#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hk8 h ARG 6 N 0.00 0.28 0.00 -1.46 2.43 -2.01 -2.48 114.38 111.14 3hk8 h ARG 6 Ca 0.00 -0.32 -0.12 0.00 -0.81 0.00 0.00 59.98 58.72 3hk8 h ARG 6 Cb 0.00 0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 3hk8 h ARG 6 CO 0.00 1.04 -0.59 0.93 -1.51 0.00 0.00 179.97 179.84 3hk8 h GLU 7 N 0.15 0.00 -0.39 0.20 4.39 -2.02 0.32 114.58 117.23 3hk8 h GLU 7 Ca -0.07 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.56 3hk8 h GLU 7 Cb 1.59 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.22 3hk8 h GLU 7 CO 0.15 0.59 -0.06 0.28 -1.16 0.00 0.00 179.01 178.81 3hk8 h VAL 8 N 0.00 1.27 -0.46 3.13 2.07 -1.99 -1.61 116.25 118.65 3hk8 h VAL 8 Ca -0.01 -1.12 -0.06 0.00 0.82 0.00 0.00 66.70 66.34 3hk8 h VAL 8 Cb 1.05 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 32.01 3hk8 h VAL 8 CO 0.08 0.37 0.07 0.25 0.02 0.00 0.00 177.57 178.36 3hk8 h LEU 9 N 0.54 0.74 -0.69 2.57 5.85 -1.12 -2.83 115.31 120.36 3hk8 h LEU 9 Ca 0.10 -0.26 0.04 0.00 0.84 0.00 0.00 57.88 58.60 3hk8 h LEU 9 Cb 0.56 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.35 3hk8 h LEU 9 CO 0.03 0.82 0.41 0.00 -0.34 0.00 0.00 178.44 179.36 3hk8 h ALA 10 N 0.95 0.92 -0.46 1.25 0.00 -0.17 -0.14 119.26 121.61 3hk8 h ALA 10 Ca 0.14 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 3hk8 h ALA 10 Cb 0.39 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3hk8 h ALA 10 CO 0.01 0.14 -0.07 0.93 0.00 0.00 0.00 179.25 180.26 3hk8 h GLU 11 N 0.78 0.80 -0.22 0.00 4.39 -1.20 -0.84 114.58 118.30 3hk8 h GLU 11 Ca 0.29 -0.25 -0.20 0.00 0.34 0.00 0.00 59.36 59.54 3hk8 h GLU 11 Cb 0.10 -0.08 0.01 0.00 -0.10 0.00 0.00 28.75 28.68 3hk8 h GLU 11 CO -0.14 0.85 -0.66 0.87 -1.16 0.00 0.00 179.01 178.77 3hk8 h LYS 12 N 0.73 0.83 -0.14 2.33 1.57 -1.19 -1.32 116.57 119.39 3hk8 h LYS 12 Ca 0.13 -0.60 -0.01 0.00 -1.87 0.00 0.00 60.65 58.29 3hk8 h LYS 12 Cb 0.54 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 3hk8 h LYS 12 CO 0.03 1.22 0.03 0.28 -0.57 0.00 0.00 179.45 180.44 3hk8 h VAL 13 N 0.59 1.21 -0.54 0.50 2.07 -0.92 -0.47 116.25 118.68 3hk8 h VAL 13 Ca -0.02 -0.66 0.01 0.00 0.82 0.00 0.00 66.70 66.85 3hk8 h VAL 13 Cb 1.28 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 32.41 3hk8 h VAL 13 CO 0.14 0.19 0.36 0.11 0.02 0.00 0.00 177.57 178.40 3hk8 h LYS 14 N 0.02 0.71 -0.14 1.57 1.57 -1.18 0.57 116.57 119.69 3hk8 h LYS 14 Ca 0.04 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3hk8 h LYS 14 Cb 0.27 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 3hk8 h LYS 14 CO 0.00 0.47 0.08 -0.91 -0.57 0.00 0.00 179.45 178.53 3hk8 h ASN 15 N 0.73 0.17 -0.45 0.86 -0.26 -1.13 0.22 115.58 115.73 3hk8 h ASN 15 Ca 0.20 -0.05 0.02 0.00 -0.56 0.00 0.00 56.30 55.91 3hk8 h ASN 15 Cb -0.08 -0.04 -0.03 0.00 -1.06 0.00 0.00 38.32 37.11 3hk8 h ASN 15 CO -0.05 0.17 0.26 0.00 -1.06 0.00 0.00 177.43 176.76 3hk8 h ALA 16 N 1.01 0.57 -0.26 -0.83 0.00 -0.74 -0.75 119.26 118.25 3hk8 h ALA 16 Ca 0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3hk8 h ALA 16 Cb 0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3hk8 h ALA 16 CO -0.01 -0.05 0.11 0.28 0.00 0.00 0.00 179.25 179.58 3hk8 h VAL 17 N 0.53 1.16 -0.24 0.00 2.07 -0.67 -1.72 116.25 117.38 3hk8 h VAL 17 Ca 0.18 -0.48 -0.09 0.00 0.82 0.00 0.00 66.70 67.12 3hk8 h VAL 17 Cb 0.01 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 3hk8 h VAL 17 CO -0.08 0.17 -0.26 0.78 0.02 0.00 0.00 177.57 178.20 3hk8 h ASN 18 N 0.28 0.46 1.05 0.57 2.35 -0.76 -3.11 115.58 116.42 3hk8 h ASN 18 Ca 0.09 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 3hk8 h ASN 18 Cb 0.15 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.40 3hk8 h ASN 18 CO -0.01 0.71 -0.37 0.59 -1.65 0.00 0.00 177.43 176.70 3hk8 n ASN 19 N -4.12 0.68 -4.66 5.81 3.02 -0.30 -4.86 115.26 110.82 3hk8 n ASN 19 Ca -0.00 0.27 -0.43 0.00 -0.03 0.00 0.00 54.58 54.39 3hk8 n ASN 19 Cb 0.40 -0.19 -0.02 0.00 -0.61 0.00 0.00 39.78 39.36 3hk8 n ASN 19 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 3hk8 s GLN 20 N -3.12 4.21 0.22 3.52 2.00 -0.65 -4.97 119.66 120.87 3hk8 s GLN 20 Ca 0.09 1.94 -0.31 0.00 -2.00 0.00 0.00 55.36 55.08 3hk8 s GLN 20 Cb 0.14 -3.87 -0.10 0.00 0.80 0.00 0.00 33.01 29.98 3hk8 s GLN 20 CO 0.67 -0.77 1.49 -2.14 -0.50 0.00 0.00 175.29 174.04 3hk8 s PRO 21 N 3.71 4.24 -0.10 1.67 0.02 -1.26 -4.94 135.00 138.35 3hk8 s PRO 21 Ca 0.64 2.34 -0.10 0.00 0.02 0.00 0.00 61.00 63.90 3hk8 s PRO 21 Cb -0.28 -3.12 -0.05 0.00 0.02 0.00 0.00 34.50 31.08 3hk8 s PRO 21 CO 0.23 -0.50 0.23 0.08 -0.33 0.00 0.00 177.00 176.71 3hk8 s VAL 22 N 0.37 5.34 -0.36 3.83 1.01 0.17 -4.69 120.40 126.07 3hk8 s VAL 22 Ca 0.63 0.43 -0.10 0.00 0.00 0.00 0.00 61.98 62.95 3hk8 s VAL 22 Cb -0.43 -3.52 0.03 0.00 0.00 0.00 0.00 36.38 32.46 3hk8 s VAL 22 CO 0.40 0.57 0.17 -0.89 0.00 0.00 0.00 175.10 175.35 3hk8 s THR 23 N -0.77 4.36 -0.65 3.92 2.01 -0.70 -0.79 115.64 123.02 3hk8 s THR 23 Ca 0.17 -0.91 -0.23 0.00 0.31 0.00 0.00 61.69 61.04 3hk8 s THR 23 Cb -0.13 -3.43 0.07 0.00 0.01 0.00 0.00 72.50 69.01 3hk8 s THR 23 CO 0.06 -0.20 0.98 -0.62 -0.69 0.00 0.00 174.62 174.15 3hk8 s ASP 24 N 1.52 6.19 0.00 3.53 -1.08 0.43 -4.75 116.67 122.51 3hk8 s ASP 24 Ca 0.01 -0.90 0.13 0.00 -0.52 0.00 0.00 52.55 51.27 3hk8 s ASP 24 Cb -0.19 -2.43 0.79 0.00 -1.46 0.00 0.00 42.92 39.63 3hk8 s ASP 24 CO 0.06 -1.45 1.45 1.15 0.52 0.00 0.00 175.17 176.90 3hk8 n MET 25 N 7.79 0.93 -3.20 4.34 0.00 -1.26 -0.93 117.12 124.79 3hk8 n MET 25 Ca -0.03 0.00 0.04 0.00 0.00 0.00 0.00 57.70 57.71 3hk8 n MET 25 Cb 0.46 -1.22 -0.01 0.00 0.00 0.00 0.00 33.22 32.44 3hk8 n MET 25 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 175.97 174.39 3hk8 s HIS 26 N -2.00 -1.45 0.31 3.17 5.65 -1.26 -4.75 115.29 114.96 3hk8 s HIS 26 Ca 0.20 1.64 0.01 0.00 0.25 0.00 0.00 55.06 57.16 3hk8 s HIS 26 Cb 0.09 0.55 -0.02 0.00 -1.18 0.00 0.00 32.58 32.02 3hk8 s HIS 26 CO 0.15 -0.79 0.36 0.95 -0.65 0.00 0.00 174.74 174.76 3hk8 s THR 27 N 2.87 0.00 -0.26 0.89 -4.23 -0.65 -0.86 115.64 113.40 3hk8 s THR 27 Ca 0.16 -1.78 0.11 0.00 -1.18 0.00 0.00 61.69 58.99 3hk8 s THR 27 Cb -0.14 -2.54 0.46 0.00 1.34 0.00 0.00 72.50 71.61 3hk8 s THR 27 CO -0.20 0.00 1.18 1.41 -0.54 0.00 0.00 174.62 176.48 3hk8 n HIS 28 N -0.53 1.83 -3.52 3.99 8.25 0.15 -2.95 115.22 122.44 3hk8 n HIS 28 Ca 0.03 -1.97 -0.19 0.00 -0.26 0.00 0.00 57.72 55.33 3hk8 n HIS 28 Cb 0.62 -0.30 -0.01 0.00 1.12 0.00 0.00 29.99 31.43 3hk8 n HIS 28 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3hk8 s LEU 29 N -3.38 3.94 0.04 2.41 1.43 -1.19 -4.58 118.68 117.34 3hk8 s LEU 29 Ca 0.44 -0.22 0.01 0.00 -1.03 0.00 0.00 54.13 53.34 3hk8 s LEU 29 Cb 0.39 -2.69 -0.02 0.00 0.03 0.00 0.00 46.19 43.89 3hk8 s LEU 29 CO -0.00 -0.41 -0.06 -0.36 0.23 0.00 0.00 176.35 175.74 3hk8 s PHE 30 N -2.18 0.56 0.23 0.29 0.08 -1.26 -4.42 117.98 111.27 3hk8 s PHE 30 Ca 0.44 -0.56 -0.31 0.00 0.12 0.00 0.00 56.93 56.62 3hk8 s PHE 30 Cb -0.09 -0.35 -0.14 0.00 -0.57 0.00 0.00 43.02 41.88 3hk8 s PHE 30 CO 0.30 -0.13 1.40 0.45 -0.10 0.00 0.00 175.22 177.14 3hk8 n SER 31 N 1.34 2.68 -0.27 1.36 2.88 -1.26 -4.78 113.62 115.57 3hk8 n SER 31 Ca -0.22 1.14 0.26 0.00 -1.33 0.00 0.00 58.87 58.72 3hk8 n SER 31 Cb 0.55 -1.41 0.61 0.00 -0.75 0.00 0.00 64.21 63.21 3hk8 n SER 31 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3hk8 h PRO 32 N 4.23 0.21 0.00 -1.46 0.13 -1.94 0.13 132.00 133.30 3hk8 h PRO 32 Ca -0.45 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3hk8 h PRO 32 Cb 1.28 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3hk8 h PRO 32 CO 0.76 0.14 0.00 0.27 -0.23 0.00 0.00 178.00 178.94 3hk8 n ASN 33 N -4.42 0.00 0.02 1.44 6.94 -1.26 -2.57 115.26 115.41 3hk8 n ASN 33 Ca 0.23 0.28 0.12 0.00 -0.02 0.00 0.00 54.58 55.18 3hk8 n ASN 33 Cb 0.95 -0.40 0.50 0.00 -2.36 0.00 0.00 39.78 38.46 3hk8 n ASN 33 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 3hk8 n PHE 34 N -1.40 0.16 0.00 -2.53 3.01 0.46 -5.01 117.46 112.14 3hk8 n PHE 34 Ca 0.07 0.05 0.00 0.00 1.01 0.00 0.00 57.45 58.58 3hk8 n PHE 34 Cb 0.19 -0.58 0.00 0.00 -0.01 0.00 0.00 39.48 39.07 3hk8 n PHE 34 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3hk8 n GLY 35 N 0.94 -0.16 0.15 1.37 0.00 -1.06 -4.58 105.19 101.85 3hk8 n GLY 35 Ca 0.05 -1.95 0.12 0.00 0.00 0.00 0.00 46.02 44.25 3hk8 n GLY 35 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hk8 h GLU 36 N 0.00 0.00 -0.01 1.61 4.39 -1.95 -2.90 114.58 115.72 3hk8 h GLU 36 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3hk8 h GLU 36 Cb 0.00 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3hk8 h GLU 36 CO 0.00 0.00 0.01 -0.84 -1.16 0.00 0.00 179.01 177.02 3hk8 h ILE 37 N 0.00 0.39 -3.12 3.13 3.07 -1.97 -3.37 117.51 115.65 3hk8 h ILE 37 Ca 0.00 0.00 -0.55 0.00 1.55 0.00 0.00 64.86 65.86 3hk8 h ILE 37 Cb 0.29 0.99 -0.06 0.00 -0.27 0.00 0.00 36.82 37.77 3hk8 h ILE 37 CO 0.00 0.00 1.04 -0.22 -1.05 0.00 0.00 178.15 177.92 3hk8 s LEU 38 N -7.30 3.48 0.07 0.16 2.96 -1.10 -4.80 118.68 112.15 3hk8 s LEU 38 Ca -0.05 0.37 -0.21 0.00 -0.22 0.00 0.00 54.13 54.02 3hk8 s LEU 38 Cb 0.15 -3.24 -0.06 0.00 0.50 0.00 0.00 46.19 43.53 3hk8 s LEU 38 CO 0.51 -1.54 0.63 -0.76 -1.32 0.00 0.00 176.35 173.87 3hk8 s LEU 39 N 5.46 4.51 0.14 -0.68 1.43 -1.26 -5.00 118.68 123.27 3hk8 s LEU 39 Ca 0.51 1.32 -0.24 0.00 -1.03 0.00 0.00 54.13 54.69 3hk8 s LEU 39 Cb -0.10 -3.00 0.07 0.00 0.03 0.00 0.00 46.19 43.19 3hk8 s LEU 39 CO 0.28 0.20 0.74 -1.66 0.23 0.00 0.00 176.35 176.13 3hk8 s TRP 40 N -0.80 -0.38 0.00 0.29 1.48 -1.26 -0.70 118.94 117.57 3hk8 s TRP 40 Ca 0.31 0.13 0.00 0.00 -1.06 0.00 0.00 56.10 55.49 3hk8 s TRP 40 Cb -0.20 0.59 0.00 0.00 -1.16 0.00 0.00 33.47 32.70 3hk8 s TRP 40 CO 0.20 -0.84 0.00 -0.40 -4.06 0.00 0.00 176.95 171.85 3hk8 n ASP 41 N -0.37 0.00 -0.06 -2.66 5.75 -1.26 -4.54 116.55 113.41 3hk8 n ASP 41 Ca -0.11 0.00 0.17 0.00 -0.01 0.00 0.00 54.79 54.83 3hk8 n ASP 41 Cb 0.63 0.00 0.59 0.00 -1.03 0.00 0.00 41.12 41.31 3hk8 n ASP 41 CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 3hk8 h ILE 42 N 0.00 0.79 -0.29 2.12 6.09 -1.95 -1.89 117.51 122.39 3hk8 h ILE 42 Ca 0.00 -0.08 -0.14 0.00 -1.37 0.00 0.00 64.86 63.28 3hk8 h ILE 42 Cb 0.00 0.56 -0.01 0.00 0.47 0.00 0.00 36.82 37.84 3hk8 h ILE 42 CO 0.00 0.04 -0.38 0.44 -3.07 0.00 0.00 178.15 175.18 3hk8 h ASP 43 N 0.22 0.70 -0.26 2.19 3.32 -1.94 -2.19 116.42 118.45 3hk8 h ASP 43 Ca 0.29 -0.30 -0.10 0.00 0.02 0.00 0.00 57.03 56.93 3hk8 h ASP 43 Cb 0.84 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 40.19 3hk8 h ASP 43 CO -0.06 1.00 -0.24 -0.33 -1.72 0.00 0.00 179.24 177.90 3hk8 h GLU 44 N 0.55 0.62 -0.54 3.56 4.39 -1.60 -2.24 114.58 119.32 3hk8 h GLU 44 Ca 0.05 -0.32 0.06 0.00 0.34 0.00 0.00 59.36 59.49 3hk8 h GLU 44 Cb 0.90 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.50 3hk8 h GLU 44 CO 0.08 0.92 0.25 -0.07 -1.16 0.00 0.00 179.01 179.02 3hk8 h LEU 45 N 0.34 0.32 -1.11 1.33 3.38 -1.34 -2.02 115.31 116.21 3hk8 h LEU 45 Ca 0.04 0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 3hk8 h LEU 45 Cb 0.79 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 3hk8 h LEU 45 CO 0.06 0.21 -0.32 -0.07 0.09 0.00 0.00 178.44 178.41 3hk8 h LEU 46 N 0.47 0.00 -2.61 1.67 3.38 -1.36 -2.98 115.31 113.88 3hk8 h LEU 46 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3hk8 h LEU 46 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3hk8 h LEU 46 CO -0.21 0.32 0.00 0.35 0.09 0.00 0.00 178.44 178.99 3hk8 n THR 47 N -3.58 1.34 -1.67 0.22 -2.24 -0.82 -4.72 114.28 102.81 3hk8 n THR 47 Ca -0.01 -0.96 -0.44 0.00 -2.27 0.00 0.00 64.05 60.38 3hk8 n THR 47 Cb 0.45 0.19 -0.01 0.00 -2.10 0.00 0.00 70.33 68.86 3hk8 n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hk8 n TYR 48 N 1.09 2.04 0.31 4.78 9.36 -0.85 -4.75 117.16 129.14 3hk8 n TYR 48 Ca 0.22 0.56 0.17 0.00 3.32 0.00 0.00 57.90 62.17 3hk8 n TYR 48 Cb 0.71 -2.39 1.00 0.00 -0.63 0.00 0.00 39.34 38.03 3hk8 n TYR 48 CO 0.00 0.00 0.00 1.12 0.22 0.00 0.00 176.86 178.20 3hk8 h HIS 49 N 2.84 0.00 -0.51 2.98 2.07 -1.92 -0.28 115.15 120.33 3hk8 h HIS 49 Ca -0.44 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.07 3hk8 h HIS 49 Cb 1.29 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 31.25 3hk8 h HIS 49 CO 0.51 0.00 0.27 1.88 -3.07 0.00 0.00 177.93 177.53 3hk8 h TYR 50 N 0.00 0.67 0.00 6.12 -1.99 -1.95 -2.26 116.97 117.56 3hk8 h TYR 50 Ca 0.00 -0.01 -0.10 0.00 2.00 0.00 0.00 58.73 60.62 3hk8 h TYR 50 Cb 0.03 -0.22 -0.02 0.00 2.00 0.00 0.00 36.73 38.53 3hk8 h TYR 50 CO 0.00 0.48 -0.72 -0.07 -0.00 0.00 0.00 178.16 177.85 3hk8 h LEU 51 N 0.70 0.00 -0.23 3.88 3.38 -1.36 -3.07 115.31 118.61 3hk8 h LEU 51 Ca 0.18 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 3hk8 h LEU 51 Cb 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3hk8 h LEU 51 CO -0.03 0.44 0.06 0.58 0.09 0.00 0.00 178.44 179.59 3hk8 h VAL 52 N 0.00 1.20 -0.71 1.22 2.07 -1.11 -0.04 116.25 118.88 3hk8 h VAL 52 Ca -0.04 -0.64 0.02 0.00 0.82 0.00 0.00 66.70 66.86 3hk8 h VAL 52 Cb 1.38 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 32.30 3hk8 h VAL 52 CO 0.05 0.20 0.45 0.00 0.02 0.00 0.00 177.57 178.30 3hk8 h ALA 53 N 0.88 0.93 -0.51 1.67 0.00 -1.51 -1.99 119.26 118.73 3hk8 h ALA 53 Ca 0.07 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 3hk8 h ALA 53 Cb 0.25 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3hk8 h ALA 53 CO -0.00 0.25 -0.16 0.93 0.00 0.00 0.00 179.25 180.27 3hk8 h GLU 54 N 0.90 1.02 -0.13 0.00 5.08 -1.40 -3.04 114.58 117.00 3hk8 h GLU 54 Ca 0.28 -0.41 -0.10 0.00 -1.00 0.00 0.00 59.36 58.13 3hk8 h GLU 54 Cb -0.02 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 3hk8 h GLU 54 CO -0.09 1.09 -0.38 -0.24 -1.00 0.00 0.00 179.01 178.38 3hk8 h VAL 55 N 0.89 1.30 0.00 3.13 3.04 -0.76 -2.55 116.25 121.29 3hk8 h VAL 55 Ca 0.13 -1.46 0.00 0.00 -1.01 0.00 0.00 66.70 64.35 3hk8 h VAL 55 Cb 0.74 1.62 0.00 0.00 -2.01 0.00 0.00 31.29 31.64 3hk8 h VAL 55 CO 0.06 0.44 0.00 0.23 -1.01 0.00 0.00 177.57 177.29 3hk8 n MET 56 N -4.05 0.15 0.03 4.17 2.81 -0.77 -0.99 117.12 118.48 3hk8 n MET 56 Ca -0.01 0.48 0.13 0.00 -1.81 0.00 0.00 57.70 56.49 3hk8 n MET 56 Cb 0.46 -1.84 0.42 0.00 -0.71 0.00 0.00 33.22 31.55 3hk8 n MET 56 