#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vhj s THR 3 N 0.00 2.55 0.23 0.00 -4.23 -1.05 -5.03 115.64 108.11 1vhj s THR 3 Ca 0.00 -0.69 -0.05 0.00 -1.18 0.00 0.00 61.69 59.77 1vhj s THR 3 Cb 0.00 -2.86 0.13 0.00 1.34 0.00 0.00 72.50 71.11 1vhj s THR 3 CO 0.00 0.00 1.75 -0.65 -0.54 0.00 0.00 174.62 175.18 1vhj h PRO 4 N -0.01 1.00 0.00 3.99 0.11 -2.02 -3.27 132.00 131.80 1vhj h PRO 4 Ca -0.40 -0.24 0.00 0.00 0.11 0.00 0.00 66.00 65.47 1vhj h PRO 4 Cb 1.29 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1vhj h PRO 4 CO 0.49 0.90 -1.10 0.72 -0.21 0.00 0.00 178.00 178.80 1vhj n HIS 5 N -4.24 0.00 -3.96 0.65 8.25 -1.26 -4.89 115.22 109.77 1vhj n HIS 5 Ca 0.04 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.21 1vhj n HIS 5 Cb 0.26 -0.08 -0.16 0.00 1.12 0.00 0.00 29.99 31.12 1vhj n HIS 5 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1vhj s ILE 6 N -2.94 1.39 -1.17 1.59 1.01 -1.23 -4.56 121.20 115.29 1vhj s ILE 6 Ca 0.05 -0.70 -0.04 0.00 0.00 0.00 0.00 60.65 59.96 1vhj s ILE 6 Cb 0.14 -1.44 0.23 0.00 0.01 0.00 0.00 42.46 41.40 1vhj s ILE 6 CO 0.80 0.27 2.04 -0.46 0.00 0.00 0.00 174.94 177.59 1vhj n ASN 7 N 4.80 7.47 -4.25 3.58 6.94 -1.26 -2.51 115.26 130.02 1vhj n ASN 7 Ca -0.14 -3.41 -0.26 0.00 -0.02 0.00 0.00 54.58 50.74 1vhj n ASN 7 Cb 0.48 -1.27 -0.08 0.00 -2.36 0.00 0.00 39.78 36.55 1vhj n ASN 7 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1vhj s ALA 8 N -2.64 3.07 0.27 -2.53 0.00 -1.26 -4.64 121.76 114.03 1vhj s ALA 8 Ca 0.45 -1.18 0.10 0.00 0.00 0.00 0.00 51.96 51.33 1vhj s ALA 8 Cb 0.17 0.63 -0.04 0.00 0.00 0.00 0.00 23.12 23.88 1vhj s ALA 8 CO -0.09 -0.28 -0.05 -0.65 0.00 0.00 0.00 175.76 174.69 1vhj s GLN 9 N -3.75 2.15 0.21 0.00 1.11 -1.26 -1.28 119.66 116.84 1vhj s GLN 9 Ca 0.22 -1.50 -0.32 0.00 0.01 0.00 0.00 55.36 53.77 1vhj s GLN 9 Cb 0.03 -2.07 -0.13 0.00 -1.01 0.00 0.00 33.01 29.83 1vhj s GLN 9 CO 0.13 0.36 1.58 -0.12 0.01 0.00 0.00 175.29 177.24 1vhj n MET 10 N -0.83 2.36 0.00 2.91 1.56 -1.26 -1.35 117.12 120.51 1vhj n MET 10 Ca -0.06 0.85 0.00 0.00 -0.27 0.00 0.00 57.70 58.22 1vhj n MET 10 Cb 0.59 -2.61 0.00 0.00 2.15 0.00 0.00 33.22 33.35 1vhj n MET 10 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1vhj n GLY 11 N 3.08 0.31 0.18 -5.12 0.00 -1.26 -4.92 105.19 97.46 1vhj n GLY 11 Ca 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.14 1vhj n GLY 11 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1vhj h ASP 12 N 0.00 0.23 -3.05 1.61 5.19 -1.59 -3.43 116.42 115.39 1vhj h ASP 12 Ca 0.00 -0.11 -0.60 0.00 -0.62 0.00 0.00 57.03 55.71 1vhj h ASP 12 Cb 0.00 -0.06 -0.04 0.00 0.18 0.00 0.00 39.33 39.41 1vhj h ASP 12 CO 0.00 0.67 -0.39 -0.36 -3.12 0.00 0.00 179.24 176.04 1vhj s PHE 13 N -4.01 3.49 1.06 4.55 0.40 -1.26 -4.68 117.98 117.53 1vhj s PHE 13 Ca -0.04 0.42 -0.18 0.00 -0.60 0.00 0.00 56.93 56.53 1vhj s PHE 13 Cb 0.13 -1.90 0.24 0.00 0.51 0.00 0.00 43.02 42.01 1vhj s PHE 13 CO 0.78 0.50 1.28 0.00 0.70 0.00 0.00 175.22 178.47 1vhj s ALA 14 N -1.60 1.70 -1.12 5.36 0.00 -1.26 -4.96 121.76 119.88 1vhj s ALA 14 Ca 0.38 -1.21 0.29 0.00 0.00 0.00 0.00 51.96 51.43 1vhj s ALA 14 Cb -0.12 -2.78 1.32 0.00 0.00 0.00 0.00 23.12 21.53 1vhj s ALA 14 CO 0.26 -2.88 1.96 -0.40 0.00 0.00 0.00 175.76 174.70 1vhj n ASP 15 N -4.13 0.00 -4.11 0.00 3.85 -1.26 -4.62 116.55 106.29 1vhj n ASP 15 Ca 0.16 0.32 -0.27 0.00 -0.71 0.00 0.00 54.79 54.29 1vhj n ASP 15 Cb 0.59 -0.44 -0.16 0.00 -1.35 0.00 0.00 41.12 39.76 1vhj n ASP 15 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1vhj s VAL 16 N -2.88 1.44 -0.08 2.12 0.11 -1.26 -1.25 120.40 118.61 1vhj s VAL 16 Ca 0.18 -0.68 0.02 0.00 -2.93 0.00 0.00 61.98 58.56 1vhj s VAL 16 Cb 0.19 -1.27 0.02 0.00 -1.53 0.00 0.00 36.38 33.79 1vhj s VAL 16 CO 0.51 0.42 -0.11 -0.69 -3.33 0.00 0.00 175.10 171.90 1vhj s VAL 17 N 0.36 1.09 -0.02 2.04 1.01 -0.50 -2.34 120.40 122.04 1vhj s VAL 17 Ca -0.12 -0.42 -0.18 0.00 0.00 0.00 0.00 61.98 61.26 1vhj s VAL 17 Cb -0.15 -1.02 -0.05 0.00 0.00 0.00 0.00 36.38 35.16 1vhj s VAL 17 CO 0.04 0.35 0.50 -0.76 0.00 0.00 0.00 175.10 175.24 1vhj s LEU 18 N 0.92 4.41 -0.23 3.92 1.02 0.58 -1.27 118.68 128.02 1vhj s LEU 18 Ca -0.10 1.02 -0.02 0.00 0.02 0.00 0.00 54.13 55.05 1vhj s LEU 18 Cb -0.15 -2.76 0.07 0.00 0.02 0.00 0.00 46.19 43.38 1vhj s LEU 18 CO 0.01 0.16 0.05 -0.04 0.02 0.00 0.00 176.35 176.55 1vhj s MET 19 N -0.35 0.69 0.59 1.70 -1.94 0.15 -1.03 119.30 119.12 1vhj s MET 19 Ca 0.27 -0.64 -0.03 0.00 -1.71 0.00 0.00 55.69 53.58 1vhj s MET 19 Cb -0.17 -2.04 0.03 0.00 2.01 0.00 0.00 34.83 34.66 1vhj s MET 19 CO 0.14 -0.76 0.87 -1.25 -0.01 0.00 0.00 175.02 174.01 1vhj s PRO 20 N 1.78 2.64 0.00 2.03 0.04 -1.24 -2.01 135.00 138.26 1vhj s PRO 20 Ca 0.02 -0.33 -0.20 0.00 0.04 0.00 0.00 61.00 60.53 1vhj s PRO 20 Cb -0.17 -2.34 -0.25 0.00 0.04 0.00 0.00 34.50 31.78 1vhj s PRO 20 CO -0.14 -0.79 1.07 0.78 0.04 0.00 0.00 177.00 177.96 1vhj h GLY 21 N -0.15 0.47 -4.87 0.56 0.00 -1.82 -2.13 103.07 95.13 1vhj h GLY 21 Ca -0.44 -0.88 -0.56 0.00 0.00 0.00 0.00 47.33 45.44 1vhj h GLY 21 CO 0.58 0.78 0.59 -0.35 0.00 0.00 0.00 176.54 178.14 1vhj s ASP 22 N -6.85 7.18 0.51 0.19 -1.08 -1.26 -1.85 116.67 113.51 1vhj s ASP 22 Ca -0.13 1.46 0.23 0.00 -0.52 0.00 0.00 52.55 53.59 1vhj s ASP 22 Cb 0.03 -2.54 1.38 0.00 -1.46 0.00 0.00 42.92 40.33 1vhj s ASP 22 CO 0.84 -0.48 2.09 1.55 0.52 0.00 0.00 175.17 179.69 1vhj h PRO 23 N 7.19 0.00 -0.01 4.34 0.13 -1.87 -0.40 132.00 141.38 1vhj h PRO 23 Ca -0.29 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.71 1vhj h PRO 23 Cb 1.13 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 1vhj h PRO 23 CO 0.88 0.10 -0.64 -0.07 -0.23 0.00 0.00 178.00 178.04 1vhj h LEU 24 N 0.00 0.05 -0.86 1.56 3.38 -1.92 -1.85 115.31 115.67 1vhj h LEU 24 Ca -0.00 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.82 1vhj h LEU 24 Cb 0.23 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1vhj h LEU 24 CO 0.01 0.68 -0.52 0.03 0.09 0.00 0.00 178.44 178.73 1vhj h ARG 25 N 0.03 0.12 -0.51 1.13 3.08 -1.49 0.38 114.38 117.12 1vhj h ARG 25 Ca -0.01 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 59.90 1vhj h ARG 25 Cb 1.13 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.17 1vhj h ARG 25 CO 0.09 0.61 0.02 0.00 -1.07 0.00 0.00 179.97 179.62 1vhj h ALA 26 N 1.37 1.08 -0.41 0.04 0.00 -1.10 0.34 119.26 120.58 1vhj h ALA 26 Ca -0.00 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.55 1vhj h ALA 26 Cb 0.96 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1vhj h ALA 26 CO 0.07 0.58 -0.10 -0.22 0.00 0.00 0.00 179.25 179.59 1vhj h LYS 27 N 0.79 0.80 -0.80 0.00 3.64 -0.44 -1.33 116.57 119.22 1vhj h LYS 27 Ca 0.15 -0.31 -0.05 0.00 -1.27 0.00 0.00 60.65 59.18 1vhj h LYS 27 Cb 0.44 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.18 1vhj h LYS 27 CO 0.02 0.93 0.32 -0.92 -2.27 0.00 0.00 179.45 177.52 1vhj h TYR 28 N 0.62 1.22 -0.03 1.91 5.03 -0.48 -1.02 116.97 124.22 1vhj h TYR 28 Ca 0.10 -0.09 -0.01 0.00 2.58 0.00 0.00 58.73 61.31 1vhj h TYR 28 Cb 0.63 -0.37 -0.00 0.00 1.55 0.00 0.00 36.73 38.55 1vhj h TYR 28 CO 0.05 0.92 -0.02 0.82 -1.32 0.00 0.00 178.16 178.61 1vhj h ILE 29 N 1.17 1.37 -0.71 1.81 2.04 -0.80 -1.73 117.51 120.66 1vhj h ILE 29 Ca 0.27 -1.12 0.04 0.00 1.00 0.00 0.00 64.86 65.05 1vhj h ILE 29 Cb 0.22 2.06 -0.04 0.00 -0.74 0.00 0.00 36.82 38.32 1vhj h ILE 29 CO -0.02 0.30 0.47 0.00 0.00 0.00 0.00 178.15 178.89 1vhj h ALA 30 N 0.55 1.62 0.01 1.87 0.00 -1.12 0.15 119.26 122.34 1vhj h ALA 30 Ca 0.01 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1vhj h ALA 30 Cb 0.50 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.07 1vhj h ALA 30 CO 0.01 0.30 -0.41 0.93 0.00 0.00 0.00 179.25 180.07 1vhj h GLU 31 N 0.83 0.27 0.00 0.00 5.08 -1.19 -3.22 114.58 116.35 1vhj h GLU 31 Ca 0.29 -0.30 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1vhj h GLU 31 Cb 0.10 