#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qgb s LYS 18 N 0.00 2.11 0.56 1.43 -0.14 -1.26 -5.13 119.74 117.31 1qgb s LYS 18 Ca 0.00 -1.22 -0.06 0.00 -1.36 0.00 0.00 55.97 53.33 1qgb s LYS 18 Cb 0.00 -2.20 0.10 0.00 -1.68 0.00 0.00 37.83 34.05 1qgb s LYS 18 CO 0.00 0.45 0.23 -2.30 -0.76 0.00 0.00 175.35 172.96 1qgb n PRO 19 N 0.10 -0.46 0.00 -1.68 -0.02 -1.26 -4.85 135.00 126.84 1qgb n PRO 19 Ca -0.11 -0.38 0.00 0.00 -2.02 0.00 0.00 63.50 60.99 1qgb n PRO 19 Cb 0.55 -0.85 0.00 0.00 -0.02 0.00 0.00 33.50 33.18 1qgb n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qgb n GLY 20 N -0.46 -1.23 2.78 -1.23 0.00 -1.26 -4.88 105.19 98.90 1qgb n GLY 20 Ca 0.04 -1.83 -0.16 0.00 0.00 0.00 0.00 46.02 44.07 1qgb n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qgb s TYR 22 N 2.13 2.37 0.00 0.00 5.04 -1.26 -4.22 117.35 121.40 1qgb s TYR 22 Ca 0.11 1.51 0.00 0.00 -2.44 0.00 0.00 57.07 56.26 1qgb s TYR 22 Cb -0.14 -3.50 0.00 0.00 0.35 0.00 0.00 41.96 38.67 1qgb s TYR 22 CO -0.25 -2.26 0.00 -0.40 -1.34 0.00 0.00 175.55 171.30 1qgb n ASP 23 N -1.61 0.61 -0.24 4.32 5.75 -0.26 -4.97 116.55 120.15 1qgb n ASP 23 Ca 0.14 0.00 0.18 0.00 -0.01 0.00 0.00 54.79 55.09 1qgb n ASP 23 Cb 0.50 0.00 0.33 0.00 -1.03 0.00 0.00 41.12 40.91 1qgb n ASP 23 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1qgb n ASN 24 N 0.00 0.10 -0.93 -1.12 3.02 -1.26 -3.70 115.26 111.37 1qgb n ASN 24 Ca 0.00 1.21 -0.02 0.00 -0.03 0.00 0.00 54.58 55.74 1qgb n ASN 24 Cb 0.00 -0.52 -0.01 0.00 -0.61 0.00 0.00 39.78 38.64 1qgb n ASN 24 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qgb n GLY 25 N -1.27 -0.11 2.82 7.41 0.00 -1.26 -5.14 105.19 107.64 1qgb n GLY 25 Ca 0.23 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 46.10 1qgb n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qgb s LYS 26 N 0.01 -0.01 -0.68 1.61 1.02 -1.24 -5.10 119.74 115.34 1qgb s LYS 26 Ca 0.01 0.09 -0.01 0.00 0.02 0.00 0.00 55.97 56.08 1qgb s LYS 26 Cb 0.03 -0.13 0.17 0.00 -0.52 0.00 0.00 37.83 37.38 1qgb s LYS 26 CO -0.01 -0.08 0.50 -1.58 -0.92 0.00 0.00 175.35 173.25 1qgb s HIS 27 N 0.55 3.49 0.00 3.18 2.46 -1.26 -1.11 115.29 122.60 1qgb s HIS 27 Ca -0.05 -2.94 0.00 0.00 0.47 0.00 0.00 55.06 52.54 1qgb s HIS 27 Cb -0.07 -3.09 0.00 0.00 -0.13 0.00 0.00 32.58 29.30 1qgb s HIS 27 CO -0.02 -0.76 0.00 0.66 -2.47 0.00 0.00 174.74 172.15 1qgb n TYR 28 N 2.96 -3.55 -3.77 3.88 4.01 -1.26 -4.95 117.16 114.48 1qgb n TYR 28 Ca 0.12 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.65 1qgb n TYR 28 Cb 0.36 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.36 1qgb n TYR 28 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 1qgb s GLN 29 N -2.69 2.73 0.65 -0.72 -0.21 -1.26 -3.94 119.66 114.22 1qgb s GLN 29 Ca 0.00 -1.30 -0.18 0.00 