#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hjz s GLU 2 N 0.00 3.07 -0.14 2.12 2.12 -0.91 -4.98 118.70 119.98 1hjz s GLU 2 Ca 0.00 -0.79 -0.28 0.00 0.36 0.00 0.00 54.97 54.26 1hjz s GLU 2 Cb 0.00 -2.63 -0.01 0.00 0.26 0.00 0.00 34.13 31.75 1hjz s GLU 2 CO 0.00 -0.16 0.95 0.08 -0.54 0.00 0.00 175.26 175.58 1hjz s VAL 3 N 1.22 4.81 -0.10 3.70 1.01 -1.26 -0.48 120.40 129.30 1hjz s VAL 3 Ca 0.03 1.89 0.20 0.00 0.00 0.00 0.00 61.98 64.10 1hjz s VAL 3 Cb -0.14 -4.25 -0.29 0.00 0.00 0.00 0.00 36.38 31.70 1hjz s VAL 3 CO -0.09 -0.01 0.30 0.18 0.00 0.00 0.00 175.10 175.49 1hjz n LEU 4 N 5.22 0.00 -3.76 3.92 4.77 0.25 -4.98 117.00 122.42 1hjz n LEU 4 Ca 0.07 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.92 1hjz n LEU 4 Cb 0.48 0.20 -0.09 0.00 -2.33 0.00 0.00 43.42 41.68 1hjz n LEU 4 CO 0.51 0.20 0.02 0.12 -1.33 0.00 0.00 177.39 176.90 1hjz s PHE 5 N -3.07 -0.21 -0.22 -1.77 5.36 -1.06 -4.95 117.98 112.06 1hjz s PHE 5 Ca -0.09 0.36 -0.05 0.00 -0.96 0.00 0.00 56.93 56.19 1hjz s PHE 5 Cb 0.10 0.10 0.11 0.00 -0.34 0.00 0.00 43.02 43.00 1hjz s PHE 5 CO 0.85 -0.36 0.43 -2.00 -1.46 0.00 0.00 175.22 172.68 1hjz s GLU 6 N -1.10 0.36 0.12 10.12 2.12 -1.26 -1.51 118.70 127.55 1hjz s GLU 6 Ca -0.12 0.90 -0.06 0.00 0.36 0.00 0.00 54.97 56.05 1hjz s GLU 6 Cb -0.05 0.12 -0.02 0.00 0.26 0.00 0.00 34.13 34.44 1hjz s GLU 6 CO 0.04 -0.39 0.17 0.00 -0.54 0.00 0.00 175.26 174.53 1hjz s ALA 7 N 2.62 0.19 -0.24 6.30 0.00 -0.37 -5.00 121.76 125.26 1hjz s ALA 7 Ca 0.04 -0.98 -0.09 0.00 0.00 0.00 0.00 51.96 50.94 1hjz s ALA 7 Cb -0.13 0.67 -0.04 0.00 0.00 0.00 0.00 23.12 23.62 1hjz s ALA 7 CO -0.14 -0.54 0.12 0.15 0.00 0.00 0.00 175.76 175.35 1hjz s LYS 8 N -3.95 3.86 -0.86 0.00 1.02 -1.26 -0.21 119.74 118.33 1hjz s LYS 8 Ca 0.14 -0.38 -0.01 0.00 0.02 0.00 0.00 55.97 55.74 1hjz s LYS 8 Cb 0.05 -3.43 0.21 0.00 -0.52 0.00 0.00 37.83 34.14 1hjz s LYS 8 CO -0.04 -0.07 0.74 0.08 -0.92 0.00 0.00 175.35 175.14 1hjz s VAL 9 N 1.36 4.15 0.00 3.17 1.01 -0.02 -4.97 120.40 125.10 1hjz s VAL 9 Ca 0.06 -3.91 0.00 0.00 0.00 0.00 0.00 61.98 58.13 1hjz s VAL 9 Cb -0.15 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.64 1hjz s VAL 9 CO 0.05 -1.07 0.00 0.61 0.00 0.00 0.00 175.10 174.69 1hjz n GLY 10 N 2.30 1.19 1.07 4.51 0.00 -1.26 -3.08 105.19 109.92 1hjz n GLY 10 Ca 0.21 -0.74 0.10 0.00 0.00 0.00 0.00 46.02 45.59 1hjz n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1hjz n ASP 11 N 6.23 3.12 -4.66 1.61 9.92 -1.26 -4.91 116.55 126.60 1hjz n ASP 11 Ca 0.00 -1.98 -0.35 0.00 -0.53 0.00 0.00 54.79 51.93 1hjz n ASP 11 Cb 0.00 -0.36 -0.10 0.00 -0.64 0.00 0.00 41.12 40.02 1hjz n ASP 11 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1hjz s ILE 12 N -1.28 4.20 -0.42 0.53 1.01 -1.18 -4.66 121.20 119.39 1hjz s ILE 12 Ca 0.39 -0.29 -0.16 0.00 0.00 0.00 0.00 60.65 60.59 1hjz s ILE 12 Cb 0.21 -2.76 0.03 0.00 0.01 0.00 0.00 42.46 39.94 1hjz s ILE 12 CO 0.28 0.60 0.37 -0.89 0.00 0.00 0.00 174.94 175.29 1hjz s THR 13 N -0.80 5.19 -0.14 2.92 2.01 0.43 -0.84 115.64 124.41 1hjz s THR 13 Ca 0.12 -0.60 -0.14 0.00 0.31 0.00 0.00 61.69 61.38 1hjz s THR 13 Cb -0.11 -4.00 -0.05 0.00 0.01 0.00 0.00 72.50 68.35 1hjz s THR 13 CO 0.02 -0.40 0.30 -0.22 -0.69 0.00 0.00 174.62 173.64 1hjz s LEU 14 N 1.86 4.28 0.06 4.42 2.96 0.70 -1.85 118.68 131.11 1hjz s LEU 14 Ca 0.08 0.57 0.05 0.00 -0.22 0.00 0.00 54.13 54.60 1hjz s LEU 14 Cb -0.19 -2.39 -0.03 0.00 0.50 0.00 0.00 46.19 44.08 1hjz s LEU 14 CO 0.11 0.14 -0.14 -0.54 -1.32 0.00 0.00 176.35 174.60 1hjz s LYS 15 N 0.20 0.82 -0.24 1.98 1.02 -0.38 -1.23 119.74 121.91 1hjz s LYS 15 Ca 0.18 -0.91 -0.01 0.00 0.02 0.00 0.00 55.97 55.24 1hjz s LYS 15 Cb -0.13 -0.82 0.02 0.00 -0.52 0.00 0.00 37.83 36.38 1hjz s LYS 15 CO 0.05 0.19 -0.07 -1.17 -0.92 0.00 0.00 175.35 173.42 1hjz s LEU 16 N -1.62 3.09 0.09 3.17 2.96 -0.57 -0.95 118.68 124.86 1hjz s LEU 16 Ca -0.02 -0.84 0.10 0.00 -0.22 0.00 0.00 54.13 53.14 1hjz s LEU 16 Cb -0.10 -1.65 -0.03 0.00 0.50 0.00 0.00 46.19 44.91 1hjz s LEU 16 CO 0.02 -0.11 -0.25 0.00 -1.32 0.00 0.00 176.35 174.69 1hjz s ALA 17 N 1.32 2.17 -0.28 5.97 0.00 -0.17 0.87 121.76 131.65 1hjz s ALA 17 Ca 0.01 -1.32 -0.07 0.00 0.00 0.00 0.00 51.96 50.57 1hjz s ALA 17 Cb -0.16 -0.38 -0.01 0.00 0.00 0.00 0.00 23.12 22.57 1hjz s ALA 17 CO -0.05 0.49 0.09 -1.14 0.00 0.00 0.00 175.76 175.15 1hjz s GLN 18 N -1.68 3.35 0.00 0.00 0.74 0.37 -1.14 119.66 121.31 1hjz s GLN 18 Ca 0.11 -0.69 0.00 0.00 0.05 0.00 0.00 55.36 54.84 1hjz s GLN 18 Cb -0.10 -3.38 0.00 0.00 1.10 0.00 0.00 33.01 30.63 1hjz s GLN 18 CO 0.04 -0.34 0.00 0.41 -0.55 0.00 0.00 175.29 174.85 1hjz n GLY 19 N 4.91 -1.15 3.57 2.59 0.00 0.18 -2.15 105.19 113.14 1hjz n GLY 19 Ca -0.15 -1.10 -0.42 0.00 0.00 0.00 0.00 46.02 44.35 1hjz n GLY 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1hjz s ASP 20 N -4.00 6.49 0.58 1.61 3.68 -1.26 -3.51 116.67 120.26 1hjz s ASP 20 Ca 0.00 0.21 0.28 0.00 2.13 0.00 0.00 52.55 55.17 1hjz s ASP 20 Cb 0.00 -2.38 1.63 0.00 -1.45 0.00 0.00 42.92 40.73 1hjz s ASP 20 CO 0.00 -0.73 2.11 -0.29 0.13 0.00 0.00 175.17 176.39 1hjz h ILE 21 N 5.77 0.52 0.00 4.11 2.10 -1.95 -0.07 117.51 127.99 1hjz h ILE 21 Ca -0.25 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.69 1hjz h ILE 21 Cb 1.10 0.85 0.00 0.00 -1.09 0.00 0.00 36.82 37.68 1hjz h ILE 21 CO 0.90 0.00 0.00 0.35 -1.08 0.00 0.00 178.15 178.32 1hjz n THR 22 N -3.88 0.20 -0.00 2.19 -2.24 -1.26 -2.10 114.28 107.19 1hjz n THR 22 Ca 0.01 0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 1hjz n THR 22 Cb 0.31 -0.72 0.00 0.00 -2.10 0.00 0.00 70.33 67.82 1hjz n THR 22 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hjz n GLN 23 N -1.15 2.43 -2.67 -0.78 6.02 -0.04 -5.02 117.38 116.17 1hjz n GLN 23 Ca 0.13 -1.37 -0.41 0.00 -0.01 0.00 0.00 57.00 55.33 1hjz n GLN 23 Cb 0.12 -1.01 -0.04 0.00 1.02 0.00 0.00 30.24 30.33 1hjz n GLN 23 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 1hjz s TYR 24 N -0.86 3.75 -1.25 1.08 5.04 -0.89 -4.95 117.35 119.27 1hjz s TYR 24 Ca 0.01 1.74 -0.20 0.00 -2.44 0.00 0.00 57.07 56.17 1hjz s TYR 24 Cb 0.00 -3.12 -0.00 0.00 0.35 0.00 0.00 41.96 39.19 1hjz s TYR 24 CO 0.00 -0.03 1.84 -0.35 -1.34 0.00 0.00 175.55 175.67 1hjz n PRO 25 N 2.77 2.50 -3.96 4.97 -0.04 -1.26 -4.84 135.00 135.14 1hjz n PRO 25 Ca 0.03 -2.90 -0.10 0.00 -0.04 0.00 0.00 63.50 60.48 1hjz n PRO 25 Cb 0.48 -3.58 -0.12 0.00 -0.04 0.00 0.00 33.50 30.24 1hjz n PRO 25 