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 1vhj h GLU 31 CO -0.08 1.01 -1.25 0.09 -1.00 0.00 0.00 179.01 177.78 1vhj n ASN 32 N -4.38 0.64 -0.00 1.42 3.02 -0.65 -4.52 115.26 110.79 1vhj n ASN 32 Ca -0.10 0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.70 1vhj n ASN 32 Cb 0.59 0.82 -0.01 0.00 -0.61 0.00 0.00 39.78 40.57 1vhj n ASN 32 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1vhj n PHE 33 N -2.58 0.00 -4.09 3.10 3.01 0.52 -5.05 117.46 112.37 1vhj n PHE 33 Ca -0.01 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.19 1vhj n PHE 33 Cb 0.56 -0.02 -0.05 0.00 -0.01 0.00 0.00 39.48 39.96 1vhj n PHE 33 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1vhj s LEU 34 N -2.83 3.78 -0.15 4.37 1.43 -1.17 -4.84 118.68 119.29 1vhj s LEU 34 Ca -0.00 -0.15 -0.07 0.00 -1.03 0.00 0.00 54.13 52.87 1vhj s LEU 34 Cb 0.01 -2.39 -0.04 0.00 0.03 0.00 0.00 46.19 43.80 1vhj s LEU 34 CO 0.04 0.06 0.10 -1.81 0.23 0.00 0.00 176.35 174.97 1vhj s ASP 35 N -3.17 6.02 -1.33 2.29 1.01 0.12 -4.52 116.67 117.08 1vhj s ASP 35 Ca 0.31 0.28 -0.04 0.00 0.71 0.00 0.00 52.55 53.81 1vhj s ASP 35 Cb -0.10 -1.97 0.02 0.00 1.01 0.00 0.00 42.92 41.88 1vhj s ASP 35 CO 0.23 0.30 0.90 0.59 0.21 0.00 0.00 175.17 177.40 1vhj n ASN 36 N 2.70 -2.82 -4.73 0.27 3.02 -1.26 -1.32 115.26 111.12 1vhj n ASN 36 Ca -0.18 -0.73 -0.41 0.00 -0.03 0.00 0.00 54.58 53.23 1vhj n ASN 36 Cb 0.53 -4.41 -0.03 0.00 -0.61 0.00 0.00 39.78 35.26 1vhj n ASN 36 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1vhj s ALA 37 N -3.48 3.39 -0.05 5.41 0.00 -1.26 -4.58 121.76 121.19 1vhj s ALA 37 Ca 0.22 0.86 0.06 0.00 0.00 0.00 0.00 51.96 53.10 1vhj s ALA 37 Cb -0.10 -3.40 -0.01 0.00 0.00 0.00 0.00 23.12 19.61 1vhj s ALA 37 CO 0.78 -0.33 -0.23 0.54 0.00 0.00 0.00 175.76 176.52 1vhj s VAL 38 N 0.26 1.92 0.11 0.00 0.11 0.07 -4.94 120.40 117.93 1vhj s VAL 38 Ca 0.53 -0.99 -0.30 0.00 -2.93 0.00 0.00 61.98 58.29 1vhj s VAL 38 Cb -0.30 -1.63 -0.07 0.00 -1.53 0.00 0.00 36.38 32.85 1vhj s VAL 38 CO 0.33 0.54 1.23 -1.58 -3.33 0.00 0.00 175.10 172.29 1vhj s GLN 39 N -0.13 4.43 0.00 1.54 0.74 -1.26 -1.03 119.66 123.95 1vhj s GLN 39 Ca -0.03 1.84 0.08 0.00 0.05 0.00 0.00 55.36 57.30 1vhj s GLN 39 Cb -0.13 -3.30 0.02 0.00 1.10 0.00 0.00 33.01 30.70 1vhj s GLN 39 CO 0.03 -0.23 0.63 1.33 -0.55 0.00 0.00 175.29 176.50 1vhj n VAL 40 N 3.51 0.00 -3.54 1.34 0.24 0.53 -4.92 118.33 115.49 1vhj n VAL 40 Ca 0.08 -0.45 -0.10 0.00 -2.04 0.00 0.00 64.34 61.84 1vhj n VAL 40 Cb 0.45 1.12 -0.04 0.00 -1.47 0.00 0.00 33.84 33.91 1vhj n VAL 40 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1vhj n ASP 42 N 0.26 0.00 -4.70 0.00 3.85 -1.25 -2.65 116.55 112.06 1vhj n ASP 42 Ca -0.09 -1.14 -0.44 0.00 -0.71 0.00 0.00 54.79 52.41 1vhj n ASP 42 Cb 0.60 -0.03 -0.03 0.00 -1.35 0.00 0.00 41.12 40.30 1vhj n ASP 42 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.20 176.71 1vhj n VAL 43 N 0.00 0.10 -2.19 2.12 0.31 -1.26 -1.23 118.33 116.18 1vhj n VAL 43 Ca 0.00 -0.03 -0.19 0.00 -0.01 0.00 0.00 64.34 64.11 1vhj n VAL 43 Cb 0.53 -1.79 -0.03 0.00 -0.91 0.00 0.00 33.84 31.64 1vhj n VAL 43 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1vhj n ARG 44 N 3.56 -1.51 -1.52 5.55 1.74 -1.26 -1.01 116.66 122.21 1vhj n ARG 44 Ca 0.16 1.00 -0.18 0.00 -0.77 0.00 0.00 57.85 58.06 1vhj n ARG 44 Cb 0.32 -5.52 -0.07 0.00 -1.02 0.00 0.00 32.46 26.17 1vhj n ARG 44 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1vhj n ASN 45 N -1.58 -5.11 -4.36 0.55 3.02 -0.37 -4.91 115.26 102.49 1vhj n ASN 45 Ca -0.22 0.43 -0.46 0.00 -0.03 0.00 0.00 54.58 54.30 1vhj n ASN 45 Cb 0.67 -4.16 -0.02 0.00 -0.61 0.00 0.00 39.78 35.65 1vhj n ASN 45 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1vhj s MET 46 N -3.50 3.58 0.17 3.52 1.75 -0.18 -4.81 119.30 119.82 1vhj s MET 46 Ca 0.00 -2.24 -0.30 0.00 -1.25 0.00 0.00 55.69 51.90 1vhj s MET 46 Cb 0.00 -4.56 -0.08 0.00 2.84 0.00 0.00 34.83 33.03 1vhj s MET 46 CO 0.00 -1.43 1.34 -0.06 -0.65 0.00 0.00 175.02 174.22 1vhj s PHE 47 N 0.92 3.25 -0.03 4.11 2.99 -1.26 -3.97 117.98 123.99 1vhj s PHE 47 Ca 0.22 1.12 0.02 0.00 0.00 0.00 0.00 56.93 58.28 1vhj s PHE 47 Cb -0.09 -3.64 0.01 0.00 0.00 0.00 0.00 43.02 39.30 1vhj s PHE 47 CO -0.09 -2.09 -0.08 0.20 -0.00 0.00 0.00 175.22 173.17 1vhj s GLY 48 N 0.64 0.50 0.17 4.36 0.00 -1.08 -1.71 107.32 110.19 1vhj s GLY 48 Ca 0.60 -0.25 0.05 0.00 0.00 0.00 0.00 44.72 45.11 1vhj s GLY 48 CO 0.35 0.05 -0.09 -0.19 0.00 0.00 0.00 173.10 173.22 1vhj s TYR 49 N 0.37 1.36 -0.06 1.90 1.51 0.10 -0.34 117.35 122.18 1vhj s TYR 49 Ca -0.06 -0.76 0.01 0.00 -1.01 0.00 0.00 57.07 55.25 1vhj s TYR 49 Cb -0.10 -0.70 0.02 0.00 -0.11 0.00 0.00 41.96 41.07 1vhj s TYR 49 CO 0.01 0.09 -0.06 0.99 -1.11 0.00 0.00 175.55 175.47 1vhj s THR 50 N -3.30 0.75 0.00 -0.71 2.01 -0.20 -1.08 115.64 113.11 1vhj s THR 50 Ca 0.19 -0.21 0.00 0.00 0.31 0.00 0.00 61.69 61.98 1vhj s THR 50 Cb 0.03 -0.76 0.00 0.00 0.01 0.00 0.00 72.50 71.78 1vhj s THR 50 CO 0.02 0.29 0.00 0.61 -0.69 0.00 0.00 174.62 174.85 1vhj n GLY 51 N 4.29 5.28 2.92 4.40 0.00 0.01 -0.75 105.19 121.34 1vhj n GLY 51 Ca -0.20 -1.43 -0.12 0.00 0.00 0.00 0.00 46.02 44.27 1vhj n GLY 51 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1vhj s THR 52 N -0.81 -0.00 -0.23 2.61 -1.32 -0.43 -1.43 115.64 114.01 1vhj s THR 52 Ca 0.00 0.01 0.01 0.00 -1.21 0.00 0.00 61.69 60.51 1vhj s THR 52 Cb 0.00 -0.08 0.06 0.00 -1.51 0.00 0.00 72.50 70.96 1vhj s THR 52 CO 0.00 0.01 -0.08 -0.47 -2.21 0.00 0.00 174.62 171.87 1vhj s TYR 53 N 0.10 2.59 -1.51 9.09 6.14 0.11 0.13 117.35 134.00 1vhj s TYR 53 Ca -0.01 -1.84 -0.12 0.00 0.64 0.00 0.00 57.07 55.74 1vhj s TYR 53 Cb -0.01 -1.67 0.07 0.00 0.42 0.00 0.00 41.96 40.77 1vhj s TYR 53 CO -0.00 -0.79 0.95 1.63 0.64 0.00 0.00 175.55 177.98 1vhj n LYS 54 N 4.62 -5.46 -0.44 4.97 5.02 -1.26 0.19 118.16 125.80 1vhj n LYS 54 Ca -0.13 0.60 0.00 0.00 -2.02 0.00 0.00 58.31 56.76 1vhj n LYS 54 Cb 0.44 -5.45 0.00 0.00 -0.02 0.00 0.00 35.03 30.01 1vhj n LYS 54 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1vhj n GLY 55 N -1.69 1.85 3.75 0.72 0.00 -1.26 -5.02 105.19 103.54 1vhj n GLY 55 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1vhj n GLY 55 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1vhj s ARG 56 N -0.10 4.10 0.07 1.61 3.00 0.13 -5.03 118.95 122.73 1vhj s ARG 56 Ca 0.00 -0.19 -0.31 0.00 -1.00 0.00 0.00 55.73 54.23 1vhj s ARG 56 Cb 0.00 -3.39 -0.09 0.00 0.00 0.00 0.00 34.95 31.47 1vhj s ARG 56 CO 0.00 0.36 1.76 1.03 0.00 0.00 0.00 175.30 178.45 1vhj s ARG 57 N 0.19 4.17 -0.02 5.12 1.81 -1.26 0.07 118.95 129.02 1vhj s ARG 57 Ca 0.09 2.45 -0.01 0.00 -1.72 0.00 0.00 55.73 56.54 1vhj s ARG 57 Cb -0.11 -3.71 0.01 0.00 -0.45 0.00 0.00 34.95 30.68 1vhj s ARG 57 CO -0.01 -0.81 0.04 0.42 -0.68 0.00 0.00 175.30 174.26 1vhj s ILE 58 N 3.06 -0.01 0.16 1.52 1.01 -0.52 -4.71 121.20 121.71 1vhj s ILE 58 Ca 0.78 0.03 0.07 0.00 0.00 0.00 0.00 60.65 61.54 1vhj s ILE 58 Cb -0.42 -0.07 -0.04 0.00 0.01 0.00 0.00 42.46 41.94 1vhj s ILE 58 CO 0.35 0.01 -0.03 -0.44 0.00 0.00 0.00 174.94 174.83 1vhj s SER 59 N 0.17 4.66 -0.03 3.58 0.01 -0.99 -0.81 113.70 120.30 1vhj s SER 59 Ca -0.01 -0.41 0.01 0.00 1.31 0.00 0.00 55.95 56.84 1vhj s SER 59 Cb -0.02 -0.96 0.03 0.00 0.21 0.00 0.00 66.02 65.28 1vhj s SER 59 CO -0.00 0.10 -0.01 0.54 0.41 0.00 0.00 173.24 174.28 1vhj s VAL 60 N -1.65 0.23 -0.13 3.43 0.11 -0.24 -0.30 120.40 121.84 1vhj s VAL 60 Ca 0.26 0.05 -0.11 0.00 -2.93 0.00 0.00 61.98 59.25 1vhj s VAL 60 Cb -0.09 -0.32 0.04 0.00 -1.53 0.00 0.00 36.38 34.48 1vhj s VAL 60 CO 0.18 0.16 0.34 -0.32 -3.33 0.00 0.00 175.10 172.12 1vhj s MET 61 N 0.98 0.39 0.55 1.54 0.00 -0.20 0.02 119.30 122.58 1vhj s MET 61 Ca -0.10 0.51 -0.17 0.00 0.00 0.00 0.00 55.69 55.93 1vhj s MET 61 Cb -0.14 0.15 -0.05 0.00 0.00 0.00 0.00 34.83 34.79 1vhj s MET 61 CO -0.01 -0.07 1.04 0.20 0.00 0.00 0.00 175.02 176.18 1vhj s GLY 62 N 0.38 2.23 -0.04 2.11 0.00 -0.69 -3.67 107.32 107.63 1vhj s GLY 62 Ca -0.02 0.43 0.06 0.00 0.00 0.00 0.00 44.72 45.19 1vhj s GLY 62 CO -0.01 0.75 0.95 -2.39 0.00 0.00 0.00 173.10 172.39 1vhj n HIS 63 N -1.67 0.00 -2.97 1.90 1.44 -0.80 -4.85 115.22 108.26 1vhj n HIS 63 Ca 0.09 -0.48 0.07 0.00 -2.01 0.00 0.00 57.72 55.39 1vhj n HIS 63 Cb 0.53 -0.07 -0.02 0.00 0.12 0.00 0.00 29.99 30.55 1vhj n HIS 63 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1vhj n GLY 64 N -0.60 -1.60 3.69 -1.39 0.00 -0.77 -2.91 105.19 101.60 1vhj n GLY 64 Ca 0.05 -1.17 -0.34 0.00 0.00 0.00 0.00 46.02 44.55 1vhj n GLY 64 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1vhj s MET 65 N -0.94 2.94 0.00 1.61 1.00 -1.26 -4.64 119.30 118.01 1vhj s MET 65 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 55.69 55.23 1vhj s MET 65 Cb 0.00 -2.77 0.00 0.00 0.00 0.00 0.00 34.83 32.06 1vhj s MET 65 CO 0.00 0.68 0.00 0.41 0.00 0.00 0.00 175.02 176.11 1vhj n GLY 66 N 1.90 0.22 0.21 -0.03 0.00 -1.26 -4.49 105.19 101.74 1vhj n GLY 66 Ca -0.17 -1.63 -0.07 0.00 0.00 0.00 0.00 46.02 44.15 1vhj n GLY 66 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1vhj h ILE 67 N 0.00 0.53 -0.95 -0.61 2.04 -1.82 -1.59 117.51 115.10 1vhj h ILE 67 Ca 0.00 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.87 1vhj h ILE 67 Cb 0.00 0.53 -0.05 0.00 -0.74 0.00 0.00 36.82 36.56 1vhj h ILE 67 CO 0.00 0.00 0.63 -0.65 0.00 0.00 0.00 178.15 178.13 1vhj h PRO 68 N -0.13 1.24 0.02 2.37 0.11 -1.92 0.20 132.00 133.90 1vhj h PRO 68 Ca 0.15 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 66.18 1vhj h PRO 68 Cb 0.36 -0.28 0.00 0.00 0.11 0.00 0.00 31.00 31.19 1vhj h PRO 68 CO -0.36 0.82 -0.01 1.03 -0.21 0.00 0.00 178.00 179.27 1vhj h SER 69 N 1.28 -0.02 -0.07 -2.05 0.87 -1.71 -2.92 113.55 108.92 1vhj h SER 69 Ca 0.36 -0.50 -0.05 0.00 -1.23 0.00 0.00 61.79 60.36 1vhj h SER 69 Cb -0.12 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 1vhj h SER 69 CO -0.08 0.49 -0.10 0.00 -0.53 0.00 0.00 176.83 176.61 1vhj h SER 71 N 0.34 0.94 -0.22 0.00 0.02 -0.60 0.15 113.55 114.17 1vhj h SER 71 Ca 0.07 -0.13 0.02 0.00 -0.84 0.00 0.00 61.79 60.91 1vhj h SER 71 Cb 0.38 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 1vhj h SER 71 CO 0.02 0.80 0.09 0.40 -1.14 0.00 0.00 176.83 177.00 1vhj h ILE 72 N 1.00 0.96 -0.10 3.27 2.04 -1.27 0.19 117.51 123.60 1vhj h ILE 72 Ca 0.25 -0.07 -0.09 0.00 1.00 0.00 0.00 64.86 65.95 1vhj h ILE 72 Cb 0.11 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 36.94 1vhj h ILE 72 CO -0.03 0.04 -0.28 1.88 0.00 0.00 0.00 178.15 179.75 1vhj h TYR 73 N 0.20 0.48 -0.57 1.37 0.05 -1.26 -1.29 116.97 115.94 1vhj h TYR 73 Ca 0.10 -0.19 -0.07 0.00 0.05 0.00 0.00 58.73 58.62 1vhj h TYR 73 Cb 0.05 -0.08 -0.02 0.00 1.01 0.00 0.00 36.73 37.69 1vhj h TYR 73 CO -0.11 0.89 0.06 -0.39 -1.05 0.00 0.00 178.16 177.56 1vhj h VAL 74 N -0.07 1.25 -0.37 -2.88 -1.51 -1.01 -0.35 116.25 111.31 1vhj h VAL 74 Ca -0.01 -1.00 -0.01 0.00 -1.23 0.00 0.00 66.70 64.46 1vhj h VAL 74 Cb 0.89 0.75 -0.02 0.00 -2.13 0.00 0.00 31.29 30.78 1vhj h VAL 74 CO 0.06 0.36 0.19 0.74 -1.23 0.00 0.00 177.57 177.69 1vhj h THR 75 N 0.87 1.16 -0.71 7.19 2.02 -0.89 -1.31 112.91 121.24 1vhj h THR 75 Ca 0.17 -0.45 -0.02 0.00 0.77 0.00 0.00 66.41 66.88 1vhj h THR 75 Cb 0.43 0.77 -0.03 0.00 -1.74 0.00 0.00 68.15 67.58 1vhj h THR 75 CO 0.01 0.17 0.35 -0.33 0.37 0.00 0.00 175.52 176.10 1vhj h GLU 76 N 0.47 1.02 -0.93 6.66 5.08 -0.95 0.10 114.58 126.03 1vhj h GLU 76 Ca 0.13 -0.14 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1vhj h GLU 76 Cb 0.10 -0.19 -0.05 0.00 0.50 0.00 0.00 28.75 29.12 1vhj h GLU 76 CO -0.02 0.79 0.61 -0.07 -1.00 0.00 0.00 179.01 179.33 1vhj h LEU 77 N 0.99 1.07 -0.00 1.33 3.38 -0.68 0.85 115.31 122.26 1vhj h LEU 77 Ca 0.25 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 1vhj h LEU 77 Cb 0.10 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1vhj h LEU 77 CO -0.03 0.78 -0.00 0.40 0.09 0.00 0.00 178.44 179.68 1vhj h ILE 78 N 1.26 1.58 0.00 1.22 2.04 -1.00 -2.04 117.51 120.58 1vhj h ILE 78 Ca 0.34 -1.71 -0.09 0.00 1.00 0.00 0.00 64.86 64.40 1vhj h ILE 78 Cb -0.14 2.74 -0.01 0.00 -0.74 0.00 0.00 36.82 38.67 1vhj h ILE 78 CO -0.07 0.44 -0.69 0.07 0.00 0.00 0.00 178.15 177.90 1vhj h LYS 79 N -0.72 0.00 0.00 2.37 2.10 -0.90 -3.22 116.57 116.19 1vhj h LYS 79 Ca -0.00 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.60 1vhj h LYS 79 Cb 0.73 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.05 1vhj h LYS 79 CO 0.00 0.32 -1.76 -0.25 -2.00 0.00 0.00 179.45 175.76 1vhj n ASP 80 N -3.07 1.44 -0.02 7.07 8.00 0.29 -4.66 116.55 125.59 1vhj n ASP 80 Ca -0.01 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.52 1vhj n ASP 80 Cb 0.71 1.57 0.03 0.00 -0.02 0.00 0.00 41.12 43.41 1vhj n ASP 80 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1vhj n TYR 81 N -2.13 0.00 -1.40 1.24 4.02 -0.96 -4.76 117.16 113.17 1vhj n TYR 81 Ca -0.06 -0.60 -0.14 0.00 -0.01 0.00 0.00 57.90 57.09 1vhj n TYR 81 Cb 0.50 -0.07 -0.06 0.00 -0.02 0.00 0.00 39.34 39.69 1vhj n TYR 81 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1vhj n GLY 82 N -0.70 1.42 3.73 2.72 0.00 -1.11 -4.68 105.19 106.56 1vhj n GLY 82 Ca 0.04 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 1vhj n GLY 82 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vhj s VAL 83 N -2.42 2.85 -0.18 1.61 1.01 -0.81 -4.82 120.40 117.64 1vhj s VAL 83 Ca 0.00 0.65 0.09 0.00 0.00 0.00 0.00 61.98 62.73 1vhj s VAL 83 Cb 0.00 -3.42 -0.18 0.00 0.00 0.00 0.00 36.38 32.79 1vhj s VAL 83 CO 0.00 0.08 -0.04 0.29 0.00 0.00 0.00 175.10 175.42 1vhj n LYS 84 N 3.21 0.99 -4.34 2.72 4.76 -0.38 -4.48 118.16 120.64 1vhj n LYS 84 Ca 0.10 0.04 -0.19 0.00 -2.87 0.00 0.00 58.31 55.39 1vhj n LYS 84 Cb 0.40 -1.42 -0.15 0.00 -1.84 0.00 0.00 35.03 32.02 1vhj n LYS 84 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1vhj s LYS 85 N -2.41 0.79 -0.07 1.97 1.02 -0.68 -0.98 119.74 119.39 1vhj s LYS 85 Ca -0.16 -0.28 0.03 0.00 0.02 0.00 0.00 55.97 55.57 1vhj s LYS 85 Cb 0.06 -0.76 0.01 0.00 -0.52 0.00 0.00 37.83 36.62 1vhj s LYS 85 CO 0.60 0.13 -0.14 0.42 -0.92 0.00 0.00 175.35 175.44 1vhj s ILE 86 N 0.05 1.28 -0.22 2.17 -1.09 -0.68 -1.41 121.20 121.30 1vhj s ILE 86 Ca -0.01 -0.57 0.02 0.00 -2.23 0.00 0.00 60.65 57.86 1vhj s ILE 86 Cb -0.06 -1.15 0.05 0.00 -1.58 0.00 0.00 42.46 39.71 1vhj s ILE 86 CO 0.00 0.39 -0.12 -0.63 -1.23 0.00 0.00 174.94 173.35 1vhj s ILE 87 N 0.54 1.90 -0.05 2.92 1.01 -0.40 -1.39 121.20 125.74 1vhj s ILE 87 Ca -0.14 -1.24 -0.22 0.00 0.00 0.00 0.00 60.65 59.06 1vhj s ILE 87 Cb -0.15 -1.95 -0.04 0.00 0.01 0.00 0.00 42.46 40.32 1vhj s ILE 87 CO 0.04 0.15 0.64 -0.60 0.00 0.00 0.00 174.94 175.17 1vhj s ARG 88 N 1.27 4.39 -0.18 2.79 3.52 0.10 0.35 118.95 131.20 1vhj s ARG 88 Ca -0.03 0.79 0.00 0.00 -0.13 0.00 0.00 55.73 56.36 1vhj s ARG 88 Cb -0.17 -3.41 0.04 0.00 -1.56 0.00 0.00 34.95 29.85 1vhj s ARG 88 CO -0.08 0.18 -0.09 0.14 -0.81 0.00 0.00 175.30 174.64 1vhj s VAL 89 N 0.43 1.41 0.00 7.11 -7.23 -0.85 -0.43 120.40 120.83 1vhj s VAL 89 Ca 0.34 -0.78 0.00 0.00 -1.81 0.00 0.00 61.98 59.73 1vhj s VAL 89 Cb -0.18 -1.49 0.00 0.00 0.56 0.00 0.00 36.38 35.27 1vhj s VAL 89 CO 0.17 0.20 0.00 0.61 -0.31 0.00 0.00 175.10 175.77 1vhj n GLY 90 N 4.78 3.97 3.58 2.32 0.00 -0.73 -3.96 105.19 115.14 1vhj n GLY 90 Ca -0.14 -1.13 -0.32 0.00 0.00 0.00 0.00 46.02 44.42 1vhj n GLY 90 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vhj s SER 91 N 1.12 4.58 0.11 1.61 0.01 -1.26 -1.48 113.70 118.39 1vhj s SER 91 Ca 0.00 -0.14 -0.02 0.00 1.31 0.00 0.00 55.95 57.11 1vhj s SER 91 Cb 0.00 -1.07 -0.04 0.00 0.21 0.00 0.00 66.02 65.12 1vhj s SER 91 CO 0.00 0.30 0.05 0.00 0.41 0.00 0.00 173.24 174.00 1vhj s GLY 93 N -3.00 1.99 0.18 0.00 0.00 -0.67 -2.25 107.32 103.57 1vhj s GLY 93 Ca 0.18 -0.86 -0.02 0.00 0.00 0.00 0.00 44.72 44.02 1vhj s GLY 93 CO -0.02 -0.71 0.39 0.00 