0.02 0.00 0.00 55.36 53.90 1qgb s GLN 29 Cb 0.00 -2.49 -0.01 0.00 1.00 0.00 0.00 33.01 31.51 1qgb s GLN 29 CO 0.00 0.07 1.20 -0.89 -2.12 0.00 0.00 175.29 173.55 1qgb n ILE 30 N -1.40 4.51 -1.19 1.08 -0.00 -1.26 -1.87 119.36 119.21 1qgb n ILE 30 Ca -0.01 -0.48 -0.07 0.00 -0.00 0.00 0.00 62.75 62.19 1qgb n ILE 30 Cb 0.60 -1.38 -0.03 0.00 -0.00 0.00 0.00 39.64 38.82 1qgb n ILE 30 CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 176.55 177.14 1qgb n ASN 31 N -1.70 -5.70 -4.88 4.38 3.02 0.22 -4.95 115.26 105.66 1qgb n ASN 31 Ca 0.15 0.16 -0.32 0.00 -0.03 0.00 0.00 54.58 54.55 1qgb n ASN 31 Cb 0.48 -3.78 -0.05 0.00 -0.61 0.00 0.00 39.78 35.82 1qgb n ASN 31 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1qgb s GLN 32 N -2.50 3.78 0.03 3.52 0.74 -0.78 -4.78 119.66 119.67 1qgb s GLN 32 Ca 0.00 0.24 0.06 0.00 0.05 0.00 0.00 55.36 55.71 1qgb s GLN 32 Cb 0.00 -2.67 -0.03 0.00 1.10 0.00 0.00 33.01 31.41 1qgb s GLN 32 CO 0.00 0.33 -0.14 -0.65 -0.55 0.00 0.00 175.29 174.28 1qgb s GLN 33 N -2.80 2.23 0.32 1.67 -0.21 -1.26 -0.65 119.66 118.95 1qgb s GLN 33 Ca 0.47 -0.90 -0.08 0.00 0.02 0.00 0.00 55.36 54.86 1qgb s GLN 33 Cb -0.11 -2.29 0.01 0.00 1.00 0.00 0.00 33.01 31.62 1qgb s GLN 33 CO 0.21 0.56 0.54 1.67 -2.12 0.00 0.00 175.29 176.15 1qgb s TRP 34 N -0.96 0.65 -0.23 0.91 -2.14 -0.83 -5.01 118.94 111.34 1qgb s TRP 34 Ca 0.16 -1.01 -0.04 0.00 2.66 0.00 0.00 56.10 57.86 1qgb s TRP 34 Cb -0.11 0.18 -0.01 0.00 -3.10 0.00 0.00 33.47 30.44 1qgb s TRP 34 CO 0.06 -1.17 -0.03 -2.00 -2.66 0.00 0.00 176.95 171.15 1qgb s GLU 35 N -3.23 3.39 0.55 3.25 2.12 -1.26 -0.71 118.70 122.82 1qgb s GLU 35 Ca 0.25 -0.62 0.05 0.00 0.36 0.00 0.00 54.97 55.01 1qgb s GLU 35 Cb -0.01 -3.05 0.05 0.00 0.26 0.00 0.00 34.13 31.37 1qgb s GLU 35 CO 0.15 -0.21 0.38 -2.13 -0.54 0.00 0.00 175.26 172.91 1qgb n ARG 36 N 4.81 0.67 -4.17 4.30 0.63 0.57 -4.89 116.66 118.59 1qgb n ARG 36 Ca -0.18 -3.51 -0.11 0.00 -0.92 0.00 0.00 57.85 53.13 1qgb n ARG 36 Cb 0.51 0.43 -0.10 0.00 0.45 0.00 0.00 32.46 33.74 1qgb n ARG 36 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 1qgb s THR 37 N -2.78 0.70 -0.30 5.15 2.01 -1.26 0.21 115.64 119.37 1qgb s THR 37 Ca 0.29 -1.92 -0.22 0.00 0.31 0.00 0.00 61.69 60.15 1qgb s THR 37 Cb -0.02 -1.66 0.20 0.00 0.01 0.00 0.00 72.50 71.02 1qgb s THR 37 CO 0.18 -0.86 1.38 -0.47 -0.69 0.00 0.00 174.62 174.17 1qgb s TYR 38 N -3.57 -0.07 -1.81 4.92 6.14 -1.08 -4.90 117.35 116.99 1qgb s TYR 38 Ca 0.11 0.16 0.00 0.00 0.64 0.00 0.00 57.07 57.98 1qgb s TYR 38 Cb 0.05 0.35 0.00 0.00 0.42 0.00 0.00 41.96 42.78 1qgb s TYR 38 CO -0.05 -0.03 0.00 1.28 0.64 0.00 0.00 175.55 177.39 1qgb n LEU 39 N 2.04 -1.77 -2.53 6.97 4.32 -1.26 -2.24 117.00 122.53 1qgb n LEU 39 Ca -0.12 0.13 -0.11 0.00 -0.02 0.00 0.00 56.01 