#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 0.27 -0.01 -1.46 2.43 -2.01 -2.48 114.38 111.12 3hk8 h ARG 6 Ca 0.00 -0.30 -0.13 0.00 -0.81 0.00 0.00 59.98 58.74 3hk8 h ARG 6 Cb 0.00 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 3hk8 h ARG 6 CO 0.00 1.02 -0.61 0.93 -1.51 0.00 0.00 179.97 179.79 3hk8 h GLU 7 N 0.15 0.03 -0.41 0.20 4.39 -2.02 0.28 114.58 117.20 3hk8 h GLU 7 Ca -0.06 -0.02 -0.07 0.00 0.34 0.00 0.00 59.36 59.55 3hk8 h GLU 7 Cb 1.55 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.19 3hk8 h GLU 7 CO 0.15 0.63 -0.02 0.28 -1.16 0.00 0.00 179.01 178.89 3hk8 h VAL 8 N 0.02 1.26 -0.48 3.13 2.07 -1.99 -1.54 116.25 118.72 3hk8 h VAL 8 Ca -0.01 -1.05 -0.06 0.00 0.82 0.00 0.00 66.70 66.40 3hk8 h VAL 8 Cb 1.09 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.97 3hk8 h VAL 8 CO 0.08 0.36 0.07 0.25 0.02 0.00 0.00 177.57 178.35 3hk8 h LEU 9 N 0.56 0.78 -0.72 2.57 5.85 -1.13 -2.84 115.31 120.37 3hk8 h LEU 9 Ca 0.11 -0.27 0.04 0.00 0.84 0.00 0.00 57.88 58.60 3hk8 h LEU 9 Cb 0.51 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.28 3hk8 h LEU 9 CO 0.02 0.85 0.45 0.00 -0.34 0.00 0.00 178.44 179.42 3hk8 h ALA 10 N 0.96 0.96 -0.44 1.25 0.00 -0.23 -0.05 119.26 121.70 3hk8 h ALA 10 Ca 0.15 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 3hk8 h ALA 10 Cb 0.41 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3hk8 h ALA 10 CO 0.01 0.21 -0.10 0.93 0.00 0.00 0.00 179.25 180.31 3hk8 h GLU 11 N 0.86 0.79 -0.20 0.00 4.39 -1.19 -0.74 114.58 118.49 3hk8 h GLU 11 Ca 0.30 -0.26 -0.20 0.00 0.34 0.00 0.00 59.36 59.53 3hk8 h GLU 11 Cb 0.05 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 3hk8 h GLU 11 CO -0.12 0.86 -0.68 0.87 -1.16 0.00 0.00 179.01 178.78 3hk8 h LYS 12 N 0.72 0.78 -0.16 2.33 1.57 -1.21 -1.30 116.57 119.30 3hk8 h LYS 12 Ca 0.12 -0.57 -0.02 0.00 -1.87 0.00 0.00 60.65 58.30 3hk8 h LYS 12 Cb 0.58 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 3hk8 h LYS 12 CO 0.04 1.19 0.01 0.28 -0.57 0.00 0.00 179.45 180.40 3hk8 h VAL 13 N 0.56 1.24 -0.51 0.50 2.07 -0.89 -0.68 116.25 118.55 3hk8 h VAL 13 Ca -0.02 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.70 3hk8 h VAL 13 Cb 1.29 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 32.49 3hk8 h VAL 13 CO 0.14 0.24 0.33 0.11 0.02 0.00 0.00 177.57 178.41 3hk8 h LYS 14 N 0.04 0.67 -0.09 1.57 1.57 -1.16 0.37 116.57 119.54 3hk8 h LYS 14 Ca 0.05 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3hk8 h LYS 14 Cb 0.36 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 3hk8 h LYS 14 CO 0.01 0.45 0.05 -0.91 -0.57 0.00 0.00 179.45 178.48 3hk8 h ASN 15 N 0.68 0.10 -0.40 0.86 -0.26 -1.15 0.11 115.58 115.53 3hk8 h ASN 15 Ca 0.18 -0.03 0.03 0.00 -0.56 0.00 0.00 56.30 55.92 3hk8 h ASN 15 Cb -0.07 -0.03 -0.03 0.00 -1.06 0.00 0.00 38.32 37.13 3hk8 h ASN 15 CO -0.04 0.10 0.20 0.00 -1.06 0.00 0.00 177.43 176.63 3hk8 h ALA 16 N 1.00 0.49 -0.34 -0.83 0.00 -0.79 -0.74 119.26 118.05 3hk8 h ALA 16 Ca 0.03 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3hk8 h ALA 16 Cb 0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3hk8 h ALA 16 CO -0.01 -0.16 0.16 0.28 0.00 0.00 0.00 179.25 179.52 3hk8 h VAL 17 N 0.41 1.17 -0.22 0.00 2.07 -0.73 -1.61 116.25 117.33 3hk8 h VAL 17 Ca 0.17 -0.48 -0.10 0.00 0.82 0.00 0.00 66.70 67.11 3hk8 h VAL 17 Cb 0.08 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 3hk8 h VAL 17 CO -0.12 0.18 -0.30 0.78 0.02 0.00 0.00 177.57 178.13 3hk8 h ASN 18 N 0.41 0.45 1.00 0.57 2.35 -0.74 -3.11 115.58 116.51 3hk8 h ASN 18 Ca 0.12 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 3hk8 h ASN 18 Cb 0.13 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.38 3hk8 h ASN 18 CO -0.01 0.73 -0.41 0.59 -1.65 0.00 0.00 177.43 176.68 3hk8 n ASN 19 N -4.09 0.66 -4.66 5.81 3.02 -0.30 -4.86 115.26 110.84 3hk8 n ASN 19 Ca -0.01 0.23 -0.43 0.00 -0.03 0.00 0.00 54.58 54.35 3hk8 n ASN 19 Cb 0.43 -0.13 -0.02 0.00 -0.61 0.00 0.00 39.78 39.45 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 4.17 0.22 3.52 2.00 -0.62 -4.96 119.66 120.86 3hk8 s GLN 20 Ca 0.08 1.91 -0.31 0.00 -2.00 0.00 0.00 55.36 55.05 3hk8 s GLN 20 Cb 0.14 -3.90 -0.10 0.00 0.80 0.00 0.00 33.01 29.95 3hk8 s GLN 20 CO 0.67 -0.83 1.50 -2.14 -0.50 0.00 0.00 175.29 173.99 3hk8 s PRO 21 N 3.87 4.24 -0.07 1.67 0.02 -1.26 -4.92 135.00 138.55 3hk8 s PRO 21 Ca 0.65 2.34 -0.11 0.00 0.02 0.00 0.00 61.00 63.91 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 -0.51 0.27 0.08 -0.33 0.00 0.00 177.00 176.74 3hk8 s VAL 22 N 0.43 5.29 -0.35 3.83 1.01 0.72 -4.70 120.40 126.62 3hk8 s VAL 22 Ca 0.64 0.51 -0.09 0.00 0.00 0.00 0.00 61.98 63.03 3hk8 s VAL 22 Cb -0.43 -3.55 0.03 0.00 0.00 0.00 0.00 36.38 32.43 3hk8 s VAL 22 CO 0.39 0.59 0.15 -0.89 0.00 0.00 0.00 175.10 175.34 3hk8 s THR 23 N -0.94 4.22 -0.64 3.92 2.01 -0.81 -0.24 115.64 123.16 3hk8 s THR 23 Ca 0.19 -0.91 -0.23 0.00 0.31 0.00 0.00 61.69 61.06 3hk8 s THR 23 Cb -0.14 -3.33 0.07 0.00 0.01 0.00 0.00 72.50 69.10 3hk8 s THR 23 CO 0.08 -0.16 0.95 -0.62 -0.69 0.00 0.00 174.62 174.19 3hk8 s ASP 24 N 1.50 6.19 0.00 3.53 -1.08 0.88 -4.75 116.67 122.94 3hk8 s ASP 24 Ca 0.01 -0.93 0.12 0.00 -0.52 0.00 0.00 52.55 51.23 3hk8 s ASP 24 Cb -0.19 -2.42 0.71 0.00 -1.46 0.00 0.00 42.92 39.56 3hk8 s ASP 24 CO 0.05 -1.41 1.44 1.15 0.52 0.00 0.00 175.17 176.92 3hk8 n MET 25 N 7.64 0.98 -3.21 4.34 0.00 -1.26 -0.79 117.12 124.82 3hk8 n MET 25 Ca -0.03 0.00 0.04 0.00 0.00 0.00 0.00 57.70 57.70 3hk8 n MET 25 Cb 0.46 -1.19 -0.02 0.00 0.00 0.00 0.00 33.22 32.47 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 -1.40 0.31 3.17 5.65 -1.26 -4.74 115.29 115.02 3hk8 s HIS 26 Ca 0.18 1.61 0.01 0.00 0.25 0.00 0.00 55.06 57.11 3hk8 s HIS 26 Cb 0.08 0.54 -0.02 0.00 -1.18 0.00 0.00 32.58 32.00 3hk8 s HIS 26 CO 0.14 -0.76 0.35 0.95 -0.65 0.00 0.00 174.74 174.77 3hk8 s THR 27 N 2.87 0.00 -0.25 0.89 -4.23 -0.60 -0.86 115.64 113.46 3hk8 s THR 27 Ca 0.14 -1.80 0.11 0.00 -1.18 0.00 0.00 61.69 58.96 3hk8 s THR 27 Cb -0.14 -2.54 0.46 0.00 1.34 0.00 0.00 72.50 71.62 3hk8 s THR 27 CO -0.19 0.00 1.19 1.41 -0.54 0.00 0.00 174.62 176.48 3hk8 n HIS 28 N -0.53 1.71 -3.45 3.99 8.25 0.15 -2.90 115.22 122.44 3hk8 n HIS 28 Ca 0.03 -1.93 -0.19 0.00 -0.26 0.00 0.00 57.72 55.37 3hk8 n HIS 28 Cb 0.62 -0.29 -0.00 0.00 1.12 0.00 0.00 29.99 31.44 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 -3.33 3.95 0.04 2.41 1.43 -1.20 -4.59 118.68 117.38 3hk8 s LEU 29 Ca 0.44 -0.21 0.01 0.00 -1.03 0.00 0.00 54.13 53.34 3hk8 s LEU 29 Cb 0.39 -2.74 -0.02 0.00 0.03 0.00 0.00 46.19 43.85 3hk8 s LEU 29 CO -0.01 -0.45 -0.06 -0.36 0.23 0.00 0.00 176.35 175.71 3hk8 s PHE 30 N -2.19 0.55 0.25 0.29 0.08 -1.26 -4.42 117.98 111.28 3hk8 s PHE 30 Ca 0.45 -0.56 -0.31 0.00 0.12 0.00 0.00 56.93 56.64 3hk8 s PHE 30 Cb -0.09 -0.34 -0.13 0.00 -0.57 0.00 0.00 43.02 41.88 3hk8 s PHE 30 CO 0.31 -0.13 1.36 0.45 -0.10 0.00 0.00 175.22 177.11 3hk8 n SER 31 N 1.36 2.59 -0.24 1.36 2.88 -1.26 -4.79 113.62 115.53 3hk8 n SER 31 Ca -0.22 1.15 0.24 0.00 -1.33 0.00 0.00 58.87 58.71 3hk8 n SER 31 Cb 0.55 -1.41 0.60 0.00 -0.75 0.00 0.00 64.21 63.20 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 3.90 0.23 0.00 -1.46 0.13 -1.94 0.90 132.00 133.76 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 0.73 0.15 0.00 0.27 -0.23 0.00 0.00 178.00 178.93 3hk8 n ASN 33 N -4.43 0.00 0.01 1.44 6.94 -1.26 -2.53 115.26 115.44 3hk8 n ASN 33 Ca 0.20 0.20 0.12 0.00 -0.02 0.00 0.00 54.58 55.08 3hk8 n ASN 33 Cb 0.85 -0.37 0.52 0.00 -2.36 0.00 0.00 39.78 38.43 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 -1.37 0.09 0.00 -2.53 3.01 0.31 -5.02 117.46 111.96 3hk8 n PHE 34 Ca 0.07 0.03 0.00 0.00 1.01 0.00 0.00 57.45 58.56 3hk8 n PHE 34 Cb 0.18 -0.55 0.00 0.00 -0.01 0.00 0.00 39.48 39.10 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 1.07 -0.17 0.16 1.37 0.00 -1.05 -4.58 105.19 102.01 3hk8 n GLY 35 Ca 0.06 -1.95 0.13 0.00 0.00 0.00 0.00 46.02 44.26 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 -0.03 1.61 4.39 -1.95 -2.86 114.58 115.74 3hk8 h GLU 36 Ca 0.00 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.71 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 0.04 -0.84 -1.16 0.00 0.00 179.01 177.05 3hk8 h ILE 37 N 0.00 0.39 -3.05 3.13 3.07 -1.97 -3.36 117.51 115.72 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 0.30 0.96 -0.06 0.00 -0.27 0.00 0.00 36.82 37.75 3hk8 h ILE 37 CO 0.00 0.00 1.06 -0.22 -1.05 0.00 0.00 178.15 177.94 3hk8 s LEU 38 N -7.30 3.46 0.12 0.16 2.96 -1.08 -4.80 118.68 112.21 3hk8 s LEU 38 Ca -0.05 0.36 -0.19 0.00 -0.22 0.00 0.00 54.13 54.03 3hk8 s LEU 38 Cb 0.15 -3.20 -0.07 0.00 0.50 0.00 0.00 46.19 43.56 3hk8 s LEU 38 CO 0.51 -1.58 0.62 -0.76 -1.32 0.00 0.00 176.35 173.82 3hk8 s LEU 39 N 5.60 4.48 0.06 -0.68 1.43 -1.26 -5.01 118.68 123.30 3hk8 s LEU 39 Ca 0.52 1.31 -0.27 0.00 -1.03 0.00 0.00 54.13 54.66 3hk8 s LEU 39 Cb -0.10 -3.13 0.09 0.00 0.03 0.00 0.00 46.19 43.07 3hk8 s LEU 39 CO 0.27 0.20 0.85 -1.66 0.23 0.00 0.00 176.35 176.23 3hk8 s TRP 40 N -1.25 -0.33 0.00 0.29 1.48 -1.26 -1.04 118.94 116.83 3hk8 s TRP 40 Ca 0.34 0.14 0.00 0.00 -1.06 0.00 0.00 56.10 55.52 3hk8 s TRP 40 Cb -0.19 0.57 0.00 0.00 -1.16 0.00 0.00 33.47 32.69 3hk8 s TRP 40 CO 0.20 -0.67 0.00 -0.40 -4.06 0.00 0.00 176.95 172.02 3hk8 n ASP 41 N -0.32 0.00 0.08 -2.66 5.68 -1.26 -4.52 116.55 113.56 3hk8 n ASP 41 Ca -0.09 0.00 0.08 0.00 -0.50 0.00 0.00 54.79 54.28 3hk8 n ASP 41 Cb 0.62 0.00 0.54 0.00 -1.14 0.00 0.00 41.12 41.14 3hk8 n ASP 41 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 3hk8 h ILE 42 N 0.00 1.00 -0.42 2.12 6.09 -1.96 -1.36 117.51 122.98 3hk8 h ILE 42 Ca 0.00 -0.09 -0.11 0.00 -1.37 0.00 0.00 64.86 63.29 3hk8 h ILE 42 Cb 0.00 0.70 -0.02 0.00 0.47 0.00 0.00 36.82 37.97 3hk8 h ILE 42 CO 0.00 0.05 -0.17 0.44 -3.07 0.00 0.00 178.15 175.40 3hk8 h ASP 43 N 0.28 0.80 -0.27 2.19 3.32 -1.94 -1.35 116.42 119.44 3hk8 h ASP 43 Ca 0.13 -0.27 -0.12 0.00 0.02 0.00 0.00 57.03 56.79 3hk8 h ASP 43 Cb 0.16 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.49 3hk8 h ASP 43 CO -0.03 0.97 -0.29 -0.33 -1.72 0.00 0.00 179.24 177.84 3hk8 h GLU 44 N 0.71 0.68 -0.54 3.56 4.39 -1.59 -2.25 114.58 119.53 3hk8 h GLU 44 Ca 0.11 -0.36 0.05 0.00 0.34 0.00 0.00 59.36 59.50 3hk8 h GLU 44 Cb 0.67 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.29 3hk8 h GLU 44 CO 0.05 0.97 0.27 -0.07 -1.16 0.00 0.00 179.01 179.07 3hk8 h LEU 45 N 0.41 0.38 -1.07 1.33 3.38 -1.10 -2.12 115.31 116.51 3hk8 h LEU 45 Ca 0.04 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 3hk8 h LEU 45 Cb 0.86 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 3hk8 h LEU 45 CO 0.07 0.25 -0.33 -0.07 0.09 0.00 0.00 178.44 178.46 3hk8 h LEU 46 N 0.51 0.00 -2.56 1.67 3.38 -1.20 -2.95 115.31 114.16 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 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3hk8 h LEU 46 CO -0.18 0.33 0.00 0.35 0.09 0.00 0.00 178.44 179.03 3hk8 n THR 47 N -3.55 1.28 -1.66 0.22 -2.24 -0.85 -4.71 114.28 102.76 3hk8 n THR 47 Ca -0.00 -0.94 -0.44 0.00 -2.27 0.00 0.00 64.05 60.40 3hk8 n THR 47 Cb 0.46 0.20 -0.01 0.00 -2.10 0.00 0.00 70.33 68.89 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 1.10 1.98 0.31 4.78 9.36 -0.85 -4.75 117.16 129.09 3hk8 n TYR 48 Ca 0.22 0.58 0.18 0.00 3.32 0.00 0.00 57.90 62.19 3hk8 n TYR 48 Cb 0.68 -2.38 1.02 0.00 -0.63 0.00 0.00 39.34 38.04 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 2.67 0.00 -0.42 2.98 2.07 -1.92 -0.24 115.15 120.30 3hk8 h HIS 49 Ca -0.44 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.06 3hk8 h HIS 49 Cb 1.30 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.26 3hk8 h HIS 49 CO 0.51 0.00 0.18 1.88 -3.07 0.00 0.00 177.93 177.43 3hk8 h TYR 50 N 0.00 0.57 0.00 6.12 -1.99 -1.95 -2.23 116.97 117.49 3hk8 h TYR 50 Ca -0.00 -0.01 -0.10 0.00 2.00 0.00 0.00 58.73 60.61 3hk8 h TYR 50 Cb 0.02 -0.18 -0.02 0.00 2.00 0.00 0.00 36.73 38.55 3hk8 h TYR 50 CO 0.00 0.44 -0.74 -0.07 -0.00 0.00 0.00 178.16 177.79 3hk8 h LEU 51 N 0.58 0.00 -0.27 3.88 3.38 -1.35 -3.09 115.31 118.45 3hk8 h LEU 51 Ca 0.15 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 3hk8 h LEU 51 Cb 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3hk8 h LEU 51 CO -0.02 0.43 0.05 0.58 0.09 0.00 0.00 178.44 179.58 3hk8 h VAL 52 N 0.00 1.22 -0.71 1.22 2.07 -1.12 -0.17 116.25 118.76 3hk8 h VAL 52 Ca -0.05 -0.74 0.01 0.00 0.82 0.00 0.00 66.70 66.75 3hk8 h VAL 52 Cb 1.37 1.20 -0.04 0.00 -1.52 0.00 0.00 31.29 32.30 3hk8 h VAL 52 CO 0.05 0.24 0.46 0.00 0.02 0.00 0.00 177.57 178.34 3hk8 h ALA 53 N 0.88 0.91 -0.49 1.67 0.00 -1.51 -2.01 119.26 118.71 3hk8 h ALA 53 Ca 0.08 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 3hk8 h ALA 53 Cb 0.31 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3hk8 h ALA 53 CO 0.00 0.30 -0.12 0.93 0.00 0.00 0.00 179.25 180.36 3hk8 h GLU 54 N 0.94 0.94 -0.15 0.00 5.08 -1.42 -3.01 114.58 116.97 3hk8 h GLU 54 Ca 0.27 -0.36 -0.09 0.00 -1.00 0.00 0.00 59.36 58.17 3hk8 h GLU 54 Cb -0.08 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 3hk8 h GLU 54 CO -0.07 1.02 -0.30 -0.24 -1.00 0.00 0.00 179.01 178.42 3hk8 h VAL 55 N 0.80 1.27 0.00 3.13 3.04 -0.81 -2.43 116.25 121.24 3hk8 h VAL 55 Ca 0.12 -1.28 0.00 0.00 -1.01 0.00 0.00 66.70 64.54 3hk8 h VAL 55 Cb 0.68 1.49 0.00 0.00 -2.01 0.00 0.00 31.29 31.45 3hk8 h VAL 55 CO 0.05 0.39 0.00 0.23 -1.01 0.00 0.00 177.57 177.23 3hk8 n MET 56 N -4.11 0.18 0.04 4.17 2.81 -0.78 -1.01 117.12 118.42 3hk8 n MET 56 Ca -0.01 0.51 0.13 0.00 -1.81 0.00 0.00 57.70 56.52 3hk8 n MET 56 Cb 0.41 -1.91 0.44 0.00 -0.71 0.00 0.00 33.22 31.44 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 -2.26 0.12 -0.02 0.03 1.74 -0.91 -4.42 116.66 110.93 3hk8 n ARG 57 Ca 0.01 0.07 -0.05 0.00 -0.77 0.00 0.00 57.85 57.11 3hk8 n ARG 57 Cb 0.16 -1.61 -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 -1.80 0.00 -2.06 -1.55 7.02 -0.39 -5.09 117.44 113.57 3hk8 n TRP 58 Ca 0.06 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.18 3hk8 n TRP 58 Cb 0.38 -0.16 0.02 0.00 -2.42 0.00 0.00 31.31 29.13 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 -2.08 2.71 -1.77 -0.99 -1.32 -0.18 -4.93 115.64 107.07 3hk8 s THR 59 Ca -0.06 0.47 0.26 0.00 -1.21 0.00 0.00 61.69 61.15 3hk8 s THR 59 Cb 0.02 -3.20 0.26 0.00 -1.51 0.00 0.00 72.50 68.07 3hk8 s THR 59 CO 0.08 -0.07 1.55 0.47 -2.21 0.00 0.00 174.62 174.44 3hk8 n ASP 60 N -1.31 1.07 -4.71 8.08 8.00 -1.26 -4.86 116.55 121.55 3hk8 n ASP 60 Ca 0.12 -0.92 -0.42 0.00 0.71 0.00 0.00 54.79 54.28 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 -2.50 3.59 0.73 2.53 1.01 -1.26 -4.99 120.40 119.51 3hk8 s VAL 61 Ca 0.24 1.13 -0.13 0.00 0.00 0.00 0.00 61.98 63.22 3hk8 s VAL 61 Cb 0.19 -3.73 0.04 0.00 0.00 0.00 0.00 36.38 32.88 3hk8 s VAL 61 CO 0.52 0.08 1.12 -0.94 0.00 0.00 0.00 175.10 175.88 3hk8 s SER 62 N 1.15 4.57 0.34 3.32 1.04 -1.26 -4.85 113.70 118.02 3hk8 s SER 62 Ca 0.62 2.01 0.03 0.00 0.48 0.00 0.00 55.95 59.10 3hk8 s SER 62 Cb -0.34 -2.55 0.60 0.00 0.10 0.00 0.00 66.02 63.83 3hk8 s SER 62 CO 0.29 -1.99 1.90 -0.29 0.98 0.00 0.00 173.24 174.14 3hk8 h ILE 63 N -0.56 1.19 -0.14 -1.02 6.09 -1.96 -0.99 117.51 120.11 3hk8 h ILE 63 Ca -0.45 -0.66 -0.01 0.00 -1.37 0.00 0.00 64.86 62.36 3hk8 h ILE 63 Cb 1.25 0.75 -0.01 0.00 0.47 0.00 0.00 36.82 39.29 3hk8 h ILE 63 CO 0.51 0.24 0.04 -0.33 -3.07 0.00 0.00 178.15 175.55 3hk8 h GLU 64 N 0.61 0.22 -0.60 2.19 3.07 -1.93 -1.72 114.58 116.43 3hk8 h GLU 64 Ca 0.14 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 58.95 3hk8 h GLU 64 Cb 0.23 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.07 3hk8 h GLU 64 CO -0.00 0.36 0.35 0.00 -1.40 0.00 0.00 179.01 178.31 3hk8 h ALA 65 N 0.86 1.50 -0.10 3.43 0.00 -1.84 -1.92 119.26 121.18 3hk8 h ALA 65 Ca 0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3hk8 h ALA 65 Cb 0.23 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3hk8 h ALA 65 CO -0.00 0.43 0.04 0.35 0.00 0.00 0.00 179.25 180.07 3hk8 h PHE 66 N 0.82 0.15 0.00 0.00 3.57 -0.84 -2.17 116.94 118.48 3hk8 h PHE 66 Ca 0.21 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.70 3hk8 h PHE 66 Cb -0.02 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 38.67 3hk8 h PHE 66 CO 0.00 0.27 0.00 -1.49 -2.23 0.00 0.00 178.31 174.86 3hk8 h TRP 67 N -0.00 0.00 0.00 0.41 -0.00 -0.94 -2.25 115.95 113.17 3hk8 h TRP 67 Ca 0.03 0.00 -0.05 0.00 -0.00 0.00 0.00 58.89 58.87 3hk8 h TRP 67 Cb 0.18 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.33 3hk8 h TRP 67 CO -0.01 0.00 -0.62 0.00 -0.00 0.00 0.00 178.44 177.81 3hk8 h ALA 68 N 2.03 0.73 -2.30 1.49 0.00 -0.83 -3.46 119.26 116.91 3hk8 h ALA 68 Ca 0.00 -0.25 -0.50 0.00 0.00 0.00 0.00 54.91 54.15 3hk8 h ALA 68 Cb 0.30 0.03 0.15 0.00 0.00 0.00 0.00 17.79 18.26 3hk8 h ALA 68 CO 0.00 0.31 0.27 -1.64 0.00 0.00 0.00 179.25 178.19 3hk8 s MET 69 N -3.14 1.63 0.76 0.00 -1.94 -0.85 -5.02 119.30 110.74 3hk8 s MET 69 Ca 0.03 1.15 -0.12 0.00 -1.71 0.00 0.00 55.69 55.04 3hk8 s MET 69 Cb 0.07 -1.83 0.05 0.00 2.01 0.00 0.00 34.83 35.13 3hk8 s MET 69 CO 0.74 -2.07 1.12 -1.54 -0.01 0.00 0.00 175.02 173.26 3hk8 s SER 70 N -3.22 4.93 0.45 3.03 1.04 -1.26 -4.82 113.70 113.84 3hk8 s SER 70 Ca 0.63 1.06 0.14 0.00 0.48 0.00 0.00 55.95 58.26 3hk8 s SER 70 Cb -0.19 -1.75 1.00 0.00 0.10 0.00 0.00 66.02 65.18 3hk8 s SER 70 CO 0.57 -1.66 2.00 0.50 0.98 0.00 0.00 173.24 175.63 3hk8 h LYS 71 N -0.88 0.05 -0.40 4.02 3.64 -1.96 -1.15 116.57 119.89 3hk8 h LYS 71 Ca -0.46 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 58.86 3hk8 h LYS 71 Cb 1.28 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.08 3hk8 h LYS 71 CO 0.64 0.19 0.04 -0.09 -2.27 0.00 0.00 179.45 177.95 3hk8 h ARG 72 N 0.05 0.68 -0.41 1.90 2.43 -1.94 -1.54 114.38 115.54 3hk8 h ARG 72 Ca 0.01 -0.20 -0.15 0.00 -0.81 0.00 0.00 59.98 58.83 3hk8 h ARG 72 Cb 0.28 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 3hk8 h ARG 72 CO 0.02 0.75 -0.32 0.93 -1.51 0.00 0.00 179.97 179.83 3hk8 h GLU 73 N 0.52 0.93 -0.36 0.20 5.08 -1.78 -1.22 114.58 117.96 3hk8 h GLU 73 Ca 0.12 -0.45 -0.01 0.00 -1.00 0.00 0.00 59.36 58.01 3hk8 h GLU 73 Cb 0.42 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 3hk8 h GLU 73 CO 0.01 1.11 0.19 1.96 -1.00 0.00 0.00 179.01 181.28 3hk8 h GLN 74 N 0.78 0.51 -0.89 2.33 4.20 -1.16 -0.47 115.11 120.41 3hk8 h GLN 74 Ca 0.08 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 3hk8 h GLN 74 Cb 0.91 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.55 3hk8 h GLN 74 CO 0.08 0.44 0.53 0.00 -0.67 0.00 0.00 178.83 179.21 3hk8 h ALA 75 N 1.04 1.13 -0.54 3.87 0.00 -1.16 -0.49 119.26 123.12 3hk8 h ALA 75 Ca 0.12 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 3hk8 h ALA 75 Cb 0.08 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3hk8 h ALA 75 CO -0.02 0.60 -0.08 -0.44 0.00 0.00 0.00 179.25 179.31 3hk8 h ASP 76 N 1.22 0.98 -0.07 0.00 3.32 -0.86 -1.37 116.42 119.64 3hk8 h ASP 76 Ca 0.32 -0.31 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 3hk8 h ASP 76 Cb -0.04 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.24 3hk8 h ASP 76 CO -0.06 1.08 0.02 0.25 -1.72 0.00 0.00 179.24 178.81 3hk8 h LEU 77 N 0.89 0.11 -1.05 1.55 5.85 -0.55 -1.61 115.31 120.50 3hk8 h LEU 77 Ca 0.15 -0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.62 3hk8 h LEU 77 Cb 0.63 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 3hk8 h LEU 77 CO 0.04 0.29 0.29 0.40 -0.34 0.00 0.00 178.44 179.13 3hk8 h ILE 78 N -0.08 1.23 -0.27 4.05 2.04 -1.05 0.72 117.51 124.15 3hk8 h ILE 78 Ca 0.02 -0.68 -0.03 0.00 1.00 0.00 0.00 64.86 65.18 3hk8 h ILE 78 Cb 0.22 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 3hk8 h ILE 78 CO -0.00 0.28 0.07 -0.25 0.00 0.00 0.00 178.15 178.25 3hk8 h TRP 79 N 0.96 0.46 0.11 1.37 2.91 -1.16 -0.25 115.95 120.35 3hk8 h TRP 79 Ca 0.23 -0.05 -0.01 0.00 1.13 0.00 0.00 58.89 60.19 3hk8 h TRP 79 Cb 0.15 -0.13 0.00 0.00 -0.51 0.00 0.00 29.16 28.67 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 -0.15 -0.33 2.65 4.57 -0.91 -0.67 114.58 120.02 3hk8 h GLU 80 Ca 0.09 0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.23 3hk8 h GLU 80 Cb 0.28 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 0.01 0.93 -1.18 0.00 0.00 179.01 178.87 3hk8 h GLU 81 N -0.38 0.57 0.00 1.92 4.39 -0.86 0.57 114.58 120.78 3hk8 h GLU 81 Ca -0.02 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.51 3hk8 h GLU 81 Cb 0.31 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 3hk8 h GLU 81 CO 0.03 0.69 -1.54 1.28 -1.16 0.00 0.00 179.01 178.31 3hk8 n LEU 82 N -4.55 0.37 -0.04 1.33 4.77 -0.11 -3.79 117.00 114.98 3hk8 n LEU 82 Ca -0.02 0.03 -0.05 0.00 -0.03 0.00 0.00 56.01 55.94 3hk8 n LEU 82 Cb 0.26 -0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.26 3hk8 n LEU 82 CO 0.39 -0.01 -0.80 0.49 -1.33 0.00 0.00 177.39 176.13 3hk8 n PHE 83 N -2.24 0.00 -0.12 -1.77 3.72 -0.30 -3.32 117.46 113.43 3hk8 n PHE 83 Ca -0.01 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.13 3hk8 n PHE 83 Cb 0.52 -0.41 -0.11 0.00 -0.94 0.00 0.00 39.48 38.55 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 -2.48 1.55 0.19 4.37 2.08 -0.95 -4.37 119.36 119.74 3hk8 n ILE 84 Ca -0.15 -0.28 0.07 0.00 0.56 0.00 0.00 62.75 62.94 3hk8 n ILE 84 Cb 0.74 -1.90 0.32 0.00 -0.75 0.00 0.00 39.64 38.06 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 -0.85 0.00 -3.86 0.38 1.57 -1.04 -3.44 116.57 109.32 3hk8 h LYS 85 Ca -0.54 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.09 3hk8 h LYS 85 Cb 1.55 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 33.67 3hk8 h LYS 85 CO -0.29 0.34 -0.60 1.03 -0.57 0.00 0.00 179.45 179.36 3hk8 s ARG 86 N -3.50 0.47 0.32 3.15 3.00 -1.25 -5.06 118.95 116.09 3hk8 s ARG 86 Ca 0.01 -0.69 -0.29 0.00 0.00 0.00 0.00 55.73 54.76 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 0.68 -0.10 1.28 -1.12 0.00 0.00 0.00 175.30 176.04 3hk8 s SER 87 N -1.85 6.83 -1.44 0.23 0.01 -1.26 -3.61 113.70 112.61 3hk8 s SER 87 Ca -0.09 2.63 -0.10 0.00 1.31 0.00 0.00 55.95 59.70 3hk8 s SER 87 Cb -0.04 -2.65 -0.07 0.00 0.21 0.00 0.00 66.02 63.47 3hk8 s SER 87 CO -0.03 -0.49 2.69 -0.81 0.41 0.00 0.00 173.24 175.01 3hk8 n PRO 88 N 0.91 3.23 0.06 12.44 -0.04 -1.21 -4.64 135.00 145.76 3hk8 n PRO 88 Ca 0.00 -2.07 0.13 0.00 -0.04 0.00 0.00 63.50 61.51 3hk8 n PRO 88 Cb 0.42 -2.78 0.32 0.00 -0.04 0.00 0.00 33.50 31.43 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 3.92 0.36 -1.12 0.52 0.24 -1.26 -3.61 118.33 117.37 3hk8 n VAL 89 Ca 0.69 -0.21 -0.31 0.00 -2.04 0.00 0.00 64.34 62.46 3hk8 n VAL 89 Cb 0.23 -0.30 0.11 0.00 -1.47 0.00 0.00 33.84 32.41 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 -4.04 3.99 0.21 -1.34 1.04 -1.26 -4.75 113.70 107.55 3hk8 s SER 90 Ca 0.09 2.00 -0.10 0.00 0.48 0.00 0.00 55.95 58.43 3hk8 s SER 90 Cb 0.14 -2.54 0.19 0.00 0.10 0.00 0.00 66.02 63.91 3hk8 s SER 90 CO 0.65 -2.39 1.84 -0.08 0.98 0.00 0.00 173.24 174.25 3hk8 h GLU 91 N -1.23 0.82 -0.55 4.02 4.57 -1.97 0.35 114.58 120.59 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 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 29.64 3hk8 h GLU 91 CO 0.48 0.54 -0.10 0.00 -1.18 0.00 0.00 179.01 178.75 3hk8 h ALA 92 N 1.30 0.77 -0.40 2.92 0.00 -1.95 -0.93 119.26 120.97 3hk8 h ALA 92 Ca 0.28 -0.35 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 3hk8 h ALA 92 Cb 0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3hk8 h ALA 92 CO -0.11 0.67 -0.22 0.00 0.00 0.00 0.00 179.25 179.59 3hk8 h ARG 94 N 0.67 0.98 -0.83 0.00 2.43 -0.84 -2.24 114.38 114.55 3hk8 h ARG 94 Ca 0.09 -0.06 0.06 0.00 -0.81 0.00 0.00 59.98 59.25 3hk8 h ARG 94 Cb 0.79 -0.22 -0.06 0.00 -0.42 0.00 0.00 29.97 30.06 3hk8 h ARG 94 CO 0.06 0.65 0.51 0.78 -1.51 0.00 0.00 179.97 180.47 3hk8 h GLY 95 N 1.01 1.24 0.90 2.80 0.00 -0.78 -1.51 103.07 106.73 3hk8 h GLY 95 Ca 0.36 -0.37 0.02 0.00 0.00 0.00 0.00 47.33 47.33 3hk8 h GLY 95 CO -0.15 0.26 0.26 -2.08 0.00 0.00 0.00 176.54 174.84 3hk8 h VAL 96 N 0.95 1.05 -0.63 4.60 2.07 -1.08 -1.58 116.25 121.62 3hk8 h VAL 96 Ca 0.36 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.68 3hk8 h VAL 96 Cb 0.15 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 3hk8 h VAL 96 CO -0.16 0.10 0.31 -0.07 0.02 0.00 0.00 177.57 177.76 3hk8 h LEU 97 N 0.52 0.82 -0.96 2.57 3.38 -1.25 -1.59 115.31 118.80 3hk8 h LEU 97 Ca 0.17 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 58.05 3hk8 h LEU 97 Cb 0.01 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.49 3hk8 h LEU 97 CO -0.08 0.71 0.63 0.74 0.09 0.00 0.00 178.44 180.53 3hk8 h THR 98 N 0.86 1.18 -0.40 0.22 2.02 -0.94 -0.76 112.91 115.09 3hk8 h THR 98 Ca 0.22 -0.42 -0.03 0.00 0.77 0.00 0.00 66.41 66.94 3hk8 h THR 98 Cb 0.10 -0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 66.33 3hk8 h THR 98 CO -0.03 0.23 0.13 0.00 0.37 0.00 0.00 175.52 176.22 3hk8 h LEU 100 N 0.49 -0.50 -0.92 0.00 3.38 -0.66 -1.93 115.31 115.18 3hk8 h LEU 100 Ca 0.13 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.14 3hk8 h LEU 100 Cb 0.24 0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.10 3hk8 h LEU 100 CO -0.01 -0.31 0.61 -0.61 0.09 0.00 0.00 178.44 178.21 3hk8 h GLN 101 N -0.48 1.20 0.00 1.13 4.15 -1.12 -0.87 115.11 119.12 3hk8 h GLN 101 Ca -0.03 -0.07 -0.03 0.00 0.77 0.00 0.00 58.65 59.29 3hk8 h GLN 101 Cb 0.41 -0.27 -0.00 0.00 0.21 0.00 0.00 27.48 27.82 3hk8 h GLN 101 CO 0.02 0.79 -0.14 0.78 -1.93 0.00 0.00 178.83 178.35 3hk8 h GLY 102 N 1.24 0.00 0.90 2.39 0.00 -0.94 -1.05 103.07 105.60 3hk8 h GLY 102 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.67 3hk8 h GLY 102 CO -0.08 0.00 -0.06 1.04 0.00 0.00 0.00 176.54 177.44 3hk8 n LEU 103 N -4.31 0.40 0.00 3.11 4.77 -0.74 -4.89 117.00 115.34 3hk8 n LEU 103 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 3hk8 n LEU 103 Cb 0.21 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3hk8 n LEU 103 CO 0.35 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 3hk8 n GLY 104 N 1.22 0.61 3.88 -0.72 0.00 -0.40 -5.07 105.19 104.71 3hk8 n GLY 104 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 3.10 -0.39 0.99 1.43 -0.40 -4.98 118.68 118.43 3hk8 s LEU 105 Ca 0.00 1.18 -0.03 0.00 -1.03 0.00 0.00 54.13 54.25 3hk8 s LEU 105 Cb 0.00 -4.08 0.10 0.00 0.03 0.00 0.00 46.19 42.24 3hk8 s LEU 105 CO 0.00 -1.10 0.17 -0.62 0.23 0.00 0.00 176.35 175.03 3hk8 s ASP 106 N -4.27 5.19 0.64 2.29 2.15 -1.26 -3.77 116.67 117.64 3hk8 s ASP 106 Ca 0.56 -1.89 0.43 0.00 0.43 0.00 0.00 52.55 52.08 3hk8 s ASP 106 Cb -0.11 -1.81 2.34 0.00 -0.30 0.00 0.00 42.92 43.05 3hk8 s ASP 106 CO 0.51 -0.49 2.32 -0.65 -0.17 0.00 0.00 175.17 176.70 3hk8 h PRO 107 N 8.04 0.00 -0.19 4.34 0.11 -1.91 -2.43 132.00 139.95 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 0.66 0.00 -0.05 0.00 -0.21 0.00 0.00 178.00 178.41 3hk8 h ALA 108 N 2.00 1.58 0.00 -0.75 0.00 -2.01 -2.66 119.26 117.41 3hk8 h ALA 108 Ca 0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 3hk8 h ALA 108 Cb 0.01 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3hk8 h ALA 108 CO 0.00 0.31 -0.17 1.79 0.00 0.00 0.00 179.25 181.18 3hk8 h THR 109 N 0.28 0.26 -2.74 0.00 1.35 -1.88 -3.47 112.91 106.71 3hk8 h THR 109 Ca 0.06 -1.37 -0.33 0.00 -0.55 0.00 0.00 66.41 64.22 3hk8 h THR 109 Cb 0.27 2.12 -0.05 0.00 -1.73 0.00 0.00 68.15 68.75 3hk8 h THR 109 CO 0.01 0.15 -0.39 0.54 -0.25 0.00 0.00 175.52 175.58 3hk8 n ARG 110 N -3.13 -1.78 -2.98 4.72 1.74 -1.01 -4.89 116.66 109.34 3hk8 n ARG 110 Ca 0.03 0.85 -0.44 0.00 -0.77 0.00 0.00 57.85 57.52 3hk8 n ARG 110 Cb 0.59 -5.38 -0.02 0.00 -1.02 0.00 0.00 32.46 26.63 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 -2.15 6.75 0.37 0.55 -1.08 -1.26 -4.88 116.67 114.97 3hk8 s ASP 111 Ca 0.00 -2.33 0.04 0.00 -0.52 0.00 0.00 52.55 49.74 3hk8 s ASP 111 Cb 0.00 -2.38 0.72 0.00 -1.46 0.00 0.00 42.92 39.80 3hk8 s ASP 111 CO 0.00 -0.94 2.01 0.25 0.52 0.00 0.00 175.17 177.01 3hk8 h LEU 112 N 9.94 0.66 -0.65 -1.34 5.85 -1.98 -1.89 115.31 125.89 3hk8 h LEU 112 Ca 0.19 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.83 3hk8 h LEU 112 Cb 0.99 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.84 3hk8 h LEU 112 CO 1.10 0.46 0.15 1.56 -0.34 0.00 0.00 178.44 181.37 3hk8 h GLN 113 N 0.77 1.05 -0.54 1.25 1.08 -2.00 -1.77 115.11 114.95 3hk8 h GLN 113 Ca 0.24 -0.25 -0.10 0.00 -1.45 0.00 0.00 58.65 57.09 3hk8 h GLN 113 Cb 0.02 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.30 3hk8 h GLN 113 CO -0.06 0.94 -0.05 0.28 -0.95 0.00 0.00 178.83 178.99 3hk8 h VAL 114 N 0.97 1.27 -0.74 -0.54 2.07 -1.81 -2.92 116.25 114.54 3hk8 h VAL 114 Ca 0.20 -1.18 -0.02 0.00 0.82 0.00 0.00 66.70 66.53 3hk8 h VAL 114 Cb 0.37 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 3hk8 h VAL 114 CO 0.00 0.42 0.40 1.88 0.02 0.00 0.00 177.57 180.29 3hk8 h TYR 115 N 0.86 1.02 -0.37 1.57 0.05 -1.13 -2.19 116.97 116.78 3hk8 h TYR 115 Ca 0.15 -0.03 0.04 0.00 0.05 0.00 0.00 58.73 58.94 3hk8 h TYR 115 Cb 0.60 -0.33 -0.02 0.00 1.01 0.00 0.00 36.73 37.99 3hk8 h TYR 115 CO 0.04 0.72 0.25 0.00 -1.05 0.00 0.00 178.16 178.13 3hk8 h ARG 116 N 1.02 0.32 -0.81 4.88 3.08 -1.20 -2.26 114.38 119.43 3hk8 h ARG 116 Ca 0.26 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.32 3hk8 h ARG 116 Cb 0.05 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 29.98 3hk8 h ARG 116 CO -0.04 0.21 0.52 0.93 -1.07 0.00 0.00 179.97 180.52 3hk8 h GLU 117 N 0.33 1.00 -0.73 0.04 4.39 -1.21 -2.60 114.58 115.79 3hk8 h GLU 117 Ca 0.16 -0.06 0.11 0.00 0.34 0.00 0.00 59.36 59.91 3hk8 h GLU 117 Cb 0.21 -0.22 -0.08 0.00 -0.10 0.00 0.00 28.75 28.55 3hk8 h GLU 117 CO -0.03 0.66 0.34 -0.92 -1.16 0.00 0.00 179.01 177.90 3hk8 h TYR 118 N 1.03 0.60 0.05 4.33 3.20 -1.43 -2.95 116.97 121.80 3hk8 h TYR 118 Ca 0.32 0.03 -0.24 0.00 3.14 0.00 0.00 58.73 61.98 3hk8 h TYR 118 Cb -0.02 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.09 3hk8 h TYR 118 CO -0.02 0.17 -1.05 0.74 -1.64 0.00 0.00 178.16 176.36 3hk8 h PHE 119 N 0.55 0.54 0.00 -3.82 0.04 -1.56 -3.32 116.94 109.37 3hk8 h PHE 119 Ca 0.38 -0.33 0.00 0.00 2.80 0.00 0.00 57.97 60.82 3hk8 h PHE 119 Cb 0.47 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.57 3hk8 h PHE 119 CO -0.12 1.18 0.00 0.00 -0.60 0.00 0.00 178.31 178.77 3hk8 h ALA 120 N 0.70 1.00 -0.63 2.45 0.00 -1.29 -2.85 119.26 118.63 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 1.71 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.50 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 -2.99 3.67 -4.37 0.00 2.85 -1.21 -4.96 118.16 111.15 3hk8 n LYS 121 Ca -0.01 -2.78 -0.19 0.00 -1.05 0.00 0.00 58.31 54.28 3hk8 n LYS 121 Cb 0.18 -1.89 -0.10 0.00 -0.65 0.00 0.00 35.03 32.57 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 -1.85 1.40 0.30 -1.58 1.02 -1.08 -5.14 119.74 112.81 3hk8 s LYS 122 Ca 0.50 -1.66 0.06 0.00 0.02 0.00 0.00 55.97 54.89 3hk8 s LYS 122 Cb 0.32 -1.06 -0.02 0.00 -0.52 0.00 0.00 37.83 36.55 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 -3.04 4.49 0.19 2.17 -4.23 -1.26 -4.97 115.64 108.98 3hk8 s THR 123 Ca 0.25 -1.00 -0.12 0.00 -1.18 0.00 0.00 61.69 59.64 3hk8 s THR 123 Cb 0.02 -3.56 0.11 0.00 1.34 0.00 0.00 72.50 70.40 3hk8 s THR 123 CO 0.08 -0.22 1.86 0.77 -0.54 0.00 0.00 174.62 176.57 3hk8 h SER 124 N 1.00 0.75 -0.98 3.99 4.64 -1.97 -1.30 113.55 119.67 3hk8 h SER 124 Ca -0.48 -0.02 0.06 0.00 -0.47 0.00 0.00 61.79 60.88 3hk8 h SER 124 Cb 1.25 -0.19 -0.06 0.00 -0.31 0.00 0.00 62.40 63.09 3hk8 h SER 124 CO 0.56 0.54 0.64 -0.33 -0.87 0.00 0.00 176.83 177.37 3hk8 h GLU 125 N 0.88 1.13 -0.34 4.77 3.07 -1.95 0.14 114.58 122.28 3hk8 h GLU 125 Ca 0.24 -0.07 -0.12 0.00 -0.50 0.00 0.00 59.36 58.91 3hk8 h GLU 125 Cb -0.09 -0.25 -0.01 0.00 -0.84 0.00 0.00 28.75 27.55 3hk8 h GLU 125 CO -0.05 0.75 -0.24 0.93 -1.40 0.00 0.00 179.01 179.00 3hk8 h GLU 126 N 1.16 0.76 -0.20 2.33 5.08 -1.79 -2.49 114.58 119.43 3hk8 h GLU 126 Ca 0.42 -0.37 -0.09 0.00 -1.00 0.00 0.00 59.36 58.32 3hk8 h GLU 126 Cb 0.14 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 3hk8 h GLU 126 CO -0.16 0.99 -0.27 0.37 -1.00 0.00 0.00 179.01 178.94 3hk8 h GLN 127 N 0.54 0.38 -0.45 2.33 5.75 -0.72 -1.06 115.11 121.88 3hk8 h GLN 127 Ca 0.07 -0.14 -0.05 0.00 -0.15 0.00 0.00 58.65 58.38 3hk8 h GLN 127 Cb 0.80 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.31 3hk8 h GLN 127 CO 0.06 0.62 0.09 0.28 -2.65 0.00 0.00 178.83 177.24 3hk8 h VAL 128 N 0.33 1.24 -0.49 2.39 2.07 -0.88 0.95 116.25 121.87 3hk8 h VAL 128 Ca 0.05 -0.85 -0.02 0.00 0.82 0.00 0.00 66.70 66.70 3hk8 h VAL 128 Cb 0.65 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 3hk8 h VAL 128 CO 0.05 0.30 0.25 0.44 0.02 0.00 0.00 177.57 178.62 3hk8 h ASP 129 N 0.60 0.64 0.49 0.57 3.32 -1.13 -1.67 116.42 119.24 3hk8 h ASP 129 Ca 0.14 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 3hk8 h ASP 129 Cb 0.35 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.74 3hk8 h ASP 129 CO 0.00 0.58 -0.23 0.74 -1.72 0.00 0.00 179.24 178.61 3hk8 h THR 130 N 0.65 0.52 -0.15 0.35 2.02 -0.89 -2.54 112.91 112.88 3hk8 h THR 130 Ca 0.17 -0.05 -0.00 0.00 0.77 0.00 0.00 66.41 67.30 3hk8 h THR 130 Cb 0.10 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 3hk8 h THR 130 CO -0.02 0.01 0.09 0.58 0.37 0.00 0.00 175.52 176.54 3hk8 h VAL 131 N -0.68 1.09 -0.23 3.16 2.07 -0.78 -0.96 116.25 119.92 3hk8 h VAL 131 Ca -0.07 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 3hk8 h VAL 131 Cb 0.51 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 3hk8 h VAL 131 CO 0.11 0.08 0.08 -0.07 0.02 0.00 0.00 177.57 177.79 3hk8 h LEU 132 N 0.15 0.29 -0.05 2.57 3.38 -1.36 0.26 115.31 120.54 3hk8 h LEU 132 Ca 0.05 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3hk8 h LEU 132 Cb 0.05 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 3hk8 h LEU 132 CO -0.01 0.28 -0.06 -0.61 0.09 0.00 0.00 178.44 178.14 3hk8 h GLN 133 N 0.33 0.13 -0.47 1.13 -0.00 -1.15 0.43 115.11 115.51 3hk8 h GLN 133 Ca 0.08 -0.07 -0.01 0.00 -0.00 0.00 0.00 58.65 58.65 3hk8 h GLN 133 Cb 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 27.56 3hk8 h GLN 133 CO -0.01 0.59 0.24 -0.07 0.00 0.00 0.00 178.83 179.58 3hk8 h LEU 134 N -0.32 0.60 -0.06 -2.39 3.38 -0.61 -2.55 115.31 113.36 3hk8 h LEU 134 Ca 0.01 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3hk8 h LEU 134 Cb 0.56 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3hk8 h LEU 134 CO 0.01 0.54 -0.05 0.00 0.09 0.00 0.00 178.44 179.04 3hk8 n ALA 135 N -2.29 2.58 -3.80 1.53 0.00 0.85 -4.92 120.51 114.46 3hk8 n ALA 135 Ca 0.01 -0.18 -0.24 0.00 0.00 0.00 0.00 53.44 53.03 3hk8 n ALA 135 Cb 0.10 -1.44 0.02 0.00 0.00 0.00 0.00 19.45 18.14 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 -1.24 -2.11 -4.45 0.00 5.15 0.02 -4.80 115.26 107.84 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 0.27 -3.87 -0.12 0.00 -0.53 0.00 0.00 39.78 35.52 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 -3.60 4.41 -0.06 3.44 1.01 -0.50 -0.20 120.40 124.90 3hk8 s VAL 137 Ca 0.20 -0.24 0.11 0.00 0.00 0.00 0.00 61.98 62.05 3hk8 s VAL 137 Cb -0.10 -3.12 -0.23 0.00 0.00 0.00 0.00 36.38 32.93 3hk8 s VAL 137 CO 0.83 0.26 0.59 -1.54 0.00 0.00 0.00 175.10 175.24 3hk8 n SER 138 N 4.94 0.97 -3.86 3.32 3.41 0.66 -4.74 113.62 118.32 3hk8 n SER 138 Ca -0.15 0.37 -0.15 0.00 -0.26 0.00 0.00 58.87 58.67 3hk8 n SER 138 Cb 0.51 -0.10 -0.15 0.00 -0.26 0.00 0.00 64.21 64.21 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 -6.17 0.34 -0.09 4.04 1.01 -1.04 -4.73 116.67 110.04 3hk8 s ASP 139 Ca -0.07 -0.03 0.04 0.00 0.71 0.00 0.00 52.55 53.20 3hk8 s ASP 139 Cb 0.08 -0.13 -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 0.52 2.22 -0.25 -1.27 1.01 0.12 -0.08 120.40 122.68 3hk8 s VAL 140 Ca -0.05 -0.98 -0.09 0.00 0.00 0.00 0.00 61.98 60.86 3hk8 s VAL 140 Cb -0.08 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 3hk8 s VAL 140 CO -0.01 0.56 0.12 -0.69 0.00 0.00 0.00 175.10 175.08 3hk8 s VAL 141 N 0.13 4.85 0.76 2.92 1.01 0.03 0.16 120.40 130.27 3hk8 s VAL 141 Ca -0.12 0.01 -0.08 0.00 0.00 0.00 0.00 61.98 61.79 3hk8 s VAL 141 Cb -0.16 -3.27 0.09 0.00 0.00 0.00 0.00 36.38 33.05 3hk8 s VAL 141 CO 0.06 0.33 1.09 -0.04 0.00 0.00 0.00 175.10 176.55 3hk8 s MET 142 N 1.38 1.85 -0.29 2.72 -1.94 0.82 -1.56 119.30 122.28 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 0.07 0.00 2.01 0.00 0.00 34.83 34.66 3hk8 s MET 142 CO 0.06 -1.51 -0.05 0.99 -0.01 0.00 0.00 175.02 174.49 3hk8 s THR 143 N -3.39 2.41 -0.32 2.05 2.01 -1.14 -3.51 115.64 113.74 3hk8 s THR 143 Ca 0.63 -1.70 -0.04 0.00 0.31 0.00 0.00 61.69 60.89 3hk8 s THR 143 Cb -0.09 -2.47 0.04 0.00 0.01 0.00 0.00 72.50 69.99 3hk8 s THR 143 CO 0.47 -0.16 0.05 0.20 -0.69 0.00 0.00 174.62 174.50 3hk8 s ASN 144 N 1.13 5.12 -0.43 3.53 0.01 -0.25 -4.95 114.94 119.09 3hk8 s ASN 144 Ca -0.05 -1.19 -0.12 0.00 -0.71 0.00 0.00 52.86 50.79 3hk8 s ASN 144 Cb -0.20 -1.80 0.06 0.00 0.41 0.00 0.00 41.25 39.73 3hk8 s ASN 144 CO -0.05 -0.29 0.31 -0.62 -1.51 0.00 0.00 177.10 174.94 3hk8 s ASP 145 N 1.33 5.90 0.00 -1.22 2.15 -1.26 -1.37 116.67 122.20 3hk8 s ASP 145 Ca -0.03 -1.30 0.11 0.00 0.43 0.00 0.00 52.55 51.76 3hk8 s ASP 145 Cb -0.20 -2.09 0.56 0.00 -0.30 0.00 0.00 42.92 40.90 3hk8 s ASP 145 CO 0.01 -0.55 1.19 -0.81 -0.17 0.00 0.00 175.17 174.84 3hk8 n PRO 146 N 5.07 0.20 0.00 4.34 -0.04 -1.26 -1.90 135.00 141.41 3hk8 n PRO 146 Ca -0.11 0.14 0.12 0.00 -0.04 0.00 0.00 63.50 63.60 3hk8 n PRO 146 Cb 0.44 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.60 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 -1.21 0.00 -3.21 0.54 3.72 -1.26 -4.71 117.46 111.33 3hk8 n PHE 147 Ca 0.06 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.07 3hk8 n PHE 147 Cb 0.07 -0.08 -0.06 0.00 -0.94 0.00 0.00 39.48 38.47 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 -2.57 6.64 0.20 4.37 2.15 -0.80 -4.97 116.67 121.69 3hk8 s ASP 148 Ca 0.20 0.77 -0.11 0.00 0.43 0.00 0.00 52.55 53.84 3hk8 s ASP 148 Cb 0.18 -2.31 0.19 0.00 -0.30 0.00 0.00 42.92 40.68 3hk8 s ASP 148 CO 0.58 -0.18 1.81 0.44 -0.17 0.00 0.00 175.17 177.64 3hk8 h ASP 149 N 7.33 0.51 -0.89 -0.34 3.32 -1.88 -1.86 116.42 122.60 3hk8 h ASP 149 Ca -0.34 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 56.71 3hk8 h ASP 149 Cb 1.16 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 40.59 3hk8 h ASP 149 CO 0.75 0.34 0.49 0.78 -1.72 0.00 0.00 179.24 179.88 3hk8 h ASN 150 N 0.64 1.12 0.26 6.45 2.35 -1.95 -3.17 115.58 121.27 3hk8 h ASN 150 Ca 0.27 -0.10 -0.19 0.00 -0.55 0.00 0.00 56.30 55.72 3hk8 h ASN 150 Cb 0.14 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.22 3hk8 h ASN 150 CO -0.16 0.90 -0.78 -0.33 -1.65 0.00 0.00 177.43 175.41 3hk8 h GLU 151 N 1.25 0.42 -0.59 0.81 5.08 -1.73 -3.24 114.58 116.58 3hk8 h GLU 151 Ca 0.31 -0.37 0.10 0.00 -1.00 0.00 0.00 59.36 58.41 3hk8 h GLU 151 Cb 0.03 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 3hk8 h GLU 151 CO -0.05 1.01 0.39 0.00 -1.00 0.00 0.00 179.01 179.37 3hk8 h ARG 152 N 0.28 0.37 -0.06 2.33 3.08 -1.32 -3.25 114.38 115.80 3hk8 h ARG 152 Ca -0.04 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 59.99 3hk8 h ARG 152 Cb 1.37 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.32 3hk8 h ARG 152 CO 0.13 0.24 -0.08 0.82 -1.07 0.00 0.00 179.97 180.02 3hk8 h ILE 153 N 0.38 0.00 -0.68 2.04 2.04 -1.64 0.36 117.51 120.01 3hk8 h ILE 153 Ca 0.27 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.27 3hk8 h ILE 153 Cb 0.56 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.54 3hk8 h ILE 153 CO -0.07 0.00 0.18 0.77 0.00 0.00 0.00 178.15 179.03 3hk8 h SER 154 N -0.05 0.06 -0.32 1.72 4.64 -1.78 0.91 113.55 118.73 3hk8 h SER 154 Ca 0.01 0.12 -0.05 0.00 -0.47 0.00 0.00 61.79 61.41 3hk8 h SER 154 Cb 0.08 0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 3hk8 h SER 154 CO -0.08 0.01 0.02 -0.50 -0.87 0.00 0.00 176.83 175.40 3hk8 h TRP 155 N 0.30 0.59 0.00 4.77 4.06 -1.60 0.83 115.95 124.90 3hk8 h TRP 155 Ca 0.37 -0.10 -0.08 0.00 2.06 0.00 0.00 58.89 61.14 3hk8 h TRP 155 Cb 0.58 -0.16 -0.01 0.00 -1.00 0.00 0.00 29.16 28.57 3hk8 h TRP 155 CO -0.24 0.66 -0.39 -0.07 -3.56 0.00 0.00 178.44 174.85 3hk8 h LEU 156 N 0.36 0.00 -0.83 -4.49 3.38 0.45 -2.50 115.31 111.67 3hk8 h LEU 156 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3hk8 h LEU 156 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3hk8 h LEU 156 CO 0.01 0.39 0.00 -0.08 0.09 0.00 0.00 178.44 178.85 3hk8 h GLU 157 N 0.00 0.00 0.00 1.13 4.81 0.11 -3.47 114.58 117.16 3hk8 h GLU 157 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3hk8 h GLU 157 Cb 0.92 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.30 3hk8 h GLU 157 CO 0.05 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.74 3hk8 n GLY 158 N 0.46 0.79 3.77 1.92 0.00 -0.68 -5.05 105.19 106.40 3hk8 n GLY 158 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.83 3.62 -0.03 1.61 1.02 0.20 -5.01 119.74 120.32 3hk8 s LYS 159 Ca 0.00 1.90 0.06 0.00 0.02 0.00 0.00 55.97 57.94 3hk8 s LYS 159 Cb 0.00 -2.39 -0.02 0.00 -0.52 0.00 0.00 37.83 34.90 3hk8 s LYS 159 CO 0.00 -0.70 -0.19 -0.65 -0.92 0.00 0.00 175.35 172.89 3hk8 s GLN 160 N -2.72 2.32 0.74 1.68 -1.52 -1.26 -4.59 119.66 114.31 3hk8 s GLN 160 Ca 0.65 -0.81 -0.11 0.00 -1.95 0.00 0.00 55.36 53.15 3hk8 s GLN 160 Cb -0.32 -2.23 0.04 0.00 -0.22 0.00 0.00 33.01 30.28 3hk8 s GLN 160 CO 0.38 0.59 1.08 -1.25 -0.25 0.00 0.00 175.29 175.84 3hk8 s PRO 161 N -0.71 2.52 0.57 2.91 0.04 -1.26 -4.99 135.00 134.08 3hk8 s PRO 161 Ca 0.11 0.98 -0.19 0.00 0.04 0.00 0.00 61.00 61.94 3hk8 s PRO 161 Cb -0.10 -1.94 -0.06 0.00 0.04 0.00 0.00 34.50 32.44 3hk8 s PRO 161 CO 0.00 -1.41 0.94 -3.47 0.04 0.00 0.00 177.00 173.11 3hk8 n ASP 162 N -3.34 0.74 0.33 6.66 -0.08 -1.26 -4.86 116.55 114.75 3hk8 n ASP 162 Ca 0.08 0.84 0.22 0.00 -1.51 0.00 0.00 54.79 54.42 3hk8 n ASP 162 Cb 0.54 -1.37 1.16 0.00 2.34 0.00 0.00 41.12 43.78 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 0.65 0.00 0.95 1.67 4.64 -2.00 -0.32 113.55 119.14 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 1.