#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 5.17 -0.06 -1.33 1.01 -1.26 -4.88 121.20 119.84 3hk9 s ILE 3 Ca 0.00 -0.93 0.14 0.00 0.00 0.00 0.00 60.65 59.86 3hk9 s ILE 3 Cb 0.00 -4.15 0.27 0.00 0.01 0.00 0.00 42.46 38.59 3hk9 s ILE 3 CO 0.00 -0.61 1.12 -0.46 0.00 0.00 0.00 174.94 174.99 3hk9 n ASN 4 N 5.39 1.05 -3.55 3.58 6.94 -1.26 -4.69 115.26 122.71 3hk9 n ASN 4 Ca -0.11 -2.53 -0.14 0.00 -0.02 0.00 0.00 54.58 51.77 3hk9 n ASN 4 Cb 0.44 -0.33 -0.05 0.00 -2.36 0.00 0.00 39.78 37.48 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 -2.06 -0.49 0.35 0.53 1.04 -1.26 -5.02 113.70 106.78 3hk9 s SER 5 Ca 0.24 0.25 0.03 0.00 0.48 0.00 0.00 55.95 56.95 3hk9 s SER 5 Cb 0.25 0.51 0.64 0.00 0.10 0.00 0.00 66.02 67.51 3hk9 s SER 5 CO -0.06 -0.72 1.99 -0.09 0.98 0.00 0.00 173.24 175.34 3hk9 h ARG 6 N 2.77 0.84 -0.33 4.02 2.43 -1.97 -0.95 114.38 121.19 3hk9 h ARG 6 Ca -0.30 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 58.81 3hk9 h ARG 6 Cb 1.21 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 30.55 3hk9 h ARG 6 CO 0.40 0.56 0.20 1.49 -1.51 0.00 0.00 179.97 181.11 3hk9 h GLU 7 N 0.87 0.44 -0.33 0.20 4.81 -1.99 0.38 114.58 118.95 3hk9 h GLU 7 Ca 0.26 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.38 3hk9 h GLU 7 Cb -0.02 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 3hk9 h GLU 7 CO -0.07 0.33 -0.07 0.28 -0.73 0.00 0.00 179.01 178.75 3hk9 h VAL 8 N 0.42 1.28 -0.29 0.32 2.07 -1.86 -2.77 116.25 115.42 3hk9 h VAL 8 Ca 0.12 -1.11 0.05 0.00 0.82 0.00 0.00 66.70 66.57 3hk9 h VAL 8 Cb -0.00 1.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 3hk9 h VAL 8 CO -0.02 0.36 0.02 0.25 0.02 0.00 0.00 177.57 178.20 3hk9 h LEU 9 N 0.41 -0.07 -0.73 2.57 5.85 -0.87 -1.26 115.31 121.20 3hk9 h LEU 9 Ca 0.08 0.06 0.13 0.00 0.84 0.00 0.00 57.88 58.99 3hk9 h LEU 9 Cb 0.56 0.10 -0.09 0.00 0.37 0.00 0.00 40.66 41.60 3hk9 h LEU 9 CO 0.03 -0.00 0.30 0.00 -0.34 0.00 0.00 178.44 178.42 3hk9 h ALA 10 N 1.24 1.02 0.25 1.25 0.00 -0.13 0.15 119.26 123.04 3hk9 h ALA 10 Ca 0.14 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3hk9 h ALA 10 Cb 0.17 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3hk9 h ALA 10 CO -0.22 -0.19 -0.12 1.49 0.00 0.00 0.00 179.25 180.21 3hk9 h GLU 11 N 0.45 -0.32 -0.78 0.00 4.81 -1.05 -1.39 114.58 116.30 3hk9 h GLU 11 Ca 0.40 0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.61 3hk9 h GLU 11 Cb 0.57 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.99 3hk9 h GLU 11 CO -0.38 -0.17 0.33 0.87 -0.73 0.00 0.00 179.01 178.94 3hk9 h LYS 12 N -0.40 1.16 0.11 1.92 1.79 -0.61 -1.96 116.57 118.57 3hk9 h LYS 12 Ca -0.03 -0.20 -0.01 0.00 -2.18 0.00 0.00 60.65 58.23 3hk9 h LYS 12 Cb 0.30 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 30.76 3hk9 h LYS 12 CO 0.06 0.93 -0.05 0.28 -1.08 0.00 0.00 179.45 179.58 3hk9 h VAL 13 N 1.13 1.06 -0.97 0.50 2.07 -0.68 -1.11 116.25 118.25 3hk9 h VAL 13 Ca 0.26 -0.68 0.07 0.00 0.82 0.00 0.00 66.70 67.18 3hk9 h VAL 13 Cb 0.18 1.49 -0.07 0.00 -1.52 0.00 0.00 31.29 31.38 3hk9 h VAL 13 CO -0.03 0.16 0.62 0.11 0.02 0.00 0.00 177.57 178.45 3hk9 h LYS 14 N -0.46 1.06 -0.40 1.57 1.57 -1.19 0.29 116.57 119.01 3hk9 h LYS 14 Ca -0.01 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.65 3hk9 h LYS 14 Cb 0.38 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 3hk9 h LYS 14 CO 0.02 0.70 0.03 -0.91 -0.57 0.00 0.00 179.45 178.73 3hk9 h ASN 15 N 1.09 0.67 -0.09 0.86 2.35 -1.29 0.51 115.58 119.69 3hk9 h ASN 15 Ca 0.43 -0.28 -0.01 0.00 -0.55 0.00 0.00 56.30 55.89 3hk9 h ASN 15 Cb 0.23 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.41 3hk9 h ASN 15 CO -0.19 0.79 0.04 0.00 -1.65 0.00 0.00 177.43 176.41 3hk9 h ALA 16 N 0.91 0.11 -0.32 -0.83 0.00 -0.56 -0.34 119.26 118.22 3hk9 h ALA 16 Ca 0.12 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3hk9 h ALA 16 Cb 0.42 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3hk9 h ALA 16 CO 0.01 -0.30 0.16 0.28 0.00 0.00 0.00 179.25 179.41 3hk9 h VAL 17 N -0.01 1.15 -0.87 0.00 2.07 -0.93 -0.19 116.25 117.48 3hk9 h VAL 17 Ca 0.03 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.12 3hk9 h VAL 17 Cb 0.17 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 3hk9 h VAL 17 CO -0.00 0.16 0.56 0.78 0.02 0.00 0.00 177.57 179.09 3hk9 h ASN 18 N 0.39 1.01 1.38 0.57 -0.26 -0.78 -3.09 115.58 114.80 3hk9 h ASN 18 Ca 0.11 -0.04 -0.01 0.00 -0.56 0.00 0.00 56.30 55.81 3hk9 h ASN 18 Cb 0.11 -0.25 -0.00 0.00 -1.06 0.00 0.00 38.32 37.12 3hk9 h ASN 18 CO -0.01 0.74 -0.62 0.78 -1.06 0.00 0.00 177.43 177.25 3hk9 h ASN 19 N 1.18 0.00 -2.46 5.81 2.35 -0.82 -3.47 115.58 118.17 3hk9 h ASN 19 Ca 0.32 0.00 -0.54 0.00 -0.55 0.00 0.00 56.30 55.53 3hk9 h ASN 19 Cb -0.11 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.27 3hk9 h ASN 19 CO -0.07 0.03 1.17 -1.58 -1.65 0.00 0.00 177.43 175.34 3hk9 s GLN 20 N -3.28 4.16 0.27 0.81 2.00 -0.10 -4.94 119.66 118.57 3hk9 s GLN 20 Ca 0.02 2.46 -0.30 0.00 -2.00 0.00 0.00 55.36 55.55 3hk9 s GLN 20 Cb 0.08 -4.07 -0.10 0.00 0.80 0.00 0.00 33.01 29.72 3hk9 s GLN 20 CO 0.74 -0.91 1.37 -2.14 -0.50 0.00 0.00 175.29 173.85 3hk9 s PRO 21 N 4.22 4.32 -0.08 1.67 0.02 -1.26 -4.94 135.00 138.95 3hk9 s PRO 21 Ca 0.83 2.23 -0.10 0.00 0.02 0.00 0.00 61.00 63.97 3hk9 s PRO 21 Cb -0.39 -3.11 -0.05 0.00 0.02 0.00 0.00 34.50 30.97 3hk9 s PRO 21 CO 0.37 -0.31 0.24 0.08 -0.33 0.00 0.00 177.00 177.06 3hk9 s VAL 22 N -0.40 5.32 -0.31 3.83 1.01 0.02 -4.69 120.40 125.18 3hk9 s VAL 22 Ca 0.55 0.45 -0.07 0.00 0.00 0.00 0.00 61.98 62.91 3hk9 s VAL 22 Cb -0.40 -3.52 0.02 0.00 0.00 0.00 0.00 36.38 32.47 3hk9 s VAL 22 CO 0.46 0.60 0.11 -0.89 0.00 0.00 0.00 175.10 175.38 3hk9 s THR 23 N -1.02 4.05 -0.69 3.92 2.01 -0.57 -0.51 115.64 122.84 3hk9 s THR 23 Ca 0.18 -0.78 -0.19 0.00 0.31 0.00 0.00 61.69 61.21 3hk9 s THR 23 Cb -0.14 -3.15 0.11 0.00 0.01 0.00 0.00 72.50 69.33 3hk9 s THR 23 CO 0.08 -0.01 0.85 -0.62 -0.69 0.00 0.00 174.62 174.22 3hk9 s ASP 24 N 1.49 6.30 0.00 3.53 -1.08 0.01 -4.71 116.67 122.22 3hk9 s ASP 24 Ca 0.02 -1.52 0.13 0.00 -0.52 0.00 0.00 52.55 50.65 3hk9 s ASP 24 Cb -0.18 -2.34 0.75 0.00 -1.46 0.00 0.00 42.92 39.69 3hk9 s ASP 24 CO 0.03 -1.15 1.35 1.15 0.52 0.00 0.00 175.17 177.07 3hk9 n MET 25 N 6.55 0.82 -3.22 4.34 0.00 -1.26 -0.84 117.12 123.51 3hk9 n MET 25 Ca -0.01 0.00 0.03 0.00 0.00 0.00 0.00 57.70 57.72 3hk9 n MET 25 Cb 0.45 -1.24 -0.02 0.00 0.00 0.00 0.00 33.22 32.41 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 -1.55 0.32 3.17 5.65 -1.26 -4.74 115.29 114.88 3hk9 s HIS 26 Ca 0.19 1.75 0.01 0.00 0.25 0.00 0.00 55.06 57.26 3hk9 s HIS 26 Cb 0.09 0.57 -0.02 0.00 -1.18 0.00 0.00 32.58 32.04 3hk9 s HIS 26 CO 0.15 -0.85 0.36 0.95 -0.65 0.00 0.00 174.74 174.70 3hk9 s THR 27 N 2.85 0.00 -0.26 0.89 -4.23 -0.55 -1.13 115.64 113.21 3hk9 s THR 27 Ca 0.18 -1.79 0.10 0.00 -1.18 0.00 0.00 61.69 58.99 3hk9 s THR 27 Cb -0.15 -2.55 0.45 0.00 1.34 0.00 0.00 72.50 71.59 3hk9 s THR 27 CO -0.21 0.00 1.19 1.41 -0.54 0.00 0.00 174.62 176.47 3hk9 n HIS 28 N -0.55 1.87 -3.56 3.99 8.25 0.23 -2.90 115.22 122.54 3hk9 n HIS 28 Ca 0.04 -1.98 -0.19 0.00 -0.26 0.00 0.00 57.72 55.32 3hk9 n HIS 28 Cb 0.62 -0.30 -0.01 0.00 1.12 0.00 0.00 29.99 31.42 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 -3.42 3.93 0.02 2.41 1.43 -1.17 -4.58 118.68 117.30 3hk9 s LEU 29 Ca 0.45 -0.23 0.01 0.00 -1.03 0.00 0.00 54.13 53.34 3hk9 s LEU 29 Cb 0.39 -2.66 -0.02 0.00 0.03 0.00 0.00 46.19 43.93 3hk9 s LEU 29 CO 0.00 -0.39 -0.05 -0.36 0.23 0.00 0.00 176.35 175.78 3hk9 s PHE 30 N -2.18 0.41 0.28 0.29 0.08 -1.26 -4.45 117.98 111.14 3hk9 s PHE 30 Ca 0.44 -0.43 -0.30 0.00 0.12 0.00 0.00 56.93 56.76 3hk9 s PHE 30 Cb -0.09 -0.26 -0.13 0.00 -0.57 0.00 0.00 43.02 41.97 3hk9 s PHE 30 CO 0.30 -0.11 1.26 0.45 -0.10 0.00 0.00 175.22 177.02 3hk9 n SER 31 N 1.82 2.30 -0.22 1.36 2.88 -1.26 -4.80 113.62 115.70 3hk9 n SER 31 Ca -0.21 1.17 0.23 0.00 -1.33 0.00 0.00 58.87 58.73 3hk9 n SER 31 Cb 0.56 -1.40 0.60 0.00 -0.75 0.00 0.00 64.21 63.22 3hk9 n SER 31 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3hk9 h PRO 32 N 3.10 0.23 0.00 -1.46 0.13 -1.94 -0.89 132.00 131.18 3hk9 h PRO 32 Ca -0.44 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3hk9 h PRO 32 Cb 1.30 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.38 3hk9 h PRO 32 CO 0.68 0.15 0.00 0.27 -0.23 0.00 0.00 178.00 178.87 3hk9 n ASN 33 N -4.43 0.60 0.00 1.44 6.94 -1.26 -2.05 115.26 116.50 3hk9 n ASN 33 Ca 0.20 0.68 0.09 0.00 -0.02 0.00 0.00 54.58 55.52 3hk9 n ASN 33 Cb 0.82 -0.79 0.42 0.00 -2.36 0.00 0.00 39.78 37.87 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 -2.20 0.00 -0.19 -2.53 3.01 -0.34 -4.99 117.46 110.22 3hk9 n PHE 34 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.47 3hk9 n PHE 34 Cb 0.18 -0.44 0.00 0.00 -0.01 0.00 0.00 39.48 39.21 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 0.40 -1.89 0.02 1.37 0.00 -0.87 -4.50 105.19 99.72 3hk9 n GLY 35 Ca 0.06 -1.98 0.02 0.00 0.00 0.00 0.00 46.02 44.11 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 0.02 0.32 1.61 1.02 -1.26 -1.94 120.64 120.41 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 -1.58 1.05 0.00 -0.02 0.00 0.00 31.44 30.89 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 0.00 -3.66 -3.67 2.10 -1.96 -3.37 117.51 106.95 3hk9 h ILE 37 Ca 0.00 -0.17 -0.59 0.00 1.08 0.00 0.00 64.86 65.18 3hk9 h ILE 37 Cb 0.02 1.16 -0.10 0.00 -1.09 0.00 0.00 36.82 36.82 3hk9 h ILE 37 CO 0.00 0.00 0.65 -0.22 -1.08 0.00 0.00 178.15 177.50 3hk9 s LEU 38 N -6.15 3.93 0.12 2.19 2.96 -0.82 -4.81 118.68 116.10 3hk9 s LEU 38 Ca -0.03 0.22 -0.20 0.00 -0.22 0.00 0.00 54.13 53.90 3hk9 s LEU 38 Cb 0.12 -3.27 -0.07 0.00 0.50 0.00 0.00 46.19 43.46 3hk9 s LEU 38 CO 0.45 -1.08 0.62 -0.76 -1.32 0.00 0.00 176.35 174.26 3hk9 s LEU 39 N 3.88 4.49 0.03 -0.68 1.43 -1.26 -5.00 118.68 121.56 3hk9 s LEU 39 Ca 0.39 1.31 -0.27 0.00 -1.03 0.00 0.00 54.13 54.53 3hk9 s LEU 39 Cb -0.10 -3.10 0.09 0.00 0.03 0.00 0.00 46.19 43.12 3hk9 s LEU 39 CO 0.27 0.21 0.81 -1.66 0.23 0.00 0.00 176.35 176.21 3hk9 s TRP 40 N -1.22 -0.41 0.00 0.29 1.48 -1.26 -0.80 118.94 117.01 3hk9 s TRP 40 Ca 0.33 0.31 0.00 0.00 -1.06 0.00 0.00 56.10 55.68 3hk9 s TRP 40 Cb -0.19 0.53 0.00 0.00 -1.16 0.00 0.00 33.47 32.65 3hk9 s TRP 40 CO 0.20 -0.62 0.00 -0.40 -4.06 0.00 0.00 176.95 172.08 3hk9 n ASP 41 N -0.17 0.00 0.01 -2.66 5.68 -1.26 -4.55 116.55 113.61 3hk9 n ASP 41 Ca -0.11 0.00 0.04 0.00 -0.50 0.00 0.00 54.79 54.21 3hk9 n ASP 41 Cb 0.62 0.00 0.42 0.00 -1.14 0.00 0.00 41.12 41.02 3hk9 n ASP 41 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 3hk9 h ILE 42 N 0.00 1.11 -0.45 2.12 6.09 -1.96 -1.55 117.51 122.87 3hk9 h ILE 42 Ca 0.00 -0.26 -0.12 0.00 -1.37 0.00 0.00 64.86 63.11 3hk9 h ILE 42 Cb 0.00 0.59 -0.01 0.00 0.47 0.00 0.00 36.82 37.86 3hk9 h ILE 42 CO 0.00 0.12 -0.18 0.44 -3.07 0.00 0.00 178.15 175.46 3hk9 h ASP 43 N 0.52 0.93 -0.76 2.19 3.32 -1.95 -1.49 116.42 119.18 3hk9 h ASP 43 Ca 0.14 -0.39 -0.05 0.00 0.02 0.00 0.00 57.03 56.74 3hk9 h ASP 43 Cb -0.01 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.25 3hk9 h ASP 43 CO -0.03 1.11 0.26 -0.33 -1.72 0.00 0.00 179.24 178.54 3hk9 h GLU 44 N 0.75 1.17 -0.37 3.56 4.39 -1.68 -2.00 114.58 120.39 3hk9 h GLU 44 Ca 0.10 -0.24 -0.02 0.00 0.34 0.00 0.00 59.36 59.55 3hk9 h GLU 44 Cb 0.74 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 29.20 3hk9 h GLU 44 CO 0.06 0.98 0.15 -0.07 -1.16 0.00 0.00 179.01 178.97 3hk9 h LEU 45 N 1.13 0.51 -1.56 1.33 3.38 -1.10 -2.65 115.31 116.34 3hk9 h LEU 45 Ca 0.25 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 3hk9 h LEU 45 Cb 0.28 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 3hk9 h LEU 45 CO -0.01 0.53 -0.15 -0.07 0.09 0.00 0.00 178.44 178.83 3hk9 h LEU 46 N 0.46 0.00 -3.10 1.67 3.38 -1.05 -2.85 115.31 113.83 3hk9 h LEU 46 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3hk9 h LEU 46 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3hk9 h LEU 46 CO -0.01 0.15 0.00 0.35 0.09 0.00 0.00 178.44 179.02 3hk9 n THR 47 N -3.44 1.73 -1.70 0.22 -2.24 -0.77 -4.73 114.28 103.35 3hk9 n THR 47 Ca -0.01 -1.21 -0.42 0.00 -2.27 0.00 0.00 64.05 60.14 3hk9 n THR 47 Cb 0.32 0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 3hk9 n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hk9 n TYR 48 N 1.02 2.18 0.29 4.78 9.36 -1.02 -4.74 117.16 129.03 3hk9 n TYR 48 Ca 0.24 0.53 0.14 0.00 3.32 0.00 0.00 57.90 62.14 3hk9 n TYR 48 Cb 0.83 -2.39 0.88 0.00 -0.63 0.00 0.00 39.34 38.03 3hk9 n TYR 48 CO 0.00 0.00 0.00 1.12 0.22 0.00 0.00 176.86 178.20 3hk9 h HIS 49 N 2.32 0.00 -0.83 2.98 2.07 -1.92 -0.61 115.15 119.17 3hk9 h HIS 49 Ca -0.47 0.00 0.07 0.00 -2.85 0.00 0.00 60.37 57.12 3hk9 h HIS 49 Cb 1.29 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 31.21 3hk9 h HIS 49 CO 0.49 0.00 0.50 1.88 -3.07 0.00 0.00 177.93 177.74 3hk9 h TYR 50 N 0.00 0.93 0.00 6.12 -1.99 -1.94 -1.17 116.97 118.91 3hk9 h TYR 50 Ca 0.01 0.03 -0.10 0.00 2.00 0.00 0.00 58.73 60.66 3hk9 h TYR 50 Cb 0.03 -0.29 -0.01 0.00 2.00 0.00 0.00 36.73 38.45 3hk9 h TYR 50 CO 0.00 0.45 -0.48 -0.07 -0.00 0.00 0.00 178.16 178.06 3hk9 h LEU 51 N 0.90 0.00 -0.12 3.88 3.38 -1.42 -2.62 115.31 119.31 3hk9 h LEU 51 Ca 0.37 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.33 3hk9 h LEU 51 Cb 0.22 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3hk9 h LEU 51 CO -0.19 0.48 0.03 0.58 0.09 0.00 0.00 178.44 179.43 3hk9 h VAL 52 N 0.00 1.19 -0.36 1.22 2.07 -1.01 0.31 116.25 119.67 3hk9 h VAL 52 Ca -0.00 -0.60 0.04 0.00 0.82 0.00 0.00 66.70 66.96 3hk9 h VAL 52 Cb 1.05 1.36 -0.04 0.00 -1.52 0.00 0.00 31.29 32.14 3hk9 h VAL 52 CO 0.06 0.18 0.14 0.00 0.02 0.00 0.00 177.57 177.96 3hk9 h ALA 53 N 0.83 0.43 -0.45 1.67 0.00 -1.30 -1.69 119.26 118.75 3hk9 h ALA 53 Ca 0.04 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 3hk9 h ALA 53 Cb 0.25 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3hk9 h ALA 53 CO 0.00 -0.25 0.05 0.93 0.00 0.00 0.00 179.25 179.98 3hk9 h GLU 54 N 0.29 0.76 -0.00 0.00 5.08 -1.22 -2.91 