0.00 0.00 0.00 173.10 172.75 1vhj s ALA 94 N -1.14 3.82 0.00 3.20 0.00 0.55 0.41 121.76 128.59 1vhj s ALA 94 Ca 0.21 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.44 1vhj s ALA 94 Cb -0.12 -2.05 0.00 0.00 0.00 0.00 0.00 23.12 20.95 1vhj s ALA 94 CO 0.12 0.52 0.00 1.33 0.00 0.00 0.00 175.76 177.73 1vhj n VAL 95 N -0.39 0.00 -4.02 0.00 0.24 -1.26 0.27 118.33 113.17 1vhj n VAL 95 Ca -0.04 -0.20 -0.36 0.00 -2.04 0.00 0.00 64.34 61.70 1vhj n VAL 95 Cb 0.53 0.73 -0.07 0.00 -1.47 0.00 0.00 33.84 33.56 1vhj n VAL 95 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1vhj s ASN 96 N -0.97 6.05 0.51 -1.34 3.84 -1.26 -4.57 114.94 117.20 1vhj s ASN 96 Ca 0.00 0.37 0.32 0.00 0.21 0.00 0.00 52.86 53.76 1vhj s ASN 96 Cb 0.00 -1.89 1.28 0.00 -0.55 0.00 0.00 41.25 40.09 1vhj s ASN 96 CO 0.00 0.39 1.94 -0.33 -2.79 0.00 0.00 177.10 176.31 1vhj h GLU 97 N 4.97 0.00 0.00 0.43 5.08 -1.96 -2.46 114.58 120.64 1vhj h GLU 97 Ca -0.54 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.80 1vhj h GLU 97 Cb 1.22 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.46 1vhj h GLU 97 CO 0.57 0.00 -0.14 0.78 -1.00 0.00 0.00 179.01 179.23 1vhj h GLY 98 N 2.17 0.00 -5.75 -3.84 0.00 -2.00 -3.42 103.07 90.23 1vhj h GLY 98 Ca 0.00 0.00 -0.65 0.00 0.00 0.00 0.00 47.33 46.68 1vhj h GLY 98 CO 0.00 0.00 -0.52 -0.42 0.00 0.00 0.00 176.54 175.60 1vhj s ILE 99 N -3.94 5.17 0.21 2.60 -1.09 -0.93 -5.11 121.20 118.11 1vhj s ILE 99 Ca -0.01 0.09 0.08 0.00 -2.23 0.00 0.00 60.65 58.57 1vhj s ILE 99 Cb 0.12 -3.27 -0.04 0.00 -1.58 0.00 0.00 42.46 37.69 1vhj s ILE 99 CO 0.59 0.56 0.01 -0.54 -1.23 0.00 0.00 174.94 174.33 1vhj s LYS 100 N -0.55 2.39 0.58 2.79 -0.14 -1.26 -4.81 119.74 118.74 1vhj s LYS 100 Ca 0.12 -1.21 -0.20 0.00 -1.36 0.00 0.00 55.97 53.31 1vhj s LYS 100 Cb -0.12 -2.30 -0.04 0.00 -1.68 0.00 0.00 37.83 33.70 1vhj s LYS 100 CO 0.02 0.42 1.31 1.33 -0.76 0.00 0.00 175.35 177.67 1vhj n VAL 101 N -0.45 4.17 -0.98 3.17 0.24 -1.26 -1.54 118.33 121.68 1vhj n VAL 101 Ca -0.09 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.71 1vhj n VAL 101 Cb 0.57 -1.57 0.00 0.00 -1.47 0.00 0.00 33.84 31.36 1vhj n VAL 101 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1vhj n ARG 102 N -1.28 0.00 -2.01 7.34 1.74 0.17 -4.96 116.66 117.66 1vhj n ARG 102 Ca 0.12 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.87 1vhj n ARG 102 Cb 0.46 -2.46 0.02 0.00 -1.02 0.00 0.00 32.46 29.46 1vhj n ARG 102 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1vhj s ASP 103 N -3.00 5.49 -0.26 0.55 1.11 -0.59 -4.65 116.67 115.32 1vhj s ASP 103 Ca 0.00 2.02 -0.09 0.00 0.18 0.00 0.00 52.55 54.67 1vhj s ASP 103 Cb 0.00 -2.56 -0.04 0.00 1.07 0.00 0.00 42.92 41.39 1vhj s ASP 103 CO 0.00 -1.37 0.11 -0.69 1.18 0.00 0.00 175.17 174.40 1vhj s VAL 104 N -2.15 4.70 -0.03 -1.27 1.01 -1.26 -0.97 120.40 120.42 1vhj s VAL 104 Ca 0.68 -0.04 0.05 0.00 0.00 0.00 0.00 61.98 62.67 1vhj s VAL 104 Cb -0.21 -3.21 -0.03 0.00 0.00 0.00 0.00 36.38 32.94 1vhj s VAL 104 CO 0.35 0.31 -0.16 0.68 0.00 0.00 0.00 175.10 176.28 1vhj s VAL 105 N 1.59 2.91 -0.15 2.92 -7.23 0.92 -1.17 120.40 120.19 1vhj s VAL 105 Ca 0.06 -0.86 -0.01 0.00 -1.81 0.00 0.00 61.98 59.37 1vhj s VAL 105 Cb -0.15 -2.14 -0.01 0.00 0.56 0.00 0.00 36.38 34.63 1vhj s VAL 105 CO 0.06 0.54 -0.12 -0.63 -0.31 0.00 0.00 175.10 174.64 1vhj s ILE 106 N -0.76 3.09 -0.86 -0.62 1.01 0.45 -0.83 121.20 122.68 1vhj s ILE 106 Ca 0.12 -0.63 -0.24 0.00 0.00 0.00 0.00 60.65 59.90 1vhj s ILE 106 Cb -0.11 -2.32 0.06 0.00 0.01 0.00 0.00 42.46 40.10 1vhj s ILE 106 CO 0.01 0.51 1.27 -0.83 0.00 0.00 0.00 174.94 175.91 1vhj s GLY 107 N 0.59 1.26 0.30 6.18 0.00 -0.30 -1.19 107.32 114.15 1vhj s GLY 107 Ca -0.07 -1.99 0.09 0.00 0.00 0.00 0.00 44.72 42.75 1vhj s GLY 107 CO 0.03 2.48 1.70 1.98 0.00 0.00 0.00 173.10 179.29 1vhj h MET 108 N 9.70 0.10 -4.68 2.90 4.05 -0.55 -3.39 114.93 123.05 1vhj h MET 108 Ca -0.03 -0.05 -0.25 0.00 -0.28 0.00 0.00 59.70 59.08 1vhj h MET 108 Cb 1.03 0.00 -0.15 0.00 -0.80 0.00 0.00 31.60 31.69 1vhj h MET 108 CO 1.30 0.56 -0.66 0.20 0.23 0.00 0.00 176.91 178.54 1vhj s GLY 109 N -4.33 1.12 -0.14 1.39 0.00 -1.12 -0.87 107.32 103.37 1vhj s GLY 109 Ca -0.03 -1.54 -0.04 0.00 0.00 0.00 0.00 44.72 43.11 1vhj s GLY 109 CO 0.76 -1.48 0.08 0.00 0.00 0.00 0.00 173.10 172.46 1vhj s ALA 110 N -3.77 0.39 0.72 3.20 0.00 0.52 -1.10 121.76 121.72 1vhj s ALA 110 Ca 0.23 -0.19 -0.11 0.00 0.00 0.00 0.00 51.96 51.89 1vhj s ALA 110 Cb 0.06 -0.93 0.02 0.00 0.00 0.00 0.00 23.12 22.27 1vhj s ALA 110 CO 0.03 -1.00 1.09 0.00 0.00 0.00 0.00 175.76 175.87 1vhj s THR 112 N -3.28 0.00 -1.21 0.00 -1.32 -1.26 -0.81 115.64 107.76 1vhj s THR 112 Ca 0.58 -0.07 0.13 0.00 -1.21 0.00 0.00 61.69 61.12 1vhj s THR 112 Cb -0.12 -1.09 0.34 0.00 -1.51 0.00 0.00 72.50 70.12 1vhj s THR 112 CO 0.53 0.00 1.27 -0.90 -2.21 0.00 0.00 174.62 173.30 1vhj n ASP 113 N -0.32 3.02 -4.88 8.08 3.85 -1.21 -4.98 116.55 120.11 1vhj n ASP 113 Ca -0.12 -1.95 -0.30 0.00 -0.71 0.00 0.00 54.79 51.72 1vhj n ASP 113 Cb 0.63 -0.25 -0.00 0.00 -1.35 0.00 0.00 41.12 40.15 1vhj n ASP 113 CO 0.00 0.00 0.00 -0.55 -1.01 0.00 0.00 177.20 175.64 1vhj s SER 114 N -1.02 6.29 0.00 -1.12 0.15 -1.26 -4.91 113.70 111.84 1vhj s SER 114 Ca 0.27 1.22 0.21 0.00 0.70 0.00 0.00 55.95 58.34 1vhj s SER 114 Cb 0.14 -2.38 0.38 0.00 -1.71 0.00 0.00 66.02 62.46 1vhj s SER 114 CO 0.19 -0.70 1.33 1.17 1.20 0.00 0.00 173.24 176.43 1vhj n LYS 115 N -2.36 2.36 -0.29 5.44 4.81 -1.26 -4.62 118.16 122.23 1vhj n LYS 115 Ca 0.04 -2.16 -0.04 0.00 -0.87 0.00 0.00 58.31 55.28 1vhj n LYS 115 Cb 0.54 -1.46 0.11 0.00 0.02 0.00 0.00 35.03 34.25 1vhj n LYS 115 CO 0.00 0.00 0.00 -0.39 1.17 0.00 0.00 177.40 178.18 1vhj h VAL 116 N 3.99 1.25 0.00 3.15 -1.51 -2.00 -0.92 116.25 120.21 1vhj h VAL 116 Ca 0.00 -0.68 -0.13 0.00 -1.23 0.00 0.00 66.70 64.66 1vhj h VAL 116 Cb 0.91 0.18 -0.02 0.00 -2.13 0.00 0.00 31.29 30.23 1vhj h VAL 116 CO 0.00 0.30 -0.62 0.78 -1.23 0.00 0.00 177.57 176.79 1vhj h ASN 117 N 1.17 0.00 0.03 4.19 2.35 -1.93 -2.79 115.58 118.61 1vhj h ASN 117 Ca 0.29 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.93 1vhj h ASN 117 Cb 0.09 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 1vhj h ASN 117 CO -0.04 0.62 -0.31 0.03 -1.65 0.00 0.00 177.43 176.08 1vhj h ARG 118 N 0.00 0.41 -0.26 0.81 2.47 -1.71 0.73 114.38 116.82 1vhj h ARG 118 Ca -0.01 -0.17 -0.10 0.00 -1.26 0.00 0.00 59.98 58.44 1vhj h ARG 118 Cb 1.42 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 29.71 1vhj h ARG 118 CO 0.08 0.68 -0.27 0.82 0.56 0.00 0.00 179.97 181.84 1vhj h ILE 119 N 0.36 1.27 0.00 2.04 2.04 -1.06 -0.50 117.51 121.66 1vhj h ILE 119 Ca 0.05 -1.33 -0.17 0.00 1.00 0.00 0.00 64.86 64.41 1vhj h ILE 119 Cb 0.73 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 38.16 1vhj h ILE 119 CO 0.06 0.42 -0.81 0.03 0.00 0.00 0.00 178.15 177.85 1vhj h ARG 120 N 0.46 0.01 -0.76 2.37 3.08 -1.18 -3.38 114.38 114.97 1vhj h ARG 120 Ca 0.06 -0.01 -0.54 0.00 0.07 0.00 0.00 59.98 59.56 1vhj h ARG 120 Cb 0.71 0.00 -0.38 0.00 0.08 0.00 0.00 29.97 30.39 1vhj h ARG 120 CO 0.05 0.81 -0.46 0.34 -1.07 0.00 0.00 179.97 179.65 1vhj n PHE 121 N -3.58 2.68 -3.62 3.04 7.35 0.21 -4.95 117.46 118.59 1vhj n PHE 121 Ca -0.01 -2.33 -0.27 0.00 -0.76 0.00 0.00 57.45 54.09 1vhj n PHE 121 Cb 0.78 -0.55 0.01 0.00 0.35 0.00 0.00 39.48 40.06 1vhj n PHE 121 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1vhj n LYS 122 N -0.78 -4.28 -1.16 -4.13 5.02 -1.16 -1.56 118.16 110.11 1vhj n LYS 122 Ca 0.46 0.55 -0.06 0.00 -2.02 0.00 0.00 58.31 57.25 1vhj n LYS 122 Cb 0.91 -5.35 -0.02 0.00 -0.02 0.00 0.00 35.03 30.55 1vhj n LYS 122 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1vhj n ASP 123 N -2.55 -4.88 -4.70 4.39 2.03 -0.23 -5.01 116.55 105.61 1vhj n ASP 123 Ca 0.01 0.14 -0.23 0.00 0.52 0.00 0.00 54.79 55.23 1vhj n ASP 123 Cb 0.54 -2.88 0.11 0.00 -0.72 0.00 0.00 41.12 