29.16 3hk9 h GLU 198 CO 0.29 0.57 0.13 0.78 -1.18 0.00 0.00 179.01 179.60 3hk9 h GLY 199 N 0.89 0.32 1.03 1.92 0.00 -1.95 -1.16 103.07 104.13 3hk9 h GLY 199 Ca 0.38 -0.14 -0.03 0.00 0.00 0.00 0.00 47.33 47.54 3hk9 h GLY 199 CO -0.14 0.13 0.42 1.76 0.00 0.00 0.00 176.54 178.70 3hk9 h SER 200 N 0.27 1.09 -0.06 0.19 0.02 -1.63 -1.54 113.55 111.89 3hk9 h SER 200 Ca 0.08 -0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 60.90 3hk9 h SER 200 Cb 0.03 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.29 3hk9 h SER 200 CO -0.01 0.91 0.03 0.40 -1.14 0.00 0.00 176.83 177.02 3hk9 h ILE 201 N 1.20 1.08 -0.50 3.27 2.04 -1.08 -1.83 117.51 121.67 3hk9 h ILE 201 Ca 0.29 -0.21 -0.07 0.00 1.00 0.00 0.00 64.86 65.86 3hk9 h ILE 201 Cb 0.10 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 3hk9 h ILE 201 CO -0.04 0.06 0.02 1.56 0.00 0.00 0.00 178.15 179.75 3hk9 h GLN 202 N 0.01 0.83 -0.03 2.37 1.08 -1.06 -2.15 115.11 116.16 3hk9 h GLN 202 Ca 0.02 -0.22 -0.12 0.00 -1.45 0.00 0.00 58.65 56.88 3hk9 h GLN 202 Cb 0.08 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.39 3hk9 h GLN 202 CO -0.00 0.82 -0.52 0.93 -0.95 0.00 0.00 178.83 179.11 3hk9 h GLU 203 N 0.78 0.08 -0.28 1.46 4.39 -1.16 -0.04 114.58 119.82 3hk9 h GLU 203 Ca 0.15 -0.05 -0.18 0.00 0.34 0.00 0.00 59.36 59.63 3hk9 h GLU 203 Cb 0.44 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 3hk9 h GLU 203 CO 0.02 0.59 -0.51 0.28 -1.16 0.00 0.00 179.01 178.22 3hk9 h VAL 204 N 0.06 1.28 -0.51 3.13 2.07 -1.13 -1.96 116.25 119.20 3hk9 h VAL 204 Ca -0.00 -1.70 -0.05 0.00 0.82 0.00 0.00 66.70 65.77 3hk9 h VAL 204 Cb 0.95 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 32.35 3hk9 h VAL 204 CO 0.07 0.55 0.10 0.11 0.02 0.00 0.00 177.57 178.42 3hk9 h LYS 205 N 0.61 0.80 -0.44 1.57 1.57 -1.12 -1.83 116.57 117.72 3hk9 h LYS 205 Ca 0.02 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.61 3hk9 h LYS 205 Cb 1.12 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.29 3hk9 h LYS 205 CO 0.11 0.74 0.20 -0.09 -0.57 0.00 0.00 179.45 179.84 3hk9 h ARG 206 N 0.76 0.65 -0.24 3.15 2.43 -0.84 0.91 114.38 121.20 3hk9 h ARG 206 Ca 0.17 -0.11 0.04 0.00 -0.81 0.00 0.00 59.98 59.27 3hk9 h ARG 206 Cb 0.32 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.72 3hk9 h ARG 206 CO 0.00 0.57 -0.01 0.35 -1.51 0.00 0.00 179.97 179.37 3hk9 h PHE 207 N 0.57 -0.04 -0.12 2.20 3.57 -0.86 0.36 116.94 122.63 3hk9 h PHE 207 Ca 0.15 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.67 3hk9 h PHE 207 Cb 0.15 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 3hk9 h PHE 207 CO -0.00 -0.05 0.06 -0.07 -2.23 0.00 0.00 178.31 176.01 3hk9 h LEU 208 N 0.06 0.15 -0.93 0.59 3.38 -1.02 -2.08 115.31 115.47 3hk9 h LEU 208 Ca 0.12 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 57.99 3hk9 h LEU 208 Cb 0.16 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 3hk9 h LEU 208 CO -0.21 0.22 0.61 0.74 0.09 0.00 0.00 178.44 179.89 3hk9 h THR 209 N 0.07 1.21 -0.36 0.22 2.02 -0.50 0.16 112.91 115.73 3hk9 h THR 209 Ca 0.04 -0.42 -0.00 0.00 0.77 0.00 0.00 66.41 66.80 3hk9 h THR 209 Cb 0.11 -0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 66.38 3hk9 h THR 209 CO -0.01 0.22 0.22 0.44 0.37 0.00 0.00 175.52 176.76 3hk9 h ASP 210 N 1.22 0.43 0.84 4.18 3.32 -0.07 -1.41 116.42 124.94 3hk9 h ASP 210 Ca 0.35 -0.05 -0.12 0.00 0.02 0.00 0.00 57.03 57.23 3hk9 h ASP 210 Cb -0.09 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 3hk9 h ASP 210 CO -0.09 0.36 -0.56 -0.50 -1.72 0.00 0.00 179.24 176.72 3hk9 h TRP 211 N 0.47 0.00 -0.22 4.55 4.06 -0.93 -1.79 115.95 122.09 3hk9 h TRP 211 Ca 0.13 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 61.06 3hk9 h TRP 211 Cb 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.16 3hk9 h TRP 211 CO -0.04 0.56 0.08 0.82 -3.56 0.00 0.00 178.44 176.30 3hk9 h ILE 212 N 0.00 1.18 -0.27 1.49 2.04 -0.37 0.16 117.51 121.73 3hk9 h ILE 212 Ca -0.01 -0.56 -0.06 0.00 1.00 0.00 0.00 64.86 65.23 3hk9 h ILE 212 Cb 1.14 1.14 -0.02 0.00 -0.74 0.00 0.00 36.82 38.34 3hk9 h ILE 212 CO 0.07 0.18 -0.08 -0.33 0.00 0.00 0.00 178.15 177.99 3hk9 h GLU 213 N 0.20 0.43 0.07 2.37 5.08 -1.14 0.56 114.58 122.15 3hk9 h GLU 213 Ca 0.07 -0.11 -0.25 0.00 -1.00 0.00 0.00 59.36 58.08 3hk9 h GLU 213 Cb 0.21 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3hk9 h GLU 213 CO -0.00 0.53 -1.09 -0.09 -1.00 0.00 0.00 179.01 177.35 3hk9 h ARG 214 N 0.41 0.32 0.00 2.33 2.43 -0.98 -3.37 114.38 115.52 3hk9 h ARG 214 Ca 0.08 -0.44 -0.10 0.00 -0.81 0.00 0.00 59.98 58.71 3hk9 h ARG 214 Cb 0.40 0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.08 3hk9 h ARG 214 CO 0.02 1.15 -2.01 -1.33 -1.51 0.00 0.00 179.97 176.29 3hk9 n MET 215 N -3.63 0.72 -3.76 0.20 2.81 0.52 -5.01 117.12 108.97 3hk9 n MET 215 Ca -0.07 -0.13 -0.31 0.00 -1.81 0.00 0.00 57.70 55.38 3hk9 n MET 215 Cb 0.93 -1.47 0.03 0.00 -0.71 0.00 0.00 33.22 32.00 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 -2.34 -4.14 -4.77 7.83 2.03 0.19 -4.60 116.55 110.76 3hk9 n ASP 216 Ca -0.12 -1.03 -0.36 0.00 0.52 0.00 0.00 54.79 53.80 3hk9 n ASP 216 Cb 0.69 -3.21 0.00 0.00 -0.72 0.00 0.00 41.12 37.89 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 -6.20 3.53 0.37 -0.67 0.04 -1.26 -4.61 135.00 126.21 3hk9 s PRO 217 Ca 0.37 1.76 0.20 0.00 0.04 0.00 0.00 61.00 63.37 3hk9 s PRO 217 Cb -0.14 -2.24 0.52 0.00 0.04 0.00 0.00 34.50 32.69 3hk9 s PRO 217 CO 0.87 -0.74 1.65 -0.39 0.04 0.00 0.00 177.00 178.44 3hk9 h VAL 218 N 1.56 0.68 -2.06 -0.36 -1.51 -0.93 -3.47 116.25 110.16 3hk9 h VAL 218 Ca -0.50 -1.59 0.15 0.00 -1.23 0.00 0.00 66.70 63.54 3hk9 h VAL 218 Cb 1.26 2.05 -0.16 0.00 -2.13 0.00 0.00 31.29 32.31 3hk9 h VAL 218 CO 0.59 0.33 0.58 -0.72 -1.23 0.00 0.00 177.57 177.12 3hk9 s TYR 219 N -3.35 -0.28 -0.00 5.19 -0.85 -1.26 -4.31 117.35 112.48 3hk9 s TYR 219 Ca 0.02 0.17 -0.05 0.00 -0.52 0.00 0.00 57.07 56.69 3hk9 s TYR 219 Cb 0.09 0.53 -0.04 0.00 0.38 0.00 0.00 41.96 42.92 3hk9 s TYR 219 CO 0.69 -0.46 0.22 -1.64 -1.52 0.00 0.00 175.55 172.84 3hk9 s MET 220 N -2.93 3.50 0.12 -3.49 -1.94 -0.92 -2.00 119.30 111.64 3hk9 s MET 220 Ca 0.06 -0.21 -0.03 0.00 -1.71 0.00 0.00 55.69 53.81 3hk9 s MET 220 Cb -0.01 -3.09 -0.03 0.00 2.01 0.00 0.00 34.83 33.71 3hk9 s MET 220 CO -0.08 0.66 0.09 0.00 -0.01 0.00 0.00 175.02 175.69 3hk9 s ALA 221 N -1.31 0.60 -0.15 3.03 0.00 -0.35 -0.06 121.76 123.52 3hk9 s ALA 221 Ca 0.27 -1.29 -0.28 0.00 0.00 0.00 0.00 51.96 50.66 3hk9 s ALA 221 Cb -0.13 0.77 0.08 0.00 0.00 0.00 0.00 23.12 23.84 3hk9 s ALA 221 CO 0.17 -0.50 0.76 0.54 0.00 0.00 0.00 175.76 176.72 3hk9 s VAL 222 N -4.01 0.00 -0.11 0.00 0.11 -0.42 -1.29 120.40 114.68 3hk9 s VAL 222 Ca 0.20 0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 59.20 3hk9 s VAL 222 Cb 0.07 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.88 3hk9 s VAL 222 CO -0.01 0.00 0.06 -0.94 -3.33 0.00 0.00 175.10 170.88 3hk9 s SER 223 N -0.54 5.71 0.18 3.54 1.04 -1.26 -1.02 113.70 121.35 3hk9 s SER 223 Ca -0.05 0.26 0.09 0.00 0.48 0.00 0.00 55.95 56.73 3hk9 s SER 223 Cb -0.02 -1.75 -0.04 0.00 0.10 0.00 0.00 66.02 64.31 3hk9 s SER 223 CO 0.05 0.37 -0.19 -0.76 0.98 0.00 0.00 173.24 173.69 3hk9 s LEU 224 N -0.81 2.47 0.73 2.42 1.43 0.13 -4.90 118.68 120.14 3hk9 s LEU 224 Ca 0.13 -0.90 -0.11 0.00 -1.03 0.00 0.00 54.13 52.22 3hk9 s LEU 224 Cb -0.12 -0.87 0.03 0.00 0.03 0.00 0.00 46.19 45.26 3hk9 s LEU 224 CO 0.03 -0.03 1.08 -2.16 0.23 0.00 0.00 176.35 175.50 3hk9 s PRO 225 N -2.95 2.69 0.57 1.29 0.04 -1.25 -0.32 135.00 135.07 3hk9 s PRO 225 Ca 0.18 0.63 0.27 0.00 0.04 0.00 0.00 61.00 62.13 3hk9 s PRO 225 Cb -0.05 -1.99 1.61 0.00 0.04 0.00 0.00 34.50 34.11 3hk9 s PRO 225 CO 0.08 -1.20 2.12 -1.35 0.04 0.00 0.00 177.00 176.70 3hk9 h PRO 226 N -0.78 0.00 -0.10 0.56 0.11 -1.76 -0.35 132.00 129.68 3hk9 h PRO 226 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3hk9 h PRO 226 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3hk9 h PRO 226 CO 0.61 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.65 3hk9 n THR 227 N -3.97 0.13 -1.57 -1.15 -2.24 -1.26 -4.01 114.28 100.22 3hk9 n THR 227 Ca 0.01 -0.18 -0.48 0.00 -2.27 0.00 0.00 64.05 61.13 3hk9 n THR 227 Cb 0.28 0.05 -0.04 0.00 -2.10 0.00 0.00 70.33 68.52 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 -0.20 1.15 -3.83 4.78 7.35 -0.14 -4.98 117.46 121.59 3hk9 n PHE 228 Ca 0.13 0.71 -0.11 0.00 -0.76 0.00 0.00 57.45 57.41 3hk9 n PHE 228 Cb 0.18 -2.25 -0.09 0.00 0.35 0.00 0.00 39.48 37.67 3hk9 n PHE 228 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 3hk9 s SER 229 N -0.19 -0.03 -0.28 -2.13 0.15 -1.26 -4.67 113.70 105.28 3hk9 s SER 229 Ca 0.70 -0.18 -0.21 0.00 0.70 0.00 0.00 55.95 56.96 3hk9 s SER 229 Cb -0.83 0.26 0.13 0.00 -1.71 0.00 0.00 66.02 63.87 3hk9 s SER 229 CO 0.54 -0.46 0.99 0.12 1.20 0.00 0.00 173.24 175.64 3hk9 s PHE 230 N -1.77 -0.54 1.03 3.44 2.19 -1.26 -4.51 117.98 116.55 3hk9 s PHE 230 Ca -0.11 1.20 -0.11 0.00 0.33 0.00 0.00 56.93 58.23 3hk9 s PHE 230 Cb -0.05 0.37 0.20 0.00 -1.31 0.00 0.00 43.02 42.23 3hk9 s PHE 230 CO 0.00 -0.26 1.05 -2.30 1.83 0.00 0.00 175.22 175.54 3hk9 n PRO 231 N 2.90 -1.27 -3.61 10.12 -0.02 -1.26 -4.09 135.00 137.77 3hk9 n PRO 231 Ca -0.15 -0.32 -0.03 0.00 -2.02 0.00 0.00 63.50 60.98 3hk9 n PRO 231 Cb 0.57 -2.26 -0.06 0.00 -0.02 0.00 0.00 33.50 31.72 3hk9 n PRO 231 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3hk9 s GLU 232 N -4.48 0.49 -1.30 -0.52 2.12 -1.26 -5.07 118.70 108.68 3hk9 s GLU 232 Ca 0.67 0.92 -0.17 0.00 0.36 0.00 0.00 54.97 56.75 3hk9 s GLU 232 Cb -0.24 0.22 0.08 0.00 0.26 0.00 0.00 34.13 34.46 3hk9 s GLU 232 CO 0.61 -0.12 1.74 0.39 -0.54 0.00 0.00 175.26 177.35 3hk9 n GLU 233 N 4.23 3.20 -4.12 4.30 -0.58 -1.26 -3.84 120.64 122.56 3hk9 n GLU 233 Ca -0.17 -3.29 -0.13 0.00 -0.42 0.00 0.00 57.16 53.14 3hk9 n GLU 233 Cb 0.57 -3.43 -0.07 0.00 -0.57 0.00 0.00 31.44 27.94 3hk9 n GLU 233 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3hk9 s SER 234 N 3.97 0.54 0.24 1.62 1.04 -1.26 -5.01 113.70 114.84 3hk9 s SER 234 Ca 0.52 -1.35 -0.04 0.00 0.48 0.00 0.00 55.95 55.56 3hk9 s SER 234 Cb 0.04 0.55 0.26 0.00 0.10 0.00 0.00 66.02 66.97 3hk9 s SER 234 CO 0.06 -1.10 1.73 0.78 0.98 0.00 0.00 173.24 175.69 3hk9 h ASN 235 N 2.30 0.84 -0.14 7.02 2.35 -1.91 -0.86 115.58 125.18 3hk9 h ASN 235 Ca -0.29 -0.21 -0.01 0.00 -0.55 0.00 0.00 56.30 55.23 3hk9 h ASN 235 Cb 1.24 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 39.39 3hk9 h ASN 235 CO 0.42 0.90 0.03 -0.09 -1.65 0.00 0.00 177.43 177.03 3hk9 h ARG 236 N 0.80 0.22 -0.57 0.81 2.43 -1.91 0.16 114.38 116.33 3hk9 h ARG 236 Ca 0.15 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.21 3hk9 h ARG 236 Cb 0.48 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 3hk9 h ARG 236 CO 0.02 0.39 0.10 0.78 -1.51 0.00 0.00 179.97 179.76 3hk9 h GLY 237 N 0.01 0.97 0.89 2.80 0.00 -1.65 -1.47 103.07 104.63 3hk9 h GLY 237 Ca 0.04 -0.59 -0.13 0.00 0.00 0.00 0.00 47.33 46.65 3hk9 h GLY 237 CO 0.00 0.55 -0.42 3.21 0.00 0.00 0.00 176.54 179.88 3hk9 h ARG 238 N 0.85 0.56 -0.59 4.80 3.08 -1.02 -1.86 114.38 120.21 3hk9 h ARG 238 Ca 0.18 -0.39 -0.03 0.00 0.07 0.00 0.00 59.98 59.81 3hk9 h ARG 238 Cb 0.36 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.44 3hk9 h ARG 238 CO 0.01 1.01 0.27 0.82 -1.07 0.00 0.00 179.97 181.00 3hk9 h ILE 239 N 0.20 1.22 -0.29 2.04 2.04 -0.60 0.62 117.51 122.73 3hk9 h ILE 239 Ca -0.01 -0.64 -0.04 0.00 1.00 0.00 0.00 64.86 65.18 3hk9 h ILE 239 Cb 1.04 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 3hk9 h ILE 239 CO 0.09 0.25 0.03 0.40 0.00 0.00 0.00 178.15 178.93 3hk9 h ILE 240 N 0.81 1.24 0.22 -0.67 2.04 -1.31 0.12 117.51 119.96 3hk9 h ILE 240 Ca 0.20 -0.85 -0.01 0.00 1.00 0.00 0.00 64.86 65.20 3hk9 h ILE 240 Cb 0.15 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 3hk9 h ILE 240 CO -0.02 0.27 -0.11 -0.09 0.00 0.00 0.00 178.15 178.21 3hk9 h ARG 241 N 0.31 -0.29 0.00 2.37 2.43 -1.18 -1.57 114.38 116.45 3hk9 h ARG 241 Ca 0.09 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3hk9 h ARG 241 Cb 0.37 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 3hk9 h ARG 241 CO 0.01 0.03 -0.57 -0.44 -1.51 0.00 0.00 179.97 177.49 3hk9 h ASP 242 N -0.63 0.00 0.00 -3.80 3.32 -0.95 -3.41 116.42 110.94 3hk9 h ASP 242 Ca -0.03 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.95 3hk9 h ASP 242 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.00 3hk9 h ASP 242 CO 0.05 0.04 0.00 0.00 -1.72 0.00 0.00 179.24 177.61 3hk9 h LEU 244 N 0.00 -1.62 -0.22 0.00 7.12 -1.19 -2.28 115.31 117.13 3hk9 h LEU 244 Ca 0.00 0.19 0.04 0.00 0.13 0.00 0.00 57.88 58.23 3hk9 h LEU 244 Cb 0.00 0.62 -0.03 0.00 -0.53 0.00 0.00 40.66 40.72 3hk9 h LEU 244 CO 0.00 -0.48 -0.00 -0.07 -0.13 0.00 0.00 178.44 177.75 3hk9 h LEU 245 N -0.60 -0.09 -0.50 2.25 3.38 -1.53 0.13 115.31 118.35 3hk9 h LEU 245 Ca 0.02 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3hk9 h LEU 245 Cb 0.67 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 3hk9 h LEU 245 CO -0.38 -0.02 0.27 -0.65 0.09 0.00 0.00 178.44 177.75 3hk9 h PRO 246 N 0.06 0.70 -0.50 1.13 0.11 -1.78 -0.69 132.00 131.03 3hk9 h PRO 246 Ca 0.10 -0.09 -0.02 0.00 0.11 0.00 0.00 66.00 66.10 3hk9 h PRO 246 Cb 0.13 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.08 3hk9 h PRO 246 CO -0.18 0.55 0.23 0.28 -0.21 0.00 0.00 178.00 178.67 3hk9 h VAL 247 N 0.66 1.20 -0.69 3.15 2.07 -1.21 0.00 116.25 121.43 3hk9 h VAL 247 Ca 0.17 -0.59 -0.00 0.00 0.82 0.00 0.00 66.70 67.10 3hk9 h VAL 247 Cb 0.06 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 3hk9 h VAL 247 CO -0.03 0.23 0.42 0.00 0.02 0.00 0.00 177.57 178.21 3hk9 h ALA 248 N 1.07 0.88 -0.29 1.67 0.00 -0.50 -2.31 119.26 119.77 3hk9 h ALA 248 Ca 0.17 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3hk9 h ALA 248 Cb 0.15 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3hk9 h ALA 248 CO -0.02 0.35 -0.02 1.49 0.00 0.00 0.00 179.25 181.05 3hk9 h GLU 249 N 0.94 0.52 -0.43 0.00 4.81 -0.84 0.34 114.58 119.92 3hk9 h GLU 249 Ca 0.25 -0.18 0.08 0.00 -0.13 0.00 0.00 59.36 59.38 3hk9 h GLU 249 Cb -0.03 -0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.23 3hk9 h GLU 249 CO -0.05 0.69 -0.03 -0.22 -0.73 0.00 0.00 179.01 178.67 3hk9 h LYS 250 N 0.30 0.07 -0.22 1.92 3.64 -0.72 0.06 116.57 121.64 3hk9 h LYS 250 Ca 0.08 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3hk9 h LYS 250 Cb 0.47 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 3hk9 h LYS 250 CO 0.02 0.05 0.00 0.72 -2.27 0.00 0.00 179.45 177.97 3hk9 n HIS 251 N -5.24 0.28 -3.96 1.91 8.25 -0.89 -4.93 115.22 110.63 3hk9 n HIS 251 Ca 0.03 -0.14 -0.28 0.00 -0.26 0.00 0.00 57.72 57.07 