#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 3.04 0.60 -1.46 -0.14 -1.26 -5.12 119.74 115.41 1qgb s LYS 18 Ca 0.00 -0.56 -0.14 0.00 -1.36 0.00 0.00 55.97 53.91 1qgb s LYS 18 Cb 0.00 -2.67 -0.03 0.00 -1.68 0.00 0.00 37.83 33.45 1qgb s LYS 18 CO 0.00 0.51 1.04 -1.25 -0.76 0.00 0.00 175.35 174.89 1qgb s PRO 19 N -0.39 3.38 2.90 -1.68 0.04 -1.26 -4.66 135.00 133.33 1qgb s PRO 19 Ca 0.06 1.06 0.00 0.00 0.04 0.00 0.00 61.00 62.16 1qgb s PRO 19 Cb -0.12 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.37 1qgb s PRO 19 CO 0.02 -0.75 0.00 0.41 0.04 0.00 0.00 177.00 176.72 1qgb n GLY 20 N -1.46 -0.25 2.84 0.56 0.00 -1.26 -4.86 105.19 100.76 1qgb n GLY 20 Ca 0.08 -1.03 -0.14 0.00 0.00 0.00 0.00 46.02 44.92 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 0.49 3.00 -0.13 0.00 5.04 -1.26 -1.18 117.35 123.31 1qgb s TYR 22 Ca -0.04 -0.80 -0.30 0.00 -2.44 0.00 0.00 57.07 53.48 1qgb s TYR 22 Cb -0.07 -2.14 0.12 0.00 0.35 0.00 0.00 41.96 40.22 1qgb s TYR 22 CO -0.01 -0.50 0.95 0.34 -1.34 0.00 0.00 175.55 174.99 1qgb s ASP 23 N 1.52 -0.40 -1.26 4.32 2.15 -0.17 -4.99 116.67 117.84 1qgb s ASP 23 Ca 0.06 0.37 -0.01 0.00 0.43 0.00 0.00 52.55 53.40 1qgb s ASP 23 Cb -0.15 0.34 -0.00 0.00 -0.30 0.00 0.00 42.92 42.81 1qgb s ASP 23 CO -0.01 -0.41 0.78 -3.20 -0.17 0.00 0.00 175.17 172.15 1qgb n ASN 24 N 0.59 -1.83 -1.63 -0.34 5.15 -1.26 -1.09 115.26 114.86 1qgb n ASN 24 Ca -0.11 -0.78 -0.08 0.00 -0.60 0.00 0.00 54.58 53.01 1qgb n ASN 24 Cb 0.58 -4.31 -0.02 0.00 -0.53 0.00 0.00 39.78 35.50 1qgb n ASN 24 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1qgb n GLY 25 N -1.47 0.35 3.03 8.20 0.00 -1.26 -4.89 105.19 109.15 1qgb n GLY 25 Ca -0.28 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.44 0.84 -0.79 1.61 3.01 -0.25 -5.10 119.74 115.63 1qgb s LYS 26 Ca 0.00 -0.35 -0.04 0.00 -1.01 0.00 0.00 55.97 54.57 1qgb s LYS 26 Cb 0.00 -0.81 0.20 0.00 -1.01 0.00 0.00 37.83 36.21 1qgb s LYS 26 CO 0.00 0.19 0.66 -1.58 0.51 0.00 0.00 175.35 175.13 1qgb s HIS 27 N -0.14 3.69 0.72 3.18 2.46 -1.26 -1.00 115.29 122.94 1qgb s HIS 27 Ca 0.02 -2.73 -0.12 0.00 0.47 0.00 0.00 55.06 52.71 1qgb s HIS 27 Cb -0.05 -3.34 0.02 0.00 -0.13 0.00 0.00 32.58 29.08 1qgb s HIS 27 CO -0.00 -0.83 1.11 0.71 -2.47 0.00 0.00 174.74 173.26 1qgb s TYR 28 N -0.60 3.26 0.28 3.88 1.51 -0.32 -4.89 117.35 120.48 1qgb s TYR 28 Ca 0.22 1.02 0.06 0.00 -1.01 0.00 0.00 57.07 57.35 1qgb s TYR 28 Cb -0.13 -3.12 -0.02 0.00 -0.11 0.00 0.00 41.96 38.57 1qgb s TYR 28 CO -0.08 -1.27 0.40 -1.14 -1.11 0.00 0.00 175.55 172.35 1qgb s GLN 29 N -5.38 3.28 0.81 -0.62 2.00 -1.26 -0.98 119.66 117.51 1qgb s GLN 29 Ca 0.59 -0.88 -0.15 0.00 -2.00 0.00 0.00 55.36 52.91 1qgb s GLN 29 Cb -0.11 -2.85 -0.04 0.00 0.80 0.00 0.00 33.01 30.82 1qgb s GLN 29 CO 0.52 0.27 0.29 -0.89 -0.50 0.00 0.00 175.29 174.97 1qgb n ILE 30 N -1.50 0.90 -1.49 -2.34 -0.00 -1.26 -1.61 119.36 112.05 1qgb n ILE 30 Ca -0.05 -0.35 -0.17 0.00 -0.00 0.00 0.00 62.75 62.18 1qgb n ILE 30 Cb 0.58 -0.57 -0.07 0.00 -0.00 0.00 0.00 39.64 39.58 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 0.02 -4.68 -4.88 4.38 3.02 -0.97 -4.94 115.26 107.21 1qgb n ASN 31 Ca 0.07 0.42 -0.32 0.00 -0.03 0.00 0.00 54.58 54.72 1qgb n ASN 31 Cb 0.52 -4.15 -0.05 0.00 -0.61 0.00 0.00 39.78 35.48 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 -3.44 3.32 0.05 3.52 0.74 -0.64 -4.89 119.66 118.32 1qgb s GLN 32 Ca 0.00 -0.43 0.08 0.00 0.05 0.00 0.00 55.36 55.06 1qgb s GLN 32 Cb 0.00 -3.00 -0.03 0.00 1.10 0.00 0.00 33.01 31.08 1qgb s GLN 32 CO 0.00 0.64 -0.19 -0.65 -0.55 0.00 0.00 175.29 174.53 1qgb s GLN 33 N -2.14 2.00 0.23 1.67 -0.21 -1.26 -1.04 119.66 118.91 1qgb s GLN 33 Ca 0.29 -1.02 -0.11 0.00 0.02 0.00 0.00 55.36 54.54 1qgb s GLN 33 Cb -0.13 -2.15 -0.01 0.00 1.00 0.00 0.00 33.01 31.73 1qgb s GLN 33 CO 0.21 0.53 0.42 1.67 -2.12 0.00 0.00 175.29 176.00 1qgb s TRP 34 N -0.93 0.41 -0.22 0.91 -2.14 -0.97 -5.03 118.94 110.97 1qgb s TRP 34 Ca 0.14 -0.75 -0.10 0.00 2.66 0.00 0.00 56.10 58.05 1qgb s TRP 34 Cb -0.10 0.10 -0.05 0.00 -3.10 0.00 0.00 33.47 30.32 1qgb s TRP 34 CO 0.05 -0.91 0.13 -2.00 -2.66 0.00 0.00 176.95 171.56 1qgb s GLU 35 N -4.01 4.04 0.49 3.25 2.12 -1.26 -1.13 118.70 122.20 1qgb s GLU 35 Ca 0.22 -0.29 0.02 0.00 0.36 0.00 0.00 54.97 55.29 1qgb s GLU 35 Cb 0.01 -3.44 -0.02 0.00 0.26 0.00 0.00 34.13 30.94 1qgb s GLU 35 CO 0.07 0.13 0.03 1.03 -0.54 0.00 0.00 175.26 175.97 1qgb s ARG 36 N 0.84 2.16 -0.08 4.30 0.52 0.11 -4.92 118.95 121.89 1qgb s ARG 36 Ca 0.07 -2.33 -0.04 0.00 -0.52 0.00 0.00 55.73 52.90 1qgb s ARG 36 Cb -0.13 -1.58 0.04 0.00 0.52 0.00 0.00 34.95 33.79 1qgb s ARG 36 CO 0.02 -0.32 0.18 0.99 0.02 0.00 0.00 175.30 176.19 1qgb s THR 37 N -2.84 -0.03 -0.14 0.02 2.01 -1.26 0.18 115.64 113.57 1qgb s THR 37 Ca 0.12 0.13 -0.20 0.00 0.31 0.00 0.00 61.69 62.05 1qgb s THR 37 Cb 0.03 -0.28 0.05 0.00 0.01 0.00 0.00 72.50 72.31 1qgb s THR 37 CO 0.06 0.05 0.52 -0.47 -0.69 0.00 0.00 174.62 174.09 1qgb s TYR 38 N 0.93 -0.52 -1.40 4.92 5.04 -0.82 -4.89 117.35 120.60 1qgb s TYR 38 Ca -0.07 1.16 0.00 0.00 -2.44 0.00 0.00 57.07 55.72 1qgb s TYR 38 Cb -0.09 0.22 0.00 0.00 0.35 0.00 0.00 41.96 42.44 1qgb s TYR 38 CO -0.05 -0.36 0.00 1.28 -1.34 0.00 0.00 175.55 175.08 1qgb n LEU 39 N 2.18 -1.17 -2.00 6.97 7.99 -1.26 -2.49 117.00 127.23 1qgb n LEU 39 Ca -0.16 0.25 -0.12 0.00 -0.01 0.00 0.00 56.01 55.97 1qgb n LEU 39 Cb 0.56 -2.09 0.04 0.00 -0.11 0.00 