38.16 1vhj n ASP 123 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 1vhj s HIS 124 N -1.81 1.40 -0.52 -0.67 3.76 -0.60 -5.00 115.29 111.85 1vhj s HIS 124 Ca 0.00 -0.39 -0.25 0.00 -0.15 0.00 0.00 55.06 54.27 1vhj s HIS 124 Cb 0.00 -2.88 0.04 0.00 1.11 0.00 0.00 32.58 30.84 1vhj s HIS 124 CO 0.00 -1.71 0.94 -0.51 -0.85 0.00 0.00 174.74 172.61 1vhj s ASP 125 N -4.76 6.40 -0.22 1.40 1.11 -1.26 -4.62 116.67 114.72 1vhj s ASP 125 Ca 0.67 -0.16 -0.19 0.00 0.18 0.00 0.00 52.55 53.04 1vhj s ASP 125 Cb -0.05 -2.45 -0.03 0.00 1.07 0.00 0.00 42.92 41.47 1vhj s ASP 125 CO 0.44 -1.17 0.55 0.12 1.18 0.00 0.00 175.17 176.29 1vhj s PHE 126 N 3.91 3.34 -0.72 4.23 2.19 -1.26 -5.01 117.98 124.66 1vhj s PHE 126 Ca 0.33 0.78 -0.27 0.00 0.33 0.00 0.00 56.93 58.10 1vhj s PHE 126 Cb -0.11 -2.72 0.03 0.00 -1.31 0.00 0.00 43.02 38.90 1vhj s PHE 126 CO 0.22 -0.18 1.25 0.00 1.83 0.00 0.00 175.22 178.34 1vhj s ALA 127 N 1.93 2.80 -0.49 11.12 0.00 -1.26 -4.95 121.76 130.91 1vhj s ALA 127 Ca 0.24 -1.33 -0.28 0.00 0.00 0.00 0.00 51.96 50.60 1vhj s ALA 127 Cb -0.16 -4.21 -0.01 0.00 0.00 0.00 0.00 23.12 18.74 1vhj s ALA 127 CO 0.09 -3.19 1.71 0.00 0.00 0.00 0.00 175.76 174.38 1vhj s ALA 128 N 5.56 2.61 0.17 0.00 0.00 -1.26 -4.98 121.76 123.86 1vhj s ALA 128 Ca 0.35 -0.30 0.10 0.00 0.00 0.00 0.00 51.96 52.11 1vhj s ALA 128 Cb -0.08 -4.13 -0.04 0.00 0.00 0.00 0.00 23.12 18.86 1vhj s ALA 128 CO 0.16 -3.15 -0.22 0.96 0.00 0.00 0.00 175.76 173.51 1vhj s ILE 129 N 7.42 2.14 0.79 0.00 -4.36 -1.26 -0.36 121.20 125.57 1vhj s ILE 129 Ca 0.68 -1.94 -0.12 0.00 -0.26 0.00 0.00 60.65 59.01 1vhj s ILE 129 Cb -0.16 -1.99 0.06 0.00 1.25 0.00 0.00 42.46 41.63 1vhj s ILE 129 CO 0.27 -0.16 1.13 0.00 0.24 0.00 0.00 174.94 176.43 1vhj s ALA 130 N -1.70 2.55 0.06 2.27 0.00 -0.05 -4.83 121.76 120.06 1vhj s ALA 130 Ca 0.18 -0.46 -0.31 0.00 0.00 0.00 0.00 51.96 51.37 1vhj s ALA 130 Cb -0.08 -3.01 -0.06 0.00 0.00 0.00 0.00 23.12 19.97 1vhj s ALA 130 CO 0.08 -1.59 1.26 0.34 0.00 0.00 0.00 175.76 175.86 1vhj s ASP 131 N -4.33 6.99 0.13 0.00 -1.08 -0.57 -4.95 116.67 112.87 1vhj s ASP 131 Ca 0.61 2.08 -0.18 0.00 -0.52 0.00 0.00 52.55 54.54 1vhj s ASP 131 Cb -0.12 -2.58 -0.03 0.00 -1.46 0.00 0.00 42.92 38.73 1vhj s ASP 131 CO 0.51 -0.55 1.77 0.22 0.52 0.00 0.00 175.17 177.64 1vhj h TYR 132 N 6.95 0.41 -0.61 -5.34 5.03 -1.95 -2.26 116.97 119.19 1vhj h TYR 132 Ca -0.41 0.00 0.01 0.00 2.58 0.00 0.00 58.73 60.91 1vhj h TYR 132 Cb 1.21 -0.13 -0.03 0.00 1.55 0.00 0.00 36.73 39.32 1vhj h TYR 132 CO 0.68 0.29 0.41 0.87 -1.32 0.00 0.00 178.16 179.09 1vhj h LYS 133 N 0.40 0.80 -0.56 1.82 1.57 -1.99 -1.55 116.57 117.07 1vhj h LYS 133 Ca 0.11 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.74 1vhj h LYS 133 Cb 0.00 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.11 1vhj h LYS 133 CO -0.02 0.53 -0.08 0.52 -0.57 0.00 0.00 179.45 179.83 1vhj h MET 134 N 0.82 1.03 -0.57 3.15 2.86 -1.85 0.34 114.93 120.71 1vhj h MET 134 Ca 0.23 -0.36 0.02 0.00 -2.06 0.00 0.00 59.70 57.52 1vhj h MET 134 Cb -0.08 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.47 1vhj h MET 134 CO -0.05 1.05 0.36 0.28 1.06 0.00 0.00 176.91 179.61 1vhj h VAL 135 N 0.93 1.10 -0.22 -2.22 2.07 -0.96 -0.76 116.25 116.19 1vhj h VAL 135 Ca 0.15 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 1vhj h VAL 135 Cb 0.64 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1vhj h VAL 135 CO 0.04 0.13 0.02 0.50 0.02 0.00 0.00 177.57 178.29 1vhj h LYS 136 N 0.72 0.37 -0.30 1.57 3.64 -0.98 0.12 116.57 121.71 1vhj h LYS 136 Ca 0.22 -0.10 0.02 0.00 -1.27 0.00 0.00 60.65 59.52 1vhj h LYS 136 Cb -0.02 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 1vhj h LYS 136 CO -0.08 0.53 0.16 0.00 -2.27 0.00 0.00 179.45 177.79 1vhj h ALA 137 N 0.82 0.37 -0.83 5.00 0.00 -0.72 0.13 119.26 124.04 1vhj h ALA 137 Ca 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1vhj h ALA 137 Cb 0.35 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 1vhj h ALA 137 CO 0.01 -0.22 0.40 0.00 0.00 0.00 0.00 179.25 179.43 1vhj h ALA 138 N 1.15 1.13 -0.47 0.00 0.00 -1.05 0.88 119.26 120.90 1vhj h ALA 138 Ca 0.12 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 1vhj h ALA 138 Cb 0.03 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1vhj h ALA 138 CO -0.07 0.66 -0.25 1.49 0.00 0.00 0.00 179.25 181.07 1vhj h GLU 139 N 1.18 1.00 -0.14 0.00 4.22 -0.24 -2.22 114.58 118.39 1vhj h GLU 139 Ca 0.29 -0.44 -0.03 0.00 0.08 0.00 0.00 59.36 59.25 1vhj h GLU 139 Cb 0.12 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 1vhj h GLU 139 CO -0.04 1.12 -0.03 0.93 -2.18 0.00 0.00 179.01 178.81 1vhj h GLU 140 N 0.85 0.27 -0.91 1.92 4.39 -0.35 -2.29 114.58 118.46 1vhj h GLU 140 Ca 0.10 -0.10 0.13 0.00 0.34 0.00 0.00 59.36 59.83 1vhj h GLU 140 Cb 0.83 -0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 29.38 1vhj h GLU 140 CO 0.07 0.56 0.53 0.00 -1.16 0.00 0.00 179.01 179.01 1vhj h ALA 141 N 0.70 1.37 -0.34 3.43 0.00 -0.85 0.10 119.26 123.67 1vhj h ALA 141 Ca 0.03 0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 1vhj h ALA 141 Cb 0.46 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1vhj h ALA 141 CO 0.01 0.08 -0.37 0.00 0.00 0.00 0.00 179.25 178.97 1vhj h ALA 142 N 1.53 0.71 -0.60 0.00 0.00 -1.31 -2.65 119.26 116.94 1vhj h ALA 142 Ca 0.47 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1vhj h ALA 142 Cb 0.54 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1vhj h ALA 142 CO -0.30 0.66 0.12 -0.22 0.00 0.00 0.00 179.25 179.52 1vhj h LYS 143 N 0.65 0.95 0.00 0.00 1.63 -0.56 0.83 116.57 120.07 1vhj h LYS 143 Ca 0.06 -0.22 0.00 0.00 -0.85 0.00 0.00 60.65 59.64 1vhj h LYS 143 Cb 0.93 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.43 1vhj h LYS 143 CO 0.08 0.86 0.00 0.00 -3.45 0.00 0.00 179.45 176.94 1vhj h ALA 144 N 1.23 1.00 -0.37 5.00 0.00 -0.72 -1.91 119.26 123.48 1vhj h ALA 144 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1vhj h ALA 144 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1vhj h ALA 144 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.79 1vhj n ARG 145 N -2.39 2.63 -1.07 0.00 1.74 -0.80 -4.97 116.66 111.81 1vhj n ARG 145 Ca 0.02 -2.07 -0.02 0.00 -0.77 0.00 0.00 57.85 55.01 1vhj n ARG 145 Cb 0.26 -1.32 -0.01 0.00 -1.02 0.00 0.00 32.46 30.38 1vhj n ARG 145 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1vhj n GLY 146 N 0.72 0.52 3.74 -0.13 0.00 -0.70 -5.01 105.19 104.33 1vhj n GLY 146 Ca 0.13 -0.23 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 1vhj n GLY 146 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vhj s ILE 147 N -1.85 5.27 -0.28 -0.61 1.01 0.28 -4.96 121.20 120.07 1vhj s ILE 147 Ca 0.00 0.62 -0.16 0.00 0.00 0.00 0.00 60.65 61.11 1vhj s ILE 147 Cb 0.00 -3.66 -0.03 0.00 0.01 0.00 0.00 42.46 38.78 1vhj s ILE 147 CO 0.00 0.40 0.44 -0.62 0.00 0.00 0.00 174.94 175.16 1vhj s ASP 148 N 0.32 6.31 -0.08 3.58 2.15 -1.26 -3.36 116.67 124.33 1vhj s ASP 148 Ca 0.18 0.29 -0.03 0.00 0.43 0.00 0.00 52.55 53.42 1vhj s ASP 148 Cb -0.14 -2.24 -0.04 0.00 -0.30 0.00 0.00 42.92 40.21 1vhj s ASP 148 CO 0.05 -0.27 0.06 0.68 -0.17 0.00 0.00 175.17 175.53 1vhj s VAL 149 N 2.19 4.76 -0.36 1.11 -7.23 -1.26 -4.45 120.40 115.16 1vhj s VAL 149 Ca 0.17 -0.14 -0.20 0.00 -1.81 0.00 0.00 61.98 60.00 1vhj s VAL 149 Cb -0.16 -3.06 0.00 0.00 0.56 0.00 0.00 36.38 33.72 1vhj s VAL 149 CO 0.10 0.56 0.59 -0.54 -0.31 0.00 0.00 175.10 175.50 1vhj s LYS 150 N -1.10 3.64 -0.33 4.82 -0.14 -0.31 -4.94 119.74 121.38 1vhj s LYS 150 Ca 0.16 -0.04 -0.13 0.00 -1.36 0.00 0.00 55.97 54.61 1vhj s LYS 150 Cb -0.12 -3.81 -0.02 0.00 -1.68 0.00 0.00 37.83 32.20 1vhj s LYS 150 CO 0.05 -0.71 0.24 0.08 -0.76 0.00 0.00 175.35 174.24 1vhj s VAL 151 N 2.60 5.29 0.00 3.17 1.01 -1.26 -0.41 120.40 130.80 1vhj s VAL 151 Ca 0.22 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.08 1vhj s VAL 151 Cb -0.15 