114.58 116.58 3hk9 h GLU 54 Ca 0.16 -0.21 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 3hk9 h GLU 54 Cb 0.13 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3hk9 h GLU 54 CO -0.16 0.79 -0.24 -0.24 -1.00 0.00 0.00 179.01 178.16 3hk9 h VAL 55 N 0.61 1.17 0.00 3.13 3.04 -0.13 -2.42 116.25 121.65 3hk9 h VAL 55 Ca 0.13 -0.83 0.00 0.00 -1.01 0.00 0.00 66.70 65.00 3hk9 h VAL 55 Cb 0.42 1.44 0.00 0.00 -2.01 0.00 0.00 31.29 31.14 3hk9 h VAL 55 CO 0.01 0.24 0.00 0.23 -1.01 0.00 0.00 177.57 177.04 3hk9 n MET 56 N -4.25 0.16 0.11 4.17 2.81 -0.66 -1.32 117.12 118.14 3hk9 n MET 56 Ca -0.02 0.41 0.12 0.00 -1.81 0.00 0.00 57.70 56.40 3hk9 n MET 56 Cb 0.29 -1.81 0.26 0.00 -0.71 0.00 0.00 33.22 31.25 3hk9 n MET 56 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3hk9 h ARG 57 N 0.00 0.00 0.00 0.03 3.08 -1.46 -3.39 114.38 112.64 3hk9 h ARG 57 Ca 0.00 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.86 3hk9 h ARG 57 Cb 0.32 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.34 3hk9 h ARG 57 CO 0.00 0.00 -1.68 0.91 -1.07 0.00 0.00 179.97 178.13 3hk9 n TRP 58 N -2.42 0.00 -2.42 3.04 7.02 -0.81 -5.05 117.44 116.79 3hk9 n TRP 58 Ca 0.04 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.15 3hk9 n TRP 58 Cb 0.46 -0.45 -0.03 0.00 -2.42 0.00 0.00 31.31 28.87 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 -2.23 3.45 -1.91 -0.99 -1.32 -0.44 -4.93 115.64 107.27 3hk9 s THR 59 Ca -0.17 1.16 0.18 0.00 -1.21 0.00 0.00 61.69 61.65 3hk9 s THR 59 Cb 0.05 -3.62 0.55 0.00 -1.51 0.00 0.00 72.50 67.97 3hk9 s THR 59 CO 0.24 0.05 1.45 -0.90 -2.21 0.00 0.00 174.62 173.26 3hk9 n ASP 60 N -0.00 3.35 -4.71 8.08 3.85 -1.26 -4.86 116.55 121.00 3hk9 n ASP 60 Ca 0.05 -2.04 -0.42 0.00 -0.71 0.00 0.00 54.79 51.66 3hk9 n ASP 60 Cb 0.48 -0.42 -0.03 0.00 -1.35 0.00 0.00 41.12 39.80 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 -1.26 4.45 0.64 2.12 1.01 -1.26 -5.00 120.40 121.10 3hk9 s VAL 61 Ca 0.41 1.76 -0.17 0.00 0.00 0.00 0.00 61.98 63.98 3hk9 s VAL 61 Cb 0.22 -4.13 -0.01 0.00 0.00 0.00 0.00 36.38 32.46 3hk9 s VAL 61 CO 0.27 0.14 1.18 -0.94 0.00 0.00 0.00 175.10 175.75 3hk9 s SER 62 N 1.01 4.94 0.32 3.32 1.04 -1.26 -4.82 113.70 118.25 3hk9 s SER 62 Ca 0.55 2.29 0.01 0.00 0.48 0.00 0.00 55.95 59.28 3hk9 s SER 62 Cb -0.25 -2.59 0.54 0.00 0.10 0.00 0.00 66.02 63.82 3hk9 s SER 62 CO 0.29 -1.76 1.94 -0.29 0.98 0.00 0.00 173.24 174.40 3hk9 h ILE 63 N 0.41 1.19 -0.46 -1.02 6.09 -1.97 0.70 117.51 122.47 3hk9 h ILE 63 Ca -0.49 -0.51 -0.11 0.00 -1.37 0.00 0.00 64.86 62.38 3hk9 h ILE 63 Cb 1.28 0.40 -0.02 0.00 0.47 0.00 0.00 36.82 38.96 3hk9 h ILE 63 CO 0.54 0.22 -0.17 -0.33 -3.07 0.00 0.00 178.15 175.33 3hk9 h GLU 64 N 0.84 0.88 -0.52 2.19 3.07 -1.92 -2.05 114.58 117.07 3hk9 h GLU 64 Ca 0.21 -0.34 -0.06 0.00 -0.50 0.00 0.00 59.36 58.67 3hk9 h GLU 64 Cb 0.06 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 27.90 3hk9 h GLU 64 CO -0.03 0.98 0.07 0.00 -1.40 0.00 0.00 179.01 178.63 3hk9 h ALA 65 N 1.03 0.69 -0.11 3.43 0.00 -1.69 -2.27 119.26 120.34 3hk9 h ALA 65 Ca 0.11 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.80 3hk9 h ALA 65 Cb 0.70 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 3hk9 h ALA 65 CO 0.05 0.44 -0.06 0.35 0.00 0.00 0.00 179.25 180.03 3hk9 h PHE 66 N 0.75 -0.14 0.00 0.00 3.57 -0.62 -1.30 116.94 119.19 3hk9 h PHE 66 Ca 0.16 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 3hk9 h PHE 66 Cb 0.42 0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.24 3hk9 h PHE 66 CO 0.03 -0.10 -0.04 -1.49 -2.23 0.00 0.00 178.31 174.48 3hk9 h TRP 67 N -0.06 0.00 0.00 0.41 -0.00 -1.26 -1.44 115.95 113.60 3hk9 h TRP 67 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.95 3hk9 h TRP 67 Cb 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.31 3hk9 h TRP 67 CO -0.18 0.04 0.00 0.00 -0.00 0.00 0.00 178.44 178.30 3hk9 h ALA 68 N 1.96 1.00 -2.33 1.49 0.00 -0.66 -3.46 119.26 117.27 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 0.11 0.00 0.00 0.00 0.00 17.79 18.00 3hk9 h ALA 68 CO 0.01 0.00 0.34 -1.64 0.00 0.00 0.00 179.25 177.96 3hk9 s MET 69 N -3.25 2.56 0.74 0.00 -1.94 -0.54 -5.03 119.30 111.84 3hk9 s MET 69 Ca 0.07 1.10 -0.12 0.00 -1.71 0.00 0.00 55.69 55.03 3hk9 s MET 69 Cb 0.07 -1.94 0.04 0.00 2.01 0.00 0.00 34.83 35.01 3hk9 s MET 69 CO 0.62 -1.40 1.11 -1.54 -0.01 0.00 0.00 175.02 173.80 3hk9 s SER 70 N -3.50 5.09 0.25 3.03 1.04 -1.26 -4.80 113.70 113.54 3hk9 s SER 70 Ca 0.60 1.13 -0.03 0.00 0.48 0.00 0.00 55.95 58.13 3hk9 s SER 70 Cb -0.16 -1.88 0.44 0.00 0.10 0.00 0.00 66.02 64.52 3hk9 s SER 70 CO 0.55 -1.57 1.79 0.50 0.98 0.00 0.00 173.24 175.49 3hk9 h LYS 71 N -0.81 0.69 -0.31 4.02 1.63 -1.96 -0.60 116.57 119.24 3hk9 h LYS 71 Ca -0.46 -0.04 -0.12 0.00 -0.85 0.00 0.00 60.65 59.19 3hk9 h LYS 71 Cb 1.27 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 32.73 3hk9 h LYS 71 CO 0.63 0.46 -0.29 -0.09 -3.45 0.00 0.00 179.45 176.71 3hk9 h ARG 72 N 0.71 0.63 -0.49 1.90 2.43 -1.95 -1.98 114.38 115.64 3hk9 h ARG 72 Ca 0.42 -0.27 -0.11 0.00 -0.81 0.00 0.00 59.98 59.20 3hk9 h ARG 72 Cb 0.46 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 3hk9 h ARG 72 CO -0.29 0.85 -0.14 0.93 -1.51 0.00 0.00 179.97 179.80 3hk9 h GLU 73 N 0.54 0.93 -0.21 0.20 5.08 -1.61 -0.20 114.58 119.31 3hk9 h GLU 73 Ca 0.07 -0.35 -0.03 0.00 -1.00 0.00 0.00 59.36 58.05 3hk9 h GLU 73 Cb 0.77 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 3hk9 h GLU 73 CO 0.06 1.00 0.01 1.96 -1.00 0.00 0.00 179.01 181.05 3hk9 h GLN 74 N 0.82 0.37 -0.91 2.33 4.20 -1.02 -0.90 115.11 120.00 3hk9 h GLN 74 Ca 0.12 -0.11 0.02 0.00 0.06 0.00 0.00 58.65 58.75 3hk9 h GLN 74 Cb 0.68 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.38 3hk9 h GLN 74 CO 0.05 0.55 0.60 0.00 -0.67 0.00 0.00 178.83 179.35 3hk9 h ALA 75 N 0.81 1.19 -0.45 3.87 0.00 -1.21 0.07 119.26 123.53 3hk9 h ALA 75 Ca 0.06 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3hk9 h ALA 75 Cb 0.37 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3hk9 h ALA 75 CO 0.01 0.50 0.18 -0.44 0.00 0.00 0.00 179.25 179.50 3hk9 h ASP 76 N 1.19 0.62 0.19 0.00 3.32 -0.80 -0.91 116.42 120.02 3hk9 h ASP 76 Ca 0.35 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 3hk9 h ASP 76 Cb -0.05 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.34 3hk9 h ASP 76 CO -0.10 0.61 -0.09 0.25 -1.72 0.00 0.00 179.24 178.19 3hk9 h LEU 77 N 0.58 -0.22 -0.63 1.55 5.85 -0.38 -1.63 115.31 120.43 3hk9 h LEU 77 Ca 0.15 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.82 3hk9 h LEU 77 Cb 0.19 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 3hk9 h LEU 77 CO -0.01 -0.06 0.38 0.40 -0.34 0.00 0.00 178.44 178.82 3hk9 h ILE 78 N -0.38 1.07 -0.57 4.05 2.04 -0.97 0.16 117.51 122.90 3hk9 h ILE 78 Ca -0.03 -0.26 0.04 0.00 1.00 0.00 0.00 64.86 65.61 3hk9 h ILE 78 Cb 0.29 0.25 -0.04 0.00 -0.74 0.00 0.00 36.82 36.58 3hk9 h ILE 78 CO 0.04 0.14 0.32 -0.25 0.00 0.00 0.00 178.15 178.41 3hk9 h TRP 79 N 0.75 0.60 -0.27 1.37 2.91 -1.07 0.32 115.95 120.57 3hk9 h TRP 79 Ca 0.26 0.02 -0.06 0.00 1.13 0.00 0.00 58.89 60.24 3hk9 h TRP 79 Cb 0.04 -0.19 -0.01 0.00 -0.51 0.00 0.00 29.16 28.49 3hk9 h TRP 79 CO -0.05 0.32 -0.06 1.49 -1.03 0.00 0.00 178.44 179.11 3hk9 h GLU 80 N 0.63 0.51 -0.06 2.65 4.57 -0.63 -1.20 114.58 121.06 3hk9 h GLU 80 Ca 0.24 -0.19 -0.08 0.00 -1.18 0.00 0.00 59.36 58.15 3hk9 h GLU 80 Cb 0.09 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.65 3hk9 h GLU 80 CO -0.13 0.72 -0.28 0.93 -1.18 0.00 0.00 179.01 179.07 3hk9 h GLU 81 N 0.27 0.29 0.00 1.92 4.39 -0.44 -0.68 114.58 120.33 3hk9 h GLU 81 Ca 0.07 -0.24 0.00 0.00 0.34 0.00 0.00 59.36 59.53 3hk9 h GLU 81 Cb 0.53 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 3hk9 h GLU 81 CO 0.03 0.89 -0.78 1.28 -1.16 0.00 0.00 179.01 179.26 3hk9 n LEU 82 N -4.47 0.64 -0.01 1.33 4.77 0.11 -3.73 117.00 115.65 3hk9 n LEU 82 Ca -0.08 -0.09 -0.01 0.00 -0.03 0.00 0.00 56.01 55.80 3hk9 n LEU 82 Cb 0.48 -0.15 -0.01 0.00 -2.33 0.00 0.00 43.42 41.42 3hk9 n LEU 82 CO 0.41 0.11 -0.54 0.49 -1.33 0.00 0.00 177.39 176.53 3hk9 n PHE 83 N -1.70 0.00 -0.10 -1.77 3.72 -0.49 -3.37 117.46 113.75 3hk9 n PHE 83 Ca 0.04 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.20 3hk9 n PHE 83 Cb 0.38 -0.05 -0.12 0.00 -0.94 0.00 0.00 39.48 38.75 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 -2.31 1.57 0.19 4.37 2.08 -0.98 -4.33 119.36 119.95 3hk9 n ILE 84 Ca -0.02 -0.37 0.06 0.00 0.56 0.00 0.00 62.75 62.98 3hk9 n ILE 84 Cb 0.53 -1.81 0.33 0.00 -0.75 0.00 0.00 39.64 37.93 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 -0.60 0.00 -3.39 0.38 1.57 -1.26 -3.44 116.57 109.82 3hk9 h LYS 85 Ca -0.52 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.11 3hk9 h LYS 85 Cb 1.66 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 33.76 3hk9 h LYS 85 CO -0.20 0.36 -0.44 1.03 -0.57 0.00 0.00 179.45 179.63 3hk9 s ARG 86 N -3.56 0.50 0.27 3.15 3.00 -1.24 -5.07 118.95 116.01 3hk9 s ARG 86 Ca 0.01 -0.30 -0.30 0.00 0.00 0.00 0.00 55.73 55.14 3hk9 s ARG 86 Cb 0.11 0.21 -0.10 0.00 0.00 0.00 0.00 34.95 35.17 3hk9 s ARG 86 CO 0.68 -0.12 1.40 -1.12 0.00 0.00 0.00 175.30 176.14 3hk9 s SER 87 N -1.25 6.68 -0.98 0.23 0.01 -1.26 -3.53 113.70 113.60 3hk9 s SER 87 Ca -0.13 2.67 -0.09 0.00 1.31 0.00 0.00 55.95 59.71 3hk9 s SER 87 Cb -0.07 -2.63 -0.07 0.00 0.21 0.00 0.00 66.02 63.47 3hk9 s SER 87 CO 0.02 -0.66 2.16 -0.81 0.41 0.00 0.00 173.24 174.36 3hk9 n PRO 88 N 1.91 2.17 0.08 12.44 -0.04 -1.22 -4.61 135.00 145.74 3hk9 n PRO 88 Ca 0.05 -1.63 0.12 0.00 -0.04 0.00 0.00 63.50 62.00 3hk9 n PRO 88 Cb 0.41 -2.59 0.18 0.00 -0.04 0.00 0.00 33.50 31.46 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 3.58 0.00 -4.23 0.52 -1.51 -1.89 -3.28 116.25 109.44 3hk9 h VAL 89 Ca 0.52 -0.57 -0.51 0.00 -1.23 0.00 0.00 66.70 64.91 3hk9 h VAL 89 Cb 0.27 1.22 0.18 0.00 -2.13 0.00 0.00 31.29 30.83 3hk9 h VAL 89 CO 1.58 0.00 0.23 -0.94 -1.23 0.00 0.00 177.57 177.21 3hk9 s SER 90 N -4.49 3.15 0.17 4.19 1.04 -1.26 -4.75 113.70 111.74 3hk9 s SER 90 Ca 0.06 2.07 -0.12 0.00 0.48 0.00 0.00 55.95 58.44 3hk9 s SER 90 Cb 0.12 -2.54 0.06 0.00 0.10 0.00 0.00 66.02 63.77 3hk9 s SER 90 CO 0.71 -2.94 1.71 -0.08 0.98 0.00 0.00 173.24 173.62 3hk9 h GLU 91 N -1.76 0.86 -0.63 4.02 4.57 -1.97 -0.32 114.58 119.35 3hk9 h GLU 91 Ca -0.44 -0.17 -0.03 0.00 -1.18 0.00 0.00 59.36 57.54 3hk9 h GLU 91 Cb 1.26 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 29.69 3hk9 h GLU 91 CO 0.44 0.75 0.27 0.00 -1.18 0.00 0.00 179.01 179.29 3hk9 h ALA 92 N 1.06 0.82 -0.34 2.92 0.00 -1.95 -0.66 119.26 121.11 3hk9 h ALA 92 Ca 0.19 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 3hk9 h ALA 92 Cb 0.23 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3hk9 h ALA 92 CO -0.01 0.42 -0.32 0.00 0.00 0.00 0.00 179.25 179.33 3hk9 h ARG 94 N 0.60 1.16 -0.37 0.00 2.43 -0.90 -2.40 114.38 114.90 3hk9 h ARG 94 Ca 0.06 -0.07 0.05 0.00 -0.81 0.00 0.00 59.98 59.21 3hk9 h ARG 94 Cb 0.91 -0.26 -0.05 0.00 -0.42 0.00 0.00 29.97 30.15 3hk9 h ARG 94 CO 0.08 0.76 0.10 0.78 -1.51 0.00 0.00 179.97 180.19 3hk9 h GLY 95 N 1.19 0.45 0.53 2.80 0.00 -0.68 -1.26 103.07 106.10 3hk9 h GLY 95 Ca 0.43 -0.05 0.08 0.00 0.00 0.00 0.00 47.33 47.79 3hk9 h GLY 95 CO -0.17 -0.00 0.30 -2.08 0.00 0.00 0.00 176.54 174.59 3hk9 h VAL 96 N 0.24 0.86 -0.28 4.60 2.07 -1.21 -1.23 116.25 121.30 3hk9 h VAL 96 Ca 0.17 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 3hk9 h VAL 96 Cb 0.18 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 3hk9 h VAL 96 CO -0.21 0.10 0.17 -0.07 0.02 0.00 0.00 177.57 177.58 3hk9 h LEU 97 N 0.53 0.34 -1.10 2.57 3.38 -1.19 -1.59 115.31 118.27 3hk9 h LEU 97 Ca 0.30 -0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.27 3hk9 h LEU 97 Cb 0.30 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.90 3hk9 h LEU 97 CO -0.24 0.30 0.61 0.74 0.09 0.00 0.00 178.44 179.93 3hk9 h THR 98 N 0.36 1.13 -0.22 0.22 2.02 -0.64 -0.29 112.91 115.48 3hk9 h THR 98 Ca 0.10 -0.39 -0.01 0.00 0.77 0.00 0.00 66.41 66.88 3hk9 h THR 98 Cb 0.02 -0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 66.31 3hk9 h THR 98 CO -0.02 0.21 0.11 0.00 0.37 0.00 0.00 175.52 176.18 3hk9 h LEU 100 N 0.23 -0.71 -0.71 0.00 3.38 -0.56 -2.33 115.31 114.60 3hk9 h LEU 100 Ca 0.08 0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.20 3hk9 h LEU 100 Cb 0.12 0.21 -0.08 0.00 0.09 0.00 0.00 40.66 41.00 3hk9 h LEU 100 CO -0.01 -0.45 0.32 -0.61 0.09 0.00 0.00 178.44 177.77 3hk9 h GLN 101 N -0.71 0.50 0.00 1.13 4.15 -1.03 -0.01 115.11 119.13 3hk9 h GLN 101 Ca -0.05 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.32 3hk9 h GLN 101 Cb 0.58 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 28.16 3hk9 h GLN 101 CO 0.05 0.33 -0.06 0.78 -1.93 0.00 0.00 178.83 178.00 3hk9 h GLY 102 N 0.51 0.00 -0.24 2.39 0.00 -0.90 -1.27 103.07 103.57 3hk9 h GLY 102 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 3hk9 h GLY 102 CO -0.33 0.00 -0.02 1.04 0.00 0.00 0.00 176.54 177.24 3hk9 n LEU 103 N -3.51 1.29 0.00 3.11 4.77 -0.08 -4.90 117.00 117.67 3hk9 n LEU 103 Ca -0.02 -0.42 0.00 0.00 -0.03 0.00 0.00 56.01 55.54 3hk9 n LEU 103 Cb 0.18 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 3hk9 n LEU 103 CO 0.27 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 3hk9 n GLY 104 N 1.17 0.68 3.85 -0.72 0.00 -0.48 -5.06 105.19 104.63 3hk9 n GLY 104 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 3hk9 n GLY 104 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hk9 s LEU 105 N 0.00 3.78 -0.35 0.99 1.43 -0.82 -4.99 118.68 118.71 3hk9 s LEU 105 Ca 0.00 1.40 -0.05 0.00 -1.03 0.00 0.00 54.13 54.45 3hk9 s LEU 105 Cb 0.00 -4.29 0.06 0.00 0.03 0.00 0.00 46.19 41.99 3hk9 s LEU 105 CO 0.00 -0.45 0.12 -0.62 0.23 0.00 0.00 176.35 175.63 3hk9 s ASP 106 N -2.91 5.27 0.59 2.29 2.15 -1.26 -3.47 116.67 119.32 3hk9 s ASP 106 Ca 0.56 -1.35 0.29 0.00 0.43 0.00 0.00 52.55 52.47 3hk9 s ASP 106 Cb -0.10 -1.85 1.68 0.00 -0.30 0.00 0.00 42.92 42.35 3hk9 s ASP 106 CO 0.28 -0.38 2.13 -0.65 -0.17 0.00 0.00 175.17 176.39 3hk9 h PRO 