3hk9 n HIS 251 Cb 0.23 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.34 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 0.44 -2.03 -4.56 0.41 5.15 0.02 -4.96 115.26 109.73 3hk9 n ASN 252 Ca 0.16 -0.93 -0.34 0.00 -0.60 0.00 0.00 54.58 52.87 3hk9 n ASN 252 Cb 0.34 -3.34 -0.11 0.00 -0.53 0.00 0.00 39.78 36.15 3hk9 n ASN 252 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3hk9 s ILE 253 N -3.63 4.34 0.68 -1.44 1.01 0.99 -4.81 121.20 118.34 3hk9 s ILE 253 Ca 0.30 -0.19 -0.14 0.00 0.00 0.00 0.00 60.65 60.61 3hk9 s ILE 253 Cb -0.16 -2.94 0.01 0.00 0.01 0.00 0.00 42.46 39.39 3hk9 s ILE 253 CO 0.87 0.47 1.11 -2.16 0.00 0.00 0.00 174.94 175.24 3hk9 s PRO 254 N 0.40 2.70 -0.23 2.79 0.04 -1.26 -4.54 135.00 134.90 3hk9 s PRO 254 Ca -0.00 1.39 -0.06 0.00 0.04 0.00 0.00 61.00 62.36 3hk9 s PRO 254 Cb -0.13 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.44 3hk9 s PRO 254 CO 0.02 -1.33 0.04 0.12 0.04 0.00 0.00 177.00 175.89 3hk9 s PHE 255 N -2.38 3.06 -0.24 0.56 5.36 0.29 -2.17 117.98 122.46 3hk9 s PHE 255 Ca 0.67 -0.49 -0.10 0.00 -0.96 0.00 0.00 56.93 56.05 3hk9 s PHE 255 Cb -0.21 -2.18 -0.05 0.00 -0.34 0.00 0.00 43.02 40.25 3hk9 s PHE 255 CO 0.43 -0.34 0.15 0.00 -1.46 0.00 0.00 175.22 174.00 3hk9 s ALA 256 N 1.41 3.54 -0.15 11.12 0.00 0.91 -0.68 121.76 137.91 3hk9 s ALA 256 Ca 0.05 -0.93 0.02 0.00 0.00 0.00 0.00 51.96 51.10 3hk9 s ALA 256 Cb -0.15 -2.29 0.01 0.00 0.00 0.00 0.00 23.12 20.69 3hk9 s ALA 256 CO 0.02 -0.24 -0.20 -1.64 0.00 0.00 0.00 175.76 173.70 3hk9 s MET 257 N 1.15 3.05 -0.44 0.00 1.00 0.26 -1.30 119.30 123.02 3hk9 s MET 257 Ca 0.07 -0.83 -0.03 0.00 0.00 0.00 0.00 55.69 54.91 3hk9 s MET 257 Cb -0.14 -2.51 0.12 0.00 0.00 0.00 0.00 34.83 32.30 3hk9 s MET 257 CO 0.05 -0.06 0.24 -1.64 0.00 0.00 0.00 175.02 173.61 3hk9 s MET 258 N 0.93 2.07 -0.07 2.03 -1.94 -0.19 -2.25 119.30 119.88 3hk9 s MET 258 Ca -0.04 -1.95 -0.10 0.00 -1.71 0.00 0.00 55.69 51.89 3hk9 s MET 258 Cb -0.15 -3.59 -0.05 0.00 2.01 0.00 0.00 34.83 33.05 3hk9 s MET 258 CO -0.04 -1.09 0.26 0.42 -0.01 0.00 0.00 175.02 174.56 3hk9 s ILE 259 N 0.92 5.30 0.00 2.53 1.01 -0.68 0.19 121.20 130.47 3hk9 s ILE 259 Ca 0.10 0.48 0.00 0.00 0.00 0.00 0.00 60.65 61.23 3hk9 s ILE 259 Cb -0.22 -3.54 0.00 0.00 0.01 0.00 0.00 42.46 38.71 3hk9 s ILE 259 CO -0.04 0.60 0.00 0.61 0.00 0.00 0.00 174.94 176.10 3hk9 n GLY 260 N 1.96 1.02 3.73 6.18 0.00 0.57 -0.42 105.19 118.22 3hk9 n GLY 260 Ca -0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.45 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 4.92 -0.46 1.61 0.11 -0.92 -2.02 120.40 121.64 3hk9 s VAL 261 Ca 0.00 1.56 -0.11 0.00 -2.93 0.00 0.00 61.98 60.50 3hk9 s VAL 261 Cb 0.00 -4.09 0.10 0.00 -1.53 0.00 0.00 36.38 30.86 3hk9 s VAL 261 CO 0.00 0.29 0.34 -0.75 -3.33 0.00 0.00 175.10 171.65 3hk9 s LYS 262 N 0.50 2.66 0.44 1.54 2.20 0.20 -3.96 119.74 123.32 3hk9 s LYS 262 Ca 0.39 -1.58 -0.25 0.00 -0.36 0.00 0.00 55.97 54.16 3hk9 s LYS 262 Cb -0.19 -3.95 -0.08 0.00 -1.51 0.00 0.00 37.83 32.10 3hk9 s LYS 262 CO 0.21 -1.10 1.36 0.15 -0.36 0.00 0.00 175.35 175.61 3hk9 s LYS 263 N 1.46 3.79 -0.87 4.03 -0.14 -1.26 -0.62 119.74 126.12 3hk9 s LYS 263 Ca 0.04 2.27 -0.20 0.00 -1.36 0.00 0.00 55.97 56.73 3hk9 s LYS 263 Cb -0.25 -2.68 0.03 0.00 -1.68 0.00 0.00 37.83 33.25 3hk9 s LYS 263 CO 0.02 -0.68 0.52 0.54 -0.76 0.00 0.00 175.35 174.98 3hk9 n ARG 264 N -0.10 -0.62 0.15 1.68 1.74 -1.23 -4.84 116.66 113.44 3hk9 n ARG 264 Ca 0.05 0.12 0.12 0.00 -0.77 0.00 0.00 57.85 57.37 3hk9 n ARG 264 Cb 0.43 -1.72 0.24 0.00 -1.02 0.00 0.00 32.46 30.39 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 -1.03 0.00 -2.36 1.55 -1.51 -1.10 -3.33 116.25 108.46 3hk9 h VAL 265 Ca -0.55 -0.76 -0.59 0.00 -1.23 0.00 0.00 66.70 63.57 3hk9 h VAL 265 Cb 1.11 1.67 -0.39 0.00 -2.13 0.00 0.00 31.29 31.55 3hk9 h VAL 265 CO 0.37 0.00 -0.93 1.57 -1.23 0.00 0.00 177.57 177.35 3hk9 n HIS 266 N -2.66 0.06 -0.33 5.19 -0.00 -1.09 -5.02 115.22 111.37 3hk9 n HIS 266 Ca 0.04 -3.56 0.22 0.00 -0.00 0.00 0.00 57.72 54.43 3hk9 n HIS 266 Cb 0.49 -0.06 0.43 0.00 -0.00 0.00 0.00 29.99 30.85 3hk9 n HIS 266 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3hk9 h PRO 267 N 5.10 0.09 0.00 1.57 0.11 -1.84 -1.52 132.00 135.51 3hk9 h PRO 267 Ca 0.20 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.30 3hk9 h PRO 267 Cb 0.87 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.96 3hk9 h PRO 267 CO 0.47 0.06 0.00 0.00 -0.21 0.00 0.00 178.00 178.32 3hk9 h ALA 268 N 1.94 1.00 -0.01 -0.75 0.00 -1.95 -2.23 119.26 117.25 3hk9 h ALA 268 Ca 0.71 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.62 3hk9 h ALA 268 Cb 1.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.46 3hk9 h ALA 268 CO -0.77 0.00 -0.08 1.28 0.00 0.00 0.00 179.25 179.68 3hk9 n LEU 269 N -2.62 1.03 0.00 0.00 4.77 -0.57 -4.94 117.00 114.67 3hk9 n LEU 269 Ca -0.01 -0.29 0.00 0.00 -0.03 0.00 0.00 56.01 55.68 3hk9 n LEU 269 Cb 0.12 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 3hk9 n LEU 269 CO 0.17 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 3hk9 n GLY 270 N 1.21 2.96 0.12 -0.72 0.00 -0.84 -1.94 105.19 105.99 3hk9 n GLY 270 Ca 0.17 -0.22 0.10 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 5.55 0.49 -1.06 1.61 8.00 -1.26 -1.30 116.55 128.57 3hk9 n ASP 271 Ca 0.00 0.67 0.09 0.00 0.71 0.00 0.00 54.79 56.26 3hk9 n ASP 271 Cb 0.00 -0.76 0.25 0.00 -0.02 0.00 0.00 41.12 40.60 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 -1.72 2.43 -0.88 2.24 0.00 -0.82 -4.34 120.51 117.42 3hk9 n ALA 272 Ca 0.00 -1.01 0.08 0.00 0.00 0.00 0.00 53.44 52.52 3hk9 n ALA 272 Cb 0.12 -0.96 0.35 0.00 0.00 0.00 0.00 19.45 18.95 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 1.39 3.31 3.84 0.00 0.00 -0.42 -4.84 105.19 108.47 3hk9 n GLY 273 Ca 0.19 -0.94 -0.37 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.19 6.80 0.18 1.61 1.01 -1.26 -0.72 116.67 123.10 3hk9 s ASP 274 Ca 0.49 0.96 0.01 0.00 0.71 0.00 0.00 52.55 54.73 3hk9 s ASP 274 Cb 0.37 -2.25 0.01 0.00 1.01 0.00 0.00 42.92 42.07 3hk9 s ASP 274 CO 0.15 0.28 0.11 0.33 0.21 0.00 0.00 175.17 176.25 3hk9 n PHE 275 N 1.60 -0.91 -4.21 4.23 7.35 0.21 -4.93 117.46 120.80 3hk9 n PHE 275 Ca -0.12 -0.79 -0.12 0.00 -0.76 0.00 0.00 57.45 55.65 3hk9 n PHE 275 Cb 0.52 -0.14 -0.10 0.00 0.35 0.00 0.00 39.48 40.11 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 -1.04 0.78 -0.16 -2.13 0.11 -1.26 -0.63 120.40 116.08 3hk9 s VAL 276 Ca 0.08 -1.97 -0.29 0.00 -2.93 0.00 0.00 61.98 56.88 3hk9 s VAL 276 Cb -0.01 -1.83 0.09 0.00 -1.53 0.00 0.00 36.38 33.10 3hk9 s VAL 276 CO 0.05 -0.74 0.82 -0.83 -3.33 0.00 0.00 175.10 171.07 3hk9 s GLY 277 N -3.10 -0.43 0.31 6.54 0.00 -0.86 -4.83 107.32 104.95 3hk9 s GLY 277 Ca 0.16 1.84 -0.29 0.00 0.00 0.00 0.00 44.72 46.43 3hk9 s GLY 277 CO -0.01 1.27 1.17 1.25 0.00 0.00 0.00 173.10 176.78 3hk9 s LYS 278 N -0.64 4.49 0.33 2.90 2.20 -1.26 -4.53 119.74 123.23 3hk9 s LYS 278 Ca -0.04 1.93 0.08 0.00 -0.36 0.00 0.00 55.97 57.58 3hk9 s LYS 278 Cb -0.02 -3.10 -0.04 0.00 -1.51 0.00 0.00 37.83 33.16 3hk9 s LYS 278 CO 0.04 0.04 0.11 0.00 -0.36 0.00 0.00 175.35 175.17 3hk9 s ALA 279 N -1.19 3.43 0.44 3.13 0.00 -1.26 -4.76 121.76 121.56 3hk9 s ALA 279 Ca 0.47 -1.81 -0.18 0.00 0.00 0.00 0.00 51.96 50.44 3hk9 s ALA 279 Cb -0.34 -0.72 -0.09 0.00 0.00 0.00 0.00 