0.00 43.42 41.82 1qgb n LEU 39 CO 0.14 -0.58 0.10 0.61 -1.51 0.00 0.00 177.39 176.15 1qgb n GLY 40 N -1.21 0.15 3.30 -0.72 0.00 -1.26 -5.03 105.19 100.42 1qgb n GLY 40 Ca -0.15 -0.22 -0.13 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.09 -0.25 0.55 1.61 0.01 -1.04 -5.15 114.94 107.58 1qgb s ASN 41 Ca 0.27 0.03 -0.22 0.00 -0.71 0.00 0.00 52.86 52.23 1qgb s ASN 41 Cb -0.12 0.39 -0.05 0.00 0.41 0.00 0.00 41.25 41.89 1qgb s ASN 41 CO 0.33 -0.60 1.35 0.00 -1.51 0.00 0.00 177.10 176.68 1qgb s ALA 42 N -2.13 2.80 0.08 0.60 0.00 -1.26 -1.95 121.76 119.90 1qgb s ALA 42 Ca -0.08 1.32 -0.03 0.00 0.00 0.00 0.00 51.96 53.17 1qgb s ALA 42 Cb -0.02 -3.57 -0.03 0.00 0.00 0.00 0.00 23.12 19.51 1qgb s ALA 42 CO -0.00 -1.38 0.06 -0.51 0.00 0.00 0.00 175.76 173.93 1qgb s LEU 43 N -3.57 1.98 -0.10 0.00 1.02 0.47 -4.08 118.68 114.40 1qgb s LEU 43 Ca 0.72 -0.95 0.01 0.00 0.02 0.00 0.00 54.13 53.92 1qgb s LEU 43 Cb -0.40 0.49 0.02 0.00 0.02 0.00 0.00 46.19 46.32 1qgb s LEU 43 CO 0.47 -0.68 -0.10 -0.69 0.02 0.00 0.00 176.35 175.38 1qgb s VAL 44 N -3.94 1.10 0.24 -1.59 1.01 -1.20 0.09 120.40 116.12 1qgb s VAL 44 Ca 0.11 -0.38 0.08 0.00 0.00 0.00 0.00 61.98 61.79 1qgb s VAL 44 Cb 0.07 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 1qgb s VAL 44 CO -0.07 0.37 0.07 0.00 0.00 0.00 0.00 175.10 175.47 1qgb s THR 46 N -2.12 -0.39 0.36 0.00 2.01 -1.26 -2.29 115.64 111.94 1qgb s THR 46 Ca 0.31 0.27 -0.26 0.00 0.31 0.00 0.00 61.69 62.33 1qgb s THR 46 Cb -0.08 -0.43 -0.09 0.00 0.01 0.00 0.00 72.50 71.91 1qgb s THR 46 CO 0.22 0.11 1.08 0.00 -0.69 0.00 0.00 174.62 175.34 1qgb n TYR 48 N 0.37 0.00 0.00 0.00 4.02 0.52 -2.30 117.16 119.77 1qgb n TYR 48 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.92 1qgb n TYR 48 Cb 0.47 -0.02 0.00 0.00 -0.02 0.00 0.00 39.34 39.77 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 2.70 0.39 3.57 2.72 0.00 -1.25 -4.68 105.19 108.63 1qgb n GLY 49 Ca -0.01 -2.23 -0.35 0.00 0.00 0.00 0.00 46.02 43.43 1qgb n GLY 49 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qgb s GLY 50 N 0.00 0.83 0.00 -0.02 0.00 -1.26 -2.22 107.32 104.65 1qgb s GLY 50 Ca 0.00 -2.17 0.00 0.00 0.00 0.00 0.00 44.72 42.55 1qgb s GLY 50 CO 0.00 3.09 0.00 -1.26 0.00 0.00 0.00 173.10 174.93 1qgb n SER 51 N 11.27 0.00 0.02 1.64 2.88 -1.26 -4.94 113.62 123.23 1qgb n SER 51 Ca 0.41 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.87 1qgb n SER 51 Cb 0.48 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.81 1qgb n SER 51 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1qgb h ARG 52 N 0.00 0.00 0.00 -1.46 3.08 -1.88 -3.49 114.38 110.63 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 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1qgb