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 3hk8 n ARG 57 N -2.13 0.11 -0.02 0.03 1.74 -0.96 -4.44 116.66 110.98 3hk8 n ARG 57 Ca 0.01 0.06 -0.05 0.00 -0.77 0.00 0.00 57.85 57.10 3hk8 n ARG 57 Cb 0.15 -1.60 -0.02 0.00 -1.02 0.00 0.00 32.46 29.97 3hk8 n ARG 57 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 3hk8 n TRP 58 N -1.77 0.00 -2.03 -1.55 7.02 -0.36 -5.09 117.44 113.66 3hk8 n TRP 58 Ca 0.06 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.17 3hk8 n TRP 58 Cb 0.38 -0.17 0.03 0.00 -2.42 0.00 0.00 31.31 29.12 3hk8 n TRP 58 CO 0.00 0.00 0.00 -0.08 -2.02 0.00 0.00 177.69 175.59 3hk8 s THR 59 N -2.09 2.64 -1.75 -0.99 -1.32 -0.16 -4.93 115.64 107.04 3hk8 s THR 59 Ca -0.07 0.42 0.26 0.00 -1.21 0.00 0.00 61.69 61.10 3hk8 s THR 59 Cb 0.02 -3.19 0.25 0.00 -1.51 0.00 0.00 72.50 68.08 3hk8 s THR 59 CO 0.09 -0.06 1.55 0.47 -2.21 0.00 0.00 174.62 174.45 3hk8 n ASP 60 N -1.29 1.05 -4.71 8.08 8.00 -1.26 -4.86 116.55 121.55 3hk8 n ASP 60 Ca 0.12 -0.90 -0.42 0.00 0.71 0.00 0.00 54.79 54.30 3hk8 n ASP 60 Cb 0.49 0.15 -0.03 0.00 -0.02 0.00 0.00 41.12 41.71 3hk8 n ASP 60 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3hk8 s VAL 61 N -2.51 3.64 0.73 2.53 1.01 -1.26 -4.99 120.40 119.55 3hk8 s VAL 61 Ca 0.24 1.16 -0.13 0.00 0.00 0.00 0.00 61.98 63.25 3hk8 s VAL 61 Cb 0.19 -3.74 0.04 0.00 0.00 0.00 0.00 36.38 32.87 3hk8 s VAL 61 CO 0.53 0.08 1.12 -0.94 0.00 0.00 0.00 175.10 175.89 3hk8 s SER 62 N 1.19 4.53 0.34 3.32 1.04 -1.26 -4.84 113.70 118.01 3hk8 s SER 62 Ca 0.62 2.02 0.04 0.00 0.48 0.00 0.00 55.95 59.11 3hk8 s SER 62 Cb -0.33 -2.55 0.61 0.00 0.10 0.00 0.00 66.02 63.85 3hk8 s SER 62 CO 0.29 -2.02 1.90 -0.29 0.98 0.00 0.00 173.24 174.10 3hk8 h ILE 63 N -0.59 1.19 -0.16 -1.02 6.09 -1.96 -1.03 117.51 120.02 3hk8 h ILE 63 Ca -0.45 -0.69 -0.01 0.00 -1.37 0.00 0.00 64.86 62.33 3hk8 h ILE 63 Cb 1.25 0.82 -0.01 0.00 0.47 0.00 0.00 36.82 39.35 3hk8 h ILE 63 CO 0.51 0.25 0.04 -0.33 -3.07 0.00 0.00 178.15 175.55 3hk8 h GLU 64 N 0.57 0.25 -0.59 2.19 3.07 -1.93 -1.83 114.58 116.31 3hk8 h GLU 64 Ca 0.13 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 58.92 3hk8 h GLU 64 Cb 0.25 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.10 3hk8 h GLU 64 CO 0.00 0.39 0.33 0.00 -1.40 0.00 0.00 179.01 178.33 3hk8 h ALA 65 N 0.85 1.48 -0.13 3.43 0.00 -1.84 -1.98 119.26 121.07 3hk8 h ALA 65 Ca 0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3hk8 h ALA 65 Cb 0.25 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3hk8 h ALA 65 CO -0.00 0.44 0.05 0.35 0.00 0.00 0.00 179.25 180.09 3hk8 h PHE 66 N 0.81 0.21 0.00 0.00 3.57 -0.87 -2.14 116.94 118.52 3hk8 h PHE 66 Ca 0.21 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.69 3hk8 h PHE 66 Cb 0.00 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 38.68 3hk8 h PHE 66 CO 0.00 0.29 0.00 -1.49 -2.23 0.00 0.00 178.31 174.89 3hk8 h TRP 67 N 0.06 0.00 0.00 0.41 -0.00 -0.96 -2.24 115.95 113.22 3hk8 h TRP 67 Ca 0.04 0.00 -0.08 0.00 -0.00 0.00 0.00 58.89 58.86 3hk8 h TRP 67 Cb 0.17 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.32 3hk8 h TRP 67 CO -0.01 0.00 -0.70 0.00 -0.00 0.00 0.00 178.44 177.72 3hk8 h ALA 68 N 2.04 0.71 -2.30 1.49 0.00 -0.84 -3.47 119.26 116.89 3hk8 h ALA 68 Ca 0.00 -0.36 -0.50 0.00 0.00 0.00 0.00 54.91 54.05 3hk8 h ALA 68 Cb 0.32 0.04 0.16 0.00 0.00 0.00 0.00 17.79 18.30 3hk8 h ALA 68 CO 0.00 0.43 0.26 -1.64 0.00 0.00 0.00 179.25 178.30 3hk8 s MET 69 N -3.09 1.51 0.75 0.00 -1.94 -0.85 -5.02 119.30 110.66 3hk8 s MET 69 Ca 0.02 1.17 -0.12 0.00 -1.71 0.00 0.00 55.69 55.06 3hk8 s MET 69 Cb 0.08 -1.81 0.04 0.00 2.01 0.00 0.00 34.83 35.15 3hk8 s MET 69 CO 0.75 -2.17 1.12 -1.54 -0.01 0.00 0.00 175.02 173.18 3hk8 s SER 70 N -3.16 5.03 0.46 3.03 1.04 -1.26 -4.83 113.70 114.02 3hk8 s SER 70 Ca 0.64 1.03 0.15 0.00 0.48 0.00 0.00 55.95 58.25 3hk8 s SER 70 Cb -0.19 -1.72 1.07 0.00 0.10 0.00 0.00 66.02 65.28 3hk8 s SER 70 CO 0.57 -1.60 2.02 0.50 0.98 0.00 0.00 173.24 175.72 3hk8 h LYS 71 N -0.83 0.00 -0.36 4.02 3.64 -1.96 -1.18 116.57 119.90 3hk8 h LYS 71 Ca -0.46 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 58.86 3hk8 h LYS 71 Cb 1.28 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.09 3hk8 h LYS 71 CO 0.64 0.15 -0.02 -0.09 -2.27 0.00 0.00 179.45 177.87 3hk8 h ARG 72 N 0.00 0.66 -0.45 1.90 2.43 -1.95 -1.61 114.38 115.37 3hk8 h ARG 72 Ca -0.00 -0.22 -0.14 0.00 -0.81 0.00 0.00 59.98 58.81 3hk8 h ARG 72 Cb 0.28 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 3hk8 h ARG 72 CO 0.02 0.78 -0.26 0.93 -1.51 0.00 0.00 179.97 179.93 3hk8 h GLU 73 N 0.47 0.96 -0.33 0.20 5.08 -1.78 -1.26 114.58 117.91 3hk8 h GLU 73 Ca 0.10 -0.43 -0.01 0.00 -1.00 0.00 0.00 59.36 58.02 3hk8 h GLU 73 Cb 0.49 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 3hk8 h GLU 73 CO 0.02 1.10 0.17 1.96 -1.00 0.00 0.00 179.01 181.26 3hk8 h GLN 74 N 0.82 0.48 -0.94 2.33 4.20 -1.18 -0.45 115.11 120.37 3hk8 h GLN 74 Ca 0.10 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.74 3hk8 h GLN 74 Cb 0.84 -0.09 -0.05 0.00 0.30 0.00 0.00 27.48 28.49 3hk8 h GLN 74 CO 0.07 0.43 0.58 0.00 -0.67 0.00 0.00 178.83 179.24 3hk8 h ALA 75 N 1.02 1.19 -0.52 3.87 0.00 -1.17 -0.41 119.26 123.24 3hk8 h ALA 75 Ca 0.12 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 3hk8 h ALA 75 Cb 0.10 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3hk8 h ALA 75 CO -0.02 0.63 -0.09 -0.44 0.00 0.00 0.00 179.25 179.34 3hk8 h ASP 76 N 1.28 0.95 -0.03 0.00 3.32 -0.88 -1.33 116.42 119.74 3hk8 h ASP 76 Ca 0.34 -0.30 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 3hk8 h ASP 76 Cb -0.08 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.21 3hk8 h ASP 76 CO -0.07 1.05 0.01 0.25 -1.72 0.00 0.00 179.24 178.77 3hk8 h LEU 77 N 0.86 0.04 -1.10 1.55 5.85 -0.49 -1.42 115.31 120.60 3hk8 h LEU 77 Ca 0.14 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.62 3hk8 h LEU 77 Cb 0.63 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 3hk8 h LEU 77 CO 0.04 0.25 0.37 0.40 -0.34 0.00 0.00 178.44 179.16 3hk8 h ILE 78 N -0.17 1.22 -0.28 4.05 2.04 -1.04 0.82 117.51 124.15 3hk8 h ILE 78 Ca 0.01 -0.58 -0.03 0.00 1.00 0.00 0.00 64.86 65.26 3hk8 h ILE 78 Cb 0.23 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 3hk8 h ILE 78 CO -0.00 0.25 0.07 -0.25 0.00 0.00 0.00 178.15 178.22 3hk8 h TRP 79 N 1.00 0.46 0.10 1.37 2.91 -1.13 -0.30 115.95 120.36 3hk8 h TRP 79 Ca 0.25 -0.05 -0.01 0.00 1.13 0.00 0.00 58.89 60.21 3hk8 h TRP 79 Cb 0.06 -0.13 0.00 0.00 -0.51 0.00 0.00 29.16 28.58 3hk8 h TRP 79 CO 0.01 0.51 -0.05 1.49 -1.03 0.00 0.00 178.44 179.37 3hk8 h GLU 80 N 0.28 -0.13 -0.27 2.65 4.57 -0.85 -0.70 114.58 120.12 3hk8 h GLU 80 Ca 0.09 0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.23 3hk8 h GLU 80 Cb 0.27 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.89 3hk8 h GLU 80 CO 0.00 0.10 0.00 0.93 -1.18 0.00 0.00 179.01 178.86 3hk8 h GLU 81 N -0.36 0.48 0.00 1.92 4.39 -0.84 0.53 114.58 120.71 3hk8 h GLU 81 Ca -0.01 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.53 3hk8 h GLU 81 Cb 0.30 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 3hk8 h GLU 81 CO 0.02 0.64 -1.53 1.28 -1.16 0.00 0.00 179.01 178.26 3hk8 n LEU 82 N -4.61 0.39 -0.05 1.33 4.77 -0.13 -3.76 117.00 114.94 3hk8 n LEU 82 Ca -0.03 0.11 -0.06 0.00 -0.03 0.00 0.00 56.01 55.99 3hk8 n LEU 82 Cb 0.25 -0.03 -0.07 0.00 -2.33 0.00 0.00 43.42 41.24 3hk8 n LEU 82 CO 0.38 -0.06 -0.85 0.49 -1.33 0.00 0.00 177.39 176.02 3hk8 n PHE 83 N -2.37 0.00 -0.11 -1.77 3.72 -0.31 -3.29 117.46 113.32 3hk8 n PHE 83 Ca -0.02 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.13 3hk8 n PHE 83 Cb 0.55 -0.48 -0.11 0.00 -0.94 0.00 0.00 39.48 38.50 3hk8 n PHE 83 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 3hk8 n ILE 84 N -2.58 1.55 0.20 4.37 2.08 -0.96 -4.37 119.36 119.65 3hk8 n ILE 84 Ca -0.18 -0.26 0.08 0.00 0.56 0.00 0.00 62.75 62.95 3hk8 n ILE 84 Cb 0.78 -1.91 0.36 0.00 -0.75 0.00 0.00 39.64 38.11 3hk8 n ILE 84 CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 3hk8 h LYS 85 N -0.87 0.00 -3.77 0.38 1.57 -1.05 -3.44 116.57 109.39 3hk8 h LYS 85 Ca -0.52 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.11 3hk8 h LYS 85 Cb 1.53 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 33.64 3hk8 h LYS 85 CO -0.28 0.29 -0.57 1.03 -0.57 0.00 0.00 179.45 179.35 3hk8 s ARG 86 N -3.52 0.46 0.31 3.15 3.00 -1.25 -5.06 118.95 116.04 3hk8 s ARG 86 Ca 0.01 -0.59 -0.29 0.00 0.00 0.00 0.00 55.73 54.86 3hk8 s ARG 86 Cb 0.10 0.18 -0.10 0.00 0.00 0.00 0.00 34.95 35.13 3hk8 s ARG 86 CO 0.67 -0.10 1.34 -1.12 0.00 0.00 0.00 175.30 176.08 3hk8 s SER 87 N -1.66 6.74 -1.38 0.23 0.01 -1.26 -3.61 113.70 112.77 3hk8 s SER 87 Ca -0.12 2.68 -0.10 0.00 1.31 0.00 0.00 55.95 59.73 3hk8 s SER 87 Cb -0.06 -2.64 -0.07 0.00 0.21 0.00 0.00 66.02 63.46 3hk8 s SER 87 CO -0.01 -0.57 2.62 -0.81 0.41 0.00 0.00 173.24 174.87 3hk8 n PRO 88 N 1.17 3.09 0.05 12.44 -0.04 -1.21 -4.65 135.00 145.85 3hk8 n PRO 88 Ca 0.02 -2.01 0.13 0.00 -0.04 0.00 0.00 63.50 61.59 3hk8 n PRO 88 Cb 0.41 -2.75 0.34 0.00 -0.04 0.00 0.00 33.50 31.46 3hk8 n PRO 88 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3hk8 n VAL 89 N 3.99 0.26 -1.16 0.52 0.24 -1.26 -3.61 118.33 117.31 3hk8 n VAL 89 Ca 0.66 -0.16 -0.31 0.00 -2.04 0.00 0.00 64.34 62.48 3hk8 n VAL 89 Cb 0.22 -0.23 0.11 0.00 -1.47 0.00 0.00 33.84 32.47 3hk8 n VAL 89 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3hk8 s SER 90 N -3.78 4.12 0.22 -1.34 1.04 -1.26 -4.75 113.70 107.94 3hk8 s SER 90 Ca 0.10 1.96 -0.09 0.00 0.48 0.00 0.00 55.95 58.40 3hk8 s SER 90 Cb 0.15 -2.54 0.23 0.00 0.10 0.00 0.00 66.02 63.96 3hk8 s SER 90 CO 0.65 -2.29 1.84 -0.08 0.98 0.00 0.00 173.24 174.34 3hk8 h GLU 91 N -1.18 0.84 -0.52 4.02 4.57 -1.97 0.32 114.58 120.65 3hk8 h GLU 91 Ca -0.44 -0.05 -0.11 0.00 -1.18 0.00 0.00 59.36 57.58 3hk8 h GLU 91 Cb 1.25 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 29.63 3hk8 h GLU 91 CO 0.49 0.55 -0.11 0.00 -1.18 0.00 0.00 179.01 178.77 3hk8 h ALA 92 N 1.33 0.71 -0.38 2.92 0.00 -1.95 -0.92 119.26 120.97 3hk8 h ALA 92 Ca 0.31 -0.35 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 3hk8 h ALA 92 Cb 0.08 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3hk8 h ALA 92 CO -0.13 0.62 -0.21 0.00 0.00 0.00 0.00 179.25 179.52 3hk8 h ARG 94 N 0.61 1.02 -0.86 0.00 2.43 -0.84 -2.12 114.38 114.63 3hk8 h ARG 94 Ca 0.08 -0.06 0.04 0.00 -0.81 0.00 0.00 59.98 59.23 3hk8 h ARG 94 Cb 0.77 -0.23 -0.05 0.00 -0.42 0.00 0.00 29.97 30.04 3hk8 h ARG 94 CO 0.06 0.68 0.54 0.78 -1.51 0.00 0.00 179.97 180.52 3hk8 h GLY 95 N 1.05 1.26 0.93 2.80 0.00 -0.81 -1.40 103.07 106.90 3hk8 h GLY 95 Ca 0.38 -0.41 0.01 0.00 0.00 0.00 0.00 47.33 47.32 3hk8 h GLY 95 CO -0.16 0.32 0.24 -2.08 0.00 0.00 0.00 176.54 174.86 3hk8 h VAL 96 N 1.03 1.05 -0.69 4.60 2.07 -1.06 -1.51 116.25 121.75 3hk8 h VAL 96 Ca 0.35 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.69 3hk8 h VAL 96 Cb 0.07 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 3hk8 h VAL 96 CO -0.14 0.09 0.37 -0.07 0.02 0.00 0.00 177.57 177.85 3hk8 h LEU 97 N 0.49 0.86 -1.09 2.57 3.38 -1.25 -1.56 115.31 118.71 3hk8 h LEU 97 Ca 0.16 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.04 3hk8 h LEU 97 Cb -0.01 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.47 3hk8 h LEU 97 CO -0.06 0.71 0.61 0.74 0.09 0.00 0.00 178.44 180.53 3hk8 h THR 98 N 0.95 1.22 -0.31 0.22 2.02 -0.89 -1.03 112.91 115.08 3hk8 h THR 98 Ca 0.24 -0.42 -0.03 0.00 0.77 0.00 0.00 66.41 66.96 3hk8 h THR 98 Cb 0.04 -0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.32 3hk8 h THR 98 CO -0.04 0.23 0.06 0.00 0.37 0.00 0.00 175.52 176.14 3hk8 h LEU 100 N 0.34 -0.56 -0.94 0.00 3.38 -0.74 -1.84 115.31 114.95 3hk8 h LEU 100 Ca 0.10 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.13 3hk8 h LEU 100 Cb 0.33 0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 3hk8 h LEU 100 CO 0.00 -0.32 0.62 -0.61 0.09 0.00 0.00 178.44 178.22 3hk8 h GLN 101 N -0.49 1.20 0.00 1.13 4.15 -1.19 -0.69 115.11 119.22 3hk8 h GLN 101 Ca -0.01 -0.07 -0.04 0.00 0.77 0.00 0.00 58.65 59.30 3hk8 h GLN 101 Cb 0.43 -0.27 -0.01 0.00 0.21 0.00 0.00 27.48 27.85 3hk8 h GLN 101 CO -0.02 0.79 -0.17 0.78 -1.93 0.00 0.00 178.83 178.29 3hk8 h GLY 102 N 1.24 0.00 0.90 2.39 0.00 -0.92 -1.14 103.07 105.54 3hk8 h GLY 102 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.69 3hk8 h GLY 102 CO -0.10 0.00 -0.07 1.04 0.00 0.00 0.00 176.54 177.42 3hk8 n LEU 103 N -4.25 0.41 0.00 3.11 4.77 -0.71 -4.89 117.00 115.44 3hk8 n LEU 103 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 3hk8 n LEU 103 Cb 0.24 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 3hk8 n LEU 103 CO 0.36 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 3hk8 n GLY 104 N 1.23 0.60 3.88 -0.72 0.00 -0.43 -5.07 105.19 104.67 3hk8 n GLY 104 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 3hk8 n GLY 104 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hk8 s LEU 105 N 0.00 3.04 -0.38 0.99 1.43 -0.34 -4.97 118.68 118.45 3hk8 s LEU 105 Ca 0.00 1.22 -0.02 0.00 -1.03 0.00 0.00 54.13 54.30 3hk8 s LEU 105 Cb 0.00 -4.12 0.09 0.00 0.03 0.00 0.00 46.19 42.20 3hk8 s LEU 105 CO 0.00 -1.15 0.15 -0.62 0.23 0.00 0.00 176.35 174.97 3hk8 s ASP 106 N -4.29 5.16 0.61 2.29 2.15 -1.26 -3.76 116.67 117.58 3hk8 s ASP 106 Ca 0.57 -1.85 0.41 0.00 0.43 0.00 0.00 52.55 52.11 3hk8 s ASP 106 Cb -0.11 -1.80 2.22 0.00 -0.30 0.00 0.00 42.92 42.93 3hk8 s ASP 106 CO 0.52 -0.47 2.26 -0.65 -0.17 0.00 0.00 175.17 176.66 3hk8 h PRO 107 N 8.02 0.00 -0.23 4.34 0.11 -1.91 -2.46 132.00 139.87 3hk8 h PRO 107 Ca -0.14 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.93 3hk8 h PRO 107 Cb 1.05 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 3hk8 h PRO 107 CO 0.65 0.00 -0.03 0.00 -0.21 0.00 0.00 178.00 178.41 3hk8 h ALA 108 N 2.00 1.53 0.00 -0.75 0.00 -2.01 -2.67 119.26 117.37 3hk8 h ALA 108 Ca 0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 3hk8 h ALA 108 Cb 0.02 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3hk8 h ALA 108 CO 0.00 0.34 -0.19 1.79 0.00 0.00 0.00 179.25 181.19 3hk8 h THR 109 N 0.33 0.32 -2.85 0.00 1.35 -1.88 -3.47 112.91 106.71 3hk8 h THR 109 Ca 0.07 -1.44 -0.33 0.00 -0.55 0.00 0.00 66.41 64.17 