55.88 1qgb n LEU 39 Cb 0.57 -2.84 0.06 0.00 -1.62 0.00 0.00 43.42 39.58 1qgb n LEU 39 CO 0.03 -0.41 0.07 0.61 -1.22 0.00 0.00 177.39 176.46 1qgb n GLY 40 N -0.84 -0.06 3.52 -0.72 0.00 -1.26 -5.04 105.19 100.78 1qgb n GLY 40 Ca -0.23 -0.11 -0.09 0.00 0.00 0.00 0.00 46.02 45.59 1qgb n GLY 40 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1qgb s ASN 41 N -3.85 -0.13 -0.04 1.61 0.01 -0.95 -5.15 114.94 106.45 1qgb s ASN 41 Ca 0.01 -0.75 -0.23 0.00 -0.71 0.00 0.00 52.86 51.17 1qgb s ASN 41 Cb -0.00 0.56 -0.04 0.00 0.41 0.00 0.00 41.25 42.17 1qgb s ASN 41 CO 0.46 -1.07 0.70 0.00 -1.51 0.00 0.00 177.10 175.68 1qgb s ALA 42 N -3.95 3.36 0.14 0.60 0.00 -1.26 -2.62 121.76 118.03 1qgb s ALA 42 Ca 0.16 0.15 0.07 0.00 0.00 0.00 0.00 51.96 52.34 1qgb s ALA 42 Cb -0.00 -2.94 -0.04 0.00 0.00 0.00 0.00 23.12 20.14 1qgb s ALA 42 CO 0.03 -0.04 -0.15 -0.51 0.00 0.00 0.00 175.76 175.09 1qgb s LEU 43 N 0.52 2.43 -0.16 0.00 1.02 0.56 -3.43 118.68 119.62 1qgb s LEU 43 Ca 0.37 -0.85 0.01 0.00 0.02 0.00 0.00 54.13 53.68 1qgb s LEU 43 Cb -0.18 -0.64 0.02 0.00 0.02 0.00 0.00 46.19 45.40 1qgb s LEU 43 CO 0.19 -0.12 -0.20 -0.69 0.02 0.00 0.00 176.35 175.55 1qgb s VAL 44 N -2.22 2.00 0.31 -1.59 1.01 -1.23 0.21 120.40 118.88 1qgb s VAL 44 Ca 0.12 -0.91 0.08 0.00 0.00 0.00 0.00 61.98 61.27 1qgb s VAL 44 Cb -0.04 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 1qgb s VAL 44 CO 0.04 0.53 0.23 0.00 0.00 0.00 0.00 175.10 175.91 1qgb s THR 46 N -2.27 -0.52 0.16 0.00 2.01 -1.21 -1.96 115.64 111.85 1qgb s THR 46 Ca 0.38 0.15 -0.30 0.00 0.31 0.00 0.00 61.69 62.23 1qgb s THR 46 Cb -0.06 -0.60 -0.07 0.00 0.01 0.00 0.00 72.50 71.78 1qgb s THR 46 CO 0.25 0.04 1.16 0.00 -0.69 0.00 0.00 174.62 175.38 1qgb n TYR 48 N 2.69 0.00 0.00 0.00 4.02 -1.26 0.73 117.16 123.34 1qgb n TYR 48 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.93 1qgb n TYR 48 Cb 0.45 -0.63 0.00 0.00 -0.02 0.00 0.00 39.34 39.15 1qgb n TYR 48 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1qgb n GLY 49 N 2.19 1.53 7.00 2.72 0.00 -1.26 -4.51 105.19 112.85 1qgb n GLY 49 Ca -0.20 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 43.83 1qgb n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qgb n GLY 50 N 1.96 3.10 0.39 -0.02 0.00 -1.26 -1.23 105.19 108.14 1qgb n GLY 50 Ca 0.00 0.16 0.08 0.00 0.00 0.00 0.00 46.02 46.26 1qgb n GLY 50 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1qgb n SER 51 N 4.38 1.70 -0.21 1.61 7.64 -1.26 -4.48 113.62 122.99 1qgb n SER 51 Ca 0.00 -1.35 0.31 0.00 1.01 0.00 0.00 58.87 58.84 1qgb n SER 51 Cb 0.00 0.45 0.71 0.00 -1.01 0.00 0.00 64.21 64.36 1qgb n SER 51 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1qgb h ARG 52 N 1.91 0.00 -3.90 1.43 3.08 -1.51 -3.47 114.38 111.93 1qgb h ARG 52 