23.12 21.97 3hk9 s ALA 279 CO 0.44 0.07 0.92 0.45 0.00 0.00 0.00 175.76 177.65 3hk9 s SER 280 N -3.81 6.79 0.00 0.00 0.15 -1.26 -4.97 113.70 110.60 3hk9 s SER 280 Ca 0.36 1.56 0.24 0.00 0.70 0.00 0.00 55.95 58.82 3hk9 s SER 280 Cb -0.03 -2.50 0.29 0.00 -1.71 0.00 0.00 66.02 62.08 3hk9 s SER 280 CO 0.22 -0.42 1.27 0.23 1.20 0.00 0.00 173.24 175.74 3hk9 n MET 281 N -0.96 0.09 -0.23 5.44 2.81 -1.26 -4.46 117.12 118.56 3hk9 n MET 281 Ca 0.06 -0.06 0.02 0.00 -1.81 0.00 0.00 57.70 55.91 3hk9 n MET 281 Cb 0.54 -1.50 0.11 0.00 -0.71 0.00 0.00 33.22 31.66 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 0.15 -0.40 -0.37 7.83 5.19 -1.94 0.67 116.42 127.55 3hk9 h ASP 282 Ca 0.00 0.18 -0.00 0.00 -0.62 0.00 0.00 57.03 56.59 3hk9 h ASP 282 Cb 0.51 0.34 -0.02 0.00 0.18 0.00 0.00 39.33 40.34 3hk9 h ASP 282 CO 0.00 -0.17 0.22 1.23 -3.12 0.00 0.00 179.24 177.41 3hk9 h GLY 283 N 0.08 0.54 0.82 2.75 0.00 -1.78 0.43 103.07 105.91 3hk9 h GLY 283 Ca 0.35 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.45 3hk9 h GLY 283 CO -0.62 0.22 0.03 -2.08 0.00 0.00 0.00 176.54 174.09 3hk9 h VAL 284 N 0.49 1.19 -0.60 4.60 2.07 -1.66 -1.14 116.25 121.20 3hk9 h VAL 284 Ca 0.13 -0.58 0.10 0.00 0.82 0.00 0.00 66.70 67.17 3hk9 h VAL 284 Cb 0.00 1.38 -0.08 0.00 -1.52 0.00 0.00 31.29 31.07 3hk9 h VAL 284 CO -0.03 0.17 0.18 -0.08 0.02 0.00 0.00 177.57 177.83 3hk9 h GLU 285 N -0.03 0.32 -0.14 1.57 4.81 -0.73 -0.89 114.58 119.50 3hk9 h GLU 285 Ca 0.03 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 3hk9 h GLU 285 Cb 0.24 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 3hk9 h GLU 285 CO -0.00 0.21 0.05 1.25 -0.73 0.00 0.00 179.01 179.79 3hk9 h HIS 286 N 0.33 0.22 -0.37 0.92 2.76 -0.72 -1.86 115.15 116.42 3hk9 h HIS 286 Ca 0.31 -0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.50 3hk9 h HIS 286 Cb 0.42 -0.06 -0.04 0.00 1.55 0.00 0.00 27.41 29.28 3hk9 h HIS 286 CO -0.20 0.31 0.13 -0.07 -1.30 0.00 0.00 177.93 176.80 3hk9 h LEU 287 N 0.06 0.15 -0.50 0.26 3.38 -0.71 0.21 115.31 118.16 3hk9 h LEU 287 Ca 0.05 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 3hk9 h LEU 287 Cb 0.19 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3hk9 h LEU 287 CO -0.00 0.12 0.25 -0.07 0.09 0.00 0.00 178.44 178.83 3hk9 h LEU 288 N 0.29 0.65 -0.07 1.67 3.38 -1.10 -1.43 115.31 118.69 3hk9 h LEU 288 Ca 0.17 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 3hk9 h LEU 288 Cb 0.14 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3hk9 h LEU 288 CO -0.17 0.58 -0.34 -0.09 0.09 0.00 0.00 178.44 178.52 3hk9 h ARG 289 N 0.66 0.36 0.00 1.13 2.43 -1.13 -3.31 114.38 114.52 3hk9 h ARG 289 Ca 0.17 -0.29 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 3hk9 h ARG 289 Cb 0.10 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 3hk9 h ARG 289 CO -0.02 0.93 0.00 0.39 -1.51 0.00 0.00 179.97 179.75 3hk9 n GLU 290 N -4.40 0.09 -3.11 0.20 -0.58 0.04 -4.07 120.64 108.81 3hk9 n GLU 290 Ca -0.08 0.11 -0.23 0.00 -0.42 0.00 0.00 57.16 56.53 3hk9 n GLU 290 Cb 0.51 -1.61 -0.04 0.00 -0.57 0.00 0.00 31.44 29.73 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 -1.77 2.05 0.23 -0.32 4.01 -0.54 -4.93 117.16 115.89 3hk9 n TYR 291 Ca 0.06 -3.90 0.14 0.00 -0.16 0.00 0.00 57.90 54.04 3hk9 n TYR 291 Cb 0.35 -0.46 0.75 0.00 -0.31 0.00 0.00 39.34 39.67 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 3.21 0.00 -0.48 -0.72 0.13 -1.71 -1.04 132.00 131.39 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 0.66 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.52 3hk9 n ASN 293 N -2.51 3.38 -4.58 1.44 5.03 -1.26 -4.89 115.26 111.87 3hk9 n ASN 293 Ca -0.02 -1.97 -0.31 0.00 0.87 0.00 0.00 54.58 53.15 3hk9 n ASN 293 Cb 0.12 -0.31 -0.10 0.00 -1.02 0.00 0.00 39.78 38.47 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 -1.31 4.44 -0.12 6.41 -0.87 -0.39 -4.79 114.94 118.31 3hk9 s ASN 294 Ca 0.41 -0.29 -0.04 0.00 -1.57 0.00 0.00 52.86 51.36 3hk9 s ASN 294 Cb 0.23 -0.92 -0.04 0.00 -0.02 0.00 0.00 41.25 40.50 3hk9 s ASN 294 CO 0.31 0.23 0.05 -0.54 -2.57 0.00 0.00 177.10 174.57 3hk9 s LYS 295 N -1.83 3.34 -0.09 -0.60 1.02 -1.26 -4.84 119.74 115.48 3hk9 s LYS 295 Ca 0.19 -0.33 0.03 0.00 0.02 0.00 0.00 55.97 55.89 3hk9 s LYS 295 Cb -0.11 -2.99 0.01 0.00 -0.52 0.00 0.00 37.83 34.22 3hk9 s LYS 295 CO 0.11 0.62 -0.17 -0.06 -0.92 0.00 0.00 175.35 174.92 3hk9 s PHE 296 N -0.61 1.95 -0.23 3.18 0.08 0.17 -0.54 117.98 121.97 3hk9 s PHE 296 Ca 0.11 -0.79 -0.07 0.00 0.12 0.00 0.00 56.93 56.30 3hk9 s PHE 296 Cb -0.12 -1.36 -0.03 0.00 -0.57 0.00 0.00 43.02 40.94 3hk9 s PHE 296 CO 0.02 -0.37 0.05 -0.51 -0.10 0.00 0.00 175.22 174.32 3hk9 s LEU 297 N 0.61 3.46 -0.01 -0.37 1.43 0.14 -0.60 118.68 123.33 3hk9 s LEU 297 Ca -0.15 -0.16 0.03 0.00 -1.03 0.00 0.00 54.13 52.82 3hk9 s LEU 297 Cb -0.16 -1.91 -0.00 0.00 0.03 0.00 0.00 46.19 44.14 3hk9 s LEU 297 CO 0.05 0.02 -0.09 -0.69 0.23 0.00 0.00 176.35 175.86 3hk9 s VAL 298 N 1.28 0.76 0.00 -1.59 1.01 -0.73 -0.57 120.40 120.55 3hk9 s VAL 298 Ca 0.05 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 61.63 3hk9 s VAL 298 Cb -0.15 -0.64 -0.00 0.00 0.00 0.00 0.00 36.38 35.59 3hk9 s VAL 298 CO 0.03 0.22 -0.01 0.28 0.00 0.00 0.00 175.10 175.62 3hk9 s THR 299 N -0.13 0.03 0.11 3.92 -1.32 -0.96 -1.76 115.64 115.54 3hk9 s THR 299 Ca 0.02 -0.19 0.09 0.00 -1.21 0.00 0.00 61.69 60.41 3hk9 s THR 299 Cb -0.05 -0.07 -0.04 0.00 -1.51 0.00 0.00 72.50 70.84 3hk9 s THR 299 CO -0.00 -0.10 -0.23 -0.04 -2.21 0.00 0.00 174.62 172.04 3hk9 s MET 300 N -0.29 1.21 0.18 7.08 -1.94 -1.26 -1.69 119.30 122.58 3hk9 s MET 300 Ca -0.03 -1.22 0.19 0.00 -1.71 0.00 0.00 55.69 52.92 3hk9 s MET 300 Cb -0.02 -1.55 -0.02 0.00 2.01 0.00 0.00 34.83 35.25 3hk9 s MET 300 CO -0.00 0.36 1.06 1.25 -0.01 0.00 0.00 175.02 177.68 3hk9 h LEU 301 N 4.01 0.00 -9.40 -0.03 5.85 -1.05 -3.42 115.31 111.28 3hk9 h LEU 301 Ca -0.48 0.00 -0.56 0.00 0.84 0.00 0.00 57.88 57.69 3hk9 h LEU 301 Cb 1.18 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.16 3hk9 h LEU 301 CO 0.39 0.32 0.10 -0.55 -0.34 0.00 0.00 178.44 178.37 3hk9 s SER 302 N -5.79 7.03 0.35 1.25 0.15 -1.26 -4.56 113.70 110.87 3hk9 s SER 302 Ca -0.00 1.23 0.07 0.00 0.70 0.00 0.00 55.95 57.95 3hk9 s SER 302 Cb 0.08 -2.42 0.74 0.00 -1.71 0.00 0.00 66.02 62.72 3hk9 s SER 302 CO 0.78 -0.09 1.91 -0.09 1.20 0.00 0.00 173.24 176.95 3hk9 h ARG 303 N 6.56 0.75 0.00 5.44 2.43 -1.95 -1.84 114.38 125.76 3hk9 h ARG 303 Ca -0.42 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 3hk9 h ARG 303 Cb 1.20 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 3hk9 h ARG 303 CO 0.74 0.49 0.00 0.39 -1.51 0.00 0.00 179.97 180.09 3hk9 n GLU 304 N -4.52 0.49 -0.01 0.20 4.71 -1.26 -2.78 120.64 117.47 3hk9 n GLU 304 Ca 0.14 0.04 0.10 0.00 -0.01 0.00 0.00 57.16 57.43 3hk9 n GLU 304 Cb 0.34 -1.50 -0.15 0.00 -1.01 0.00 0.00 31.44 29.12 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 -1.12 0.56 -0.08 1.62 5.03 -0.69 -4.71 115.26 115.87 3hk9 n ASN 305 Ca 0.13 -0.18 -0.07 0.00 0.87 0.00 0.00 54.58 55.33 3hk9 n ASN 305 Cb 0.11 1.74 -0.01 0.00 -1.02 0.00 0.00 39.78 40.59 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 -0.01 0.14 3.52 1.08 -1.56 -1.26 115.11 117.02 3hk9 h GLN 306 Ca 0.00 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 3hk9 h GLN 306 Cb 0.82 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.25 3hk9 h GLN 306 CO 0.00 -0.01 -0.07 1.25 -0.95 0.00 0.00 178.83 179.06 3hk9 h HIS 307 N -0.01 -0.18 0.00 2.96 2.76 -1.84 -2.49 115.15 116.35 3hk9 h HIS 307 Ca 0.14 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.29 3hk9 h HIS 307 Cb 0.23 0.06 -0.00 0.00 1.55 0.00 0.00 27.41 29.24 3hk9 h HIS 307 CO -0.29 0.02 -0.09 1.05 -1.30 0.00 0.00 177.93 177.32 3hk9 h GLU 308 N -0.35 0.00 -0.49 5.26 4.11 -1.84 -1.64 114.58 119.64 3hk9 h GLU 308 Ca -0.02 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.30 3hk9 h GLU 308 Cb 0.