107 N 8.18 0.00 -0.86 4.34 0.11 -1.92 -2.51 132.00 139.34 3hk9 h PRO 107 Ca -0.21 0.00 0.11 0.00 0.11 0.00 0.00 66.00 66.01 3hk9 h PRO 107 Cb 1.07 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.10 3hk9 h PRO 107 CO 0.62 0.00 0.49 0.00 -0.21 0.00 0.00 178.00 178.91 3hk9 h ALA 108 N 1.82 1.26 0.00 -0.75 0.00 -2.01 -2.09 119.26 117.50 3hk9 h ALA 108 Ca 0.07 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 3hk9 h ALA 108 Cb 0.38 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3hk9 h ALA 108 CO -0.00 0.07 -0.34 1.79 0.00 0.00 0.00 179.25 180.78 3hk9 h THR 109 N 0.79 0.69 -1.67 0.00 1.35 -1.89 -3.46 112.91 108.71 3hk9 h THR 109 Ca 0.43 -1.57 -0.42 0.00 -0.55 0.00 0.00 66.41 64.31 3hk9 h THR 109 Cb 0.45 2.03 -0.11 0.00 -1.73 0.00 0.00 68.15 68.80 3hk9 h THR 109 CO -0.28 0.33 -0.43 0.54 -0.25 0.00 0.00 175.52 175.43 3hk9 n ARG 110 N -3.34 -1.50 -2.63 4.72 1.74 -0.79 -4.89 116.66 109.97 3hk9 n ARG 110 Ca 0.01 1.14 -0.43 0.00 -0.77 0.00 0.00 57.85 57.80 3hk9 n ARG 110 Cb 0.55 -5.60 0.00 0.00 -1.02 0.00 0.00 32.46 26.39 3hk9 n ARG 110 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3hk9 n ASP 111 N -1.52 4.98 -0.18 0.55 -0.08 -1.26 -4.82 116.55 114.22 3hk9 n ASP 111 Ca -0.22 -2.93 0.09 0.00 -1.51 0.00 0.00 54.79 50.22 3hk9 n ASP 111 Cb 0.68 -1.72 0.39 0.00 2.34 0.00 0.00 41.12 42.81 3hk9 n ASP 111 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 3hk9 h LEU 112 N 12.04 0.59 -0.76 -2.67 5.85 -1.98 -1.52 115.31 126.87 3hk9 h LEU 112 Ca 0.43 0.01 -0.12 0.00 0.84 0.00 0.00 57.88 59.05 3hk9 h LEU 112 Cb 0.87 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.77 3hk9 h LEU 112 CO 1.43 0.36 -0.29 1.56 -0.34 0.00 0.00 178.44 181.15 3hk9 h GLN 113 N 0.66 0.61 -0.28 1.25 1.08 -2.00 -1.72 115.11 114.71 3hk9 h GLN 113 Ca 0.33 -0.26 -0.10 0.00 -1.45 0.00 0.00 58.65 57.17 3hk9 h GLN 113 Cb 0.43 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.84 3hk9 h GLN 113 CO -0.12 0.84 -0.20 0.28 -0.95 0.00 0.00 178.83 178.68 3hk9 h VAL 114 N 0.53 1.30 -0.95 -0.54 2.07 -1.74 -2.72 116.25 114.20 3hk9 h VAL 114 Ca 0.07 -1.34 0.10 0.00 0.82 0.00 0.00 66.70 66.35 3hk9 h VAL 114 Cb 0.77 1.55 -0.08 0.00 -1.52 0.00 0.00 31.29 32.01 3hk9 h VAL 114 CO 0.06 0.42 0.59 1.88 0.02 0.00 0.00 177.57 180.55 3hk9 h TYR 115 N 0.37 1.08 -0.23 1.57 0.05 -1.09 -1.54 116.97 117.18 3hk9 h TYR 115 Ca 0.05 0.03 -0.06 0.00 0.05 0.00 0.00 58.73 58.81 3hk9 h TYR 115 Cb 0.74 -0.34 -0.01 0.00 1.01 0.00 0.00 36.73 38.13 3hk9 h TYR 115 CO 0.07 0.46 -0.10 0.00 -1.05 0.00 0.00 178.16 177.54 3hk9 h ARG 116 N 0.98 0.37 -0.07 4.88 3.08 -1.13 -2.63 114.38 119.86 3hk9 h ARG 116 Ca 0.45 -0.09 -0.05 0.00 0.07 0.00 0.00 59.98 60.37 3hk9 h ARG 116 Cb 0.38 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 3hk9 h ARG 116 CO -0.24 0.48 -0.18 0.93 -1.07 0.00 0.00 179.97 179.89 3hk9 h GLU 117 N 0.35 0.11 0.02 0.04 5.08 -0.97 -2.49 114.58 116.73 3hk9 h GLU 117 Ca 0.07 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.42 3hk9 h GLU 117 Cb 0.40 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 3hk9 h GLU 117 CO 0.02 0.30 -0.08 -0.92 -1.00 0.00 0.00 179.01 177.33 3hk9 h TYR 118 N 0.11 -0.21 -0.38 4.33 3.20 -1.38 -3.12 116.97 119.52 3hk9 h TYR 118 Ca 0.02 0.01 -0.15 0.00 3.14 0.00 0.00 58.73 61.75 3hk9 h TYR 118 Cb 0.39 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.75 3hk9 h TYR 118 CO 0.00 -0.13 -0.34 0.74 -1.64 0.00 0.00 178.16 176.79 3hk9 h PHE 119 N -0.15 1.07 -0.59 -3.82 0.04 -1.60 -3.29 116.94 108.60 3hk9 h PHE 119 Ca 0.03 -0.32 0.12 0.00 2.80 0.00 0.00 57.97 60.60 3hk9 h PHE 119 Cb 0.18 -0.23 -0.10 0.00 2.20 0.00 0.00 35.95 38.00 3hk9 h PHE 119 CO -0.14 1.13 -0.04 0.00 -0.60 0.00 0.00 178.31 178.66 3hk9 h ALA 120 N 0.77 0.52 -0.41 2.45 0.00 -1.39 -2.79 119.26 118.41 3hk9 h ALA 120 Ca 0.06 0.20 -0.60 0.00 0.00 0.00 0.00 54.91 54.57 3hk9 h ALA 120 Cb 0.93 0.35 -0.10 0.00 0.00 0.00 0.00 17.79 18.98 3hk9 h ALA 120 CO 0.09 -0.41 1.86 0.36 0.00 0.00 0.00 179.25 181.15 3hk9 n LYS 121 N -5.31 3.56 -3.51 0.00 2.85 -1.19 -4.86 118.16 109.70 3hk9 n LYS 121 Ca 0.08 -2.63 -0.14 0.00 -1.05 0.00 0.00 58.31 54.57 3hk9 n LYS 121 Cb 0.33 -2.47 -0.04 0.00 -0.65 0.00 0.00 35.03 32.20 3hk9 n LYS 121 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 3hk9 s LYS 122 N -0.36 0.95 0.47 -1.58 2.20 -1.06 -5.05 119.74 115.31 3hk9 s LYS 122 Ca 0.60 0.01 0.06 0.00 -0.36 0.00 0.00 55.97 56.28 3hk9 s LYS 122 Cb 0.25 0.44 0.02 0.00 -1.51 0.00 0.00 37.83 37.04 3hk9 s LYS 122 CO -0.11 -0.34 0.65 0.95 -0.36 0.00 0.00 175.35 176.14 3hk9 s THR 123 N -1.96 2.83 0.11 3.43 -4.23 -1.26 -4.98 115.64 109.57 3hk9 s THR 123 Ca -0.04 -0.91 -0.16 0.00 -1.18 0.00 0.00 61.69 59.40 3hk9 s THR 123 Cb -0.00 -2.92 -0.05 0.00 1.34 0.00 0.00 72.50 70.87 3hk9 s THR 123 CO 0.01 0.00 1.51 0.28 -0.54 0.00 0.00 174.62 175.88 3hk9 h SER 124 N 0.44 0.65 -0.59 3.99 0.02 -1.97 -1.94 113.55 114.15 3hk9 h SER 124 Ca -0.39 -0.36 -0.00 0.00 -0.84 0.00 0.00 61.79 60.20 3hk9 h SER 124 Cb 1.28 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 63.62 3hk9 h SER 124 CO 0.46 0.85 0.37 -0.33 -1.14 0.00 0.00 176.83 177.04 3hk9 h GLU 125 N 0.43 0.81 -0.15 3.45 3.07 -1.95 -1.21 114.58 119.03 3hk9 h GLU 125 Ca 0.09 -0.06 -0.16 0.00 -0.50 0.00 0.00 59.36 58.73 3hk9 h GLU 125 Cb 0.56 -0.18 0.01 0.00 -0.84 0.00 0.00 28.75 28.30 3hk9 h GLU 125 CO 0.03 0.57 -0.52 0.93 -1.40 0.00 0.00 179.01 178.62 3hk9 h GLU 126 N 0.83 0.61 -0.54 2.33 5.08 -1.92 -2.69 114.58 118.28 3hk9 h GLU 126 Ca 0.22 -0.46 -0.06 0.00 -1.00 0.00 0.00 59.36 58.05 3hk9 h GLU 126 Cb -0.04 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 3hk9 h GLU 126 CO -0.04 1.08 0.09 0.37 -1.00 0.00 0.00 179.01 179.51 3hk9 h GLN 127 N 0.27 0.86 -0.44 2.33 5.75 -0.99 -0.66 115.11 122.23 3hk9 h GLN 127 Ca -0.02 -0.20 -0.06 0.00 -0.15 0.00 0.00 58.65 58.21 3hk9 h GLN 127 Cb 1.15 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 29.56 3hk9 h GLN 127 CO 0.11 0.81 0.03 -0.39 -2.65 0.00 0.00 178.83 176.74 3hk9 h VAL 128 N 0.82 1.26 -0.25 2.39 -1.51 -1.25 0.30 116.25 118.00 3hk9 h VAL 128 Ca 0.17 -0.98 0.02 0.00 -1.23 0.00 0.00 66.70 64.67 3hk9 h VAL 128 Cb 0.37 1.02 -0.02 0.00 -2.13 0.00 0.00 31.29 30.53 3hk9 h VAL 128 CO 0.01 0.34 0.12 0.44 -1.23 0.00 0.00 177.57 177.25 3hk9 h ASP 129 N 0.62 0.19 0.51 4.19 3.32 -1.11 0.84 116.42 124.97 3hk9 h ASP 129 Ca 0.13 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.17 3hk9 h ASP 129 Cb 0.45 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.98 3hk9 h ASP 129 CO 0.02 0.14 -0.24 0.74 -1.72 0.00 0.00 179.24 178.17 3hk9 h THR 130 N 0.27 0.50 0.21 0.35 2.02 -0.90 -2.60 112.91 112.76 3hk9 h THR 130 Ca 0.10 -0.02 -0.01 0.00 0.77 0.00 0.00 66.41 67.26 3hk9 h THR 130 Cb 0.03 0.51 -0.00 0.00 -1.74 0.00 0.00 68.15 66.94 3hk9 h THR 130 CO -0.07 0.00 -0.13 0.58 0.37 0.00 0.00 175.52 176.27 3hk9 h VAL 131 N -0.69 0.72 -0.24 3.16 2.07 -0.24 -0.08 116.25 120.96 3hk9 h VAL 131 Ca -0.07 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.52 3hk9 h VAL 131 Cb 0.53 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 3hk9 h VAL 131 CO 0.11 0.00 0.19 -0.07 0.02 0.00 0.00 177.57 177.82 3hk9 h LEU 132 N -0.33 0.00 0.03 2.57 3.38 -0.89 0.14 115.31 120.21 3hk9 h LEU 132 Ca -0.02 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 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 0.02 0.00 -0.34 -0.61 0.09 0.00 0.00 178.44 177.59 3hk9 h GLN 133 N 0.00 0.18 -0.40 1.13 -0.00 -1.00 -0.93 115.11 114.09 3hk9 h GLN 133 Ca 0.11 -0.24 -0.07 0.00 -0.00 0.00 0.00 58.65 58.45 3hk9 h GLN 133 Cb 0.48 0.08 -0.02 0.00 0.00 0.00 0.00 27.48 28.02 3hk9 h GLN 133 CO -0.00 1.02 -0.06 -0.07 0.00 0.00 0.00 178.83 179.72 3hk9 h LEU 134 N -0.54 0.65 -0.30 -2.39 3.38 -0.43 -2.68 115.31 113.00 3hk9 h LEU 134 Ca -0.05 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.76 3hk9 h LEU 134 Cb 1.16 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.73 3hk9 h LEU 134 CO 0.07 0.76 -0.25 0.00 0.09 0.00 0.00 178.44 179.11 3hk9 n ALA 135 N -2.48 3.04 -3.83 1.53 0.00 0.44 -4.95 120.51 114.26 3hk9 n ALA 135 Ca 0.02 -0.34 -0.24 0.00 0.00 0.00 0.00 53.44 52.88 3hk9 n ALA 135 Cb 0.31 -1.21 0.01 0.00 0.00 0.00 0.00 19.45 18.57 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 -0.94 -1.15 -4.41 0.00 5.15 -0.48 -4.84 115.26 108.59 3hk9 n ASN 136 Ca 0.11 -0.89 -0.36 0.00 -0.60 0.00 0.00 54.58 52.84 3hk9 n ASN 136 Cb 0.32 -3.63 -0.13 0.00 -0.53 0.00 0.00 39.78 35.82 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 3.97 -0.09 3.44 1.01 -0.48 -0.80 120.40 123.72 3hk9 s VAL 137 Ca 0.07 -0.29 0.12 0.00 0.00 0.00 0.00 61.98 61.88 3hk9 s VAL 137 Cb -0.04 -2.83 -0.24 0.00 0.00 0.00 0.00 36.38 33.27 3hk9 s VAL 137 CO 0.85 0.38 0.49 -1.54 0.00 0.00 0.00 175.10 175.27 3hk9 n SER 138 N 4.76 0.78 -3.92 3.32 3.41 0.34 -4.73 113.62 117.58 3hk9 n SER 138 Ca -0.17 0.30 -0.17 0.00 -0.26 0.00 0.00 58.87 58.57 3hk9 n SER 138 Cb 0.51 0.12 -0.15 0.00 -0.26 0.00 0.00 64.21 64.43 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 -6.02 0.66 -0.12 4.04 1.01 -1.08 -4.72 116.67 110.44 3hk9 s ASP 139 Ca -0.08 -0.09 0.02 0.00 0.71 0.00 0.00 52.55 53.11 3hk9 s ASP 139 Cb 0.07 -0.19 0.01 0.00 1.01 0.00 0.00 42.92 43.83 3hk9 s ASP 139 CO 0.82 0.01 -0.19 -0.69 0.21 0.00 0.00 175.17 175.32 3hk9 s VAL 140 N 0.30 1.83 -0.20 -1.27 1.01 -0.17 -0.81 120.40 121.10 3hk9 s VAL 140 Ca -0.03 -0.85 -0.14 0.00 0.00 0.00 0.00 61.98 60.96 3hk9 s VAL 140 Cb -0.07 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 3hk9 s VAL 140 CO -0.00 0.51 0.33 -0.69 0.00 0.00 0.00 175.10 175.24 3hk9 s VAL 141 N 0.84 5.25 0.68 2.92 1.01 -0.02 -0.38 120.40 130.70 3hk9 s VAL 141 Ca -0.08 0.57 -0.02 0.00 0.00 0.00 0.00 61.98 62.46 3hk9 s VAL 141 Cb -0.15 -3.66 0.09 0.00 0.00 0.00 0.00 36.38 32.65 3hk9 s VAL 141 CO -0.01 0.30 0.94 -0.04 0.00 0.00 0.00 175.10 176.30 3hk9 s MET 142 N 1.05 1.96 -0.31 2.72 -1.94 0.59 -1.48 119.30 121.89 3hk9 s MET 142 Ca 0.16 -0.87 0.02 0.00 -1.71 0.00 0.00 55.69 53.29 3hk9 s MET 142 Cb -0.14 -2.34 0.08 0.00 2.01 0.00 0.00 34.83 34.44 3hk9 s MET 142 CO 0.06 -1.24 0.00 0.99 -0.01 0.00 0.00 175.02 174.83 3hk9 s THR 143 N -3.07 2.51 -0.31 2.05 2.01 -1.14 -3.29 115.64 114.40 3hk9 s THR 143 Ca 0.63 -1.87 -0.08 0.00 0.31 0.00 0.00 61.69 60.68 3hk9 s THR 143 Cb -0.07 -2.63 0.01 0.00 0.01 0.00 0.00 72.50 69.82 3hk9 s THR 143 CO 0.43 -0.31 0.11 0.20 -0.69 0.00 0.00 174.62 174.35 3hk9 s ASN 144 N 1.16 5.28 -0.48 3.53 -0.87 0.20 -4.94 114.94 118.81 3hk9 s ASN 144 Ca 0.00 -0.79 -0.12 0.00 -1.57 0.00 0.00 52.86 50.39 3hk9 s ASN 144 Cb -0.20 -1.91 0.11 0.00 -0.02 0.00 0.00 41.25 39.23 3hk9 s ASN 144 CO -0.05 -0.24 0.38 -0.62 -2.57 0.00 0.00 177.10 174.01 3hk9 s ASP 145 N 1.50 5.88 0.00 -1.22 2.15 -1.26 -0.90 116.67 122.83 3hk9 s ASP 145 Ca 0.02 -1.76 0.05 0.00 0.43 0.00 0.00 52.55 51.29 3hk9 s ASP 145 Cb -0.18 -2.08 0.25 0.00 -0.30 0.00 0.00 42.92 40.61 3hk9 s ASP 145 CO 0.03 -0.72 1.08 -0.81 -0.17 0.00 0.00 175.17 174.58 3hk9 n PRO 146 N 5.04 0.04 0.00 4.34 -0.04 -1.26 -1.45 135.00 141.67 3hk9 n PRO 146 Ca -0.10 0.31 0.12 0.00 -0.04 0.00 0.00 63.50 63.79 3hk9 n PRO 146 Cb 0.41 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.67 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 -1.38 0.00 -3.24 0.54 3.72 -1.26 -4.62 117.46 111.23 3hk9 n PHE 147 Ca 0.02 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.02 3hk9 n PHE 147 Cb 0.05 -0.15 -0.07 0.00 -0.94 0.00 0.00 39.48 38.36 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 -2.67 6.44 0.23 4.37 2.15 -0.53 -4.97 116.67 121.69 3hk9 s ASP 148 Ca 0.19 0.53 -0.07 0.00 0.43 0.00 0.00 52.55 53.63 3hk9 s ASP 148 Cb 0.19 -2.28 0.37 0.00 -0.30 0.00 0.00 42.92 40.89 3hk9 s ASP 148 CO 0.59 -0.27 1.72 0.44 -0.17 0.00 0.00 175.17 177.48 3hk9 h ASP 149 N 7.96 0.18 -0.62 -0.34 3.32 -1.87 0.06 116.42 125.11 3hk9 h ASP 149 Ca -0.29 0.10 -0.09 0.00 0.02 0.00 0.00 57.03 56.77 3hk9 h ASP 149 Cb 1.14 0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.77 3hk9 h ASP 149 CO 0.72 0.08 0.05 0.78 -1.72 0.00 0.00 179.24 179.14 3hk9 h ASN 150 N 0.38 1.04 -0.12 6.45 2.35 -1.95 -2.27 115.58 121.46 3hk9 h ASN 150 Ca 0.36 -0.27 -0.09 0.00 -0.55 0.00 0.00 56.30 55.75 3hk9 h ASN 150 Cb 0.52 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.61 3hk9 h ASN 150 CO -0.38 1.06 -0.27 -0.33 -1.65 0.00 0.00 177.43 175.86 3hk9 h GLU 151 N 0.99 0.40 -0.73 0.81 5.08 -1.71 -3.18 114.58 116.24 3hk9 h GLU 151 Ca 0.19 -0.26 0.08 0.00 -1.00 0.00 0.00 59.36 58.36 3hk9 h GLU 151 Cb 0.50 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.72 3hk9 h GLU 151 CO 0.02 0.87 0.40 -0.09 -1.00 0.00 0.00 179.01 179.21 3hk9 h ARG 152 N -0.01 0.69 -0.77 2.33 2.43 -0.96 -2.28 114.38 115.80 3hk9 h ARG 152 Ca 0.00 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 3hk9 h ARG 152 Cb 0.86 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 30.22 3hk9 h ARG 152 CO 0.06 0.46 0.41 0.82 -1.51 0.00 0.00 179.97 180.21 3hk9 h ILE 153 N 0.71 1.23 -0.51 1.20 2.04 -1.46 -0.46 117.51 120.27 3hk9 h ILE 153 Ca 0.34 -0.58 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 3hk9 h ILE 153 Cb 0.27 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.52 3hk9 h ILE 153 CO -0.22 0.26 0.26 0.28 0.00 0.00 0.00 178.15 178.73 3hk9 h SER 154 N 1.07 0.65 -0.46 1.72 0.02 -1.40 -1.51 113.55 113.65 3hk9 h SER 154 Ca 0.27 -0.12 -0.10 0.00 -0.84 0.00 0.00 61.79 61.00 3hk9 h SER 154 Cb 0.04 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 3hk9 h SER 154 CO -0.04 0.58 -0.11 -0.50 -1.14 0.00 0.00 176.83 175.62 3hk9 h TRP 155 N 0.67 1.00 -0.02 3.45 4.06 -1.19 -1.58 115.95 122.34 3hk9 h TRP 155 Ca 0.18 -0.21 -0.06 0.00 2.06 0.00 0.00 58.89 60.85 3hk9 h TRP 155 Cb 0.09 -0.24 -0.01 0.00 -1.00 0.00 0.00 29.16 28.00 3hk9 h TRP 155 CO -0.01 0.98 -0.26 -0.07 -3.56 0.00 0.00 178.44 175.52 3hk9 h LEU 156 N 0.73 0.03 -0.20 -4.49 3.38 -0.89 -2.07 115.31 111.81 3hk9 h LEU 156 Ca 0.12 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3hk9 h LEU 156 Cb 0.66 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.40 3hk9 h