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 3hk8 h SER 163 CO 0.52 0.00 -0.25 0.54 -0.87 0.00 0.00 176.83 176.77 3hk8 n ARG 164 N -3.12 0.11 -4.26 4.77 1.74 -1.26 -4.82 116.66 109.82 3hk8 n ARG 164 Ca -0.03 0.06 -0.34 0.00 -0.77 0.00 0.00 57.85 56.77 3hk8 n ARG 164 Cb 0.10 -1.60 -0.10 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 -3.05 3.16 0.10 -1.55 0.08 -0.13 -0.70 117.98 115.88 3hk8 s PHE 165 Ca 0.11 0.00 0.09 0.00 0.12 0.00 0.00 56.93 57.26 3hk8 s PHE 165 Cb 0.16 -1.94 -0.04 0.00 -0.57 0.00 0.00 43.02 40.64 3hk8 s PHE 165 CO 0.62 0.22 -0.22 -1.01 -0.10 0.00 0.00 175.22 174.73 3hk8 s HIS 166 N -0.10 2.45 0.23 0.36 3.76 0.12 -4.64 115.29 117.47 3hk8 s HIS 166 Ca 0.04 -0.31 -0.09 0.00 -0.15 0.00 0.00 55.06 54.55 3hk8 s HIS 166 Cb -0.13 -1.34 -0.07 0.00 1.11 0.00 0.00 32.58 32.16 3hk8 s HIS 166 CO 0.02 0.33 0.54 0.00 -0.85 0.00 0.00 174.74 174.78 3hk8 s ALA 167 N -1.05 3.58 -0.04 -1.40 0.00 -1.26 -0.13 121.76 121.46 3hk8 s ALA 167 Ca 0.16 -0.30 -0.01 0.00 0.00 0.00 0.00 51.96 51.80 3hk8 s ALA 167 Cb -0.10 -2.41 0.03 0.00 0.00 0.00 0.00 23.12 20.64 3hk8 s ALA 167 CO 0.07 0.51 0.06 0.00 0.00 0.00 0.00 175.76 176.40 3hk8 s ALA 168 N -1.82 0.10 -0.69 0.00 0.00 -1.23 -0.98 121.76 117.14 3hk8 s ALA 168 Ca 0.47 0.31 -0.27 0.00 0.00 0.00 0.00 51.96 52.47 3hk8 s ALA 168 Cb -0.11 -0.47 0.03 0.00 0.00 0.00 0.00 23.12 22.57 3hk8 s ALA 168 CO 0.22 -0.32 1.22 -1.17 0.00 0.00 0.00 175.76 175.71 3hk8 s LEU 169 N 1.66 3.37 -0.00 0.00 2.96 -0.77 -1.09 118.68 124.81 3hk8 s LEU 169 Ca -0.02 -0.36 -0.28 0.00 -0.22 0.00 0.00 54.13 53.25 3hk8 s LEU 169 Cb -0.12 -2.70 -0.04 0.00 0.50 0.00 0.00 46.19 43.83 3hk8 s LEU 169 CO -0.03 -1.70 0.90 -0.60 -1.32 0.00 0.00 176.35 173.60 3hk8 s ARG 170 N 5.35 4.54 -0.10 1.98 6.06 -0.47 -0.61 118.95 135.70 3hk8 s ARG 170 Ca 0.36 1.28 0.14 0.00 -2.50 0.00 0.00 55.73 55.00 3hk8 s ARG 170 Cb -0.09 -3.45 0.21 0.00 0.06 0.00 0.00 34.95 31.69 3hk8 s ARG 170 CO 0.17 0.02 1.10 1.28 -2.50 0.00 0.00 175.30 175.37 3hk8 n LEU 171 N 3.73 2.13 -0.26 -0.88 4.77 0.73 -4.43 117.00 122.79 3hk8 n LEU 171 Ca 0.04 -2.72 -0.00 0.00 -0.03 0.00 0.00 56.01 53.29 3hk8 n LEU 171 Cb 0.51 -0.32 0.07 0.00 -2.33 0.00 0.00 43.42 41.35 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 -0.87 -1.01 -1.43 5.19 -1.92 -1.40 116.42 114.98 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 0.92 0.52 -0.06 0.00 0.18 0.00 0.00 39.33 40.88 3hk8 h ASP 172 CO 0.00 -0.27 0.66 -0.65 -3.12 0.00 0.00 179.24 175.86 3hk8 h PRO 173 N -0.04 1.20 -0.06 3.56 0.11 -1.95 0.28 132.00 135.10 3hk8 h PRO 173 Ca 0.33 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 66.35 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 0.79 -0.02 1.25 -0.21 0.00 0.00 178.00 179.04 3hk8 h LEU 174 N 1.24 0.13 0.12 2.35 5.85 -1.60 -1.45 115.31 121.95 3hk8 h LEU 174 Ca 0.41 -0.40 -0.28 0.00 0.84 0.00 0.00 57.88 58.46 3hk8 h LEU 174 Cb 0.07 -0.04 0.01 0.00 0.37 0.00 0.00 40.66 41.07 3hk8 h LEU 174 CO -0.14 0.50 -1.25 -0.07 -0.34 0.00 0.00 178.44 177.14 3hk8 h LEU 175 N -0.24 0.48 -0.58 2.25 4.07 -1.21 -3.21 115.31 116.86 3hk8 h LEU 175 Ca 0.02 -0.50 0.00 0.00 0.08 0.00 0.00 57.88 57.47 3hk8 h LEU 175 Cb 0.45 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 42.03 3hk8 h LEU 175 CO 0.01 1.39 -0.54 0.59 -1.08 0.00 0.00 178.44 178.81 3hk8 n ASN 176 N -3.57 1.41 -2.58 -0.43 3.02 0.97 -3.83 115.26 110.25 3hk8 n ASN 176 Ca -0.09 -1.21 0.01 0.00 -0.03 0.00 0.00 54.58 53.26 3hk8 n ASN 176 Cb 1.02 0.67 0.05 0.00 -0.61 0.00 0.00 39.78 40.90 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 -0.57 1.40 -0.32 3.52 1.02 -0.55 -4.94 120.64 120.19 3hk8 n GLU 177 Ca 0.06 -3.14 0.07 0.00 -0.02 0.00 0.00 57.16 54.13 3hk8 n GLU 177 Cb 0.34 -1.24 0.23 0.00 -0.02 0.00 0.00 31.44 30.75 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 2.25 0.95 -0.83 -0.32 3.20 -1.54 0.17 116.97 120.85 3hk8 h TYR 178 Ca -0.17 0.03 0.16 0.00 3.14 0.00 0.00 58.73 61.90 3hk8 h TYR 178 Cb 1.38 -0.29 -0.06 0.00 1.54 0.00 0.00 36.73 39.31 3hk8 h TYR 178 CO 0.42 0.31 0.55 0.93 -1.64 0.00 0.00 178.16 178.72 3hk8 h GLU 179 N 0.80 0.45 0.08 1.82 4.39 -1.90 0.28 114.58 120.50 3hk8 h GLU 179 Ca 0.48 -0.03 -0.35 0.00 0.34 0.00 0.00 59.36 59.79 3hk8 h GLU 179 Cb 0.57 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.09 3hk8 h GLU 179 CO -0.31 0.30 -2.00 1.04 -1.16 0.00 0.00 179.01 176.88 3hk8 n GLN 180 N -4.50 0.70 0.11 2.33 3.00 -0.62 -4.35 117.38 114.04 3hk8 n GLN 180 Ca 0.16 0.29 0.04 0.00 -0.01 0.00 0.00 57.00 57.48 3hk8 n GLN 180 Cb 0.57 -1.67 0.44 0.00 0.00 0.00 0.00 30.24 29.58 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 -0.17 1.12 -0.99 5.09 2.02 -0.27 -2.93 112.91 116.78 3hk8 h THR 181 Ca -0.46 -0.46 0.13 0.00 0.77 0.00 0.00 66.41 66.39 3hk8 h THR 181 Cb 1.87 0.95 -0.08 0.00 -1.74 0.00 0.00 68.15 69.15 3hk8 h THR 181 CO -0.02 0.16 0.63 0.07 0.37 0.00 0.00 175.52 176.72 3hk8 h LYS 182 N 0.29 0.93 -0.39 6.66 2.10 -0.64 -0.34 116.57 125.16 3hk8 h LYS 182 Ca 0.07 -0.06 -0.05 0.00 -2.00 0.00 0.00 60.65 58.61 3hk8 h LYS 182 Cb 0.17 -0.21 -0.02 0.00 -0.90 0.00 0.00 32.23 31.27 3hk8 h LYS 182 CO 0.00 0.61 0.03 0.45 -2.00 0.00 0.00 179.45 178.55 3hk8 h HIS 183 N 0.95 0.63 -0.14 0.07 3.86 -1.75 -1.31 115.15 117.45 3hk8 h HIS 183 Ca 0.50 -0.06 -0.17 0.00 -1.16 0.00 0.00 60.37 59.48 3hk8 h HIS 183 Cb 0.53 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.81 3hk8 h HIS 183 CO -0.00 0.59 -0.61 0.00 0.86 0.00 0.00 177.93 178.76 3hk8 h ARG 184 N 0.58 0.49 -0.50 2.45 3.08 -1.22 -2.20 114.38 117.07 3hk8 h ARG 184 Ca 0.13 -0.34 -0.01 0.00 0.07 0.00 0.00 59.98 59.82 3hk8 h ARG 184 Cb 0.32 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 3hk8 h ARG 184 CO 0.01 0.96 0.27 -0.07 -1.07 0.00 0.00 179.97 180.06 3hk8 h LEU 185 N 0.37 0.63 -0.32 3.04 3.38 -0.62 -1.44 115.31 120.35 3hk8 h LEU 185 Ca -0.01 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 57.87 3hk8 h LEU 185 Cb 1.16 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 3hk8 h LEU 185 CO 0.11 0.55 0.19 0.03 0.09 0.00 0.00 178.44 179.41 3hk8 h ARG 186 N 0.67 0.38 0.00 1.13 3.08 -1.13 -0.49 114.38 118.02 3hk8 h ARG 186 Ca 0.18 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.20 3hk8 h ARG 186 Cb 0.06 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.03 3hk8 h ARG 186 CO -0.03 0.25 -0.01 -0.44 -1.07 0.00 0.00 179.97 178.68 3hk8 h ASP 187 N 0.39 0.00 0.04 7.04 3.32 -0.99 0.35 116.42 126.57 3hk8 h ASP 187 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3hk8 h ASP 187 Cb -0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.54 3hk8 h ASP 187 CO -0.05 0.01 -0.06 0.79 -1.72 0.00 0.00 179.24 178.21 3hk8 n TRP 188 N -3.80 0.00 0.00 4.55 8.01 -0.45 -4.93 117.44 120.82 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 29.37 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 1.22 0.52 3.51 6.99 0.00 0.11 -5.05 105.19 112.49 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 2.80 -0.93 1.61 2.02 -0.32 -4.95 117.35 115.58 3hk8 s TYR 190 Ca 0.00 -0.12 -0.14 0.00 -0.37 0.00 0.00 57.07 56.44 3hk8 s TYR 190 Cb 0.00 -4.06 -0.09 0.00 -0.40 0.00 0.00 41.96 37.41 3hk8 s TYR 190 CO 0.00 -1.36 2.07 1.63 -1.57 0.00 0.00 175.55 176.32 3hk8 n LYS 191 N 7.39 1.95 -2.77 -0.62 5.02 -1.26 -3.25 118.16 124.62 3hk8 n LYS 191 Ca 0.00 -1.76 -0.40 0.00 -2.02 0.00 0.00 58.31 54.13 3hk8 n LYS 191 Cb 0.47 -2.75 -0.06 0.00 -0.02 0.00 0.00 35.03 32.67 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 4.06 4.18 0.73 -0.18 -7.23 -1.26 -4.53 120.40 116.17 3hk8 s VAL 192 Ca 0.49 2.04 -0.03 0.00 -1.81 0.00 0.00 61.98 62.67 3hk8 s VAL 192 Cb 0.13 -4.31 0.12 0.00 0.56 0.00 0.00 36.38 32.88 3hk8 s VAL 192 CO 0.03 0.47 1.01 0.20 -0.31 0.00 0.00 175.10 176.50 3hk8 s ASN 193 N -0.97 4.37 0.25 4.85 0.01 -1.26 -4.95 114.94 117.24 3hk8 s ASN 193 Ca 0.41 -0.15 0.04 0.00 -0.71 0.00 0.00 52.86 52.46 3hk8 s ASN 193 Cb -0.25 -0.29 0.29 0.00 0.41 0.00 0.00 41.25 41.41 3hk8 s ASN 193 CO 0.31 -1.84 1.59 0.44 -1.51 0.00 0.00 177.10 176.08 3hk8 h ASP 194 N -0.59 0.29 -2.91 -1.22 3.32 -2.03 -3.44 116.42 109.84 3hk8 h ASP 194 Ca -0.39 -0.15 -0.60 0.00 0.02 0.00 0.00 57.03 55.91 3hk8 h ASP 194 Cb 1.27 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 40.70 3hk8 h ASP 194 CO 0.44 0.79 -0.45 -1.61 -1.72 0.00 0.00 179.24 176.69 3hk8 s GLU 195 N -3.86 3.48 -0.95 3.56 0.41 -1.26 -5.03 118.70 115.05 3hk8 s GLU 195 Ca -0.04 -0.38 -0.22 0.00 -0.41 0.00 0.00 54.97 53.91 3hk8 s GLU 195 Cb 0.12 -2.98 0.07 0.00 -1.78 0.00 0.00 34.13 29.57 3hk8 s GLU 195 CO 0.79 0.56 1.32 -0.46 -0.49 0.00 0.00 175.26 176.98 3hk8 s TRP 196 N -1.59 2.69 0.36 1.61 -0.11 -1.26 -4.69 118.94 115.96 3hk8 s TRP 196 Ca 0.36 -0.93 0.02 0.00 1.22 0.00 0.00 56.10 56.77 3hk8 s TRP 196 Cb -0.12 -4.55 -0.01 0.00 -1.50 0.00 0.00 33.47 27.29 3hk8 s TRP 196 CO 0.27 -1.80 0.05 0.27 -4.62 0.00 0.00 176.95 171.13 3hk8 n ASN 197 N 8.17 2.19 -0.34 5.86 0.23 -1.26 -4.98 115.26 125.13 3hk8 n ASN 197 Ca 0.26 -2.74 0.18 0.00 -0.53 0.00 0.00 54.58 51.75 3hk8 n ASN 197 Cb 0.50 0.54 0.39 0.00 -2.08 0.00 0.00 39.78 39.13 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 0.54 -0.08 -3.83 4.57 -1.99 -0.22 114.58 113.57 3hk8 h GLU 198 Ca -0.29 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 57.85 3hk8 h GLU 198 Cb 0.99 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 29.45 3hk8 h GLU 198 CO 0.48 0.36 0.02 0.78 -1.18 0.00 0.00 179.01 179.47 3hk8 h GLY 199 N 0.55 0.13 1.01 1.92 0.00 -1.94 -1.00 103.07 103.74 3hk8 h GLY 199 Ca 0.65 -0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.88 3hk8 h GLY 199 CO -0.49 0.07 0.36 1.76 0.00 0.00 0.00 176.54 178.24 3hk8 h SER 200 N -0.07 0.91 0.09 0.19 0.02 -1.48 -1.81 113.55 111.39 3hk8 h SER 200 Ca 0.02 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 3hk8 h SER 200 Cb 0.22 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 3hk8 h SER 200 CO -0.00 0.77 -0.09 0.40 -1.14 0.00 0.00 176.83 176.77 3hk8 h ILE 201 N 0.98 0.79 -0.55 3.27 2.04 -0.95 -1.78 117.51 121.31 3hk8 h ILE 201 Ca 0.25 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.06 3hk8 h ILE 201 Cb 0.09 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 3hk8 h ILE 201 CO -0.03 0.00 0.16 1.56 0.00 0.00 0.00 178.15 179.84 3hk8 h GLN 202 N -0.20 0.82 -0.05 2.37 1.08 -1.01 -1.97 115.11 116.15 3hk8 h GLN 202 Ca 0.01 -0.15 -0.14 0.00 -1.45 0.00 0.00 58.65 56.92 3hk8 h GLN 202 Cb 0.20 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.48 3hk8 h GLN 202 CO -0.03 0.72 -0.60 0.93 -0.95 0.00 0.00 178.83 178.90 3hk8 h GLU 203 N 0.80 0.16 -0.28 1.46 4.39 -1.16 -0.37 114.58 119.58 3hk8 h GLU 203 Ca 0.18 -0.11 -0.17 0.00 0.34 0.00 0.00 59.36 59.60 3hk8 h GLU 203 Cb 0.24 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.91 3hk8 h GLU 203 CO -0.01 0.71 -0.51 0.28 -1.16 0.00 0.00 179.01 178.32 3hk8 h VAL 204 N 0.12 1.29 -0.60 3.13 2.07 -1.07 -1.33 116.25 119.85 3hk8 h VAL 204 Ca -0.01 -1.71 -0.03 0.00 0.82 0.00 0.00 66.70 65.77 3hk8 h VAL 204 Cb 1.09 1.62 -0.03 0.00 -1.52 0.00 0.00 31.29 32.45 3hk8 h VAL 204 CO 0.09 0.55 0.26 0.11 0.02 0.00 0.00 177.57 178.60 3hk8 h LYS 205 N 0.61 0.89 -0.45 1.57 1.57 -1.15 -1.42 116.57 118.20 3hk8 h LYS 205 Ca 0.02 -0.15 0.04 0.00 -1.87 0.00 0.00 60.65 58.69 3hk8 h LYS 205 Cb 1.10 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 33.21 3hk8 h LYS 205 CO 0.11 0.75 0.21 0.00 -0.57 0.00 0.00 179.45 179.95 3hk8 h ARG 206 N 0.83 0.41 -0.38 3.15 3.08 -0.88 0.17 114.38 120.77 3hk8 h ARG 206 Ca 0.20 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.25 3hk8 h ARG 206 Cb 0.18 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 3hk8 h ARG 206 CO -0.02 0.27 0.20 0.35 -1.07 0.00 0.00 179.97 179.70 3hk8 h PHE 207 N 0.43 0.37 -0.24 3.04 3.57 -0.83 0.16 116.94 123.44 3hk8 h PHE 207 Ca 0.20 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.69 3hk8 h PHE 207 Cb 0.13 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 3hk8 h PHE 207 CO -0.11 0.20 0.07 -0.07 -2.23 0.00 0.00 178.31 176.17 3hk8 h LEU 208 N 0.41 0.35 -0.75 0.59 3.38 -0.75 -2.57 115.31 115.96 3hk8 h LEU 208 Ca 0.16 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 3hk8 h LEU 208 Cb 0.05 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 3hk8 h LEU 208 CO -0.10 0.46 0.42 0.74 0.09 0.00 0.00 178.44 180.06 3hk8 h THR 209 N 0.21 1.22 -0.54 0.22 2.02 -0.44 0.22 112.91 115.83 