3hk8 h THR 109 Cb 0.27 2.14 -0.05 0.00 -1.73 0.00 0.00 68.15 68.79 3hk8 h THR 109 CO 0.01 0.18 -0.39 0.54 -0.25 0.00 0.00 175.52 175.62 3hk8 n ARG 110 N -3.15 -1.81 -2.98 4.72 1.74 -1.01 -4.89 116.66 109.28 3hk8 n ARG 110 Ca 0.03 0.83 -0.44 0.00 -0.77 0.00 0.00 57.85 57.50 3hk8 n ARG 110 Cb 0.60 -5.37 -0.02 0.00 -1.02 0.00 0.00 32.46 26.65 3hk8 n ARG 110 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3hk8 s ASP 111 N -2.13 6.77 0.37 0.55 -1.08 -1.26 -4.87 116.67 115.02 3hk8 s ASP 111 Ca 0.00 -2.39 0.05 0.00 -0.52 0.00 0.00 52.55 49.69 3hk8 s ASP 111 Cb 0.00 -2.38 0.73 0.00 -1.46 0.00 0.00 42.92 39.81 3hk8 s ASP 111 CO 0.00 -0.92 2.00 0.25 0.52 0.00 0.00 175.17 177.02 3hk8 h LEU 112 N 9.88 0.64 -0.73 -1.34 5.85 -1.98 -1.96 115.31 125.68 3hk8 h LEU 112 Ca 0.19 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.83 3hk8 h LEU 112 Cb 0.98 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.84 3hk8 h LEU 112 CO 1.11 0.45 0.11 1.56 -0.34 0.00 0.00 178.44 181.32 3hk8 h GLN 113 N 0.75 1.08 -0.47 1.25 1.08 -2.00 -1.70 115.11 115.10 3hk8 h GLN 113 Ca 0.25 -0.28 -0.12 0.00 -1.45 0.00 0.00 58.65 57.04 3hk8 h GLN 113 Cb 0.06 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.34 3hk8 h GLN 113 CO -0.07 0.99 -0.17 0.28 -0.95 0.00 0.00 178.83 178.91 3hk8 h VAL 114 N 1.01 1.27 -0.79 -0.54 2.07 -1.80 -2.92 116.25 114.56 3hk8 h VAL 114 Ca 0.20 -1.32 -0.01 0.00 0.82 0.00 0.00 66.70 66.39 3hk8 h VAL 114 Cb 0.43 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 31.29 3hk8 h VAL 114 CO 0.01 0.45 0.44 1.88 0.02 0.00 0.00 177.57 180.38 3hk8 h TYR 115 N 0.80 1.07 -0.28 1.57 0.05 -1.13 -2.16 116.97 116.89 3hk8 h TYR 115 Ca 0.11 -0.02 0.01 0.00 0.05 0.00 0.00 58.73 58.89 3hk8 h TYR 115 Cb 0.74 -0.35 -0.01 0.00 1.01 0.00 0.00 36.73 38.12 3hk8 h TYR 115 CO 0.05 0.74 0.18 0.00 -1.05 0.00 0.00 178.16 178.09 3hk8 h ARG 116 N 1.09 0.31 -0.77 4.88 3.08 -1.19 -2.33 114.38 119.45 3hk8 h ARG 116 Ca 0.28 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.34 3hk8 h ARG 116 Cb 0.02 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 29.95 3hk8 h ARG 116 CO -0.05 0.21 0.50 0.93 -1.07 0.00 0.00 179.97 180.49 3hk8 h GLU 117 N 0.32 0.95 -0.72 0.04 4.39 -1.20 -2.58 114.58 115.78 3hk8 h GLU 117 Ca 0.11 -0.06 0.12 0.00 0.34 0.00 0.00 59.36 59.87 3hk8 h GLU 117 Cb 0.04 -0.21 -0.08 0.00 -0.10 0.00 0.00 28.75 28.39 3hk8 h GLU 117 CO -0.02 0.63 0.31 -0.92 -1.16 0.00 0.00 179.01 177.85 3hk8 h TYR 118 N 0.98 0.54 0.04 4.33 3.20 -1.44 -2.95 116.97 121.68 3hk8 h TYR 118 Ca 0.30 0.03 -0.24 0.00 3.14 0.00 0.00 58.73 61.97 3hk8 h TYR 118 Cb -0.02 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.13 3hk8 h TYR 118 CO -0.03 0.13 -1.03 0.74 -1.64 0.00 0.00 178.16 176.33 3hk8 h PHE 119 N 0.50 0.59 0.00 -3.82 0.04 -1.57 -3.32 116.94 109.36 3hk8 h PHE 119 Ca 0.38 -0.35 0.00 0.00 2.80 0.00 0.00 57.97 60.80 3hk8 h PHE 119 Cb 0.50 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 38.60 3hk8 h PHE 119 CO -0.14 1.19 0.00 0.00 -0.60 0.00 0.00 178.31 178.76 3hk8 h ALA 120 N 0.69 1.00 -0.65 2.45 0.00 -1.29 -2.84 119.26 118.62 3hk8 h ALA 120 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3hk8 h ALA 120 Cb 1.69 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.48 3hk8 h ALA 120 CO 0.18 0.00 0.00 0.36 0.00 0.00 0.00 179.25 179.79 3hk8 n LYS 121 N -2.95 3.95 -4.36 0.00 2.85 -1.22 -4.96 118.16 111.47 3hk8 n LYS 121 Ca -0.01 -2.95 -0.19 0.00 -1.05 0.00 0.00 58.31 54.11 3hk8 n LYS 121 Cb 0.16 -1.96 -0.10 0.00 -0.65 0.00 0.00 35.03 32.48 3hk8 n LYS 121 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 3hk8 s LYS 122 N -1.98 1.37 0.30 -1.58 1.02 -1.07 -5.14 119.74 112.66 3hk8 s LYS 122 Ca 0.53 -1.64 0.06 0.00 0.02 0.00 0.00 55.97 54.93 3hk8 s LYS 122 Cb 0.35 -1.02 -0.02 0.00 -0.52 0.00 0.00 37.83 36.62 3hk8 s LYS 122 CO 0.24 0.10 0.43 0.95 -0.92 0.00 0.00 175.35 176.15 3hk8 s THR 123 N -3.07 4.43 0.19 2.17 -4.23 -1.26 -4.97 115.64 108.89 3hk8 s THR 123 Ca 0.25 -1.01 -0.12 0.00 -1.18 0.00 0.00 61.69 59.62 3hk8 s THR 123 Cb 0.02 -3.54 0.10 0.00 1.34 0.00 0.00 72.50 70.42 3hk8 s THR 123 CO 0.08 -0.21 1.85 0.77 -0.54 0.00 0.00 174.62 176.56 3hk8 h SER 124 N 1.00 0.73 -0.96 3.99 4.64 -1.97 -1.30 113.55 119.68 3hk8 h SER 124 Ca -0.48 -0.03 0.06 0.00 -0.47 0.00 0.00 61.79 60.87 3hk8 h SER 124 Cb 1.25 -0.18 -0.06 0.00 -0.31 0.00 0.00 62.40 63.09 3hk8 h SER 124 CO 0.56 0.54 0.62 -0.33 -0.87 0.00 0.00 176.83 177.35 3hk8 h GLU 125 N 0.84 1.08 -0.31 4.77 3.07 -1.95 0.12 114.58 122.20 3hk8 h GLU 125 Ca 0.23 -0.07 -0.12 0.00 -0.50 0.00 0.00 59.36 58.91 3hk8 h GLU 125 Cb -0.07 -0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 27.59 3hk8 h GLU 125 CO -0.05 0.72 -0.25 0.93 -1.40 0.00 0.00 179.01 178.96 3hk8 h GLU 126 N 1.12 0.73 -0.20 2.33 5.08 -1.79 -2.53 114.58 119.31 3hk8 h GLU 126 Ca 0.41 -0.36 -0.08 0.00 -1.00 0.00 0.00 59.36 58.32 3hk8 h GLU 126 Cb 0.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 3hk8 h GLU 126 CO -0.15 0.98 -0.25 0.37 -1.00 0.00 0.00 179.01 178.96 3hk8 h GLN 127 N 0.49 0.36 -0.46 2.33 5.75 -0.70 -1.00 115.11 121.89 3hk8 h GLN 127 Ca 0.06 -0.13 -0.05 0.00 -0.15 0.00 0.00 58.65 58.38 3hk8 h GLN 127 Cb 0.82 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.32 3hk8 h GLN 127 CO 0.07 0.59 0.09 0.28 -2.65 0.00 0.00 178.83 177.20 3hk8 h VAL 128 N 0.32 1.24 -0.50 2.39 2.07 -0.89 0.85 116.25 121.74 3hk8 h VAL 128 Ca 0.05 -0.88 -0.02 0.00 0.82 0.00 0.00 66.70 66.67 3hk8 h VAL 128 Cb 0.61 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 3hk8 h VAL 128 CO 0.04 0.31 0.23 0.44 0.02 0.00 0.00 177.57 178.61 3hk8 h ASP 129 N 0.62 0.67 0.49 0.57 3.32 -1.11 -1.67 116.42 119.31 3hk8 h ASP 129 Ca 0.14 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 3hk8 h ASP 129 Cb 0.37 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.75 3hk8 h ASP 129 CO 0.01 0.63 -0.23 0.74 -1.72 0.00 0.00 179.24 178.66 3hk8 h THR 130 N 0.67 0.52 -0.07 0.35 2.02 -0.88 -2.54 112.91 112.97 3hk8 h THR 130 Ca 0.17 -0.04 -0.00 0.00 0.77 0.00 0.00 66.41 67.31 3hk8 h THR 130 Cb 0.14 0.54 -0.00 0.00 -1.74 0.00 0.00 68.15 67.09 3hk8 h THR 130 CO -0.02 0.01 0.04 0.58 0.37 0.00 0.00 175.52 176.50 3hk8 h VAL 131 N -0.68 1.07 -0.25 3.16 2.07 -0.80 -0.95 116.25 119.88 3hk8 h VAL 131 Ca -0.07 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 3hk8 h VAL 131 Cb 0.51 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 3hk8 h VAL 131 CO 0.11 0.06 0.15 -0.07 0.02 0.00 0.00 177.57 177.84 3hk8 h LEU 132 N 0.04 0.29 -0.06 2.57 3.38 -1.36 0.28 115.31 120.44 3hk8 h LEU 132 Ca 0.03 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 3hk8 h LEU 132 Cb 0.07 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 3hk8 h LEU 132 CO -0.00 0.23 -0.10 -0.61 0.09 0.00 0.00 178.44 178.04 3hk8 h GLN 133 N 0.34 0.18 -0.43 1.13 -0.00 -1.15 0.44 115.11 115.62 3hk8 h GLN 133 Ca 0.09 -0.11 -0.01 0.00 -0.00 0.00 0.00 58.65 58.62 3hk8 h GLN 133 Cb -0.01 0.01 -0.02 0.00 0.00 0.00 0.00 27.48 27.47 3hk8 h GLN 133 CO -0.02 0.68 0.21 -0.07 0.00 0.00 0.00 178.83 179.63 3hk8 h LEU 134 N -0.29 0.55 -0.04 -2.39 3.38 -0.57 -2.61 115.31 113.33 3hk8 h LEU 134 Ca 0.01 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3hk8 h LEU 134 Cb 0.66 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.27 3hk8 h LEU 134 CO 0.02 0.51 -0.03 0.00 0.09 0.00 0.00 178.44 179.03 3hk8 n ALA 135 N -2.28 2.55 -3.79 1.53 0.00 0.93 -4.92 120.51 114.53 3hk8 n ALA 135 Ca 0.01 -0.17 -0.24 0.00 0.00 0.00 0.00 53.44 53.04 3hk8 n ALA 135 Cb 0.10 -1.45 0.02 0.00 0.00 0.00 0.00 19.45 18.13 3hk8 n ALA 135 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3hk8 n ASN 136 N -1.25 -1.98 -4.43 0.00 5.15 0.02 -4.81 115.26 107.96 3hk8 n ASN 136 Ca 0.13 -0.83 -0.37 0.00 -0.60 0.00 0.00 54.58 52.91 3hk8 n ASN 136 Cb 0.26 -3.90 -0.12 0.00 -0.53 0.00 0.00 39.78 35.49 3hk8 n ASN 136 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3hk8 s VAL 137 N -3.61 4.29 -0.06 3.44 1.01 -0.44 -0.66 120.40 124.37 3hk8 s VAL 137 Ca 0.17 -0.27 0.10 0.00 0.00 0.00 0.00 61.98 61.98 3hk8 s VAL 137 Cb -0.09 -3.05 -0.24 0.00 0.00 0.00 0.00 36.38 33.01 3hk8 s VAL 137 CO 0.83 0.27 0.60 -1.54 0.00 0.00 0.00 175.10 175.26 3hk8 n SER 138 N 4.92 1.02 -3.86 3.32 3.41 0.03 -4.75 113.62 117.72 3hk8 n SER 138 Ca -0.16 0.38 -0.16 0.00 -0.26 0.00 0.00 58.87 58.67 3hk8 n SER 138 Cb 0.51 -0.14 -0.15 0.00 -0.26 0.00 0.00 64.21 64.16 3hk8 n SER 138 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3hk8 s ASP 139 N -6.20 0.37 -0.09 4.04 1.01 -1.11 -4.77 116.67 109.91 3hk8 s ASP 139 Ca -0.07 -0.04 0.04 0.00 0.71 0.00 0.00 52.55 53.19 3hk8 s ASP 139 Cb 0.08 -0.14 -0.01 0.00 1.01 0.00 0.00 42.92 43.87 3hk8 s ASP 139 CO 0.82 -0.04 -0.23 -0.69 0.21 0.00 0.00 175.17 175.24 3hk8 s VAL 140 N 0.54 2.20 -0.25 -1.27 1.01 -0.09 -0.43 120.40 122.11 3hk8 s VAL 140 Ca -0.05 -0.98 -0.10 0.00 0.00 0.00 0.00 61.98 60.85 3hk8 s VAL 140 Cb -0.08 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 3hk8 s VAL 140 CO -0.01 0.56 0.14 -0.69 0.00 0.00 0.00 175.10 175.10 3hk8 s VAL 141 N 0.19 5.01 0.77 2.92 1.01 -0.10 -0.35 120.40 129.84 3hk8 s VAL 141 Ca -0.13 0.06 -0.08 0.00 0.00 0.00 0.00 61.98 61.82 3hk8 s VAL 141 Cb -0.16 -3.35 0.09 0.00 0.00 0.00 0.00 36.38 32.96 3hk8 s VAL 141 CO 0.07 0.32 1.09 -0.04 0.00 0.00 0.00 175.10 176.54 3hk8 s MET 142 N 1.40 1.84 -0.28 2.72 -1.94 0.16 -1.64 119.30 121.56 3hk8 s MET 142 Ca 0.06 -0.31 0.02 0.00 -1.71 0.00 0.00 55.69 53.75 3hk8 s MET 142 Cb -0.15 -2.10 0.06 0.00 2.01 0.00 0.00 34.83 34.66 3hk8 s MET 142 CO 0.06 -1.51 -0.06 0.99 -0.01 0.00 0.00 175.02 174.49 3hk8 s THR 143 N -3.40 2.39 -0.31 2.05 2.01 -1.15 -3.44 115.64 113.79 3hk8 s THR 143 Ca 0.63 -1.68 -0.03 0.00 0.31 0.00 0.00 61.69 60.92 3hk8 s THR 143 Cb -0.09 -2.45 0.05 0.00 0.01 0.00 0.00 72.50 70.01 3hk8 s THR 143 CO 0.47 -0.14 0.03 0.20 -0.69 0.00 0.00 174.62 174.50 3hk8 s ASN 144 N 1.13 5.03 -0.42 3.53 0.01 0.37 -4.95 114.94 119.63 3hk8 s ASN 144 Ca -0.05 -1.21 -0.12 0.00 -0.71 0.00 0.00 52.86 50.77 3hk8 s ASN 144 Cb -0.20 -1.77 0.06 0.00 0.41 0.00 0.00 41.25 39.75 3hk8 s ASN 144 CO -0.04 -0.28 0.29 -0.62 -1.51 0.00 0.00 177.10 174.94 3hk8 s ASP 145 N 1.31 5.85 0.00 -1.22 2.15 -1.26 -1.33 116.67 122.17 3hk8 s ASP 145 Ca -0.04 -1.28 0.10 0.00 0.43 0.00 0.00 52.55 51.76 3hk8 s ASP 145 Cb -0.20 -2.07 0.49 0.00 -0.30 0.00 0.00 42.92 40.84 3hk8 s ASP 145 CO 0.00 -0.53 1.18 -0.81 -0.17 0.00 0.00 175.17 174.85 3hk8 n PRO 146 N 5.04 0.14 0.00 4.34 -0.04 -1.26 -1.80 135.00 141.43 3hk8 n PRO 146 Ca -0.11 0.19 0.12 0.00 -0.04 0.00 0.00 63.50 63.65 3hk8 n PRO 146 Cb 0.44 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.62 3hk8 n PRO 146 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3hk8 n PHE 147 N -1.27 0.00 -3.17 0.54 3.72 -1.26 -4.71 117.46 111.31 3hk8 n PHE 147 Ca 0.05 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.05 3hk8 n PHE 147 Cb 0.07 -0.10 -0.06 0.00 -0.94 0.00 0.00 39.48 38.45 3hk8 n PHE 147 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3hk8 s ASP 148 N -2.63 6.68 0.20 4.37 2.15 -0.74 -4.97 116.67 121.72 3hk8 s ASP 148 Ca 0.19 0.82 -0.10 0.00 0.43 0.00 0.00 52.55 53.88 3hk8 s ASP 148 Cb 0.18 -2.33 0.21 0.00 -0.30 0.00 0.00 42.92 40.68 3hk8 s ASP 148 CO 0.60 -0.21 1.81 0.44 -0.17 0.00 0.00 175.17 177.64 3hk8 h ASP 149 N 7.34 0.52 -0.21 -0.34 3.32 -1.88 -0.35 116.42 124.82 3hk8 h ASP 149 Ca -0.34 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 56.73 3hk8 h ASP 149 Cb 1.15 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.62 3hk8 h ASP 149 CO 0.76 0.34 0.10 0.78 -1.72 0.00 0.00 179.24 179.51 3hk8 h ASN 150 N 0.65 0.27 -0.28 6.45 2.35 -1.95 -2.85 115.58 120.22 3hk8 h ASN 150 Ca 0.28 -0.11 -0.11 0.00 -0.55 0.00 0.00 56.30 55.81 3hk8 h ASN 150 Cb 0.16 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 3hk8 h ASN 150 CO -0.17 0.30 -0.23 -0.33 -1.65 0.00 0.00 177.43 175.35 3hk8 h GLU 151 N 0.21 0.66 -0.84 0.81 5.08 -1.81 -3.23 114.58 115.46 3hk8 h GLU 151 Ca 0.07 -0.33 0.13 0.00 -1.00 0.00 0.00 59.36 58.24 3hk8 h GLU 151 Cb 0.10 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.27 3hk8 h GLU 151 CO -0.01 0.93 0.44 -0.09 -1.00 0.00 0.00 179.01 179.28 3hk8 h ARG 152 N 0.40 0.64 -0.25 2.33 2.43 -1.04 -2.50 114.38 116.38 3hk8 h ARG 152 Ca 0.05 -0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.24 3hk8 h ARG 152 Cb 0.79 -0.14 -0.06 0.00 -0.42 0.00 0.00 29.97 30.13 3hk8 h ARG 152 CO 0.06 0.42 -0.17 0.82 -1.51 0.00 0.00 179.97 179.59 3hk8 h ILE 153 N 0.66 0.52 -0.45 1.20 2.04 -1.52 -0.71 117.51 119.24 3hk8 h ILE 153 Ca 0.45 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.39 3hk8 h ILE 153 Cb 0.58 0.52 -0.08 0.00 -0.74 0.00 0.00 36.82 37.10 3hk8 h ILE 153 CO -0.33 0.00 -0.05 0.28 0.00 0.00 0.00 178.15 178.05 3hk8 h SER 154 N -0.16 -0.29 -0.36 1.72 0.02 -1.57 0.87 113.55 113.79 3hk8 h SER 154 Ca 0.14 0.12 -0.03 0.00 -0.84 0.00 0.00 61.79 61.18 3hk8 h SER 154 Cb 0.37 0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.12 3hk8 h SER 154 CO -0.35 -0.10 0.11 -0.50 -1.14 0.00 0.00 176.83 174.85 3hk8 h TRP 155 N 0.06 0.59 -0.26 3.45 4.06 -1.39 -1.94 115.95 120.52 3hk8 h TRP 155 Ca 0.22 -0.06 -0.04 0.00 2.06 0.00 0.00 58.89 61.06 3hk8 h TRP 155 Cb 0.33 -0.17 -0.01 0.00 -1.00 0.00 0.00 29.16 28.31 3hk8 h TRP 155 CO -0.33 0.58 -0.03 -0.07 -3.56 0.00 0.00 178.44 175.03 3hk8 h LEU 156 N 0.44 0.36 0.00 -4.49 3.38 -0.60 -1.25 115.31 113.15 3hk8 h LEU 156 Ca 0.12 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3hk8 h LEU 156 Cb 0.27 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3hk8 h LEU 156 CO -0.00 0.45 0.00 -0.62 0.09 0.00 0.00 178.44 178.36 3hk8 n GLU 157 N -4.30 0.76 -0.91 1.13 1.02 0.25 -4.86 120.64 113.73 3hk8 n GLU 157 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 3hk8 n GLU 157 Cb 0.23 -1.36 0.00 0.00 -0.02 0.00 0.00 31.44 30.29 3hk8 n GLU 157 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hk8 n GLY 158 N 0.44 0.66 3.69 0.62 0.00 -0.47 -5.00 105.19 105.13 3hk8 n GLY 158 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3hk8 n GLY 158 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hk8 s LYS 159 N -0.09 4.18 -0.12 1.61 1.02 -0.75 -4.99 119.74 120.59 3hk8 s LYS 159 Ca 0.00 2.42 -0.06 0.00 0.02 0.00 0.00 55.97 58.36 3hk8 s LYS 159 Cb 0.00 -3.60 -0.04 0.00 -0.52 0.00 0.00 37.83 33.67 3hk8 s LYS 159 CO 0.00 -0.77 0.10 -0.65 -0.92 0.00 0.00 175.35 173.10 3hk8 s GLN 160 N 2.68 3.37 0.74 1.68 -1.52 -1.26 -4.63 119.66 120.72 3hk8 s GLN 160 Ca 0.76 -0.22 -0.11 0.00 -1.95 0.00 0.00 55.36 53.84 3hk8 s GLN 160 Cb -0.42 -3.09 0.03 0.00 -0.22 0.00 0.00 33.01 29.32 3hk8 s GLN 160 CO 0.34 0.71 1.08 -1.25 -0.25 0.00 0.00 175.29 175.91 3hk8 s PRO 161 N -0.86 2.56 0.58 2.91 0.04 -1.26 -4.98 135.00 134.00 3hk8 s PRO 161 Ca 0.14 1.02 -0.19 0.00 0.04 0.00 0.00 61.00 62.01 3hk8 s PRO 161 Cb -0.12 -1.94 -0.06 0.00 0.04 0.00 0.00 34.50 32.42 3hk8 s PRO 161 CO 0.03 -1.38 0.91 -3.47 0.04 0.00 0.00 177.00 173.13 3hk8 n ASP 162 N -3.33 0.56 0.33 6.66 -0.08 -1.26 -4.85 116.55 114.58 3hk8 n ASP 162 Ca 0.08 0.81 0.22 0.00 -1.51 0.00 0.00 54.79 54.40 3hk8 n ASP 162 Cb 0.53 -1.36 1.15 0.00 2.34 0.00 0.00 41.12 43.79 3hk8 n ASP 162 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 3hk8 h SER 163 N 0.54 0.00 0.97 1.67 4.64 -2.01 -0.61 113.55 118.75 3hk8 h SER 163 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3hk8 h SER 163 Cb 1.