LEU 156 CO 0.05 0.30 0.00 -0.62 0.09 0.00 0.00 178.44 178.25 3hk9 n GLU 157 N -4.22 1.13 -0.25 1.13 1.02 -0.59 -4.89 120.64 113.98 3hk9 n GLU 157 Ca -0.02 -0.19 0.00 0.00 -0.02 0.00 0.00 57.16 56.93 3hk9 n GLU 157 Cb 0.32 -1.35 0.00 0.00 -0.02 0.00 0.00 31.44 30.39 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 0.89 0.64 3.69 0.62 0.00 -0.78 -5.04 105.19 105.22 3hk9 n GLY 158 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.75 4.17 0.01 1.61 -0.14 -0.61 -4.99 119.74 119.04 3hk9 s LYS 159 Ca 0.00 2.46 0.06 0.00 -1.36 0.00 0.00 55.97 57.13 3hk9 s LYS 159 Cb 0.00 -3.57 -0.02 0.00 -1.68 0.00 0.00 37.83 32.56 3hk9 s LYS 159 CO 0.00 -0.78 -0.19 -0.65 -0.76 0.00 0.00 175.35 172.97 3hk9 s GLN 160 N 2.62 1.40 0.65 1.68 -0.21 -1.26 -4.51 119.66 120.02 3hk9 s GLN 160 Ca 0.77 -0.78 -0.16 0.00 0.02 0.00 0.00 55.36 55.21 3hk9 s GLN 160 Cb -0.43 -1.42 -0.00 0.00 1.00 0.00 0.00 33.01 32.16 3hk9 s GLN 160 CO 0.34 0.38 1.16 -1.25 -2.12 0.00 0.00 175.29 173.80 3hk9 s PRO 161 N -0.80 2.72 0.90 2.91 0.04 -1.26 -4.98 135.00 134.54 3hk9 s PRO 161 Ca 0.07 1.61 -0.12 0.00 0.04 0.00 0.00 61.00 62.60 3hk9 s PRO 161 Cb -0.08 -1.92 0.13 0.00 0.04 0.00 0.00 34.50 32.67 3hk9 s PRO 161 CO 0.00 -1.35 1.13 0.16 0.04 0.00 0.00 177.00 176.98 3hk9 s ASP 162 N -2.12 3.55 0.44 6.66 1.47 -1.26 -4.86 116.67 120.56 3hk9 s ASP 162 Ca 0.72 1.04 0.15 0.00 1.18 0.00 0.00 52.55 55.65 3hk9 s ASP 162 Cb -0.25 -1.65 0.84 0.00 -0.34 0.00 0.00 42.92 41.51 3hk9 s ASP 162 CO 0.39 -2.53 1.39 -1.28 0.68 0.00 0.00 175.17 173.82 3hk9 h SER 163 N -1.48 0.00 1.03 2.11 0.87 -2.01 -0.67 113.55 113.40 3hk9 h SER 163 Ca -0.50 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.04 3hk9 h SER 163 Cb 1.32 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.28 3hk9 h SER 163 CO 0.61 0.00 -0.98 0.03 -0.53 0.00 0.00 176.83 175.96 3hk9 h ARG 164 N 0.00 0.00 -5.49 2.24 3.08 -1.90 -3.46 114.38 108.85 3hk9 h ARG 164 Ca 0.00 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 59.41 3hk9 h ARG 164 Cb 0.82 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 30.68 3hk9 h ARG 164 CO 0.00 0.03 -0.64 -0.06 -1.07 0.00 0.00 179.97 178.23 3hk9 s PHE 165 N -3.32 3.09 0.11 3.04 0.08 -0.26 -1.00 117.98 119.72 3hk9 s PHE 165 Ca -0.00 -0.11 0.10 0.00 0.12 0.00 0.00 56.93 57.04 3hk9 s PHE 165 Cb 0.09 -1.93 -0.04 0.00 -0.57 0.00 0.00 43.02 40.58 3hk9 s PHE 165 CO 0.79 0.13 -0.24 -1.01 -0.10 0.00 0.00 175.22 174.78 3hk9 s HIS 166 N 0.02 2.38 0.23 0.36 3.76 0.49 -4.58 115.29 117.95 3hk9 s HIS 166 Ca 0.02 -0.35 -0.12 0.00 -0.15 0.00 0.00 55.06 54.46 3hk9 s HIS 166 Cb -0.13 -1.30 -0.07 0.00 1.11 0.00 0.00 32.58 32.18 3hk9 s HIS 166 CO 0.02 0.32 0.58 0.00 -0.85 0.00 0.00 174.74 174.81 3hk9 s ALA 167 N -1.04 3.53 -0.07 -1.40 0.00 -1.26 -0.30 121.76 121.21 3hk9 s ALA 167 Ca 0.15 -0.19 -0.02 0.00 0.00 0.00 0.00 51.96 51.90 3hk9 s ALA 167 Cb -0.10 -2.51 0.03 0.00 0.00 0.00 0.00 23.12 20.54 3hk9 s ALA 167 CO 0.06 0.47 0.01 0.00 0.00 0.00 0.00 175.76 176.30 3hk9 s ALA 168 N -1.77 0.65 -0.60 0.00 0.00 -1.21 -0.26 121.76 118.57 3hk9 s ALA 168 Ca 0.46 -0.11 -0.28 0.00 0.00 0.00 0.00 51.96 52.04 3hk9 s ALA 168 Cb -0.12 -0.75 0.02 0.00 0.00 0.00 0.00 23.12 22.27 3hk9 s ALA 168 CO 0.20 -0.50 1.31 -1.17 0.00 0.00 0.00 175.76 175.60 3hk9 s LEU 169 N 2.00 3.38 -0.13 0.00 2.96 -0.62 -0.63 118.68 125.63 3hk9 s LEU 169 Ca 0.05 0.09 -0.23 0.00 -0.22 0.00 0.00 54.13 53.82 3hk9 s LEU 169 Cb -0.12 -3.01 -0.03 0.00 0.50 0.00 0.00 46.19 43.53 3hk9 s LEU 169 CO -0.05 -1.65 0.70 -0.60 -1.32 0.00 0.00 176.35 173.43 3hk9 s ARG 170 N 5.34 4.33 -0.17 1.98 6.06 -0.07 -0.67 118.95 135.74 3hk9 s ARG 170 Ca 0.46 0.81 0.14 0.00 -2.50 0.00 0.00 55.73 54.64 3hk9 s ARG 170 Cb -0.09 -3.52 0.36 0.00 0.06 0.00 0.00 34.95 31.77 3hk9 s ARG 170 CO 0.23 -0.12 1.19 1.28 -2.50 0.00 0.00 175.30 175.38 3hk9 n LEU 171 N 4.52 2.53 -0.09 -0.88 4.77 0.45 -4.39 117.00 123.92 3hk9 n LEU 171 Ca -0.00 -3.54 -0.06 0.00 -0.03 0.00 0.00 56.01 52.38 3hk9 n LEU 171 Cb 0.50 -0.48 -0.00 0.00 -2.33 0.00 0.00 43.42 41.11 3hk9 n LEU 171 CO 0.46 1.11 0.73 0.44 -1.33 0.00 0.00 177.39 178.80 3hk9 h ASP 172 N 0.59 -0.64 -0.91 -1.43 5.19 -1.93 -1.81 116.42 115.49 3hk9 h ASP 172 Ca -0.00 0.14 0.11 0.00 -0.62 0.00 0.00 57.03 56.65 3hk9 h ASP 172 Cb 1.01 0.33 -0.07 0.00 0.18 0.00 0.00 39.33 40.79 3hk9 h ASP 172 CO 0.00 -0.22 0.58 -0.65 -3.12 0.00 0.00 179.24 175.83 3hk9 h PRO 173 N -0.15 0.84 -0.07 3.56 0.11 -1.94 0.25 132.00 134.61 3hk9 h PRO 173 Ca 0.17 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.20 3hk9 h PRO 173 Cb 0.41 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 31.32 3hk9 h PRO 173 CO -0.42 0.56 -0.09 1.25 -0.21 0.00 0.00 178.00 179.09 3hk9 h LEU 174 N 0.87 0.19 0.09 2.35 5.85 -1.71 -1.96 115.31 120.99 3hk9 h LEU 174 Ca 0.43 -0.51 -0.26 0.00 0.84 0.00 0.00 57.88 58.38 3hk9 h LEU 174 Cb 0.47 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 3hk9 h LEU 174 CO -0.19 0.67 -1.23 -0.07 -0.34 0.00 0.00 178.44 177.28 3hk9 h LEU 175 N -0.28 0.29 -0.08 2.25 4.07 -1.12 -3.26 115.31 117.19 3hk9 h LEU 175 Ca 0.01 -0.33 0.00 0.00 0.08 0.00 0.00 57.88 57.64 3hk9 h LEU 175 Cb 0.62 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.27 3hk9 h LEU 175 CO 0.02 1.26 -0.86 0.59 -1.08 0.00 0.00 178.44 178.37 3hk9 n ASN 176 N -3.46 0.97 -2.75 -0.43 3.02 0.87 -3.68 115.26 109.82 3hk9 n ASN 176 Ca -0.07 -0.99 -0.04 0.00 -0.03 0.00 0.00 54.58 53.45 3hk9 n ASN 176 Cb 1.00 0.96 0.06 0.00 -0.61 0.00 0.00 39.78 41.19 3hk9 n ASN 176 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3hk9 n GLU 177 N -1.34 1.44 -0.29 3.52 1.02 -0.74 -4.95 120.64 119.29 3hk9 n GLU 177 Ca 0.04 -3.00 0.01 0.00 -0.02 0.00 0.00 57.16 54.19 3hk9 n GLU 177 Cb 0.30 -1.10 0.15 0.00 -0.02 0.00 0.00 31.44 30.77 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 2.50 0.89 -0.83 -0.32 3.20 -1.58 0.21 116.97 121.03 3hk9 h TYR 178 Ca -0.17 0.03 0.11 0.00 3.14 0.00 0.00 58.73 61.83 3hk9 h TYR 178 Cb 1.25 -0.28 -0.06 0.00 1.54 0.00 0.00 36.73 39.18 3hk9 h TYR 178 CO 0.40 0.42 0.54 0.93 -1.64 0.00 0.00 178.16 178.81 3hk9 h GLU 179 N 0.86 0.73 0.09 1.82 4.39 -1.90 0.49 114.58 121.05 3hk9 h GLU 179 Ca 0.37 -0.04 -0.31 0.00 0.34 0.00 0.00 59.36 59.72 3hk9 h GLU 179 Cb 0.25 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 3hk9 h GLU 179 CO -0.20 0.48 -1.66 1.96 -1.16 0.00 0.00 179.01 178.43 3hk9 h GLN 180 N 0.75 0.19 0.00 2.33 7.50 -1.73 -3.38 115.11 120.78 3hk9 h GLN 180 Ca 0.39 -0.33 -0.12 0.00 0.50 0.00 0.00 58.65 59.09 3hk9 h GLN 180 Cb 0.49 0.12 -0.02 0.00 0.05 0.00 0.00 27.48 28.13 3hk9 h GLN 180 CO -0.16 1.00 -0.55 1.15 -1.50 0.00 0.00 178.83 178.77 3hk9 h THR 181 N 0.05 1.12 -0.74 -0.54 2.02 0.10 -3.30 112.91 111.63 3hk9 h THR 181 Ca -0.29 -2.10 0.11 0.00 0.77 0.00 0.00 66.41 64.90 3hk9 h THR 181 Cb 2.01 2.23 -0.05 0.00 -1.74 0.00 0.00 68.15 70.61 3hk9 h THR 181 CO 0.13 0.54 0.49 0.07 0.37 0.00 0.00 175.52 177.11 3hk9 h LYS 182 N 0.00 0.55 -0.51 6.66 2.10 -0.22 -0.61 116.57 124.54 3hk9 h LYS 182 Ca -0.01 -0.03 -0.08 0.00 -2.00 0.00 0.00 60.65 58.53 3hk9 h LYS 182 Cb 1.19 -0.12 -0.02 0.00 -0.90 0.00 0.00 32.23 32.37 3hk9 h LYS 182 CO 0.07 0.36 -0.02 0.45 -2.00 0.00 0.00 179.45 178.32 3hk9 h HIS 183 N 0.56 0.93 -0.52 0.07 3.86 -1.81 -2.27 115.15 115.98 3hk9 h HIS 183 Ca 0.35 -0.14 -0.12 0.00 -1.16 0.00 0.00 60.37 59.29 3hk9 h HIS 183 Cb 0.59 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.79 3hk9 h HIS 183 CO -0.00 0.86 -0.15 0.00 0.86 0.00 0.00 177.93 179.50 3hk9 h ARG 184 N 0.80 1.01 -0.59 2.45 3.08 -1.32 -2.19 114.38 117.62 3hk9 h ARG 184 Ca 0.15 -0.39 0.03 0.00 0.07 0.00 0.00 59.98 59.84 3hk9 h ARG 184 Cb 0.50 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.46 3hk9 h ARG 184 CO 0.03 1.07 0.35 -0.07 -1.07 0.00 0.00 179.97 180.28 3hk9 h LEU 185 N 0.89 0.56 -0.44 3.04 3.38 -1.09 -1.69 115.31 119.96 3hk9 h LEU 185 Ca 0.13 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.13 3hk9 h LEU 185 Cb 0.72 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 3hk9 h LEU 185 CO 0.06 0.39 0.24 0.03 0.09 0.00 0.00 178.44 179.24 3hk9 h ARG 186 N 0.68 0.46 0.00 1.13 3.08 -1.15 -0.62 114.38 117.97 3hk9 h ARG 186 Ca 0.24 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.25 3hk9 h ARG 186 Cb 0.05 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 29.99 3hk9 h ARG 186 CO -0.11 0.31 -0.07 -0.44 -1.07 0.00 0.00 179.97 178.59 3hk9 h ASP 187 N 0.48 0.00 0.60 7.04 3.32 -0.81 -1.17 116.42 125.87 3hk9 h ASP 187 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 3hk9 h ASP 187 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 3hk9 h ASP 187 CO -0.11 0.07 -0.29 0.79 -1.72 0.00 0.00 179.24 177.98 3hk9 n TRP 188 N -3.66 0.00 0.00 4.55 8.01 -0.53 -4.92 117.44 120.88 3hk9 n TRP 188 Ca -0.02 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.17 3hk9 n TRP 188 Cb 0.17 -0.30 0.00 0.00 -2.01 0.00 0.00 31.31 29.17 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 1.03 3.50 6.99 0.00 -0.44 -5.08 105.19 112.65 3hk9 n GLY 189 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 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 3.21 -1.27 1.61 2.02 -0.35 -4.99 117.35 115.57 3hk9 s TYR 190 Ca 0.00 -0.30 -0.14 0.00 -0.37 0.00 0.00 57.07 56.26 3hk9 s TYR 190 Cb 0.00 -2.66 -0.04 0.00 -0.40 0.00 0.00 41.96 38.86 3hk9 s TYR 190 CO 0.00 -0.52 2.29 1.63 -1.57 0.00 0.00 175.55 177.37 3hk9 n LYS 191 N 5.32 2.62 -2.73 -0.62 5.02 -1.26 -3.03 118.16 123.47 3hk9 n LYS 191 Ca -0.10 -2.23 -0.42 0.00 -2.02 0.00 0.00 58.31 53.54 3hk9 n LYS 191 Cb 0.48 -3.02 -0.03 0.00 -0.02 0.00 0.00 35.03 32.44 3hk9 n LYS 191 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3hk9 s VAL 192 N 3.45 4.88 0.63 -0.18 -7.23 -1.26 -4.51 120.40 116.18 3hk9 s VAL 192 Ca 0.53 2.02 -0.08 0.00 -1.81 0.00 0.00 61.98 62.64 3hk9 s VAL 192 Cb 0.14 -4.30 0.01 0.00 0.56 0.00 0.00 36.38 32.80 3hk9 s VAL 192 CO -0.03 0.17 0.97 0.20 -0.31 0.00 0.00 175.10 176.10 3hk9 s ASN 193 N 0.98 5.50 0.17 4.85 0.01 -1.26 -4.96 114.94 120.23 3hk9 s ASN 193 Ca 0.51 0.83 -0.14 0.00 -0.71 0.00 0.00 52.86 53.35 3hk9 s ASN 193 Cb -0.21 -1.74 0.07 0.00 0.41 0.00 0.00 41.25 39.78 3hk9 s ASN 193 CO 0.27 -1.18 1.83 0.44 -1.51 0.00 0.00 177.10 176.95 3hk9 h ASP 194 N -0.36 0.55 -3.11 -1.22 5.19 -2.02 -3.42 116.42 112.03 3hk9 h ASP 194 Ca -0.45 -0.01 -0.48 0.00 -0.62 0.00 0.00 57.03 55.47 3hk9 h ASP 194 Cb 1.26 -0.13 0.02 0.00 0.18 0.00 0.00 39.33 40.66 3hk9 h ASP 194 CO 0.62 0.40 -0.07 -1.83 -3.12 0.00 0.00 179.24 175.23 3hk9 s GLU 195 N -6.15 3.51 -0.95 3.56 -1.05 -1.26 -5.01 118.70 111.35 3hk9 s GLU 195 Ca -0.13 -0.12 -0.19 0.00 -0.15 0.00 0.00 54.97 54.38 3hk9 s GLU 195 Cb 0.12 -2.55 0.13 0.00 -0.44 0.00 0.00 34.13 31.39 3hk9 s GLU 195 CO 0.74 0.01 1.16 -0.46 0.95 0.00 0.00 175.26 177.66 3hk9 s TRP 196 N -2.48 3.11 0.32 4.83 -0.11 -1.26 -4.73 118.94 118.62 3hk9 s TRP 196 Ca 0.43 -1.41 0.00 0.00 1.22 0.00 0.00 56.10 56.35 3hk9 s TRP 196 Cb -0.10 -4.30 0.00 0.00 -1.50 0.00 0.00 33.47 27.57 3hk9 s TRP 196 CO 0.40 -1.51 0.02 0.27 -4.62 0.00 0.00 176.95 171.51 3hk9 n ASN 197 N 6.61 2.83 -0.21 5.86 0.23 -1.26 -4.97 115.26 124.35 3hk9 n ASN 197 Ca 0.25 -2.38 0.01 0.00 -0.53 0.00 0.00 54.58 51.93 3hk9 n ASN 197 Cb 0.49 0.20 0.10 0.00 -2.08 0.00 0.00 39.78 38.50 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 0.12 -0.37 -3.83 4.57 -1.99 -1.17 114.58 111.91 3hk9 h GLU 198 Ca -0.26 -0.01 0.06 0.00 -1.18 0.00 0.00 59.36 57.97 3hk9 h GLU 198 Cb 0.80 -0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 29.31 3hk9 h GLU 198 CO 0.43 0.08 0.04 0.78 -1.18 0.00 0.00 179.01 179.16 3hk9 h GLY 199 N 0.13 0.40 1.14 1.92 0.00 -1.95 -1.07 103.07 103.64 3hk9 h GLY 199 Ca 0.33 0.01 -0.09 0.00 0.00 0.00 0.00 47.33 47.58 3hk9 h GLY 199 CO -0.53 -0.06 0.04 1.76 0.00 0.00 0.00 176.54 177.76 3hk9 h SER 200 N 0.15 1.00 -0.15 0.19 0.02 -1.58 -2.02 113.55 111.17 3hk9 h SER 200 Ca 0.18 -0.26 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 3hk9 h SER 200 Cb 0.23 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 3hk9 h SER 200 CO -0.26 1.03 0.10 0.40 -1.14 0.00 0.00 176.83 176.95 3hk9 h ILE 201 N 0.96 1.04 -0.41 3.27 2.04 -0.76 -1.39 117.51 122.25 3hk9 h ILE 201 Ca 0.18 -0.08 -0.09 0.00 1.00 0.00 0.00 64.86 65.87 3hk9 h ILE 201 Cb 0.50 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 3hk9 h ILE 201 CO 0.02 0.04 -0.11 1.56 0.00 0.00 0.00 178.15 179.67 3hk9 h GLN 202 N 0.20 0.72 -0.24 2.37 1.08 -1.10 -1.44 115.11 116.70 3hk9 h GLN 202 Ca 0.05 -0.23 -0.14 0.00 -1.45 0.00 0.00 58.65 56.89 3hk9 h GLN 202 Cb -0.02 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.34 3hk9 h GLN 202 CO -0.01 0.81 -0.42 0.93 -0.95 0.00 0.00 178.83 179.19 3hk9 h GLU 203 N 0.66 0.58 -0.37 1.46 4.39 -1.16 0.52 114.58 120.66 3hk9 h GLU 203 Ca 0.11 -0.30 -0.11 0.00 0.34 0.00 0.00 59.36 59.41 3hk9 h GLU 203 Cb 0.56 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 3hk9 h GLU 203 CO 0.03 0.89 -0.19 0.28 -1.16 0.00 0.00 179.01 178.87 3hk9 h VAL 204 N 0.47 1.28 -0.63 3.13 2.07 -1.08 0.07 116.25 121.57 3hk9 h VAL 204 Ca 0.04 -1.31 -0.03 0.00 0.82 0.00 0.00 66.70 66.22 3hk9 h VAL 204 Cb 0.93 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 32.00 3hk9 h VAL 204 CO 0.08 0.43 0.29 0.11 0.02 0.00 0.00 177.57 178.51 3hk9 h LYS 205 N 0.57 0.90 -0.51 1.57 1.57 -1.07 -1.70 116.57 117.90 3hk9 h LYS 205 Ca 0.08 -0.12 -0.10 0.00 -1.87 0.00 0.00 60.65 58.64 3hk9 h LYS 205 Cb 0.73 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 3hk9 h LYS 205 CO 0.06 0.70 -0.10 -0.09 -0.57 0.00 0.00 179.45 179.45 3hk9 h ARG 206 N 0.89 0.93 -0.43 3.15 2.43 -0.54 -0.42 114.38 120.40 3hk9 h ARG 206 Ca 0.22 -0.33 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 3hk9 h ARG 206 Cb 0.11 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 3hk9 h ARG 206 CO -0.03 0.98 0.29 0.35 -1.51 0.00 0.00 179.97 180.05 3hk9 h PHE 207 N 0.84 0.54 -0.30 2.20 3.57 -0.31 0.19 116.94 123.66 3hk9 h PHE 207 Ca 0.14 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.62 3hk9 h PHE 207 Cb 0.63 