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 3hk9 h GLU 308 CO 0.03 0.09 -0.12 1.25 0.07 0.00 0.00 179.01 180.33 3hk9 h LEU 309 N 0.00 0.95 -0.39 3.06 5.85 -0.96 -1.04 115.31 122.78 3hk9 h LEU 309 Ca -0.00 -0.36 -0.02 0.00 0.84 0.00 0.00 57.88 58.34 3hk9 h LEU 309 Cb 0.22 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 3hk9 h LEU 309 CO 0.01 1.10 0.18 0.58 -0.34 0.00 0.00 178.44 179.97 3hk9 h VAL 310 N 0.80 1.17 -0.35 1.05 2.07 -0.88 -1.54 116.25 118.56 3hk9 h VAL 310 Ca 0.12 -0.50 -0.03 0.00 0.82 0.00 0.00 66.70 67.11 3hk9 h VAL 310 Cb 0.68 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 3hk9 h VAL 310 CO 0.05 0.19 0.09 0.58 0.02 0.00 0.00 177.57 178.50 3hk9 h VAL 311 N 0.48 1.16 -0.20 2.57 2.07 -1.24 -1.22 116.25 119.88 3hk9 h VAL 311 Ca 0.13 -0.58 -0.09 0.00 0.82 0.00 0.00 66.70 66.98 3hk9 h VAL 311 Cb 0.13 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 3hk9 h VAL 311 CO -0.02 0.21 -0.28 0.25 0.02 0.00 0.00 177.57 177.75 3hk9 h LEU 312 N 0.51 0.38 -1.22 2.57 5.85 -0.65 -1.74 115.31 121.00 3hk9 h LEU 312 Ca 0.12 -0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 3hk9 h LEU 312 Cb 0.19 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 3hk9 h LEU 312 CO -0.00 0.65 -0.29 0.00 -0.34 0.00 0.00 178.44 178.46 3hk9 h ALA 313 N 1.38 1.35 0.00 1.25 0.00 -0.26 -1.32 119.26 121.66 3hk9 h ALA 313 Ca 0.05 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 3hk9 h ALA 313 Cb 0.67 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3hk9 h ALA 313 CO 0.05 0.45 -0.25 0.00 0.00 0.00 0.00 179.25 179.51 3hk9 h ARG 314 N 0.14 0.00 0.23 0.00 3.08 -0.54 -3.17 114.38 114.12 3hk9 h ARG 314 Ca 0.02 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.74 3hk9 h ARG 314 Cb 0.59 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.67 3hk9 h ARG 314 CO 0.04 0.25 -1.50 0.87 -1.07 0.00 0.00 179.97 178.56 3hk9 h LYS 315 N 0.00 0.49 -4.67 0.04 1.79 -0.95 -3.46 116.57 109.81 3hk9 h LYS 315 Ca -0.00 -0.83 -0.60 0.00 -2.18 0.00 0.00 60.65 57.04 3hk9 h LYS 315 Cb 0.45 0.31 -0.36 0.00 -1.58 0.00 0.00 32.23 31.06 3hk9 h LYS 315 CO 0.03 1.39 -0.83 -0.06 -1.08 0.00 0.00 179.45 178.90 3hk9 s PHE 316 N -2.60 2.12 -0.87 -1.35 0.08 -0.81 -4.99 117.98 109.56 3hk9 s PHE 316 Ca -0.09 -1.16 0.19 0.00 0.12 0.00 0.00 56.93 55.99 3hk9 s PHE 316 Cb 0.05 -1.56 0.80 0.00 -0.57 0.00 0.00 43.02 41.73 3hk9 s PHE 316 CO 0.93 -0.63 1.60 -1.13 -0.10 0.00 0.00 175.22 175.88 3hk9 n SER 317 N 4.68 0.20 -0.92 1.36 3.41 -1.26 -2.20 113.62 118.89 3hk9 n SER 317 Ca -0.17 0.54 0.06 0.00 -0.26 0.00 0.00 58.87 59.04 3hk9 n SER 317 Cb 0.50 -0.59 0.20 0.00 -0.26 0.00 0.00 64.21 64.07 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 -1.71 2.65 -4.35 4.04 6.94 -1.26 -4.75 115.26 116.81 3hk9 n ASN 318 Ca 0.04 -2.14 -0.33 0.00 -0.02 0.00 0.00 54.58 52.13 3hk9 n ASN 318 Cb 0.22 -0.37 -0.14 0.00 -2.36 0.00 0.00 39.78 37.13 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 -1.15 2.76 -0.23 -4.53 2.96 -0.93 -0.66 118.68 116.90 3hk9 s LEU 319 Ca 0.29 -0.35 0.01 0.00 -0.22 0.00 0.00 54.13 53.87 3hk9 s LEU 319 Cb 0.17 -1.64 0.05 0.00 0.50 0.00 0.00 46.19 45.27 3hk9 s LEU 319 CO 0.17 0.11 -0.08 -0.32 -1.32 0.00 0.00 176.35 174.91 3hk9 s MET 320 N 0.66 1.91 0.38 1.98 -2.45 0.23 -4.93 119.30 117.08 3hk9 s MET 320 Ca -0.06 -1.02 -0.18 0.00 -1.25 0.00 0.00 55.69 53.18 3hk9 s MET 320 Cb -0.15 -2.60 -0.10 0.00 1.25 0.00 0.00 34.83 33.23 3hk9 s MET 320 CO 0.02 -0.53 0.85 0.96 1.05 0.00 0.00 175.02 177.38 3hk9 s ILE 321 N 1.33 4.53 -0.04 10.11 -4.36 -1.26 -1.78 121.20 129.73 3hk9 s ILE 321 Ca -0.05 1.23 -0.12 0.00 -0.26 0.00 0.00 60.65 61.45 3hk9 s ILE 321 Cb -0.18 -3.61 0.02 0.00 1.25 0.00 0.00 42.46 39.94 3hk9 s ILE 321 CO -0.07 -0.27 0.27 0.72 0.24 0.00 0.00 174.94 175.83 3hk9 s PHE 322 N -2.10 -0.17 0.27 1.37 -0.12 -0.72 -2.20 117.98 114.31 3hk9 s PHE 322 Ca 0.58 0.32 0.00 0.00 -0.05 0.00 0.00 56.93 57.78 3hk9 s PHE 322 Cb -0.10 0.07 0.00 0.00 -0.63 0.00 0.00 43.02 42.36 3hk9 s PHE 322 CO 0.15 -0.30 0.00 0.41 -0.05 0.00 0.00 175.22 175.43 3hk9 n GLY 323 N 1.76 -1.45 2.93 1.99 0.00 -0.11 -4.42 105.19 105.89 3hk9 n GLY 323 Ca -0.19 -0.68 -0.30 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.50 3.36 0.00 0.00 -0.00 -1.26 -2.95 118.94 117.59 3hk9 s TRP 325 Ca 0.19 1.30 0.00 0.00 -0.00 0.00 0.00 56.10 57.59 3hk9 s TRP 325 Cb -0.21 -3.39 0.00 0.00 -0.00 0.00 0.00 33.47 29.86 3hk9 s TRP 325 CO -0.03 -1.17 0.00 1.87 -0.00 0.00 0.00 176.95 177.61 3hk9 n TRP 326 N 4.43 0.00 0.48 5.86 -0.00 -1.26 -0.59 117.44 126.36 3hk9 n TRP 326 Ca 0.09 0.00 0.06 0.00 -0.00 0.00 0.00 57.50 57.66 3hk9 n TRP 326 Cb 0.47 0.00 0.28 0.00 -0.00 0.00 0.00 31.31 32.06 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 0.29 5.87 3.72 -1.26 -1.15 117.46 124.93 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 -0.45 0.02 0.00 -0.94 0.00 0.00 39.48 38.11 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 -1.45 0.48 -0.87 -1.08 2.81 0.24 -4.53 117.12 112.72 3hk9 n MET 328 Ca 0.04 0.06 -0.13 0.00 -1.81 0.00 0.00 57.70 55.85 3hk9 n MET 328 Cb 0.14 -1.72 -0.12 0.00 -0.71 0.00 0.00 33.22 30.81 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 4.78 -4.09 7.83 5.15 -0.30 -3.59 115.26 122.67 3hk9 n ASN 329 Ca 0.01 -2.34 -0.25 0.00 -0.60 0.00 0.00 54.58 51.40 3hk9 n ASN 329 Cb 0.50 -1.21 -0.16 0.00 -0.53 0.00 0.00 39.78 38.39 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 2.24 1.91 0.15 1.20 0.01 -1.26 -4.98 114.94 114.21 3hk9 s ASN 330 Ca 0.56 -0.31 -0.12 0.00 -0.71 0.00 0.00 52.86 52.27 3hk9 s ASN 330 Cb 0.25 -0.60 0.15 0.00 0.41 0.00 0.00 41.25 41.46 3hk9 s ASN 330 CO -0.01 0.11 1.05 -2.65 -1.51 0.00 0.00 177.10 174.09 3hk9 n PRO 331 N 3.31 -0.17 -0.35 -0.60 -0.02 -1.26 0.30 135.00 136.22 3hk9 n PRO 331 Ca -0.19 1.04 0.03 0.00 -2.02 0.00 0.00 63.50 62.36 3hk9 n PRO 331 Cb 0.53 -1.54 0.18 0.00 -0.02 0.00 0.00 33.50 32.65 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 1.04 0.11 -0.52 4.57 -1.97 -0.49 114.58 117.32 3hk9 h GLU 332 Ca 0.23 -0.06 -0.16 0.00 -1.18 0.00 0.00 59.36 58.18 3hk9 h GLU 332 Cb 0.40 -0.23 0.02 0.00 -0.16 0.00 0.00 28.75 28.77 3hk9 h GLU 332 CO -0.67 0.69 -0.70 0.82 -1.18 0.00 0.00 179.01 177.97 3hk9 h ILE 333 N 1.07 1.53 -0.97 2.32 1.08 -0.40 -3.03 117.51 119.12 3hk9 h ILE 333 Ca 0.43 -2.45 0.12 0.00 -0.39 0.00 0.00 64.86 62.56 3hk9 h ILE 333 Cb 0.25 3.14 -0.08 0.00 -3.07 0.00 0.00 36.82 37.06 3hk9 h ILE 333 CO -0.20 0.69 0.62 0.40 -0.69 0.00 0.00 178.15 178.97 3hk9 h ILE 334 N -0.40 0.92 0.36 -0.67 2.04 -0.29 -0.15 117.51 119.32 3hk9 h ILE 334 Ca -0.12 -0.32 -0.02 0.00 1.00 0.00 0.00 64.86 65.40 3hk9 h ILE 334 Cb 1.53 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 3hk9 h ILE 334 CO 0.13 0.17 -0.17 -1.13 0.00 0.00 0.00 