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1qgb h ARG 52 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.62 1qgb h ARG 52 CO 0.00 0.00 -0.99 0.41 -1.07 0.00 0.00 179.97 178.32 1qgb n GLY 53 N -1.69 -4.34 3.76 0.04 0.00 -1.25 -4.90 105.19 96.80 1qgb n GLY 53 Ca 0.21 -0.78 -0.30 0.00 0.00 0.00 0.00 46.02 45.15 1qgb n GLY 53 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1qgb s PHE 54 N -4.83 1.08 -0.24 1.61 -0.12 -1.26 -4.39 117.98 109.84 1qgb s PHE 54 Ca 0.00 0.42 -0.07 0.00 -0.05 0.00 0.00 56.93 57.22 1qgb s PHE 54 Cb 0.00 -3.78 0.11 0.00 -0.63 0.00 0.00 43.02 38.72 1qgb s PHE 54 CO 0.00 -3.24 0.49 -0.80 -0.05 0.00 0.00 175.22 171.63 1qgb s ASN 55 N -4.39 -0.54 0.08 1.98 -0.87 -1.22 -4.95 114.94 105.03 1qgb s ASN 55 Ca 0.72 1.10 0.02 0.00 -1.57 0.00 0.00 52.86 53.13 1qgb s ASN 55 Cb -0.07 1.66 -0.04 0.00 -0.02 0.00 0.00 41.25 42.78 1qgb s ASN 55 CO 0.54 -0.24 0.15 0.00 -2.57 0.00 0.00 177.10 174.99 1qgb n GLU 57 N 0.26 0.00 -0.91 0.00 0.28 -1.00 -4.92 120.64 114.36 1qgb n GLU 57 Ca -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.93 1qgb n GLU 57 Cb 0.52 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.39 1qgb n GLU 57 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1qgb n SER 58 N -0.39 0.00 -3.39 -1.84 3.41 -1.26 -4.60 113.62 105.55 1qgb n SER 58 Ca 0.00 -0.61 -0.19 0.00 -0.26 0.00 0.00 58.87 57.82 1qgb n SER 58 Cb 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 1qgb n SER 58 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1qgb s LYS 59 N -0.82 0.51 -0.76 4.33 2.36 -1.22 -3.52 119.74 120.63 1qgb s LYS 59 Ca 0.00 -0.67 -0.28 0.00 -2.55 0.00 0.00 55.97 52.47 1qgb s LYS 59 Cb 0.00 -0.79 -0.15 0.00 -1.05 0.00 0.00 37.83 35.84 1qgb s LYS 59 CO 0.00 -1.14 2.55 -2.30 1.55 0.00 0.00 175.35 176.01 1qgb n PRO 60 N 4.61 0.50 -0.67 4.03 -0.02 -1.26 -4.74 135.00 137.45 1qgb n PRO 60 Ca 0.06 -0.02 0.52 0.00 -2.02 0.00 0.00 63.50 62.04 1qgb n PRO 60 Cb 0.44 -2.46 0.80 0.00 -0.02 0.00 0.00 33.50 32.26 1qgb n PRO 60 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1qgb h GLU 61 N 15.63 0.00 -5.08 -0.52 4.81 -1.98 -3.32 114.58 124.12 1qgb h GLU 61 Ca -0.14 0.00 -0.66 0.00 -0.13 0.00 0.00 59.36 58.43 1qgb h GLU 61 Cb 1.28 0.00 -0.35 0.00 0.63 0.00 0.00 28.75 30.31 1qgb h GLU 61 CO 1.28 0.00 -0.86 0.00 -0.73 0.00 0.00 179.01 178.70 1qgb s ALA 62 N -4.83 2.23 -0.09 2.92 0.00 -1.26 -5.08 121.76 115.64 1qgb s ALA 62 Ca -0.05 -1.12 0.04 0.00 0.00 0.00 0.00 51.96 50.84 1qgb s ALA 62 Cb 0.26 -1.07 -0.00 0.00 0.00 0.00 0.00 23.12 22.31 1qgb s ALA 62 CO 0.86 -0.20 -0.24 -2.00 0.00 0.00 0.00 175.76 174.19 1qgb s GLU 63 N 1.08 2.99 -1.13 0.00 2.12 -1.25 -4.60 118.70 117.90 1qgb s GLU 63 Ca -0.01 -0.88 -0.12 0.00 0.36 0.00 0.00 54.97 54.32 1qgb s GLU 63 Cb -0.14 -2.29 -0.03 0.00 0.26 0.00 0.00 34.13 31.93 1qgb s GLU 63 CO -0.07 0.21 0.82 -1.91 -0.54 0.00 0.00 175.26 173.77 1qgb n GLU 64 N 3.44 -2.18 -2.82 4.30 2.13 -1.26 -4.99 120.64 119.26 1qgb n GLU 64 Ca -0.19 0.63 -0.05 0.00 0.66 0.00 0.00 57.16 58.20 1qgb n GLU 64 Cb 0.53 -4.89 0.02 0.00 0.27 0.00 0.00 31.44 27.37 1qgb n GLU 64 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 1qgb n THR 65 N -3.87 0.00 -3.83 6.31 5.66 -1.26 -4.56 114.28 112.73 1qgb n THR 65 Ca -0.12 -0.62 -0.01 0.00 -3.05 0.00 0.00 64.05 60.26 1qgb n THR 65 Cb 0.61 0.63 0.01 0.00 -1.55 0.00 0.00 70.33 70.03 1qgb n THR 65 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1qgb s PHE 67 N -2.36 -1.19 -0.49 0.00 2.19 -1.26 -3.78 117.98 111.10 1qgb s PHE 67 Ca 0.21 1.28 0.03 0.00 0.33 0.00 0.00 56.93 58.77 1qgb s PHE 67 Cb -0.00 0.42 0.47 0.00 -1.31 0.00 0.00 43.02 42.60 1qgb s PHE 67 CO 0.01 -0.65 1.67 -3.47 1.83 0.00 0.00 175.22 174.62 1qgb n ASP 68 N 5.45 5.99 0.00 6.13 -0.08 -1.26 -5.07 116.55 127.71 1qgb n ASP 68 Ca -0.03 -3.77 0.00 0.00 -1.51 0.00 0.00 54.79 49.48 1qgb n ASP 68 Cb 0.52 -0.71 0.00 0.00 2.34 0.00 0.00 41.12 43.27 1qgb n ASP 68 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 1qgb n LYS 69 N -0.88 0.00 0.00 -0.67 2.85 -1.26 -4.62 118.16 113.58 1qgb n LYS 69 Ca 0.53 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.79 1qgb n LYS 69 Cb 0.86 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.24 1qgb n LYS 69 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1qgb n TYR 70 N 0.00 0.00 0.11 5.58 4.01 -1.26 -3.65 117.16 121.95 1qgb n TYR 70 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1qgb n TYR 70 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1qgb n TYR 70 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1qgb n THR 71 N 0.00 0.07 0.00 -0.72 -1.04 -1.26 -5.10 114.28 106.23 1qgb n THR 71 Ca 0.00 0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 1qgb n THR 71 Cb 0.00 -0.46 0.00 0.00 -1.82 0.00 0.00 70.33 68.05 1qgb n THR 71 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1qgb n GLY 72 N 1.65 0.37 3.10 3.41 0.00 -1.24 -5.07 105.19 107.42 1qgb n GLY 72 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1qgb n GLY 72 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1qgb n ASN 73 N 0.00 5.10 -4.39 1.61 5.15 -1.26 -4.97 115.26 116.50 1qgb n ASN 73 Ca 0.00 -3.05 -0.52 0.00 -0.60 0.00 0.00 54.58 50.41 1qgb n ASN 73 Cb 0.00 -1.53 -0.10 0.00 -0.53 0.00 0.00 39.78 37.63 1qgb n ASN 73 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 1qgb n THR 74 N 3.94 0.07 -0.49 -0.44 -1.04 -1.26 -4.78 114.28 110.28 1qgb n THR 74 Ca 0.39 -0.16 0.00 0.00 -2.04 0.00 0.00 64.05 62.24 1qgb n THR 74 Cb 0.39 -1.13 0.00 0.00 -1.82 0.00 0.00 70.33 67.77 1qgb n THR 74 