3hk8 h THR 209 Ca 0.08 -0.53 0.01 0.00 0.77 0.00 0.00 66.41 66.73 3hk8 h THR 209 Cb 0.24 0.22 -0.03 0.00 -1.74 0.00 0.00 68.15 66.84 3hk8 h THR 209 CO -0.00 0.24 0.36 0.44 0.37 0.00 0.00 175.52 176.92 3hk8 h ASP 210 N 1.03 0.62 0.73 4.18 3.32 -0.59 -0.65 116.42 125.05 3hk8 h ASP 210 Ca 0.26 -0.02 -0.13 0.00 0.02 0.00 0.00 57.03 57.17 3hk8 h ASP 210 Cb 0.01 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 3hk8 h ASP 210 CO -0.05 0.45 -0.61 -0.50 -1.72 0.00 0.00 179.24 176.81 3hk8 h TRP 211 N 0.73 0.00 -0.48 4.55 4.06 -1.11 -1.17 115.95 122.53 3hk8 h TRP 211 Ca 0.20 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 61.06 3hk8 h TRP 211 Cb -0.08 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.06 3hk8 h TRP 211 CO -0.04 0.61 -0.02 0.82 -3.56 0.00 0.00 178.44 176.25 3hk8 h ILE 212 N 0.00 1.26 -0.66 1.49 2.04 -0.58 0.20 117.51 121.27 3hk8 h ILE 212 Ca -0.01 -1.10 -0.08 0.00 1.00 0.00 0.00 64.86 64.67 3hk8 h ILE 212 Cb 1.13 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 38.20 3hk8 h ILE 212 CO 0.08 0.38 0.09 -0.08 0.00 0.00 0.00 178.15 178.62 3hk8 h GLU 213 N 0.72 1.10 -0.07 2.37 4.81 -0.91 0.41 114.58 123.01 3hk8 h GLU 213 Ca 0.13 -0.30 -0.22 0.00 -0.13 0.00 0.00 59.36 58.84 3hk8 h GLU 213 Cb 0.54 -0.13 0.01 0.00 0.63 0.00 0.00 28.75 29.80 3hk8 h GLU 213 CO 0.03 1.01 -0.83 -0.09 -0.73 0.00 0.00 179.01 178.40 3hk8 h ARG 214 N 1.02 0.68 0.00 1.92 2.43 -0.96 -3.37 114.38 116.11 3hk8 h ARG 214 Ca 0.20 -0.64 -0.32 0.00 -0.81 0.00 0.00 59.98 58.41 3hk8 h ARG 214 Cb 0.46 0.16 -0.06 0.00 -0.42 0.00 0.00 29.97 30.11 3hk8 h ARG 214 CO 0.02 1.24 -1.92 -1.33 -1.51 0.00 0.00 179.97 176.47 3hk8 n MET 215 N -3.98 0.65 -3.55 0.20 2.81 0.69 -5.01 117.12 108.93 3hk8 n MET 215 Ca -0.09 0.20 -0.24 0.00 -1.81 0.00 0.00 57.70 55.76 3hk8 n MET 215 Cb 0.77 -1.71 0.05 0.00 -0.71 0.00 0.00 33.22 31.62 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 -2.95 -4.79 -4.78 7.83 2.03 0.14 -4.64 116.55 109.39 3hk8 n ASP 216 Ca -0.22 -0.88 -0.35 0.00 0.52 0.00 0.00 54.79 53.87 3hk8 n ASP 216 Cb 1.09 -4.10 -0.01 0.00 -0.72 0.00 0.00 41.12 37.37 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 -5.49 3.54 0.42 -0.67 0.04 -1.26 -4.61 135.00 126.97 3hk8 s PRO 217 Ca 0.36 1.54 0.25 0.00 0.04 0.00 0.00 61.00 63.19 3hk8 s PRO 217 Cb -0.10 -2.07 0.52 0.00 0.04 0.00 0.00 34.50 32.90 3hk8 s PRO 217 CO 0.81 -0.69 1.67 -0.39 0.04 0.00 0.00 177.00 178.45 3hk8 h VAL 218 N 1.37 0.00 -1.89 -0.36 -1.51 -1.42 -3.47 116.25 108.98 3hk8 h VAL 218 Ca -0.50 -0.87 0.20 0.00 -1.23 0.00 0.00 66.70 64.30 3hk8 h VAL 218 Cb 1.25 1.87 -0.15 0.00 -2.13 0.00 0.00 31.29 32.13 3hk8 h VAL 218 CO 0.58 0.00 0.65 -0.72 -1.23 0.00 0.00 177.57 176.85 3hk8 s TYR 219 N -3.25 -0.19 -0.06 5.19 -0.85 -1.26 -4.23 117.35 112.71 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 0.06 0.55 -0.04 0.00 0.38 0.00 0.00 41.96 42.92 3hk8 s TYR 219 CO 0.64 -0.43 0.05 -1.64 -1.52 0.00 0.00 175.55 172.65 3hk8 s MET 220 N -2.80 3.05 0.12 -3.49 -1.94 -0.83 -1.84 119.30 111.57 3hk8 s MET 220 Ca 0.09 -0.41 0.01 0.00 -1.71 0.00 0.00 55.69 53.67 3hk8 s MET 220 Cb -0.00 -2.86 -0.04 0.00 2.01 0.00 0.00 34.83 33.94 3hk8 s MET 220 CO -0.05 0.69 -0.03 0.00 -0.01 0.00 0.00 175.02 175.62 3hk8 s ALA 221 N -1.02 1.01 -0.18 3.03 0.00 0.22 -0.29 121.76 124.54 3hk8 s ALA 221 Ca 0.17 -1.41 -0.27 0.00 0.00 0.00 0.00 51.96 50.45 3hk8 s ALA 221 Cb -0.12 0.36 0.07 0.00 0.00 0.00 0.00 23.12 23.43 3hk8 s ALA 221 CO 0.07 -0.30 0.70 0.54 0.00 0.00 0.00 175.76 176.77 3hk8 s VAL 222 N -3.71 0.00 -0.13 0.00 0.11 -0.76 -0.19 120.40 115.70 3hk8 s VAL 222 Ca 0.16 -0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 59.13 3hk8 s VAL 222 Cb 0.06 -0.99 -0.04 0.00 -1.53 0.00 0.00 36.38 33.88 3hk8 s VAL 222 CO -0.02 -0.00 0.13 -0.94 -3.33 0.00 0.00 175.10 170.94 3hk8 s SER 223 N -0.26 6.29 0.15 3.54 1.04 -1.26 -1.36 113.70 121.84 3hk8 s SER 223 Ca -0.04 0.40 0.09 0.00 0.48 0.00 0.00 55.95 56.88 3hk8 s SER 223 Cb -0.03 -2.04 -0.04 0.00 0.10 0.00 0.00 66.02 64.01 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 -0.75 2.40 0.78 2.42 1.43 0.12 -4.92 118.68 120.16 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 -0.91 0.06 0.00 0.03 0.00 0.00 46.19 45.25 3hk8 s LEU 224 CO 0.03 0.02 1.10 -2.16 0.23 0.00 0.00 176.35 175.57 3hk8 s PRO 225 N -2.52 2.22 0.57 1.29 0.04 -1.25 -1.18 135.00 134.17 3hk8 s PRO 225 Ca 0.14 0.61 0.26 0.00 0.04 0.00 0.00 61.00 62.05 3hk8 s PRO 225 Cb -0.07 -1.94 1.66 0.00 0.04 0.00 0.00 34.50 34.19 3hk8 s PRO 225 CO 0.06 -1.52 2.22 -1.35 0.04 0.00 0.00 177.00 176.45 3hk8 h PRO 226 N -1.02 0.00 -0.16 0.56 0.11 -1.78 -1.20 132.00 128.52 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 -4.04 0.21 -1.62 -1.15 -2.24 -1.26 -4.12 114.28 100.06 3hk8 n THR 227 Ca -0.03 -0.22 -0.48 0.00 -2.27 0.00 0.00 64.05 61.05 3hk8 n THR 227 Cb 0.11 0.10 -0.04 0.00 -2.10 0.00 0.00 70.33 68.40 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 -0.03 1.78 -3.96 4.78 7.35 -0.45 -4.98 117.46 121.94 3hk8 n PHE 228 Ca 0.07 0.52 -0.09 0.00 -0.76 0.00 0.00 57.45 57.19 3hk8 n PHE 228 Cb 0.16 -2.40 -0.10 0.00 0.35 0.00 0.00 39.48 37.48 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 0.41 0.21 -0.28 -2.13 0.15 -1.26 -4.70 113.70 106.10 3hk8 s SER 229 Ca 0.77 -0.49 -0.21 0.00 0.70 0.00 0.00 55.95 56.71 3hk8 s SER 229 Cb -0.80 0.15 0.12 0.00 -1.71 0.00 0.00 66.02 63.78 3hk8 s SER 229 CO 0.47 -0.37 0.94 0.12 1.20 0.00 0.00 173.24 175.59 3hk8 s PHE 230 N -1.84 -0.61 0.93 3.44 2.19 -1.26 -4.49 117.98 116.34 3hk8 s PHE 230 Ca -0.12 1.36 -0.11 0.00 0.33 0.00 0.00 56.93 58.38 3hk8 s PHE 230 Cb -0.07 0.38 0.15 0.00 -1.31 0.00 0.00 43.02 42.18 3hk8 s PHE 230 CO -0.02 -0.30 1.09 -1.25 1.83 0.00 0.00 175.22 176.57 3hk8 s PRO 231 N 0.78 0.93 -0.28 10.12 0.04 -1.26 -4.16 135.00 141.17 3hk8 s PRO 231 Ca -0.03 0.97 -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 -2.51 0.70 -2.00 0.04 0.00 0.00 177.00 173.13 3hk8 s GLU 232 N -4.81 0.73 -1.43 4.56 2.12 -1.26 -5.06 118.70 113.55 3hk8 s GLU 232 Ca 0.65 1.17 -0.13 0.00 0.36 0.00 0.00 54.97 57.02 3hk8 s GLU 232 Cb -0.20 0.19 0.06 0.00 0.26 0.00 0.00 34.13 34.44 3hk8 s GLU 232 CO 0.58 -0.14 2.20 0.39 -0.54 0.00 0.00 175.26 177.75 3hk8 n GLU 233 N 4.00 3.09 -4.30 4.30 -0.58 -1.26 -3.71 120.64 122.18 3hk8 n GLU 233 Ca -0.19 -2.79 -0.18 0.00 -0.42 0.00 0.00 57.16 53.59 3hk8 n GLU 233 Cb 0.58 -3.17 -0.09 0.00 -0.57 0.00 0.00 31.44 28.19 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 2.59 1.31 0.12 1.62 1.04 -1.26 -5.00 113.70 114.12 3hk8 s SER 234 Ca 0.47 -1.57 -0.18 0.00 0.48 0.00 0.00 55.95 55.15 3hk8 s SER 234 Cb 0.13 0.42 -0.04 0.00 0.10 0.00 0.00 66.02 66.63 3hk8 s SER 234 CO -0.07 -0.91 1.74 0.78 0.98 0.00 0.00 173.24 175.76 3hk8 h ASN 235 N 2.27 0.35 0.06 7.02 -0.26 -1.92 -0.16 115.58 122.94 3hk8 h ASN 235 Ca -0.32 -0.07 -0.00 0.00 -0.56 0.00 0.00 56.30 55.35 3hk8 h ASN 235 Cb 1.25 -0.09 0.00 0.00 -1.06 0.00 0.00 38.32 38.42 3hk8 h ASN 235 CO 0.49 0.31 -0.03 -0.09 -1.06 0.00 0.00 177.43 177.05 3hk8 h ARG 236 N 0.35 -0.08 -0.82 0.81 2.43 -1.91 0.59 114.38 115.76 3hk8 h ARG 236 Ca 0.10 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.32 3hk8 h ARG 236 Cb 0.04 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.55 3hk8 h ARG 236 CO -0.02 -0.05 0.51 0.78 -1.51 0.00 0.00 179.97 179.68 3hk8 h GLY 237 N -0.09 1.20 1.03 2.80 0.00 -1.65 -0.95 103.07 105.42 3hk8 h GLY 237 Ca -0.01 -0.38 -0.16 0.00 0.00 0.00 0.00 47.33 46.78 3hk8 h GLY 237 CO 0.01 0.29 -0.51 3.21 0.00 0.00 0.00 176.54 179.55 3hk8 h ARG 238 N 0.97 0.72 -0.55 4.80 3.08 -0.81 -2.08 114.38 120.51 3hk8 h ARG 238 Ca 0.34 -0.49 -0.05 0.00 0.07 0.00 0.00 59.98 59.85 3hk8 h ARG 238 Cb 0.09 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 3hk8 h ARG 238 CO -0.14 1.11 0.14 0.82 -1.07 0.00 0.00 179.97 180.84 3hk8 h ILE 239 N 0.44 1.24 -0.16 2.04 2.04 -0.65 0.15 117.51 122.60 3hk8 h ILE 239 Ca -0.00 -0.85 -0.01 0.00 1.00 0.00 0.00 64.86 65.00 3hk8 h ILE 239 Cb 1.12 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.95 3hk8 h ILE 239 CO 0.11 0.31 0.07 0.40 0.00 0.00 0.00 178.15 179.05 3hk8 h ILE 240 N 0.77 1.14 -0.14 -0.67 2.04 -1.20 0.38 117.51 119.84 3hk8 h ILE 240 Ca 0.17 -0.43 -0.03 0.00 1.00 0.00 0.00 64.86 65.57 3hk8 h ILE 240 Cb 0.32 1.13 -0.00 0.00 -0.74 0.00 0.00 36.82 37.52 3hk8 h ILE 240 CO -0.00 0.14 -0.05 -0.09 0.00 0.00 0.00 178.15 178.15 3hk8 h ARG 241 N 0.12 0.28 0.00 2.37 2.43 -1.25 -1.40 114.38 116.93 3hk8 h ARG 241 Ca 0.06 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3hk8 h ARG 241 Cb 0.15 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 3hk8 h ARG 241 CO -0.01 0.59 -0.94 -0.44 -1.51 0.00 0.00 179.97 177.66 3hk8 h ASP 242 N -0.05 0.00 0.00 -3.80 3.32 -0.75 -3.41 116.42 111.72 3hk8 h ASP 242 Ca 0.03 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3hk8 h ASP 242 Cb 0.50 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.05 3hk8 h ASP 242 CO 0.02 0.02 0.00 0.00 -1.72 0.00 0.00 179.24 177.56 3hk8 h LEU 244 N 0.00 -1.40 -0.09 0.00 7.12 -1.21 -2.02 115.31 117.71 3hk8 h LEU 244 Ca 0.00 0.11 0.03 0.00 0.13 0.00 0.00 57.88 58.15 3hk8 h LEU 244 Cb 0.00 0.46 -0.03 0.00 -0.53 0.00 0.00 40.66 40.56 3hk8 h LEU 244 CO 0.00 -0.68 -0.09 -0.07 -0.13 0.00 0.00 178.44 177.47 3hk8 h LEU 245 N -1.03 -0.28 -0.81 2.25 3.38 -1.50 0.73 115.31 118.04 3hk8 h LEU 245 Ca -0.07 0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.00 3hk8 h LEU 245 Cb 0.89 0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.73 3hk8 h LEU 245 CO -0.05 -0.12 0.51 -0.65 0.09 0.00 0.00 178.44 178.22 3hk8 h PRO 246 N -0.11 0.95 -0.43 1.13 0.11 -1.79 -1.07 132.00 130.80 3hk8 h PRO 246 Ca 0.07 -0.06 -0.14 0.00 0.11 0.00 0.00 66.00 65.98 3hk8 h PRO 246 Cb 0.21 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.09 3hk8 h PRO 246 CO -0.16 0.63 -0.27 0.28 -0.21 0.00 0.00 178.00 178.27 3hk8 h VAL 247 N 0.98 1.27 -0.20 3.15 2.07 -1.05 -2.33 116.25 120.13 3hk8 h VAL 247 Ca 0.34 -1.42 -0.09 0.00 0.82 0.00 0.00 66.70 66.34 3hk8 h VAL 247 Cb 0.07 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 3hk8 h VAL 247 CO -0.13 0.48 -0.27 0.00 0.02 0.00 0.00 177.57 177.67 3hk8 h ALA 248 N 0.91 1.15 -0.19 1.67 0.00 -0.44 -2.47 119.26 119.89 3hk8 h ALA 248 Ca 0.09 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.56 3hk8 h ALA 248 Cb 0.83 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 3hk8 h ALA 248 CO 0.07 0.54 -0.27 1.49 0.00 0.00 0.00 179.25 181.08 3hk8 h GLU 249 N 0.35 0.52 -0.42 0.00 4.81 -1.11 0.53 114.58 119.25 3hk8 h GLU 249 Ca 0.05 -0.30 0.04 0.00 -0.13 0.00 0.00 59.36 59.01 3hk8 h GLU 249 Cb 0.67 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.03 3hk8 h GLU 249 CO 0.05 0.90 0.20 -0.22 -0.73 0.00 0.00 179.01 179.21 3hk8 h LYS 250 N 0.18 0.40 -0.20 1.92 3.64 -1.25 -1.69 116.57 119.57 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 0.84 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 3hk8 h LYS 250 CO 0.06 0.26 0.00 0.72 -2.27 0.00 0.00 179.45 178.23 3hk8 n HIS 251 N -4.93 0.25 -3.81 1.91 8.25 -0.95 -4.94 115.22 111.02 3hk8 n HIS 251 Ca 0.02 -0.13 -0.25 0.00 -0.26 0.00 0.00 57.72 57.11 3hk8 n HIS 251 Cb 0.11 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.25 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 0.53 -2.36 -4.60 0.41 4.05 -0.02 -4.97 115.26 108.30 3hk8 n ASN 252 Ca 0.17 -0.83 -0.34 0.00 0.45 0.00 0.00 54.58 54.03 3hk8 n ASN 252 Cb 0.38 -3.88 -0.10 0.00 1.23 0.00 0.00 39.78 37.40 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 -3.57 4.44 0.63 -1.44 -1.09 0.17 -4.87 121.20 115.46 3hk8 s ILE 253 Ca 0.24 -0.17 -0.16 0.00 -2.23 0.00 0.00 60.65 58.33 3hk8 s ILE 253 Cb -0.12 -2.96 -0.02 0.00 -1.58 0.00 0.00 42.46 37.78 3hk8 s ILE 253 CO 0.83 0.49 1.11 -2.84 -1.23 0.00 0.00 174.94 173.30 3hk8 s PRO 254 N 0.17 2.96 -0.24 2.79 0.02 -1.26 -4.58 135.00 134.86 3hk8 s PRO 254 Ca 0.02 1.42 -0.05 0.00 0.02 0.00 0.00 61.00 62.41 3hk8 s PRO 254 Cb -0.13 -1.97 -0.01 0.00 0.02 0.00 0.00 34.50 32.41 3hk8 s PRO 254 CO 0.01 -1.13 0.02 0.12 -0.33 0.00 0.00 177.00 175.70 3hk8 s PHE 255 N -2.22 3.04 -0.22 6.54 5.36 0.42 -1.96 117.98 128.93 3hk8 s PHE 255 Ca 0.68 -0.78 -0.10 0.00 -0.96 0.00 0.00 56.93 55.77 3hk8 s PHE 255 Cb -0.21 -2.18 -0.05 0.00 -0.34 0.00 0.00 43.02 40.25 3hk8 s PHE 255 CO 0.38 -0.49 0.14 0.00 -1.46 0.00 0.00 175.22 173.79 3hk8 s ALA 256 N 1.53 3.61 -0.16 11.12 0.00 0.60 -0.47 121.76 137.99 3hk8 s ALA 256 Ca 0.05 -0.82 0.02 0.00 0.00 0.00 0.00 51.96 51.21 3hk8 s ALA 256 Cb -0.15 -2.24 0.01 0.00 0.00 0.00 0.00 23.12 20.74 3hk8 s ALA 256 CO 0.00 -0.07 -0.20 -1.64 0.00 0.00 0.00 175.76 173.85 3hk8 s MET 257 N 0.81 3.03 -0.49 0.00 -1.94 0.34 -1.84 119.30 119.21 3hk8 s MET 257 Ca 0.07 -0.83 -0.06 0.00 -1.71 0.00 0.00 55.69 53.16 3hk8 s MET 257 Cb -0.13 -2.52 0.13 0.00 2.01 0.00 0.00 34.83 34.32 3hk8 s MET 257 CO 0.02 -0.10 0.33 -1.64 -0.01 0.00 0.00 175.02 173.62 3hk8 s MET 258 N 1.04 2.38 -0.07 2.03 -1.94 -0.46 -2.50 119.30 119.77 3hk8 s MET 258 Ca -0.01 -1.92 -0.05 0.00 -1.71 0.00 0.00 55.69 52.00 3hk8 s MET 258 Cb -0.14 -3.81 -0.04 0.00 2.01 0.00 0.00 34.83 32.85 3hk8 s MET 258 CO -0.07 -1.16 0.14 0.42 -0.01 0.00 0.00 175.02 174.35 3hk8 s ILE 259 N 1.05 5.34 0.00 2.53 1.01 -0.79 0.12 121.20 130.46 3hk8 s ILE 259 Ca 0.09 0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.74 3hk8 s ILE 259 Cb -0.24 -3.38 0.00 0.00 0.01 0.00 0.00 42.46 38.85 3hk8 s ILE 259 CO -0.03 0.50 0.00 0.61 0.00 0.00 0.00 174.94 176.03 3hk8 n GLY 260 N 1.59 1.00 3.69 6.18 0.00 -0.32 -0.36 105.19 116.97 3hk8 n GLY 260 Ca -0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 