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.55 1vhj s VAL 151 CO 0.14 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.90 1vhj n GLY 152 N 5.09 2.24 3.65 4.51 0.00 -0.33 -4.90 105.19 115.45 1vhj n GLY 152 Ca -0.13 -0.14 -0.38 0.00 0.00 0.00 0.00 46.02 45.37 1vhj n GLY 152 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1vhj s ASN 153 N 2.00 6.33 0.53 1.61 0.01 -1.26 0.21 114.94 124.37 1vhj s ASN 153 Ca 0.00 0.38 -0.02 0.00 -0.71 0.00 0.00 52.86 52.51 1vhj s ASN 153 Cb 0.00 -2.20 0.01 0.00 0.41 0.00 0.00 41.25 39.47 1vhj s ASN 153 CO 0.00 -0.09 0.79 -0.76 -1.51 0.00 0.00 177.10 175.53 1vhj s LEU 154 N 1.52 3.38 -0.16 0.60 1.43 -0.26 0.69 118.68 125.88 1vhj s LEU 154 Ca 0.16 0.34 -0.00 0.00 -1.03 0.00 0.00 54.13 53.60 1vhj s LEU 154 Cb -0.15 -3.19 0.04 0.00 0.03 0.00 0.00 46.19 42.92 1vhj s LEU 154 CO 0.08 -0.98 -0.06 0.12 0.23 0.00 0.00 176.35 175.74 1vhj s PHE 155 N -2.78 1.79 -0.53 0.29 2.19 -0.38 -0.26 117.98 118.30 1vhj s PHE 155 Ca 0.53 -1.13 -0.20 0.00 0.33 0.00 0.00 56.93 56.46 1vhj s PHE 155 Cb -0.10 -1.36 0.06 0.00 -1.31 0.00 0.00 43.02 40.31 1vhj s PHE 155 CO 0.40 -0.63 0.70 -1.12 1.83 0.00 0.00 175.22 176.41 1vhj s SER 156 N 1.60 6.23 0.20 6.13 0.01 0.01 -0.33 113.70 127.56 1vhj s SER 156 Ca 0.01 -0.90 -0.21 0.00 1.31 0.00 0.00 55.95 56.16 1vhj s SER 156 Cb -0.15 -2.32 -0.08 0.00 0.21 0.00 0.00 66.02 63.68 1vhj s SER 156 CO -0.08 -1.00 0.73 0.00 0.41 0.00 0.00 173.24 173.30 1vhj s ALA 157 N 2.90 3.43 0.03 1.44 0.00 0.42 -3.28 121.76 126.69 1vhj s ALA 157 Ca 0.17 0.20 0.10 0.00 0.00 0.00 0.00 51.96 52.43 1vhj s ALA 157 Cb -0.19 -2.84 -0.22 0.00 0.00 0.00 0.00 23.12 19.87 1vhj s ALA 157 CO 0.12 0.32 0.93 0.93 0.00 0.00 0.00 175.76 178.06 1vhj h GLU 158 N 3.66 0.00 -4.85 0.00 4.39 -1.90 -3.42 114.58 112.46 1vhj h GLU 158 Ca -0.48 0.00 -0.67 0.00 0.34 0.00 0.00 59.36 58.55 1vhj h GLU 158 Cb 1.20 0.00 -0.36 0.00 -0.10 0.00 0.00 28.75 29.49 1vhj h GLU 158 CO 0.65 0.71 -0.78 -0.51 -1.16 0.00 0.00 179.01 177.92 1vhj s LEU 159 N -6.35 3.56 0.16 1.33 1.43 -1.26 -4.97 118.68 112.57 1vhj s LEU 159 Ca -0.02 -1.37 -0.16 0.00 -1.03 0.00 0.00 54.13 51.55 1vhj s LEU 159 Cb 0.09 -1.59 0.07 0.00 0.03 0.00 0.00 46.19 44.79 1vhj s LEU 159 CO 0.82 -0.21 1.74 0.15 0.23 0.00 0.00 176.35 179.09 1vhj h PHE 160 N 7.82 0.20 -1.98 0.29 3.04 -1.99 -3.01 116.94 121.31 1vhj h PHE 160 Ca -0.19 0.02 -0.76 0.00 3.98 0.00 0.00 57.97 61.02 1vhj h PHE 160 Cb 1.04 -0.03 -0.18 0.00 2.56 0.00 0.00 35.95 39.34 1vhj h PHE 160 CO 0.63 0.07 1.55 0.66 -2.02 0.00 0.00 178.31 179.20 1vhj n TYR 161 N -5.04 3.74 -1.76 0.41 4.02 -1.26 -5.01 117.16 112.26 1vhj n TYR 161 Ca 0.01 -3.05 -0.41 0.00 -0.01 0.00 0.00 57.90 54.44 1vhj n TYR 161 Cb 0.14 -1.94 -0.00 0.00 -0.02 0.00 0.00 39.34 37.52 1vhj n TYR 161 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 176.86 173.48 1vhj n THR 162 N 3.50 1.76 1.30 -0.72 5.66 -1.14 -4.90 114.28 119.73 1vhj n THR 162 Ca 0.36 -0.44 0.14 0.00 -3.05 0.00 0.00 64.05 61.06 1vhj n THR 162 Cb 0.38 -1.92 0.66 0.00 -1.55 0.00 0.00 70.33 67.90 1vhj n THR 162 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 1vhj n PRO 163 N 0.87 0.36 -3.50 1.09 -0.04 -1.26 -4.36 135.00 128.15 1vhj n PRO 163 Ca 0.03 -0.06 -0.27 0.00 -0.04 0.00 0.00 63.50 63.17 1vhj n PRO 163 Cb 0.38 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.24 1vhj n PRO 163 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1vhj n ASP 164 N -1.27 0.40 0.30 3.54 4.64 -1.26 -4.98 116.55 117.91 1vhj n ASP 164 Ca 0.12 -2.59 0.17 0.00 -1.38 0.00 0.00 54.79 51.11 1vhj n ASP 164 Cb 0.28 -0.60 0.93 0.00 -1.04 0.00 0.00 41.12 40.69 1vhj n ASP 164 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 1vhj h PRO 165 N 5.51 0.00 0.00 -0.67 0.13 -2.01 -2.59 132.00 132.37 1vhj h PRO 165 Ca 0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.37 1vhj h PRO 165 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1vhj h PRO 165 CO 0.46 0.04 0.00 0.66 -0.23 0.00 0.00 178.00 178.92 1vhj h SER 166 N 0.00 0.00 0.19 1.44 4.64 -1.98 0.70 113.55 118.55 1vhj h SER 166 Ca -0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1vhj h SER 166 Cb 0.13 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1vhj h SER 166 CO 0.00 0.00 -0.13 -0.03 -0.87 0.00 0.00 176.83 175.80 1vhj h MET 167 N 0.00 0.00 -0.16 4.77 -1.53 -1.91 -2.02 114.93 114.08 1vhj h MET 167 Ca 0.00 0.00 -0.04 0.00 -3.44 0.00 0.00 59.70 56.22 1vhj h MET 167 Cb 0.06 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.10 1vhj h MET 167 CO 0.00 0.13 -0.09 0.74 0.14 0.00 0.00 176.91 177.83 1vhj h PHE 168 N 0.00 0.25 0.00 1.39 0.05 -1.08 -1.30 116.94 116.25 1vhj h PHE 168 Ca -0.00 -0.02 -0.10 0.00 3.82 0.00 0.00 57.97 61.66 1vhj h PHE 168 Cb 0.26 -0.07 -0.01 0.00 2.00 0.00 0.00 35.95 38.12 1vhj h PHE 168 CO 0.00 0.34 -0.49 -0.44 -0.18 0.00 0.00 178.31 177.54 1vhj h ASP 169 N 0.24 0.00 -0.22 2.17 5.19 -1.53 -2.22 116.42 120.04 1vhj h ASP 169 Ca 0.05 0.00 -0.20 0.00 -0.62 0.00 0.00 57.03 56.26 1vhj h ASP 169 Cb 0.31 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.82 1vhj h ASP 169 CO 0.02 0.49 -0.63 0.58 -3.12 0.00 0.00 179.24 176.58 1vhj h VAL 170 N 0.00 1.28 -0.76 -1.35 2.07 -1.30 -2.51 116.25 113.68 1vhj h VAL 170 Ca -0.00 -1.82 -0.04 0.00 0.82 0.00 0.00 66.70 65.66 1vhj h VAL 170 Cb 0.94 1.80 -0.03 0.00 -1.52 0.00 0.00 31.29 32.48 1vhj h VAL 170 CO 0.06 0.59 0.34 0.24 0.02 0.00 0.00 177.57 178.82 1vhj h MET 171 N 0.58 1.12 -0.25 1.57 2.86 -1.10 -1.77 114.93 117.94 1vhj h MET 171 Ca -0.02 -0.18 -0.02 0.00 -2.06 0.00 0.00 59.70 57.42 1vhj h MET 171 Cb 1.25 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.71 1vhj h MET 171 CO 0.14 0.89 0.08 0.22 1.06 0.00 0.00 176.91 179.29 1vhj h ASP 172 N 1.08 0.37 -0.46 1.22 -0.00 -1.38 0.87 116.42 118.12 1vhj h ASP 172 Ca 0.26 -0.21 -0.00 0.00 -0.00 0.00 0.00 57.03 57.08 1vhj h ASP 172 Cb 0.16 -0.10 -0.02 0.00 -0.00 0.00 0.00 39.33 39.37 1vhj h ASP 172 CO -0.03 0.48 0.29 0.50 -0.00 0.00 0.00 179.24 180.48 1vhj h LYS 173 N 0.24 0.62 -0.35 0.28 3.64 -1.02 -1.90 116.57 118.08 1vhj h LYS 173 Ca 0.08 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1vhj h LYS 173 Cb 0.25 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1vhj h LYS 173 CO -0.00 0.43 0.00 0.66 -2.27 0.00 0.00 179.45 178.27 1vhj n TYR 174 N -4.44 0.47 -1.70 1.91 4.01 -0.70 -4.92 117.16 111.78 1vhj n TYR 174 Ca 0.04 -0.23 -0.03 0.00 -0.16 0.00 0.00 57.90 57.52 1vhj n TYR 174 Cb 0.07 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.10 1vhj n TYR 174 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1vhj n GLY 175 N 1.14 0.38 3.75 2.72 0.00 -0.71 -5.01 105.19 107.45 1vhj n GLY 175 Ca 0.14 -0.84 -0.41 0.00 0.00 0.00 0.00 46.02 44.90 1vhj n GLY 175 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vhj s ILE 176 N -2.12 2.25 -0.23 -0.61 1.09 0.26 -4.53 121.20 117.30 1vhj s ILE 176 Ca 0.00 0.21 0.22 0.00 -1.10 0.00 0.00 60.65 59.98 1vhj s ILE 176 Cb 0.00 -3.13 -0.00 0.00 -1.06 0.00 0.00 42.46 38.26 1vhj s ILE 176 CO 0.00 0.03 1.04 -0.37 -0.10 0.00 0.00 174.94 175.55 1vhj h VAL 177 N 3.43 0.07 -1.42 2.92 -1.51 -0.08 -3.40 116.25 116.26 1vhj h VAL 177 Ca -0.47 -1.13 0.12 0.00 -1.23 0.00 0.00 66.70 63.99 1vhj h VAL 177 Cb 1.22 1.59 -0.25 0.00 -2.13 0.00 0.00 31.29 31.73 1vhj h VAL 177 CO 0.79 0.04 0.66 -0.83 -1.23 0.00 0.00 177.57 176.99 1vhj s GLY 178 N -4.41 -0.15 -0.21 5.19 0.00 -1.25 -4.65 107.32 101.84 1vhj s GLY 178 Ca -0.00 2.32 -0.05 0.00 0.00 0.00 0.00 44.72 46.98 1vhj s GLY 178 CO 0.79 1.12 -0.01 0.54 0.00 0.00 0.00 173.10 175.54 1vhj s VAL 179 N -0.98 3.82 0.00 1.40 0.11 0.17 -1.25 120.40 123.67 1vhj s VAL 179 Ca 0.01 -0.35 0.00 0.00 -2.93 0.00 0.00 61.98 58.71 1vhj s VAL 179 Cb -0.01 -2.73 0.00 0.00 -1.53 0.00 0.00 36.38 32.11 1vhj s VAL 179 CO -0.02 0.42 0.00 -1.84 -3.33 0.00 0.00 175.10 170.33 1vhj n GLU 180 N 4.42 0.53 0.00 1.54 -0.00 0.55 -1.66 120.64 126.03 1vhj n GLU 180 