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1hjz s ALA 26 N 7.06 0.12 0.36 0.55 0.00 -1.26 -4.97 121.76 123.61 1hjz s ALA 26 Ca 0.60 -0.45 0.20 0.00 0.00 0.00 0.00 51.96 52.31 1hjz s ALA 26 Cb 0.03 0.10 1.03 0.00 0.00 0.00 0.00 23.12 24.27 1hjz s ALA 26 CO 0.10 -0.11 1.92 0.87 0.00 0.00 0.00 175.76 178.54 1hjz h LYS 27 N 5.04 0.00 -3.62 0.00 1.57 -1.68 -3.32 116.57 114.55 1hjz h LYS 27 Ca -0.30 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.23 1hjz h LYS 27 Cb 1.21 0.00 -0.30 0.00 0.08 0.00 0.00 32.23 33.22 1hjz h LYS 27 CO 0.44 0.25 -0.70 0.00 -0.57 0.00 0.00 179.45 178.86 1hjz s ALA 28 N -4.14 -0.02 0.03 3.86 0.00 -1.02 -0.52 121.76 119.95 1hjz s ALA 28 Ca -0.02 0.15 0.07 0.00 0.00 0.00 0.00 51.96 52.16 1hjz s ALA 28 Cb 0.13 -0.11 -0.03 0.00 0.00 0.00 0.00 23.12 23.11 1hjz s ALA 28 CO 0.66 -0.04 -0.19 0.96 0.00 0.00 0.00 175.76 177.15 1hjz s ILE 29 N 0.35 2.69 -0.04 0.00 -4.36 -0.83 -1.35 121.20 117.67 1hjz s ILE 29 Ca -0.03 -1.15 -0.13 0.00 -0.26 0.00 0.00 60.65 59.07 1hjz s ILE 29 Cb -0.04 -2.10 -0.05 0.00 1.25 0.00 0.00 42.46 41.51 1hjz s ILE 29 CO -0.01 0.39 0.35 -0.69 0.24 0.00 0.00 174.94 175.22 1hjz s VAL 30 N -0.87 5.15 -0.13 8.37 1.01 0.91 -0.71 120.40 134.12 1hjz s VAL 30 Ca 0.14 0.70 -0.04 0.00 0.00 0.00 0.00 61.98 62.78 1hjz s VAL 30 Cb -0.10 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 1hjz s VAL 30 CO 0.04 0.56 0.01 0.21 0.00 0.00 0.00 175.10 175.91 1hjz s ASN 31 N -0.86 5.21 -0.82 3.32 2.47 -0.14 -4.30 114.94 119.82 1hjz s ASN 31 Ca 0.22 0.05 -0.19 0.00 0.42 0.00 0.00 52.86 53.35 1hjz s ASN 31 Cb -0.15 -1.70 0.12 0.00 -1.45 0.00 0.00 41.25 38.06 1hjz s ASN 31 CO 0.11 0.26 1.00 0.00 -3.72 0.00 0.00 177.10 174.75 1hjz s ALA 32 N -0.18 3.38 0.57 1.71 0.00 -1.26 -1.79 121.76 124.19 1hjz s ALA 32 Ca 0.05 -2.55 0.07 0.00 0.00 0.00 0.00 51.96 49.53 1hjz s ALA 32 Cb -0.12 -3.89 0.06 0.00 0.00 0.00 0.00 23.12 19.17 1hjz s ALA 32 CO 0.02 -2.79 0.56 0.00 0.00 0.00 0.00 175.76 173.54 1hjz s ALA 33 N 2.76 4.58 0.39 0.00 0.00 -0.26 -4.34 121.76 124.89 1hjz s ALA 33 Ca 0.26 -1.53 0.07 0.00 0.00 0.00 0.00 51.96 50.76 1hjz s ALA 33 Cb -0.11 -0.97 0.00 0.00 0.00 0.00 0.00 23.12 22.04 1hjz s ALA 33 CO -0.03 -0.63 0.54 0.54 0.00 0.00 0.00 175.76 176.17 1hjz s ASN 34 N -4.45 5.79 0.55 0.00 2.20 -1.26 -4.22 114.94 113.55 1hjz s ASN 34 Ca 0.43 -0.27 0.37 0.00 -0.94 0.00 0.00 52.86 52.45 1hjz s ASN 34 Cb -0.03 -0.96 2.00 0.00 -2.00 0.00 0.00 41.25 40.25 1hjz s ASN 34 CO 0.27 -0.62 2.13 0.07 -2.94 0.00 0.00 177.10 176.01 1hjz h LYS 35 N 0.72 0.00 -0.02 3.55 2.10 -1.93 -1.56 116.57 119.42 1hjz h LYS 35 Ca -0.43 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 1hjz h LYS 35 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 1hjz h LYS 35 CO 0.49 0.00 -0.14 0.54 -2.00 0.00 0.00 179.45 178.34 1hjz n ARG 36 N -2.79 1.88 -2.96 0.07 5.12 -1.26 -1.87 116.66 114.85 1hjz n ARG 36 Ca -0.02 -1.51 -0.22 0.00 -1.93 0.00 0.00 57.85 54.17 1hjz n ARG 36 Cb 0.06 -1.47 0.03 0.00 -1.16 0.00 0.00 32.46 29.92 1hjz n ARG 36 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1hjz n LEU 37 N 0.76 -2.63 -4.41 0.55 4.77 -0.59 -4.80 117.00 110.65 1hjz n LEU 37 Ca 0.13 -0.26 -0.44 0.00 -0.03 0.00 0.00 56.01 55.41 1hjz n LEU 37 Cb 0.53 -2.95 -0.05 0.00 -2.33 0.00 0.00 43.42 38.62 1hjz n LEU 37 CO 0.19 0.20 0.40 -1.61 -1.33 0.00 0.00 177.39 175.24 1hjz s GLU 38 N -5.63 3.08 -1.43 3.23 2.02 -1.26 -4.65 118.70 114.05 1hjz s GLU 38 Ca 0.28 -1.13 -0.12 0.00 0.02 0.00 0.00 54.97 54.02 1hjz s GLU 38 Cb -0.12 -4.20 0.06 0.00 0.10 0.00 0.00 34.13 29.97 1hjz s GLU 38 CO 0.34 -1.43 2.24 0.72 0.02 0.00 0.00 175.26 177.15 1hjz n HIS 39 N 6.34 3.18 1.09 1.61 8.25 -1.26 -4.71 115.22 129.72 1hjz n HIS 39 Ca -0.08 -2.93 0.13 0.00 -0.26 0.00 0.00 57.72 54.57 1hjz n HIS 39 Cb 0.44 -2.35 0.36 0.00 1.12 0.00 0.00 29.99 29.55 1hjz n HIS 39 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1hjz n GLY 40 N 3.55 -1.11 3.69 -1.41 0.00 -1.26 -4.07 105.19 104.58 1hjz n GLY 40 Ca 0.53 -0.32 -0.01 0.00 0.00 0.00 0.00 46.02 46.22 1hjz n GLY 40 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1hjz s GLY 41 N -2.84 -0.32 0.00 -0.02 0.00 -1.26 -4.89 107.32 97.99 1hjz s GLY 41 Ca 0.16 0.40 0.00 0.00 0.00 0.00 0.00 44.72 45.28 1hjz s GLY 41 CO 0.62 0.11 0.00 0.61 0.00 0.00 0.00 173.10 174.44 1hjz n GLY 42 N -0.49 0.26 0.26 0.20 0.00 -1.26 -2.75 105.19 101.42 1hjz n GLY 42 Ca -0.07 -0.91 0.09 0.00 0.00 0.00 0.00 46.02 45.13 1hjz n GLY 42 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1hjz h VAL 43 N 0.00 0.87 -0.68 1.61 3.04 -1.99 -1.49 116.25 117.61 1hjz h VAL 43 Ca 0.00 -0.25 -0.03 0.00 -1.01 0.00 0.00 66.70 65.42 1hjz h VAL 43 Cb 0.00 1.14 -0.03 0.00 -2.01 0.00 0.00 31.29 30.39 1hjz h VAL 43 CO 0.00 0.07 0.32 0.00 -1.01 0.00 0.00 177.57 176.95 1hjz h ALA 44 N 1.93 0.88 -0.34 3.17 0.00 -1.75 0.00 119.26 123.16 1hjz h ALA 44 Ca -0.00 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1hjz h ALA 44 Cb 0.13 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1hjz h ALA 44 CO 0.01 0.44 0.01 -0.92 0.00 0.00 0.00 179.25 178.80 1hjz h TYR 45 N 0.94 0.63 -0.44 0.00 3.20 -1.10 -0.65 116.97 119.56 1hjz h TYR 45 Ca 0.23 -0.11 0.03 0.00 3.14 0.00 0.00 58.73 62.03 1hjz h TYR 45 Cb 0.13 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.19 1hjz h TYR 45 CO 0.01 0.69 0.23 0.00 -1.64 0.00 0.00 178.16 177.45 1hjz h ALA 46 N 0.86 0.55 -0.22 1.82 0.00 -1.02 -0.20 119.26 121.05 1hjz h ALA 46 Ca 0.10 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1hjz h ALA 46 Cb 0.43 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1hjz h ALA 46 CO 0.01 -0.11 0.00 0.82 0.00 0.00 0.00 179.25 179.98 1hjz h ILE 47 N 0.47 1.25 -0.10 0.00 2.04 -0.92 -1.00 117.51 119.24 1hjz h ILE 47 Ca 0.18 -0.87 0.04 0.00 1.00 0.00 0.00 64.86 65.21 1hjz h ILE 47 Cb 0.07 1.38 -0.04 0.00 -0.74 0.00 0.00 36.82 37.49 1hjz h ILE 47 CO -0.12 0.27 -0.13 0.00 0.00 0.00 0.00 178.15 178.18 1hjz h ALA 48 N 0.81 -0.06 -0.21 1.87 0.00 -0.78 -0.64 119.26 120.24 1hjz h ALA 48 Ca 0.06 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 1hjz h ALA 48 Cb 0.39 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1hjz h ALA 48 CO 0.01 -0.59 -0.41 -0.22 0.00 0.00 0.00 179.25 178.04 1hjz h LYS 49 N -0.17 0.49 -0.60 0.00 3.64 -1.03 -1.66 116.57 117.24 1hjz h LYS 49 Ca 0.08 -0.25 -0.03 0.00 -1.27 0.00 0.00 60.65 59.19 1hjz h LYS 49 Cb 0.28 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 1hjz h LYS 49 CO -0.20 0.81 