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.46 3hk8 h SER 163 CO 0.51 0.00 -0.25 0.54 -0.87 0.00 0.00 176.83 176.76 3hk8 n ARG 164 N -3.08 0.13 -4.27 4.77 1.74 -1.26 -4.83 116.66 109.85 3hk8 n ARG 164 Ca -0.02 0.07 -0.34 0.00 -0.77 0.00 0.00 57.85 56.78 3hk8 n ARG 164 Cb 0.11 -1.61 -0.11 0.00 -1.02 0.00 0.00 32.46 29.83 3hk8 n ARG 164 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3hk8 s PHE 165 N -3.06 3.13 0.09 -1.55 0.08 -0.24 -0.91 117.98 115.53 3hk8 s PHE 165 Ca 0.11 -0.06 0.09 0.00 0.12 0.00 0.00 56.93 57.19 3hk8 s PHE 165 Cb 0.16 -1.95 -0.04 0.00 -0.57 0.00 0.00 43.02 40.62 3hk8 s PHE 165 CO 0.63 0.15 -0.19 -1.01 -0.10 0.00 0.00 175.22 174.70 3hk8 s HIS 166 N 0.05 2.51 0.23 0.36 3.76 0.53 -4.63 115.29 118.09 3hk8 s HIS 166 Ca 0.02 -0.28 -0.10 0.00 -0.15 0.00 0.00 55.06 54.56 3hk8 s HIS 166 Cb -0.13 -1.38 -0.07 0.00 1.11 0.00 0.00 32.58 32.11 3hk8 s HIS 166 CO 0.02 0.33 0.56 0.00 -0.85 0.00 0.00 174.74 174.79 3hk8 s ALA 167 N -1.05 3.56 -0.03 -1.40 0.00 -1.26 0.36 121.76 121.93 3hk8 s ALA 167 Ca 0.16 -0.25 -0.01 0.00 0.00 0.00 0.00 51.96 51.86 3hk8 s ALA 167 Cb -0.10 -2.45 0.03 0.00 0.00 0.00 0.00 23.12 20.59 3hk8 s ALA 167 CO 0.08 0.50 0.05 0.00 0.00 0.00 0.00 175.76 176.39 3hk8 s ALA 168 N -1.81 0.16 -0.71 0.00 0.00 -1.22 -0.96 121.76 117.22 3hk8 s ALA 168 Ca 0.47 0.24 -0.27 0.00 0.00 0.00 0.00 51.96 52.41 3hk8 s ALA 168 Cb -0.11 -0.48 0.03 0.00 0.00 0.00 0.00 23.12 22.56 3hk8 s ALA 168 CO 0.21 -0.34 1.25 -1.17 0.00 0.00 0.00 175.76 175.71 3hk8 s LEU 169 N 1.74 3.27 0.00 0.00 2.96 -0.77 -0.48 118.68 125.40 3hk8 s LEU 169 Ca -0.01 -0.37 -0.28 0.00 -0.22 0.00 0.00 54.13 53.25 3hk8 s LEU 169 Cb -0.12 -2.66 -0.04 0.00 0.50 0.00 0.00 46.19 43.87 3hk8 s LEU 169 CO -0.03 -1.76 0.91 -0.60 -1.32 0.00 0.00 176.35 173.55 3hk8 s ARG 170 N 5.52 4.55 -0.10 1.98 6.06 -0.44 -0.58 118.95 135.94 3hk8 s ARG 170 Ca 0.36 1.29 0.15 0.00 -2.50 0.00 0.00 55.73 55.03 3hk8 s ARG 170 Cb -0.08 -3.44 0.22 0.00 0.06 0.00 0.00 34.95 31.71 3hk8 s ARG 170 CO 0.17 0.03 1.11 1.28 -2.50 0.00 0.00 175.30 175.39 3hk8 n LEU 171 N 3.65 2.12 -0.25 -0.88 4.77 0.83 -4.43 117.00 122.81 3hk8 n LEU 171 Ca 0.04 -2.75 -0.00 0.00 -0.03 0.00 0.00 56.01 53.26 3hk8 n LEU 171 Cb 0.51 -0.33 0.06 0.00 -2.33 0.00 0.00 43.42 41.33 3hk8 n LEU 171 CO 0.51 0.64 0.68 0.44 -1.33 0.00 0.00 177.39 178.32 3hk8 h ASP 172 N 0.00 -0.88 -0.99 -1.43 5.19 -1.92 -1.41 116.42 114.97 3hk8 h ASP 172 Ca 0.00 0.23 0.05 0.00 -0.62 0.00 0.00 57.03 56.69 3hk8 h ASP 172 Cb 0.94 0.52 -0.06 0.00 0.18 0.00 0.00 39.33 40.91 3hk8 h ASP 172 CO 0.00 -0.27 0.65 -0.65 -3.12 0.00 0.00 179.24 175.85 3hk8 h PRO 173 N -0.05 1.18 -0.08 3.56 0.11 -1.95 0.23 132.00 135.01 3hk8 h PRO 173 Ca 0.33 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 66.34 3hk8 h PRO 173 Cb 0.56 -0.27 -0.00 0.00 0.11 0.00 0.00 31.00 31.40 3hk8 h PRO 173 CO -0.77 0.78 -0.03 1.25 -0.21 0.00 0.00 178.00 179.02 3hk8 h LEU 174 N 1.22 0.17 0.15 2.35 5.85 -1.60 -1.54 115.31 121.91 3hk8 h LEU 174 Ca 0.41 -0.39 -0.29 0.00 0.84 0.00 0.00 57.88 58.45 3hk8 h LEU 174 Cb 0.07 -0.05 0.01 0.00 0.37 0.00 0.00 40.66 41.06 3hk8 h LEU 174 CO -0.15 0.53 -1.29 -0.07 -0.34 0.00 0.00 178.44 177.13 3hk8 h LEU 175 N -0.19 0.49 -0.60 2.25 4.07 -1.22 -3.22 115.31 116.90 3hk8 h LEU 175 Ca 0.02 -0.53 0.00 0.00 0.08 0.00 0.00 57.88 57.45 3hk8 h LEU 175 Cb 0.46 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 42.04 3hk8 h LEU 175 CO 0.01 1.42 -0.54 0.59 -1.08 0.00 0.00 178.44 178.84 3hk8 n ASN 176 N -3.56 1.44 -2.40 -0.43 3.02 0.81 -3.78 115.26 110.35 3hk8 n ASN 176 Ca -0.10 -1.22 0.01 0.00 -0.03 0.00 0.00 54.58 53.24 3hk8 n ASN 176 Cb 1.04 0.66 0.04 0.00 -0.61 0.00 0.00 39.78 40.91 3hk8 n ASN 176 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3hk8 n GLU 177 N -0.55 1.17 -0.33 3.52 1.02 -0.58 -4.94 120.64 119.95 3hk8 n GLU 177 Ca 0.06 -2.97 0.08 0.00 -0.02 0.00 0.00 57.16 54.31 3hk8 n GLU 177 Cb 0.34 -1.05 0.25 0.00 -0.02 0.00 0.00 31.44 30.96 3hk8 n GLU 177 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 3hk8 h TYR 178 N 2.05 0.98 -0.82 -0.32 3.20 -1.55 0.16 116.97 120.67 3hk8 h TYR 178 Ca -0.18 0.03 0.16 0.00 3.14 0.00 0.00 58.73 61.88 3hk8 h TYR 178 Cb 1.47 -0.30 -0.06 0.00 1.54 0.00 0.00 36.73 39.38 3hk8 h TYR 178 CO 0.38 0.30 0.54 0.93 -1.64 0.00 0.00 178.16 178.68 3hk8 h GLU 179 N 0.80 0.47 0.08 1.82 4.39 -1.90 0.26 114.58 120.50 3hk8 h GLU 179 Ca 0.50 -0.03 -0.35 0.00 0.34 0.00 0.00 59.36 59.82 3hk8 h GLU 179 Cb 0.63 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.14 3hk8 h GLU 179 CO -0.32 0.31 -1.95 1.04 -1.16 0.00 0.00 179.01 176.93 3hk8 n GLN 180 N -4.51 0.70 0.10 2.33 3.00 -0.57 -4.37 117.38 114.07 3hk8 n GLN 180 Ca 0.16 0.31 0.04 0.00 -0.01 0.00 0.00 57.00 57.49 3hk8 n GLN 180 Cb 0.55 -1.68 0.44 0.00 0.00 0.00 0.00 30.24 29.54 3hk8 n GLN 180 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.06 178.21 3hk8 h THR 181 N -0.20 1.13 -0.99 5.09 2.02 -0.31 -2.91 112.91 116.74 3hk8 h THR 181 Ca -0.45 -0.47 0.13 0.00 0.77 0.00 0.00 66.41 66.39 3hk8 h THR 181 Cb 1.86 0.95 -0.09 0.00 -1.74 0.00 0.00 68.15 69.13 3hk8 h THR 181 CO -0.02 0.16 0.62 0.07 0.37 0.00 0.00 175.52 176.73 3hk8 h LYS 182 N 0.30 0.91 -0.34 6.66 2.10 -0.69 -0.25 116.57 125.26 3hk8 h LYS 182 Ca 0.07 -0.05 -0.05 0.00 -2.00 0.00 0.00 60.65 58.61 3hk8 h LYS 182 Cb 0.18 -0.21 -0.02 0.00 -0.90 0.00 0.00 32.23 31.29 3hk8 h LYS 182 CO 0.00 0.60 -0.02 0.45 -2.00 0.00 0.00 179.45 178.49 3hk8 h HIS 183 N 0.94 0.55 -0.17 0.07 3.86 -1.75 -1.39 115.15 117.27 3hk8 h HIS 183 Ca 0.50 -0.06 -0.18 0.00 -1.16 0.00 0.00 60.37 59.47 3hk8 h HIS 183 Cb 0.56 -0.16 -0.00 0.00 1.06 0.00 0.00 27.41 28.87 3hk8 h HIS 183 CO -0.00 0.55 -0.62 0.00 0.86 0.00 0.00 177.93 178.72 3hk8 h ARG 184 N 0.51 0.60 -0.54 2.45 3.08 -1.20 -2.28 114.38 117.00 3hk8 h ARG 184 Ca 0.11 -0.41 0.00 0.00 0.07 0.00 0.00 59.98 59.74 3hk8 h ARG 184 Cb 0.35 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.44 3hk8 h ARG 184 CO 0.01 1.03 0.34 -0.07 -1.07 0.00 0.00 179.97 180.22 3hk8 h LEU 185 N 0.44 0.64 -0.36 3.04 3.38 -0.65 -1.27 115.31 120.53 3hk8 h LEU 185 Ca -0.01 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3hk8 h LEU 185 Cb 1.19 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 3hk8 h LEU 185 CO 0.12 0.49 0.24 0.03 0.09 0.00 0.00 178.44 179.41 3hk8 h ARG 186 N 0.73 0.47 0.00 1.13 3.08 -1.14 -0.36 114.38 118.29 3hk8 h ARG 186 Ca 0.20 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.22 3hk8 h ARG 186 Cb -0.04 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 29.90 3hk8 h ARG 186 CO -0.04 0.31 -0.01 -0.44 -1.07 0.00 0.00 179.97 178.73 3hk8 h ASP 187 N 0.49 0.00 0.05 7.04 3.32 -0.92 0.06 116.42 126.46 3hk8 h ASP 187 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3hk8 h ASP 187 Cb -0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.49 3hk8 h ASP 187 CO -0.03 0.01 -0.07 0.79 -1.72 0.00 0.00 179.24 178.22 3hk8 n TRP 188 N -3.77 0.00 0.00 4.55 8.01 -0.42 -4.93 117.44 120.88 3hk8 n TRP 188 Ca -0.03 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.16 3hk8 n TRP 188 Cb 0.09 -0.03 0.00 0.00 -2.01 0.00 0.00 31.31 29.36 3hk8 n TRP 188 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3hk8 n GLY 189 N 1.23 0.49 3.51 6.99 0.00 0.01 -5.05 105.19 112.36 3hk8 n GLY 189 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 3hk8 n GLY 189 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hk8 s TYR 190 N -2.00 2.81 -0.95 1.61 2.02 -0.28 -4.95 117.35 115.61 3hk8 s TYR 190 Ca 0.00 -0.08 -0.14 0.00 -0.37 0.00 0.00 57.07 56.47 3hk8 s TYR 190 Cb 0.00 -4.04 -0.09 0.00 -0.40 0.00 0.00 41.96 37.43 3hk8 s TYR 190 CO 0.00 -1.34 2.09 1.63 -1.57 0.00 0.00 175.55 176.36 3hk8 n LYS 191 N 7.36 2.00 -2.78 -0.62 5.02 -1.26 -3.25 118.16 124.63 3hk8 n LYS 191 Ca 0.01 -1.81 -0.40 0.00 -2.02 0.00 0.00 58.31 54.09 3hk8 n LYS 191 Cb 0.47 -2.78 -0.06 0.00 -0.02 0.00 0.00 35.03 32.65 3hk8 n LYS 191 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3hk8 s VAL 192 N 4.04 4.19 0.72 -0.18 -7.23 -1.26 -4.53 120.40 116.15 3hk8 s VAL 192 Ca 0.50 2.02 -0.03 0.00 -1.81 0.00 0.00 61.98 62.67 3hk8 s VAL 192 Cb 0.13 -4.30 0.11 0.00 0.56 0.00 0.00 36.38 32.89 3hk8 s VAL 192 CO 0.03 0.48 1.00 0.20 -0.31 0.00 0.00 175.10 176.49 3hk8 s ASN 193 N -0.99 4.41 0.25 4.85 0.01 -1.26 -4.95 114.94 117.25 3hk8 s ASN 193 Ca 0.41 -0.15 0.04 0.00 -0.71 0.00 0.00 52.86 52.45 3hk8 s ASN 193 Cb -0.25 -0.30 0.28 0.00 0.41 0.00 0.00 41.25 41.39 3hk8 s ASN 193 CO 0.31 -1.81 1.59 0.44 -1.51 0.00 0.00 177.10 176.11 3hk8 h ASP 194 N -0.56 0.31 -2.96 -1.22 3.32 -2.03 -3.44 116.42 109.85 3hk8 h ASP 194 Ca -0.39 -0.16 -0.60 0.00 0.02 0.00 0.00 57.03 55.90 3hk8 h ASP 194 Cb 1.27 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 40.70 3hk8 h ASP 194 CO 0.44 0.80 -0.44 -1.61 -1.72 0.00 0.00 179.24 176.71 3hk8 s GLU 195 N -3.90 3.49 -0.95 3.56 0.41 -1.26 -5.03 118.70 115.03 3hk8 s GLU 195 Ca -0.05 -0.35 -0.22 0.00 -0.41 0.00 0.00 54.97 53.95 3hk8 s GLU 195 Cb 0.12 -2.97 0.07 0.00 -1.78 0.00 0.00 34.13 29.57 3hk8 s GLU 195 CO 0.80 0.55 1.32 -0.46 -0.49 0.00 0.00 175.26 176.98 3hk8 s TRP 196 N -1.58 2.66 0.35 1.61 -0.11 -1.26 -4.69 118.94 115.92 3hk8 s TRP 196 Ca 0.37 -0.89 0.01 0.00 1.22 0.00 0.00 56.10 56.81 3hk8 s TRP 196 Cb -0.13 -4.56 -0.01 0.00 -1.50 0.00 0.00 33.47 27.28 3hk8 s TRP 196 CO 0.27 -1.82 0.05 0.27 -4.62 0.00 0.00 176.95 171.10 3hk8 n ASN 197 N 8.27 2.15 -0.34 5.86 0.23 -1.26 -4.98 115.26 125.20 3hk8 n ASN 197 Ca 0.26 -2.68 0.17 0.00 -0.53 0.00 0.00 54.58 51.80 3hk8 n ASN 197 Cb 0.50 0.52 0.37 0.00 -2.08 0.00 0.00 39.78 39.09 3hk8 n ASN 197 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 3hk8 h GLU 198 N 0.00 0.55 -0.08 -3.83 4.57 -1.99 -0.21 114.58 113.59 3hk8 h GLU 198 Ca -0.28 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 57.86 3hk8 h GLU 198 Cb 0.95 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 29.41 3hk8 h GLU 198 CO 0.46 0.37 0.02 0.78 -1.18 0.00 0.00 179.01 179.46 3hk8 h GLY 199 N 0.57 0.13 1.01 1.92 0.00 -1.94 -1.04 103.07 103.72 3hk8 h GLY 199 Ca 0.63 -0.07 -0.02 0.00 0.00 0.00 0.00 47.33 47.87 3hk8 h GLY 199 CO -0.48 0.07 0.37 1.76 0.00 0.00 0.00 176.54 178.27 3hk8 h SER 200 N -0.06 0.89 0.07 0.19 0.02 -1.49 -1.78 113.55 111.39 3hk8 h SER 200 Ca 0.02 -0.11 0.01 0.00 -0.84 0.00 0.00 61.79 60.87 3hk8 h SER 200 Cb 0.21 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 3hk8 h SER 200 CO -0.00 0.75 -0.09 0.40 -1.14 0.00 0.00 176.83 176.74 3hk8 h ILE 201 N 0.97 0.78 -0.58 3.27 2.04 -0.95 -1.66 117.51 121.38 3hk8 h ILE 201 Ca 0.25 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.06 3hk8 h ILE 201 Cb 0.06 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 3hk8 h ILE 201 CO -0.04 0.00 0.18 1.56 0.00 0.00 0.00 178.15 179.85 3hk8 h GLN 202 N -0.20 0.88 -0.04 2.37 1.08 -1.03 -1.99 115.11 116.19 3hk8 h GLN 202 Ca 0.01 -0.17 -0.13 0.00 -1.45 0.00 0.00 58.65 56.91 3hk8 h GLN 202 Cb 0.20 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.48 3hk8 h GLN 202 CO -0.05 0.76 -0.59 0.93 -0.95 0.00 0.00 178.83 178.94 3hk8 h GLU 203 N 0.85 0.13 -0.26 1.46 4.39 -1.13 -0.41 114.58 119.62 3hk8 h GLU 203 Ca 0.19 -0.09 -0.17 0.00 0.34 0.00 0.00 59.36 59.63 3hk8 h GLU 203 Cb 0.25 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.91 3hk8 h GLU 203 CO -0.01 0.68 -0.53 0.28 -1.16 0.00 0.00 179.01 178.27 3hk8 h VAL 204 N 0.10 1.29 -0.58 3.13 2.07 -1.06 -1.40 116.25 119.80 3hk8 h VAL 204 Ca -0.00 -1.74 -0.03 0.00 0.82 0.00 0.00 66.70 65.74 3hk8 h VAL 204 Cb 1.06 1.66 -0.03 0.00 -1.52 0.00 0.00 31.29 32.47 3hk8 h VAL 204 CO 0.08 0.56 0.23 0.11 0.02 0.00 0.00 177.57 178.58 3hk8 h LYS 205 N 0.58 0.86 -0.52 1.57 1.57 -1.14 -1.49 116.57 118.00 3hk8 h LYS 205 Ca 0.02 -0.16 0.04 0.00 -1.87 0.00 0.00 60.65 58.68 3hk8 h LYS 205 Cb 1.12 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 33.24 3hk8 h LYS 205 CO 0.11 0.74 0.27 0.00 -0.57 0.00 0.00 179.45 180.00 3hk8 h ARG 206 N 0.80 0.51 -0.44 3.15 3.08 -0.89 0.21 114.38 120.80 3hk8 h ARG 206 Ca 0.19 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.23 3hk8 h ARG 206 Cb 0.20 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 3hk8 h ARG 206 CO -0.02 0.34 0.27 0.35 -1.07 0.00 0.00 179.97 179.84 3hk8 h PHE 207 N 0.52 0.51 -0.16 3.04 3.57 -0.86 0.15 116.94 123.71 3hk8 h PHE 207 Ca 0.23 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.72 3hk8 h PHE 207 Cb 0.13 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 3hk8 h PHE 207 CO -0.10 0.30 0.03 -0.07 -2.23 0.00 0.00 178.31 176.24 3hk8 h LEU 208 N 0.54 0.24 -0.79 0.59 3.38 -0.69 -2.65 115.31 115.95 3hk8 h LEU 208 Ca 0.17 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.89 3hk8 h LEU 208 Cb -0.02 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 3hk8 h LEU 208 CO -0.06 0.44 0.51 0.74 0.09 0.00 0.00 178.44 180.16 3hk8 h THR 209 N 0.04 1.20 -0.48 0.22 2.02 -0.38 0.30 112.91 115.84 3hk8 h THR 209 Ca 0.05 -0.38 0.01 0.00 0.77 0.00 0.00 66.41 66.85 3hk8 h THR 209 Cb 0.29 0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 66.73 3hk8 h THR 209 CO 