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 5.11 -0.45 1.61 0.11 -0.93 -1.47 120.40 122.37 3hk8 s VAL 261 Ca 0.00 1.07 -0.12 0.00 -2.93 0.00 0.00 61.98 60.00 3hk8 s VAL 261 Cb 0.00 -3.88 0.09 0.00 -1.53 0.00 0.00 36.38 31.06 3hk8 s VAL 261 CO 0.00 0.22 0.33 -0.75 -3.33 0.00 0.00 175.10 171.58 3hk8 s LYS 262 N 1.25 2.72 0.41 1.54 2.20 -0.31 -3.91 119.74 123.65 3hk8 s LYS 262 Ca 0.27 -1.50 -0.26 0.00 -0.36 0.00 0.00 55.97 54.12 3hk8 s LYS 262 Cb -0.16 -3.95 -0.08 0.00 -1.51 0.00 0.00 37.83 32.13 3hk8 s LYS 262 CO 0.11 -1.05 1.29 0.15 -0.36 0.00 0.00 175.35 175.49 3hk8 s LYS 263 N 1.49 3.94 -1.37 4.03 -0.14 -1.26 -0.66 119.74 125.77 3hk8 s LYS 263 Ca 0.04 2.11 -0.06 0.00 -1.36 0.00 0.00 55.97 56.70 3hk8 s LYS 263 Cb -0.25 -2.72 0.00 0.00 -1.68 0.00 0.00 37.83 33.19 3hk8 s LYS 263 CO 0.03 -0.50 0.43 0.54 -0.76 0.00 0.00 175.35 175.09 3hk8 n ARG 264 N 0.06 -2.35 0.25 1.68 1.74 -1.24 -4.88 116.66 111.92 3hk8 n ARG 264 Ca 0.04 0.34 0.14 0.00 -0.77 0.00 0.00 57.85 57.60 3hk8 n ARG 264 Cb 0.44 -4.15 0.41 0.00 -1.02 0.00 0.00 32.46 28.14 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 -1.91 0.01 -2.40 1.55 -1.51 -1.06 -3.33 116.25 107.61 3hk8 h VAL 265 Ca -0.65 -0.79 -0.59 0.00 -1.23 0.00 0.00 66.70 63.44 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 0.61 0.01 -0.94 1.57 -1.23 0.00 0.00 177.57 177.58 3hk8 n HIS 266 N -3.10 -0.32 -0.29 5.19 -0.00 -0.98 -5.02 115.22 110.70 3hk8 n HIS 266 Ca 0.02 -3.46 0.11 0.00 -0.00 0.00 0.00 57.72 54.39 3hk8 n HIS 266 Cb 0.43 0.08 0.26 0.00 -0.00 0.00 0.00 29.99 30.76 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 5.38 0.19 -0.00 1.57 0.11 -1.83 -1.32 132.00 136.10 3hk8 h PRO 267 Ca 0.23 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.33 3hk8 h PRO 267 Cb 0.88 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.95 3hk8 h PRO 267 CO 0.43 0.12 0.11 0.00 -0.21 0.00 0.00 178.00 178.45 3hk8 h ALA 268 N 1.76 1.11 -0.00 -0.75 0.00 -1.95 -0.29 119.26 119.14 3hk8 h ALA 268 Ca 0.52 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.43 3hk8 h ALA 268 Cb 1.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3hk8 h ALA 268 CO -0.65 -0.11 -0.17 1.28 0.00 0.00 0.00 179.25 179.59 3hk8 n LEU 269 N -3.02 0.28 0.00 0.00 4.77 -0.50 -4.97 117.00 113.57 3hk8 n LEU 269 Ca -0.03 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 3hk8 n LEU 269 Cb 0.17 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 3hk8 n LEU 269 CO 0.18 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 3hk8 n GLY 270 N 1.42 2.66 0.34 -0.72 0.00 -0.12 -2.32 105.19 106.45 3hk8 n GLY 270 Ca 0.09 -0.29 0.22 0.00 0.00 0.00 0.00 46.02 46.03 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 1.14 0.00 -0.43 1.61 3.32 -1.94 0.21 116.42 120.33 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 -2.06 2.66 -0.47 3.45 0.00 -0.98 -4.27 120.51 118.85 3hk8 n ALA 272 Ca -0.03 -0.88 0.10 0.00 0.00 0.00 0.00 53.44 52.63 3hk8 n ALA 272 Cb 0.12 -0.99 0.33 0.00 0.00 0.00 0.00 19.45 18.90 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 1.01 2.65 3.86 0.00 0.00 0.06 -4.89 105.19 107.88 3hk8 n GLY 273 Ca 0.16 -0.80 -0.34 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.98 6.71 0.18 1.61 1.01 -1.26 -0.64 116.67 123.30 3hk8 s ASP 274 Ca 0.48 0.94 0.01 0.00 0.71 0.00 0.00 52.55 54.69 3hk8 s ASP 274 Cb 0.28 -2.23 0.01 0.00 1.01 0.00 0.00 42.92 41.98 3hk8 s ASP 274 CO 0.28 0.08 0.07 0.33 0.21 0.00 0.00 175.17 176.15 3hk8 n PHE 275 N 0.60 -0.39 -4.17 4.23 7.35 0.16 -4.92 117.46 120.33 3hk8 n PHE 275 Ca -0.05 -0.84 -0.13 0.00 -0.76 0.00 0.00 57.45 55.68 3hk8 n PHE 275 Cb 0.52 -0.14 -0.10 0.00 0.35 0.00 0.00 39.48 40.11 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 -1.29 0.83 -0.03 -2.13 0.11 -1.26 -1.16 120.40 115.47 3hk8 s VAL 276 Ca 0.05 -1.73 -0.21 0.00 -2.93 0.00 0.00 61.98 57.16 3hk8 s VAL 276 Cb -0.00 -1.45 0.04 0.00 -1.53 0.00 0.00 36.38 33.44 3hk8 s VAL 276 CO 0.03 -0.68 0.45 -0.83 -3.33 0.00 0.00 175.10 170.74 3hk8 s GLY 277 N -2.65 -0.31 0.18 6.54 0.00 -0.54 -4.84 107.32 105.69 3hk8 s GLY 277 Ca 0.07 0.69 -0.30 0.00 0.00 0.00 0.00 44.72 45.18 3hk8 s GLY 277 CO -0.02 0.42 1.09 1.25 0.00 0.00 0.00 173.10 175.85 3hk8 s LYS 278 N -1.29 4.60 0.32 2.90 2.20 -1.26 -4.40 119.74 122.80 3hk8 s LYS 278 Ca -0.13 1.71 0.08 0.00 -0.36 0.00 0.00 55.97 57.27 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 0.06 0.08 0.24 0.00 -0.36 0.00 0.00 175.35 175.38 3hk8 s ALA 279 N -0.24 3.72 0.32 3.13 0.00 -1.26 -4.80 121.76 122.63 3hk8 s ALA 279 Ca 0.49 -1.63 -0.20 0.00 0.00 0.00 0.00 51.96 50.63 3hk8 s ALA 279 Cb -0.29 -1.13 -0.09 0.00 0.00 0.00 0.00 23.12 21.61 3hk8 s ALA 279 CO 0.35 0.07 0.82 0.45 0.00 0.00 0.00 175.76 177.45 3hk8 s SER 280 N -3.93 7.00 0.00 0.00 0.15 -1.26 -4.97 113.70 110.69 3hk8 s SER 280 Ca 0.38 1.52 0.26 0.00 0.70 0.00 0.00 55.95 58.81 3hk8 s SER 280 Cb -0.06 -2.46 0.70 0.00 -1.71 0.00 0.00 66.02 62.49 3hk8 s SER 280 CO 0.25 -0.15 1.53 0.23 1.20 0.00 0.00 173.24 176.31 3hk8 n MET 281 N 0.05 0.52 -0.17 5.44 2.81 -1.26 -4.42 117.12 120.09 3hk8 n MET 281 Ca 0.02 -0.30 -0.02 0.00 -1.81 0.00 0.00 57.70 55.60 3hk8 n MET 281 Cb 0.52 -1.49 0.07 0.00 -0.71 0.00 0.00 33.22 31.60 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 0.72 -0.24 -0.60 7.83 5.19 -1.94 -0.19 116.42 127.20 3hk8 h ASP 282 Ca 0.00 0.13 -0.02 0.00 -0.62 0.00 0.00 57.03 56.52 3hk8 h ASP 282 Cb 0.50 0.23 -0.03 0.00 0.18 0.00 0.00 39.33 40.21 3hk8 h ASP 282 CO 0.00 -0.09 0.30 1.23 -3.12 0.00 0.00 179.24 177.56 3hk8 h GLY 283 N 0.11 0.91 1.02 2.75 0.00 -1.77 -0.94 103.07 105.14 3hk8 h GLY 283 Ca 0.27 -0.44 -0.09 0.00 0.00 0.00 0.00 47.33 47.06 3hk8 h GLY 283 CO -0.44 0.42 -0.08 -2.08 0.00 0.00 0.00 176.54 174.36 3hk8 h VAL 284 N 0.81 1.27 -0.48 4.60 2.07 -1.73 -1.72 116.25 121.07 3hk8 h VAL 284 Ca 0.21 -1.18 0.01 0.00 0.82 0.00 0.00 66.70 66.55 3hk8 h VAL 284 Cb 0.10 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 3hk8 h VAL 284 CO -0.03 0.41 0.31 -0.08 0.02 0.00 0.00 177.57 178.20 3hk8 h GLU 285 N 0.70 0.61 -0.40 1.57 4.81 -0.85 -1.07 114.58 119.95 3hk8 h GLU 285 Ca 0.12 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.29 3hk8 h GLU 285 Cb 0.61 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 3hk8 h GLU 285 CO 0.04 0.41 0.15 1.25 -0.73 0.00 0.00 179.01 180.12 3hk8 h HIS 286 N 0.63 0.63 -0.41 0.92 2.76 -1.05 -2.07 115.15 116.56 3hk8 h HIS 286 Ca 0.18 -0.05 -0.00 0.00 -2.20 0.00 0.00 60.37 58.30 3hk8 h HIS 286 Cb -0.05 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 28.71 3hk8 h HIS 286 CO -0.05 0.57 0.25 -0.07 -1.30 0.00 0.00 177.93 177.32 3hk8 h LEU 287 N 0.50 0.49 -0.47 0.26 3.38 -1.00 0.70 115.31 119.16 3hk8 h LEU 287 Ca 0.13 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 3hk8 h LEU 287 Cb 0.22 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3hk8 h LEU 287 CO -0.01 0.40 0.20 -0.07 0.09 0.00 0.00 178.44 179.05 3hk8 h LEU 288 N 0.54 0.64 -0.02 1.67 3.38 -1.12 -1.79 115.31 118.61 3hk8 h LEU 288 Ca 0.15 -0.16 -0.19 0.00 0.09 0.00 0.00 57.88 57.77 3hk8 h LEU 288 Cb -0.00 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 40.59 3hk8 h LEU 288 CO -0.03 0.62 -0.72 -0.09 0.09 0.00 0.00 178.44 178.31 3hk8 h ARG 289 N 0.62 0.53 0.00 1.13 2.43 -1.25 -3.34 114.38 114.50 3hk8 h ARG 289 Ca 0.16 -0.54 0.00 0.00 -0.81 0.00 0.00 59.98 58.79 3hk8 h ARG 289 Cb 0.17 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 3hk8 h ARG 289 CO -0.02 1.17 -0.10 0.39 -1.51 0.00 0.00 179.97 179.90 3hk8 n GLU 290 N -4.10 0.28 -3.18 0.20 -0.58 0.23 -4.15 120.64 109.33 3hk8 n GLU 290 Ca -0.10 0.20 -0.25 0.00 -0.42 0.00 0.00 57.16 56.59 3hk8 n GLU 290 Cb 0.73 -1.80 -0.06 0.00 -0.57 0.00 0.00 31.44 29.74 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 2.65 0.34 -0.32 4.01 -0.67 -4.92 117.16 115.97 3hk8 n TYR 291 Ca 0.05 -3.96 0.22 0.00 -0.16 0.00 0.00 57.90 54.06 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 3.53 0.00 -0.12 -0.72 0.13 -1.72 -1.16 132.00 131.95 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 0.69 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.82 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 -3.13 2.04 -4.77 1.44 5.03 -1.26 -4.86 115.26 109.75 3hk8 n ASN 293 Ca -0.03 -1.71 -0.29 0.00 0.87 0.00 0.00 54.58 53.42 3hk8 n ASN 293 Cb 0.08 -0.07 -0.06 0.00 -1.02 0.00 0.00 39.78 38.71 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 -1.78 5.44 -0.07 6.41 0.01 -0.44 -4.78 114.94 119.72 3hk8 s ASN 294 Ca 0.35 -0.08 0.01 0.00 -0.71 0.00 0.00 52.86 52.43 3hk8 s ASN 294 Cb 0.20 -1.42 -0.03 0.00 0.41 0.00 0.00 41.25 40.41 3hk8 s ASN 294 CO 0.30 0.14 -0.09 -0.54 -1.51 0.00 0.00 177.10 175.40 3hk8 s LYS 295 N -2.63 2.74 -0.07 -0.60 1.02 -1.26 -4.83 119.74 114.10 3hk8 s LYS 295 Ca 0.29 -0.60 0.02 0.00 0.02 0.00 0.00 55.97 55.71 3hk8 s LYS 295 Cb -0.11 -2.54 0.01 0.00 -0.52 0.00 0.00 37.83 34.67 3hk8 s LYS 295 CO 0.22 0.62 -0.13 -0.06 -0.92 0.00 0.00 175.35 175.07 3hk8 s PHE 296 N -0.69 1.58 -0.20 3.18 0.08 0.27 -0.44 117.98 121.76 3hk8 s PHE 296 Ca 0.10 -0.62 -0.07 0.00 0.12 0.00 0.00 56.93 56.47 3hk8 s PHE 296 Cb -0.11 -1.15 -0.04 0.00 -0.57 0.00 0.00 43.02 41.15 3hk8 s PHE 296 CO 0.01 -0.32 0.05 -0.51 -0.10 0.00 0.00 175.22 174.36 3hk8 s LEU 297 N 0.74 3.61 0.01 -0.37 1.43 0.38 -0.77 118.68 123.70 3hk8 s LEU 297 Ca -0.13 -0.05 0.02 0.00 -1.03 0.00 0.00 54.13 52.94 3hk8 s LEU 297 Cb -0.16 -1.93 -0.01 0.00 0.03 0.00 0.00 46.19 44.13 3hk8 s LEU 297 CO 0.03 0.10 -0.07 -0.69 0.23 0.00 0.00 176.35 175.95 3hk8 s VAL 298 N 0.81 0.53 -0.04 -1.59 1.01 -0.69 -0.50 120.40 119.93 3hk8 s VAL 298 Ca 0.03 -0.44 -0.05 0.00 0.00 0.00 0.00 61.98 61.52 3hk8 s VAL 298 Cb -0.14 -0.48 0.01 0.00 0.00 0.00 0.00 36.38 35.78 3hk8 s VAL 298 CO 0.02 0.05 0.14 0.28 0.00 0.00 0.00 175.10 175.59 3hk8 s THR 299 N -0.38 0.02 0.12 3.92 -1.32 -1.04 -1.77 115.64 115.18 3hk8 s THR 299 Ca 0.00 -0.13 0.10 0.00 -1.21 0.00 0.00 61.69 60.45 3hk8 s THR 299 Cb -0.04 -0.25 -0.04 0.00 -1.51 0.00 0.00 72.50 70.67 3hk8 s THR 299 CO -0.00 -0.07 -0.24 -0.04 -2.21 0.00 0.00 174.62 172.06 3hk8 s MET 300 N -0.19 1.27 0.05 7.08 -1.94 -1.26 -1.88 119.30 122.43 3hk8 s MET 300 Ca -0.03 -1.26 0.07 0.00 -1.71 0.00 0.00 55.69 52.76 3hk8 s MET 300 Cb -0.02 -1.66 -0.23 0.00 2.01 0.00 0.00 34.83 34.93 3hk8 s MET 300 CO 0.00 0.39 1.00 1.25 -0.01 0.00 0.00 175.02 177.65 3hk8 h LEU 301 N 3.98 0.08 -9.53 -0.03 5.85 -1.01 -3.42 115.31 111.23 3hk8 h LEU 301 Ca -0.49 -0.11 -0.52 0.00 0.84 0.00 0.00 57.88 57.60 3hk8 h LEU 301 Cb 1.17 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 3hk8 h LEU 301 CO 0.39 1.09 0.36 -0.55 -0.34 0.00 0.00 178.44 179.40 3hk8 s SER 302 N -6.57 7.46 0.46 1.25 0.15 -1.26 -4.59 113.70 110.60 3hk8 s SER 302 Ca -0.03 1.76 0.12 0.00 0.70 0.00 0.00 55.95 58.50 3hk8 s SER 302 Cb 0.09 -2.58 1.03 0.00 -1.71 0.00 0.00 66.02 62.85 3hk8 s SER 302 CO 0.83 -0.11 2.07 -0.09 1.20 0.00 0.00 173.24 177.14 3hk8 h ARG 303 N 5.86 0.22 0.00 5.44 2.43 -1.95 -2.15 114.38 124.22 3hk8 h ARG 303 Ca -0.42 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 3hk8 h ARG 303 Cb 1.21 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 3hk8 h ARG 303 CO 0.72 0.19 0.00 0.39 -1.51 0.00 0.00 179.97 179.77 3hk8 n GLU 304 N -4.46 0.45 -0.00 0.20 4.71 -1.26 -2.88 120.64 117.40 3hk8 n GLU 304 Ca -0.01 0.04 0.10 0.00 -0.01 0.00 0.00 57.16 57.28 3hk8 n GLU 304 Cb 0.12 -1.50 -0.13 0.00 -1.01 0.00 0.00 31.44 28.92 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 -1.22 0.67 0.08 1.62 5.03 -0.81 -4.71 115.26 115.93 3hk8 n ASN 305 Ca 0.13 -0.44 -0.12 0.00 0.87 0.00 0.00 54.58 55.03 3hk8 n ASN 305 Cb 0.17 1.49 -0.05 0.00 -1.02 0.00 0.00 39.78 40.37 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 -0.34 -0.30 3.52 1.08 -1.55 -1.69 115.11 115.82 3hk8 h GLN 306 Ca 0.00 0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.21 3hk8 h GLN 306 Cb 0.70 0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 28.19 3hk8 h GLN 306 CO 0.00 -0.23 0.14 1.25 -0.95 0.00 0.00 178.83 179.04 3hk8 h HIS 307 N -0.35 0.44 0.00 2.96 2.76 -1.84 -2.32 115.15 116.79 3hk8 h HIS 307 Ca 0.04 -0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.15 3hk8 h HIS 307 Cb 0.40 -0.13 -0.00 0.00 1.55 0.00 0.00 27.41 29.22 3hk8 h HIS 307 CO -0.21 0.40 -0.16 1.05 -1.30 0.00 0.00 177.93 177.71 3hk8 h GLU 308 N 0.35 0.00 -0.47 5.26 4.11 -1.84 -1.67 114.58 120.32 3hk8 h GLU 308 Ca 0.10 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.40 3hk8 h GLU 308 Cb 0.13 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 3hk8 h GLU 308 CO -0.01 0.16 -0.22 1.25 0.07 0.00 0.00 179.01 180.26 3hk8 h LEU 309 N 0.00 1.00 -0.55 3.06 5.85 -0.93 -0.83 115.31 122.91 3hk8 h LEU 309 Ca -0.00 -0.38 -0.03 0.00 0.84 0.00 0.00 57.88 58.31 3hk8 h LEU 309 Cb 0.36 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 3hk8 h LEU 309 CO 0.02 1.17 0.21 0.58 -0.34 0.00 0.00 178.44 180.08 3hk8 h VAL 310 N 0.84 1.22 -0.61 1.05 2.07 -0.80 -2.00 116.25 118.03 3hk8 h VAL 310 Ca 0.11 -0.71 -0.05 0.00 0.82 0.00 0.00 66.70 66.86 3hk8 h VAL 310 Cb 0.79 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 3hk8 h VAL 310 CO 0.07 0.27 0.18 0.58 0.02 0.00 0.00 177.57 178.69 3hk8 h VAL 311 N 0.76 1.23 -0.10 2.57 2.07 -1.05 -2.03 116.25 119.70 3hk8 h VAL 311 Ca 0.18 -0.81 -0.06 0.00 0.82 0.00 0.00 66.70 66.83 3hk8 h VAL 311 Cb 0.22 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 3hk8 h VAL 311 CO -0.01 0.31 -0.22 0.25 0.02 0.00 0.00 177.57 177.92 3hk8 h LEU 312 N 0.89 0.16 -1.37 2.57 5.85 -0.82 -1.48 115.31 121.11 3hk8 h LEU 312 Ca 0.20 -0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.82 3hk8 h LEU 312 Cb 0.27 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 3hk8 h LEU 312 CO -0.01 0.39 -0.28 0.00 -0.34 0.00 0.00 178.44 178.20 3hk8 h ALA 313 N 1.63 1.24 0.00 1.25 0.00 -0.64 -1.51 119.26 121.23 3hk8 h ALA 313 Ca 0.03 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 3hk8 h ALA 313 Cb 0.48 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3hk8 h ALA 313 CO 0.03 0.35 -0.31 0.00 0.00 0.00 0.00 179.25 179.32 3hk8 h ARG 314 N 0.00 0.00 0.21 0.00 3.08 -0.97 -3.25 114.38 113.45 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 0.62 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.69 3hk8 h ARG 314 CO 0.04 0.31 -1.61 0.87 -1.07 0.00 0.00 179.97 178.51 3hk8 h LYS 315 N 0.00 0.44 -4.85 0.04 1.79 -1.12 -3.46 116.57 109.41 3hk8 h LYS 315 Ca -0.00 -0.76 -0.62 0.00 -2.18 0.00 0.00 60.65 57.09 3hk8 h LYS 315 Cb 0.83 0.28 -0.35 0.00 -1.58 0.00 0.00 32.23 31.41 3hk8 h LYS 315 CO 0.04 1.36 -0.84 -0.06 -1.08 0.00 0.00 179.45 178.87 3hk8 s PHE 316 N -2.58 2.27 -0.78 -1.35 0.08 -0.80 -4.99 117.98 109.83 3hk8 s PHE 316 Ca -0.14 -1.18 0.24 0.00 0.12 0.00 0.00 56.93 55.97 3hk8 s PHE 316 Cb 0.05 -1.61 0.92 0.00 -0.57 0.00 0.00 43.02 41.81 3hk8 s PHE 316 CO 0.88 -0.60 1.74 -1.13 -0.10 0.00 0.00 175.22 176.02 3hk8 n SER 317 N 4.38 0.44 -0.52 1.36 3.41 -1.26 -2.57 113.62 118.86 3hk8 n SER 317 Ca -0.19 0.57 0.04 0.00 -0.26 0.00 0.00 58.87 59.03 3hk8 n SER 317 Cb 0.51 -0.68 0.12 0.00 -0.26 0.00 0.00 64.21 63.90 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 -1.94 1.51 -4.37 4.04 6.94 -1.26 -4.75 115.26 115.43 3hk8 n ASN 318 Ca 0.05 -2.01 -0.34 0.00 -0.02 0.00 0.00 54.58 52.26 3hk8 n ASN 318 Cb 0.31 -0.20 -0.14 0.00 -2.36 0.00 0.00 39.78 37.40 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 -1.00 2.87 -0.21 -4.53 2.96 -1.06 -0.57 118.68 117.14 3hk8 s LEU 319 Ca 0.18 -0.32 0.01 0.00 -0.22 0.00 0.00 54.13 53.79 3hk8 s LEU 319 Cb 0.10 -1.69 0.04 0.00 0.50 0.00 0.00 46.19 45.14 3hk8 s LEU 319 CO 0.12 0.10 -0.12 -0.32 -1.32 0.00 0.00 176.35 174.81 3hk8 s MET 320 N 0.78 2.27 0.20 1.98 -2.45 0.05 -4.94 119.30 117.19 3hk8 s MET 320 Ca -0.03 -0.95 -0.13 0.00 -1.25 0.00 0.00 55.69 53.33 3hk8 s MET 320 Cb -0.15 -2.54 -0.07 0.00 1.25 0.00 0.00 34.83 33.31 3hk8 s MET 320 CO 0.01 -0.41 0.57 0.96 1.05 0.00 0.00 175.02 177.21 3hk8 s ILE 321 N 1.31 4.86 0.03 10.11 -4.36 -1.26 -1.70 121.20 130.18 3hk8 s ILE 321 Ca -0.02 0.71 -0.03 0.00 -0.26 0.00 0.00 60.65 61.06 3hk8 s ILE 321 Cb -0.16 -3.68 -0.02 0.00 1.25 0.00 0.00 42.46 39.85 3hk8 s ILE 321 CO -0.08 0.07 0.03 0.72 0.24 0.00 0.00 174.94 175.91 3hk8 s PHE 322 N -1.66 0.26 0.16 1.37 -0.12 -0.73 -2.00 117.98 115.26 3hk8 s PHE 322 Ca 0.44 -0.57 0.00 0.00 -0.05 0.00 0.00 56.93 56.75 3hk8 s PHE 322 Cb -0.13 -0.19 0.00 0.00 -0.63 0.00 0.00 43.02 42.07 3hk8 s PHE 322 CO 0.20 -0.29 0.00 0.41 -0.05 0.00 0.00 175.22 175.49 3hk8 n GLY 323 N 1.05 -0.89 2.92 1.99 0.00 0.20 -4.47 105.19 105.99 3hk8 n GLY 323 Ca -0.20 -0.47 -0.30 0.00 0.00 0.00 0.00 46.02 45.05 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 0.06 3.35 0.00 0.00 -0.00 -1.26 -3.20 118.94 117.88 3hk8 s TRP 325 Ca 0.16 1.35 0.00 0.00 -0.00 0.00 0.00 56.10 57.61 3hk8 s TRP 325 Cb -0.24 -3.35 0.00 0.00 -0.00 0.00 0.00 33.47 29.88 3hk8 s TRP 325 CO -0.02 -0.96 0.00 1.87 -0.00 0.00 0.00 176.95 177.84 3hk8 n TRP 326 N 4.79 0.00 0.40 5.86 -0.00 -1.26 -0.72 117.44 126.51 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 0.47 0.00 0.32 0.00 -0.00 0.00 0.00 31.31 32.10 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 0.19 0.45 5.87 3.72 -1.26 -1.41 117.46 125.03 3hk8 n PHE 327 Ca 0.00 0.08 0.12 0.00 -0.05 0.00 0.00 57.45 57.59 3hk8 n PHE 327 Cb 0.00 -0.63 0.09 0.00 -0.94 0.00 0.00 39.48 38.00 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 -1.68 0.37 -1.24 -1.08 2.81 0.10 -4.60 117.12 111.80 3hk8 n MET 328 Ca 0.03 0.07 -0.36 0.00 -1.81 0.00 0.00 57.70 55.63 3hk8 n MET 328 Cb 0.15 -1.69 -0.04 0.00 -0.71 0.00 0.00 33.22 30.93 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 -2.20 8.22 -3.99 7.83 5.15 -0.50 -3.78 115.26 126.00 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 0.47 -1.51 -0.15 0.00 -0.53 0.00 0.00 39.78 38.05 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 0.87 0.20 1.20 0.01 -1.26 -4.98 114.94 113.21 3hk8 s ASN 330 Ca 0.68 -0.13 -0.16 0.00 -0.71 0.00 0.00 52.86 52.53 3hk8 s ASN 330 Cb 0.19 -0.11 0.20 0.00 0.41 0.00 0.00 41.25 41.93 3hk8 s ASN 330 CO -0.05 0.08 1.37 -2.65 -1.51 0.00 0.00 177.10 174.34 3hk8 n PRO 331 N 2.95 -0.22 -0.23 -0.60 -0.02 -1.26 -0.31 135.00 135.32 3hk8 n PRO 331 Ca -0.14 1.36 0.01 0.00 -2.02 0.00 0.00 63.50 62.72 3hk8 n PRO 331 Cb 0.57 -2.02 0.13 0.00 -0.02 0.00 0.00 33.50 32.16 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 0.49 0.06 -0.52 4.57 -1.98 -0.01 114.58 117.20 3hk8 h GLU 332 Ca 0.30 -0.03 -0.23 0.00 -1.18 0.00 0.00 59.36 58.22 3hk8 h GLU 332 Cb 0.52 -0.11 0.02 0.00 -0.16 0.00 0.00 28.75 29.02 3hk8 h GLU 332 CO -0.88 0.33 -0.92 0.82 -1.18 0.00 0.00 179.01 177.18 3hk8 h ILE 333 N 0.51 1.37 -0.66 2.32 1.08 -1.20 -2.94 117.51 117.99 3hk8 h ILE 333 Ca 0.34 -2.30 0.04 0.00 -0.39 0.00 0.00 64.86 62.55 3hk8 h ILE 333 Cb 0.40 2.68 -0.04 0.00 -3.07 0.00 0.00 36.82 36.79 3hk8 h ILE 333 CO -0.30 0.68 0.40 0.40 -0.69 0.00 0.00 178.15 178.65 3hk8 h ILE 334 N 0.07 1.06 0.10 -0.67 2.04 -0.39 -0.01 117.51 119.70 3hk8 h ILE 334 Ca -0.13 -0.27 -0.00 0.00 1.00 0.00 0.00 64.86 65.46 3hk8 h ILE 334 Cb 1.62 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.92 3hk8 h ILE 334 CO 0.18 0.14 -0.05 -1.13 0.00 0.00 0.00 178.15 177.29 3hk8 h ASN 335 N 0.78 -0.12 -0.49 1.72 -0.73 -1.06 -0.18 115.58 115.50 3hk8 h ASN 335 Ca 0.27 -0.02 -0.05 0.00 1.87 0.00 0.00 56.30 58.37 3hk8 h ASN 335 Cb 0.06 0.03 -0.02 0.00 0.27 0.00 0.00 38.32 38.66 3hk8 h ASN 335 CO -0.12 -0.06 0.11 1.05 -0.37 0.00 0.00 177.43 178.04 3hk8 h GLU 336 N -0.16 0.79 -0.14 6.67 4.11 -1.30 -2.20 114.58 122.35 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 0.13 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3hk8 h GLU 336 CO 0.02 0.77 0.07 0.52 0.07 0.00 0.00 179.01 180.46 3hk8 h MET 337 N 0.68 0.20 -0.67 1.06 2.86 -0.91 -1.47 114.93 116.67 3hk8 h MET 337 Ca 0.15 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.74 3hk8 h MET 337 Cb 0.34 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.94 3hk8 h MET 337 CO 0.00 0.25 0.32 1.15 1.06 0.00 0.00 176.91 179.69 3hk8 h THR 338 N 0.10 1.22 -0.20 2.22 2.02 -0.97 -0.42 112.91 116.87 3hk8 h THR 338 Ca 0.05 -0.61 -0.11 0.00 0.77 0.00 0.00 66.41 66.52 3hk8 h THR 338 Cb 0.12 0.36 -0.00 0.00 -1.74 0.00 0.00 68.15 66.88 3hk8 h THR 338 CO -0.01 0.25 -0.29 0.03 0.37 0.00 0.00 175.52 175.88 3hk8 h ARG 339 N 0.95 0.55 -0.79 6.66 3.08 -1.29 -1.29 114.38 122.25 3hk8 h ARG 339 Ca 0.23 -0.32 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 3hk8 h ARG 339 Cb 0.10 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.14 3hk8 h ARG 339 CO -0.03 0.92 0.47 0.52 -1.07 0.00 0.00 179.97 180.79 3hk8 h MET 340 N 0.23 1.08 -0.14 0.04 2.86 -0.99 -1.34 114.93 116.67 3hk8 h MET 340 Ca 0.02 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 3hk8 h MET 340 Cb 0.86 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 32.29 3hk8 h MET 340 CO 0.07 0.77 0.03 0.00 1.06 0.00 0.00 176.91 178.83 3hk8 h ARG 341 N 1.09 0.22 -0.53 1.72 3.08 -0.99 -2.42 114.38 116.54 3hk8 h ARG 341 Ca 0.28 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 60.20 3hk8 h ARG 341 Cb -0.03 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 3hk8 h ARG 341 CO -0.05 0.39 0.04 1.98 -1.07 0.00 0.00 179.97 181.25 3hk8 h MET 342 N 0.02 0.88 -0.86 0.04 4.05 -1.11 0.26 114.93 118.22 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 0.27 -0.10 -0.04 0.00 -0.80 0.00 0.00 31.60 30.92 3hk8 h MET 342 CO 0.00 0.86 0.51 0.93 0.23 0.00 0.00 176.91 179.44 3hk8 h GLU 343 N 0.82 1.16 0.00 0.39 5.08 -1.16 0.28 114.58 121.16 3hk8 h GLU 343 Ca 0.16 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3hk8 h GLU 343 Cb 0.44 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3hk8 h GLU 343 CO 0.02 0.82 -1.42 -1.33 -1.00 0.00 0.00 179.01 176.10 3hk8 n MET 344 N -4.37 0.35 0.00 2.33 2.81 -0.92 -4.60 117.12 112.73 3hk8 n MET 344 Ca 0.09 -0.09 0.00 0.00 -1.81 0.00 0.00 57.70 55.90 3hk8 n MET 344 Cb 0.06 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.08 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 -1.82 0.47 0.00 4.03 4.77 0.91 -4.92 117.00 120.44 3hk8 n LEU 345 Ca 0.01 -0.55 0.00 0.00 -0.03 0.00 0.00 56.01 55.43 3hk8 n LEU 345 Cb 0.43 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 3hk8 n LEU 345 CO 0.43 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 3hk8 n GLY 346 N 0.17 3.74 0.78 -0.72 0.00 1.00 -1.83 105.19 108.33 3hk8 n GLY 346 Ca 0.00 -0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 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 1.64 -1.59 2.61 -2.24 -1.26 -4.29 114.28 109.15 3hk8 n THR 347 Ca 0.00 -1.43 -0.31 0.00 -2.27 0.00 0.00 64.05 60.04 3hk8 n THR 347 Cb 0.00 0.13 -0.05 0.00 -2.10 0.00 0.00 70.33 68.31 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 0.03 7.16 -3.72 3.42 3.41 -0.76 -4.70 113.62 118.46 3hk8 n SER 348 Ca 0.17 -3.02 -0.08 0.00 -0.26 0.00 0.00 58.87 55.68 3hk8 n SER 348 Cb 0.66 -1.34 -0.02 0.00 -0.26 0.00 0.00 64.21 63.25 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 -0.72 -0.29 -0.43 7.33 -0.12 -1.26 -4.81 117.98 117.68 3hk8 s PHE 349 Ca 0.59 -0.09 -0.07 0.00 -0.05 0.00 0.00 56.93 57.32 3hk8 s PHE 349 Cb 0.28 0.66 0.10 0.00 -0.63 0.00 0.00 43.02 43.43 3hk8 s PHE 349 CO -0.13 -1.10 0.26 0.42 -0.05 0.00 0.00 175.22 174.63 3hk8 s ILE 350 N -3.83 3.93 0.36 -4.49 1.01 -0.85 -4.67 121.20 112.66 3hk8 s ILE 350 Ca 0.08 -1.70 0.08 0.00 0.00 0.00 0.00 60.65 59.11 3hk8 s ILE 350 Cb -0.04 -3.53 0.31 0.00 0.01 0.00 0.00 42.46 39.21 3hk8 s ILE 350 CO 0.01 -0.63 1.92 1.55 0.00 0.00 0.00 174.94 177.79 3hk8 h PRO 351 N 8.31 0.70 -3.35 2.79 0.13 -1.85 0.60 132.00 139.34 3hk8 h PRO 351 Ca -0.20 -0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 64.85 3hk8 h PRO 351 Cb 1.07 -0.16 -0.11 0.00 0.13 0.00 0.00 31.00 31.93 3hk8 h PRO 351 CO 0.77 0.46 -0.01 -1.14 -0.23 0.00 0.00 178.00 177.85 3hk8 s GLN 352 N -5.67 1.25 0.05 0.86 2.00 -1.26 -3.38 119.66 113.51 3hk8 s GLN 352 Ca -0.10 -0.80 -0.10 0.00 -2.00 0.00 0.00 55.36 52.36 3hk8 s GLN 352 Cb 0.20 0.50 0.01 0.00 0.80 0.00 0.00 33.01 34.52 3hk8 s GLN 352 CO 0.78 -0.52 0.21 -3.38 -0.50 0.00 0.00 175.29 171.89 3hk8 s HIS 353 N -3.85 0.04 -0.04 1.67 -3.43 -1.26 -4.60 115.29 103.82 3hk8 s HIS 353 Ca 0.07 -0.29 -0.01 0.00 -0.80 0.00 0.00 55.06 54.03 3hk8 s HIS 353 Cb 0.00 -0.01 -0.26 0.00 -1.43 0.00 0.00 32.58 30.88 3hk8 s HIS 353 CO -0.07 -0.47 0.67 0.66 -2.00 0.00 0.00 174.74 173.54 3hk8 h SER 354 N 3.27 0.33 -1.63 7.38 4.64 -1.94 -3.44 113.55 122.15 3hk8 h SER 354 Ca -0.32 -0.57 -0.34 0.00 -0.47 0.00 0.00 61.79 60.09 3hk8 h SER 354 Cb 1.20 -0.11 -0.08 0.00 -0.31 0.00 0.00 62.40 63.10 3hk8 h SER 354 CO 0.49 1.49 -0.38 -0.67 -0.87 0.00 0.00 176.83 176.90 3hk8 n ASP 355 N -3.38 -5.02 -4.73 4.97 -0.08 -0.04 -4.91 116.55 103.36 3hk8 n ASP 355 Ca -0.21 0.20 -0.42 0.00 -1.51 0.00 0.00 54.79 52.84 3hk8 n ASP 355 Cb 1.05 -4.07 -0.02 0.00 2.34 0.00 0.00 41.12 40.42 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 -0.29 2.53 -0.04 -1.67 0.00 -1.26 -4.45 120.51 115.33 3hk8 n ALA 356 Ca -0.19 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.64 3hk8 n ALA 356 Cb 0.61 -2.47 -0.12 0.00 0.00 0.00 0.00 19.45 17.46 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 2.85 1.03 -4.87 0.00 1.74 -1.26 0.33 116.66 116.48 3hk8 n ARG 357 Ca 0.12 -0.08 -0.31 0.00 -0.77 0.00 0.00 57.85 56.81 3hk8 n ARG 357 Cb 0.35 -1.38 -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 -2.74 1.89 0.19 1.55 1.01 -1.26 -4.39 120.40 116.65 3hk8 s VAL 358 Ca -0.07 -0.90 -0.17 0.00 0.00 0.00 0.00 61.98 60.85 3hk8 s VAL 358 Cb 0.07 -1.66 0.16 0.00 0.00 0.00 0.00 36.38 34.96 3hk8 s VAL 358 CO 0.64 0.52 1.33 -0.11 0.00 0.00 0.00 175.10 177.48 3hk8 n LEU 359 N 3.83 -0.62 0.32 3.92 7.94 -0.21 -0.81 117.00 131.38 3hk8 n LEU 359 Ca -0.20 1.50 0.22 0.00 -1.11 0.00 0.00 56.01 56.43 3hk8 n LEU 359 Cb 0.52 -0.32 1.17 0.00 0.53 0.00 0.00 43.42 45.32 3hk8 n LEU 359 CO 0.27 -1.33 1.16 -0.33 -1.11 0.00 0.00 177.39 176.05 3hk8 h GLU 360 N 0.00 0.00 0.00 1.96 3.07 -1.94 -2.71 114.58 114.97 3hk8 h GLU 360 Ca 0.27 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.13 3hk8 h GLU 360 Cb 0.49 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.40 3hk8 h GLU 360 CO -0.85 0.00 -0.00 1.96 -1.40 0.00 0.00 179.01 178.72 3hk8 h GLN 361 N 0.00 0.00 -0.50 2.33 4.20 -1.38 -1.45 115.11 118.31 3hk8 h GLN 361 Ca 0.00 0.00 0.12 0.00 0.06 0.00 0.00 58.65 58.83 3hk8 h GLN 361 Cb 0.01 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 3hk8 h GLN 361 CO 0.00 0.00 0.35 -0.07 -0.67 0.00 0.00 178.83 178.44 3hk8 h LEU 362 N 0.00 0.12 0.72 1.46 3.38 -1.66 0.92 115.31 120.25 3hk8 h LEU 362 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 3hk8 h LEU 362 Cb 0.01 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 40.75 3hk8 h LEU 362 CO 0.00 0.07 -0.34 0.40 0.09 0.00 0.00 178.44 178.66 3hk8 h ILE 363 N 0.13 0.08 -0.19 1.22 2.04 -1.51 -2.68 117.51 116.61 3hk8 h ILE 363 Ca 0.23 -0.27 -0.19 0.00 1.00 0.00 0.00 64.86 65.63 3hk8 h ILE 363 Cb 0.75 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 3hk8 h ILE 363 CO -0.03 0.01 -0.66 0.10 0.00 0.00 0.00 178.15 177.57 3hk8 h TYR 