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1qgb n TYR 75 N 9.47 0.00 -3.79 -1.42 4.01 -1.25 -4.81 117.16 119.37 1qgb n TYR 75 Ca 0.50 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 58.11 1qgb n TYR 75 Cb 0.12 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.02 1qgb n TYR 75 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1qgb s ARG 76 N 0.88 0.12 0.57 -0.72 0.52 -1.26 -3.40 118.95 115.66 1qgb s ARG 76 Ca 0.00 0.26 0.37 0.00 -0.52 0.00 0.00 55.73 55.85 1qgb s ARG 76 Cb 0.00 -0.04 1.43 0.00 0.52 0.00 0.00 34.95 36.86 1qgb s ARG 76 CO 0.00 -0.08 1.60 0.28 0.02 0.00 0.00 175.30 177.12 1qgb h VAL 77 N 5.44 0.16 -0.56 3.52 2.07 -1.71 1.43 116.25 126.59 1qgb h VAL 77 Ca -0.33 0.00 -0.31 0.00 0.82 0.00 0.00 66.70 66.88 1qgb h VAL 77 Cb 1.17 0.19 -0.18 0.00 -1.52 0.00 0.00 31.29 30.96 1qgb h VAL 77 CO 0.43 0.00 0.10 0.61 0.02 0.00 0.00 177.57 178.73 1qgb n GLY 78 N -1.77 4.95 2.85 2.17 0.00 -1.26 -4.63 105.19 107.50 1qgb n GLY 78 Ca 0.29 -1.33 -0.30 0.00 0.00 0.00 0.00 46.02 44.68 1qgb n GLY 78 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1qgb s ASP 79 N -2.27 3.82 -0.27 1.61 2.15 0.49 -5.10 116.67 117.10 1qgb s ASP 79 Ca 0.49 -1.34 -0.24 0.00 0.43 0.00 0.00 52.55 51.89 1qgb s ASP 79 Cb 0.43 -1.03 -0.00 0.00 -0.30 0.00 0.00 42.92 42.02 1qgb s ASP 79 CO 0.02 -0.31 0.80 0.42 -0.17 0.00 0.00 175.17 175.93 1qgb s THR 80 N 1.49 4.83 0.46 1.71 -4.23 -1.26 -4.09 115.64 114.54 1qgb s THR 80 Ca 0.01 1.39 0.04 0.00 -1.18 0.00 0.00 61.69 61.96 1qgb s THR 80 Cb -0.18 -4.11 -0.05 0.00 1.34 0.00 0.00 72.50 69.50 1qgb s THR 80 CO -0.12 -0.13 0.01 -0.72 -0.54 0.00 0.00 174.62 173.12 1qgb s TYR 81 N 2.86 2.22 0.04 3.99 1.13 -0.29 -4.98 117.35 122.32 1qgb s TYR 81 Ca 0.33 -0.80 -0.01 0.00 -1.41 0.00 0.00 57.07 55.18 1qgb s TYR 81 Cb -0.15 -1.70 -0.03 0.00 -1.10 0.00 0.00 41.96 38.98 1qgb s TYR 81 CO 0.09 0.35 -0.03 -1.83 -2.51 0.00 0.00 175.55 171.62 1qgb s GLU 82 N -3.79 0.49 -0.08 -3.49 -1.05 -1.26 0.19 118.70 109.72 1qgb s GLU 82 Ca 0.22 -0.97 -0.02 0.00 -0.15 0.00 0.00 54.97 54.05 1qgb s GLU 82 Cb 0.06 0.17 0.03 0.00 -0.44 0.00 0.00 34.13 33.95 1qgb s GLU 82 CO 0.11 -0.09 0.02 1.03 0.95 0.00 0.00 175.26 177.28 1qgb s ARG 83 N -2.91 0.47 -0.77 -4.83 1.81 -0.84 -4.89 118.95 106.99 1qgb s ARG 83 Ca -0.02 0.12 -0.25 0.00 -1.72 0.00 0.00 55.73 53.85 1qgb s ARG 83 Cb 0.01 -0.98 -0.03 0.00 -0.45 0.00 0.00 34.95 33.50 1qgb s ARG 83 CO -0.06 -0.34 1.86 -1.25 -0.68 0.00 0.00 175.30 174.82 1qgb s PRO 84 N 2.01 2.66 0.14 3.54 0.04 -1.26 -3.64 135.00 138.48 1qgb s PRO 84 Ca 0.05 0.09 -0.08 0.00 0.04 0.00 0.00 61.00 61.10 1qgb s PRO 84 Cb -0.13 -4.72 -0.01 0.00 0.04 0.00 0.00 34.50 29.68 1qgb s PRO 84 CO -0.05 -2.98 0.24 0.15 0.04 0.00 0.00 177.00 174.40 1qgb s LYS 85 N 6.88 1.05 -1.28 4.56 1.02 -0.04 -4.93 119.74 127.01 1qgb s LYS 85 Ca 0.66 -1.13 -0.01 0.00 0.02 0.00 0.00 55.97 55.51 1qgb s LYS 85 Cb -0.09 0.36 0.00 0.00 -0.52 0.00 0.00 37.83 37.58 1qgb s LYS 85 CO 0.09 -0.37 0.82 -3.47 -0.92 0.00 0.00 175.35 171.51 1qgb n ASP 86 N -0.16 -1.67 -2.70 2.83 -0.08 -1.26 -1.35 116.55 112.15 1qgb n ASP 86 Ca -0.09 -0.74 -0.08 0.00 -1.51 0.00 0.00 54.79 52.37 1qgb n ASP 86 Cb 0.63 -4.46 -0.01 0.00 2.34 0.00 0.00 41.12 39.63 1qgb n ASP 86 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1qgb n SER 87 N -3.08 -1.97 -3.29 1.67 7.64 -1.26 -4.82 113.62 108.52 1qgb n SER 87 Ca -0.28 0.23 -0.08 0.00 1.01 0.00 0.00 58.87 59.74 1qgb n SER 87 Cb 0.67 -1.76 0.00 0.00 -1.01 0.00 0.00 64.21 62.11 1qgb n SER 87 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1qgb s MET 88 N -5.25 2.05 -0.05 1.43 0.00 -0.46 -5.17 119.30 111.85 1qgb s MET 88 Ca 0.09 -1.30 0.04 0.00 0.00 0.00 0.00 55.69 54.52 1qgb s MET 88 Cb -0.05 0.61 -0.00 0.00 0.00 0.00 0.00 34.83 35.39 1qgb s MET 88 CO 0.11 -0.95 -0.16 0.42 0.00 0.00 0.00 175.02 174.44 1qgb s ILE 89 N -2.94 1.40 -0.08 10.11 1.09 -1.26 -0.86 121.20 128.66 1qgb s ILE 89 Ca 0.15 -0.69 0.01 0.00 -1.10 0.00 0.00 60.65 59.02 1qgb s ILE 89 Cb -0.05 -1.21 0.02 0.00 -1.06 0.00 0.00 42.46 40.15 1qgb s ILE 89 CO 0.10 0.41 -0.09 0.26 -0.10 0.00 0.00 174.94 175.52 1qgb s TRP 90 N 0.16 1.35 -1.37 3.97 0.52 -1.24 -3.42 118.94 118.90 1qgb s TRP 90 Ca -0.06 -0.57 -0.15 0.00 0.02 0.00 0.00 56.10 55.33 1qgb s TRP 90 Cb -0.12 -1.08 0.02 0.00 -1.15 0.00 0.00 33.47 31.13 1qgb s TRP 90 CO 0.03 -0.38 2.15 -0.25 0.02 0.00 0.00 176.95 178.52 1qgb n ASP 91 N 4.42 3.83 -4.53 2.95 8.00 0.10 -2.00 116.55 129.32 1qgb n ASP 91 Ca -0.18 -2.83 -0.49 0.00 0.71 0.00 0.00 54.79 52.01 1qgb n ASP 91 Cb 0.51 -1.62 -0.04 0.00 -0.02 0.00 0.00 41.12 39.96 1qgb n ASP 91 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qgb s THR 93 N -0.54 2.82 -0.56 0.00 2.01 -0.67 -1.13 115.64 117.57 1qgb s THR 93 Ca 0.70 -0.69 -0.24 0.00 0.31 0.00 0.00 61.69 61.76 1qgb s THR 93 Cb -0.88 -2.23 -0.22 0.00 0.01 0.00 0.00 72.50 69.18 1qgb s THR 93 CO 0.55 0.49 1.83 0.00 -0.69 0.00 0.00 174.62 176.80 1qgb n ILE 95 N 6.25 0.76 -3.56 0.00 5.41 -1.26 -4.11 119.36 122.85 1qgb n ILE 95 Ca 0.49 0.19 0.00 0.00 1.00 0.00 0.00 62.75 64.43 1qgb n ILE 95 Cb 0.40 -0.93 0.00 0.00 -0.71 0.00 0.00 39.64 38.40 1qgb n ILE 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1qgb n GLY 96 N 0.04 5.04 0.26 7.39 0.00 -1.26 -4.64 105.19 112.01 1qgb n GLY 96 Ca 0.05 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.29 1qgb n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qgb n ALA 97 N -3.00 2.10 -1.91 4.61 0.00 -1.25 -4.54 120.51 116.51 1qgb n ALA 97 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1qgb n ALA 97 