178.15 177.15 3hk9 h ASN 335 N 0.95 -0.41 -0.61 1.72 -1.24 -1.14 -1.59 115.58 113.25 3hk9 h ASN 335 Ca 0.47 -0.09 -0.06 0.00 0.71 0.00 0.00 56.30 57.33 3hk9 h ASN 335 Cb 0.49 0.11 -0.03 0.00 0.73 0.00 0.00 38.32 39.62 3hk9 h ASN 335 CO -0.24 -0.14 0.16 1.05 -1.29 0.00 0.00 177.43 176.97 3hk9 h GLU 336 N -0.68 1.01 0.06 6.67 4.11 -1.34 -1.91 114.58 122.49 3hk9 h GLU 336 Ca -0.05 -0.23 -0.00 0.00 0.07 0.00 0.00 59.36 59.15 3hk9 h GLU 336 Cb 0.48 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.59 3hk9 h GLU 336 CO 0.08 0.90 -0.03 0.52 0.07 0.00 0.00 179.01 180.55 3hk9 h MET 337 N 0.96 -0.08 -0.55 1.06 2.86 -1.04 -1.16 114.93 116.99 3hk9 h MET 337 Ca 0.20 0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.83 3hk9 h MET 337 Cb 0.34 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.99 3hk9 h MET 337 CO 0.00 0.10 0.26 1.15 1.06 0.00 0.00 176.91 179.48 3hk9 h THR 338 N -0.24 1.18 -0.18 2.22 2.02 -1.19 -0.43 112.91 116.29 3hk9 h THR 338 Ca -0.01 -0.52 -0.09 0.00 0.77 0.00 0.00 66.41 66.56 3hk9 h THR 338 Cb 0.21 0.48 -0.00 0.00 -1.74 0.00 0.00 68.15 67.10 3hk9 h THR 338 CO 0.01 0.22 -0.24 0.03 0.37 0.00 0.00 175.52 175.91 3hk9 h ARG 339 N 0.77 0.49 -0.59 6.66 3.08 -1.24 -1.42 114.38 122.12 3hk9 h ARG 339 Ca 0.19 -0.28 -0.03 0.00 0.07 0.00 0.00 59.98 59.93 3hk9 h ARG 339 Cb 0.09 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 3hk9 h ARG 339 CO -0.03 0.87 0.25 0.52 -1.07 0.00 0.00 179.97 180.51 3hk9 h MET 340 N 0.14 0.87 -0.40 0.04 2.86 -0.95 -1.38 114.93 116.11 3hk9 h MET 340 Ca 0.02 -0.15 -0.01 0.00 -2.06 0.00 0.00 59.70 57.50 3hk9 h MET 340 Cb 0.80 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.30 3hk9 h MET 340 CO 0.06 0.73 0.21 0.00 1.06 0.00 0.00 176.91 178.97 3hk9 h ARG 341 N 0.81 0.57 -0.27 1.72 3.08 -1.06 -2.52 114.38 116.71 3hk9 h ARG 341 Ca 0.20 -0.07 -0.15 0.00 0.07 0.00 0.00 59.98 60.03 3hk9 h ARG 341 Cb 0.17 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 3hk9 h ARG 341 CO -0.02 0.47 -0.44 1.98 -1.07 0.00 0.00 179.97 180.90 3hk9 h MET 342 N 0.52 0.69 -0.49 0.04 4.05 -1.11 0.16 114.93 118.78 3hk9 h MET 342 Ca 0.14 -0.37 -0.03 0.00 -0.28 0.00 0.00 59.70 59.16 3hk9 h MET 342 Cb 0.08 0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 30.87 3hk9 h MET 342 CO -0.02 0.99 0.20 0.93 0.23 0.00 0.00 176.91 179.23 3hk9 h GLU 343 N 0.56 0.70 0.00 0.39 5.08 -1.14 0.28 114.58 120.44 3hk9 h GLU 343 Ca 0.04 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3hk9 h GLU 343 Cb 0.98 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.10 3hk9 h GLU 343 CO 0.09 0.58 -1.37 -1.33 -1.00 0.00 0.00 179.01 175.98 3hk9 n MET 344 N -4.35 0.56 0.00 2.33 2.81 -0.96 -4.57 117.12 112.93 3hk9 n MET 344 Ca 0.04 -0.08 0.00 0.00 -1.81 0.00 0.00 57.70 55.85 3hk9 n MET 344 Cb 0.15 -1.45 0.00 0.00 -0.71 0.00 0.00 33.22 31.21 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 -1.79 0.48 0.00 4.03 4.77 0.54 -4.91 117.00 120.12 3hk9 n LEU 345 Ca 0.00 -0.62 0.00 0.00 -0.03 0.00 0.00 56.01 55.36 3hk9 n LEU 345 Cb 0.41 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 3hk9 n LEU 345 CO 0.41 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 3hk9 n GLY 346 N 0.28 3.75 0.80 -0.72 0.00 0.97 -1.73 105.19 108.55 3hk9 n GLY 346 Ca 0.00 -0.03 0.07 0.00 0.00 0.00 0.00 46.02 46.06 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 1.45 -1.50 2.61 -2.24 -1.26 -4.31 114.28 109.04 3hk9 n THR 347 Ca 0.00 -1.28 -0.32 0.00 -2.27 0.00 0.00 64.05 60.18 3hk9 n THR 347 Cb 0.00 0.24 -0.05 0.00 -2.10 0.00 0.00 70.33 68.42 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 0.27 7.43 -3.74 3.42 3.41 -0.70 -4.70 113.62 119.01 3hk9 n SER 348 Ca 0.16 -2.85 -0.06 0.00 -0.26 0.00 0.00 58.87 55.85 3hk9 n SER 348 Cb 0.61 -1.41 -0.01 0.00 -0.26 0.00 0.00 64.21 63.13 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 0.17 -0.14 -0.36 7.33 -0.12 -1.26 -4.81 117.98 118.79 3hk9 s PHE 349 Ca 0.62 -0.31 -0.03 0.00 -0.05 0.00 0.00 56.93 57.17 3hk9 s PHE 349 Cb 0.25 0.71 0.08 0.00 -0.63 0.00 0.00 43.02 43.43 3hk9 s PHE 349 CO -0.09 -1.19 0.12 0.42 -0.05 0.00 0.00 175.22 174.44 3hk9 s ILE 350 N -3.61 3.24 0.36 -4.49 1.01 -0.93 -4.65 121.20 112.11 3hk9 s ILE 350 Ca 0.12 -1.73 0.04 0.00 0.00 0.00 0.00 60.65 59.08 3hk9 s ILE 350 Cb -0.05 -3.06 0.28 0.00 0.01 0.00 0.00 42.46 39.64 3hk9 s ILE 350 CO 0.07 -0.44 1.98 1.55 0.00 0.00 0.00 174.94 178.10 3hk9 h PRO 351 N 8.05 0.79 -3.34 2.79 0.13 -1.86 -0.26 132.00 138.29 3hk9 h PRO 351 Ca -0.17 -0.05 -0.05 0.00 -0.87 0.00 0.00 66.00 64.87 3hk9 h PRO 351 Cb 1.06 -0.18 -0.13 0.00 0.13 0.00 0.00 31.00 31.88 3hk9 h PRO 351 CO 0.63 0.52 -0.03 -1.14 -0.23 0.00 0.00 178.00 177.75 3hk9 s GLN 352 N -5.70 1.13 0.02 0.86 2.00 -1.26 -3.47 119.66 113.23 3hk9 s GLN 352 Ca -0.10 -0.70 -0.08 0.00 -2.00 0.00 0.00 55.36 52.48 3hk9 s GLN 352 Cb 0.18 0.49 0.00 0.00 0.80 0.00 0.00 33.01 34.49 3hk9 s GLN 352 CO 0.77 -0.45 0.17 -3.38 -0.50 0.00 0.00 175.29 171.89 3hk9 s HIS 353 N -3.81 0.06 0.02 1.67 -3.43 -1.26 -4.62 115.29 103.92 3hk9 s HIS 353 Ca 0.03 -0.22 0.05 0.00 -0.80 0.00 0.00 55.06 54.12 3hk9 s HIS 353 Cb 0.01 -0.05 -0.24 0.00 -1.43 0.00 0.00 32.58 30.87 3hk9 s HIS 353 CO -0.11 -0.36 0.92 0.66 -2.00 0.00 0.00 174.74 173.85 3hk9 h SER 354 N 3.82 0.15 -1.61 7.38 4.64 -1.92 -3.44 113.55 122.57 3hk9 h SER 354 Ca -0.31 -0.21 -0.39 0.00 -0.47 0.00 0.00 61.79 60.40 3hk9 h SER 354 Cb 1.19 -0.05 -0.10 0.00 -0.31 0.00 0.00 62.40 63.13 3hk9 h SER 354 CO 0.45 1.18 -0.41 -0.67 -0.87 0.00 0.00 176.83 176.51 3hk9 n ASP 355 N -3.30 -5.39 -4.67 4.97 -0.08 -0.12 -4.88 116.55 103.08 3hk9 n ASP 355 Ca -0.12 0.29 -0.46 0.00 -1.51 0.00 0.00 54.79 52.99 3hk9 n ASP 355 Cb 1.01 -4.52 -0.04 0.00 2.34 0.00 0.00 41.12 39.91 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 0.10 1.29 0.05 -1.67 0.00 -1.26 -4.37 120.51 114.64 3hk9 n ALA 356 Ca -0.21 0.39 0.08 0.00 0.00 0.00 0.00 53.44 53.71 3hk9 n ALA 356 Cb 0.65 -2.41 -0.13 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 4.50 0.59 -4.33 0.00 1.74 -1.26 0.33 116.66 118.22 3hk9 n ARG 357 Ca 0.19 -0.14 -0.28 0.00 -0.77 0.00 0.00 57.85 56.84 3hk9 n ARG 357 Cb 0.30 -1.39 -0.17 0.00 -1.02 0.00 0.00 32.46 30.18 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 -3.11 1.42 0.19 1.55 1.01 -1.26 -4.38 120.40 115.82 3hk9 s VAL 358 Ca -0.05 -0.58 -0.12 0.00 0.00 0.00 0.00 61.98 61.22 3hk9 s VAL 358 Cb 0.11 -1.32 0.22 0.00 0.00 0.00 0.00 36.38 35.39 3hk9 s VAL 358 CO 0.69 0.43 1.22 -0.11 0.00 0.00 0.00 175.10 177.33 3hk9 n LEU 359 N 4.35 -0.47 0.32 3.92 7.94 0.05 -0.54 117.00 132.57 3hk9 n LEU 359 Ca -0.18 1.37 0.20 0.00 -1.11 0.00 0.00 56.01 56.28 3hk9 n LEU 359 Cb 0.51 -0.33 1.09 0.00 0.53 0.00 0.00 43.42 45.22 3hk9 n LEU 359 CO 0.23 -1.24 1.16 -0.33 -1.11 0.00 0.00 177.39 176.10 3hk9 h GLU 360 N 0.00 0.00 -0.01 1.96 3.07 -1.94 -2.66 114.58 114.99 3hk9 h GLU 360 Ca 0.29 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.16 3hk9 h GLU 360 Cb 0.49 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.40 3hk9 h GLU 360 CO -0.79 0.00 0.02 1.96 -1.40 0.00 0.00 179.01 178.80 3hk9 h GLN 361 N 0.00 0.00 -0.36 2.33 4.20 -1.23 -1.60 115.11 118.45 3hk9 h GLN 361 Ca 0.01 0.00 0.11 0.00 0.06 0.00 0.00 58.65 58.82 3hk9 h GLN 361 Cb 0.07 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 3hk9 h GLN 361 CO -0.00 0.00 0.31 -0.07 -0.67 