364 N -1.21 0.93 -0.32 1.37 -0.00 -1.61 -1.00 116.97 115.13 3hk8 h TYR 364 Ca -0.10 -0.37 0.05 0.00 0.00 0.00 0.00 58.73 58.31 3hk8 h TYR 364 Cb 0.76 -0.16 -0.05 0.00 0.00 0.00 0.00 36.73 37.28 3hk8 h TYR 364 CO 0.00 1.17 0.04 0.87 -0.00 0.00 0.00 178.16 180.25 3hk8 h LYS 365 N 0.52 0.14 0.01 0.10 1.79 -0.93 0.60 116.57 118.80 3hk8 h LYS 365 Ca -0.02 -0.01 -0.20 0.00 -2.18 0.00 0.00 60.65 58.25 3hk8 h LYS 365 Cb 1.26 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.85 3hk8 h LYS 365 CO 0.13 0.10 -0.92 -1.49 -1.08 0.00 0.00 179.45 176.18 3hk8 h TRP 366 N 0.15 0.07 -0.03 -1.35 4.06 -1.49 -2.52 115.95 114.83 3hk8 h TRP 366 Ca 0.15 -0.05 -0.01 0.00 2.06 0.00 0.00 58.89 61.05 3hk8 h TRP 366 Cb 0.18 -0.01 -0.00 0.00 -1.00 0.00 0.00 29.16 28.34 3hk8 h TRP 366 CO -0.20 0.94 -0.00 1.25 -3.56 0.00 0.00 178.44 176.87 3hk8 h HIS 367 N 0.02 0.06 -0.44 0.49 2.76 -0.84 0.16 115.15 117.36 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 1.61 -0.01 -0.02 0.00 1.55 0.00 0.00 27.41 30.54 3hk8 h HIS 367 CO 0.01 0.38 0.21 0.45 -1.30 0.00 0.00 177.93 177.68 3hk8 h HIS 368 N -0.28 0.64 -0.31 5.26 3.86 -0.97 -2.75 115.15 120.60 3hk8 h HIS 368 Ca 0.01 -0.03 -0.14 0.00 -1.16 0.00 0.00 60.37 59.05 3hk8 h HIS 368 Cb 0.36 -0.20 -0.00 0.00 1.06 0.00 0.00 27.41 28.62 3hk8 h HIS 368 CO 0.04 0.52 -0.35 0.77 0.86 0.00 0.00 177.93 179.78 3hk8 h SER 369 N 0.57 0.84 -1.01 2.45 0.02 -1.47 -3.16 113.55 111.80 3hk8 h SER 369 Ca 0.15 -0.48 0.01 0.00 -0.84 0.00 0.00 61.79 60.63 3hk8 h SER 369 Cb 0.12 -0.24 -0.05 0.00 0.14 0.00 0.00 62.40 62.37 3hk8 h SER 369 CO -0.02 1.15 0.67 0.11 -1.14 0.00 0.00 176.83 177.60 3hk8 h LYS 370 N 0.54 1.32 -0.30 3.45 1.57 -0.91 -0.62 116.57 121.62 3hk8 h LYS 370 Ca 0.04 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 58.68 3hk8 h LYS 370 Cb 0.93 -0.30 -0.02 0.00 0.08 0.00 0.00 32.23 32.93 3hk8 h LYS 370 CO 0.08 0.87 -0.09 0.66 -0.57 0.00 0.00 179.45 180.40 3hk8 h SER 371 N 1.36 0.47 -0.05 0.86 4.64 -1.51 0.88 113.55 120.19 3hk8 h SER 371 Ca 0.37 -0.11 -0.10 0.00 -0.47 0.00 0.00 61.79 61.49 3hk8 h SER 371 Cb -0.14 -0.12 0.01 0.00 -0.31 0.00 0.00 62.40 61.83 3hk8 h SER 371 CO -0.09 0.60 -0.34 0.40 -0.87 0.00 0.00 176.83 176.54 3hk8 h ILE 372 N 0.46 1.44 -0.74 0.95 2.04 -1.40 -2.70 117.51 117.56 3hk8 h ILE 372 Ca 0.09 -1.79 -0.03 0.00 1.00 0.00 0.00 64.86 64.14 3hk8 h ILE 372 Cb 0.44 2.41 -0.03 0.00 -0.74 0.00 0.00 36.82 38.90 3hk8 h ILE 372 CO 0.02 0.51 0.36 0.40 0.00 0.00 0.00 178.15 179.44 3hk8 h ILE 373 N -0.19 1.23 -0.51 -0.67 2.04 -0.95 -1.89 117.51 116.57 3hk8 h ILE 373 Ca -0.03 -0.64 -0.00 0.00 1.00 0.00 0.00 64.86 65.19 3hk8 h ILE 373 Cb 1.01 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 3hk8 h ILE 373 CO 0.07 0.27 0.31 0.00 0.00 0.00 0.00 178.15 178.81 3hk8 h ALA 374 N 1.35 0.65 -0.63 1.87 0.00 -0.84 -0.60 119.26 121.06 3hk8 h ALA 374 Ca 0.25 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 3hk8 h ALA 374 Cb 0.10 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3hk8 h ALA 374 CO -0.03 0.14 0.20 0.93 0.00 0.00 0.00 179.25 180.48 3hk8 h GLU 375 N 0.69 0.96 -0.37 0.00 4.39 -1.09 -0.27 114.58 118.89 3hk8 h GLU 375 Ca 0.18 -0.19 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 3hk8 h GLU 375 Cb -0.02 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.47 3hk8 h GLU 375 CO -0.04 0.83 0.04 0.28 -1.16 0.00 0.00 179.01 178.96 3hk8 h VAL 376 N 0.93 1.25 -0.75 3.13 2.07 -0.96 -2.02 116.25 119.89 3hk8 h VAL 376 Ca 0.21 -0.89 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 3hk8 h VAL 376 Cb 0.27 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 3hk8 h VAL 376 CO -0.01 0.30 0.41 -0.07 0.02 0.00 0.00 177.57 178.23 3hk8 h LEU 377 N 0.45 0.94 -0.61 2.57 3.38 -0.74 -1.25 115.31 120.05 3hk8 h LEU 377 Ca 0.11 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3hk8 h LEU 377 Cb 0.39 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 3hk8 h LEU 377 CO 0.01 0.77 0.37 0.40 0.09 0.00 0.00 178.44 180.08 3hk8 h ILE 378 N 1.04 1.18 -0.34 1.22 2.04 -0.92 0.11 117.51 121.83 3hk8 h ILE 378 Ca 0.27 -0.38 -0.03 0.00 1.00 0.00 0.00 64.86 65.72 3hk8 h ILE 378 Cb 0.03 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.43 3hk8 h ILE 378 CO -0.04 0.18 0.12 0.44 0.00 0.00 0.00 178.15 178.84 3hk8 h ASP 379 N 0.82 0.49 -0.47 1.72 3.32 -0.94 -0.83 116.42 120.54 3hk8 h ASP 379 Ca 0.22 -0.19 -0.10 0.00 0.02 0.00 0.00 57.03 56.98 3hk8 h ASP 379 Cb -0.03 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 3hk8 h ASP 379 CO -0.04 0.55 -0.07 0.11 -1.72 0.00 0.00 179.24 178.07 3hk8 h LYS 380 N 0.41 0.92 -0.35 3.56 6.56 -0.96 -1.46 116.57 125.24 3hk8 h LYS 380 Ca 0.11 -0.31 -0.16 0.00 -1.06 0.00 0.00 60.65 59.23 3hk8 h LYS 380 Cb 0.23 -0.08 -0.01 0.00 -0.57 0.00 0.00 32.23 31.81 3hk8 h LYS 380 CO -0.01 0.96 -0.41 1.88 -2.06 0.00 0.00 179.45 179.81 3hk8 h TYR 381 N 0.84 1.06 -0.51 -1.35 0.05 -0.74 -3.06 116.97 113.25 3hk8 h TYR 381 Ca 0.14 -0.33 -0.04 0.00 0.05 0.00 0.00 58.73 58.55 3hk8 h TYR 381 Cb 0.59 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 38.09 3hk8 h TYR 381 CO 0.04 1.14 0.15 0.22 -1.05 0.00 0.00 178.16 178.65 3hk8 h ASP 382 N 0.71 0.71 -0.74 3.88 3.58 -0.96 -0.05 116.42 123.55 3hk8 h ASP 382 Ca 0.05 -0.11 -0.03 0.00 0.42 0.00 0.00 57.03 57.36 3hk8 h ASP 382 Cb 1.00 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 41.83 3hk8 h ASP 382 CO 0.10 0.68 0.33 0.44 -2.88 0.00 0.00 179.24 177.91 3hk8 h ASP 383 N 0.75 1.00 1.49 2.28 3.32 -1.18 -0.26 116.42 123.82 3hk8 h ASP 383 Ca 0.17 -0.15 -0.10 0.00 0.02 0.00 0.00 57.03 56.97 3hk8 h ASP 383 Cb 0.24 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 3hk8 h ASP 383 CO -0.01 0.87 -0.48 0.16 -1.72 0.00 0.00 179.24 178.06 3hk8 h ILE 384 N 1.06 0.84 -0.52 0.35 3.07 -1.39 -2.75 117.51 118.16 3hk8 h ILE 384 Ca 0.25 -2.16 -0.10 0.00 1.55 0.00 0.00 64.86 64.40 3hk8 h ILE 384 Cb 0.16 2.40 -0.02 0.00 -0.27 0.00 0.00 36.82 39.09 3hk8 h ILE 384 CO -0.03 0.47 -0.06 -0.07 -1.05 0.00 0.00 178.15 177.42 3hk8 h LEU 385 N 0.00 0.96 -1.79 0.16 4.07 -0.64 -0.86 115.31 117.20 3hk8 h LEU 385 Ca -0.00 -0.33 -0.00 0.00 0.08 0.00 0.00 57.88 57.62 3hk8 h LEU 385 Cb 1.36 -0.26 -0.00 0.00 1.08 0.00 0.00 40.66 42.84 3hk8 h LEU 385 CO 0.06 1.06 -0.01 1.56 -1.08 0.00 0.00 178.44 180.04 3hk8 h GLN 386 N 0.83 0.00 -0.01 1.13 4.20 -0.96 -0.88 115.11 119.43 3hk8 h GLN 386 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 3hk8 h GLN 386 Cb 0.61 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.39 3hk8 h GLN 386 CO 0.04 0.01 0.00 0.00 -0.67 0.00 0.00 178.83 178.20 3hk8 n ALA 387 N -2.09 2.63 0.00 3.87 0.00 -0.67 -4.90 120.51 119.35 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 18.36 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 1.08 0.23 3.79 0.00 0.00 -0.33 -5.07 105.19 104.89 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 2.98 -0.19 1.61 -0.11 -0.42 -4.99 118.94 115.83 3hk8 s TRP 389 Ca 0.00 1.58 -0.00 0.00 1.22 0.00 0.00 56.10 58.90 3hk8 s TRP 389 Cb 0.00 -3.11 0.01 0.00 -1.50 0.00 0.00 33.47 28.87 3hk8 s TRP 389 CO 0.00 -0.92 -0.16 -1.21 -4.62 0.00 0.00 176.95 170.04 3hk8 s GLU 390 N -3.13 3.10 -0.16 5.86 2.02 -1.26 -4.18 118.70 120.95 3hk8 s GLU 390 Ca 0.67 -0.77 -0.07 0.00 0.02 0.00 0.00 54.97 54.82 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 0.07 0.54 0.02 0.00 0.00 175.26 175.91 3hk8 s VAL 391 N 1.32 4.86 0.38 2.63 0.11 -1.26 -5.10 120.40 123.35 3hk8 s VAL 391 Ca 0.05 -0.01 -0.03 0.00 -2.93 0.00 0.00 61.98 59.05 3hk8 s VAL 391 Cb -0.13 -3.17 -0.04 0.00 -1.53 0.00 0.00 36.38 31.51 3hk8 s VAL 391 CO -0.10 0.50 0.64 0.42 -3.33 0.00 0.00 175.10 173.23 3hk8 s THR 392 N 0.04 5.00 0.36 5.04 -4.23 -1.26 -4.98 115.64 115.61 3hk8 s THR 392 Ca 0.06 -0.05 0.05 0.00 -1.18 0.00 0.00 61.69 60.57 3hk8 s THR 392 Cb -0.12 -3.82 0.21 0.00 1.34 0.00 0.00 72.50 70.11 3hk8 s THR 392 CO 0.01 -0.59 1.96 -0.08 -0.54 0.00 0.00 174.62 175.37 3hk8 h GLU 393 N 0.85 0.56 -0.21 3.99 4.81 -1.99 -1.85 114.58 120.74 3hk8 h GLU 393 Ca -0.48 -0.08 -0.10 0.00 -0.13 0.00 0.00 59.36 58.57 3hk8 h GLU 393 Cb 1.20 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 3hk8 h GLU 393 CO 0.63 0.48 -0.30 0.93 -0.73 0.00 0.00 179.01 180.02 3hk8 h GLU 394 N 0.56 0.42 -0.21 1.92 4.39 -1.99 -0.85 114.58 118.83 3hk8 h GLU 394 Ca 0.14 -0.17 -0.13 0.00 0.34 0.00 0.00 59.36 59.54 3hk8 h GLU 394 Cb 0.14 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 3hk8 h GLU 394 CO -0.01 0.68 -0.42 0.93 -1.16 0.00 0.00 179.01 179.03 3hk8 h GLU 395 N 0.36 0.49 -0.12 2.33 5.08 -1.75 -0.55 114.58 120.42 3hk8 h GLU 395 Ca 0.05 -0.25 -0.02 0.00 -1.00 0.00 0.00 59.36 58.14 3hk8 h GLU 395 Cb 0.71 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.96 3hk8 h GLU 395 CO 0.05 0.82 0.02 0.82 -1.00 0.00 0.00 179.01 179.72 3hk8 h ILE 396 N 0.40 1.22 -0.80 3.13 2.04 -0.98 0.01 117.51 122.54 3hk8 h ILE 396 Ca 0.03 -0.70 -0.00 0.00 1.00 0.00 0.00 64.86 65.19 3hk8 h ILE 396 Cb 0.90 1.45 -0.04 0.00 -0.74 0.00 0.00 36.82 38.39 3hk8 h ILE 396 CO 0.08 0.21 0.49 0.11 0.00 0.00 0.00 178.15 179.03 3hk8 h LYS 397 N -0.02 1.08 -0.07 2.37 1.57 -1.03 -0.09 116.57 120.38 3hk8 h LYS 397 Ca 0.04 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3hk8 h LYS 397 Cb 0.30 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 3hk8 h LYS 397 CO 0.00 0.75 0.03 -0.09 -0.57 0.00 0.00 179.45 179.57 3hk8 h ARG 398 N 1.10 0.10 -0.59 3.15 2.43 -0.85 -0.46 114.38 119.26 3hk8 h ARG 398 Ca 0.29 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.43 3hk8 h ARG 398 Cb -0.06 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 3hk8 h ARG 398 CO -0.06 0.23 0.34 -0.44 -1.51 0.00 0.00 179.97 178.53 3hk8 h ASP 399 N -0.05 0.72 -0.55 -3.80 3.32 -0.56 -1.89 116.42 113.61 3hk8 h ASP 399 Ca 0.02 -0.08 -0.04 0.00 0.02 0.00 0.00 57.03 56.96 3hk8 h ASP 399 Cb 0.17 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 3hk8 h ASP 399 CO -0.00 0.59 0.21 0.58 -1.72 0.00 0.00 179.24 178.90 3hk8 h VAL 400 N 0.80 1.22 -0.41 -1.35 2.07 -0.94 -2.20 116.25 115.44 3hk8 h VAL 400 Ca 0.21 -0.71 -0.10 0.00 0.82 0.00 0.00 66.70 66.92 3hk8 h VAL 400 Cb 0.01 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 3hk8 h VAL 400 CO -0.04 0.28 -0.14 0.00 0.02 0.00 0.00 177.57 177.69 3hk8 h ALA 401 N 1.38 0.98 -0.19 1.67 0.00 -0.63 -1.77 119.26 120.71 3hk8 h ALA 401 Ca 0.20 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3hk8 h ALA 401 Cb 0.20 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3hk8 h ALA 401 CO -0.01 0.60 0.04 -0.44 0.00 0.00 0.00 179.25 179.44 3hk8 h ASP 402 N 0.68 0.28 -0.13 0.00 3.32 -0.89 0.10 116.42 119.78 3hk8 h ASP 402 Ca 0.11 -0.24 -0.00 0.00 0.02 0.00 0.00 57.03 56.92 3hk8 h ASP 402 Cb 0.62 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 3hk8 h ASP 402 CO 0.04 0.45 0.06 -0.07 -1.72 0.00 0.00 179.24 178.00 3hk8 h LEU 403 N 0.11 0.18 -0.22 1.55 3.38 -1.29 -0.64 115.31 118.38 3hk8 h LEU 403 Ca 0.06 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3hk8 h LEU 403 Cb 0.28 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3hk8 h LEU 403 CO 0.00 0.25 -0.33 0.49 0.09 0.00 0.00 178.44 178.94 3hk8 n PHE 404 N -4.92 0.00 0.07 1.13 3.72 -0.68 -4.32 117.46 112.47 3hk8 n PHE 404 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 3hk8 n PHE 404 Cb 0.09 -0.21 0.00 0.00 -0.94 0.00 0.00 39.48 38.43 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 -1.11 -1.20 -0.23 4.37 2.88 -0.50 -1.92 113.62 115.92 3hk8 n SER 405 Ca 0.09 0.27 -0.05 0.00 -1.33 0.00 0.00 58.87 57.86 3hk8 n SER 405 Cb 0.33 1.42 0.11 0.00 -0.75 0.00 0.00 64.21 65.32 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 1.06 -0.94 -1.46 3.08 -0.89 -2.84 114.38 112.39 3hk8 h ARG 406 Ca 0.00 -0.21 0.04 0.00 0.07 0.00 0.00 59.98 59.88 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 0.90 0.61 -0.91 -1.07 0.00 0.00 179.97 179.50 3hk8 h ASN 407 N 1.03 1.00 0.45 7.04 2.35 -1.32 0.12 115.58 126.25 3hk8 h ASN 407 Ca 0.23 -0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.95 3hk8 h ASN 407 Cb 0.28 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.43 3hk8 h ASN 407 CO -0.01 0.67 -0.22 0.15 -1.65 0.00 0.00 177.43 176.37 3hk8 h PHE 408 N 1.16 -0.57 -0.30 1.19 3.57 -1.75 -0.98 116.94 119.26 3hk8 h PHE 408 Ca 0.39 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.87 3hk8 h PHE 408 Cb 0.05 0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 3hk8 h PHE 408 CO -0.01 -0.25 0.17 -1.49 -2.23 0.00 0.00 178.31 174.50 3hk8 h TRP 409 N -0.85 0.39 -0.32 0.41 4.06 -1.31 -0.72 115.95 117.61 3hk8 h TRP 409 Ca -0.06 0.00 -0.18 0.00 2.06 0.00 0.00 58.89 60.71 3hk8 h TRP 409 Cb 0.57 -0.13 -0.00 0.00 -1.00 0.00 0.00 29.16 28.60 3hk8 h TRP 409 CO 0.00 0.27 -0.49 -0.09 -3.56 0.00 0.00 178.44 174.57 3hk8 h ARG 410 N 0.41 0.90 -0.28 0.49 2.43 -0.72 -1.87 114.38 115.73 3hk8 h ARG 410 Ca 0.11 -0.54 -0.07 0.00 -0.81 0.00 0.00 59.98 58.67 3hk8 h ARG 410 Cb -0.00 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 3hk8 h ARG 410 CO -0.02 1.18 -0.11 0.35 -1.51 0.00 0.00 179.97 179.86 3hk8 h PHE 411 N 0.69 0.66 0.00 2.20 3.57 -0.22 -2.70 116.94 121.14 3hk8 h PHE 411 Ca 0.03 -0.16 0.00 0.00 3.53 0.00 0.00 57.97 61.37 3hk8 h PHE 411 Cb 1.10 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.68 3hk8 h PHE 411 CO 0.07 0.80 0.00 -0.39 -2.23 0.00 0.00 178.31 176.56 3hk8 h VAL 412 N 0.32 0.00 0.00 1.41 -1.51 -1.21 -3.46 116.25 111.80 3hk8 h VAL 412 Ca 0.07 -0.43 0.00 0.00 -1.23 0.00 0.00 66.70 65.11 3hk8 h VAL 412 Cb 0.62 1.31 0.00 0.00 -2.13 0.00 0.00 31.29 31.09 3hk8 h VAL 412 CO 0.04 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.99