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1qgb n ALA 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qgb n GLY 98 N 1.45 0.50 0.00 0.00 0.00 -1.26 -3.93 105.19 101.95 1qgb n GLY 98 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1qgb n GLY 98 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qgb n ARG 99 N 0.00 0.00 0.00 1.61 5.12 -1.26 -5.02 116.66 117.11 1qgb n ARG 99 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1qgb n ARG 99 Cb 0.55 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.85 1qgb n ARG 99 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1qgb n GLY 100 N 0.00 0.10 0.00 -0.13 0.00 -1.26 -5.04 105.19 98.86 1qgb n GLY 100 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1qgb n GLY 100 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1qgb n ARG 101 N 0.00 0.00 -1.48 1.61 0.00 -1.26 -4.92 116.66 110.61 1qgb n ARG 101 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.85 57.71 1qgb n ARG 101 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 32.46 32.35 1qgb n ARG 101 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 1qgb n ILE 102 N 0.00 0.00 -0.53 5.15 5.41 -1.26 -4.47 119.36 123.66 1qgb n ILE 102 Ca 0.00 -0.05 -0.29 0.00 1.00 0.00 0.00 62.75 63.41 1qgb n ILE 102 Cb 0.00 -1.81 0.23 0.00 -0.71 0.00 0.00 39.64 37.35 1qgb n ILE 102 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1qgb n SER 103 N 18.23 -1.61 -3.43 4.38 2.88 -1.21 -4.69 113.62 128.17 1qgb n SER 103 Ca 0.37 -0.08 -0.17 0.00 -1.33 0.00 0.00 58.87 57.67 1qgb n SER 103 Cb 0.47 -1.24 -0.11 0.00 -0.75 0.00 0.00 64.21 62.58 1qgb n SER 103 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qgb s THR 105 N 2.37 2.30 0.44 0.00 -1.32 -1.26 -4.89 115.64 113.28 1qgb s THR 105 Ca 0.09 -0.98 -0.26 0.00 -1.21 0.00 0.00 61.69 59.34 1qgb s THR 105 Cb -0.15 -1.86 -0.09 0.00 -1.51 0.00 0.00 72.50 68.89 1qgb s THR 105 CO -0.23 0.57 1.45 -0.63 -2.21 0.00 0.00 174.62 173.56 1qgb s ILE 106 N -0.18 2.02 -0.23 5.08 1.09 -1.26 -0.72 121.20 127.00 1qgb s ILE 106 Ca -0.02 0.02 -0.02 0.00 -1.10 0.00 0.00 60.65 59.53 1qgb s ILE 106 Cb -0.14 -3.01 0.07 0.00 -1.06 0.00 0.00 42.46 38.32 1qgb s ILE 106 CO 0.04 0.00 0.04 0.00 -0.10 0.00 0.00 174.94 174.92 1qgb s ALA 107 N -1.18 1.24 -0.14 9.38 0.00 -1.22 -4.81 121.76 125.03 1qgb s ALA 107 Ca 0.60 -1.03 -0.02 0.00 0.00 0.00 0.00 51.96 51.51 1qgb s ALA 107 Cb -0.45 -1.33 -0.02 0.00 0.00 0.00 0.00 23.12 21.33 1qgb s ALA 107 CO 0.58 -1.31 -0.09 1.21 0.00 0.00 0.00 175.76 176.15 1qgb s ASN 108 N 1.75 4.32 0.00 0.00 3.84 -1.26 -4.95 114.94 118.63 1qgb s ASN 108 Ca 0.01 -0.25 0.00 0.00 0.21 0.00 0.00 52.86 52.83 1qgb s ASN 108 Cb -0.17 -1.68 0.00 0.00 -0.55 0.00 0.00 41.25 38.85 1qgb s ASN 108 CO -0.13 0.16 0.00 0.54 -2.79 0.00 0.00 177.10 174.89