0.00 0.00 178.83 178.40 3hk9 h LEU 362 N 0.00 0.00 0.07 1.46 3.38 -1.65 -0.75 115.31 117.82 3hk9 h LEU 362 Ca 0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hk9 h LEU 362 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3hk9 h LEU 362 CO -0.00 0.00 -0.03 0.40 0.09 0.00 0.00 178.44 178.90 3hk9 h ILE 363 N 0.00 1.18 0.14 1.22 2.04 -1.54 -3.10 117.51 117.45 3hk9 h ILE 363 Ca 0.17 -0.95 -0.28 0.00 1.00 0.00 0.00 64.86 64.80 3hk9 h ILE 363 Cb 0.79 1.79 0.01 0.00 -0.74 0.00 0.00 36.82 38.68 3hk9 h ILE 363 CO -0.00 0.23 -1.26 0.10 0.00 0.00 0.00 178.15 177.22 3hk9 h TYR 364 N -0.53 0.61 -0.39 1.37 -0.00 -1.55 -2.13 116.97 114.35 3hk9 h TYR 364 Ca -0.01 -0.43 0.03 0.00 0.00 0.00 0.00 58.73 58.32 3hk9 h TYR 364 Cb 0.45 -0.03 -0.03 0.00 0.00 0.00 0.00 36.73 37.12 3hk9 h TYR 364 CO 0.07 1.32 0.20 0.87 -0.00 0.00 0.00 178.16 180.62 3hk9 h LYS 365 N 0.11 0.39 0.04 0.10 1.79 -1.30 0.82 116.57 118.53 3hk9 h LYS 365 Ca -0.15 -0.02 -0.26 0.00 -2.18 0.00 0.00 60.65 58.04 3hk9 h LYS 365 Cb 1.97 -0.09 0.01 0.00 -1.58 0.00 0.00 32.23 32.54 3hk9 h LYS 365 CO 0.21 0.26 -1.07 -1.49 -1.08 0.00 0.00 179.45 176.28 3hk9 h TRP 366 N 0.41 0.80 -0.27 -1.35 4.06 -1.63 -2.36 115.95 115.60 3hk9 h TRP 366 Ca 0.16 -0.46 -0.05 0.00 2.06 0.00 0.00 58.89 60.60 3hk9 h TRP 366 Cb 0.06 -0.08 -0.01 0.00 -1.00 0.00 0.00 29.16 28.14 3hk9 h TRP 366 CO -0.10 1.30 -0.02 1.25 -3.56 0.00 0.00 178.44 177.31 3hk9 h HIS 367 N 0.26 0.54 -0.75 0.49 2.76 -1.24 0.21 115.15 117.42 3hk9 h HIS 367 Ca -0.12 -0.10 -0.05 0.00 -2.20 0.00 0.00 60.37 57.89 3hk9 h HIS 367 Cb 1.73 -0.14 -0.03 0.00 1.55 0.00 0.00 27.41 30.52 3hk9 h HIS 367 CO 0.08 0.66 0.26 0.45 -1.30 0.00 0.00 177.93 178.08 3hk9 h HIS 368 N 0.25 1.18 0.05 5.26 3.86 -0.93 -2.86 115.15 121.97 3hk9 h HIS 368 Ca 0.07 -0.11 -0.28 0.00 -1.16 0.00 0.00 60.37 58.90 3hk9 h HIS 368 Cb 0.47 -0.35 0.02 0.00 1.06 0.00 0.00 27.41 28.61 3hk9 h HIS 368 CO 0.04 0.92 -1.12 0.77 0.86 0.00 0.00 177.93 179.41 3hk9 h SER 369 N 1.10 0.87 -0.49 2.45 0.02 -1.34 -3.28 113.55 112.88 3hk9 h SER 369 Ca 0.24 -0.74 -0.04 0.00 -0.84 0.00 0.00 61.79 60.41 3hk9 h SER 369 Cb 0.28 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.52 3hk9 h SER 369 CO -0.01 1.54 0.16 0.11 -1.14 0.00 0.00 176.83 177.49 3hk9 h LYS 370 N 0.34 0.82 -0.42 3.45 1.57 -0.57 -0.46 116.57 121.30 3hk9 h LYS 370 Ca -0.15 -0.15 -0.06 0.00 -1.87 0.00 0.00 60.65 58.42 3hk9 h LYS 370 Cb 1.77 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.93 3hk9 h LYS 370 CO 0.21 0.72 0.02 0.66 -0.57 0.00 0.00 179.45 180.49 3hk9 h SER 371 N 0.80 0.63 -0.03 0.86 4.64 -1.60 0.52 113.55 119.37 3hk9 h SER 371 Ca 0.18 -0.13 -0.05 0.00 -0.47 0.00 0.00 61.79 61.32 3hk9 h SER 371 Cb 0.25 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3hk9 h SER 371 CO -0.01 0.68 -0.18 0.40 -0.87 0.00 0.00 176.83 176.86 3hk9 h ILE 372 N 0.63 1.49 -0.60 0.95 2.04 -1.49 -2.66 117.51 117.87 3hk9 h ILE 372 Ca 0.13 -1.70 -0.01 0.00 1.00 0.00 0.00 64.86 64.28 3hk9 h ILE 372 Cb 0.36 2.51 -0.03 0.00 -0.74 0.00 0.00 36.82 38.93 3hk9 h ILE 372 CO 0.01 0.47 0.31 0.40 0.00 0.00 0.00 178.15 179.34 3hk9 h ILE 373 N -0.42 1.19 -0.45 -0.67 2.04 -0.98 -1.78 117.51 116.44 3hk9 h ILE 373 Ca -0.01 -0.48 -0.06 0.00 1.00 0.00 0.00 64.86 65.31 3hk9 h ILE 373 Cb 0.86 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 3hk9 h ILE 373 CO 0.04 0.21 0.06 0.00 0.00 0.00 0.00 178.15 178.45 3hk9 h ALA 374 N 1.52 0.60 -0.57 1.87 0.00 -0.92 -0.74 119.26 121.00 3hk9 h ALA 374 Ca 0.21 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3hk9 h ALA 374 Cb 0.04 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3hk9 h ALA 374 CO -0.03 0.33 0.17 1.49 0.00 0.00 0.00 179.25 181.21 3hk9 h GLU 375 N 0.61 0.87 -0.44 0.00 4.57 -1.08 0.72 114.58 119.82 3hk9 h GLU 375 Ca 0.13 -0.17 -0.05 0.00 -1.18 0.00 0.00 59.36 58.10 3hk9 h GLU 375 Cb 0.41 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.85 3hk9 h GLU 375 CO 0.01 0.76 0.08 0.28 -1.18 0.00 0.00 179.01 178.96 3hk9 h VAL 376 N 0.84 1.24 -0.77 0.32 2.07 -1.03 -2.17 116.25 116.76 3hk9 h VAL 376 Ca 0.19 -0.88 -0.05 0.00 0.82 0.00 0.00 66.70 66.78 3hk9 h VAL 376 Cb 0.26 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 3hk9 h VAL 376 CO -0.01 0.31 0.27 -0.07 0.02 0.00 0.00 177.57 178.09 3hk9 h LEU 377 N 0.59 1.09 -0.28 2.57 3.38 -0.61 -1.40 115.31 120.64 3hk9 h LEU 377 Ca 0.14 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.93 3hk9 h LEU 377 Cb 0.37 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3hk9 h LEU 377 CO 0.01 0.99 0.16 0.40 0.09 0.00 0.00 178.44 180.09 3hk9 h ILE 378 N 1.13 1.03 -0.25 1.22 2.04 -0.64 0.06 117.51 122.10 3hk9 h ILE 378 Ca 0.25 -0.12 0.01 0.00 1.00 0.00 0.00 64.86 66.00 3hk9 h ILE 378 Cb 0.26 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 3hk9 h ILE 378 CO -0.01 0.06 0.16 0.44 0.00 0.00 0.00 178.15 178.79 3hk9 h ASP 379 N 0.34 0.26 -0.07 1.72 3.32 -1.03 -0.27 116.42 120.69 3hk9 h ASP 379 Ca 0.11 -0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.06 3hk9 h ASP 379 Cb -0.00 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 3hk9 h ASP 379 CO -0.05 0.19 -0.25 0.11 -1.72 0.00 0.00 179.24 177.52 3hk9 h LYS 380 N 0.32 0.50 -0.06 3.56 6.56 -0.99 -1.56 116.57 124.90 3hk9 h LYS 380 Ca 0.10 -0.19 -0.21 0.00 -1.06 0.00 0.00 60.65 59.29 3hk9 h LYS 380 Cb -0.02 -0.03 0.00 0.00 -0.57 0.00 0.00 32.23 31.61 3hk9 h LYS 380 CO -0.03 0.71 -0.84 1.88 -2.06 0.00 0.00 179.45 179.11 3hk9 h TYR 381 N 0.44 0.70 -0.40 -1.35 0.05 -0.86 -3.12 116.97 112.44 3hk9 h TYR 381 Ca 0.06 -0.34 -0.10 0.00 0.05 0.00 0.00 58.73 58.41 3hk9 h TYR 381 Cb 0.67 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 38.29 3hk9 h TYR 381 CO 0.02 1.14 -0.15 0.22 -1.05 0.00 0.00 178.16 178.34 3hk9 h ASP 382 N 0.32 0.73 -0.79 3.88 3.58 -0.83 0.88 116.42 124.18 3hk9 h ASP 382 Ca -0.06 -0.23 0.01 0.00 0.42 0.00 0.00 57.03 57.17 3hk9 h ASP 382 Cb 1.45 -0.20 -0.04 0.00 1.72 0.00 0.00 39.33 42.26 3hk9 h ASP 382 CO 0.15 0.89 0.52 0.44 -2.88 0.00 0.00 179.24 178.37 3hk9 h ASP 383 N 0.66 0.90 0.86 2.28 3.32 -1.26 0.78 116.42 123.95 3hk9 h ASP 383 Ca 0.11 -0.02 -0.22 0.00 0.02 0.00 0.00 57.03 56.92 3hk9 h ASP 383 Cb 0.63 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 3hk9 h ASP 383 CO 0.04 0.64 -1.02 0.16 -1.72 0.00 0.00 179.24 177.35 3hk9 h ILE 384 N 1.06 1.63 -0.11 0.35 3.07 -1.44 -2.70 117.51 119.37 3hk9 h ILE 384 Ca 0.30 -3.20 0.01 0.00 1.55 0.00 0.00 64.86 63.51 3hk9 h ILE 384 Cb -0.10 2.79 -0.01 0.00 -0.27 0.00 0.00 36.82 39.24 3hk9 h ILE 384 CO -0.07 0.92 0.05 0.25 -1.05 0.00 0.00 178.15 178.25 3hk9 h LEU 385 N 0.03 0.08 -1.75 0.16 5.85 -0.37 -0.86 115.31 118.44 3hk9 h LEU 385 Ca -0.04 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 3hk9 h LEU 385 Cb 1.75 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.77 3hk9 h LEU 385 CO 0.14 0.06 -0.16 1.56 -0.34 0.00 0.00 178.44 179.70 3hk9 h GLN 386 N 0.11 0.00 0.00 1.25 1.08 -0.90 -0.48 115.11 116.17 3hk9 h GLN 386 Ca 0.04 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 3hk9 h GLN 386 Cb 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.44 3hk9 h GLN 386 CO -0.03 0.16 0.00 0.00 -0.95 0.00 0.00 178.83 178.01 3hk9 n ALA 387 N -2.42 2.50 0.00 3.87 0.00 -0.69 -4.86 120.51 118.91 3hk9 n ALA 387 Ca -0.02 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.25 