0.00 0.20 0.31 0.44 0.37 0.00 0.00 175.52 176.84 3hk8 h ASP 210 N 1.07 0.52 0.73 4.18 3.32 -0.63 -0.47 116.42 125.14 3hk8 h ASP 210 Ca 0.29 -0.01 -0.12 0.00 0.02 0.00 0.00 57.03 57.21 3hk8 h ASP 210 Cb -0.11 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 3hk8 h ASP 210 CO -0.06 0.38 -0.56 -0.50 -1.72 0.00 0.00 179.24 176.78 3hk8 h TRP 211 N 0.62 0.00 -0.42 4.55 4.06 -1.09 -1.06 115.95 122.61 3hk8 h TRP 211 Ca 0.18 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 61.06 3hk8 h TRP 211 Cb -0.05 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.09 3hk8 h TRP 211 CO -0.05 0.56 -0.01 0.82 -3.56 0.00 0.00 178.44 176.20 3hk8 h ILE 212 N 0.00 1.26 -0.69 1.49 2.04 -0.54 0.16 117.51 121.24 3hk8 h ILE 212 Ca -0.01 -1.05 -0.07 0.00 1.00 0.00 0.00 64.86 64.74 3hk8 h ILE 212 Cb 1.08 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 38.24 3hk8 h ILE 212 CO 0.07 0.36 0.17 -0.08 0.00 0.00 0.00 178.15 178.67 3hk8 h GLU 213 N 0.58 1.09 -0.05 2.37 4.81 -0.86 0.46 114.58 122.99 3hk8 h GLU 213 Ca 0.12 -0.25 -0.25 0.00 -0.13 0.00 0.00 59.36 58.84 3hk8 h GLU 213 Cb 0.51 -0.15 0.02 0.00 0.63 0.00 0.00 28.75 29.76 3hk8 h GLU 213 CO 0.02 0.96 -0.96 -0.09 -0.73 0.00 0.00 179.01 178.21 3hk8 h ARG 214 N 1.04 0.73 0.00 1.92 2.43 -0.97 -3.37 114.38 116.16 3hk8 h ARG 214 Ca 0.22 -0.72 -0.31 0.00 -0.81 0.00 0.00 59.98 58.36 3hk8 h ARG 214 Cb 0.36 0.19 -0.06 0.00 -0.42 0.00 0.00 29.97 30.05 3hk8 h ARG 214 CO 0.00 1.31 -1.99 -1.33 -1.51 0.00 0.00 179.97 176.45 3hk8 n MET 215 N -3.88 0.66 -3.57 0.20 2.81 0.55 -5.01 117.12 108.88 3hk8 n MET 215 Ca -0.10 0.15 -0.25 0.00 -1.81 0.00 0.00 57.70 55.69 3hk8 n MET 215 Cb 0.84 -1.67 0.05 0.00 -0.71 0.00 0.00 33.22 31.73 3hk8 n MET 215 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3hk8 n ASP 216 N -2.88 -4.79 -4.78 7.83 2.03 0.16 -4.63 116.55 109.48 3hk8 n ASP 216 Ca -0.23 -0.90 -0.35 0.00 0.52 0.00 0.00 54.79 53.84 3hk8 n ASP 216 Cb 1.07 -4.00 -0.01 0.00 -0.72 0.00 0.00 41.12 37.46 3hk8 n ASP 216 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3hk8 s PRO 217 N -5.56 3.51 0.40 -0.67 0.04 -1.26 -4.61 135.00 126.85 3hk8 s PRO 217 Ca 0.37 1.53 0.25 0.00 0.04 0.00 0.00 61.00 63.19 3hk8 s PRO 217 Cb -0.10 -2.04 0.53 0.00 0.04 0.00 0.00 34.50 32.93 3hk8 s PRO 217 CO 0.82 -0.71 1.68 -0.39 0.04 0.00 0.00 177.00 178.44 3hk8 h VAL 218 N 1.33 0.00 -1.87 -0.36 -1.51 -1.41 -3.47 116.25 108.96 3hk8 h VAL 218 Ca -0.50 -0.84 0.21 0.00 -1.23 0.00 0.00 66.70 64.34 3hk8 h VAL 218 Cb 1.25 1.83 -0.15 0.00 -2.13 0.00 0.00 31.29 32.09 3hk8 h VAL 218 CO 0.58 0.00 0.66 -0.72 -1.23 0.00 0.00 177.57 176.86 3hk8 s TYR 219 N -3.23 -0.19 -0.07 5.19 -0.85 -1.26 -4.23 117.35 112.72 3hk8 s TYR 219 Ca 0.07 0.06 -0.02 0.00 -0.52 0.00 0.00 57.07 56.66 3hk8 s TYR 219 Cb 0.07 0.55 -0.04 0.00 0.38 0.00 0.00 41.96 42.92 3hk8 s TYR 219 CO 0.64 -0.42 0.05 -1.64 -1.52 0.00 0.00 175.55 172.66 3hk8 s MET 220 N -2.78 3.08 0.11 -3.49 -1.94 -0.83 -1.85 119.30 111.60 3hk8 s MET 220 Ca 0.09 -0.39 0.01 0.00 -1.71 0.00 0.00 55.69 53.70 3hk8 s MET 220 Cb -0.00 -2.88 -0.04 0.00 2.01 0.00 0.00 34.83 33.92 3hk8 s MET 220 CO -0.05 0.70 -0.04 0.00 -0.01 0.00 0.00 175.02 175.62 3hk8 s ALA 221 N -1.01 0.99 -0.16 3.03 0.00 0.25 -0.28 121.76 124.59 3hk8 s ALA 221 Ca 0.17 -1.39 -0.26 0.00 0.00 0.00 0.00 51.96 50.47 3hk8 s ALA 221 Cb -0.12 0.29 0.07 0.00 0.00 0.00 0.00 23.12 23.36 3hk8 s ALA 221 CO 0.06 -0.28 0.66 0.54 0.00 0.00 0.00 175.76 176.74 3hk8 s VAL 222 N -3.69 0.00 -0.13 0.00 0.11 -0.76 -0.12 120.40 115.81 3hk8 s VAL 222 Ca 0.14 -0.02 -0.07 0.00 -2.93 0.00 0.00 61.98 59.10 3hk8 s VAL 222 Cb 0.06 -0.95 -0.04 0.00 -1.53 0.00 0.00 36.38 33.91 3hk8 s VAL 222 CO -0.03 -0.01 0.12 -0.94 -3.33 0.00 0.00 175.10 170.91 3hk8 s SER 223 N -0.35 6.23 0.15 3.54 1.04 -1.26 -1.40 113.70 121.65 3hk8 s SER 223 Ca -0.05 0.39 0.09 0.00 0.48 0.00 0.00 55.95 56.85 3hk8 s SER 223 Cb -0.03 -2.01 -0.04 0.00 0.10 0.00 0.00 66.02 64.04 3hk8 s SER 223 CO 0.05 0.36 -0.20 -0.76 0.98 0.00 0.00 173.24 173.67 3hk8 s LEU 224 N -0.74 2.39 0.79 2.42 1.43 0.17 -4.92 118.68 120.22 3hk8 s LEU 224 Ca 0.13 -0.81 -0.11 0.00 -1.03 0.00 0.00 54.13 52.31 3hk8 s LEU 224 Cb -0.12 -0.89 0.06 0.00 0.03 0.00 0.00 46.19 45.27 3hk8 s LEU 224 CO 0.03 0.02 1.10 -2.16 0.23 0.00 0.00 176.35 175.56 3hk8 s PRO 225 N -2.50 2.17 0.57 1.29 0.04 -1.25 -0.40 135.00 134.92 3hk8 s PRO 225 Ca 0.13 0.62 0.25 0.00 0.04 0.00 0.00 61.00 62.05 3hk8 s PRO 225 Cb -0.07 -1.93 1.63 0.00 0.04 0.00 0.00 34.50 34.17 3hk8 s PRO 225 CO 0.06 -1.56 2.21 -1.35 0.04 0.00 0.00 177.00 176.41 3hk8 h PRO 226 N -1.04 0.00 -0.21 0.56 0.11 -1.77 -1.19 132.00 128.46 3hk8 h PRO 226 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3hk8 h PRO 226 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3hk8 h PRO 226 CO 0.60 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.64 3hk8 n THR 227 N -4.08 0.26 -1.64 -1.15 -2.24 -1.26 -3.93 114.28 100.24 3hk8 n THR 227 Ca -0.03 -0.25 -0.47 0.00 -2.27 0.00 0.00 64.05 61.04 3hk8 n THR 227 Cb 0.11 0.11 -0.04 0.00 -2.10 0.00 0.00 70.33 68.41 3hk8 n THR 227 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 3hk8 n PHE 228 N 0.05 1.96 -3.95 4.78 7.35 -0.45 -4.99 117.46 122.21 3hk8 n PHE 228 Ca 0.06 0.46 -0.09 0.00 -0.76 0.00 0.00 57.45 57.11 3hk8 n PHE 228 Cb 0.17 -2.43 -0.10 0.00 0.35 0.00 0.00 39.48 37.46 3hk8 n PHE 228 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 3hk8 s SER 229 N 0.44 0.19 -0.28 -2.13 0.15 -1.26 -4.65 113.70 106.15 3hk8 s SER 229 Ca 0.74 -0.46 -0.21 0.00 0.70 0.00 0.00 55.95 56.72 3hk8 s SER 229 Cb -0.73 0.15 0.12 0.00 -1.71 0.00 0.00 66.02 63.85 3hk8 s SER 229 CO 0.46 -0.37 0.93 0.12 1.20 0.00 0.00 173.24 175.58 3hk8 s PHE 230 N -1.78 -0.63 0.93 3.44 2.19 -1.26 -4.49 117.98 116.39 3hk8 s PHE 230 Ca -0.13 1.39 -0.11 0.00 0.33 0.00 0.00 56.93 58.41 3hk8 s PHE 230 Cb -0.07 0.39 0.15 0.00 -1.31 0.00 0.00 43.02 42.18 3hk8 s PHE 230 CO -0.01 -0.31 1.09 -1.25 1.83 0.00 0.00 175.22 176.57 3hk8 s PRO 231 N 0.80 0.94 -0.28 10.12 0.04 -1.26 -4.13 135.00 141.24 3hk8 s PRO 231 Ca -0.03 0.99 -0.18 0.00 0.04 0.00 0.00 61.00 61.81 3hk8 s PRO 231 Cb -0.05 -1.76 0.08 0.00 0.04 0.00 0.00 34.50 32.81 3hk8 s PRO 231 CO -0.10 -2.50 0.70 -2.00 0.04 0.00 0.00 177.00 173.13 3hk8 s GLU 232 N -4.80 0.74 -1.43 4.56 2.12 -1.26 -5.06 118.70 113.57 3hk8 s GLU 232 Ca 0.65 1.17 -0.12 0.00 0.36 0.00 0.00 54.97 57.02 3hk8 s GLU 232 Cb -0.20 0.21 0.06 0.00 0.26 0.00 0.00 34.13 34.46 3hk8 s GLU 232 CO 0.58 -0.14 2.23 0.39 -0.54 0.00 0.00 175.26 177.79 3hk8 n GLU 233 N 3.89 3.23 -4.31 4.30 -0.58 -1.26 -3.71 120.64 122.20 3hk8 n GLU 233 Ca -0.18 -2.83 -0.18 0.00 -0.42 0.00 0.00 57.16 53.54 3hk8 n GLU 233 Cb 0.58 -3.11 -0.09 0.00 -0.57 0.00 0.00 31.44 28.25 3hk8 n GLU 233 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3hk8 s SER 234 N 2.34 1.40 0.11 1.62 1.04 -1.26 -5.00 113.70 113.95 3hk8 s SER 234 Ca 0.48 -1.56 -0.21 0.00 0.48 0.00 0.00 55.95 55.14 3hk8 s SER 234 Cb 0.14 0.40 -0.09 0.00 0.10 0.00 0.00 66.02 66.57 3hk8 s SER 234 CO -0.06 -0.90 1.74 0.78 0.98 0.00 0.00 173.24 175.78 3hk8 h ASN 235 N 2.25 0.18 -0.12 7.02 -0.26 -1.91 -0.25 115.58 122.49 3hk8 h ASN 235 Ca -0.33 -0.03 0.01 0.00 -0.56 0.00 0.00 56.30 55.39 3hk8 h ASN 235 Cb 1.25 -0.05 -0.01 0.00 -1.06 0.00 0.00 38.32 38.45 3hk8 h ASN 235 CO 0.50 0.16 0.03 -0.09 -1.06 0.00 0.00 177.43 176.97 3hk8 h ARG 236 N 0.19 0.08 -0.74 0.81 2.43 -1.91 0.10 114.38 115.33 3hk8 h ARG 236 Ca 0.06 -0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.24 3hk8 h ARG 236 Cb 0.01 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.50 3hk8 h ARG 236 CO -0.01 0.05 0.48 0.78 -1.51 0.00 0.00 179.97 179.76 3hk8 h GLY 237 N 0.08 1.06 1.01 2.80 0.00 -1.65 -1.06 103.07 105.31 3hk8 h GLY 237 Ca 0.05 -0.37 -0.15 0.00 0.00 0.00 0.00 47.33 46.86 3hk8 h GLY 237 CO -0.07 0.34 -0.44 3.21 0.00 0.00 0.00 176.54 179.59 3hk8 h ARG 238 N 0.96 0.72 -0.54 4.80 3.08 -0.78 -2.04 114.38 120.58 3hk8 h ARG 238 Ca 0.29 -0.45 -0.04 0.00 0.07 0.00 0.00 59.98 59.84 3hk8 h ARG 238 Cb -0.05 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 3hk8 h ARG 238 CO -0.09 1.07 0.18 0.82 -1.07 0.00 0.00 179.97 180.89 3hk8 h ILE 239 N 0.44 1.23 -0.13 2.04 2.04 -0.61 0.14 117.51 122.66 3hk8 h ILE 239 Ca 0.01 -0.76 -0.01 0.00 1.00 0.00 0.00 64.86 65.11 3hk8 h ILE 239 Cb 1.04 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 3hk8 h ILE 239 CO 0.10 0.28 0.06 0.40 0.00 0.00 0.00 178.15 178.99 3hk8 h ILE 240 N 0.74 1.14 -0.10 -0.67 2.04 -1.22 0.55 117.51 119.99 3hk8 h ILE 240 Ca 0.18 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.59 3hk8 h ILE 240 Cb 0.25 1.18 -0.00 0.00 -0.74 0.00 0.00 36.82 37.51 3hk8 h ILE 240 CO -0.01 0.13 -0.02 -0.09 0.00 0.00 0.00 178.15 178.16 3hk8 h ARG 241 N 0.06 0.19 0.00 2.37 2.43 -1.25 -1.43 114.38 116.76 3hk8 h ARG 241 Ca 0.04 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3hk8 h ARG 241 Cb 0.16 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 3hk8 h ARG 241 CO -0.00 0.49 -0.91 -0.44 -1.51 0.00 0.00 179.97 177.59 3hk8 h ASP 242 N -0.12 0.00 0.00 -3.80 3.32 -0.77 -3.41 116.42 111.64 3hk8 h ASP 242 Ca 0.03 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hk8 h ASP 242 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 3hk8 h ASP 242 CO 0.01 0.01 -0.04 0.00 -1.72 0.00 0.00 179.24 177.50 3hk8 h LEU 244 N 0.00 -1.34 -0.10 0.00 7.12 -1.23 -1.99 115.31 117.77 3hk8 h LEU 244 Ca 0.00 0.10 0.03 0.00 0.13 0.00 0.00 57.88 58.14 3hk8 h LEU 244 Cb 0.04 0.43 -0.03 0.00 -0.53 0.00 0.00 40.66 40.56 3hk8 h LEU 244 CO 0.00 -0.70 -0.09 -0.07 -0.13 0.00 0.00 178.44 177.45 3hk8 h LEU 245 N -1.07 -0.28 -0.77 2.25 3.38 -1.51 0.97 115.31 118.26 3hk8 h LEU 245 Ca -0.08 0.06 0.04 0.00 0.09 0.00 0.00 57.88 57.99 3hk8 h LEU 245 Cb 0.90 0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.75 3hk8 h LEU 245 CO -0.01 -0.12 0.48 -0.65 0.09 0.00 0.00 178.44 178.23 3hk8 h PRO 246 N -0.11 0.90 -0.46 1.13 0.11 -1.79 -1.02 132.00 130.77 3hk8 h PRO 246 Ca 0.07 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 66.00 3hk8 h PRO 246 Cb 0.21 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.11 3hk8 h PRO 246 CO -0.17 0.59 -0.23 0.28 -0.21 0.00 0.00 178.00 178.27 3hk8 h VAL 247 N 0.92 1.27 -0.26 3.15 2.07 -1.06 -2.32 116.25 120.02 3hk8 h VAL 247 Ca 0.32 -1.38 -0.08 0.00 0.82 0.00 0.00 66.70 66.37 3hk8 h VAL 247 Cb 0.06 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 3hk8 h VAL 247 CO -0.13 0.47 -0.19 0.00 0.02 0.00 0.00 177.57 177.75 3hk8 h ALA 248 N 0.92 1.19 -0.17 1.67 0.00 -0.39 -2.51 119.26 119.97 3hk8 h ALA 248 Ca 0.10 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 3hk8 h ALA 248 Cb 0.79 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 3hk8 h ALA 248 CO 0.07 0.52 -0.22 1.49 0.00 0.00 0.00 179.25 181.11 3hk8 h GLU 249 N 0.43 0.44 -0.43 0.00 4.81 -1.10 0.55 114.58 119.28 3hk8 h GLU 249 Ca 0.07 -0.25 0.04 0.00 -0.13 0.00 0.00 59.36 59.09 3hk8 h GLU 249 Cb 0.57 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.92 3hk8 h GLU 249 CO 0.04 0.83 0.19 -0.22 -0.73 0.00 0.00 179.01 179.12 3hk8 h LYS 250 N 0.08 0.37 -0.20 1.92 3.64 -1.27 -1.61 116.57 119.50 3hk8 h LYS 250 Ca 0.02 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3hk8 h LYS 250 Cb 0.77 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 3hk8 h LYS 250 CO 0.05 0.24 0.00 0.72 -2.27 0.00 0.00 179.45 178.19 3hk8 n HIS 251 N -4.96 0.26 -3.81 1.91 8.25 -0.96 -4.94 115.22 110.97 3hk8 n HIS 251 Ca 0.03 -0.13 -0.25 0.00 -0.26 0.00 0.00 57.72 57.11 3hk8 n HIS 251 Cb 0.14 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.27 3hk8 n HIS 251 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3hk8 n ASN 252 N 0.55 -2.19 -4.60 0.41 4.05 -0.10 -4.97 115.26 108.41 3hk8 n ASN 252 Ca 0.17 -0.84 -0.34 0.00 0.45 0.00 0.00 54.58 54.02 3hk8 n ASN 252 Cb 0.38 -3.84 -0.10 0.00 1.23 0.00 0.00 39.78 37.44 3hk8 n ASN 252 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 3hk8 s ILE 253 N -3.59 4.40 0.62 -1.44 -1.09 0.17 -4.90 121.20 115.38 3hk8 s ILE 253 Ca 0.22 -0.18 -0.16 0.00 -2.23 0.00 0.00 60.65 58.30 3hk8 s ILE 253 Cb -0.11 -2.94 -0.02 0.00 -1.58 0.00 0.00 42.46 37.81 3hk8 s ILE 253 CO 0.83 0.50 1.10 -2.84 -1.23 0.00 0.00 174.94 173.30 3hk8 s PRO 254 N 0.15 3.00 -0.26 2.79 0.02 -1.26 -4.58 135.00 134.86 3hk8 s PRO 254 Ca 0.02 1.40 -0.05 0.00 0.02 0.00 0.00 61.00 62.38 3hk8 s PRO 254 Cb -0.13 -1.98 -0.00 0.00 0.02 0.00 0.00 34.50 32.41 3hk8 s PRO 254 CO 0.02 -1.09 0.02 0.12 -0.33 0.00 0.00 177.00 175.74 3hk8 s PHE 255 N -2.25 3.06 -0.22 6.54 5.36 -0.07 -1.96 117.98 128.44 3hk8 s PHE 255 Ca 0.67 -0.89 -0.10 0.00 -0.96 0.00 0.00 56.93 55.65 3hk8 s PHE 255 Cb -0.20 -2.18 -0.05 0.00 -0.34 0.00 0.00 43.02 40.24 3hk8 s PHE 255 CO 0.38 -0.53 0.15 0.00 -1.46 0.00 0.00 175.22 173.75 3hk8 s ALA 256 N 1.50 3.65 -0.19 11.12 0.00 0.62 -0.87 121.76 137.59 3hk8 s ALA 256 Ca 0.04 -0.78 0.01 0.00 0.00 0.00 0.00 51.96 51.23 3hk8 s ALA 256 Cb -0.16 -2.25 0.03 0.00 0.00 0.00 0.00 23.12 20.75 3hk8 s ALA 256 CO 0.00 -0.01 -0.15 -1.64 0.00 0.00 0.00 175.76 173.96 3hk8 s MET 257 N 0.69 2.51 -0.44 0.00 -1.94 0.29 -1.83 119.30 118.58 3hk8 s MET 257 Ca 0.08 -0.87 -0.12 0.00 -1.71 0.00 0.00 55.69 53.07 3hk8 s MET 257 Cb -0.12 -2.50 0.08 0.00 2.01 0.00 0.00 34.83 34.30 3hk8 s MET 257 CO 0.01 -0.32 0.32 -1.64 -0.01 0.00 0.00 175.02 173.38 3hk8 s MET 258 N 1.32 2.76 -0.07 2.03 -1.94 -0.49 -2.51 119.30 120.41 3hk8 s MET 258 Ca 0.01 -1.42 -0.02 0.00 -1.71 0.00 0.00 55.69 52.55 3hk8 s MET 258 Cb -0.15 -3.94 -0.03 0.00 2.01 0.00 0.00 34.83 32.72 3hk8 s MET 258 CO -0.10 -0.99 0.03 0.42 -0.01 0.00 0.00 175.02 174.36 3hk8 s ILE 259 N 1.52 4.49 0.00 2.53 1.01 -0.64 0.46 121.20 130.56 3hk8 s ILE 259 Ca 0.03 -0.26 0.00 0.00 0.00 0.00 0.00 60.65 60.43 3hk8 s ILE 259 Cb -0.24 -2.93 0.00 0.00 0.01 0.00 0.00 42.46 39.30 3hk8 s ILE 259 CO 0.04 0.55 0.00 0.61 0.00 0.00 0.00 174.94 176.14 3hk8 n GLY 260 N 1.90 1.09 3.69 6.18 0.00 0.47 -0.23 105.19 118.29 3hk8 n GLY 260 Ca -0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 3hk8 n GLY 260 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hk8 s VAL 261 N -2.00 5.12 -0.45 1.61 0.11 -0.84 -1.51 120.40 122.45 3hk8 s VAL 261 Ca 0.00 1.00 -0.12 0.00 -2.93 