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.99 1vhj n GLU 180 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.96 1vhj n GLU 180 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1vhj n MET 181 N 0.00 -0.38 0.00 3.44 2.81 -1.26 -0.44 117.12 121.29 1vhj n MET 181 Ca 0.00 -0.21 0.00 0.00 -1.81 0.00 0.00 57.70 55.68 1vhj n MET 181 Cb 0.00 -0.70 0.00 0.00 -0.71 0.00 0.00 33.22 31.81 1vhj n MET 181 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 1vhj n GLU 182 N -0.00 3.20 -0.06 0.03 0.00 -1.26 -2.67 120.64 119.88 1vhj n GLU 182 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 57.16 57.07 1vhj n GLU 182 Cb 0.15 -0.57 -0.03 0.00 0.00 0.00 0.00 31.44 30.99 1vhj n GLU 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1vhj h ALA 183 N 0.00 -0.25 -0.69 -1.84 0.00 -1.95 -0.69 119.26 113.83 1vhj h ALA 183 Ca 0.00 0.07 0.13 0.00 0.00 0.00 0.00 54.91 55.11 1vhj h ALA 183 Cb 0.00 0.63 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 1vhj h ALA 183 CO 0.00 -0.74 0.46 0.00 0.00 0.00 0.00 179.25 178.97 1vhj h ALA 184 N 0.63 2.10 -0.06 0.00 0.00 -1.83 0.23 119.26 120.33 1vhj h ALA 184 Ca 0.13 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.80 1vhj h ALA 184 Cb 0.53 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.27 1vhj h ALA 184 CO -0.44 -0.27 -0.92 0.78 0.00 0.00 0.00 179.25 178.40 1vhj h GLY 185 N 0.39 0.75 0.93 0.00 0.00 -1.53 -1.94 103.07 101.68 1vhj h GLY 185 Ca 0.33 -1.21 -0.04 0.00 0.00 0.00 0.00 47.33 46.41 1vhj h GLY 185 CO -0.10 1.07 0.07 -2.22 0.00 0.00 0.00 176.54 175.37 1vhj h ILE 186 N 0.42 1.24 -0.48 2.60 2.04 0.24 -1.34 117.51 122.22 1vhj h ILE 186 Ca -0.09 -0.83 -0.05 0.00 1.00 0.00 0.00 64.86 64.89 1vhj h ILE 186 Cb 1.56 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 38.65 1vhj h ILE 186 CO 0.18 0.28 0.10 1.88 0.00 0.00 0.00 178.15 180.59 1vhj h TYR 187 N 0.48 0.75 -0.31 1.37 0.99 -0.61 -0.15 116.97 119.49 1vhj h TYR 187 Ca 0.12 -0.07 -0.06 0.00 2.00 0.00 0.00 58.73 60.72 1vhj h TYR 187 Cb 0.35 -0.22 -0.01 0.00 1.00 0.00 0.00 36.73 37.85 1vhj h TYR 187 CO 0.02 0.65 -0.06 0.78 -0.00 0.00 0.00 178.16 179.56 1vhj h GLY 188 N 0.92 0.64 0.97 3.88 0.00 -1.13 -1.65 103.07 106.69 1vhj h GLY 188 Ca 0.16 -0.51 -0.00 0.00 0.00 0.00 0.00 47.33 46.97 1vhj h GLY 188 CO 0.00 0.47 0.08 -2.08 0.00 0.00 0.00 176.54 175.01 1vhj h VAL 189 N 0.36 1.06 -0.78 4.60 2.07 -0.84 -0.36 116.25 122.36 1vhj h VAL 189 Ca 0.08 -0.14 0.08 0.00 0.82 0.00 0.00 66.70 67.54 1vhj h VAL 189 Cb 0.54 0.93 -0.07 0.00 -1.52 0.00 0.00 31.29 31.17 1vhj h VAL 189 CO 0.03 0.05 0.45 0.00 0.02 0.00 0.00 177.57 178.12 1vhj h ALA 190 N 1.01 1.09 -0.38 1.67 0.00 -0.89 -0.78 119.26 120.97 1vhj h ALA 190 Ca 0.04 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 1vhj h ALA 190 Cb 0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1vhj h ALA 190 CO -0.01 0.10 -0.18 0.00 0.00 0.00 0.00 179.25 179.16 1vhj h ALA 191 N 1.42 0.54 -0.73 0.00 0.00 -1.10 0.44 119.26 119.82 1vhj h ALA 191 Ca 0.36 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1vhj h ALA 191 Cb 0.28 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1vhj h ALA 191 CO -0.22 0.48 0.37 1.49 0.00 0.00 0.00 179.25 181.37 1vhj h GLU 192 N 0.60 1.03 -0.13 0.00 4.81 -0.29 -3.12 114.58 117.49 1vhj h GLU 192 Ca 0.09 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1vhj h GLU 192 Cb 0.73 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.92 1vhj h GLU 192 CO 0.06 0.79 0.00 0.66 -0.73 0.00 0.00 179.01 179.78 1vhj n TYR 193 N -4.34 0.15 -1.84 0.92 4.01 -0.37 -4.99 117.16 110.70 1vhj n TYR 193 Ca 0.07 -0.09 -0.04 0.00 -0.16 0.00 0.00 57.90 57.68 1vhj n TYR 193 Cb 0.12 -0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.15 1vhj n TYR 193 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1vhj n GLY 194 N 1.18 0.32 2.93 2.72 0.00 -0.25 -5.05 105.19 107.04 1vhj n GLY 194 Ca 0.13 -0.75 -0.16 0.00 0.00 0.00 0.00 46.02 45.24 1vhj n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vhj n ALA 195 N -0.64 0.84 -2.58 4.61 0.00 -0.02 -5.02 120.51 117.70 1vhj n ALA 195 Ca -0.05 -1.62 -0.32 0.00 0.00 0.00 0.00 53.44 51.46 1vhj n ALA 195 Cb 0.44 0.52 -0.15 0.00 0.00 0.00 0.00 19.45 20.26 1vhj n ALA 195 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1vhj s LYS 196 N -3.90 2.54 0.07 0.00 1.02 -0.15 -4.51 119.74 114.80 1vhj s LYS 196 Ca 0.39 -0.80 0.01 0.00 0.02 0.00 0.00 55.97 55.58 1vhj s LYS 196 Cb -0.03 -2.28 -0.04 0.00 -0.52 0.00 0.00 37.83 34.97 1vhj s LYS 196 CO 0.25 0.49 -0.05 0.00 -0.92 0.00 0.00 175.35 175.12 1vhj s ALA 197 N -0.42 0.69 -0.15 5.17 0.00 -1.26 -1.68 121.76 124.11 1vhj s ALA 197 Ca 0.04 -1.17 -0.12 0.00 0.00 0.00 0.00 51.96 50.72 1vhj s ALA 197 Cb -0.12 0.19 0.04 0.00 0.00 0.00 0.00 23.12 23.23 1vhj s ALA 197 CO 0.02 -0.25 0.38 -1.17 0.00 0.00 0.00 175.76 174.73 1vhj s LEU 198 N -2.70 0.39 -0.19 0.00 2.96 -0.49 -1.51 118.68 117.14 1vhj s LEU 198 Ca 0.05 0.78 -0.01 0.00 -0.22 0.00 0.00 54.13 54.74 1vhj s LEU 198 Cb 0.03 1.28 0.01 0.00 0.50 0.00 0.00 46.19 48.01 1vhj s LEU 198 CO -0.06 -0.15 -0.14 0.00 -1.32 0.00 0.00 176.35 174.69 1vhj s ALA 199 N 0.54 2.52 -0.07 5.97 0.00 -1.26 0.02 121.76 129.49 1vhj s ALA 199 Ca -0.03 -1.17 0.02 0.00 0.00 0.00 0.00 51.96 50.78 1vhj s ALA 199 Cb -0.04 -1.37 -0.02 0.00 0.00 0.00 0.00 23.12 21.68 1vhj s ALA 199 CO -0.03 -0.33 -0.13 0.42 0.00 0.00 0.00 175.76 175.70 1vhj s ILE 200 N 1.28 3.19 0.06 0.00 1.01 0.42 -1.16 121.20 126.00 1vhj s ILE 200 Ca 0.04 -0.66 0.01 0.00 0.00 0.00 0.00 60.65 60.03 1vhj s ILE 200 Cb -0.14 -2.28 -0.03 0.00 0.01 0.00 0.00 42.46 40.02 1vhj s ILE 200 CO -0.08 0.58 -0.05 0.00 0.00 0.00 0.00 174.94 175.39 1vhj s THR 202 N -2.87 2.61 -0.44 0.00 -1.32 -0.55 -0.06 115.64 113.01 1vhj s THR 202 Ca 0.01 -0.85 -0.29 0.00 -1.21 0.00 0.00 61.69 59.35 1vhj s THR 202 Cb 0.00 -2.03 0.02 0.00 -1.51 0.00 0.00 72.50 68.99 1vhj s THR 202 CO -0.05 0.56 1.29 -0.69 -2.21 0.00 0.00 174.62 173.52 1vhj s VAL 203 N -0.02 4.03 -0.12 5.08 1.01 -0.15 -1.50 120.40 128.73 1vhj s VAL 203 Ca -0.05 1.05 0.19 0.00 0.00 0.00 0.00 61.98 63.16 1vhj s VAL 203 Cb -0.15 -4.38 -0.21 0.00 0.00 0.00 0.00 36.38 31.64 1vhj s VAL 203 CO 0.05 -0.88 0.54 -1.54 0.00 0.00 0.00 175.10 173.27 1vhj n SER 204 N 8.41 0.39 -3.84 3.32 3.41 -0.96 0.41 113.62 124.76 1vhj n SER 204 Ca 0.15 0.17 -0.11 0.00 -0.26 0.00 0.00 58.87 58.81 1vhj n SER 204 Cb 0.48 0.92 -0.09 0.00 -0.26 0.00 0.00 64.21 65.27 1vhj n SER 204 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1vhj s ASP 205 N -5.32 0.01 -0.37 4.04 1.01 -1.25 -3.82 116.67 110.95 1vhj s ASP 205 Ca -0.06 -0.27 -0.09 0.00 0.71 0.00 0.00 52.55 52.83 1vhj s ASP 205 Cb 0.09 0.27 0.04 0.00 1.01 0.00 0.00 42.92 44.34 1vhj s ASP 205 CO 0.84 -0.50 0.19 -2.28 0.21 0.00 0.00 175.17 173.63 1vhj s HIS 206 N -2.11 3.27 0.20 4.23 2.46 -0.63 -0.33 115.29 122.38 1vhj s HIS 206 Ca -0.09 -1.21 -0.11 0.00 0.47 0.00 0.00 55.06 54.12 1vhj s HIS 206 Cb -0.03 -2.49 0.15 0.00 -0.13 0.00 0.00 32.58 30.08 1vhj s HIS 206 CO -0.01 -0.71 1.87 0.82 -2.47 0.00 0.00 174.74 174.23 1vhj h ILE 207 N 6.01 1.17 0.13 0.89 2.04 -0.50 -1.65 117.51 125.59 1vhj h ILE 207 Ca -0.24 -0.33 -0.28 0.00 1.00 0.00 0.00 64.86 65.01 1vhj h ILE 207 Cb 1.09 0.13 0.03 0.00 -0.74 0.00 0.00 36.82 37.33 1vhj h ILE 207 CO 0.67 0.17 -1.17 0.50 0.00 0.00 0.00 178.15 178.32 1vhj h LYS 208 N 0.96 0.56 -0.11 2.37 3.64 -1.84 -3.36 116.57 118.79 1vhj h LYS 208 Ca 0.27 -0.78 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 1vhj h LYS 208 Cb -0.09 0.26 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1vhj h LYS 208 CO -0.06 1.35 0.00 0.25 -2.27 0.00 0.00 179.45 178.72 1vhj n THR 209 N -3.86 0.12 -0.85 1.00 -2.24 -1.23 -4.97 114.28 102.25 1vhj n THR 209 Ca -0.14 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 1vhj n THR 209 Cb 0.96 1.36 0.00 0.00 -2.10 0.00 0.00 70.33 70.55 1vhj n THR 209 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1vhj