3hk9 n ALA 387 Cb 0.24 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.25 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 0.70 0.71 3.80 0.00 0.00 -0.19 -5.06 105.19 105.14 3hk9 n GLY 388 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.00 3.62 -0.27 1.61 -0.11 -0.41 -5.01 118.94 116.37 3hk9 s TRP 389 Ca 0.00 1.59 -0.17 0.00 1.22 0.00 0.00 56.10 58.74 3hk9 s TRP 389 Cb 0.00 -2.78 -0.03 0.00 -1.50 0.00 0.00 33.47 29.16 3hk9 s TRP 389 CO 0.00 0.21 0.49 -2.00 -4.62 0.00 0.00 176.95 171.03 3hk9 s GLU 390 N -2.21 4.03 -0.22 5.86 2.12 -1.26 -4.32 118.70 122.70 3hk9 s GLU 390 Ca 0.49 0.24 -0.05 0.00 0.36 0.00 0.00 54.97 56.01 3hk9 s GLU 390 Cb -0.16 -3.66 -0.02 0.00 0.26 0.00 0.00 34.13 30.54 3hk9 s GLU 390 CO 0.21 -0.36 -0.00 0.14 -0.54 0.00 0.00 175.26 174.71 3hk9 s VAL 391 N 2.28 3.80 0.20 3.70 -7.23 -1.26 -5.09 120.40 116.80 3hk9 s VAL 391 Ca 0.20 -0.35 -0.01 0.00 -1.81 0.00 0.00 61.98 60.01 3hk9 s VAL 391 Cb -0.16 -2.74 -0.04 0.00 0.56 0.00 0.00 36.38 34.01 3hk9 s VAL 391 CO 0.10 0.41 0.38 0.42 -0.31 0.00 0.00 175.10 176.10 3hk9 s THR 392 N 1.32 5.21 0.39 5.32 -4.23 -1.26 -4.51 115.64 117.89 3hk9 s THR 392 Ca 0.04 -0.37 0.08 0.00 -1.18 0.00 0.00 61.69 60.27 3hk9 s THR 392 Cb -0.15 -3.73 0.19 0.00 1.34 0.00 0.00 72.50 70.15 3hk9 s THR 392 CO 0.00 -0.16 1.95 -0.08 -0.54 0.00 0.00 174.62 175.79 3hk9 h GLU 393 N 2.04 0.34 -0.33 3.99 4.81 -1.99 -1.85 114.58 121.58 3hk9 h GLU 393 Ca -0.48 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 58.59 3hk9 h GLU 393 Cb 1.19 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 3hk9 h GLU 393 CO 0.68 0.38 -0.23 1.49 -0.73 0.00 0.00 179.01 180.61 3hk9 h GLU 394 N 0.33 0.64 -0.16 1.92 4.57 -1.99 -1.04 114.58 118.85 3hk9 h GLU 394 Ca 0.07 -0.25 -0.15 0.00 -1.18 0.00 0.00 59.36 57.85 3hk9 h GLU 394 Cb 0.26 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 3hk9 h GLU 394 CO 0.01 0.82 -0.55 0.93 -1.18 0.00 0.00 179.01 179.04 3hk9 h GLU 395 N 0.56 0.47 -0.37 1.92 5.08 -1.78 -1.82 114.58 118.66 3hk9 h GLU 395 Ca 0.08 -0.30 -0.05 0.00 -1.00 0.00 0.00 59.36 58.09 3hk9 h GLU 395 Cb 0.69 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 3hk9 h GLU 395 CO 0.05 0.90 0.03 0.82 -1.00 0.00 0.00 179.01 179.81 3hk9 h ILE 396 N 0.36 1.25 -0.47 3.13 2.04 -1.10 0.46 117.51 123.18 3hk9 h ILE 396 Ca 0.01 -0.91 -0.04 0.00 1.00 0.00 0.00 64.86 64.92 3hk9 h ILE 396 Cb 1.07 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 38.26 3hk9 h ILE 396 CO 0.10 0.31 0.13 0.11 0.00 0.00 0.00 178.15 178.80 3hk9 h LYS 397 N 0.45 0.69 -0.22 2.37 1.57 -1.08 0.54 116.57 120.89 3hk9 h LYS 397 Ca 0.11 -0.12 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 3hk9 h LYS 397 Cb 0.41 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 3hk9 h LYS 397 CO 0.01 0.62 -0.08 -0.09 -0.57 0.00 0.00 179.45 179.34 3hk9 h ARG 398 N 0.68 0.45 -0.44 3.15 2.43 -1.00 -1.19 114.38 118.46 3hk9 h ARG 398 Ca 0.16 -0.18 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 3hk9 h ARG 398 Cb 0.22 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 3hk9 h ARG 398 CO -0.01 0.70 0.08 -0.44 -1.51 0.00 0.00 179.97 178.80 3hk9 h ASP 399 N 0.17 0.68 -0.49 -3.80 3.32 -0.52 -1.92 116.42 113.86 3hk9 h ASP 399 Ca 0.05 -0.25 -0.05 0.00 0.02 0.00 0.00 57.03 56.80 3hk9 h ASP 399 Cb 0.55 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 3hk9 h ASP 399 CO 0.03 0.76 0.12 0.58 -1.72 0.00 0.00 179.24 179.00 3hk9 h VAL 400 N 0.58 1.23 -0.73 -1.35 2.07 -0.89 -1.96 116.25 115.20 3hk9 h VAL 400 Ca 0.13 -0.85 -0.04 0.00 0.82 0.00 0.00 66.70 66.77 3hk9 h VAL 400 Cb 0.36 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 3hk9 h VAL 400 CO 0.01 0.31 0.31 0.00 0.02 0.00 0.00 177.57 178.22 3hk9 h ALA 401 N 1.32 0.94 0.27 1.67 0.00 -1.01 -2.05 119.26 120.41 3hk9 h ALA 401 Ca 0.18 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3hk9 h ALA 401 Cb 0.32 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3hk9 h ALA 401 CO 0.00 0.55 -0.19 -0.44 0.00 0.00 0.00 179.25 179.17 3hk9 h ASP 402 N 1.04 -0.47 -0.68 0.00 3.32 -0.68 0.25 116.42 119.19 3hk9 h ASP 402 Ca 0.25 0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.35 3hk9 h ASP 402 Cb 0.18 0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.84 3hk9 h ASP 402 CO -0.02 -0.29 0.44 -0.07 -1.72 0.00 0.00 179.24 177.57 3hk9 h LEU 403 N -0.45 0.73 -0.47 1.55 3.38 -1.21 0.14 115.31 118.98 3hk9 h LEU 403 Ca -0.02 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3hk9 h LEU 403 Cb 0.39 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3hk9 h LEU 403 CO 0.01 0.52 -0.48 0.49 0.09 0.00 0.00 178.44 179.07 3hk9 n PHE 404 N -4.65 0.00 0.05 1.13 3.72 -0.78 -4.16 117.46 112.77 3hk9 n PHE 404 Ca 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.46 3hk9 n PHE 404 Cb 0.05 -0.09 0.00 0.00 -0.94 0.00 0.00 39.48 38.50 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 -0.76 -0.79 0.10 4.37 2.88 -0.37 -1.72 113.62 117.31 3hk9 n SER 405 Ca 0.09 0.19 -0.01 0.00 -1.33 0.00 0.00 58.87 57.80 3hk9 n SER 405 Cb 0.38 1.06 0.24 0.00 -0.75 0.00 0.00 64.21 65.14 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 0.24 -0.76 -1.46 3.08 -0.97 -2.94 114.38 111.57 3hk9 h ARG 406 Ca 0.00 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 59.91 3hk9 h ARG 406 Cb 0.00 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.01 3hk9 h ARG 406 CO 0.00 0.59 0.34 -0.91 -1.07 0.00 0.00 179.97 178.92 3hk9 h ASN 407 N 0.20 1.01 0.73 7.04 2.35 -0.94 -0.11 115.58 125.86 3hk9 h ASN 407 Ca 0.02 -0.13 -0.04 0.00 -0.55 0.00 0.00 56.30 55.61 3hk9 h ASN 407 Cb 0.76 -0.26 0.01 0.00 0.05 0.00 0.00 38.32 38.88 3hk9 h ASN 407 CO 0.06 0.87 -0.35 0.15 -1.65 0.00 0.00 177.43 176.51 3hk9 h PHE 408 N 1.09 -0.91 -0.84 1.19 3.57 -1.74 -1.60 116.94 117.70 3hk9 h PHE 408 Ca 0.26 -0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.83 3hk9 h PHE 408 Cb 0.15 0.30 -0.06 0.00 2.79 0.00 0.00 35.95 39.13 3hk9 h PHE 408 CO 0.01 -0.56 0.55 -1.49 -2.23 0.00 0.00 178.31 174.59 3hk9 h TRP 409 N -1.22 0.89 -0.70 0.41 4.06 -1.51 -0.51 115.95 117.37 3hk9 h TRP 409 Ca -0.10 0.02 -0.05 0.00 2.06 0.00 0.00 58.89 60.82 3hk9 h TRP 409 Cb 0.75 -0.29 -0.03 0.00 -1.00 0.00 0.00 29.16 28.59 3hk9 h TRP 409 CO 0.01 0.43 0.23 -0.09 -3.56 0.00 0.00 178.44 175.45 3hk9 h ARG 410 N 0.84 1.08 -0.17 0.49 2.43 -1.01 -1.86 114.38 116.19 3hk9 h ARG 410 Ca 0.38 -0.23 -0.10 0.00 -0.81 0.00 0.00 59.98 59.23 3hk9 h ARG 410 Cb 0.37 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.76 3hk9 h ARG 410 CO -0.15 0.93 -0.27 0.35 -1.51 0.00 0.00 179.97 179.32 3hk9 h PHE 411 N 1.03 0.60 0.00 2.20 3.57 -0.16 -3.03 116.94 121.14 3hk9 h PHE 411 Ca 0.23 -0.20 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3hk9 h PHE 411 Cb 0.29 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.92 3hk9 h PHE 411 CO 0.02 0.90 0.00 1.33 -2.23 0.00 0.00 178.31 178.34 3hk9 n VAL 412 N -4.40 0.49 -2.93 1.41 0.24 -0.33 -4.88 118.33 107.92 3hk9 n VAL 412 Ca -0.06 0.12 -0.11 0.00 -2.04 0.00 0.00 64.34 62.25 3hk9 n VAL 412 Cb 0.45 -0.83 0.04 0.00 -1.47 0.00 0.00 33.84 32.03 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 0.21 0.16 0.00 7.63 0.00 -0.87 -4.80 105.19 107.51 3hk9 n GLY 413 Ca 0.08 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3hk9 n GLY 413 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86