0.00 0.00 61.98 59.93 3hk8 s VAL 261 Cb 0.00 -3.85 0.08 0.00 -1.53 0.00 0.00 36.38 31.07 3hk8 s VAL 261 CO 0.00 0.22 0.33 -0.75 -3.33 0.00 0.00 175.10 171.57 3hk8 s LYS 262 N 1.27 2.78 0.39 1.54 2.20 -0.32 -3.87 119.74 123.73 3hk8 s LYS 262 Ca 0.26 -1.42 -0.26 0.00 -0.36 0.00 0.00 55.97 54.19 3hk8 s LYS 262 Cb -0.15 -3.95 -0.09 0.00 -1.51 0.00 0.00 37.83 32.13 3hk8 s LYS 262 CO 0.10 -1.00 1.23 0.15 -0.36 0.00 0.00 175.35 175.48 3hk8 s LYS 263 N 1.52 4.07 -1.36 4.03 -0.14 -1.26 -0.64 119.74 125.96 3hk8 s LYS 263 Ca 0.03 2.00 -0.05 0.00 -1.36 0.00 0.00 55.97 56.59 3hk8 s LYS 263 Cb -0.24 -2.76 0.00 0.00 -1.68 0.00 0.00 37.83 33.15 3hk8 s LYS 263 CO 0.04 -0.36 0.46 0.54 -0.76 0.00 0.00 175.35 175.28 3hk8 n ARG 264 N 0.20 -2.62 0.24 1.68 1.74 -1.23 -4.88 116.66 111.80 3hk8 n ARG 264 Ca 0.03 0.37 0.14 0.00 -0.77 0.00 0.00 57.85 57.63 3hk8 n ARG 264 Cb 0.45 -4.28 0.41 0.00 -1.02 0.00 0.00 32.46 28.02 3hk8 n ARG 264 CO 0.00 0.00 0.00 -0.39 -1.52 0.00 0.00 177.63 175.72 3hk8 h VAL 265 N -1.89 0.04 -2.37 1.55 -1.51 -1.08 -3.32 116.25 107.66 3hk8 h VAL 265 Ca -0.64 -0.81 -0.59 0.00 -1.23 0.00 0.00 66.70 63.43 3hk8 h VAL 265 Cb 1.38 1.78 -0.39 0.00 -2.13 0.00 0.00 31.29 31.93 3hk8 h VAL 265 CO 0.60 0.02 -0.95 1.57 -1.23 0.00 0.00 177.57 177.58 3hk8 n HIS 266 N -3.11 -0.32 -0.30 5.19 -0.00 -0.99 -5.02 115.22 110.67 3hk8 n HIS 266 Ca 0.02 -3.47 0.13 0.00 -0.00 0.00 0.00 57.72 54.41 3hk8 n HIS 266 Cb 0.43 0.06 0.29 0.00 -0.00 0.00 0.00 29.99 30.77 3hk8 n HIS 266 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3hk8 h PRO 267 N 5.31 0.21 0.00 1.57 0.11 -1.83 -1.28 132.00 136.09 3hk8 h PRO 267 Ca 0.22 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.32 3hk8 h PRO 267 Cb 0.88 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.95 3hk8 h PRO 267 CO 0.43 0.14 0.08 0.00 -0.21 0.00 0.00 178.00 178.44 3hk8 h ALA 268 N 1.78 1.08 -0.00 -0.75 0.00 -1.95 -0.38 119.26 119.04 3hk8 h ALA 268 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.46 3hk8 h ALA 268 Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3hk8 h ALA 268 CO -0.65 -0.08 -0.16 1.28 0.00 0.00 0.00 179.25 179.63 3hk8 n LEU 269 N -3.02 0.33 0.00 0.00 4.77 -0.48 -4.96 117.00 113.63 3hk8 n LEU 269 Ca -0.03 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 3hk8 n LEU 269 Cb 0.15 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 3hk8 n LEU 269 CO 0.18 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 3hk8 n GLY 270 N 1.39 2.75 0.34 -0.72 0.00 -0.15 -2.22 105.19 106.58 3hk8 n GLY 270 Ca 0.10 -0.28 0.21 0.00 0.00 0.00 0.00 46.02 46.05 3hk8 n GLY 270 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3hk8 h ASP 271 N 1.30 0.00 -0.41 1.61 3.32 -1.94 0.32 116.42 120.61 3hk8 h ASP 271 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hk8 h ASP 271 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3hk8 h ASP 271 CO 0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 3hk8 n ALA 272 N -2.08 2.64 -0.55 3.45 0.00 -0.94 -4.26 120.51 118.77 3hk8 n ALA 272 Ca -0.03 -0.85 0.10 0.00 0.00 0.00 0.00 53.44 52.66 3hk8 n ALA 272 Cb 0.14 -0.99 0.33 0.00 0.00 0.00 0.00 19.45 18.93 3hk8 n ALA 272 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hk8 n GLY 273 N 0.99 2.77 3.86 0.00 0.00 0.10 -4.88 105.19 108.03 3hk8 n GLY 273 Ca 0.15 -0.81 -0.35 0.00 0.00 0.00 0.00 46.02 45.01 3hk8 n GLY 273 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hk8 s ASP 274 N -0.99 6.72 0.20 1.61 1.01 -1.26 -0.67 116.67 123.29 3hk8 s ASP 274 Ca 0.48 0.92 0.01 0.00 0.71 0.00 0.00 52.55 54.67 3hk8 s ASP 274 Cb 0.30 -2.23 0.01 0.00 1.01 0.00 0.00 42.92 42.01 3hk8 s ASP 274 CO 0.25 0.12 0.09 0.33 0.21 0.00 0.00 175.17 176.17 3hk8 n PHE 275 N 0.79 -0.42 -4.18 4.23 7.35 0.19 -4.92 117.46 120.49 3hk8 n PHE 275 Ca -0.06 -0.93 -0.13 0.00 -0.76 0.00 0.00 57.45 55.57 3hk8 n PHE 275 Cb 0.52 -0.15 -0.10 0.00 0.35 0.00 0.00 39.48 40.09 3hk8 n PHE 275 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 3hk8 s VAL 276 N -1.35 0.89 -0.03 -2.13 0.11 -1.26 -1.18 120.40 115.45 3hk8 s VAL 276 Ca 0.06 -1.78 -0.22 0.00 -2.93 0.00 0.00 61.98 57.12 3hk8 s VAL 276 Cb -0.01 -1.51 0.04 0.00 -1.53 0.00 0.00 36.38 33.38 3hk8 s VAL 276 CO 0.04 -0.68 0.47 -0.83 -3.33 0.00 0.00 175.10 170.78 3hk8 s GLY 277 N -2.71 -0.34 0.17 6.54 0.00 -0.57 -4.84 107.32 105.57 3hk8 s GLY 277 Ca 0.09 0.78 -0.30 0.00 0.00 0.00 0.00 44.72 45.28 3hk8 s GLY 277 CO -0.01 0.50 1.11 1.25 0.00 0.00 0.00 173.10 175.95 3hk8 s LYS 278 N -1.23 4.58 0.32 2.90 2.20 -1.26 -4.43 119.74 122.82 3hk8 s LYS 278 Ca -0.12 1.72 0.07 0.00 -0.36 0.00 0.00 55.97 57.28 3hk8 s LYS 278 Cb -0.03 -3.28 -0.03 0.00 -1.51 0.00 0.00 37.83 32.98 3hk8 s LYS 278 CO 0.07 0.05 0.27 0.00 -0.36 0.00 0.00 175.35 175.38 3hk8 s ALA 279 N -0.13 3.79 0.31 3.13 0.00 -1.26 -4.76 121.76 122.85 3hk8 s ALA 279 Ca 0.50 -1.60 -0.19 0.00 0.00 0.00 0.00 51.96 50.67 3hk8 s ALA 279 Cb -0.29 -1.20 -0.09 0.00 0.00 0.00 0.00 23.12 21.53 3hk8 s ALA 279 CO 0.34 0.06 0.81 0.45 0.00 0.00 0.00 175.76 177.42 3hk8 s SER 280 N -3.97 6.97 0.00 0.00 0.15 -1.25 -4.97 113.70 110.63 3hk8 s SER 280 Ca 0.39 1.48 0.26 0.00 0.70 0.00 0.00 55.95 58.78 3hk8 s SER 280 Cb -0.06 -2.45 0.67 0.00 -1.71 0.00 0.00 66.02 62.47 3hk8 s SER 280 CO 0.26 -0.15 1.51 0.23 1.20 0.00 0.00 173.24 176.30 3hk8 n MET 281 N 0.03 0.44 -0.17 5.44 2.81 -1.26 -4.41 117.12 120.00 3hk8 n MET 281 Ca 0.02 -0.25 -0.02 0.00 -1.81 0.00 0.00 57.70 55.64 3hk8 n MET 281 Cb 0.52 -1.49 0.05 0.00 -0.71 0.00 0.00 33.22 31.59 3hk8 n MET 281 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 3hk8 h ASP 282 N 0.61 -0.37 -0.55 7.83 5.19 -1.93 -0.09 116.42 127.11 3hk8 h ASP 282 Ca 0.00 0.14 -0.01 0.00 -0.62 0.00 0.00 57.03 56.55 3hk8 h ASP 282 Cb 0.50 0.28 -0.03 0.00 0.18 0.00 0.00 39.33 40.26 3hk8 h ASP 282 CO 0.00 -0.14 0.31 1.23 -3.12 0.00 0.00 179.24 177.52 3hk8 h GLY 283 N 0.05 0.82 1.02 2.75 0.00 -1.77 -0.90 103.07 105.03 3hk8 h GLY 283 Ca 0.26 -0.37 -0.09 0.00 0.00 0.00 0.00 47.33 47.14 3hk8 h GLY 283 CO -0.50 0.35 -0.03 -2.08 0.00 0.00 0.00 176.54 174.28 3hk8 h VAL 284 N 0.74 1.27 -0.44 4.60 2.07 -1.73 -1.71 116.25 121.05 3hk8 h VAL 284 Ca 0.20 -1.12 0.01 0.00 0.82 0.00 0.00 66.70 66.60 3hk8 h VAL 284 Cb 0.04 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 3hk8 h VAL 284 CO -0.03 0.39 0.28 -0.08 0.02 0.00 0.00 177.57 178.15 3hk8 h GLU 285 N 0.74 0.56 -0.33 1.57 4.81 -0.82 -1.13 114.58 119.98 3hk8 h GLU 285 Ca 0.13 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 3hk8 h GLU 285 Cb 0.56 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 3hk8 h GLU 285 CO 0.03 0.37 0.14 1.25 -0.73 0.00 0.00 179.01 180.07 3hk8 h HIS 286 N 0.58 0.49 -0.48 0.92 2.76 -1.04 -2.05 115.15 116.33 3hk8 h HIS 286 Ca 0.17 -0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.31 3hk8 h HIS 286 Cb -0.05 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 28.74 3hk8 h HIS 286 CO -0.05 0.46 0.31 -0.07 -1.30 0.00 0.00 177.93 177.27 3hk8 h LEU 287 N 0.38 0.53 -0.44 0.26 3.38 -1.04 0.72 115.31 119.11 3hk8 h LEU 287 Ca 0.11 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 3hk8 h LEU 287 Cb 0.17 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3hk8 h LEU 287 CO -0.01 0.38 0.16 -0.07 0.09 0.00 0.00 178.44 178.99 3hk8 h LEU 288 N 0.63 0.62 -0.05 1.67 3.38 -1.12 -1.87 115.31 118.58 3hk8 h LEU 288 Ca 0.18 -0.19 -0.17 0.00 0.09 0.00 0.00 57.88 57.79 3hk8 h LEU 288 Cb -0.06 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 40.54 3hk8 h LEU 288 CO -0.05 0.64 -0.65 -0.09 0.09 0.00 0.00 178.44 178.39 3hk8 h ARG 289 N 0.56 0.52 0.00 1.13 2.43 -1.24 -3.33 114.38 114.45 3hk8 h ARG 289 Ca 0.14 -0.50 0.00 0.00 -0.81 0.00 0.00 59.98 58.82 3hk8 h ARG 289 Cb 0.23 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 3hk8 h ARG 289 CO -0.01 1.13 -0.11 0.39 -1.51 0.00 0.00 179.97 179.86 3hk8 n GLU 290 N -4.15 0.28 -3.17 0.20 -0.58 0.23 -4.14 120.64 109.32 3hk8 n GLU 290 Ca -0.09 0.20 -0.25 0.00 -0.42 0.00 0.00 57.16 56.60 3hk8 n GLU 290 Cb 0.68 -1.80 -0.06 0.00 -0.57 0.00 0.00 31.44 29.70 3hk8 n GLU 290 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 3hk8 n TYR 291 N -2.27 2.68 0.34 -0.32 4.01 -0.70 -4.92 117.16 115.98 3hk8 n TYR 291 Ca 0.05 -3.96 0.22 0.00 -0.16 0.00 0.00 57.90 54.05 3hk8 n TYR 291 Cb 0.44 -0.48 1.19 0.00 -0.31 0.00 0.00 39.34 40.18 3hk8 n TYR 291 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3hk8 h PRO 292 N 3.50 0.00 -0.15 -0.72 0.13 -1.72 -1.15 132.00 131.90 3hk8 h PRO 292 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3hk8 h PRO 292 Cb 0.68 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.81 3hk8 h PRO 292 CO 0.72 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.58 3hk8 n ASN 293 N -3.15 2.05 -4.73 1.44 5.03 -1.26 -4.86 115.26 109.78 3hk8 n ASN 293 Ca -0.03 -1.73 -0.29 0.00 0.87 0.00 0.00 54.58 53.40 3hk8 n ASN 293 Cb 0.08 -0.09 -0.07 0.00 -1.02 0.00 0.00 39.78 38.68 3hk8 n ASN 293 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 3hk8 s ASN 294 N -1.72 5.25 -0.06 6.41 0.01 -0.44 -4.81 114.94 119.58 3hk8 s ASN 294 Ca 0.34 -0.13 0.01 0.00 -0.71 0.00 0.00 52.86 52.37 3hk8 s ASN 294 Cb 0.19 -1.31 -0.03 0.00 0.41 0.00 0.00 41.25 40.51 3hk8 s ASN 294 CO 0.29 0.15 -0.07 -0.54 -1.51 0.00 0.00 177.10 175.42 3hk8 s LYS 295 N -2.52 2.71 -0.07 -0.60 1.02 -1.26 -4.84 119.74 114.18 3hk8 s LYS 295 Ca 0.28 -0.58 0.02 0.00 0.02 0.00 0.00 55.97 55.71 3hk8 s LYS 295 Cb -0.11 -2.57 0.01 0.00 -0.52 0.00 0.00 37.83 34.64 3hk8 s LYS 295 CO 0.20 0.65 -0.12 -0.06 -0.92 0.00 0.00 175.35 175.11 3hk8 s PHE 296 N -0.83 1.42 -0.20 3.18 0.08 0.34 -0.89 117.98 121.08 3hk8 s PHE 296 Ca 0.13 -0.53 -0.06 0.00 0.12 0.00 0.00 56.93 56.59 3hk8 s PHE 296 Cb -0.11 -1.06 -0.03 0.00 -0.57 0.00 0.00 43.02 41.25 3hk8 s PHE 296 CO 0.02 -0.28 0.04 -0.51 -0.10 0.00 0.00 175.22 174.39 3hk8 s LEU 297 N 0.72 3.53 0.00 -0.37 1.43 -0.05 -0.77 118.68 123.18 3hk8 s LEU 297 Ca -0.14 -0.07 0.02 0.00 -1.03 0.00 0.00 54.13 52.91 3hk8 s LEU 297 Cb -0.16 -1.90 -0.01 0.00 0.03 0.00 0.00 46.19 44.16 3hk8 s LEU 297 CO 0.03 0.10 -0.06 -0.69 0.23 0.00 0.00 176.35 175.96 3hk8 s VAL 298 N 0.79 0.49 -0.05 -1.59 1.01 -0.66 -0.55 120.40 119.85 3hk8 s VAL 298 Ca 0.02 -0.36 -0.05 0.00 0.00 0.00 0.00 61.98 61.59 3hk8 s VAL 298 Cb -0.14 -0.43 0.01 0.00 0.00 0.00 0.00 36.38 35.82 3hk8 s VAL 298 CO 0.02 0.07 0.13 0.28 0.00 0.00 0.00 175.10 175.60 3hk8 s THR 299 N -0.29 0.01 0.12 3.92 -1.32 -1.04 -1.80 115.64 115.22 3hk8 s THR 299 Ca 0.01 -0.05 0.10 0.00 -1.21 0.00 0.00 61.69 60.54 3hk8 s THR 299 Cb -0.03 -0.21 -0.04 0.00 -1.51 0.00 0.00 72.50 70.71 3hk8 s THR 299 CO -0.00 -0.03 -0.25 -0.04 -2.21 0.00 0.00 174.62 172.09 3hk8 s MET 300 N -0.03 1.34 0.06 7.08 -1.94 -1.26 -1.63 119.30 122.93 3hk8 s MET 300 Ca -0.01 -1.28 0.08 0.00 -1.71 0.00 0.00 55.69 52.77 3hk8 s MET 300 Cb -0.01 -1.76 -0.22 0.00 2.01 0.00 0.00 34.83 34.85 3hk8 s MET 300 CO 0.00 0.42 1.06 1.25 -0.01 0.00 0.00 175.02 177.74 3hk8 h LEU 301 N 3.99 0.02 -9.51 -0.03 5.85 -0.92 -3.42 115.31 111.29 3hk8 h LEU 301 Ca -0.49 -0.02 -0.53 0.00 0.84 0.00 0.00 57.88 57.68 3hk8 h LEU 301 Cb 1.17 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.17 3hk8 h LEU 301 CO 0.39 1.02 0.30 -0.55 -0.34 0.00 0.00 178.44 179.26 3hk8 s SER 302 N -6.51 7.37 0.47 1.25 0.15 -1.26 -4.59 113.70 110.57 3hk8 s SER 302 Ca -0.01 1.65 0.12 0.00 0.70 0.00 0.00 55.95 58.40 3hk8 s SER 302 Cb 0.09 -2.55 1.08 0.00 -1.71 0.00 0.00 66.02 62.93 3hk8 s SER 302 CO 0.82 -0.10 2.10 -0.09 1.20 0.00 0.00 173.24 177.17 3hk8 h ARG 303 N 5.99 0.26 0.00 5.44 2.43 -1.95 -2.00 114.38 124.55 3hk8 h ARG 303 Ca -0.42 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 3hk8 h ARG 303 Cb 1.21 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 3hk8 h ARG 303 CO 0.73 0.17 0.00 0.39 -1.51 0.00 0.00 179.97 179.75 3hk8 n GLU 304 N -4.51 0.57 -0.00 0.20 4.71 -1.26 -2.91 120.64 117.44 3hk8 n GLU 304 Ca 0.00 0.02 0.09 0.00 -0.01 0.00 0.00 57.16 57.27 3hk8 n GLU 304 Cb 0.09 -1.50 -0.13 0.00 -1.01 0.00 0.00 31.44 28.89 3hk8 n GLU 304 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3hk8 n ASN 305 N -1.17 0.76 0.13 1.62 5.03 -0.75 -4.71 115.26 116.16 3hk8 n ASN 305 Ca 0.16 -0.50 -0.13 0.00 0.87 0.00 0.00 54.58 54.98 3hk8 n ASN 305 Cb 0.16 1.41 -0.06 0.00 -1.02 0.00 0.00 39.78 40.27 3hk8 n ASN 305 CO 0.00 0.00 0.00 1.56 -1.83 0.00 0.00 177.26 176.99 3hk8 h GLN 306 N 0.00 -0.39 -0.37 3.52 1.08 -1.55 -1.82 115.11 115.57 3hk8 h GLN 306 Ca 0.00 0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.22 3hk8 h GLN 306 Cb 0.64 0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 28.15 3hk8 h GLN 306 CO 0.00 -0.26 0.19 1.25 -0.95 0.00 0.00 178.83 179.06 3hk8 h HIS 307 N -0.41 0.52 0.00 2.96 2.76 -1.84 -2.22 115.15 116.92 3hk8 h HIS 307 Ca 0.01 -0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.12 3hk8 h HIS 307 Cb 0.40 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.19 3hk8 h HIS 307 CO -0.17 0.43 -0.21 1.05 -1.30 0.00 0.00 177.93 177.72 3hk8 h GLU 308 N 0.47 0.00 -0.51 5.26 4.11 -1.84 -1.78 114.58 120.29 3hk8 h GLU 308 Ca 0.13 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.44 3hk8 h GLU 308 Cb 0.09 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 3hk8 h GLU 308 CO -0.02 0.21 -0.16 1.25 0.07 0.00 0.00 179.01 180.36 3hk8 h LEU 309 N 0.00 1.02 -0.59 3.06 5.85 -0.96 -0.78 115.31 122.91 3hk8 h LEU 309 Ca -0.00 -0.36 -0.04 0.00 0.84 0.00 0.00 57.88 58.32 3hk8 h LEU 309 Cb 0.46 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 3hk8 h LEU 309 CO 0.03 1.16 0.23 0.58 -0.34 0.00 0.00 178.44 180.10 3hk8 h VAL 310 N 0.88 1.23 -0.48 1.05 2.07 -0.76 -2.01 116.25 118.24 3hk8 h VAL 310 Ca 0.13 -0.72 -0.06 0.00 0.82 0.00 0.00 66.70 66.87 3hk8 h VAL 310 Cb 0.74 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 3hk8 h VAL 310 CO 0.06 0.28 0.06 0.58 0.02 0.00 0.00 177.57 178.57 3hk8 h VAL 311 N 0.82 1.22 -0.09 2.57 2.07 -1.04 -2.06 116.25 119.74 3hk8 h VAL 311 Ca 0.20 -0.87 -0.07 0.00 0.82 0.00 0.00 66.70 66.78 3hk8 h VAL 311 Cb 0.21 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 3hk8 h VAL 311 CO -0.01 0.31 -0.28 0.25 0.02 0.00 0.00 177.57 177.85 3hk8 h LEU 312 N 0.72 0.15 -1.41 2.57 5.85 -0.78 -1.68 115.31 120.73 3hk8 h LEU 312 Ca 0.15 -0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.77 3hk8 h LEU 312 Cb 0.35 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 3hk8 h LEU 312 CO 0.01 0.44 -0.25 0.00 -0.34 0.00 0.00 178.44 178.30 3hk8 h ALA 313 N 1.57 1.19 0.00 1.25 0.00 -0.66 -1.48 119.26 121.13 3hk8 h ALA 313 Ca 0.02 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 3hk8 h ALA 313 Cb 0.58 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3hk8 h ALA 313 CO 0.04 0.31 -0.36 0.00 0.00 0.00 0.00 179.25 179.24 3hk8 h ARG 314 N 0.00 0.00 0.21 0.00 3.08 -1.02 -3.26 114.38 113.39 3hk8 h ARG 314 Ca -0.00 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.71 3hk8 h ARG 314 Cb 0.60 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.68 3hk8 h ARG 314 CO 0.03 0.36 -1.59 0.87 -1.07 0.00 0.00 179.97 178.58 3hk8 h LYS 315 N 0.00 0.45 -4.81 0.04 1.79 -1.12 -3.46 116.57 109.46 3hk8 h LYS 315 Ca -0.00 -0.77 -0.61 0.00 -2.18 0.00 0.00 60.65 57.09 3hk8 h LYS 315 Cb 0.92 0.29 -0.35 0.00 -1.58 0.00 0.00 32.23 31.51 3hk8 h LYS 315 CO 0.05 1.37 -0.84 -0.06 -1.08 0.00 0.00 179.45 178.88 3hk8 s PHE 316 N -2.57 2.22 -0.77 -1.35 0.08 -0.82 -4.99 117.98 109.78 3hk8 s PHE 316 Ca -0.13 -1.17 0.24 0.00 0.12 0.00 0.00 56.93 55.99 3hk8 s PHE 316 Cb 0.05 -1.59 0.92 0.00 -0.57 0.00 0.00 43.02 41.82 3hk8 s PHE 316 CO 0.89 -0.60 1.73 -1.13 -0.10 0.00 0.00 175.22 176.01 3hk8 n SER 317 N 4.45 0.45 -0.46 1.36 3.41 -1.26 -2.52 113.62 119.04 3hk8 n SER 317 Ca -0.18 0.57 0.04 0.00 -0.26 0.00 0.00 58.87 59.04 3hk8 n SER 317 Cb 0.51 -0.68 0.12 0.00 -0.26 0.00 0.00 64.21 63.89 3hk8 n SER 317 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3hk8 n ASN 318 N -1.95 1.34 -4.37 4.04 6.94 -1.26 -4.75 115.26 115.25 3hk8 n ASN 318 Ca 0.05 -1.99 -0.34 0.00 -0.02 0.00 0.00 54.58 52.27 3hk8 n ASN 318 Cb 0.31 -0.17 -0.14 0.00 -2.36 0.00 0.00 39.78 37.42 3hk8 n ASN 318 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 3hk8 s LEU 319 N -1.01 2.87 -0.21 -4.53 2.96 -1.05 -0.50 118.68 117.21 3hk8 s LEU 319 Ca 0.17 -0.31 0.01 0.00 -0.22 0.00 0.00 54.13 53.78 3hk8 s LEU 319 Cb 0.09 -1.68 0.04 0.00 0.50 0.00 0.00 46.19 45.14 3hk8 s LEU 319 CO 0.12 0.11 -0.11 -0.32 -1.32 0.00 0.00 176.35 174.83 3hk8 s MET 320 N 0.70 2.10 0.23 1.98 -2.45 0.05 -4.94 119.30 116.96 3hk8 s MET 320 Ca -0.04 -0.92 -0.13 0.00 -1.25 0.00 0.00 55.69 53.34 3hk8 s MET 320 Cb -0.15 -2.50 -0.08 0.00 1.25 0.00 0.00 34.83 33.35 3hk8 s MET 320 CO 0.02 -0.44 0.61 0.96 1.05 0.00 0.00 175.02 177.22 3hk8 s ILE 321 N 1.35 4.81 0.03 10.11 -4.36 -1.26 -1.65 121.20 130.22 3hk8 s ILE 321 Ca -0.02 0.77 -0.04 0.00 -0.26 0.00 0.00 60.65 61.10 3hk8 s ILE 321 Cb -0.17 -3.68 -0.01 0.00 1.25 0.00 0.00 42.46 39.85 3hk8 s ILE 321 CO -0.08 0.03 0.06 0.72 0.24 0.00 0.00 174.94 175.91 3hk8 s PHE 322 N -1.72 0.21 0.17 1.37 -0.12 -0.75 -2.02 117.98 115.12 3hk8 s PHE 322 Ca 0.46 -0.48 0.00 0.00 -0.05 0.00 0.00 56.93 56.86 3hk8 s PHE 322 Cb -0.13 -0.15 0.00 0.00 -0.63 0.00 0.00 43.02 42.11 3hk8 s PHE 322 CO 0.20 -0.30 0.00 0.41 -0.05 0.00 0.00 175.22 175.47 3hk8 n GLY 323 N 1.08 -0.95 2.92 1.99 0.00 0.27 -4.46 105.19 106.03 3hk8 n GLY 323 Ca -0.21 -0.49 -0.30 0.00 0.00 0.00 0.00 46.02 45.03 3hk8 n GLY 323 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hk8 s TRP 325 N -0.10 3.28 0.00 0.00 -0.00 -1.26 -3.16 118.94 117.70 3hk8 s TRP 325 Ca 0.17 1.26 0.00 0.00 -0.00 0.00 0.00 56.10 57.52 3hk8 s TRP 325 Cb -0.25 -3.41 0.00 0.00 -0.00 0.00 0.00 33.47 29.81 3hk8 s TRP 325 CO -0.01 -1.26 0.00 1.87 -0.00 0.00 0.00 176.95 177.55 3hk8 n TRP 326 N 4.77 0.00 0.39 5.86 -0.00 -1.26 -0.76 117.44 126.44 3hk8 n TRP 326 Ca 0.10 0.00 0.07 0.00 -0.00 0.00 0.00 57.50 57.67 3hk8 n TRP 326 Cb 0.46 0.00 0.31 0.00 -0.00 0.00 0.00 31.31 32.08 3hk8 n TRP 326 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 177.69 178.88 3hk8 n PHE 327 N 0.00 0.18 0.49 5.87 3.72 -1.26 -1.27 117.46 125.18 3hk8 n PHE 327 Ca 0.00 0.07 0.12 0.00 -0.05 0.00 0.00 57.45 57.59 3hk8 n PHE 327 Cb 0.00 -0.62 0.09 0.00 -0.94 0.00 0.00 39.48 38.01 3hk8 n PHE 327 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 3hk8 n MET 328 N -1.67 0.35 -1.25 -1.08 2.81 0.06 -4.60 117.12 111.74 3hk8 n MET 328 Ca 0.03 0.05 -0.36 0.00 -1.81 0.00 0.00 57.70 55.61 3hk8 n MET 328 Cb 0.15 -1.67 -0.04 0.00 -0.71 0.00 0.00 33.22 30.95 3hk8 n MET 328 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 3hk8 n ASN 329 N -2.15 8.26 -3.98 7.83 5.15 -0.40 -3.78 115.26 126.19 3hk8 n ASN 329 Ca 0.02 -2.54 -0.17 0.00 -0.60 0.00 0.00 54.58 51.28 3hk8 n ASN 329 Cb 0.46 -1.52 -0.15 0.00 -0.53 0.00 0.00 39.78 38.04 3hk8 n ASN 329 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 3hk8 s ASN 330 N 2.24 0.81 0.19 1.20 0.01 -1.26 -4.98 114.94 113.14 3hk8 s ASN 330 Ca 0.68 -0.12 -0.16 0.00 -0.71 0.00 0.00 52.86 52.54 3hk8 s ASN 330 Cb 0.19 -0.12 0.18 0.00 0.41 0.00 0.00 41.25 41.90 3hk8 s ASN 330 CO -0.05 0.07 1.31 -2.65 -1.51 0.00 0.00 177.10 174.26 3hk8 n PRO 331 N 3.02 -0.22 -0.23 -0.60 -0.02 -1.26 -0.33 135.00 135.36 3hk8 n PRO 331 Ca -0.14 1.30 0.01 0.00 -2.02 0.00 0.00 63.50 62.64 3hk8 n PRO 331 Cb 0.57 -1.92 0.13 0.00 -0.02 0.00 0.00 33.50 32.26 3hk8 n PRO 331 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3hk8 h GLU 332 N 0.00 0.52 0.07 -0.52 4.57 -1.98 -0.08 114.58 117.16 3hk8 h GLU 332 Ca 0.28 -0.03 -0.22 0.00 -1.18 0.00 0.00 59.36 58.21 3hk8 h GLU 332 Cb 0.49 -0.12 0.02 0.00 -0.16 0.00 0.00 28.75 28.98 3hk8 h GLU 332 CO -0.83 0.34 -0.90 0.82 -1.18 0.00 0.00 179.01 177.26 3hk8 h ILE 333 N 0.53 1.38 -0.68 2.32 1.08 -1.19 -2.95 117.51 118.00 3hk8 h ILE 333 Ca 0.34 -2.31 0.05 0.00 -0.39 0.00 0.00 64.86 62.55 3hk8 h ILE 333 Cb 0.39 2.73 -0.05 0.00 -3.07 0.00 0.00 36.82 36.82 3hk8 h ILE 333 CO -0.29 0.68 0.40 0.40 -0.69 0.00 0.00 178.15 178.66 3hk8 h ILE 334 N 0.01 1.02 0.05 -0.67 2.04 -0.42 0.33 117.51 119.87 3hk8 h ILE 334 Ca -0.13 -0.26 -0.00 0.00 1.00 0.00 0.00 64.86 65.47 3hk8 h ILE 334 Cb 1.61 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 3hk8 h ILE 334 CO 0.17 0.14 -0.02 -1.13 0.00 0.00 0.00 178.15 177.31 3hk8 h ASN 335 N 0.76 -0.05 -0.48 1.72 -0.73 -1.08 -0.19 115.58 115.53 3hk8 h ASN 335 Ca 0.29 -0.05 -0.05 0.00 1.87 0.00 0.00 56.30 58.36 3hk8 h ASN 335 Cb 0.12 0.01 -0.02 0.00 0.27 0.00 0.00 38.32 38.70 3hk8 h ASN 335 CO -0.15 0.02 0.10 1.05 -0.37 0.00 0.00 177.43 178.08 3hk8 h GLU 336 N -0.12 0.78 -0.11 6.67 4.11 -1.30 -2.23 114.58 122.39 3hk8 h GLU 336 Ca -0.01 -0.20 -0.00 0.00 0.07 0.00 0.00 59.36 59.22 3hk8 h GLU 336 Cb 0.10 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 3hk8 h GLU 336 CO 0.01 0.77 0.05 0.52 0.07 0.00 0.00 179.01 180.43 3hk8 h MET 337 N 0.66 0.15 -0.57 1.06 2.86 -0.86 -1.47 114.93 116.76 3hk8 h MET 337 Ca 0.15 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.74 3hk8 h MET 337 Cb 0.35 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.96 3hk8 h MET 337 CO 0.00 0.22 0.25 1.15 1.06 0.00 0.00 176.91 179.60 3hk8 h THR 338 N 0.05 1.20 -0.18 2.22 2.02 -0.99 -0.55 112.91 116.68 3hk8 h THR 338 Ca 0.04 -0.59 -0.13 0.00 0.77 0.00 0.00 66.41 66.50 3hk8 h THR 338 Cb 0.12 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 67.02 3hk8 h THR 338 CO -0.00 0.24 -0.38 0.03 0.37 0.00 0.00 175.52 175.78 3hk8 h ARG 339 N 0.81 0.57 -0.75 6.66 3.08 -1.28 -1.61 114.38 121.86 3hk8 h ARG 339 Ca 0.20 -0.38 -0.01 0.00 0.07 0.00 0.00 59.98 59.87 3hk8 h ARG 339 Cb 0.12 0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.19 3hk8 h ARG 339 CO -0.02 0.99 0.45 0.52 -1.07 0.00 0.00 179.97 180.84 3hk8 h MET 340 N 0.23 1.02 -0.12 0.04 2.86 -1.00 -1.50 114.93 116.47 3hk8 h MET 340 Ca 0.00 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 3hk8 h MET 340 Cb 0.98 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 32.42 3hk8 h MET 340 CO 0.08 0.73 0.03 0.00 1.06 0.00 0.00 176.91 178.81 3hk8 h ARG 341 N 1.03 0.19 -0.51 1.72 3.08 -1.06 -2.38 114.38 116.45 3hk8 h ARG 341 Ca 0.27 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 60.20 3hk8 h ARG 341 Cb -0.03 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 3hk8 h ARG 341 CO -0.05 0.36 0.02 1.98 -1.07 0.00 0.00 179.97 181.22 3hk8 h MET 342 N -0.01 0.85 -0.81 0.04 4.05 -1.20 0.31 114.93 118.16 3hk8 h MET 342 Ca 0.04 -0.23 -0.01 0.00 -0.28 0.00 0.00 59.70 59.22 3hk8 h MET 342 Cb 0.26 -0.10 -0.04 0.00 -0.80 0.00 0.00 31.60 30.92 3hk8 h MET 342 CO 0.00 0.83 0.46 0.93 0.23 0.00 0.00 176.91 179.37 3hk8 h GLU 343 N 0.79 1.10 0.00 0.39 5.08 -1.17 0.35 114.58 121.13 3hk8 h GLU 343 Ca 0.16 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3hk8 h GLU 343 Cb 0.44 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3hk8 h GLU 343 CO 0.02 0.79 -1.51 -1.33 -1.00 0.00 0.00 179.01 175.98 3hk8 n MET 344 N -4.36 0.41 0.00 2.33 2.81 -0.91 -4.61 117.12 112.79 3hk8 n MET 344 Ca 0.09 -0.10 0.00 0.00 -1.81 0.00 0.00 57.70 55.87 3hk8 n MET 344 Cb 0.08 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.10 3hk8 n MET 344 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3hk8 n LEU 345 N -1.89 0.47 0.00 4.03 4.77 0.11 -4.92 117.00 119.58 3hk8 n LEU 345 Ca -0.00 -0.59 0.00 0.00 -0.03 0.00 0.00 56.01 55.39 3hk8 n LEU 345 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 3hk8 n LEU 345 CO 0.44 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 3hk8 n GLY 346 N 0.23 3.73 0.79 -0.72 0.00 0.12 -1.88 105.19 107.46 3hk8 n GLY 346 Ca 0.00 -0.04 0.07 0.00 0.00 0.00 0.00 46.02 46.05 3hk8 n GLY 346 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hk8 n THR 347 N 0.00 1.60 -1.59 2.61 -2.24 -1.26 -4.28 114.28 109.13 3hk8 n THR 347 Ca 0.00 -1.39 -0.31 0.00 -2.27 0.00 0.00 64.05 60.08 3hk8 n THR 347 Cb 0.00 0.16 -0.05 0.00 -2.10 0.00 0.00 70.33 68.33 3hk8 n THR 347 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3hk8 n SER 348 N 0.09 7.16 -3.68 3.42 3.41 -0.79 -4.70 113.62 118.53 3hk8 n SER 348 Ca 0.16 -3.01 -0.09 0.00 -0.26 0.00 0.00 58.87 55.68 3hk8 n SER 348 Cb 0.65 -1.35 -0.02 0.00 -0.26 0.00 0.00 64.21 63.23 3hk8 n SER 348 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3hk8 s PHE 349 N -0.67 -0.32 -0.45 7.33 -0.12 -1.26 -4.82 117.98 117.67 3hk8 s PHE 349 Ca 0.60 -0.03 -0.08 0.00 -0.05 0.00 0.00 56.93 57.36 3hk8 s PHE 349 Cb 0.28 0.65 0.11 0.00 -0.63 0.00 0.00 43.02 43.42 3hk8 s PHE 349 CO -0.13 -1.06 0.30 0.42 -0.05 0.00 0.00 175.22 174.71 3hk8 s ILE 350 N -3.81 4.07 0.36 -4.49 1.01 -0.86 -4.68 121.20 112.81 3hk8 s ILE 350 Ca 0.07 -1.73 0.09 0.00 0.00 0.00 0.00 60.65 59.08 3hk8 s ILE 350 Cb -0.04 -3.65 0.32 0.00 0.01 0.00 0.00 42.46 39.10 3hk8 s ILE 350 CO -0.01 -0.70 1.90 1.55 0.00 0.00 0.00 174.94 177.68 3hk8 h PRO 351 N 8.38 0.66 -3.34 2.79 0.13 -1.85 0.79 132.00 139.56 3hk8 h PRO 351 Ca -0.20 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 64.85 3hk8 h PRO 351 Cb 1.07 -0.15 -0.11 0.00 0.13 0.00 0.00 31.00 31.94 3hk8 h PRO 351 CO 0.81 0.44 -0.01 -1.14 -0.23 0.00 0.00 178.00 177.87 3hk8 s GLN 352 N -5.65 1.27 0.05 0.86 2.00 -1.26 -3.39 119.66 113.54 3hk8 s GLN 352 Ca -0.10 -0.81 -0.11 0.00 -2.00 0.00 0.00 55.36 52.34 3hk8 s GLN 352 Cb 0.21 0.50 0.01 0.00 0.80 0.00 0.00 33.01 34.53 3hk8 s GLN 352 CO 0.78 -0.52 0.24 -3.38 -0.50 0.00 0.00 175.29 171.90 3hk8 s HIS 353 N -3.85 0.01 -0.05 1.67 -3.43 -1.26 -4.59 115.29 103.78 3hk8 s HIS 353 Ca 0.07 -0.24 -0.04 0.00 -0.80 0.00 0.00 55.06 54.06 3hk8 s HIS 353 Cb 0.00 0.02 -0.27 0.00 -1.43 0.00 0.00 32.58 30.89 3hk8 s HIS 353 CO -0.06 -0.48 0.65 0.66 -2.00 0.00 0.00 174.74 173.51 3hk8 h SER 354 N 3.23 0.40 -1.37 7.38 4.64 -1.93 -3.45 113.55 122.45 3hk8 h SER 354 Ca -0.32 -0.68 -0.31 0.00 -0.47 0.00 0.00 61.79 60.00 3hk8 h SER 354 Cb 1.20 -0.13 -0.08 0.00 -0.31 0.00 0.00 62.40 63.08 3hk8 h SER 354 CO 0.49 1.59 -0.34 -0.67 -0.87 0.00 0.00 176.83 177.03 3hk8 n ASP 355 N -3.44 -4.78 -4.71 4.97 -0.08 -0.04 -4.91 116.55 103.55 3hk8 n ASP 355 Ca -0.23 0.22 -0.43 0.00 -1.51 0.00 0.00 54.79 52.84 3hk8 n ASP 355 Cb 1.05 -3.76 -0.03 0.00 2.34 0.00 0.00 41.12 40.72 3hk8 n ASP 355 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3hk8 n ALA 356 N -0.00 2.17 -0.03 -1.67 0.00 -1.26 -4.42 120.51 115.29 3hk8 n ALA 356 Ca -0.17 0.40 0.02 0.00 0.00 0.00 0.00 53.44 53.69 3hk8 n ALA 356 Cb 0.57 -2.43 -0.12 0.00 0.00 0.00 0.00 19.45 17.47 3hk8 n ALA 356 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hk8 n ARG 357 N 2.88 0.92 -4.76 0.00 1.74 -1.26 0.31 116.66 116.48 3hk8 n ARG 357 Ca 0.13 -0.09 -0.30 0.00 -0.77 0.00 0.00 57.85 56.82 3hk8 n ARG 357 Cb 0.34 -1.37 -0.17 0.00 -1.02 0.00 0.00 32.46 30.24 3hk8 n ARG 357 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3hk8 s VAL 358 N -2.80 1.73 0.17 1.55 1.01 -1.26 -4.36 120.40 116.44 3hk8 s VAL 358 Ca -0.06 -0.80 -0.18 0.00 0.00 0.00 0.00 61.98 60.94 3hk8 s VAL 358 Cb 0.08 -1.54 0.12 0.00 0.00 0.00 0.00 36.38 35.04 3hk8 s VAL 358 CO 0.63 0.49 1.27 -0.11 0.00 0.00 0.00 175.10 177.37 3hk8 n LEU 359 N 3.89 -0.63 0.33 3.92 7.94 0.12 -0.84 117.00 131.74 3hk8 n LEU 359 Ca -0.20 1.44 0.21 0.00 -1.11 0.00 0.00 56.01 56.35 3hk8 n LEU 359 Cb 0.52 -0.29 1.16 0.00 0.53 0.00 0.00 43.42 45.34 3hk8 n LEU 359 CO 0.26 -1.26 1.18 -0.33 -1.11 0.00 0.00 177.39 176.13 3hk8 h GLU 360 N 0.00 0.00 -0.01 1.96 3.07 -1.94 -2.69 114.58 114.96 3hk8 h GLU 360 Ca 0.24 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.10 3hk8 h GLU 360 Cb 0.44 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.35 3hk8 h GLU 360 CO -0.80 0.00 0.02 1.96 -1.40 0.00 0.00 179.01 178.79 3hk8 h GLN 361 N 0.00 0.00 -0.59 2.33 4.20 -1.39 -1.33 115.11 118.32 3hk8 h GLN 361 Ca 0.00 0.00 0.15 0.00 0.06 0.00 0.00 58.65 58.86 3hk8 h GLN 361 Cb 0.07 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 3hk8 h GLN 361 CO -0.00 0.00 0.42 -0.07 -0.67 0.00 0.00 178.83 178.51 3hk8 h LEU 362 N 0.00 0.11 0.74 1.46 3.38 -1.65 0.94 115.31 120.29 3hk8 h LEU 362 Ca 0.01 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 3hk8 h LEU 362 Cb 0.04 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 40.78 3hk8 h LEU 362 CO -0.00 0.06 -0.36 0.40 0.09 0.00 0.00 178.44 178.63 3hk8 h ILE 363 N 0.12 0.02 -0.27 1.22 2.04 -1.48 -2.74 117.51 116.42 3hk8 h ILE 363 Ca 0.28 -0.27 -0.19 0.00 1.00 0.00 0.00 64.86 65.69 3hk8 h ILE 363 Cb 0.96 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 3hk8 h