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 3hk9 h PHE 207 CO 0.04 0.34 0.07 -0.07 -2.23 0.00 0.00 178.31 176.46 3hk9 h LEU 208 N 0.58 0.46 -0.27 0.59 3.38 -1.06 -2.16 115.31 116.84 3hk9 h LEU 208 Ca 0.16 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3hk9 h LEU 208 Cb -0.07 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3hk9 h LEU 208 CO -0.04 0.58 0.18 0.74 0.09 0.00 0.00 178.44 179.99 3hk9 h THR 209 N 0.33 1.07 -0.69 0.22 2.02 -0.83 0.12 112.91 115.14 3hk9 h THR 209 Ca 0.09 -0.12 0.08 0.00 0.77 0.00 0.00 66.41 67.23 3hk9 h THR 209 Cb 0.30 0.67 -0.06 0.00 -1.74 0.00 0.00 68.15 67.32 3hk9 h THR 209 CO 0.00 0.07 0.36 0.44 0.37 0.00 0.00 175.52 176.76 3hk9 h ASP 210 N 0.36 0.50 1.14 4.18 3.32 -0.52 -1.10 116.42 124.31 3hk9 h ASP 210 Ca 0.10 0.05 -0.09 0.00 0.02 0.00 0.00 57.03 57.11 3hk9 h ASP 210 Cb -0.04 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 3hk9 h ASP 210 CO -0.02 0.30 -0.42 -0.50 -1.72 0.00 0.00 179.24 176.88 3hk9 h TRP 211 N 0.64 0.00 -0.21 4.55 4.06 -0.91 -2.26 115.95 121.81 3hk9 h TRP 211 Ca 0.33 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 61.21 3hk9 h TRP 211 Cb 0.29 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.45 3hk9 h TRP 211 CO -0.10 0.42 -0.14 0.82 -3.56 0.00 0.00 178.44 175.89 3hk9 h ILE 212 N 0.00 1.31 -0.06 1.49 2.04 0.03 -0.91 117.51 121.42 3hk9 h ILE 212 Ca -0.00 -1.24 -0.07 0.00 1.00 0.00 0.00 64.86 64.54 3hk9 h ILE 212 Cb 1.10 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 38.83 3hk9 h ILE 212 CO 0.05 0.38 -0.31 -0.33 0.00 0.00 0.00 178.15 177.95 3hk9 h GLU 213 N 0.17 0.10 0.12 2.37 5.08 -1.19 0.41 114.58 121.63 3hk9 h GLU 213 Ca 0.04 -0.04 -0.28 0.00 -1.00 0.00 0.00 59.36 58.09 3hk9 h GLU 213 Cb 0.65 -0.01 0.02 0.00 0.50 0.00 0.00 28.75 29.91 3hk9 h GLU 213 CO 0.04 0.41 -1.21 -0.09 -1.00 0.00 0.00 179.01 177.15 3hk9 h ARG 214 N 0.09 0.45 0.00 2.33 2.43 -1.26 -3.37 114.38 115.05 3hk9 h ARG 214 Ca 0.01 -0.64 0.00 0.00 -0.81 0.00 0.00 59.98 58.54 3hk9 h ARG 214 Cb 0.60 0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.37 3hk9 h ARG 214 CO 0.04 1.28 -1.82 -1.33 -1.51 0.00 0.00 179.97 176.63 3hk9 n MET 215 N -3.69 0.59 -3.84 0.20 2.81 -0.36 -5.00 117.12 107.85 3hk9 n MET 215 Ca -0.11 -0.16 -0.30 0.00 -1.81 0.00 0.00 57.70 55.32 3hk9 n MET 215 Cb 0.98 -1.49 0.01 0.00 -0.71 0.00 0.00 33.22 32.02 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 -2.12 -2.98 -4.77 7.83 2.03 0.14 -4.54 116.55 112.14 3hk9 n ASP 216 Ca -0.03 -1.04 -0.36 0.00 0.52 0.00 0.00 54.79 53.89 3hk9 n ASP 216 Cb 0.51 -3.09 0.01 0.00 -0.72 0.00 0.00 41.12 37.84 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 -6.36 3.25 0.38 -0.67 0.04 -1.26 -4.59 135.00 125.79 3hk9 s PRO 217 Ca 0.27 1.72 0.21 0.00 0.04 0.00 0.00 61.00 63.23 3hk9 s PRO 217 Cb -0.10 -2.02 0.24 0.00 0.04 0.00 0.00 34.50 32.65 3hk9 s PRO 217 CO 0.88 -0.96 1.52 -0.39 0.04 0.00 0.00 177.00 178.10 3hk9 h VAL 218 N 1.16 0.25 -2.24 -0.36 -1.51 -0.97 -3.47 116.25 109.11 3hk9 h VAL 218 Ca -0.50 -1.36 0.12 0.00 -1.23 0.00 0.00 66.70 63.73 3hk9 h VAL 218 Cb 1.27 2.10 -0.15 0.00 -2.13 0.00 0.00 31.29 32.39 3hk9 h VAL 218 CO 0.57 0.14 0.51 -0.72 -1.23 0.00 0.00 177.57 176.84 3hk9 s TYR 219 N -3.14 -0.31 -0.09 5.19 -0.85 -1.26 -4.30 117.35 112.58 3hk9 s TYR 219 Ca 0.06 0.16 -0.05 0.00 -0.52 0.00 0.00 57.07 56.72 3hk9 s TYR 219 Cb 0.06 0.55 -0.04 0.00 0.38 0.00 0.00 41.96 42.91 3hk9 s TYR 219 CO 0.70 -0.56 0.11 -1.64 -1.52 0.00 0.00 175.55 172.64 3hk9 s MET 220 N -3.10 3.29 0.11 -3.49 -1.94 -0.98 -1.59 119.30 111.60 3hk9 s MET 220 Ca 0.06 -0.25 0.02 0.00 -1.71 0.00 0.00 55.69 53.81 3hk9 s MET 220 Cb -0.01 -3.06 -0.04 0.00 2.01 0.00 0.00 34.83 33.73 3hk9 s MET 220 CO -0.08 0.74 -0.07 0.00 -0.01 0.00 0.00 175.02 175.60 3hk9 s ALA 221 N -1.04 1.05 -0.18 3.03 0.00 0.15 -0.23 121.76 124.55 3hk9 s ALA 221 Ca 0.16 -1.37 -0.28 0.00 0.00 0.00 0.00 51.96 50.47 3hk9 s ALA 221 Cb -0.12 0.15 0.07 0.00 0.00 0.00 0.00 23.12 23.23 3hk9 s ALA 221 CO 0.06 -0.22 0.73 0.54 0.00 0.00 0.00 175.76 176.87 3hk9 s VAL 222 N -3.58 0.00 -0.06 0.00 0.11 -0.79 -0.41 120.40 115.67 3hk9 s VAL 222 Ca 0.13 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 59.15 3hk9 s VAL 222 Cb 0.05 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.86 3hk9 s VAL 222 CO -0.04 0.00 0.08 -0.94 -3.33 0.00 0.00 175.10 170.87 3hk9 s SER 223 N -0.31 5.78 0.15 3.54 1.04 -1.26 -1.61 113.70 121.04 3hk9 s SER 223 Ca -0.04 0.25 0.07 0.00 0.48 0.00 0.00 55.95 56.71 3hk9 s SER 223 Cb -0.03 -1.73 -0.04 0.00 0.10 0.00 0.00 66.02 64.32 3hk9 s SER 223 CO 0.04 0.34 -0.16 -0.76 0.98 0.00 0.00 173.24 173.69 3hk9 s LEU 224 N -1.29 2.45 0.70 2.42 1.43 0.11 -4.91 118.68 119.59 3hk9 s LEU 224 Ca 0.18 -0.87 -0.11 0.00 -1.03 0.00 0.00 54.13 52.29 3hk9 s LEU 224 Cb -0.12 -0.68 0.01 0.00 0.03 0.00 0.00 46.19 45.43 3hk9 s LEU 224 CO 0.08 -0.11 1.07 -2.16 0.23 0.00 0.00 176.35 175.46 3hk9 s PRO 225 N -2.92 2.93 0.55 1.29 0.04 -1.25 -0.29 135.00 135.34 3hk9 s PRO 225 Ca 0.14 0.67 0.26 0.00 0.04 0.00 0.00 61.00 62.12 3hk9 s PRO 225 Cb -0.04 -2.01 1.46 0.00 0.04 0.00 0.00 34.50 33.95 3hk9 s PRO 225 CO 0.05 -1.03 2.00 -1.35 0.04 0.00 0.00 177.00 176.71 3hk9 h PRO 226 N -0.66 0.00 -0.10 0.56 0.11 -1.75 -0.30 132.00 129.86 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 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 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 -4.15 0.13 -1.64 -1.15 -2.24 -1.26 -3.97 114.28 100.00 3hk9 n THR 227 Ca 0.08 -0.16 -0.49 0.00 -2.27 0.00 0.00 64.05 61.20 3hk9 n THR 227 Cb 0.56 0.03 -0.05 0.00 -2.10 0.00 0.00 70.33 68.77 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 -0.22 1.98 -4.09 4.78 7.35 -0.12 -4.98 117.46 122.16 3hk9 n PHE 228 Ca 0.10 0.40 -0.11 0.00 -0.76 0.00 0.00 57.45 57.07 3hk9 n PHE 228 Cb 0.14 -2.47 -0.11 0.00 0.35 0.00 0.00 39.48 37.39 3hk9 n PHE 228 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 3hk9 s SER 229 N 1.20 0.85 -0.29 -2.13 0.01 -1.26 -4.69 113.70 107.39 3hk9 s SER 229 Ca 0.83 -0.71 -0.18 0.00 1.31 0.00 0.00 55.95 57.20 3hk9 s SER 229 Cb -0.81 0.07 0.13 0.00 0.21 0.00 0.00 66.02 65.62 3hk9 s SER 229 CO 0.44 -0.32 0.95 0.12 0.41 0.00 0.00 173.24 174.85 3hk9 s PHE 230 N -2.23 -0.61 1.10 2.43 2.19 -1.26 -4.53 117.98 115.07 3hk9 s PHE 230 Ca -0.03 1.28 -0.12 0.00 0.33 0.00 0.00 56.93 58.39 3hk9 s PHE 230 Cb -0.04 0.38 0.25 0.00 -1.31 0.00 0.00 43.02 42.30 3hk9 s PHE 230 CO -0.02 -0.30 1.06 -2.14 1.83 0.00 0.00 175.22 175.65 3hk9 s PRO 231 N 1.09 -0.42 -0.29 10.12 0.02 -1.26 -4.18 135.00 140.08 3hk9 s PRO 231 Ca -0.06 1.10 -0.16 0.00 0.02 0.00 0.00 61.00 61.89 3hk9 s PRO 231 Cb -0.04 -1.59 0.14 0.00 0.02 0.00 0.00 34.50 33.02 3hk9 s PRO 231 CO -0.13 -3.47 0.93 -2.00 -0.33 0.00 0.00 177.00 172.00 3hk9 s GLU 232 N -4.49 0.43 -1.31 5.54 2.12 -1.26 -5.06 118.70 114.67 3hk9 s GLU 232 Ca 0.68 0.74 -0.12 0.00 0.36 0.00 0.00 54.97 56.63 3hk9 s GLU 232 Cb -0.25 0.09 0.13 0.00 0.26 0.00 0.00 34.13 34.36 3hk9 s GLU 232 CO 0.63 -0.09 1.83 0.39 -0.54 0.00 0.00 175.26 177.48 3hk9 n GLU 233 N 3.78 3.35 -4.33 4.30 -0.58 -1.26 -3.89 120.64 122.01 3hk9 n GLU 233 Ca -0.19 -3.37 -0.19 0.00 -0.42 0.00 0.00 57.16 52.99 3hk9 n GLU 233 Cb 0.58 -3.10 -0.09 0.00 -0.57 0.00 0.00 31.44 28.26 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 2.23 1.61 0.18 1.62 1.04 -1.26 -5.01 113.70 114.12 3hk9 s SER 234 Ca 0.44 -1.61 -0.10 0.00 0.48 0.00 0.00 55.95 55.15 3hk9 s SER 234 Cb 0.07 0.45 0.08 0.00 0.10 0.00 0.00 66.02 66.72 3hk9 s SER 234 CO -0.01 -0.94 1.69 0.78 0.98 0.00 0.00 173.24 175.74 3hk9 h ASN 235 N 2.17 0.99 -0.49 7.02 2.35 -1.90 -1.82 115.58 123.90 3hk9 h ASN 235 Ca -0.32 -0.25 -0.02 0.00 -0.55 0.00 0.00 56.30 55.16 3hk9 h ASN 235 Cb 1.25 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 39.33 3hk9 h ASN 235 CO 0.48 0.98 0.22 -0.09 -1.65 0.00 0.00 177.43 177.37 3hk9 h ARG 236 N 0.96 0.72 -0.55 0.81 2.43 -1.90 -0.92 114.38 115.92 3hk9 h ARG 236 Ca 0.20 -0.12 -0.07 0.00 -0.81 0.00 0.00 59.98 59.18 3hk9 h ARG 236 Cb 0.40 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 3hk9 h ARG 236 CO 0.01 0.63 0.05 0.78 -1.51 0.00 0.00 179.97 179.93 3hk9 h GLY 237 N 0.65 0.98 1.35 2.80 0.00 -1.64 -1.84 103.07 105.37 3hk9 h GLY 237 Ca 0.17 -0.64 -0.24 0.00 0.00 0.00 0.00 47.33 46.62 3hk9 h GLY 237 CO -0.02 0.60 -0.92 3.21 0.00 0.00 0.00 176.54 179.41 3hk9 h ARG 238 N 0.85 0.60 -0.51 4.80 3.08 -1.17 -2.29 114.38 119.75 3hk9 h ARG 238 Ca 0.17 -0.59 -0.12 0.00 0.07 0.00 0.00 59.98 59.51 3hk9 h ARG 238 Cb 0.43 0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.62 3hk9 h ARG 238 CO 0.01 1.20 -0.16 0.82 -1.07 0.00 0.00 179.97 180.78 3hk9 h ILE 239 N 0.36 1.27 -0.20 2.04 2.04 -1.11 0.17 117.51 122.09 3hk9 h ILE 239 Ca -0.09 -1.31 -0.04 0.00 1.00 0.00 0.00 64.86 64.43 3hk9 h ILE 239 Cb 1.55 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 38.66 3hk9 h ILE 239 CO 0.17 0.46 -0.02 0.40 0.00 0.00 0.00 178.15 179.16 3hk9 h ILE 240 N 0.87 1.27 0.32 -0.67 2.04 -1.38 0.52 117.51 120.48 3hk9 h ILE 240 Ca 0.13 -0.94 -0.02 0.00 1.00 0.00 0.00 64.86 65.03 3hk9 h ILE 240 Cb 0.72 1.49 0.00 0.00 -0.74 0.00 0.00 36.82 38.29 3hk9 h ILE 240 CO 0.06 0.28 -0.15 -0.09 0.00 0.00 0.00 178.15 178.25 3hk9 h ARG 241 N 0.11 -0.41 0.00 2.37 2.43 -1.32 -1.05 114.38 116.51 3hk9 h ARG 241 Ca 0.05 0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 3hk9 h ARG 241 Cb 0.43 0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.08 3hk9 h ARG 241 CO 0.01 -0.13 -0.54 -0.44 -1.51 0.00 0.00 179.97 177.37 3hk9 h ASP 242 N -0.68 0.00 0.00 -3.80 3.32 -0.73 -3.41 116.42 111.12 3hk9 h ASP 242 Ca -0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.01 3hk9 h ASP 242 Cb 0.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 3hk9 h ASP 242 CO 0.07 0.06 -0.10 0.00 -1.72 0.00 0.00 179.24 177.55 3hk9 h LEU 244 N 0.00 -1.30 -0.26 0.00 7.12 -1.05 -2.19 115.31 117.62 3hk9 h LEU 244 Ca 0.00 0.09 0.03 0.00 0.13 0.00 0.00 57.88 58.13 3hk9 h LEU 244 Cb 0.10 0.41 -0.03 0.00 -0.53 0.00 0.00 40.66 40.61 3hk9 h LEU 244 CO 0.00 -0.69 0.09 -0.07 -0.13 0.00 0.00 178.44 177.64 3hk9 h LEU 245 N -1.06 0.10 -0.69 2.25 3.38 -1.43 0.21 115.31 118.07 3hk9 h LEU 245 Ca -0.07 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 3hk9 h LEU 245 Cb 0.89 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.63 3hk9 h LEU 245 CO -0.00 0.09 0.32 -0.65 0.09 0.00 0.00 178.44 178.29 3hk9 h PRO 246 N 0.21 1.01 -0.25 1.13 0.11 -1.78 -0.56 132.00 131.87 3hk9 h PRO 246 Ca 0.12 -0.16 -0.03 0.00 0.11 0.00 0.00 66.00 66.04 3hk9 h PRO 246 Cb 0.08 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.01 3hk9 h PRO 246 CO -0.12 0.80 0.05 0.28 -0.21 0.00 0.00 178.00 178.80 3hk9 h VAL 247 N 0.97 1.22 -0.94 3.15 2.07 -1.13 -1.34 116.25 120.25 3hk9 h VAL 247 Ca 0.24 -0.74 0.05 0.00 0.82 0.00 0.00 66.70 67.06 3hk9 h VAL 247 Cb 0.14 1.23 -0.06 0.00 -1.52 0.00 0.00 31.29 31.08 3hk9 h VAL 247 CO -0.03 0.24 0.61 0.00 0.02 0.00 0.00 177.57 178.41 3hk9 h ALA 248 N 0.86 1.42 0.16 1.67 0.00 -0.38 -2.49 119.26 120.52 3hk9 h ALA 248 Ca 0.08 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3hk9 h ALA 248 Cb 0.31 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3hk9 h ALA 248 CO 0.00 0.47 -0.08 1.49 0.00 0.00 0.00 179.25 181.13 3hk9 h GLU 249 N 1.15 -0.21 -0.87 0.00 4.81 -0.87 0.19 114.58 118.78 3hk9 h GLU 249 Ca 0.38 0.01 0.20 0.00 -0.13 0.00 0.00 59.36 59.83 3hk9 h GLU 249 Cb 0.07 0.05 -0.12 0.00 0.63 0.00 0.00 28.75 29.38 3hk9 h GLU 249 CO -0.13 0.16 0.38 -0.22 -0.73 0.00 0.00 179.01 178.47 3hk9 h LYS 250 N -0.62 0.42 -0.04 1.92 3.64 -1.00 0.12 116.57 121.01 3hk9 h LYS 250 Ca -0.02 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3hk9 h LYS 250 Cb 0.46 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 3hk9 h LYS 250 CO 0.04 0.28 0.00 0.72 -2.27 0.00 0.00 179.45 178.21 3hk9 n HIS 251 N -5.02 0.02 -3.67 1.91 8.25 -0.96 -4.95 115.22 110.80 3hk9 n HIS 251 Ca 0.20 -0.01 -0.24 0.00 -0.26 0.00 0.00 57.72 57.41 3hk9 n HIS 251 Cb 0.59 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.76 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 0.64 -4.16 -4.50 0.41 4.05 0.42 -4.98 115.26 107.12 3hk9 n ASN 252 Ca 0.17 -0.67 -0.34 0.00 0.45 0.00 0.00 54.58 54.19 3hk9 n ASN 252 Cb 0.45 -4.57 -0.12 0.00 1.23 0.00 0.00 39.78 36.77 3hk9 n ASN 252 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 3hk9 s ILE 253 N -3.39 4.07 0.77 -1.44 1.01 0.52 -4.75 121.20 118.00 3hk9 s ILE 253 Ca 0.39 -0.29 -0.11 0.00 0.00 0.00 0.00 60.65 60.64 3hk9 s ILE 253 Cb -0.18 -2.81 0.05 0.00 0.01 0.00 0.00 42.46 39.53 3hk9 s ILE 253 CO 0.77 0.46 1.09 -2.16 0.00 0.00 0.00 174.94 175.11 3hk9 s PRO 254 N 0.58 2.28 -0.25 2.79 0.04 -1.26 -4.57 135.00 134.60 3hk9 s PRO 254 Ca -0.01 1.17 -0.06 0.00 0.04 0.00 0.00 61.00 62.14 3hk9 s PRO 254 Cb -0.14 -1.90 -0.01 0.00 0.04 0.00 0.00 34.50 32.50 3hk9 s PRO 254 CO 0.02 -1.63 0.02 0.12 0.04 0.00 0.00 177.00 175.58 3hk9 s PHE 255 N -2.90 3.06 -0.24 0.56 5.36 0.28 -2.33 117.98 121.77 3hk9 s PHE 255 Ca 0.61 -0.86 -0.13 0.00 -0.96 0.00 0.00 56.93 55.59 3hk9 s PHE 255 Cb -0.17 -2.18 -0.04 0.00 -0.34 0.00 0.00 43.02 40.28 3hk9 s PHE 255 CO 0.56 -0.52 0.29 0.00 -1.46 0.00 0.00 175.22 174.08 3hk9 s ALA 256 N 1.51 3.57 -0.17 11.12 0.00 0.68 -1.03 121.76 137.44 3hk9 s ALA 256 Ca 0.05 -0.78 0.01 0.00 0.00 0.00 0.00 51.96 51.24 3hk9 s ALA 256 Cb -0.16 -2.52 0.01 0.00 0.00 0.00 0.00 23.12 20.45 3hk9 s ALA 256 CO 0.00 -0.37 -0.18 -1.64 0.00 0.00 0.00 175.76 173.57 3hk9 s MET 257 N 1.43 3.06 -0.44 0.00 1.00 0.59 -1.88 119.30 123.07 3hk9 s MET 257 Ca 0.13 -0.81 -0.05 0.00 0.00 0.00 0.00 55.69 54.96 3hk9 s MET 257 Cb -0.15 -2.58 0.12 0.00 0.00 0.00 0.00 34.83 32.22 3hk9 s MET 257 CO 0.07 -0.13 0.26 -1.64 0.00 0.00 0.00 175.02 173.58 3hk9 s MET 258 N 1.13 2.17 -0.10 2.03 -1.94 -0.63 -2.42 119.30 119.52 3hk9 s MET 258 Ca 0.01 -1.84 -0.07 0.00 -1.71 0.00 0.00 55.69 52.08 3hk9 s MET 258 Cb -0.14 -3.70 -0.04 0.00 2.01 0.00 0.00 34.83 32.96 3hk9 s MET 258 CO -0.08 -1.12 0.17 0.42 -0.01 0.00 0.00 175.02 174.40 3hk9 s ILE 259 N 1.15 5.47 