h ARG 52 CO 0.00 0.74 0.00 0.41 -1.07 0.00 0.00 179.97 180.05 1qgb n GLY 53 N 1.45 1.77 3.33 0.04 0.00 -0.94 -4.77 105.19 106.07 1qgb n GLY 53 Ca -0.08 0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 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 0.00 -0.30 -0.37 1.61 -0.12 -1.26 0.20 117.98 117.74 1qgb s PHE 54 Ca 0.00 0.30 0.00 0.00 -0.05 0.00 0.00 56.93 57.18 1qgb s PHE 54 Cb 0.00 0.24 0.12 0.00 -0.63 0.00 0.00 43.02 42.75 1qgb s PHE 54 CO 0.00 -0.57 0.18 1.21 -0.05 0.00 0.00 175.22 175.99 1qgb s ASN 55 N -1.92 3.63 0.97 1.98 3.84 -1.24 -4.93 114.94 117.27 1qgb s ASN 55 Ca -0.06 -2.12 -0.12 0.00 0.21 0.00 0.00 52.86 50.77 1qgb s ASN 55 Cb -0.01 -0.80 0.17 0.00 -0.55 0.00 0.00 41.25 40.06 1qgb s ASN 55 CO -0.01 -0.34 1.09 0.00 -2.79 0.00 0.00 177.10 175.05 1qgb n GLU 57 N -4.15 0.00 -0.88 0.00 2.13 -0.85 -4.93 120.64 111.96 1qgb n GLU 57 Ca 0.06 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.88 1qgb n GLU 57 Cb 0.56 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.27 1qgb n GLU 57 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1qgb n SER 58 N -0.03 0.00 -3.18 4.31 2.88 -1.26 -4.53 113.62 111.81 1qgb n SER 58 Ca 0.00 -0.72 0.04 0.00 -1.33 0.00 0.00 58.87 56.86 1qgb n SER 58 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 1qgb n SER 58 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1qgb s LYS 59 N -1.15 0.44 0.00 -1.46 2.36 -1.26 -3.26 119.74 115.41 1qgb s LYS 59 Ca 0.00 0.81 0.00 0.00 -2.55 0.00 0.00 55.97 54.23 1qgb s LYS 59 Cb 0.00 0.45 0.00 0.00 -1.05 0.00 0.00 37.83 37.23 1qgb s LYS 59 CO 0.00 -0.46 0.00 -2.30 1.55 0.00 0.00 175.35 174.14 1qgb n PRO 60 N 5.43 1.19 0.02 4.03 -0.02 -1.26 -4.93 135.00 139.46 1qgb n PRO 60 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 1qgb n PRO 60 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.00 1qgb n PRO 60 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1qgb n GLU 61 N -0.35 0.00 -4.42 -0.52 2.13 -1.26 -5.12 120.64 111.10 1qgb n GLU 61 Ca 0.00 0.00 -0.21 0.00 0.66 0.00 0.00 57.16 57.61 1qgb n GLU 61 Cb 0.00 -0.18 -0.10 0.00 0.27 0.00 0.00 31.44 31.43 1qgb n GLU 61 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1qgb s ALA 62 N -2.00 2.34 -0.25 4.31 0.00 -1.26 -5.04 121.76 119.85 1qgb s ALA 62 Ca 0.00 -1.87 0.22 0.00 0.00 0.00 0.00 51.96 50.31 1qgb s ALA 62 Cb 0.00 0.11 -0.14 0.00 0.00 0.00 0.00 23.12 23.10 1qgb s ALA 62 CO 0.00 -0.03 0.81 -1.91 0.00 0.00 0.00 175.76 174.63 1qgb n GLU 63 N -0.56 0.55 0.00 0.00 2.13 -1.26 -4.95 120.64 116.55 1qgb n GLU 63 Ca -0.06 -0.04 0.00 0.00 0.66 0.00 0.00 57.16 57.72 1qgb n GLU 63 Cb 0.63 -1.65 0.00 0.00 0.27 0.00 0.00 31.44 30.69 1qgb n GLU 63 