ILE 363 CO -0.03 0.00 -0.58 0.10 0.00 0.00 0.00 178.15 177.64 3hk8 h TYR 364 N -1.26 1.08 -0.31 1.37 -0.00 -1.60 -1.00 116.97 115.25 3hk8 h TYR 364 Ca -0.10 -0.40 0.06 0.00 0.00 0.00 0.00 58.73 58.29 3hk8 h TYR 364 Cb 0.77 -0.20 -0.05 0.00 0.00 0.00 0.00 36.73 37.24 3hk8 h TYR 364 CO 0.00 1.23 -0.04 0.87 -0.00 0.00 0.00 178.16 180.22 3hk8 h LYS 365 N 0.65 0.04 0.01 0.10 1.79 -0.94 0.80 116.57 119.02 3hk8 h LYS 365 Ca 0.01 -0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.28 3hk8 h LYS 365 Cb 1.19 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.81 3hk8 h LYS 365 CO 0.13 0.03 -0.89 -1.49 -1.08 0.00 0.00 179.45 176.15 3hk8 h TRP 366 N 0.05 0.08 -0.02 -1.35 4.06 -1.50 -2.47 115.95 114.80 3hk8 h TRP 366 Ca 0.15 -0.05 -0.00 0.00 2.06 0.00 0.00 58.89 61.05 3hk8 h TRP 366 Cb 0.22 -0.01 -0.00 0.00 -1.00 0.00 0.00 29.16 28.37 3hk8 h TRP 366 CO -0.26 0.91 -0.00 1.25 -3.56 0.00 0.00 178.44 176.77 3hk8 h HIS 367 N 0.03 0.04 -0.50 0.49 2.76 -0.81 0.28 115.15 117.43 3hk8 h HIS 367 Ca -0.02 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.12 3hk8 h HIS 367 Cb 1.55 -0.01 -0.02 0.00 1.55 0.00 0.00 27.41 30.48 3hk8 h HIS 367 CO 0.01 0.39 0.23 0.45 -1.30 0.00 0.00 177.93 177.71 3hk8 h HIS 368 N -0.32 0.73 -0.27 5.26 3.86 -0.93 -2.71 115.15 120.78 3hk8 h HIS 368 Ca 0.00 -0.04 -0.16 0.00 -1.16 0.00 0.00 60.37 59.02 3hk8 h HIS 368 Cb 0.37 -0.22 -0.00 0.00 1.06 0.00 0.00 27.41 28.62 3hk8 h HIS 368 CO 0.05 0.58 -0.46 0.77 0.86 0.00 0.00 177.93 179.73 3hk8 h SER 369 N 0.67 0.86 -0.92 2.45 0.02 -1.45 -3.16 113.55 112.02 3hk8 h SER 369 Ca 0.17 -0.53 -0.00 0.00 -0.84 0.00 0.00 61.79 60.59 3hk8 h SER 369 Cb 0.13 -0.25 -0.05 0.00 0.14 0.00 0.00 62.40 62.38 3hk8 h SER 369 CO -0.02 1.23 0.58 0.11 -1.14 0.00 0.00 176.83 177.58 3hk8 h LYS 370 N 0.53 1.24 -0.28 3.45 1.57 -0.89 -0.44 116.57 121.76 3hk8 h LYS 370 Ca 0.02 -0.10 -0.07 0.00 -1.87 0.00 0.00 60.65 58.63 3hk8 h LYS 370 Cb 1.06 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 33.09 3hk8 h LYS 370 CO 0.10 0.85 -0.11 0.66 -0.57 0.00 0.00 179.45 180.39 3hk8 h SER 371 N 1.27 0.44 -0.06 0.86 4.64 -1.50 0.89 113.55 120.08 3hk8 h SER 371 Ca 0.33 -0.11 -0.09 0.00 -0.47 0.00 0.00 61.79 61.45 3hk8 h SER 371 Cb -0.08 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 61.89 3hk8 h SER 371 CO -0.07 0.59 -0.33 0.40 -0.87 0.00 0.00 176.83 176.55 3hk8 h ILE 372 N 0.43 1.44 -0.65 0.95 2.04 -1.39 -2.72 117.51 117.61 3hk8 h ILE 372 Ca 0.08 -1.77 -0.03 0.00 1.00 0.00 0.00 64.86 64.14 3hk8 h ILE 372 Cb 0.45 2.40 -0.03 0.00 -0.74 0.00 0.00 36.82 38.90 3hk8 h ILE 372 CO 0.03 0.51 0.29 0.40 0.00 0.00 0.00 178.15 179.37 3hk8 h ILE 373 N -0.19 1.22 -0.47 -0.67 2.04 -0.91 -1.90 117.51 116.62 3hk8 h ILE 373 Ca -0.03 -0.63 -0.01 0.00 1.00 0.00 0.00 64.86 65.19 3hk8 h ILE 373 Cb 1.00 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 3hk8 h ILE 373 CO 0.07 0.26 0.26 0.00 0.00 0.00 0.00 178.15 178.74 3hk8 h ALA 374 N 1.40 0.60 -0.59 1.87 0.00 -0.84 -0.63 119.26 121.08 3hk8 h ALA 374 Ca 0.22 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3hk8 h ALA 374 Cb 0.13 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3hk8 h ALA 374 CO -0.03 0.12 0.19 0.93 0.00 0.00 0.00 179.25 180.46 3hk8 h GLU 375 N 0.62 0.89 -0.30 0.00 4.39 -1.10 -0.26 114.58 118.81 3hk8 h GLU 375 Ca 0.17 -0.16 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 3hk8 h GLU 375 Cb 0.04 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 3hk8 h GLU 375 CO -0.03 0.77 0.01 0.28 -1.16 0.00 0.00 179.01 178.88 3hk8 h VAL 376 N 0.87 1.25 -0.73 3.13 2.07 -0.96 -2.08 116.25 119.80 3hk8 h VAL 376 Ca 0.20 -0.92 -0.00 0.00 0.82 0.00 0.00 66.70 66.80 3hk8 h VAL 376 Cb 0.24 1.26 -0.04 0.00 -1.52 0.00 0.00 31.29 31.23 3hk8 h VAL 376 CO -0.01 0.30 0.45 -0.07 0.02 0.00 0.00 177.57 178.26 3hk8 h LEU 377 N 0.33 0.87 -0.62 2.57 3.38 -0.77 -1.20 115.31 119.87 3hk8 h LEU 377 Ca 0.09 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3hk8 h LEU 377 Cb 0.42 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 3hk8 h LEU 377 CO 0.01 0.66 0.40 0.40 0.09 0.00 0.00 178.44 180.01 3hk8 h ILE 378 N 1.00 1.17 -0.36 1.22 2.04 -0.93 0.13 117.51 121.78 3hk8 h ILE 378 Ca 0.26 -0.34 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 3hk8 h ILE 378 Cb -0.05 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 36.28 3hk8 h ILE 378 CO -0.05 0.17 0.13 0.44 0.00 0.00 0.00 178.15 178.83 3hk8 h ASP 379 N 0.85 0.50 -0.41 1.72 3.32 -0.93 -0.94 116.42 120.53 3hk8 h ASP 379 Ca 0.23 -0.18 -0.11 0.00 0.02 0.00 0.00 57.03 56.99 3hk8 h ASP 379 Cb -0.07 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 3hk8 h ASP 379 CO -0.05 0.55 -0.13 0.11 -1.72 0.00 0.00 179.24 178.00 3hk8 h LYS 380 N 0.43 0.88 -0.37 3.56 6.56 -0.88 -1.41 116.57 125.35 3hk8 h LYS 380 Ca 0.12 -0.32 -0.16 0.00 -1.06 0.00 0.00 60.65 59.23 3hk8 h LYS 380 Cb 0.22 -0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 31.81 3hk8 h LYS 380 CO -0.01 0.96 -0.39 1.88 -2.06 0.00 0.00 179.45 179.84 3hk8 h TYR 381 N 0.79 1.06 -0.48 -1.35 0.05 -0.69 -3.02 116.97 113.33 3hk8 h TYR 381 Ca 0.12 -0.32 -0.05 0.00 0.05 0.00 0.00 58.73 58.54 3hk8 h TYR 381 Cb 0.66 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 38.15 3hk8 h TYR 381 CO 0.04 1.13 0.11 0.22 -1.05 0.00 0.00 178.16 178.60 3hk8 h ASP 382 N 0.72 0.68 -0.74 3.88 3.58 -0.98 -0.31 116.42 123.25 3hk8 h ASP 382 Ca 0.06 -0.11 -0.04 0.00 0.42 0.00 0.00 57.03 57.36 3hk8 h ASP 382 Cb 0.97 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 41.81 3hk8 h ASP 382 CO 0.09 0.68 0.31 0.44 -2.88 0.00 0.00 179.24 177.88 3hk8 h ASP 383 N 0.70 1.00 1.64 2.28 3.32 -1.14 -0.21 116.42 124.01 3hk8 h ASP 383 Ca 0.16 -0.16 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 3hk8 h ASP 383 Cb 0.28 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 3hk8 h ASP 383 CO -0.00 0.89 -0.36 0.16 -1.72 0.00 0.00 179.24 178.21 3hk8 h ILE 384 N 1.05 0.62 -0.47 0.35 3.07 -1.39 -2.78 117.51 117.97 3hk8 h ILE 384 Ca 0.25 -1.87 -0.13 0.00 1.55 0.00 0.00 64.86 64.66 3hk8 h ILE 384 Cb 0.18 2.30 -0.01 0.00 -0.27 0.00 0.00 36.82 39.03 3hk8 h ILE 384 CO -0.02 0.35 -0.20 -0.07 -1.05 0.00 0.00 178.15 177.16 3hk8 h LEU 385 N 0.00 0.99 -1.73 0.16 4.07 -0.64 -0.78 115.31 117.39 3hk8 h LEU 385 Ca -0.00 -0.39 0.00 0.00 0.08 0.00 0.00 57.88 57.56 3hk8 h LEU 385 Cb 1.27 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 42.74 3hk8 h LEU 385 CO 0.05 1.16 0.00 1.56 -1.08 0.00 0.00 178.44 180.13 3hk8 h GLN 386 N 0.81 0.00 -0.01 1.13 4.20 -0.96 -1.00 115.11 119.28 3hk8 h GLN 386 Ca 0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 3hk8 h GLN 386 Cb 0.78 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.56 3hk8 h GLN 386 CO 0.06 0.00 -0.00 0.00 -0.67 0.00 0.00 178.83 178.22 3hk8 n ALA 387 N -2.09 2.63 0.00 3.87 0.00 -0.74 -4.90 120.51 119.29 3hk8 n ALA 387 Ca -0.00 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.12 3hk8 n ALA 387 Cb 0.26 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.37 3hk8 n ALA 387 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hk8 n GLY 388 N 1.09 0.24 3.79 0.00 0.00 -0.38 -5.07 105.19 104.87 3hk8 n GLY 388 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.89 3hk8 n GLY 388 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3hk8 s TRP 389 N -2.00 3.04 -0.19 1.61 -0.11 -0.37 -4.99 118.94 115.93 3hk8 s TRP 389 Ca 0.00 1.59 -0.00 0.00 1.22 0.00 0.00 56.10 58.91 3hk8 s TRP 389 Cb 0.00 -3.09 0.01 0.00 -1.50 0.00 0.00 33.47 28.89 3hk8 s TRP 389 CO 0.00 -0.82 -0.16 -1.21 -4.62 0.00 0.00 176.95 170.14 3hk8 s GLU 390 N -3.07 3.10 -0.17 5.86 2.02 -1.26 -4.18 118.70 121.00 3hk8 s GLU 390 Ca 0.65 -0.77 -0.07 0.00 0.02 0.00 0.00 54.97 54.80 3hk8 s GLU 390 Cb -0.18 -2.69 -0.04 0.00 0.10 0.00 0.00 34.13 31.32 3hk8 s GLU 390 CO 0.22 -0.20 0.08 0.54 0.02 0.00 0.00 175.26 175.91 3hk8 s VAL 391 N 1.33 4.94 0.39 2.63 0.11 -1.26 -5.10 120.40 123.44 3hk8 s VAL 391 Ca 0.05 0.01 -0.04 0.00 -2.93 0.00 0.00 61.98 59.07 3hk8 s VAL 391 Cb -0.13 -3.21 -0.04 0.00 -1.53 0.00 0.00 36.38 31.47 3hk8 s VAL 391 CO -0.10 0.49 0.66 0.42 -3.33 0.00 0.00 175.10 173.24 3hk8 s THR 392 N 0.09 4.98 0.38 5.04 -4.23 -1.26 -4.98 115.64 115.65 3hk8 s THR 392 Ca 0.06 0.03 0.07 0.00 -1.18 0.00 0.00 61.69 60.67 3hk8 s THR 392 Cb -0.12 -3.82 0.20 0.00 1.34 0.00 0.00 72.50 70.10 3hk8 s THR 392 CO 0.00 -0.60 1.96 -0.08 -0.54 0.00 0.00 174.62 175.36 3hk8 h GLU 393 N 0.85 0.46 -0.21 3.99 4.81 -1.99 -1.80 114.58 120.69 3hk8 h GLU 393 Ca -0.48 -0.07 -0.10 0.00 -0.13 0.00 0.00 59.36 58.58 3hk8 h GLU 393 Cb 1.20 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.49 3hk8 h GLU 393 CO 0.63 0.43 -0.32 0.93 -0.73 0.00 0.00 179.01 179.95 3hk8 h GLU 394 N 0.45 0.42 -0.18 1.92 4.39 -1.99 -1.03 114.58 118.57 3hk8 h GLU 394 Ca 0.11 -0.17 -0.13 0.00 0.34 0.00 0.00 59.36 59.50 3hk8 h GLU 394 Cb 0.18 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 3hk8 h GLU 394 CO -0.00 0.69 -0.44 0.93 -1.16 0.00 0.00 179.01 179.03 3hk8 h GLU 395 N 0.36 0.43 -0.09 2.33 5.08 -1.74 -0.56 114.58 120.38 3hk8 h GLU 395 Ca 0.05 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 3hk8 h GLU 395 Cb 0.74 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.99 3hk8 h GLU 395 CO 0.06 0.79 0.01 0.82 -1.00 0.00 0.00 179.01 179.68 3hk8 h ILE 396 N 0.35 1.23 -0.68 3.13 2.04 -0.99 -0.14 117.51 122.45 3hk8 h ILE 396 Ca 0.03 -0.74 -0.00 0.00 1.00 0.00 0.00 64.86 65.15 3hk8 h ILE 396 Cb 0.92 1.54 -0.03 0.00 -0.74 0.00 0.00 36.82 38.51 3hk8 h ILE 396 CO 0.08 0.21 0.42 0.11 0.00 0.00 0.00 178.15 178.97 3hk8 h LYS 397 N -0.10 0.91 -0.04 2.37 1.57 -1.05 0.09 116.57 120.32 3hk8 h LYS 397 Ca 0.03 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3hk8 h LYS 397 Cb 0.32 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 3hk8 h LYS 397 CO 0.00 0.63 0.01 -0.09 -0.57 0.00 0.00 179.45 179.43 3hk8 h ARG 398 N 0.93 0.07 -0.60 3.15 2.43 -0.85 -0.61 114.38 118.90 3hk8 h ARG 398 Ca 0.25 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.40 3hk8 h ARG 398 Cb -0.06 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 3hk8 h ARG 398 CO -0.05 0.27 0.36 -0.44 -1.51 0.00 0.00 179.97 178.61 3hk8 h ASP 399 N -0.14 0.72 -0.46 -3.80 3.32 -0.54 -1.85 116.42 113.67 3hk8 h ASP 399 Ca 0.01 -0.06 -0.04 0.00 0.02 0.00 0.00 57.03 56.96 3hk8 h ASP 399 Cb 0.23 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 3hk8 h ASP 399 CO 0.00 0.57 0.14 0.58 -1.72 0.00 0.00 179.24 178.81 3hk8 h VAL 400 N 0.81 1.21 -0.40 -1.35 2.07 -0.92 -2.22 116.25 115.46 3hk8 h VAL 400 Ca 0.22 -0.75 -0.10 0.00 0.82 0.00 0.00 66.70 66.88 3hk8 h VAL 400 Cb -0.02 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 3hk8 h VAL 400 CO -0.04 0.28 -0.16 0.00 0.02 0.00 0.00 177.57 177.67 3hk8 h ALA 401 N 1.40 0.97 -0.23 1.67 0.00 -0.60 -1.82 119.26 120.65 3hk8 h ALA 401 Ca 0.17 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 3hk8 h ALA 401 Cb 0.25 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3hk8 h ALA 401 CO -0.01 0.61 0.04 -0.44 0.00 0.00 0.00 179.25 179.45 3hk8 h ASP 402 N 0.67 0.36 -0.17 0.00 3.32 -0.90 0.10 116.42 119.79 3hk8 h ASP 402 Ca 0.11 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 56.90 3hk8 h ASP 402 Cb 0.64 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 3hk8 h ASP 402 CO 0.05 0.52 0.08 -0.07 -1.72 0.00 0.00 179.24 178.09 3hk8 h LEU 403 N 0.18 0.23 -0.29 1.55 3.38 -1.29 -0.77 115.31 118.30 3hk8 h LEU 403 Ca 0.07 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3hk8 h LEU 403 Cb 0.31 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3hk8 h LEU 403 CO 0.00 0.31 -0.32 0.49 0.09 0.00 0.00 178.44 179.01 3hk8 n PHE 404 N -4.87 0.00 0.07 1.13 3.72 -0.69 -4.30 117.46 112.52 3hk8 n PHE 404 Ca -0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 3hk8 n PHE 404 Cb 0.11 -0.18 0.00 0.00 -0.94 0.00 0.00 39.48 38.47 3hk8 n PHE 404 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3hk8 n SER 405 N -0.98 -1.25 -0.22 4.37 2.88 -0.51 -1.72 113.62 116.19 3hk8 n SER 405 Ca 0.10 0.28 -0.05 0.00 -1.33 0.00 0.00 58.87 57.87 3hk8 n SER 405 Cb 0.34 1.47 0.12 0.00 -0.75 0.00 0.00 64.21 65.39 3hk8 n SER 405 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 3hk8 h ARG 406 N 0.00 1.03 -0.93 -1.46 3.08 -0.89 -2.87 114.38 112.34 3hk8 h ARG 406 Ca 0.00 -0.20 0.05 0.00 0.07 0.00 0.00 59.98 59.89 3hk8 h ARG 406 Cb 0.00 -0.16 -0.06 0.00 0.08 0.00 0.00 29.97 29.83 3hk8 h ARG 406 CO 0.00 0.88 0.60 -0.91 -1.07 0.00 0.00 179.97 179.47 3hk8 h ASN 407 N 1.00 0.98 0.47 7.04 2.35 -1.35 0.12 115.58 126.20 3hk8 h ASN 407 Ca 0.22 -0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.95 3hk8 h ASN 407 Cb 0.27 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.43 3hk8 h ASN 407 CO -0.01 0.66 -0.22 0.15 -1.65 0.00 0.00 177.43 176.35 3hk8 h PHE 408 N 1.14 -0.58 -0.34 1.19 3.57 -1.75 -0.85 116.94 119.31 3hk8 h PHE 408 Ca 0.38 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.87 3hk8 h PHE 408 Cb 0.06 0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 3hk8 h PHE 408 CO -0.01 -0.26 0.21 -1.49 -2.23 0.00 0.00 178.31 174.53 3hk8 h TRP 409 N -0.87 0.43 -0.33 0.41 4.06 -1.35 -0.64 115.95 117.65 3hk8 h TRP 409 Ca -0.06 0.01 -0.17 0.00 2.06 0.00 0.00 58.89 60.72 3hk8 h TRP 409 Cb 0.58 -0.14 -0.00 0.00 -1.00 0.00 0.00 29.16 28.59 3hk8 h TRP 409 CO 0.00 0.28 -0.47 -0.09 -3.56 0.00 0.00 178.44 174.60 3hk8 h ARG 410 N 0.46 0.88 -0.23 0.49 2.43 -0.69 -1.89 114.38 115.82 3hk8 h ARG 410 Ca 0.12 -0.51 -0.07 0.00 -0.81 0.00 0.00 59.98 58.71 3hk8 h ARG 410 Cb -0.04 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 3hk8 h ARG 410 CO -0.03 1.15 -0.12 0.35 -1.51 0.00 0.00 179.97 179.82 3hk8 h PHE 411 N 0.70 0.57 0.00 2.20 3.57 -0.14 -2.78 116.94 121.06 3hk8 h PHE 411 Ca 0.04 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.39 3hk8 h PHE 411 Cb 1.07 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.68 3hk8 h PHE 411 CO 0.07 0.77 0.00 -0.39 -2.23 0.00 0.00 178.31 176.53 3hk8 h VAL 412 N 0.21 0.00 0.00 1.41 -1.51 -1.20 -3.47 116.25 111.69 3hk8 h VAL 412 Ca 0.05 -0.44 0.00 0.00 -1.23 0.00 0.00 66.70 65.09 3hk8 h VAL 412 Cb 0.62 1.33 0.00 0.00 -2.13 0.00 0.00 31.29 31.12 3hk8 h VAL 412 CO 0.04 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.99