0.00 2.53 1.01 -0.85 0.09 121.20 130.59 3hk9 s ILE 259 Ca 0.08 0.23 0.00 0.00 0.00 0.00 0.00 60.65 60.96 3hk9 s ILE 259 Cb -0.24 -3.44 0.00 0.00 0.01 0.00 0.00 42.46 38.80 3hk9 s ILE 259 CO -0.03 0.59 0.00 0.61 0.00 0.00 0.00 174.94 176.11 3hk9 n GLY 260 N 1.88 1.27 3.72 6.18 0.00 0.60 -0.80 105.19 118.04 3hk9 n GLY 260 Ca -0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.98 4.79 -0.43 1.61 0.11 -0.92 -1.78 120.40 121.81 3hk9 s VAL 261 Ca 0.00 1.86 -0.09 0.00 -2.93 0.00 0.00 61.98 60.82 3hk9 s VAL 261 Cb 0.00 -4.23 0.09 0.00 -1.53 0.00 0.00 36.38 30.71 3hk9 s VAL 261 CO 0.00 0.25 0.28 -0.75 -3.33 0.00 0.00 175.10 171.55 3hk9 s LYS 262 N 0.54 2.59 0.30 1.54 2.20 0.08 -3.87 119.74 123.11 3hk9 s LYS 262 Ca 0.45 -1.52 -0.29 0.00 -0.36 0.00 0.00 55.97 54.26 3hk9 s LYS 262 Cb -0.21 -3.82 -0.10 0.00 -1.51 0.00 0.00 37.83 32.20 3hk9 s LYS 262 CO 0.26 -1.00 1.29 0.15 -0.36 0.00 0.00 175.35 175.69 3hk9 s LYS 263 N 1.42 4.39 -1.25 4.03 -0.14 -1.26 -0.90 119.74 126.02 3hk9 s LYS 263 Ca 0.04 2.15 -0.21 0.00 -1.36 0.00 0.00 55.97 56.59 3hk9 s LYS 263 Cb -0.24 -3.10 0.01 0.00 -1.68 0.00 0.00 37.83 32.82 3hk9 s LYS 263 CO 0.02 -0.17 0.61 0.54 -0.76 0.00 0.00 175.35 175.59 3hk9 n ARG 264 N 1.19 -1.17 0.23 1.68 1.74 -1.21 -4.86 116.66 114.26 3hk9 n ARG 264 Ca 0.01 0.27 0.13 0.00 -0.77 0.00 0.00 57.85 57.49 3hk9 n ARG 264 Cb 0.42 -3.54 0.33 0.00 -1.02 0.00 0.00 32.46 28.64 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 -2.16 0.06 -2.35 1.55 -1.51 -1.00 -3.30 116.25 107.53 3hk9 h VAL 265 Ca -0.68 -0.92 -0.59 0.00 -1.23 0.00 0.00 66.70 63.28 3hk9 h VAL 265 Cb 1.38 1.87 -0.39 0.00 -2.13 0.00 0.00 31.29 32.02 3hk9 h VAL 265 CO 0.54 0.03 -0.92 1.57 -1.23 0.00 0.00 177.57 177.57 3hk9 n HIS 266 N -3.11 0.30 -0.36 5.19 -0.00 -1.07 -5.01 115.22 111.16 3hk9 n HIS 266 Ca 0.03 -3.61 0.28 0.00 -0.00 0.00 0.00 57.72 54.42 3hk9 n HIS 266 Cb 0.47 -0.12 0.54 0.00 -0.00 0.00 0.00 29.99 30.88 3hk9 n HIS 266 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 3hk9 h PRO 267 N 4.99 0.23 0.00 1.57 0.13 -1.82 -0.93 132.00 136.17 3hk9 h PRO 267 Ca 0.19 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3hk9 h PRO 267 Cb 0.85 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 31.93 3hk9 h PRO 267 CO 0.49 0.15 -0.02 0.00 -0.23 0.00 0.00 178.00 178.39 3hk9 h ALA 268 N 1.75 1.14 -0.00 -0.56 0.00 -1.95 -1.99 119.26 117.66 3hk9 h ALA 268 Ca 0.75 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.64 3hk9 h ALA 268 Cb 1.97 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.76 3hk9 h ALA 268 CO -0.52 0.03 -0.03 1.28 0.00 0.00 0.00 179.25 180.01 3hk9 n LEU 269 N -3.31 0.13 0.00 0.00 4.77 -0.35 -4.96 117.00 113.28 3hk9 n LEU 269 Ca -0.02 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 3hk9 n LEU 269 Cb 0.14 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 3hk9 n LEU 269 CO 0.24 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 3hk9 n GLY 270 N 1.23 2.83 0.15 -0.72 0.00 -0.75 -2.00 105.19 105.93 3hk9 n GLY 270 Ca 0.16 -0.25 0.11 0.00 0.00 0.00 0.00 46.02 46.04 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 5.32 0.60 -1.25 1.61 8.00 -1.26 -1.39 116.55 128.18 3hk9 n ASP 271 Ca 0.00 0.72 0.09 0.00 0.71 0.00 0.00 54.79 56.31 3hk9 n ASP 271 Cb 0.00 -0.82 0.29 0.00 -0.02 0.00 0.00 41.12 40.57 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 -1.77 2.65 -1.04 2.24 0.00 -0.85 -4.37 120.51 117.37 3hk9 n ALA 272 Ca -0.00 -1.19 0.03 0.00 0.00 0.00 0.00 53.44 52.28 3hk9 n ALA 272 Cb 0.11 -0.98 0.30 0.00 0.00 0.00 0.00 19.45 18.88 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 1.30 3.83 3.83 0.00 0.00 -0.48 -4.82 105.19 108.84 3hk9 n GLY 273 Ca 0.21 -1.03 -0.37 0.00 0.00 0.00 0.00 46.02 44.83 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 -1.54 6.48 0.20 1.61 1.01 -1.26 -0.56 116.67 122.60 3hk9 s ASP 274 Ca 0.48 0.57 0.02 0.00 0.71 0.00 0.00 52.55 54.34 3hk9 s ASP 274 Cb 0.39 -2.14 0.02 0.00 1.01 0.00 0.00 42.92 42.20 3hk9 s ASP 274 CO 0.10 0.31 0.15 0.33 0.21 0.00 0.00 175.17 176.28 3hk9 n PHE 275 N 2.36 -1.24 -4.25 4.23 7.35 -0.07 -4.93 117.46 120.91 3hk9 n PHE 275 Ca -0.17 -0.84 -0.14 0.00 -0.76 0.00 0.00 57.45 55.55 3hk9 n PHE 275 Cb 0.54 -0.16 -0.10 0.00 0.35 0.00 0.00 39.48 40.10 3hk9 n PHE 275 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 3hk9 s VAL 276 N -0.95 0.85 -0.12 -2.13 0.11 -1.26 -0.74 120.40 116.16 3hk9 s VAL 276 Ca 0.12 -2.00 -0.30 0.00 -2.93 0.00 0.00 61.98 56.87 3hk9 s VAL 276 Cb -0.01 -2.02 0.08 0.00 -1.53 0.00 0.00 36.38 32.90 3hk9 s VAL 276 CO 0.07 -0.58 0.74 -0.83 -3.33 0.00 0.00 175.10 171.18 3hk9 s GLY 277 N -3.17 -0.52 0.31 6.54 0.00 -0.73 -4.82 107.32 104.93 3hk9 s GLY 277 Ca 0.21 1.60 -0.28 0.00 0.00 0.00 0.00 44.72 46.25 3hk9 s GLY 277 CO 0.03 1.15 1.14 1.25 0.00 0.00 0.00 173.10 176.67 3hk9 s LYS 278 N -0.82 4.47 0.32 2.90 2.20 -1.26 -4.49 119.74 123.06 3hk9 s LYS 278 Ca -0.07 1.86 0.08 0.00 -0.36 0.00 0.00 55.97 57.48 3hk9 s LYS 278 Cb -0.01 -3.05 -0.04 0.00 -1.51 0.00 0.00 37.83 33.22 3hk9 s LYS 278 CO 0.07 0.04 0.18 0.00 -0.36 0.00 0.00 175.35 175.28 3hk9 s ALA 279 N -1.23 3.59 0.30 3.13 0.00 -1.26 -4.76 121.76 121.52 3hk9 s ALA 279 Ca 0.48 -1.69 -0.19 0.00 0.00 0.00 0.00 51.96 50.56 3hk9 s ALA 279 Cb -0.32 -0.97 -0.09 0.00 0.00 0.00 0.00 23.12 21.74 3hk9 s ALA 279 CO 0.42 0.08 0.80 0.45 0.00 0.00 0.00 175.76 177.51 3hk9 s SER 280 N -3.88 7.00 0.00 0.00 0.15 -1.25 -4.97 113.70 110.75 3hk9 s SER 280 Ca 0.37 1.48 0.26 0.00 0.70 0.00 0.00 55.95 58.76 3hk9 s SER 280 Cb -0.05 -2.45 0.62 0.00 -1.71 0.00 0.00 66.02 62.43 3hk9 s SER 280 CO 0.24 -0.12 1.49 0.23 1.20 0.00 0.00 173.24 176.28 3hk9 n MET 281 N 0.16 0.26 -0.26 5.44 2.81 -1.26 -4.38 117.12 119.88 3hk9 n MET 281 Ca 0.02 -0.15 0.06 0.00 -1.81 0.00 0.00 57.70 55.82 3hk9 n MET 281 Cb 0.52 -1.50 0.20 0.00 -0.71 0.00 0.00 33.22 31.74 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 0.36 0.27 -0.51 7.83 3.32 -1.93 0.05 116.42 125.80 3hk9 h ASP 282 Ca 0.00 0.12 -0.05 0.00 0.02 0.00 0.00 57.03 57.12 3hk9 h ASP 282 Cb 0.50 0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.13 3hk9 h ASP 282 CO 0.00 0.08 0.14 1.23 -1.72 0.00 0.00 179.24 178.97 3hk9 h GLY 283 N 0.43 0.88 0.99 2.75 0.00 -1.77 -0.24 103.07 106.11 3hk9 h GLY 283 Ca 0.44 -0.54 -0.11 0.00 0.00 0.00 0.00 47.33 47.12 3hk9 h GLY 283 CO -0.43 0.50 -0.20 -2.08 0.00 0.00 0.00 176.54 174.34 3hk9 h VAL 284 N 0.71 1.29 -0.62 4.60 2.07 -1.70 -2.17 116.25 120.43 3hk9 h VAL 284 Ca 0.16 -1.33 0.02 0.00 0.82 0.00 0.00 66.70 66.37 3hk9 h VAL 284 Cb 0.32 1.37 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 3hk9 h VAL 284 CO -0.00 0.44 0.40 -0.08 0.02 0.00 0.00 177.57 178.34 3hk9 h GLU 285 N 0.55 0.77 -0.17 1.57 4.81 -0.87 -1.21 114.58 120.03 3hk9 h GLU 285 Ca 0.08 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 3hk9 h GLU 285 Cb 0.75 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 3hk9 h GLU 285 CO 0.06 0.51 0.07 1.25 -0.73 0.00 0.00 179.01 180.17 3hk9 h HIS 286 N 0.79 0.26 -0.51 0.92 2.76 -0.94 -1.42 115.15 117.02 3hk9 h HIS 286 Ca 0.24 -0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.41 3hk9 h HIS 286 Cb -0.04 -0.08 -0.03 0.00 1.55 0.00 0.00 27.41 28.82 3hk9 h HIS 286 CO -0.04 0.32 0.32 -0.07 -1.30 0.00 0.00 177.93 177.15 3hk9 h LEU 287 N 0.13 0.53 -0.21 0.26 3.38 -1.20 0.18 115.31 118.38 3hk9 h LEU 287 Ca 0.06 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3hk9 h LEU 287 Cb 0.17 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3hk9 h LEU 287 CO -0.01 0.38 0.07 -0.07 0.09 0.00 0.00 178.44 178.90 3hk9 h LEU 288 N 0.64 0.30 -0.11 1.67 3.38 -1.11 -1.64 115.31 118.44 3hk9 h LEU 288 Ca 0.20 -0.19 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 3hk9 h LEU 288 Cb -0.02 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.65 3hk9 h LEU 288 CO -0.07 0.41 -0.25 -0.09 0.09 0.00 0.00 178.44 178.53 3hk9 h ARG 289 N 0.17 0.37 0.00 1.13 2.43 -1.12 -3.31 114.38 114.05 3hk9 h ARG 289 Ca 0.07 -0.25 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 3hk9 h ARG 289 Cb 0.22 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 3hk9 h ARG 289 CO -0.00 0.85 0.00 0.39 -1.51 0.00 0.00 179.97 179.70 3hk9 n GLU 290 N -4.46 0.07 -3.15 0.20 -0.58 0.62 -4.06 120.64 109.29 3hk9 n GLU 290 Ca -0.07 0.10 -0.23 0.00 -0.42 0.00 0.00 57.16 56.54 3hk9 n GLU 290 Cb 0.45 -1.59 -0.05 0.00 -0.57 0.00 0.00 31.44 29.68 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 -1.72 1.61 0.32 -0.32 4.01 -0.62 -4.93 117.16 115.51 3hk9 n TYR 291 Ca 0.06 -3.87 0.20 0.00 -0.16 0.00 0.00 57.90 54.14 3hk9 n TYR 291 Cb 0.34 -0.44 1.08 0.00 -0.31 0.00 0.00 39.34 40.01 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 3.32 0.00 -0.02 -0.72 0.13 -1.70 -0.88 132.00 132.13 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 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 3hk9 h PRO 292 CO 0.63 0.00 -0.07 0.09 -0.23 0.00 0.00 178.00 178.42 3hk9 n ASN 293 N -2.94 1.83 -4.81 1.44 5.03 -1.26 -4.88 115.26 109.66 3hk9 n ASN 293 Ca -0.03 -1.53 -0.33 0.00 0.87 0.00 0.00 54.58 53.56 3hk9 n ASN 293 Cb 0.12 0.05 -0.06 0.00 -1.02 0.00 0.00 39.78 38.87 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 -2.10 5.85 -0.11 6.41 -0.87 -0.34 -4.83 114.94 118.94 3hk9 s ASN 294 Ca 0.32 0.18 -0.05 0.00 -1.57 0.00 0.00 52.86 51.74 3hk9 s ASN 294 Cb 0.20 -1.72 -0.04 0.00 -0.02 0.00 0.00 41.25 39.68 3hk9 s ASN 294 CO 0.37 0.26 0.09 -0.54 -2.57 0.00 0.00 177.10 174.70 3hk9 s LYS 295 N -1.87 3.32 -0.07 -0.60 1.02 -1.26 -4.85 119.74 115.42 3hk9 s LYS 295 Ca 0.25 -0.24 0.02 0.00 0.02 0.00 0.00 55.97 56.02 3hk9 s LYS 295 Cb -0.12 -3.06 0.02 0.00 -0.52 0.00 0.00 37.83 34.15 3hk9 s LYS 295 CO 0.16 0.72 -0.11 -0.06 -0.92 0.00 0.00 175.35 175.14 3hk9 s PHE 296 N -0.88 1.44 -0.20 3.18 0.08 -0.10 -0.56 117.98 120.94 3hk9 s PHE 296 Ca 0.14 -0.57 -0.07 0.00 0.12 0.00 0.00 56.93 56.55 3hk9 s PHE 296 Cb -0.12 -1.09 -0.04 0.00 -0.57 0.00 0.00 43.02 41.21 3hk9 s PHE 296 CO 0.03 -0.32 0.05 -0.51 -0.10 0.00 0.00 175.22 174.37 3hk9 s LEU 297 N 0.88 3.64 -0.01 -0.37 1.43 -0.20 -0.64 118.68 123.40 3hk9 s LEU 297 Ca -0.11 -0.03 0.01 0.00 -1.03 0.00 0.00 54.13 52.98 3hk9 s LEU 297 Cb -0.15 -1.93 0.00 0.00 0.03 0.00 0.00 46.19 44.14 3hk9 s LEU 297 CO 0.01 0.11 -0.05 -0.69 0.23 0.00 0.00 176.35 175.96 3hk9 s VAL 298 N 0.75 0.44 0.01 -1.59 1.01 -0.82 -0.30 120.40 119.91 3hk9 s VAL 298 Ca 0.03 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 61.83 3hk9 s VAL 298 Cb -0.14 -0.41 -0.01 0.00 0.00 0.00 0.00 36.38 35.83 3hk9 s VAL 298 CO 0.02 0.15 -0.02 0.28 0.00 0.00 0.00 175.10 175.53 3hk9 s THR 299 N 0.19 0.14 0.08 3.92 -1.32 -1.02 -1.81 115.64 115.83 3hk9 s THR 299 Ca -0.02 -0.37 0.08 0.00 -1.21 0.00 0.00 61.69 60.17 3hk9 s THR 299 Cb -0.06 -0.18 -0.03 0.00 -1.51 0.00 0.00 72.50 70.72 3hk9 s THR 299 CO -0.00 -0.14 -0.21 -0.04 -2.21 0.00 0.00 174.62 172.02 3hk9 s MET 300 N -0.54 1.21 0.21 7.08 -1.94 -1.26 -2.02 119.30 122.05 3hk9 s MET 300 Ca -0.05 -1.07 0.16 0.00 -1.71 0.00 0.00 55.69 53.02 3hk9 s MET 300 Cb -0.04 -1.42 -0.00 0.00 2.01 0.00 0.00 34.83 35.39 3hk9 s MET 300 CO -0.00 0.34 1.22 1.25 -0.01 0.00 0.00 175.02 177.82 3hk9 h LEU 301 N 4.39 0.00 -9.39 -0.03 5.85 -1.27 -3.42 115.31 111.43 3hk9 h LEU 301 Ca -0.45 0.00 -0.56 0.00 0.84 0.00 0.00 57.88 57.71 3hk9 h LEU 301 Cb 1.17 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.14 3hk9 h LEU 301 CO 0.41 0.49 0.02 -0.55 -0.34 0.00 0.00 178.44 178.48 3hk9 s SER 302 N -6.18 6.93 0.38 1.25 0.15 -1.26 -4.57 113.70 110.40 3hk9 s SER 302 Ca 0.02 1.12 0.10 0.00 0.70 0.00 0.00 55.95 57.88 3hk9 s SER 302 Cb 0.08 -2.38 0.85 0.00 -1.71 0.00 0.00 66.02 62.86 3hk9 s SER 302 CO 0.77 -0.04 1.91 -0.09 1.20 0.00 0.00 173.24 176.99 3hk9 h ARG 303 N 6.49 0.62 0.00 5.44 2.43 -1.95 -1.42 114.38 125.99 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 1.19 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 3hk9 h ARG 303 CO 0.74 0.41 0.00 0.39 -1.51 0.00 0.00 179.97 180.00 3hk9 n GLU 304 N -4.51 0.32 -0.01 0.20 4.71 -1.26 -2.76 120.64 117.33 3hk9 n GLU 304 Ca 0.14 0.09 0.10 0.00 -0.01 0.00 0.00 57.16 57.49 3hk9 n GLU 304 Cb 0.40 -1.50 -0.15 0.00 -1.01 0.00 0.00 31.44 29.17 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 -1.25 0.35 -0.06 1.62 5.03 -0.54 -4.70 115.26 115.72 3hk9 n ASN 305 Ca 0.10 -0.22 -0.08 0.00 0.87 0.00 0.00 54.58 55.25 3hk9 n ASN 305 Cb 0.14 1.75 -0.02 0.00 -1.02 0.00 0.00 39.78 40.64 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 0.15 -0.01 3.52 1.08 -1.54 -1.45 115.11 116.85 3hk9 h GLN 306 Ca 0.00 -0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.19 3hk9 h GLN 306 Cb 0.86 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 28.25 3hk9 h GLN 306 CO 0.00 0.10 0.00 1.25 -0.95 0.00 0.00 178.83 179.23 3hk9 h HIS 307 N 0.15 0.01 0.00 2.96 2.76 -1.84 -2.58 115.15 116.62 3hk9 h HIS 307 Ca 0.11 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.25 3hk9 h HIS 307 Cb 0.10 -0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.05 3hk9 h HIS 307 CO -0.15 0.19 -0.15 1.05 -1.30 0.00 0.00 177.93 177.57 3hk9 h GLU 308 N -0.16 0.00 -0.57 5.26 4.11 -1.85 -1.49 114.58 119.88 3hk9 h GLU 308 Ca 0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.35 3hk9 h GLU 308 Cb 0.18 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 3hk9 h GLU 308 CO -0.00 0.15 0.03 1.25 0.07 0.00 0.00 179.01 180.51 3hk9 h LEU 309 N 0.00 0.93 -0.37 3.06 5.85 -0.97 -0.99 115.31 122.84 3hk9 h LEU 309 Ca -0.00 -0.24 -0.04 0.00 0.84 0.00 0.00 57.88 58.44 3hk9 h LEU 309 Cb 0.35 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 3hk9 h LEU 309 CO 0.02 0.97 0.08 0.58 -0.34 0.00 0.00 178.44 179.75 3hk9 h VAL 310 N 0.90 1.23 -0.69 1.05 2.07 -0.91 -1.79 116.25 118.11 3hk9 h VAL 310 Ca 0.17 -0.79 -0.03 0.00 0.82 0.00 0.00 66.70 66.87 3hk9 h VAL 310 Cb 0.48 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 3hk9 h VAL 310 CO 0.02 0.27 0.31 0.58 0.02 0.00 0.00 177.57 178.77 3hk9 h VAL 311 N 0.44 1.23 -0.33 2.57 2.07 -1.19 -1.80 116.25 119.23 3hk9 h VAL 311 Ca 0.11 -0.66 -0.06 