0.26 0.00 -2.27 0.00 0.00 179.45 178.05 1hjz h ALA 50 N 1.16 1.33 0.03 5.00 0.00 -0.75 0.43 119.26 126.46 1hjz h ALA 50 Ca 0.03 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 1hjz h ALA 50 Cb 0.89 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.44 1hjz h ALA 50 CO 0.08 0.51 -0.34 0.00 0.00 0.00 0.00 179.25 179.49 1hjz n ALA 52 N -2.59 3.73 -0.09 0.00 0.00 -0.64 -1.54 120.51 119.38 1hjz n ALA 52 Ca -0.11 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 52.92 1hjz n ALA 52 Cb 0.58 -0.51 0.00 0.00 0.00 0.00 0.00 19.45 19.52 1hjz n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hjz n GLY 53 N 1.30 1.85 3.17 0.00 0.00 0.15 -4.94 105.19 106.72 1hjz n GLY 53 Ca 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.01 1hjz n GLY 53 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1hjz s ASP 54 N -3.29 -0.55 0.42 1.61 3.68 -1.25 -4.95 116.67 112.33 1hjz s ASP 54 Ca 0.00 0.79 0.15 0.00 2.13 0.00 0.00 52.55 55.62 1hjz s ASP 54 Cb 0.00 1.65 1.04 0.00 -1.45 0.00 0.00 42.92 44.16 1hjz s ASP 54 CO 0.00 -0.26 1.91 0.00 0.13 0.00 0.00 175.17 176.95 1hjz h ALA 55 N 8.10 2.10 -0.92 3.66 0.00 -1.86 -0.41 119.26 129.93 1hjz h ALA 55 Ca -0.19 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.72 1hjz h ALA 55 Cb 1.14 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.82 1hjz h ALA 55 CO 0.21 -0.31 0.61 0.78 0.00 0.00 0.00 179.25 180.54 1hjz h GLY 56 N 0.43 1.30 0.96 0.00 0.00 -1.92 -1.00 103.07 102.85 1hjz h GLY 56 Ca 0.38 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 1hjz h GLY 56 CO -0.13 0.48 0.20 1.41 0.00 0.00 0.00 176.54 178.50 1hjz h LEU 57 N 1.25 0.52 -1.31 3.11 3.38 -1.45 -2.52 115.31 118.29 1hjz h LEU 57 Ca 0.34 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 58.11 1hjz h LEU 57 Cb -0.14 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 1hjz h LEU 57 CO -0.07 0.50 -0.34 0.22 0.09 0.00 0.00 178.44 178.84 1hjz h TYR 58 N 0.51 0.00 -0.34 1.13 3.20 -1.23 -1.34 116.97 118.91 1hjz h TYR 58 Ca 0.14 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.99 1hjz h TYR 58 Cb 0.11 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 1hjz h TYR 58 CO -0.01 0.34 0.13 1.15 -1.64 0.00 0.00 178.16 178.13 1hjz h THR 59 N 0.00 1.19 -0.52 1.81 2.02 -0.85 0.71 112.91 117.27 1hjz h THR 59 Ca -0.00 -0.58 -0.06 0.00 0.77 0.00 0.00 66.41 66.54 1hjz h THR 59 Cb 0.64 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 1hjz h THR 59 CO 0.04 0.20 0.09 -0.33 0.37 0.00 0.00 175.52 175.90 1hjz h GLU 60 N 0.40 0.85 -0.91 6.66 4.39 -1.03 -0.66 114.58 124.29 1hjz h GLU 60 Ca 0.11 -0.22 -0.01 0.00 0.34 0.00 0.00 59.36 59.58 1hjz h GLU 60 Cb 0.19 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 28.69 1hjz h GLU 60 CO -0.01 0.83 0.53 0.82 -1.16 0.00 0.00 179.01 180.02 1hjz h ILE 61 N 0.74 1.25 -0.48 3.13 2.04 -1.10 -1.73 117.51 121.37 1hjz h ILE 61 Ca 0.16 -0.58 -0.10 0.00 1.00 0.00 0.00 64.86 65.34 1hjz h ILE 61 Cb 0.39 -0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.44 1hjz h ILE 61 CO 0.01 0.27 -0.09 0.28 0.00 0.00 0.00 178.15 178.62 1hjz h SER 62 N 1.26 0.91 -0.64 1.72 0.02 -0.50 -1.73 113.55 114.60 1hjz h SER 62 Ca 0.32 -0.35 -0.08 0.00 -0.84 0.00 0.00 61.79 60.84 1hjz h SER 62 Cb -0.02 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.24 1hjz h SER 62 CO -0.06 1.05 0.10 0.11 -1.14 0.00 0.00 176.83 176.89 1hjz h LYS 63 N 0.75 1.07 -0.40 3.45 1.57 -0.79 -0.03 116.57 122.21 1hjz h LYS 63 Ca 0.12 -0.29 -0.04 0.00 -1.87 0.00 0.00 60.65 58.57 1hjz h LYS 63 Cb 0.64 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 1hjz h LYS 63 CO 0.04 0.99 0.07 -0.22 -0.57 0.00 0.00 179.45 179.76 1hjz h LYS 64 N 1.00 0.65 -0.80 3.15 3.64 -1.23 -1.30 116.57 121.68 1hjz h LYS 64 Ca 0.20 -0.17 -0.03 0.00 -1.27 0.00 0.00 60.65 59.38 1hjz h LYS 64 Cb 0.44 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.15 1hjz h LYS 64 CO 0.01 0.69 0.38 0.00 -2.27 0.00 0.00 179.45 178.26 1hjz h ALA 65 N 0.93 1.04 -0.54 5.00 0.00 -1.06 -1.59 119.26 123.03 1hjz h ALA 65 Ca 0.12 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1hjz h ALA 65 Cb 0.35 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1hjz h ALA 65 CO 0.01 0.61 0.09 1.98 0.00 0.00 0.00 179.25 181.94 1hjz h MET 66 N 1.14 0.90 -0.80 0.00 1.85 -0.81 0.34 114.93 117.56 1hjz h MET 66 Ca 0.27 -0.24 -0.05 0.00 -0.61 0.00 0.00 59.70 59.08 1hjz h MET 66 Cb 0.14 -0.10 -0.04 0.00 0.43 0.00 0.00 31.60 32.03 1hjz h MET 66 CO -0.03 0.87 0.32 0.00 -0.40 0.00 0.00 176.91 177.67 1hjz h ARG 67 N 0.78 1.19 -0.41 0.39 3.08 -0.96 0.12 114.38 118.58 1hjz h ARG 67 Ca 0.16 -0.22 -0.13 0.00 0.07 0.00 0.00 59.98 59.87 1hjz h ARG 67 Cb 0.41 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 1hjz h ARG 67 CO 0.01 0.96 -0.24 0.93 -1.07 0.00 0.00 179.97 180.56 1hjz h GLU 68 N 1.16 0.85 0.01 0.04 5.08 -0.96 -0.22 114.58 120.55 1hjz h GLU 68 Ca 0.27 -0.36 -0.26 0.00 -1.00 0.00 0.00 59.36 58.01 1hjz h GLU 68 Cb 0.21 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 1hjz h GLU 68 CO -0.02 1.00 -1.41 1.96 -1.00 0.00 0.00 179.01 179.54 1hjz h GLN 69 N 0.73 0.01 -0.00 2.33 4.20 -0.68 -3.40 115.11 118.31 1hjz h GLN 69 Ca 0.09 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1hjz h GLN 69 Cb 0.78 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.57 1hjz h GLN 69 CO 0.06 0.73 -0.01 1.19 -0.67 0.00 0.00 178.83 180.13 1hjz n PHE 70 N -3.19 0.00 -1.10 2.96 3.01 0.41 -5.01 117.46 114.54 1hjz n PHE 70 Ca -0.10 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.33 1hjz n PHE 70 Cb 1.01 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 40.46 1hjz n PHE 70 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1hjz n GLY 71 N 0.51 0.60 3.68 1.37 0.00 -0.09 -4.98 105.19 106.28 1hjz n GLY 71 Ca 0.00 -0.27 -0.09 0.00 0.00 0.00 0.00 46.02 45.67 1hjz n GLY 71 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1hjz s ARG 72 N -1.59 1.67 -0.33 1.61 1.70 -1.25 -5.02 118.95 115.74 1hjz s ARG 72 Ca 0.00 -1.20 0.04 0.00 -0.47 0.00 0.00 55.73 54.10 1hjz s ARG 72 Cb 0.00 0.52 0.53 0.00 -0.57 0.00 0.00 34.95 35.43 1hjz s ARG 72 CO 0.00 -0.72 1.69 -0.40 -1.08 0.00 0.00 175.30 174.79 1hjz n ASP 73 N -0.49 3.69 -3.47 -2.89 3.85 -1.26 -3.48 116.55 112.49 1hjz n ASP 73 Ca -0.03 -3.19 -0.11 0.00 -0.71 0.00 0.00 54.79 50.75 1hjz n ASP 73 Cb 0.61 -0.75 -0.02 0.00 -1.35 0.00 0.00 41.12 39.61 1hjz n ASP 73 CO 0.00 0.00 0.00 -0.72 -1.01 0.00 0.00 177.20 175.47 1hjz s TYR 74 N -2.53 -0.49 0.12 2.11 -0.85 -1.26 -4.59 117.35 109.85 1hjz s TYR 74 Ca 0.44 0.26 0.07 0.00 -0.52 0.00 0.00 57.07 57.32 1hjz s TYR 74 Cb 0.37 0.57 -0.04 0.00 0.38 0.00 0.00 41.96 43.24 1hjz s TYR 74 CO 0.09 -0.87 -0.17 0.96 -1.52 0.00 0.00 175.55 174.03 1hjz s ILE 75 N -3.73 1.53 0.30 -3.49 -4.36 -0.78 -5.02 121.20 105.64 1hjz s ILE 75 Ca 0.02 -1.64 0.03 0.00 -0.26 0.00 0.00 60.65 58.80 1hjz s ILE 75 Cb -0.02 -1.53 -0.03 0.00 1.25 0.00 0.00 42.46 42.13 1hjz s ILE 75 CO -0.11 -0.25 0.46 -1.81 0.24 0.00 0.00 174.94 173.48 1hjz s ASP 76 N -2.21 6.30 0.06 4.36 1.01 -1.26 -4.71 116.67 120.22 1hjz s ASP 76 Ca 0.08 0.27 -0.34 0.00 0.71 0.00 0.00 52.55 53.26 1hjz s ASP 76 Cb -0.08 -1.94 -0.13 0.00 1.01 0.00 0.00 42.92 41.78 1hjz s ASP 76 CO 0.04 -0.20 1.67 1.41 0.21 0.00 0.00 175.17 178.31 1hjz n HIS 77 N -1.61 2.25 0.00 4.23 8.25 -1.26 -1.12 115.22 125.95 1hjz n HIS 77 Ca -0.07 0.20 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 1hjz n HIS 77 Cb 0.57 -2.57 0.00 0.00 1.12 0.00 0.00 29.99 29.10 1hjz n HIS 77 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1hjz n GLY 78 N 3.72 1.78 3.77 -1.41 0.00 -1.25 -4.78 105.19 107.01 1hjz n GLY 78 Ca 0.19 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 1hjz n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1hjz s GLU 79 N 0.00 4.70 -0.09 1.61 2.02 -0.27 -4.37 118.70 122.29 1hjz s GLU 79 Ca 0.00 1.40 0.02 0.00 0.02 0.00 0.00 54.97 56.41 1hjz s GLU 79 Cb 0.00 -3.01 0.02 0.00 0.10 0.00 0.00 34.13 31.23 1hjz s GLU 79 CO 0.00 0.38 -0.13 0.08 0.02 0.00 0.00 175.26 175.61 1hjz s VAL 80 N -1.42 1.29 -0.14 2.63 1.01 -1.26 -4.53 120.40 117.98 1hjz s VAL 80 Ca 0.46 -0.53 -0.11 0.00 0.00 0.00 0.00 61.98 61.81 1hjz s VAL 80 Cb -0.22 -1.20 -0.05 0.00 0.00 0.00 0.00 36.38 34.92 1hjz s VAL 80 CO 0.28 0.40 0.21 -0.69 0.00 0.00 0.00 175.10 175.29 1hjz s VAL 81 N 0.98 5.37 -0.17 2.92 1.01 -0.90 -4.90 120.40 124.72 1hjz s VAL 81 Ca -0.08 0.37 -0.04 0.00 0.00 0.00 0.00 61.98 62.23 1hjz s VAL 81 Cb -0.15 -3.52 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 1hjz s VAL 81 CO -0.01 0.50 -0.03 -0.69 0.00 0.00 0.00 175.10 174.88 1hjz s VAL 82 N -0.24 3.90 0.10 2.92 1.01 -1.26 -0.56 120.40 126.28 1hjz s VAL 82 Ca 0.14 -0.35 0.05 0.00 0.00 0.00 0.00 61.98 61.82 1hjz s VAL 82 Cb -0.13 -2.72 -0.03 0.00 0.00 0.00 0.00 36.38 33.50 1hjz s VAL 82 CO 0.03 0.48 -0.12 0.42 0.00 0.00 0.00 175.10 175.91 1hjz s THR 83 N 0.52 1.07 0.30 3.92 -4.23 -0.83 -4.92 115.64 111.46 1hjz s THR 83 Ca -0.03 -1.57 -0.29 0.00 -1.18 0.00 0.00 61.69 58.62 1hjz s THR 83 Cb -0.14 -1.32 -0.10 0.00 1.34 0.00 0.00 72.50 72.28 1hjz s THR 83 CO 0.03 -0.45 1.29 -2.16 -0.54 0.00 0.00 174.62 172.79 1hjz s PRO 84 N -2.50 4.39 0.00 3.99 0.04 -1.26 -1.46 135.00 138.20 1hjz s PRO 84 Ca 0.04 2.14 0.18 0.00 0.04 0.00 0.00 61.00 63.40 1hjz s PRO 84 Cb -0.05 -3.11 0.76 0.00 0.04 0.00 0.00 34.50 32.14 1hjz s PRO 84 CO 0.01 -0.16 1.57 0.00 0.04 0.00 0.00 177.00 178.46 1hjz n ALA 85 N 1.25 1.82 -0.58 8.56 0.00 -0.47 -4.73 120.51 126.36 1hjz n ALA 85 Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1hjz n ALA 85 Cb 0.42 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.58 1hjz n ALA 85 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1hjz n MET 86 N -1.49 0.00 0.13 0.00 2.81 -1.26 -1.64 117.12 115.67 1hjz n MET 86 Ca 0.04 0.00 0.10 0.00 -1.81 0.00 0.00 57.70 56.03 1hjz n MET 86 Cb 0.20 0.00 0.48 0.00 -0.71 0.00 0.00 33.22 33.20 1hjz n MET 86 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1hjz n ASN 87 N 8.36 0.49 0.02 7.83 4.13 -0.59 -1.64 115.26 133.86 1hjz n ASN 87 Ca 0.00 0.70 0.12 0.00 1.68 0.00 0.00 54.58 57.08 1hjz n ASN 87 Cb 0.00 -0.77 0.26 0.00 -1.54 0.00 0.00 39.78 37.72 1hjz n ASN 87 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1hjz n LEU 88 N -2.13 0.52 0.24 3.41 4.77 -0.65 -4.01 117.00 119.15 1hjz n LEU 88 Ca -0.00 0.13 0.17 0.00 -0.03 0.00 0.00 56.01 56.28 1hjz n LEU 88 Cb 0.08 -0.25 0.87 0.00 -2.33 0.00 0.00 43.42 41.79 1hjz n LEU 88 CO 0.11 0.05 1.15 -0.33 -1.33 0.00 0.00 177.39 177.03 1hjz h GLU 89 N 0.00 0.00 -0.34 3.23 5.08 -0.95 0.03 114.58 121.62 1hjz h GLU 89 Ca 0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 1hjz h GLU 89 Cb 0.58 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 1hjz h GLU 89 CO 0.00 0.00 -0.09 1.05 -1.00 0.00 0.00 179.01 178.97 1hjz h GLU 90 N 0.00 0.57 -0.04 2.33 4.11 -1.78 -2.13 114.58 117.63 1hjz h GLU 90 Ca 0.06 -0.16 0.00 0.00 0.07 0.00 0.00 59.36 59.33 1hjz h GLU 90 Cb 0.37 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1hjz h GLU 90 CO -0.00 0.66 0.00 0.54 0.07 0.00 0.00 179.01 180.28 1hjz n ARG 91 N -4.21 1.14 -0.19 1.06 1.74 -0.02 -4.85 116.66 111.33 1hjz n ARG 91 Ca 0.01 -0.21 0.00 0.00 -0.77 0.00 0.00 57.85 56.88 1hjz n ARG 91 Cb 0.32 -1.20 0.00 0.00 -1.02 0.00 0.00 32.46 30.56 1hjz n ARG 91 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1hjz n GLY 92 N 0.74 0.88 3.55 -0.13 0.00 -0.80 -4.78 105.19 104.66 1hjz n GLY 92 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 1hjz n GLY 92 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hjz s ILE 93 N -2.56 4.39 -0.04 -0.61 1.01 -1.13 -4.17 121.20 118.10 1hjz s ILE 93 Ca 0.00 0.55 -0.11 0.00 0.00 0.00 0.00 60.65 61.08 1hjz s ILE 93 Cb 0.00 -4.51 -0.31 0.00 0.01 0.00 0.00 42.46 37.65 1hjz s ILE 93 CO 0.00 -1.01 0.71 0.50 0.00 0.00 0.00 174.94 175.15 1hjz h LYS 94 N 9.23 0.41 -4.75 2.79 3.64 -1.02 -2.69 116.57 124.17 1hjz h LYS 94 Ca -0.25 -0.70 -0.27 0.00 -1.27 0.00 0.00 60.65 58.15 1hjz h LYS 94 Cb 1.07 0.26 -0.15 0.00 -0.41 0.00 0.00 32.23 33.01 1hjz h LYS 94 CO 1.07 1.33 -0.66 0.71 -2.27 0.00 0.00 179.45 179.63 1hjz s TYR 95 N -2.58 1.16 -0.11 1.91 1.51 -0.86 -1.37 117.35 117.01 1hjz s TYR 95 Ca -0.15 -1.04 0.03 0.00 -1.01 0.00 0.00 57.07 54.91 1hjz s TYR 95 Cb 0.05 -0.66 -0.00 0.00 -0.11 0.00 0.00 41.96 41.24 1hjz s TYR 95 CO 0.87 -0.24 -0.22 0.08 -1.11 0.00 0.00 175.55 174.92 1hjz s VAL 96 N -3.70 2.19 -0.37 0.71 1.01 -0.54 -1.96 120.40 117.75 1hjz s VAL 96 Ca 0.24 -0.97 -0.09 0.00 0.00 0.00 0.00 61.98 61.15 1hjz s VAL 96 Cb 0.06 -1.85 0.04 0.00 0.00 0.00 0.00 36.38 34.63 1hjz s VAL 96 CO 0.03 0.55 0.18 -0.36 0.00 0.00 0.00 175.10 175.51 1hjz s PHE 97 N 0.37 3.26 -0.10 5.22 0.40 0.11 -1.96 117.98 125.28 1hjz s PHE 97 Ca -0.17 -1.17 -0.26 0.00 -0.60 0.00 0.00 56.93 54.73 1hjz s PHE 97 Cb -0.18 -2.45 -0.02 0.00 0.51 0.00 0.00 43.02 40.88 1hjz s PHE 97 CO 0.08 -0.70 0.82 -1.01 0.70 0.00 0.00 175.22 175.11 1hjz s HIS 