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1qgb n GLU 64 N -2.33 -1.11 -0.45 5.31 2.13 -1.26 -4.29 120.64 118.64 1qgb n GLU 64 Ca -0.01 0.00 0.06 0.00 0.66 0.00 0.00 57.16 57.87 1qgb n GLU 64 Cb 0.53 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.22 1qgb n GLU 64 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1qgb n THR 65 N -2.48 0.00 -2.13 6.31 -2.24 -1.26 -4.71 114.28 107.77 1qgb n THR 65 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1qgb n THR 65 Cb 0.00 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.08 1qgb n THR 65 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qgb s PHE 67 N -1.28 -0.96 -0.82 0.00 2.19 -1.26 -4.41 117.98 111.44 1qgb s PHE 67 Ca 0.00 -0.25 -0.19 0.00 0.33 0.00 0.00 56.93 56.82 1qgb s PHE 67 Cb 0.00 0.19 -0.20 0.00 -1.31 0.00 0.00 43.02 41.70 1qgb s PHE 67 CO 0.00 -0.74 2.14 -3.47 1.83 0.00 0.00 175.22 174.99 1qgb n ASP 68 N 2.98 0.47 -0.09 6.13 2.03 -1.24 -4.70 116.55 122.13 1qgb n ASP 68 Ca 0.14 -1.43 0.25 0.00 0.52 0.00 0.00 54.79 54.26 1qgb n ASP 68 Cb 0.61 -1.28 0.71 0.00 -0.72 0.00 0.00 41.12 40.44 1qgb n ASP 68 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 1qgb h LYS 69 N 11.68 0.00 -0.92 -0.67 2.10 -1.95 0.86 116.57 127.67 1qgb h LYS 69 Ca 0.01 0.00 0.12 0.00 -2.00 0.00 0.00 60.65 58.78 1qgb h LYS 69 Cb 1.03 0.00 -0.13 0.00 -0.90 0.00 0.00 32.23 32.23 1qgb h LYS 69 CO 1.16 0.00 -0.43 0.66 -2.00 0.00 0.00 179.45 178.84 1qgb n TYR 70 N -4.29 -0.15 -0.02 0.07 4.02 -1.26 -2.96 117.16 112.57 1qgb n TYR 70 Ca 0.14 1.14 0.00 0.00 -0.01 0.00 0.00 57.90 59.17 1qgb n TYR 70 Cb 0.80 -0.73 0.00 0.00 -0.02 0.00 0.00 39.34 39.38 1qgb n TYR 70 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 176.86 173.48 1qgb n THR 71 N -5.27 0.00 -1.49 -0.72 5.66 -0.96 -5.06 114.28 106.44 1qgb n THR 71 Ca 0.06 -0.44 0.00 0.00 -3.05 0.00 0.00 64.05 60.63 1qgb n THR 71 Cb 0.32 1.02 0.00 0.00 -1.55 0.00 0.00 70.33 70.12 1qgb n THR 71 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1qgb n GLY 72 N 0.70 -0.25 0.00 1.09 0.00 0.29 -5.10 105.19 101.93 1qgb n GLY 72 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1qgb n GLY 72 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qgb n ASN 73 N -1.01 1.76 -3.48 1.61 5.03 -1.10 -4.96 115.26 113.11 1qgb n ASN 73 Ca 0.00 -0.29 -0.21 0.00 0.87 0.00 0.00 54.58 54.96 1qgb n ASN 73 Cb 0.50 0.00 -0.13 0.00 -1.02 0.00 0.00 39.78 39.13 1qgb n ASN 73 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1qgb s THR 74 N 0.22 -0.28 0.28 3.41 2.01 -1.26 -3.69 115.64 116.32 1qgb s THR 74 Ca 0.00 -0.35 0.11 0.00 0.31 0.00 0.00 61.69 61.76 1qgb s THR 74 Cb 0.00 -0.82 -0.05 0.00 0.01 0.00 0.00 72.50 71.64 1qgb s THR 74 CO 0.00 -0.39 -0.19 -0.31 -0.69 0.00 0.00 174.62 173.05 1qgb s TYR 75 N 2.28 2.24 0.15 4.92 2.02 -1.26 -4.99 117.35 122.71 1qgb s TYR 75 Ca 0.08 -0.37 -0.12 0.00 -0.37 0.00 0.00 57.07 56.29 1qgb s TYR 75 Cb -0.15 -1.00 -0.07 0.00 -0.40 0.00 0.00 41.96 40.34 1qgb s TYR 75 CO -0.23 0.67 0.51 1.03 -1.57 0.00 0.00 175.55 175.96 1qgb s ARG 76 N -3.53 3.86 0.38 -0.62 1.81 -1.26 -1.19 118.95 118.40 1qgb s ARG 76 Ca 0.29 0.33 0.20 0.00 -1.72 0.00 0.00 55.73 54.83 1qgb s ARG 76 Cb -0.04 -2.87 1.17 0.00 -0.45 0.00 0.00 34.95 32.77 1qgb s ARG 76 CO 0.14 0.45 1.69 0.28 -0.68 0.00 0.00 175.30 177.19 1qgb h VAL 77 N 2.57 0.34 -0.51 3.52 2.07 -1.80 1.51 116.25 123.93 1qgb h VAL 77 Ca -0.48 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 66.94 1qgb h VAL 77 Cb 1.19 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1qgb h VAL 77 CO 0.67 0.05 0.00 0.61 0.02 0.00 0.00 177.57 178.93 1qgb n GLY 78 N -1.41 2.16 3.21 2.17 0.00 -1.26 -4.42 105.19 105.63 1qgb n GLY 78 Ca 0.31 -0.67 -0.40 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.81 5.64 0.36 1.61 2.15 0.51 -5.08 116.67 121.06 1qgb s ASP 79 Ca 0.40 -1.87 -0.26 0.00 0.43 0.00 0.00 52.55 51.25 1qgb s ASP 79 Cb 0.26 -1.99 -0.09 0.00 -0.30 0.00 0.00 42.92 40.80 1qgb s ASP 79 CO 0.20 -0.66 1.09 0.42 -0.17 0.00 0.00 175.17 176.05 1qgb s THR 80 N 1.35 3.53 -0.20 1.71 -4.23 -1.26 -4.21 115.64 112.32 1qgb s THR 80 Ca 0.06 1.31 -0.03 0.00 -1.18 0.00 0.00 61.69 61.85 1qgb s THR 80 Cb -0.25 -3.75 0.06 0.00 1.34 0.00 0.00 72.50 69.90 1qgb s THR 80 CO -0.01 0.14 0.03 -0.72 -0.54 0.00 0.00 174.62 173.52 1qgb s TYR 81 N -1.44 1.13 1.08 3.99 1.13 -0.49 -5.03 117.35 117.72 1qgb s TYR 81 Ca 0.53 -0.93 -0.19 0.00 -1.41 0.00 0.00 57.07 55.07 1qgb s TYR 81 Cb -0.27 -1.07 0.05 0.00 -1.10 0.00 0.00 41.96 39.57 1qgb s TYR 81 CO 0.34 -0.62 -0.15 -1.91 -2.51 0.00 0.00 175.55 170.70 1qgb n GLU 82 N 5.02 -1.21 -2.90 -3.49 2.13 -1.26 -3.74 120.64 115.18 1qgb n GLU 82 Ca -0.09 -0.34 -0.00 0.00 0.66 0.00 0.00 57.16 57.39 1qgb n GLU 82 Cb 0.47 -1.62 0.01 0.00 0.27 0.00 0.00 31.44 30.57 1qgb n GLU 82 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1qgb s ARG 83 N -3.26 0.56 -0.84 5.31 3.52 -1.21 -4.83 118.95 118.20 1qgb s ARG 83 Ca 0.53 -0.33 -0.25 0.00 -0.13 0.00 0.00 55.73 55.55 1qgb s ARG 83 Cb -0.10 0.03 -0.05 0.00 -1.56 0.00 0.00 34.95 33.27 1qgb s ARG 83 CO 0.67 -0.76 1.96 -1.25 -0.81 0.00 0.00 175.30 175.11 1qgb s PRO 84 N 1.57 2.51 -0.05 5.12 0.04 -1.26 -3.34 135.00 139.58 1qgb s PRO 84 Ca 0.19 -0.06 0.03 0.00 0.04 0.00 0.00 61.00 61.20 1qgb s PRO 84 Cb 0.02 -4.92 0.01 0.00 0.04 0.00 0.00 34.50 29.64 1qgb s PRO 84 CO -0.10 -3.32 -0.13 0.15 0.04 0.00 0.00 177.00 173.64 1qgb s LYS 85 N 7.13 1.64 -0.01 4.56 1.02 -1.26 -4.69 119.74 128.13 1qgb s LYS 85 Ca 0.71 -0.47 0.00 0.00 0.02 0.00 0.00 55.97 56.24 1qgb s LYS 85 Cb -0.08 -1.39 0.00 0.00 -0.52 0.00 0.00 37.83 35.84 1qgb s LYS 85 CO 0.04 0.11 0.00 -3.47 -0.92 0.00 0.00 175.35 171.11 1qgb n ASP 86 N 3.52 -3.75 -1.68 2.83 -0.08 -1.26 -3.00 116.55 113.12 1qgb n ASP 86 Ca -0.21 0.00 -0.14 0.00 -1.51 0.00 0.00 54.79 52.93 1qgb n ASP 86 Cb 0.53 -1.27 -0.00 0.00 2.34 0.00 0.00 41.12 42.72 1qgb n ASP 86 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1qgb n SER 87 N -0.22 -4.42 0.00 1.67 2.88 -1.26 -4.87 113.62 107.40 1qgb n SER 87 Ca -0.00 -0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 1qgb n SER 87 Cb 0.13 -3.56 0.00 0.00 -0.75 0.00 0.00 64.21 60.03 1qgb n SER 87 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 175.04 174.61 1qgb n MET 88 N -2.43 3.88 -1.94 -1.46 0.00 -1.16 -5.13 117.12 108.87 1qgb n MET 88 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.54 1qgb n MET 88 Cb 0.63 -0.99 0.00 0.00 0.00 0.00 0.00 33.22 32.86 1qgb n MET 88 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 175.97 175.08 1qgb n ILE 89 N -1.96 -6.37 -4.07 1.12 5.41 -1.25 -4.87 119.36 107.37 1qgb n ILE 89 Ca 0.00 2.68 -0.18 0.00 1.00 0.00 0.00 62.75 66.25 1qgb n ILE 89 Cb 0.48 -3.55 -0.16 0.00 -0.71 0.00 0.00 39.64 35.70 1qgb n ILE 89 CO 0.00 0.00 0.00 0.26 0.00 0.00 0.00 176.55 176.81 1qgb s TRP 90 N -1.84 0.50 -0.86 1.39 0.52 -1.21 -4.36 118.94 113.08 1qgb s TRP 90 Ca 0.00 -0.09 -0.09 0.00 0.02 0.00 0.00 56.10 55.94 1qgb s TRP 90 Cb 0.00 -0.46 -0.07 0.00 -1.15 0.00 0.00 33.47 31.78 1qgb s TRP 90 CO 0.00 -0.12 2.03 -0.25 0.02 0.00 0.00 176.95 178.64 1qgb n ASP 91 N 3.79 4.25 -4.62 2.95 8.00 0.60 -3.34 116.55 128.18 1qgb n ASP 91 Ca -0.23 -2.39 -0.46 0.00 0.71 0.00 0.00 54.79 52.42 1qgb n ASP 91 Cb 0.52 -1.08 -0.03 0.00 -0.02 0.00 0.00 41.12 40.52 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 -0.50 1.33 -0.36 0.00 2.01 0.06 -1.40 115.64 116.77 1qgb s THR 93 Ca 0.66 -0.53 -0.29 0.00 0.31 0.00 0.00 61.69 61.83 1qgb s THR 93 Cb -0.72 -1.24 -0.33 0.00 0.01 0.00 0.00 72.50 70.22 1qgb s THR 93 CO 0.55 0.41 1.76 0.00 -0.69 0.00 0.00 174.62 176.65 1qgb n ILE 95 N 7.63 4.91 0.00 0.00 5.41 -1.26 -4.21 119.36 131.84 1qgb n ILE 95 Ca 0.45 -3.93 0.00 0.00 1.00 0.00 0.00 62.75 60.27 1qgb n ILE 95 Cb 0.44 -2.09 0.00 0.00 -0.71 0.00 0.00 39.64 37.28 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 1.87 1.25 2.75 7.39 0.00 -1.26 -1.38 105.19 115.81 1qgb n GLY 96 Ca 0.63 -0.75 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.29 5.83 -0.14 4.61 0.00 -1.26 -4.10 120.51 125.16 1qgb n ALA 97 Ca 0.00 -4.35 0.00 0.00 0.00 0.00 0.00 53.44 49.09 1qgb n ALA 97 