n GLY 210 N 1.34 0.77 3.71 3.38 0.00 -0.62 -4.98 105.19 108.80 1vhj n GLY 210 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 1vhj n GLY 210 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1vhj n GLU 211 N -2.00 2.34 -4.47 1.61 -0.58 -1.23 -4.82 120.64 111.49 1vhj n GLU 211 Ca 0.00 0.83 -0.22 0.00 -0.42 0.00 0.00 57.16 57.35 1vhj n GLU 211 Cb 0.00 -2.51 -0.11 0.00 -0.57 0.00 0.00 31.44 28.25 1vhj n GLU 211 CO 0.00 0.00 0.00 1.14 -0.48 0.00 0.00 177.13 177.79 1vhj s GLN 212 N -1.08 1.68 0.22 3.49 1.03 -1.26 -1.60 119.66 122.14 1vhj s GLN 212 Ca 0.61 -1.93 0.04 0.00 0.04 0.00 0.00 55.36 54.12 1vhj s GLN 212 Cb -0.56 -0.96 -0.05 0.00 0.03 0.00 0.00 33.01 31.47 1vhj s GLN 212 CO 0.55 -0.16 -0.01 0.95 -2.54 0.00 0.00 175.29 174.07 1vhj s THR 213 N -3.22 1.06 0.74 3.63 -4.23 -1.25 -5.01 115.64 107.37 1vhj s THR 213 Ca 0.36 -2.04 -0.05 0.00 -1.18 0.00 0.00 61.69 58.78 1vhj s THR 213 Cb 0.09 -2.29 0.11 0.00 1.34 0.00 0.00 72.50 71.74 1vhj s THR 213 CO 0.16 -0.37 1.04 0.42 -0.54 0.00 0.00 174.62 175.33 1vhj s THR 214 N -3.40 2.22 -0.11 3.99 -4.23 -1.26 -4.96 115.64 107.89 1vhj s THR 214 Ca 0.27 -0.39 0.26 0.00 -1.18 0.00 0.00 61.69 60.65 1vhj s THR 214 Cb 0.05 -2.83 0.30 0.00 1.34 0.00 0.00 72.50 71.37 1vhj s THR 214 CO 0.08 0.00 1.76 -1.28 -0.54 0.00 0.00 174.62 174.64 1vhj h SER 215 N -0.69 0.00 0.59 3.99 0.87 -2.02 -2.95 113.55 113.34 1vhj h SER 215 Ca -0.41 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.12 1vhj h SER 215 Cb 1.28 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.25 1vhj h SER 215 CO 0.47 0.11 -0.28 -0.33 -0.53 0.00 0.00 176.83 176.27 1vhj h GLU 216 N 0.00 -0.76 -0.86 2.24 3.07 -2.00 -1.92 114.58 114.36 1vhj h GLU 216 Ca -0.00 0.05 0.20 0.00 -0.50 0.00 0.00 59.36 59.11 1vhj h GLU 216 Cb 0.83 0.17 -0.12 0.00 -0.84 0.00 0.00 28.75 28.79 1vhj h GLU 216 CO 0.01 -0.51 0.35 1.05 -1.40 0.00 0.00 179.01 178.52 1vhj h GLU 217 N -1.10 0.39 -0.14 2.33 4.11 -1.96 0.15 114.58 118.36 1vhj h GLU 217 Ca -0.08 -0.02 -0.09 0.00 0.07 0.00 0.00 59.36 59.24 1vhj h GLU 217 Cb 0.60 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1vhj h GLU 217 CO 0.13 0.26 -0.31 0.00 0.07 0.00 0.00 179.01 179.16 1vhj h ARG 218 N 0.40 0.26 -0.25 1.06 3.08 -1.54 -0.40 114.38 117.00 1vhj h ARG 218 Ca 0.51 -0.10 -0.05 0.00 0.07 0.00 0.00 59.98 60.41 1vhj h ARG 218 Cb 0.93 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.95 1vhj h ARG 218 CO -0.50 0.56 -0.04 0.37 -1.07 0.00 0.00 179.97 179.28 1vhj h GLN 219 N 0.23 0.47 -0.24 0.04 5.75 0.10 -1.09 115.11 120.37 1vhj h GLN 219 Ca 0.03 -0.17 -0.01 0.00 -0.15 0.00 0.00 58.65 58.35 1vhj h GLN 219 Cb 0.67 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.18 1vhj h GLN 219 CO 0.05 0.68 0.11 -0.91 -2.65 0.00 0.00 178.83 176.10 1vhj h ASN 220 N 0.22 0.32 -0.23 -0.69 -0.26 -1.07 0.37 115.58 114.24 1vhj h ASN 220 Ca 0.07 -0.15 -0.08 0.00 -0.56 0.00 0.00 56.30 55.58 1vhj h ASN 220 Cb 0.49 -0.08 -0.02 0.00 -1.06 0.00 0.00 38.32 37.65 1vhj h ASN 220 CO 0.02 0.38 -0.10 0.00 -1.06 0.00 0.00 177.43 176.67 1vhj h THR 221 N 0.25 1.24 -0.81 2.81 1.03 -1.10 -0.88 112.91 115.44 1vhj h THR 221 Ca 0.08 -1.05 -0.02 0.00 -0.01 0.00 0.00 66.41 65.41 1vhj h THR 221 Cb 0.15 1.07 -0.04 0.00 -1.07 0.00 0.00 68.15 68.27 1vhj h THR 221 CO -0.01 0.35 0.42 0.15 -0.01 0.00 0.00 175.52 176.43 1vhj h PHE 222 N 0.57 1.13 -0.66 0.00 3.57 -0.91 -1.90 116.94 118.73 1vhj h PHE 222 Ca 0.10 -0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.53 1vhj h PHE 222 Cb 0.51 -0.36 -0.03 0.00 2.79 0.00 0.00 35.95 38.86 1vhj h PHE 222 CO 0.02 0.80 0.26 -0.91 -2.23 0.00 0.00 178.31 176.25 1vhj h ASN 223 N 1.13 0.90 -0.03 0.41 2.35 0.38 -2.52 115.58 118.19 1vhj h ASN 223 Ca 0.28 -0.13 -0.00 0.00 -0.55 0.00 0.00 56.30 55.90 1vhj h ASN 223 Cb 0.07 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.20 1vhj h ASN 223 CO -0.04 0.81 0.02 -0.33 -1.65 0.00 0.00 177.43 176.23 1vhj h GLU 224 N 0.96 0.05 -0.52 0.81 3.07 -0.76 -2.74 114.58 115.44 1vhj h GLU 224 Ca 0.22 -0.01 0.10 0.00 -0.50 0.00 0.00 59.36 59.18 1vhj h GLU 224 Cb 0.20 -0.01 -0.08 0.00 -0.84 0.00 0.00 28.75 28.01 1vhj h GLU 224 CO -0.02 0.14 0.01 1.98 -1.40 0.00 0.00 179.01 179.72 1vhj h MET 225 N -0.06 0.12 -0.55 2.33 1.85 -1.13 -0.90 114.93 116.58 1vhj h MET 225 Ca 0.01 -0.01 -0.07 0.00 -0.61 0.00 0.00 59.70 59.03 1vhj h MET 225 Cb 0.11 -0.03 -0.02 0.00 0.43 0.00 0.00 31.60 32.09 1vhj h MET 225 CO -0.00 0.08 0.07 0.82 -0.40 0.00 0.00 176.91 177.48 1vhj h ILE 226 N 0.12 1.24 -0.31 1.77 1.08 -1.36 -1.10 117.51 118.96 1vhj h ILE 226 Ca 0.26 -0.96 -0.12 0.00 -0.39 0.00 0.00 64.86 63.65 1vhj h ILE 226 Cb 0.40 0.74 -0.01 0.00 -3.07 0.00 0.00 36.82 34.88 1vhj h ILE 226 CO -0.43 0.35 -0.31 -0.33 -0.69 0.00 0.00 178.15 176.74 1vhj h GLU 227 N 0.85 0.66 0.02 2.37 5.08 -1.05 -0.70 114.58 121.80 1vhj h GLU 227 Ca 0.17 -0.30 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1vhj h GLU 227 Cb 0.40 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1vhj h GLU 227 CO 0.01 0.89 -0.01 0.82 -1.00 0.00 0.00 179.01 179.72 1vhj h ILE 228 N 0.56 1.08 -0.27 3.13 2.04 -0.97 0.40 117.51 123.49 1vhj h ILE 228 Ca 0.07 -0.31 0.04 0.00 1.00 0.00 0.00 64.86 65.65 1vhj h ILE 228 Cb 0.81 1.29 -0.04 0.00 -0.74 0.00 0.00 36.82 38.15 1vhj h ILE 228 CO 0.07 0.08 0.04 0.00 0.00 0.00 0.00 178.15 178.34 1vhj h ALA 229 N 0.81 0.27 -0.32 1.87 0.00 -1.05 0.28 119.26 121.13 1vhj h ALA 229 Ca -0.00 0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 1vhj h ALA 229 Cb 0.15 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1vhj h ALA 229 CO 0.00 -0.37 -0.30 -0.07 0.00 0.00 0.00 179.25 178.51 1vhj h LEU 230 N 0.14 0.70 -0.67 0.00 3.38 -0.97 -2.31 115.31 115.59 1vhj h LEU 230 Ca 0.12 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1vhj h LEU 230 Cb 0.13 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1vhj h LEU 230 CO -0.17 0.96 0.40 0.44 0.09 0.00 0.00 178.44 180.15 1vhj h ASP 231 N 0.58 0.81 -0.09 -0.43 3.32 -0.30 -2.18 116.42 118.14 1vhj h ASP 231 Ca 0.07 -0.07 0.01 0.00 0.02 0.00 0.00 57.03 57.06 1vhj h ASP 231 Cb 0.80 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 40.15 1vhj h ASP 231 CO 0.07 0.64 0.06 0.77 -1.72 0.00 0.00 179.24 179.06 1vhj h SER 232 N 0.91 0.08 -0.28 6.45 4.64 -0.14 -1.04 113.55 124.17 1vhj h SER 232 Ca 0.24 -0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.53 1vhj h SER 232 Cb -0.01 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.05 1vhj h SER 232 CO -0.04 0.05 0.08 0.58 -0.87 0.00 0.00 176.83 176.63 1vhj h VAL 233 N 0.09 1.20 -0.48 0.95 2.07 -0.84 0.11 116.25 119.35 1vhj h VAL 233 Ca 0.03 -0.65 -0.05 0.00 0.82 0.00 0.00 66.70 66.86 1vhj h VAL 233 Cb 0.03 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 1vhj h VAL 233 CO -0.01 0.21 0.10 -0.07 0.02 0.00 0.00 177.57 177.83 1vhj h LEU 234 N 0.28 0.75 -0.74 2.57 3.38 -1.15 -1.60 115.31 118.80 1vhj h LEU 234 Ca 0.09 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1vhj h LEU 234 Cb 0.25 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 1vhj h LEU 234 CO -0.00 0.80 0.48 0.40 0.09 0.00 0.00 178.44 180.20 1vhj h ILE 235 N 0.66 1.19 0.00 1.22 2.04 -1.15 -1.75 117.51 119.72 1vhj h ILE 235 Ca 0.15 -0.37 -0.03 0.00 1.00 0.00 0.00 64.86 65.61 1vhj h ILE 235 Cb 0.35 0.13 -0.00 0.00 -0.74 0.00 0.00 36.82 36.55 1vhj h ILE 235 CO 0.00 0.19 -0.14 1.23 0.00 0.00 0.00 178.15 179.43 1vhj h GLY 236 N 1.00 0.00 2.00 5.37 0.00 -0.52 -2.04 103.07 108.88 1vhj h GLY 236 Ca 0.27 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.47 1vhj h GLY 236 CO -0.06 0.00 -0.62 -0.55 0.00 0.00 0.00 176.54 175.32 1vhj h ASP 237 N 0.00 0.00 0.00 0.19 3.32 -0.38 -3.51 116.42 116.04 1vhj h ASP 237 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1vhj h ASP 237 Cb 0.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.86 1vhj h ASP 237 CO 0.02 0.62 0.00 0.00 -1.72 0.00 0.00 179.24 178.16