98 N 1.49 3.52 0.15 0.36 3.76 0.28 -0.96 115.29 123.89 1hjz s HIS 98 Ca 0.01 1.34 0.05 0.00 -0.15 0.00 0.00 55.06 56.31 1hjz s HIS 98 Cb -0.20 -2.97 -0.04 0.00 1.11 0.00 0.00 32.58 30.48 1hjz s HIS 98 CO 0.05 -0.09 -0.11 -0.08 -0.85 0.00 0.00 174.74 173.66 1hjz s THR 99 N 1.49 1.27 -0.11 1.30 -1.32 -0.74 -2.11 115.64 115.41 1hjz s THR 99 Ca 0.41 -1.99 0.00 0.00 -1.21 0.00 0.00 61.69 58.90 1hjz s THR 99 Cb -0.18 -1.78 0.02 0.00 -1.51 0.00 0.00 72.50 69.05 1hjz s THR 99 CO 0.17 -0.65 -0.10 0.54 -2.21 0.00 0.00 174.62 172.37 1hjz s VAL 100 N -3.00 1.14 0.49 5.08 0.11 -1.26 -1.10 120.40 121.86 1hjz s VAL 100 Ca 0.15 -0.38 0.03 0.00 -2.93 0.00 0.00 61.98 58.85 1hjz s VAL 100 Cb 0.00 -1.12 0.02 0.00 -1.53 0.00 0.00 36.38 33.76 1hjz s VAL 100 CO 0.02 0.38 0.69 -0.83 -3.33 0.00 0.00 175.10 172.03 1hjz s GLY 101 N 1.47 1.82 0.75 6.54 0.00 -1.26 -4.41 107.32 112.24 1hjz s GLY 101 Ca 0.01 -1.40 -0.11 0.00 0.00 0.00 0.00 44.72 43.22 1hjz s GLY 101 CO -0.06 -1.17 1.10 2.56 0.00 0.00 0.00 173.10 175.53 1hjz s PRO 102 N -4.60 2.47 -0.42 2.90 0.04 -1.26 -4.93 135.00 129.20 1hjz s PRO 102 Ca 0.55 0.55 -0.14 0.00 0.04 0.00 0.00 61.00 62.00 1hjz s PRO 102 Cb -0.10 -1.97 0.03 0.00 0.04 0.00 0.00 34.50 32.50 1hjz s PRO 102 CO 0.36 -1.33 0.30 0.42 0.04 0.00 0.00 177.00 176.80 1hjz s ILE 103 N -3.26 5.15 -0.08 0.56 1.01 -1.26 -4.79 121.20 118.53 1hjz s ILE 103 Ca 0.59 -0.77 -0.06 0.00 0.00 0.00 0.00 60.65 60.42 1hjz s ILE 103 Cb -0.13 -3.91 -0.27 0.00 0.01 0.00 0.00 42.46 38.16 1hjz s ILE 103 CO 0.53 -0.35 0.52 0.00 0.00 0.00 0.00 174.94 175.64 1hjz n SER 105 N -3.47 -2.15 0.00 0.00 7.64 -0.30 -1.45 113.62 113.89 1hjz n SER 105 Ca -0.27 -0.78 0.00 0.00 1.01 0.00 0.00 58.87 58.83 1hjz n SER 105 Cb 1.06 -4.18 0.00 0.00 -1.01 0.00 0.00 64.21 60.08 1hjz n SER 105 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1hjz n GLY 106 N -1.57 1.27 3.93 0.23 0.00 0.09 -5.02 105.19 104.11 1hjz n GLY 106 Ca -0.22 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.60 1hjz n GLY 106 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1hjz s MET 107 N -0.01 2.90 -0.06 1.61 -1.94 -0.53 -4.94 119.30 116.33 1hjz s MET 107 Ca 0.00 -1.18 -0.11 0.00 -1.71 0.00 0.00 55.69 52.69 1hjz s MET 107 Cb 0.00 -2.65 0.02 0.00 2.01 0.00 0.00 34.83 34.22 1hjz s MET 107 CO 0.00 0.04 0.28 -0.46 -0.01 0.00 0.00 175.02 174.87 1hjz s TRP 108 N -2.26 -0.23 0.25 -0.03 -0.11 -1.26 -4.73 118.94 110.57 1hjz s TRP 108 Ca 0.44 0.50 -0.22 0.00 1.22 0.00 0.00 56.10 58.05 1hjz s TRP 108 Cb -0.08 0.09 0.03 0.00 -1.50 0.00 0.00 33.47 32.01 1hjz s TRP 108 CO 0.29 -0.25 0.79 -1.54 -4.62 0.00 0.00 176.95 171.62 1hjz s SER 109 N -0.54 -0.22 0.29 5.86 1.04 -1.26 -5.00 113.70 113.87 1hjz s SER 109 Ca -0.06 -0.60 0.04 0.00 0.48 0.00 0.00 55.95 55.81 1hjz s SER 109 Cb -0.04 0.67 0.43 0.00 0.10 0.00 0.00 66.02 67.19 1hjz s SER 109 CO 0.02 -1.26 1.72 -0.08 0.98 0.00 0.00 173.24 174.62 1hjz h GLU 110 N 2.00 0.42 -0.40 4.02 4.57 -2.02 -0.61 114.58 122.55 1hjz h GLU 110 Ca -0.21 -0.16 -0.13 0.00 -1.18 0.00 0.00 59.36 57.68 1hjz h GLU 110 Cb 1.24 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.80 1hjz h GLU 110 CO 0.25 0.67 -0.25 0.93 -1.18 0.00 0.00 179.01 179.43 1hjz h GLU 111 N 0.37 0.88 -0.52 1.92 5.08 -1.99 -0.59 114.58 119.73 1hjz h GLU 111 Ca 0.05 -0.41 -0.07 0.00 -1.00 0.00 0.00 59.36 57.93 1hjz h GLU 111 Cb 0.70 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 1hjz h GLU 111 CO 0.05 1.06 0.04 -0.07 -1.00 0.00 0.00 179.01 179.09 1hjz h LEU 112 N 0.70 0.87 -0.59 1.33 3.38 -1.89 -2.12 115.31 116.98 1hjz h LEU 112 Ca 0.08 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1hjz h LEU 112 Cb 0.82 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 1hjz h LEU 112 CO 0.07 0.94 0.38 0.50 0.09 0.00 0.00 178.44 180.42 1hjz h LYS 113 N 0.77 0.79 -0.63 1.13 3.64 -0.97 -1.62 116.57 119.68 1hjz h LYS 113 Ca 0.15 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1hjz h LYS 113 Cb 0.47 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.09 1hjz h LYS 113 CO 0.02 0.54 0.36 1.49 -2.27 0.00 0.00 179.45 179.59 1hjz h GLU 114 N 0.80 0.88 -0.73 1.90 4.81 -0.90 0.17 114.58 121.51 1hjz h GLU 114 Ca 0.22 -0.10 -0.04 0.00 -0.13 0.00 0.00 59.36 59.31 1hjz h GLU 114 Cb -0.06 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.11 1hjz h GLU 114 CO -0.04 0.66 0.29 0.87 -0.73 0.00 0.00 179.01 180.06 1hjz h LYS 115 N 0.86 1.10 -0.39 1.92 1.57 -1.06 -1.36 116.57 119.20 1hjz h LYS 115 Ca 0.22 -0.20 -0.15 0.00 -1.87 0.00 0.00 60.65 58.66 1hjz h LYS 115 Cb 0.03 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 1hjz h LYS 115 CO -0.04 0.90 -0.34 1.25 -0.57 0.00 0.00 179.45 180.65 1hjz h LEU 116 N 1.05 0.94 -0.33 2.94 5.85 -0.93 -2.23 115.31 122.59 1hjz h LEU 116 Ca 0.24 -0.40 0.04 0.00 0.84 0.00 0.00 57.88 58.60 1hjz h LEU 116 Cb 0.21 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 1hjz h LEU 116 CO -0.02 1.18 0.11 0.22 -0.34 0.00 0.00 178.44 179.59 1hjz h TYR 117 N 0.74 0.20 -0.73 1.25 3.20 -0.29 -1.57 116.97 119.77 1hjz h TYR 117 Ca 0.07 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.94 1hjz h TYR 117 Cb 0.91 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 39.11 1hjz h TYR 117 CO 0.06 0.08 0.39 0.87 -1.64 0.00 0.00 178.16 177.91 1hjz h LYS 118 N 0.25 1.01 0.00 1.82 1.57 -1.15 0.17 116.57 120.24 1hjz h LYS 118 Ca 0.15 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 1hjz h LYS 118 Cb 0.13 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.23 1hjz h LYS 118 CO -0.16 0.75 -0.13 0.00 -0.57 0.00 0.00 179.45 179.33 1hjz h ALA 119 N 1.41 1.33 0.11 3.86 0.00 -0.68 0.37 119.26 125.67 1hjz h ALA 119 Ca 0.26 -0.12 -0.36 0.00 0.00 0.00 0.00 54.91 54.69 1hjz h ALA 119 Cb 0.04 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1hjz h ALA 119 CO -0.04 0.17 -1.97 1.19 0.00 0.00 0.00 179.25 178.60 1hjz n PHE 120 N -3.73 1.20 -0.05 0.00 3.72 -0.77 -4.35 117.46 113.47 1hjz n PHE 120 Ca -0.02 0.27 -0.09 0.00 -0.05 0.00 0.00 57.45 57.56 1hjz n PHE 120 Cb 0.25 -1.15 0.07 0.00 -0.94 0.00 0.00 39.48 37.70 1hjz n PHE 120 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 1hjz h LEU 121 N -0.02 0.74 -0.23 4.37 5.85 -0.84 -3.28 115.31 121.90 1hjz h LEU 121 Ca -0.43 -0.32 0.06 0.00 0.84 0.00 0.00 57.88 58.03 1hjz h LEU 121 Cb 1.98 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 42.73 1hjz h LEU 121 CO 0.06 1.04 -0.25 1.23 -0.34 0.00 0.00 178.44 180.18 1hjz h GLY 122 N 0.96 -0.19 1.35 3.75 