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 17.95 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 -0.39 0.62 1.96 0.00 0.00 -1.26 -4.80 105.19 101.31 1qgb n GLY 98 Ca 0.46 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.47 1qgb n GLY 98 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1qgb n ARG 99 N -2.00 0.46 0.00 1.61 0.63 -1.26 -5.01 116.66 111.09 1qgb n ARG 99 Ca 0.00 -0.45 0.00 0.00 -0.92 0.00 0.00 57.85 56.48 1qgb n ARG 99 Cb 0.00 0.13 0.00 0.00 0.45 0.00 0.00 32.46 33.04 1qgb n ARG 99 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1qgb n GLY 100 N -0.53 0.14 0.00 5.14 0.00 -1.26 -5.04 105.19 103.64 1qgb n GLY 100 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1qgb n GLY 100 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1qgb n ARG 101 N -1.26 0.00 -1.28 1.61 1.85 -0.48 -4.93 116.66 112.17 1qgb n ARG 101 Ca 0.00 0.00 -0.32 0.00 -1.00 0.00 0.00 57.85 56.53 1qgb n ARG 101 Cb 0.00 0.00 -0.14 0.00 -1.05 0.00 0.00 32.46 31.27 1qgb n ARG 101 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 1qgb n ILE 102 N 0.00 0.00 -1.64 8.89 2.08 -1.24 -4.61 119.36 122.85 1qgb n ILE 102 Ca 0.00 -0.09 -0.32 0.00 0.56 0.00 0.00 62.75 62.90 1qgb n ILE 102 Cb 0.00 -0.34 0.05 0.00 -0.75 0.00 0.00 39.64 38.61 1qgb n ILE 102 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 1qgb s SER 103 N 6.07 5.14 -0.21 4.38 0.15 -1.10 -4.82 113.70 123.31 1qgb s SER 103 Ca 1.16 1.82 -0.04 0.00 0.70 0.00 0.00 55.95 59.59 1qgb s SER 103 Cb -1.00 -2.53 0.11 0.00 -1.71 0.00 0.00 66.02 60.89 1qgb s SER 103 CO 0.43 -1.60 0.35 0.00 1.20 0.00 0.00 173.24 173.62 1qgb s THR 105 N 2.52 1.30 -0.16 0.00 -1.32 -1.26 -4.91 115.64 111.81 1qgb s THR 105 Ca 0.06 -1.68 -0.22 0.00 -1.21 0.00 0.00 61.69 58.64 1qgb s THR 105 Cb -0.14 -1.49 -0.03 0.00 -1.51 0.00 0.00 72.50 69.34 1qgb s THR 105 CO -0.13 -0.41 0.68 -0.63 -2.21 0.00 0.00 174.62 171.92 1qgb s ILE 106 N -2.08 5.00 -0.30 5.08 1.01 -1.26 0.22 121.20 128.88 1qgb s ILE 106 Ca 0.08 1.33 -0.16 0.00 0.00 0.00 0.00 60.65 61.89 1qgb s ILE 106 Cb -0.05 -4.00 0.18 0.00 0.01 0.00 0.00 42.46 38.60 1qgb s ILE 106 CO 0.03 0.13 1.10 0.00 0.00 0.00 0.00 174.94 176.20 1qgb s ALA 107 N 1.66 -3.06 0.26 9.38 0.00 -1.26 -4.92 121.76 123.82 1qgb s ALA 107 Ca 0.32 1.83 0.05 0.00 0.00 0.00 0.00 51.96 54.16 1qgb s ALA 107 Cb -0.16 -2.23 -0.06 0.00 0.00 0.00 0.00 23.12 20.67 1qgb s ALA 107 CO 0.12 -1.08 -0.01 -0.80 0.00 0.00 0.00 175.76 173.99 1qgb s ASN 108 N 2.44 2.22 0.00 0.00 0.02 -1.26 -4.65 114.94 113.71 1qgb s ASN 108 Ca -0.01 -1.23 0.00 0.00 -1.02 0.00 0.00 52.86 50.60 1qgb s ASN 108 Cb -0.05 -0.06 0.00 0.00 0.02 0.00 0.00 41.25 41.15 1qgb s ASN 108 CO -0.16 -0.47 0.36 -1.14 0.02 0.00 0.00 177.10 175.72