0.00 0.82 0.00 0.00 66.70 66.91 3hk9 h VAL 311 Cb 0.32 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 3hk9 h VAL 311 CO 0.00 0.27 -0.05 0.25 0.02 0.00 0.00 177.57 178.07 3hk9 h LEU 312 N 0.98 0.51 -1.17 2.57 5.85 -0.87 -1.44 115.31 121.73 3hk9 h LEU 312 Ca 0.24 -0.11 -0.08 0.00 0.84 0.00 0.00 57.88 58.77 3hk9 h LEU 312 Cb 0.13 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 3hk9 h LEU 312 CO -0.03 0.61 -0.28 0.00 -0.34 0.00 0.00 178.44 178.40 3hk9 h ALA 313 N 1.45 1.31 0.00 1.25 0.00 -0.54 -1.32 119.26 121.41 3hk9 h ALA 313 Ca 0.10 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 3hk9 h ALA 313 Cb 0.40 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3hk9 h ALA 313 CO 0.02 0.47 -0.23 0.00 0.00 0.00 0.00 179.25 179.51 3hk9 h ARG 314 N 0.19 0.00 0.22 0.00 3.08 -0.51 -3.14 114.38 114.23 3hk9 h ARG 314 Ca 0.03 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.77 3hk9 h ARG 314 Cb 0.61 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.69 3hk9 h ARG 314 CO 0.04 0.23 -1.37 0.87 -1.07 0.00 0.00 179.97 178.67 3hk9 h LYS 315 N 0.00 0.48 -4.77 0.04 1.79 -0.87 -3.46 116.57 109.78 3hk9 h LYS 315 Ca -0.00 -0.81 -0.60 0.00 -2.18 0.00 0.00 60.65 57.05 3hk9 h LYS 315 Cb 0.45 0.30 -0.35 0.00 -1.58 0.00 0.00 32.23 31.05 3hk9 h LYS 315 CO 0.03 1.39 -0.84 -0.06 -1.08 0.00 0.00 179.45 178.89 3hk9 s PHE 316 N -2.56 2.15 -0.62 -1.35 0.08 -0.69 -4.99 117.98 109.99 3hk9 s PHE 316 Ca -0.11 -1.11 0.24 0.00 0.12 0.00 0.00 56.93 56.07 3hk9 s PHE 316 Cb 0.03 -1.55 0.91 0.00 -0.57 0.00 0.00 43.02 41.85 3hk9 s PHE 316 CO 0.91 -0.58 1.73 -1.13 -0.10 0.00 0.00 175.22 176.05 3hk9 n SER 317 N 4.44 0.66 -0.81 1.36 3.41 -1.26 -2.43 113.62 118.98 3hk9 n SER 317 Ca -0.18 0.62 0.05 0.00 -0.26 0.00 0.00 58.87 59.09 3hk9 n SER 317 Cb 0.51 -0.77 0.16 0.00 -0.26 0.00 0.00 64.21 63.85 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 -2.18 2.31 -4.28 4.04 6.94 -1.26 -4.72 115.26 116.10 3hk9 n ASN 318 Ca 0.04 -2.15 -0.34 0.00 -0.02 0.00 0.00 54.58 52.11 3hk9 n ASN 318 Cb 0.31 -0.35 -0.15 0.00 -2.36 0.00 0.00 39.78 37.23 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 -1.10 2.69 -0.24 -4.53 2.96 -1.02 -0.92 118.68 116.52 3hk9 s LEU 319 Ca 0.24 -0.43 0.01 0.00 -0.22 0.00 0.00 54.13 53.72 3hk9 s LEU 319 Cb 0.14 -1.65 0.04 0.00 0.50 0.00 0.00 46.19 45.22 3hk9 s LEU 319 CO 0.13 0.03 -0.11 -0.32 -1.32 0.00 0.00 176.35 174.76 3hk9 s MET 320 N 1.16 2.64 0.32 1.98 -2.45 0.18 -4.93 119.30 118.20 3hk9 s MET 320 Ca 0.01 -1.09 -0.15 0.00 -1.25 0.00 0.00 55.69 53.22 3hk9 s MET 320 Cb -0.14 -2.85 -0.09 0.00 1.25 0.00 0.00 34.83 32.99 3hk9 s MET 320 CO -0.03 -0.42 0.74 0.96 1.05 0.00 0.00 175.02 177.31 3hk9 s ILE 321 N 1.23 4.67 0.00 10.11 -4.36 -1.26 -1.94 121.20 129.66 3hk9 s ILE 321 Ca -0.02 0.97 -0.12 0.00 -0.26 0.00 0.00 60.65 61.21 3hk9 s ILE 321 Cb -0.17 -3.62 0.02 0.00 1.25 0.00 0.00 42.46 39.93 3hk9 s ILE 321 CO -0.07 -0.16 0.26 0.72 0.24 0.00 0.00 174.94 175.93 3hk9 s PHE 322 N -1.96 -0.09 0.27 1.37 -0.12 -0.75 -1.86 117.98 114.84 3hk9 s PHE 322 Ca 0.53 0.08 0.00 0.00 -0.05 0.00 0.00 56.93 57.49 3hk9 s PHE 322 Cb -0.11 0.05 0.00 0.00 -0.63 0.00 0.00 43.02 42.33 3hk9 s PHE 322 CO 0.18 -0.39 0.00 0.41 -0.05 0.00 0.00 175.22 175.37 3hk9 n GLY 323 N 1.15 -1.47 2.87 1.99 0.00 -0.32 -4.37 105.19 105.05 3hk9 n GLY 323 Ca -0.21 -0.67 -0.29 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.38 3.18 0.00 0.00 -0.00 -1.26 -2.91 118.94 117.57 3hk9 s TRP 325 Ca 0.19 1.13 0.00 0.00 -0.00 0.00 0.00 56.10 57.43 3hk9 s TRP 325 Cb -0.20 -3.49 0.00 0.00 -0.00 0.00 0.00 33.47 29.78 3hk9 s TRP 325 CO -0.04 -1.61 0.00 1.87 -0.00 0.00 0.00 176.95 177.17 3hk9 n TRP 326 N 4.82 0.00 0.43 5.86 -0.00 -1.26 -0.41 117.44 126.88 3hk9 n TRP 326 Ca 0.11 0.00 0.05 0.00 -0.00 0.00 0.00 57.50 57.66 3hk9 n TRP 326 Cb 0.45 0.00 0.25 0.00 -0.00 0.00 0.00 31.31 32.01 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 0.33 5.87 3.72 -1.26 -0.92 117.46 125.20 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 -0.41 0.02 0.00 -0.94 0.00 0.00 39.48 38.15 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 -1.41 0.45 -0.85 -1.08 2.81 0.45 -4.52 117.12 112.97 3hk9 n MET 328 Ca 0.04 0.04 -0.14 0.00 -1.81 0.00 0.00 57.70 55.83 3hk9 n MET 328 Cb 0.11 -1.69 -0.11 0.00 -0.71 0.00 0.00 33.22 30.82 3hk9 n MET 328 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 3hk9 n ASN 329 N -2.29 4.76 -4.03 7.83 5.15 -0.10 -3.66 115.26 122.92 3hk9 n ASN 329 Ca 0.01 -2.32 -0.23 0.00 -0.60 0.00 0.00 54.58 51.44 3hk9 n ASN 329 Cb 0.49 -1.17 -0.16 0.00 -0.53 0.00 0.00 39.78 38.41 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 2.32 1.63 0.15 1.20 0.01 -1.26 -4.98 114.94 114.00 3hk9 s ASN 330 Ca 0.54 -0.27 -0.13 0.00 -0.71 0.00 0.00 52.86 52.29 3hk9 s ASN 330 Cb 0.23 -0.61 0.13 0.00 0.41 0.00 0.00 41.25 41.41 3hk9 s ASN 330 CO -0.01 0.06 1.04 -2.65 -1.51 0.00 0.00 177.10 174.03 3hk9 n PRO 331 N 3.55 -0.18 -0.30 -0.60 -0.02 -1.26 0.07 135.00 136.27 3hk9 n PRO 331 Ca -0.21 1.03 0.06 0.00 -2.02 0.00 0.00 63.50 62.36 3hk9 n PRO 331 Cb 0.53 -1.52 0.21 0.00 -0.02 0.00 0.00 33.50 32.70 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 0.66 0.21 -0.52 4.57 -1.97 -1.05 114.58 116.48 3hk9 h GLU 332 Ca 0.21 -0.04 -0.31 0.00 -1.18 0.00 0.00 59.36 58.04 3hk9 h GLU 332 Cb 0.38 -0.15 0.03 0.00 -0.16 0.00 0.00 28.75 28.85 3hk9 h GLU 332 CO -0.66 0.43 -1.45 0.82 -1.18 0.00 0.00 179.01 176.98 3hk9 h ILE 333 N 0.68 1.20 -0.75 2.32 2.04 -0.61 -3.11 117.51 119.28 3hk9 h ILE 333 Ca 0.45 -2.60 0.09 0.00 1.00 0.00 0.00 64.86 63.80 3hk9 h ILE 333 Cb 0.59 2.97 -0.07 0.00 -0.74 0.00 0.00 36.82 39.57 3hk9 h ILE 333 CO -0.33 0.80 0.41 0.40 0.00 0.00 0.00 178.15 179.42 3hk9 h ILE 334 N 0.02 0.90 0.49 -0.67 2.04 -0.44 -0.59 117.51 119.26 3hk9 h ILE 334 Ca -0.27 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.33 3hk9 h ILE 334 Cb 2.04 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 38.26 3hk9 h ILE 334 CO 0.21 0.13 -0.25 -1.13 0.00 0.00 0.00 178.15 177.11 3hk9 h ASN 335 N 0.70 -0.61 -0.74 1.72 -1.24 -1.28 -0.82 115.58 113.31 3hk9 h ASN 335 Ca 0.36 0.03 -0.05 0.00 0.71 0.00 0.00 56.30 57.35 3hk9 h ASN 335 Cb 0.33 0.17 -0.03 0.00 0.73 0.00 0.00 38.32 39.51 3hk9 h ASN 335 CO -0.24 -0.42 0.28 1.05 -1.29 0.00 0.00 177.43 176.80 3hk9 h GLU 336 N -0.69 1.13 0.19 6.67 4.11 -1.40 -1.77 114.58 122.81 3hk9 h GLU 336 Ca -0.06 -0.21 -0.01 0.00 0.07 0.00 0.00 59.36 59.14 3hk9 h GLU 336 Cb 0.54 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.61 3hk9 h GLU 336 CO 0.10 0.93 -0.09 0.52 0.07 0.00 0.00 179.01 180.53 3hk9 h MET 337 N 1.10 -0.25 -0.77 1.06 2.86 -1.07 -0.79 114.93 117.07 3hk9 h MET 337 Ca 0.25 0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.93 3hk9 h MET 337 Cb 0.24 0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.91 3hk9 h MET 337 CO -0.02 -0.04 0.51 1.15 1.06 0.00 0.00 176.91 179.58 3hk9 h THR 338 N -0.42 1.16 -0.22 2.22 2.02 -1.02 0.94 112.91 117.58 3hk9 h THR 338 Ca -0.03 -0.34 -0.11 0.00 0.77 0.00 0.00 66.41 66.70 3hk9 h THR 338 Cb 0.32 0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 66.80 3hk9 h THR 338 CO 0.04 0.18 -0.27 0.03 0.37 0.00 0.00 175.52 175.88 3hk9 h ARG 339 N 1.00 0.58 -0.57 6.66 3.08 -1.23 -0.77 114.38 123.13 3hk9 h ARG 339 Ca 0.30 -0.32 -0.05 0.00 0.07 0.00 0.00 59.98 59.97 3hk9 h ARG 339 Cb -0.04 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 3hk9 h ARG 339 CO -0.08 0.92 0.15 0.52 -1.07 0.00 0.00 179.97 180.42 3hk9 h MET 340 N 0.27 0.90 -0.42 0.04 2.86 -0.73 -1.24 114.93 116.61 3hk9 h MET 340 Ca 0.03 -0.21 -0.02 0.00 -2.06 0.00 0.00 59.70 57.45 3hk9 h MET 340 Cb 0.84 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.36 3hk9 h MET 340 CO 0.06 0.83 0.20 0.00 1.06 0.00 0.00 176.91 179.06 3hk9 h ARG 341 N 0.81 0.60 -0.30 1.72 3.08 -0.78 -2.63 114.38 116.88 3hk9 h ARG 341 Ca 0.18 -0.09 -0.15 0.00 0.07 0.00 0.00 59.98 60.00 3hk9 h ARG 341 Cb 0.32 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 3hk9 h ARG 341 CO -0.00 0.52 -0.40 1.98 -1.07 0.00 0.00 179.97 181.00 3hk9 h MET 342 N 0.53 0.73 -0.21 0.04 4.05 -0.99 0.14 114.93 119.21 3hk9 h MET 342 Ca 0.14 -0.38 -0.03 0.00 -0.28 0.00 0.00 59.70 59.15 3hk9 h MET 342 Cb 0.12 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 30.92 3hk9 h MET 342 CO -0.02 1.00 0.00 0.93 0.23 0.00 0.00 176.91 179.05 3hk9 h GLU 343 N 0.60 0.31 0.00 0.39 5.08 -1.12 0.13 114.58 119.97 3hk9 h GLU 343 Ca 0.05 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3hk9 h GLU 343 Cb 0.94 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.14 3hk9 h GLU 343 CO 0.09 0.34 -1.67 -1.33 -1.00 0.00 0.00 179.01 175.44 3hk9 n MET 344 N -4.36 0.65 0.00 2.33 2.81 -1.00 -4.60 117.12 112.95 3hk9 n MET 344 Ca 0.00 -0.14 0.00 0.00 -1.81 0.00 0.00 57.70 55.75 3hk9 n MET 344 Cb 0.19 -1.42 0.00 0.00 -0.71 0.00 0.00 33.22 31.28 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 -2.01 0.93 0.00 4.03 4.77 0.46 -4.91 117.00 120.27 3hk9 n LEU 345 Ca -0.02 -0.93 0.00 0.00 -0.03 0.00 0.00 56.01 55.03 3hk9 n LEU 345 Cb 0.44 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 3hk9 n LEU 345 CO 0.38 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 3hk9 n GLY 346 N -0.02 3.57 0.70 -0.72 0.00 0.44 -1.42 105.19 107.73 3hk9 n GLY 346 Ca 0.00 0.13 0.06 0.00 0.00 0.00 0.00 46.02 46.22 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 1.30 -1.56 2.61 -2.24 -1.26 -4.34 114.28 108.79 3hk9 n THR 347 Ca 0.00 -1.20 -0.32 0.00 -2.27 0.00 0.00 64.05 60.26 3hk9 n THR 347 Cb 0.00 0.33 -0.05 0.00 -2.10 0.00 0.00 70.33 68.51 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 0.28 7.43 -3.70 3.42 3.41 -0.51 -4.71 113.62 119.24 3hk9 n SER 348 Ca 0.14 -2.92 -0.08 0.00 -0.26 0.00 0.00 58.87 55.75 3hk9 n SER 348 Cb 0.53 -1.39 -0.02 0.00 -0.26 0.00 0.00 64.21 63.08 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 -0.16 -0.28 -0.37 7.33 -0.12 -1.26 -4.78 117.98 118.34 3hk9 s PHE 349 Ca 0.61 -0.07 -0.07 0.00 -0.05 0.00 0.00 56.93 57.35 3hk9 s PHE 349 Cb 0.25 0.65 0.06 0.00 -0.63 0.00 0.00 43.02 43.34 3hk9 s PHE 349 CO -0.10 -1.01 0.17 0.42 -0.05 0.00 0.00 175.22 174.65 3hk9 s ILE 350 N -3.69 3.95 0.32 -4.49 1.01 -0.78 -4.68 121.20 112.85 3hk9 s ILE 350 Ca 0.08 -1.27 0.00 0.00 0.00 0.00 0.00 60.65 59.47 3hk9 s ILE 350 Cb -0.04 -3.33 0.26 0.00 0.01 0.00 0.00 42.46 39.37 3hk9 s ILE 350 CO -0.00 -0.33 1.99 1.55 0.00 0.00 0.00 174.94 178.15 3hk9 h PRO 351 N 8.28 0.96 -3.32 2.79 0.13 -1.86 -0.85 132.00 138.14 3hk9 h PRO 351 Ca -0.22 -0.06 -0.02 0.00 -0.87 0.00 0.00 66.00 64.82 3hk9 h PRO 351 Cb 1.08 -0.22 -0.10 0.00 0.13 0.00 0.00 31.00 31.89 3hk9 h PRO 351 CO 0.66 0.64 0.02 -1.14 -0.23 0.00 0.00 178.00 177.95 3hk9 s GLN 352 N -5.83 1.36 0.05 0.86 2.00 -1.26 -3.61 119.66 113.23 3hk9 s GLN 352 Ca -0.11 -0.86 -0.11 0.00 -2.00 0.00 0.00 55.36 52.29 3hk9 s GLN 352 Cb 0.18 0.52 0.01 0.00 0.80 0.00 0.00 33.01 34.51 3hk9 s GLN 352 CO 0.78 -0.57 0.23 -3.38 -0.50 0.00 0.00 175.29 171.85 3hk9 s HIS 353 N -3.87 0.02 -0.04 1.67 -3.43 -1.26 -4.58 115.29 103.80 3hk9 s HIS 353 Ca 0.09 -0.27 0.13 0.00 -0.80 0.00 0.00 55.06 54.21 3hk9 s HIS 353 Cb -0.01 0.01 -0.22 0.00 -1.43 0.00 0.00 32.58 30.93 3hk9 s HIS 353 CO -0.03 -0.49 0.71 0.66 -2.00 0.00 0.00 174.74 173.60 3hk9 h SER 354 N 3.20 0.00 -1.54 7.38 4.64 -1.93 -3.45 113.55 121.85 3hk9 h SER 354 Ca -0.32 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 60.60 3hk9 h SER 354 Cb 1.20 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.18 3hk9 h SER 354 CO 0.49 0.96 -0.40 -0.67 -0.87 0.00 0.00 176.83 176.34 3hk9 n ASP 355 N -3.05 -5.40 -4.68 4.97 -0.08 -0.29 -4.87 116.55 103.15 3hk9 n ASP 355 Ca -0.15 0.31 -0.45 0.00 -1.51 0.00 0.00 54.79 52.98 3hk9 n ASP 355 Cb 1.03 -4.55 -0.04 0.00 2.34 0.00 0.00 41.12 39.90 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 0.25 1.57 -0.02 -1.67 0.00 -1.26 -4.38 120.51 114.99 3hk9 n ALA 356 Ca -0.21 0.39 0.05 0.00 0.00 0.00 0.00 53.44 53.68 3hk9 n ALA 356 Cb 0.65 -2.44 -0.14 0.00 0.00 0.00 0.00 19.45 17.52 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 0.70 -4.84 0.00 1.74 -1.26 0.75 116.66 118.25 3hk9 n ARG 357 Ca 0.18 -0.13 -0.30 0.00 -0.77 0.00 0.00 57.85 56.83 3hk9 n ARG 357 Cb 0.31 -1.42 -0.17 0.00 -1.02 0.00 0.00 32.46 30.16 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 -3.06 1.73 0.17 1.55 1.01 -1.26 -4.37 120.40 116.16 3hk9 s VAL 358 Ca -0.07 -0.81 -0.23 0.00 0.00 0.00 0.00 61.98 60.87 3hk9 s VAL 358 Cb 0.10 -1.53 0.05 0.00 0.00 0.00 0.00 36.38 35.00 3hk9 s VAL 358 CO 0.72 0.49 1.41 -0.11 0.00 0.00 0.00 175.10 177.61 3hk9 n LEU 359 N 3.81 -0.82 0.15 3.92 7.94 0.02 -0.97 117.00 131.05 3hk9 n LEU 359 Ca -0.20 1.61 0.18 0.00 -1.11 0.00 0.00 56.01 56.49 3hk9 n LEU 359 Cb 0.52 -0.27 0.77 0.00 0.53 0.00 0.00 43.42 44.98 3hk9 n LEU 359 CO 0.26 -1.36 1.16 -0.33 -1.11 0.00 0.00 177.39 176.01 3hk9 h GLU 360 N 0.00 0.00 -0.19 1.96 3.07 -1.93 -2.62 114.58 114.87 3hk9 h GLU 360 Ca 0.21 0.00 0.05 0.00 -0.50 0.00 0.00 59.36 59.13 3hk9 h GLU 360 Cb 0.44 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.34 3hk9 h GLU 360 CO -0.87 0.00 0.32 1.96 -1.40 0.00 0.00 179.01 179.01 3hk9 h GLN 361 N 0.00 0.00 -0.41 2.33 4.20 -1.46 -0.30 115.11 119.47 3hk9 h GLN 361 Ca 0.14 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.92 3hk9 h GLN 361 Cb 0.68 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.44 3hk9 h GLN 361 CO -0.00 0.00 0.28 -0.07 -0.67 0.00 0.00 178.83 178.37 3hk9 h LEU 362 N 0.00 0.21 0.19 1.46 3.38 -1.64 -0.17 115.31 118.74 3hk9 h LEU 362 Ca 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3hk9 h LEU 362 Cb 0.72 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.43 3hk9 h LEU 362 CO -0.00 0.13 -0.09 0.40 0.09 0.00 0.00 178.44 178.97 3hk9 h ILE 363 N 0.24 0.88 0.13 1.22 2.04 -1.29 -2.86 117.51 117.87 3hk9 h ILE 363 Ca 0.19 -0.34 -0.28 0.00 1.00 0.00 0.00 64.86 65.42 3hk9 h ILE 363 Cb 0.43 1.09 0.01 0.00 -0.74 0.00 0.00 36.82 37.62 3hk9 h ILE 363 CO -0.03 0.08 -1.24 0.10 0.00 0.00 0.00 178.15 177.05 3hk9 h TYR 364 N -0.42 0.68 -0.25 1.37 -0.00 -1.60 -2.11 116.97 114.63 3hk9 h TYR 364 Ca -0.03 -0.46 0.03 0.00 0.00 0.00 0.00 58.73 58.27 3hk9 h TYR 364 Cb 0.32 -0.04 -0.03 0.00 0.00 0.00 0.00 36.73 36.99 3hk9 h TYR 364 CO -0.02 1.34 0.08 0.87 -0.00 0.00 0.00 178.16 180.44 3hk9 h LYS 365 N 0.14 0.19 -0.07 0.10 1.79 -1.13 0.85 116.57 118.43 3hk9 h LYS 365 Ca -0.16 -0.01 -0.22 0.00 -2.18 0.00 0.00 60.65 58.08 3hk9 h LYS 365 Cb 1.94 -0.04 0.01 0.00 -1.58 0.00 0.00 32.23 32.55 3hk9 h LYS 365 CO 0.22 0.12 -0.85 -1.49 -1.08 0.00 0.00 179.45 176.37 3hk9 h TRP 366 N 0.19 0.82 -0.31 -1.35 4.06 -1.60 -2.32 115.95 115.44 3hk9 h TRP 366 Ca 0.11 -0.40 -0.04 0.00 2.06 0.00 0.00 58.89 60.62 3hk9 h TRP 366 Cb 0.08 -0.11 -0.01 0.00 -1.00 0.00 0.00 29.16 28.11 3hk9 h TRP 366 CO -0.13 1.21 0.03 1.25 -3.56 0.00 0.00 178.44 177.24 3hk9 h HIS 367 N 0.37 0.57 -0.36 0.49 2.76 -1.21 0.14 115.15 117.91 3hk9 h HIS 367 Ca -0.07 -0.09 -0.09 0.00 -2.20 0.00 0.00 60.37 57.92 3hk9 h HIS 367 Cb 1.47 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 30.26 3hk9 h HIS 367 CO 0.07 0.63 -0.16 0.45 -1.30 0.00 0.00 177.93 177.63 3hk9 h HIS 368 N 0.35 0.73 0.20 5.26 3.86 -0.89 -2.83 115.15 121.82 3hk9 h HIS 368 Ca 0.09 -0.14 -0.31 0.00 -1.16 0.00 0.00 60.37 58.86 3hk9 h HIS 368 Cb 0.38 -0.18 0.03 0.00 1.06 0.00 0.00 27.41 28.70 3hk9 h HIS 368 CO 0.03 0.78 -1.33 0.77 0.86 0.00 0.00 177.93 179.04 3hk9 h SER 369 N 0.59 0.82 -0.47 2.45 0.02 -1.29 -3.26 113.55 112.42 3hk9 h SER 369 Ca 0.10 -0.89 -0.01 0.00 -0.84 0.00 0.00 61.79 60.14 3hk9 h SER 369 Cb 0.60 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 3hk9 h SER 369 CO 0.04 1.64 0.26 0.11 -1.14 0.00 0.00 176.83 177.75 3hk9 h LYS 370 N 0.12 0.67 -0.12 3.45 1.57 -0.74 0.34 116.57 121.86 3hk9 h LYS 370 Ca -0.22 -0.07 0.03 0.00 -1.87 0.00 0.00 60.65 58.52 3hk9 h LYS 370 Cb 2.03 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 34.17 3hk9 h LYS 370 CO 0.25 0.50 -0.06 0.77 -0.57 0.00 0.00 179.45 180.34 3hk9 h SER 371 N 0.68 -0.21 0.14 0.86 0.02 -1.57 0.37 113.55 113.84 3hk9 h SER 371 Ca 0.18 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.17 3hk9 h SER 371 Cb 0.03 0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.68 3hk9 h SER 371 CO -0.03 -0.09 -0.07 0.40 -1.14 0.00 0.00 176.83 175.91 3hk9 h ILE 372 N -0.05 1.00 -0.92 3.27 2.04 -1.44 -2.74 117.51 118.65 3hk9 h ILE 372 Ca 0.07 -0.61 0.05 0.00 1.00 0.00 0.00 64.86 65.37 3hk9 h ILE 372 Cb 0.16 1.37 -0.06 0.00 -0.74 0.00 0.00 36.82 37.56 3hk9 h ILE 372 CO -0.16 0.14 0.60 0.40 0.00 0.00 0.00 178.15 179.14 3hk9 h ILE 373 N -0.48 1.10 -0.38 -0.67 2.04 -0.84 -1.64 117.51 116.64 3hk9 h ILE 373 Ca -0.02 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.46 3hk9 h ILE 373 Cb 0.38 -0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.35 3hk9 h ILE 373 CO 0.03 0.20 0.20 0.00 0.00 0.00 0.00 178.15 178.59 3hk9 h ALA 374 N 1.49 0.49 -0.87 1.87 0.00 -0.90 -0.56 119.26 120.78 3hk9 h ALA 374 Ca 0.39 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 3hk9 h ALA 374 Cb 0.13 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 3hk9 h ALA 374 CO -0.14 0.02 0.48 1.49 0.00 0.00 0.00 179.25 181.10 3hk9 h GLU 375 N 0.49 1.21 -0.51 0.00 4.57 -1.09 0.11 114.58 119.35 3hk9 h GLU 375 Ca 0.13 -0.14 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 3hk9 h GLU 375 Cb 0.07 -0.24 -0.02 0.00 -0.16 0.00 0.00 28.75 28.40 3hk9 h GLU 375 CO -0.02 0.88 0.18 0.28 -1.18 0.00 0.00 179.01 179.15 3hk9 h VAL 376 N 1.21 1.23 -0.64 0.32 2.07 -0.88 -1.91 116.25 117.65 3hk9 h VAL 376 Ca 0.31 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 3hk9 h VAL 376 Cb 0.02 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 3hk9 h VAL 376 CO -0.05 0.28 0.34 -0.07 0.02 0.00 0.00 177.57 178.09 3hk9 h LEU 377 N 0.70 0.81 -0.44 2.57 3.38 -0.39 -1.46 115.31 120.47 3hk9 h LEU 377 Ca 0.17 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.07 3hk9 h LEU 377 Cb 0.25 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3hk9 h LEU 377 CO -0.01 0.68 0.24 0.40 0.09 0.00 0.00 178.44 179.84 3hk9 h ILE 378 N 0.88 1.00 -0.38 1.22 2.04 -0.49 0.21 117.51 122.00 3hk9 h ILE 378 Ca 0.22 -0.17 -0.00 0.00 1.00 0.00 0.00 64.86 65.92 3hk9 h ILE 378 Cb 0.06 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 3hk9 h ILE 378 CO -0.03 0.09 0.23 0.44 0.00 0.00 0.00 178.15 178.87 3hk9 h ASP 379 N 0.48 0.45 0.12 1.72 3.32 -1.00 0.14 116.42 121.65 3hk9 h ASP 379 Ca 0.18 -0.05 -0.14 0.00 0.02 0.00 0.00 57.03 57.04 3hk9 h ASP 379 Cb 0.06 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 3hk9 h ASP 379 CO -0.11 0.37 -0.50 0.11 -1.72 0.00 0.00 179.24 177.39 3hk9 h LYS 380 N 0.49 0.44 -0.20 3.56 6.56 -0.92 -2.03 116.57 124.47 3hk9 h LYS 380 Ca 0.14 -0.26 -0.19 0.00 -1.06 0.00 0.00 60.65 59.28 3hk9 h LYS 380 Cb 0.00 0.02 -0.00 0.00 -0.57 0.00 0.00 32.23 31.68 3hk9 h LYS 380 CO -0.03 0.84 -0.62 1.88 -2.06 0.00 0.00 179.45 179.46 3hk9 h TYR 381 N 0.35 0.88 -0.46 -1.35 0.05 -0.47 -3.15 116.97 112.82 3hk9 h TYR 381 Ca 0.01 -0.34 -0.08 0.00 0.05 0.00 0.00 58.73 58.38 3hk9 h TYR 381 Cb 1.01 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 38.57 3hk9 h TYR 381 CO 0.03 1.13 -0.04 0.22 -1.05 0.00 0.00 178.16 178.45 3hk9 h ASP 382 N 0.50 0.76 -0.94 3.88 3.58 -0.85 -0.41 116.42 122.95 3hk9 h ASP 382 Ca -0.01 -0.20 0.00 0.00 0.42 0.00 0.00 57.03 57.25 3hk9 h ASP 382 Cb 1.21 -0.20 -0.05 0.00 1.72 0.00 0.00 39.33 42.01 3hk9 h ASP 382 CO 0.12 0.85 0.60 0.44 -2.88 0.00 0.00 179.24 178.37 3hk9 h ASP 383 N 0.72 1.10 1.24 2.28 3.32 -1.34 0.96 116.42 124.72 3hk9 h ASP 383 Ca 0.14 -0.05 -0.15 0.00 0.02 0.00 0.00 57.03 56.99 3hk9 h ASP 383 Cb 0.50 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 3hk9 h ASP 383 CO 0.03 0.82 -0.77 0.16 -1.72 0.00 0.00 179.24 177.76 3hk9 h ILE 384 N 1.28 1.13 -0.05 0.35 3.07 -1.47 -2.77 117.51 119.06 3hk9 h ILE 384 Ca 0.34 -2.63 -0.00 0.00 1.55 0.00 0.00 64.86 64.12 3hk9 h ILE 384 Cb -0.11 2.54 -0.00 0.00 -0.27 0.00 0.00 36.82 38.98 3hk9 h ILE 384 CO -0.07 0.64 0.01 0.25 -1.05 0.00 0.00 178.15 177.94 3hk9 h LEU 385 N 0.00 0.08 -2.06 0.16 5.85 -0.50 -0.32 115.31 118.51 3hk9 h LEU 385 Ca -0.03 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.44 3hk9 h LEU 385 Cb 1.55 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.56 3hk9 h LEU 385 CO 0.09 0.29 -0.09 1.56 -0.34 0.00 0.00 178.44 179.95 3hk9 h GLN 386 N -0.14 0.00 -0.00 1.25 1.08 -0.88 -0.12 115.11 116.29 3hk9 h GLN 386 Ca 0.02 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 3hk9 h GLN 386 Cb 0.24 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.67 3hk9 h GLN 386 CO 0.00 0.09 0.00 0.00 -0.95 0.00 0.00 178.83 177.97 3hk9 n ALA 387 N -2.29 2.65 0.00 3.87 0.00 -0.90 -4.87 120.51 118.98 3hk9 n ALA 387 Ca -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.24 3hk9 n ALA 387 Cb 0.20 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.22 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 0.92 0.41 3.76 0.00 0.00 -0.06 -5.05 105.19 105.18 3hk9 n GLY 388 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.31 1.61 -0.11 -0.18 -5.00 118.94 116.57 3hk9 s TRP 389 Ca 0.00 1.75 -0.22 0.00 1.22 0.00 0.00 56.10 58.85 3hk9 s TRP 389 Cb 0.00 -3.13 -0.00 0.00 -1.50 0.00 0.00 33.47 28.83 3hk9 s TRP 389 CO 0.00 -0.24 0.70 -2.00 -4.62 0.00 0.00 176.95 170.80 3hk9 s GLU 390 N -1.70 3.92 -0.25 5.86 2.12 -1.26 -4.34 118.70 123.04 3hk9 s GLU 390 Ca 0.47 0.42 -0.07 0.00 0.36 0.00 0.00 54.97 56.15 3hk9 s GLU 390 Cb -0.27 -3.73 -0.02 0.00 0.26 0.00 0.00 34.13 30.37 3hk9 s GLU 390 CO 0.34 -0.63 0.05 0.14 -0.54 0.00 0.00 175.26 174.62 3hk9 s VAL 391 N 2.78 4.12 0.10 3.70 -7.23 -1.26 -5.09 120.40 117.51 3hk9 s VAL 391 Ca 0.28 -0.26 0.01 0.00 -1.81 0.00 0.00 61.98 60.21 3hk9 s VAL 391 Cb -0.14 -2.93 -0.04 0.00 0.56 0.00 0.00 36.38 33.83 3hk9 s VAL 391 CO 0.12 0.34 0.24 0.42 -0.31 0.00 0.00 175.10 175.92 3hk9 s THR 392 N 1.58 5.34 0.49 5.32 -4.23 -1.26 -4.47 115.64 118.41 3hk9 s THR 392 Ca 0.06 -0.55 0.13 0.00 -1.18 0.00 0.00 61.69 60.16 3hk9 s THR 392 Cb -0.15 -3.68 0.27 0.00 1.34 0.00 0.00 72.50 70.28 3hk9 s THR 392 CO 0.02 0.02 2.12 -0.08 -0.54 0.00 0.00 174.62 176.17 3hk9 h GLU 393 N 2.61 0.15 -0.48 3.99 4.81 -1.99 -1.39 114.58 122.29 3hk9 h GLU 393 Ca -0.47 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 58.63 3hk9 h GLU 393 Cb 1.18 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.51 3hk9 h GLU 393 CO 0.72 0.10 -0.17 1.49 -0.73 0.00 0.00 179.01 180.42 3hk9 h GLU 394 N 0.16 0.96 -0.23 1.92 4.57 -1.99 -1.09 114.58 118.88 3hk9 h GLU 394 Ca 0.04 -0.39 -0.12 0.00 -1.18 0.00 0.00 59.36 57.71 3hk9 h GLU 394 Cb -0.02 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.52 3hk9 h GLU 394 CO -0.01 1.06 -0.37 0.93 -1.18 0.00 0.00 179.01 179.44 3hk9 h GLU 395 N 0.81 0.51 -0.41 1.92 5.08 -1.71 -1.84 114.58 118.94 3hk9 h GLU 395 Ca 0.11 -0.24 -0.07 0.00 -1.00 0.00 0.00 59.36 58.16 3hk9 h GLU 395 Cb 0.74 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 3hk9 h GLU 395 CO 0.06 0.81 -0.02 0.82 -1.00 0.00 0.00 179.01 179.68 3hk9 h ILE 396 N 0.43 1.26 -0.61 3.13 2.04 -1.11 -0.49 117.51 122.16 3hk9 h ILE 396 Ca 0.04 -1.05 -0.03 0.00 1.00 0.00 0.00 64.86 64.83 3hk9 h ILE 396 Cb 0.85 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 38.03 3hk9 h ILE 396 CO 0.07 0.35 0.25 0.11 0.00 0.00 0.00 178.15 178.94 3hk9 h LYS 397 N 0.55 0.88 -0.25 2.37 1.57 -1.04 -0.69 116.57 119.97 3hk9 h LYS 397 Ca 0.11 -0.13 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 3hk9 h LYS 397 Cb 0.50 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 3hk9 h LYS 397 CO 0.02 0.71 0.00 -0.09 -0.57 0.00 0.00 179.45 179.52 3hk9 h ARG 398 N 0.87 0.44 -0.51 3.15 2.43 -1.02 -1.07 114.38 118.66 3hk9 h ARG 398 Ca 0.21 -0.14 -0.06 0.00 -0.81 0.00 0.00 59.98 59.18 3hk9 h ARG 398 Cb 0.15 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 3hk9 h ARG 398 CO -0.02 0.61 0.10 -0.44 -1.51 0.00 0.00 179.97 178.71 3hk9 h ASP 399 N 0.21 0.80 -0.34 -3.80 3.32 -0.80 -1.73 116.42 114.09 3hk9 h ASP 399 Ca 0.07 -0.25 -0.06 0.00 0.02 0.00 0.00 57.03 56.81 3hk9 h ASP 399 Cb 0.41 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 3hk9 h ASP 399 CO 0.01 0.84 0.03 0.58 -1.72 0.00 0.00 179.24 178.98 3hk9 h VAL 400 N 0.73 1.22 -0.63 -1.35 2.07 -1.09 -1.57 116.25 115.62 3hk9 h VAL 400 Ca 0.16 -0.87 -0.08 0.00 0.82 0.00 0.00 66.70 66.72 3hk9 h VAL 400 Cb 0.37 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 3hk9 h VAL 400 CO 0.01 0.31 0.07 0.00 0.02 0.00 0.00 177.57 177.97 3hk9 h ALA 401 N 1.38 0.84 0.53 1.67 0.00 -0.95 -2.03 119.26 120.70 3hk9 h ALA 401 Ca 0.14 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 3hk9 h ALA 401 Cb 0.36 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.92 3hk9 h ALA 401 CO 0.01 0.63 -0.25 -0.44 0.00 0.00 0.00 179.25 179.20 3hk9 h ASP 402 N 0.98 -0.60 -0.37 0.00 3.32 -0.65 0.38 116.42 119.48 3hk9 h ASP 402 Ca 0.19 0.02 0.06 0.00 0.02 0.00 0.00 57.03 57.31 3hk9 h ASP 402 Cb 0.48 0.15 -0.05 0.00 0.22 0.00 0.00 39.33 40.14 3hk9 h ASP 402 CO 0.02 -0.42 0.08 -0.07 -1.72 0.00 0.00 179.24 177.12 3hk9 h LEU 403 N -0.71 0.02 -0.60 1.55 3.38 -1.21 -0.05 115.31 117.69 3hk9 h LEU 403 Ca -0.07 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3hk9 h LEU 403 Cb 0.54 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.37 3hk9 h LEU 403 CO 0.12 0.05 -0.26 0.49 0.09 0.00 0.00 178.44 178.92 3hk9 n PHE 404 N -5.09 0.00 0.13 1.13 3.72 -0.77 -4.22 117.46 112.35 3hk9 n PHE 404 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 3hk9 n PHE 404 Cb 0.17 -0.10 0.00 0.00 -0.94 0.00 0.00 39.48 38.61 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 -0.50 -2.13 0.02 4.37 2.88 -0.62 -1.51 113.62 116.13 3hk9 n SER 405 Ca 0.12 0.48 0.01 0.00 -1.33 0.00 0.00 58.87 58.16 3hk9 n SER 405 Cb 0.36 2.19 0.34 0.00 -0.75 0.00 0.00 64.21 66.35 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 0.47 -0.44 -1.46 3.08 -0.90 -2.85 114.38 112.28 3hk9 h ARG 406 Ca 0.00 -0.09 -0.05 0.00 0.07 0.00 0.00 59.98 59.91 3hk9 h ARG 406 Cb 0.00 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 3hk9 h ARG 406 CO 0.00 0.48 0.05 -0.91 -1.07 0.00 0.00 179.97 178.52 3hk9 h ASN 407 N 0.46 0.64 0.50 7.04 2.35 -1.22 -0.27 115.58 125.07 3hk9 h ASN 407 Ca 0.10 -0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 55.70 3hk9 h ASN 407 Cb 0.26 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.47 3hk9 h ASN 407 CO 0.00 0.68 -0.24 0.15 -1.65 0.00 0.00 177.43 176.38 3hk9 h PHE 408 N 0.65 -0.62 -0.81 1.19 3.57 -1.74 -1.75 116.94 117.44 3hk9 h PHE 408 Ca 0.14 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.69 3hk9 h PHE 408 Cb 0.34 0.20 -0.05 0.00 2.79 0.00 0.00 35.95 39.23 3hk9 h PHE 408 CO 0.02 -0.32 0.53 -1.49 -2.23 0.00 0.00 178.31 174.81 3hk9 h TRP 409 N -1.09 0.88 -0.40 0.41 4.06 -1.50 -0.53 115.95 117.77 3hk9 h TRP 409 Ca -0.07 0.02 -0.11 0.00 2.06 0.00 0.00 58.89 60.80 3hk9 h TRP 409 Cb 0.58 -0.29 -0.02 0.00 -1.00 0.00 0.00 29.16 28.43 3hk9 h TRP 409 CO 0.01 0.45 -0.19 -0.09 -3.56 0.00 0.00 178.44 175.06 3hk9 h ARG 410 N 0.86 0.78 -0.15 0.49 2.43 -1.09 0.11 114.38 117.81 3hk9 h ARG 410 Ca 0.35 -0.30 -0.07 0.00 -0.81 0.00 0.00 59.98 59.16 3hk9 h ARG 410 Cb 0.27 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.77 3hk9 h ARG 410 CO -0.13 0.91 -0.18 0.35 -1.51 0.00 0.00 179.97 179.41 3hk9 h PHE 411 N 0.68 0.46 0.00 2.20 3.57 -0.21 -3.10 116.94 120.54 3hk9 h PHE 411 Ca 0.10 -0.15 0.00 0.00 3.53 0.00 0.00 57.97 61.45 3hk9 h PHE 411 Cb 0.69 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.34 3hk9 h PHE 411 CO 0.04 0.79 0.00 1.33 -2.23 0.00 0.00 178.31 178.24 3hk9 n VAL 412 N -4.52 0.62 -0.88 1.41 0.24 -0.38 -4.86 118.33 109.96 3hk9 n VAL 412 Ca -0.06 0.15 0.00 0.00 -2.04 0.00 0.00 64.34 62.39 3hk9 n VAL 412 Cb 0.39 -0.88 0.00 0.00 -1.47 0.00 0.00 33.84 31.88 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 0.14 1.13 0.00 7.63 0.00 -1.08 -4.76 105.19 108.25 3hk9 n GLY 413 Ca 0.07 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.80 3hk9 n GLY 413 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86