0.00 -1.12 -1.42 103.07 106.41 1hjz h GLY 122 Ca 0.05 0.31 0.02 0.00 0.00 0.00 0.00 47.33 47.71 1hjz h GLY 122 CO 0.08 -0.20 0.41 -2.55 0.00 0.00 0.00 176.54 174.28 1hjz h PRO 123 N -0.26 0.76 -0.39 4.80 0.11 -1.76 -0.57 132.00 134.70 1hjz h PRO 123 Ca 0.13 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.17 1hjz h PRO 123 Cb 0.47 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.39 1hjz h PRO 123 CO -0.38 0.51 0.13 -0.07 -0.21 0.00 0.00 178.00 177.98 1hjz h LEU 124 N 0.79 0.55 -1.03 2.35 3.38 -1.43 -1.20 115.31 118.72 1hjz h LEU 124 Ca 0.23 -0.19 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 1hjz h LEU 124 Cb -0.02 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1hjz h LEU 124 CO -0.06 0.60 -0.16 -0.33 0.09 0.00 0.00 178.44 178.58 1hjz h GLU 125 N 0.48 0.51 -0.57 1.13 5.08 -0.62 -1.39 114.58 119.20 1hjz h GLU 125 Ca 0.13 -0.16 -0.10 0.00 -1.00 0.00 0.00 59.36 58.22 1hjz h GLU 125 Cb 0.23 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1hjz h GLU 125 CO -0.01 0.65 -0.04 -0.22 -1.00 0.00 0.00 179.01 178.40 1hjz h LYS 126 N 0.47 1.04 -0.33 2.33 1.63 -0.85 -0.47 116.57 120.39 1hjz h LYS 126 Ca 0.08 -0.35 -0.01 0.00 -0.85 0.00 0.00 60.65 59.52 1hjz h LYS 126 Cb 0.54 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 32.08 1hjz h LYS 126 CO 0.03 1.04 0.18 0.00 -3.45 0.00 0.00 179.45 177.26 1hjz h ALA 127 N 0.96 0.43 -0.45 5.00 0.00 -0.82 -0.81 119.26 123.57 1hjz h ALA 127 Ca 0.16 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1hjz h ALA 127 Cb 0.60 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1hjz h ALA 127 CO 0.04 -0.04 0.26 1.49 0.00 0.00 0.00 179.25 181.00 1hjz h GLU 128 N 0.41 0.51 -0.95 0.00 4.57 -1.03 0.37 114.58 118.46 1hjz h GLU 128 Ca 0.12 -0.03 0.02 0.00 -1.18 0.00 0.00 59.36 58.29 1hjz h GLU 128 Cb 0.07 -0.11 -0.05 0.00 -0.16 0.00 0.00 28.75 28.49 1hjz h GLU 128 CO -0.02 0.33 0.63 1.49 -1.18 0.00 0.00 179.01 180.26 1hjz h GLU 129 N 0.52 1.21 -0.01 1.92 4.81 -0.70 -1.99 114.58 120.34 1hjz h GLU 129 Ca 0.18 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1hjz h GLU 129 Cb 0.02 -0.27 0.00 0.00 0.63 0.00 0.00 28.75 29.13 1hjz h GLU 129 CO -0.09 0.80 -0.17 -1.33 -0.73 0.00 0.00 179.01 177.49 1hjz n MET 130 N -4.45 1.00 -1.16 1.92 2.81 -0.34 -4.93 117.12 111.96 1hjz n MET 130 Ca 0.12 -0.54 -0.06 0.00 -1.81 0.00 0.00 57.70 55.41 1hjz n MET 130 Cb 0.06 -1.49 -0.02 0.00 -0.71 0.00 0.00 33.22 31.05 1hjz n MET 130 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1hjz n GLY 131 N 1.29 0.81 3.65 3.03 0.00 0.94 -4.97 105.19 109.93 1hjz n GLY 131 Ca 0.14 -0.73 -0.43 0.00 0.00 0.00 0.00 46.02 45.01 1hjz n GLY 131 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hjz s VAL 132 N -2.19 3.94 0.23 1.61 1.01 0.85 -4.90 120.40 120.95 1hjz s VAL 132 Ca 0.00 1.10 0.05 0.00 0.00 0.00 0.00 61.98 63.13 1hjz s VAL 132 Cb 0.00 -3.82 -0.06 0.00 0.00 0.00 0.00 36.38 32.49 1hjz s VAL 132 CO 0.00 -0.23 1.53 1.05 0.00 0.00 0.00 175.10 177.46 1hjz h GLU 133 N 9.42 0.17 -5.66 2.72 4.11 -1.86 -3.36 114.58 120.11 1hjz h GLU 133 Ca -0.31 -0.13 -0.52 0.00 0.07 0.00 0.00 59.36 58.47 1hjz h GLU 133 Cb 1.13 0.03 -0.26 0.00 0.50 0.00 0.00 28.75 30.15 1hjz h GLU 133 CO 0.99 0.77 -0.82 -1.54 0.07 0.00 0.00 179.01 178.48 1hjz s SER 134 N -6.89 2.03 -0.15 3.06 1.04 -1.26 -1.26 113.70 110.28 1hjz s SER 134 Ca -0.03 -0.44 -0.13 0.00 0.48 0.00 0.00 55.95 55.82 1hjz s SER 134 Cb 0.12 -0.17 0.04 0.00 0.10 0.00 0.00 66.02 66.11 1hjz s SER 134 CO 0.80 0.12 0.40 -0.51 0.98 0.00 0.00 173.24 175.03 1hjz s ILE 135 N -0.71 -0.00 -0.02 -1.02 2.07 -0.68 -2.42 121.20 118.41 1hjz s ILE 135 Ca 0.05 0.01 0.08 0.00 -1.41 0.00 0.00 60.65 59.37 1hjz s ILE 135 Cb -0.08 -0.56 -0.02 0.00 0.13 0.00 0.00 42.46 41.93 1hjz s ILE 135 CO 0.01 0.00 -0.25 0.00 -1.91 0.00 0.00 174.94 172.79 1hjz s ALA 136 N 0.30 2.09 0.15 1.50 0.00 -0.45 -1.52 121.76 123.82 1hjz s ALA 136 Ca -0.01 -1.08 0.10 0.00 0.00 0.00 0.00 51.96 50.98 1hjz s ALA 136 Cb -0.03 -0.54 -0.04 0.00 0.00 0.00 0.00 23.12 22.51 1hjz s ALA 136 CO -0.00 0.51 -0.23 -0.06 0.00 0.00 0.00 175.76 175.98 1hjz s PHE 137 N -0.57 2.39 0.47 0.00 0.08 0.13 -0.07 117.98 120.40 1hjz s PHE 137 Ca 0.09 -0.33 0.08 0.00 0.12 0.00 0.00 56.93 56.89 1hjz s PHE 137 Cb -0.10 -1.25 0.03 0.00 -0.57 0.00 0.00 43.02 41.13 1hjz s PHE 137 CO -0.01 0.40 0.60 -1.25 -0.10 0.00 0.00 175.22 174.87 1hjz s PRO 138 N -2.29 2.62 -1.24 0.24 0.04 -1.26 0.04 135.00 133.16 1hjz s PRO 138 Ca 0.17 -1.42 -0.18 0.00 0.04 0.00 0.00 61.00 59.61 1hjz s PRO 138 Cb -0.10 -2.65 0.08 0.00 0.04 0.00 0.00 34.50 31.87 1hjz s PRO 138 CO 0.09 -0.44 1.64 0.00 0.04 0.00 0.00 177.00 178.32 1hjz s ALA 139 N -2.47 3.33 0.19 8.56 0.00 -1.26 -4.87 121.76 125.25 1hjz s ALA 139 Ca 0.55 -2.89 -0.32 0.00 0.00 0.00 0.00 51.96 49.30 1hjz s ALA 139 Cb -0.08 -4.54 -0.15 0.00 0.00 0.00 0.00 23.12 18.35 1hjz s ALA 139 CO 0.34 -3.26 1.21 0.28 0.00 0.00 0.00 175.76 174.33 1hjz n VAL 140 N 6.18 0.97 -0.50 0.00 0.31 -1.26 -1.60 118.33 122.44 1hjz n VAL 140 Ca 0.44 -0.24 0.00 0.00 -0.01 0.00 0.00 64.34 64.53 1hjz n VAL 140 Cb 0.46 -1.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.40 1hjz n VAL 140 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1hjz n SER 141 N 2.00 0.00 -0.23 4.52 7.64 -1.26 -4.80 113.62 121.49 1hjz n SER 141 Ca 0.14 0.00 0.14 0.00 1.01 0.00 0.00 58.87 60.16 1hjz n SER 141 Cb 0.27 -1.03 0.65 0.00 -1.01 0.00 0.00 64.21 63.08 1hjz n SER 141 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1hjz n ALA 142 N 0.82 2.70 -1.34 -0.43 0.00 -0.62 -0.99 120.51 120.65 1hjz n ALA 142 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1hjz n ALA 142 Cb 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.15 1hjz n ALA 142 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hjz n GLY 143 N 1.17 0.82 0.19 0.00 0.00 -1.26 -4.68 105.19 101.44 1hjz n GLY 143 Ca 0.18 -0.20 0.14 0.00 0.00 0.00 0.00 46.02 46.14 1hjz n GLY 143 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1hjz h ILE 144 N 0.00 0.00 0.00 -0.61 2.10 -1.99 -1.63 117.51 115.39 1hjz h ILE 144 Ca 0.00 -0.12 0.00 0.00 1.08 0.00 0.00 64.86 65.82 1hjz h ILE 144 Cb 0.00 0.80 0.00 0.00 -1.09 0.00 0.00 36.82 36.53 1hjz h ILE 144 CO 0.00 0.00 0.00 -1.22 -1.08 0.00 0.00 178.15 175.85 1hjz n TYR 145 N -2.45 0.00 -2.82 2.19 4.01 -1.26 -4.87 117.16 111.97 1hjz n TYR 145 Ca -0.00 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.52 1hjz n TYR 145 Cb 0.13 -0.39 0.02 0.00 -0.31 0.00 0.00 39.34 38.79 1hjz n TYR 145 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1hjz n GLY 146 N 0.31 -0.49 3.76 2.72 0.00 -0.61 -0.91 105.19 109.97 1hjz n GLY 146 Ca 0.07 0.07 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 1hjz n GLY 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hjz n ASP 148 N 2.92 2.49 -0.24 0.00 -0.08 -1.26 -4.30 116.55 116.07 1hjz n ASP 148 Ca -0.08 1.07 0.03 0.00 -1.51 0.00 0.00 54.79 54.30 1hjz n ASP 148 Cb 0.51 -1.25 0.16 0.00 2.34 0.00 0.00 41.12 42.88 1hjz n ASP 148 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 1hjz h LEU 149 N 6.57 0.30 -0.68 -2.67 5.85 -1.94 0.34 115.31 123.08 1hjz h LEU 149 Ca -0.47 0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.37 1hjz h LEU 149 Cb 1.30 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 42.35 1hjz h LEU 149 CO 0.89 0.14 0.43 -0.08 -0.34 0.00 0.00 178.44 179.48 1hjz h GLU 150 N 0.46 0.82 -0.36 1.25 4.81 -1.92 -0.12 114.58 119.52 1hjz h GLU 150 Ca 0.37 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.46 1hjz h GLU 150 Cb 0.51 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 1hjz h GLU 150 CO -0.35 0.54 -0.18 0.87 -0.73 0.00 0.00 179.01 179.16 1hjz h LYS 151 N 0.84 0.66 -0.15 1.92 1.79 -1.64 -1.89 116.57 118.10 1hjz h LYS 151 Ca 0.27 -0.23 -0.02 0.00 -2.18 0.00 0.00 60.65 58.49 1hjz h LYS 151 Cb -0.00 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.60 1hjz h LYS 151 CO -0.10 0.80 0.03 0.28 -1.08 0.00 0.00 179.45 179.38 1hjz h VAL 152 N 0.59 1.22 -0.60 0.50 2.07 -0.18 -1.83 116.25 118.01 1hjz h VAL 152 Ca 0.09 -0.69 -0.05 0.00 0.82 0.00 0.00 66.70 66.87 1hjz h VAL 152 Cb 0.63 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.76 1hjz h VAL 152 CO 0.04 0.21 0.17 0.58 0.02 0.00 0.00 177.57 178.59 1hjz h VAL 153 N 0.04 1.23 -0.57 2.57 2.07 -0.95 -0.53 116.25 120.11 1hjz h VAL 153 Ca 0.05 -0.83 -0.02 0.00 0.82 0.00 0.00 66.70 66.71 1hjz h VAL 153 Cb 0.29 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 1hjz h VAL 153 CO 0.00 0.32 0.28 -0.33 0.02 0.00 0.00 177.57 177.86 1hjz h GLU 154 N 0.89 0.82 -0.52 1.57 5.08 -1.24 -0.94 114.58 120.24 1hjz h GLU 154 Ca 0.20 -0.12 -0.08 0.00 -1.00 0.00 0.00 59.36 58.36 1hjz h GLU 154 Cb 0.29 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 1hjz h GLU 154 CO -0.00 0.67 0.01 1.15 -1.00 0.00 0.00 179.01 179.84 1hjz h THR 155 N 0.78 1.26 -0.42 1.13 2.02 -0.93 -1.79 112.91 114.96 1hjz h THR 155 Ca 0.20 -1.07 0.04 0.00 0.77 0.00 0.00 66.41 66.34 1hjz h THR 155 Cb 0.12 0.92 -0.04 0.00 -1.74 0.00 0.00 68.15 67.41 1hjz h THR 155 CO -0.03 0.38 0.20 0.15 0.37 0.00 0.00 175.52 176.59 1hjz h PHE 156 N 0.78 0.36 -0.60 3.16 3.57 -0.80 -1.64 116.94 121.77 1hjz h PHE 156 Ca 0.15 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 1hjz h PHE 156 Cb 0.51 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.11 1hjz h PHE 156 CO 0.04 0.18 0.29 -0.07 -2.23 0.00 0.00 178.31 176.52 1hjz h LEU 157 N 0.40 0.77 -0.79 0.59 3.38 -0.91 -1.51 115.31 117.23 1hjz h LEU 157 Ca 0.18 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 1hjz h LEU 157 Cb 0.11 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1hjz h LEU 157 CO -0.14 0.65 0.23 -0.33 0.09 0.00 0.00 178.44 178.95 1hjz h GLU 158 N 0.85 1.14 -0.32 1.13 5.08 -0.65 -1.15 114.58 120.65 1hjz h GLU 158 Ca 0.21 -0.24 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 1hjz h GLU 158 Cb 0.09 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1hjz h GLU 158 CO -0.03 0.96 0.06 0.00 -1.00 0.00 0.00 179.01 179.00 1hjz h ALA 159 N 1.16 0.43 -0.51 3.43 0.00 -0.59 -1.09 119.26 122.08 1hjz h ALA 159 Ca 0.24 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1hjz h ALA 159 Cb 0.30 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1hjz h ALA 159 CO -0.01 0.12 0.25 0.28 0.00 0.00 0.00 179.25 179.89 1hjz h VAL 160 N 0.36 1.19 -0.53 0.00 2.07 -1.09 -0.34 116.25 117.92 1hjz h VAL 160 Ca 0.10 -0.54 -0.07 0.00 0.82 0.00 0.00 66.70 67.01 1hjz h VAL 160 Cb 0.33 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 1hjz h VAL 160 CO 0.00 0.21 0.05 0.11 0.02 0.00 0.00 177.57 177.97 1hjz h LYS 161 N 0.68 0.85 0.00 1.57 1.57 -1.11 -2.91 116.57 117.22 1hjz h LYS 161 Ca 0.18 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1hjz h LYS 161 Cb 0.11 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1hjz h LYS 161 CO -0.02 0.82 -0.26 -0.91 -0.57 0.00 0.00 179.45 178.51 1hjz h ASN 162 N 0.80 0.00 -3.03 0.86 2.35 -0.99 -3.46 115.58 112.10 1hjz h ASN 162 Ca 0.16 -0.02 -0.55 0.00 -0.55 0.00 0.00 56.30 55.34 1hjz h ASN 162 Cb 0.41 0.00 0.08 0.00 0.05 0.00 0.00 38.32 38.86 1hjz h ASN 162 CO 0.01 0.01 0.80 0.33 -1.65 0.00 0.00 177.43 176.93 1hjz n PHE 163 N -2.72 2.61 -3.98 1.19 7.35 -0.15 -4.99 117.46 116.77 1hjz n PHE 163 Ca 0.04 0.30 -0.31 0.00 -0.76 0.00 0.00 57.45 56.72 1hjz n PHE 163 Cb 0.50 -2.55 -0.16 0.00 0.35 0.00 0.00 39.48 37.62 1hjz n PHE 163 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 1hjz s LYS 164 N -0.38 1.86 0.27 -4.13 1.02 -1.26 -5.03 119.74 112.10 1hjz s LYS 164 Ca 0.66 -1.02 -0.15 0.00 0.02 0.00 0.00 55.97 55.48 1hjz s LYS 164 Cb -0.55 -2.60 0.06 0.00 -0.52 0.00 0.00 37.83 34.21 1hjz s LYS 164 CO 0.48 -0.55 0.75 0.41 -0.92 0.00 0.00 175.35 175.53 1hjz n GLY 165 N 4.63 0.97 0.00 -3.33 0.00 -1.26 -5.07 105.19 101.13 1hjz n GLY 165 Ca -0.13 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.70 1hjz n GLY 165 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1hjz n SER 166 N -1.36 1.47 0.02 1.61 3.41 -1.26 -4.85 113.62 112.65 1hjz n SER 166 Ca -0.06 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.37 1hjz n SER 166 Cb 0.51 0.21 -0.10 0.00 -0.26 0.00 0.00 64.21 64.56 1hjz n SER 166 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1hjz h ALA 167 N 0.00 0.15 -2.19 7.33 0.00 -1.92 -3.43 119.26 119.20 1hjz h ALA 167 Ca 0.00 -0.64 -0.56 0.00 0.00 0.00 0.00 54.91 53.70 1hjz h ALA 167 Cb 0.17 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1hjz h ALA 167 CO 0.00 0.60 0.83 0.08 0.00 0.00 0.00 179.25 180.76 1hjz s VAL 168 N -3.40 4.33 0.00 0.00 1.01 -1.26 -4.14 120.40 116.94 1hjz s VAL 168 Ca -0.11 1.62 0.00 0.00 0.00 0.00 0.00 61.98 63.50 1hjz s VAL 168 Cb 0.06 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.40 1hjz s VAL 168 CO 0.89 -0.10 0.00 0.29 0.00 0.00 0.00 175.10 176.18 1hjz n LYS 169 N 6.17 3.93 -4.03 2.72 5.02 -0.39 -4.66 118.16 126.93 1hjz n LYS 169 Ca 0.13 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.20 1hjz n LYS 169 Cb 0.45 -0.55 -0.17 0.00 -0.02 0.00 0.00 35.03 34.75 1hjz n LYS 169 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1hjz s GLU 170 N -1.01 0.92 -0.02 1.97 2.02 -0.72 -0.43 118.70 121.43 1hjz s GLU 170 Ca 0.00 -0.08 0.02 0.00 0.02 0.00 0.00 54.97 54.93 1hjz s GLU 170 Cb 0.00 -1.02 0.00 0.00 0.10 0.00 0.00 34.13 33.21 1hjz s GLU 170 CO 0.00 -0.17 -0.08 0.08 0.02 0.00 0.00 175.26 175.11 1hjz s VAL 171 N 1.34 0.69 0.03 2.63 1.01 -0.77 -1.69 120.40 123.65 1hjz s VAL 171 Ca -0.04 -0.32 0.02 0.00 0.00 0.00 0.00 61.98 61.64 1hjz s VAL 171 Cb -0.14 -0.62 -0.02 0.00 0.00 0.00 0.00 36.38 35.61 1hjz s VAL 171 CO -0.03 0.22 -0.07 0.00 0.00 0.00 0.00 175.10 175.23 1hjz s ALA 172 N 0.14 0.50 -0.21 5.51 0.00 -0.58 -1.25 121.76 125.87 1hjz s ALA 172 Ca -0.02 -0.60 -0.04 0.00 0.00 0.00 0.00 51.96 51.30 1hjz s ALA 172 Cb -0.07 0.01 -0.01 0.00 0.00 0.00 0.00 23.12 23.05 1hjz s ALA 172 CO 0.00 0.00 -0.04 -1.17 0.00 0.00 0.00 175.76 174.56 1hjz s LEU 173 N -1.17 2.95 -0.19 0.00 2.96 -0.13 0.18 118.68 123.29 1hjz s LEU 173 Ca -0.07 -0.35 -0.03 0.00 -0.22 0.00 0.00 54.13 53.46 1hjz s LEU 173 Cb -0.08 -1.75 -0.01 0.00 0.50 0.00 0.00 46.19 44.85 1hjz s LEU 173 CO 0.00 0.00 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.28 1hjz s VAL 174 N 1.35 3.34 -0.09 1.68 1.01 0.11 -0.99 120.40 126.80 1hjz s VAL 174 Ca 0.04 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.53 1hjz s VAL 174 Cb -0.14 -2.48 -0.01 0.00 0.00 0.00 0.00 36.38 33.75 1hjz s VAL 174 CO -0.02 0.46 -0.21 -0.63 0.00 0.00 0.00 175.10 174.71 1hjz s ILE 175 N 1.02 2.41 -0.05 2.22 -1.09 -0.29 -4.26 121.20 121.16 1hjz s ILE 175 Ca 0.00 -0.91 -0.21 0.00 -2.23 0.00 0.00 60.65 57.30 1hjz s ILE 175 Cb -0.15 -1.94 -0.15 0.00 -1.58 0.00 0.00 42.46 38.65 1hjz s ILE 175 CO -0.00 0.56 0.87 0.22 -1.23 0.00 0.00 174.94 175.35 1hjz h TYR 176 N 6.41 -0.24 -3.35 3.97 3.20 -1.87 0.54 116.97 125.64 1hjz h TYR 176 Ca -0.27 -0.01 -0.56 0.00 3.14 0.00 0.00 58.73 61.04 1hjz h TYR 176 Cb 1.21 0.08 -0.04 0.00 1.54 0.00 0.00 36.73 39.52 1hjz h TYR 176 CO 0.47 0.16 0.05 0.16 -1.64 0.00 0.00 178.16 177.36 1hjz s ASP 177 N -5.39 7.19 0.24 -2.11 3.84 -1.26 -4.14 116.67 115.03 1hjz s ASP 177 Ca -0.12 1.41 -0.06 0.00 -0.00 0.00 0.00 52.55 53.78 1hjz s ASP 177 Cb 0.01 -2.41 0.31 0.00 -1.38 0.00 0.00 42.92 39.44 1hjz s ASP 177 CO 0.45 0.24 1.88 -0.09 -0.00 0.00 0.00 175.17 177.65 1hjz h ARG 178 N 4.51 1.07 -0.25 2.11 2.43 -1.98 -0.20 114.38 122.07 1hjz h ARG 178 Ca -0.48 -0.06 0.05 0.00 -0.81 0.00 0.00 59.98 58.67 1hjz h ARG 178 Cb 1.21 -0.24 -0.04 0.00 -0.42 0.00 0.00 29.97 30.48 1hjz h ARG 178 CO 0.65 0.70 -0.04 -0.22 -1.51 0.00 0.00 179.97 179.55 1hjz h LYS 179 N 1.10 0.02 -0.17 0.20 3.64 -2.00 0.68 116.57 120.05 1hjz h LYS 179 Ca 0.37 -0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.62 1hjz h LYS 179 Cb 0.07 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 1hjz h LYS 179 CO -0.14 0.01 -0.46 0.77 -2.27 0.00 0.00 179.45 177.37 1hjz h SER 180 N 0.02 0.45 -0.25 4.20 0.02 -1.90 -2.88 113.55 113.21 1hjz h SER 180 Ca 0.12 -0.21 -0.03 0.00 -0.84 0.00 0.00 61.79 60.83 1hjz h SER 180 Cb 0.17 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 1hjz h SER 180 CO -0.24 0.85 0.07 0.00 -1.14 0.00 0.00 176.83 176.37 1hjz h ALA 181 N 1.17 1.50 -0.47 3.77 0.00 -0.18 -2.06 119.26 123.00 1hjz h ALA 181 Ca 0.02 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.65 1hjz h ALA 181 Cb 0.94 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1hjz h ALA 181 CO 0.08 0.37 -0.23 0.93 0.00 0.00 0.00 179.25 180.40 1hjz h GLU 182 N 0.48 0.97 -0.44 0.00 5.08 -0.69 -1.25 114.58 118.74 1hjz h GLU 182 Ca 0.11 -0.42 -0.00 0.00 -1.00 0.00 0.00 59.36 58.05 1hjz h GLU 182 Cb 0.21 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1hjz h GLU 182 CO -0.00 1.09 0.27 0.28 -1.00 0.00 0.00 179.01 179.65 1hjz h VAL 183 N 0.83 1.14 -0.54 3.13 2.07 -1.28 -2.01 116.25 119.59 1hjz h VAL 183 Ca 0.10 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 1hjz h VAL 183 Cb 0.81 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 1hjz h VAL 183 CO 0.07 0.14 0.26 0.00 0.02 0.00 0.00 177.57 178.06 1hjz h ALA 184 N 1.13 0.69 -0.51 1.67 0.00 -1.22 -2.82 119.26 118.20 1hjz h ALA 184 Ca 0.16 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.99 1hjz h ALA 184 Cb -0.01 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 1hjz h ALA 184 CO -0.03 0.25 0.26 1.25 0.00 0.00 0.00 179.25 180.99 1hjz h LEU 185 N 0.72 0.39 -1.04 0.00 5.85 -0.93 -0.65 115.31 119.65 1hjz h LEU 185 Ca 0.19 0.03 0.14 0.00 0.84 0.00 0.00 57.88 59.07 1hjz h LEU 185 Cb 0.12 -0.05 -0.09 0.00 0.37 0.00 0.00 40.66 41.01 1hjz h LEU 185 CO -0.02 0.27 0.62 0.50 -0.34 0.00 0.00 178.44 179.47 1hjz h LYS 186 N 0.52 0.88 -0.20 1.25 3.64 -1.13 -0.78 116.57 120.75 1hjz h LYS 186 Ca 0.22 -0.05 -0.19 0.00 -1.27 0.00 0.00 60.65 59.36 1hjz h LYS 186 Cb 0.12 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 1hjz h LYS 186 CO -0.15 0.58 -0.64 0.28 -2.27 0.00 0.00 179.45 177.26 1hjz h VAL 187 N 0.91 1.30 0.66 2.00 2.07 -1.06 -2.55 116.25 119.58 1hjz h VAL 187 Ca 0.51 -1.87 -0.03 0.00 0.82 0.00 0.00 66.70 66.13 1hjz h VAL 187 Cb 0.62 1.83 0.01 0.00 -1.52 0.00 0.00 31.29 32.22 1hjz h VAL 187 CO -0.29 0.59 -0.32 -0.26 0.02 0.00 0.00 177.57 177.32 1hjz h PHE 188 N 0.52 -0.83 -0.19 1.57 0.05 0.21 -0.40 116.94 117.87 1hjz h PHE 188 Ca -0.01 -0.02 -0.01 0.00 3.82 0.00 0.00 57.97 61.75 1hjz h PHE 188 Cb 1.23 0.27 -0.01 0.00 2.00 0.00 0.00 35.95 39.44 1hjz h PHE 188 CO 0.07 -0.49 0.07 0.93 -0.18 0.00 0.00 178.31 178.70 1hjz h GLU 189 N -0.97 0.25 0.00 1.51 5.08 -1.36 0.67 114.58 119.77 1hjz h GLU 189 Ca -0.09 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1hjz h GLU 189 Cb 0.71 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1hjz h GLU 189 CO 0.15 0.22 0.00 -0.09 -1.00 0.00 0.00 179.01 178.29 1hjz h ARG 190 N 0.26 0.00 -0.00 2.33 2.43 -1.32 -3.30 114.38 114.78 1hjz h ARG 190 Ca 0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1hjz h ARG 190 Cb 0.06 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 1hjz h ARG 190 CO -0.01 0.00 -0.16 0.43 -1.51 0.00 0.00 179.97 178.73 1hjz n SER 191 N -2.70 0.36 0.00 -3.80 7.64 -0.17 -5.06 113.62 109.89 1hjz n SER 191 Ca 0.04 -0.68 0.00 0.00 1.01 0.00 0.00 58.87 59.24 1hjz n SER 191 Cb 0.47 0.85 0.00 0.00 -1.01 0.00 0.00 64.21 64.52 1hjz n SER 191 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21