#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 0.53 0.00 -1.46 2.20 -1.26 -5.17 119.74 114.58 1qgb s LYS 18 Ca 0.00 0.99 0.00 0.00 -0.36 0.00 0.00 55.97 56.60 1qgb s LYS 18 Cb 0.00 0.06 0.00 0.00 -1.51 0.00 0.00 37.83 36.38 1qgb s LYS 18 CO 0.00 -0.16 0.00 -2.30 -0.36 0.00 0.00 175.35 172.53 1qgb n PRO 19 N 4.32 -0.16 -0.32 4.03 -0.02 -1.26 -4.96 135.00 136.64 1qgb n PRO 19 Ca -0.22 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.26 1qgb n PRO 19 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.05 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 0.00 -2.98 3.89 -1.23 0.00 -1.26 -5.02 105.19 98.59 1qgb n GLY 20 Ca 0.00 -0.88 -0.30 0.00 0.00 0.00 0.00 46.02 44.84 1qgb n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qgb n TYR 22 N -3.92 0.00 -3.63 0.00 9.36 -1.26 -4.26 117.16 113.45 1qgb n TYR 22 Ca 0.17 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.27 1qgb n TYR 22 Cb 0.59 0.00 -0.05 0.00 -0.63 0.00 0.00 39.34 39.24 1qgb n TYR 22 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 1qgb s ASP 23 N 0.00 -0.29 -0.80 2.98 1.11 -0.25 -4.89 116.67 114.53 1qgb s ASP 23 Ca 0.00 -0.10 0.00 0.00 0.18 0.00 0.00 52.55 52.63 1qgb s ASP 23 Cb 0.00 0.46 0.00 0.00 1.07 0.00 0.00 42.92 44.45 1qgb s ASP 23 CO 0.00 -0.75 0.00 -3.20 1.18 0.00 0.00 175.17 172.40 1qgb n ASN 24 N 0.19 -2.88 0.00 0.27 2.85 -1.26 0.18 115.26 114.61 1qgb n ASN 24 Ca -0.17 0.27 0.00 0.00 -0.11 0.00 0.00 54.58 54.56 1qgb n ASN 24 Cb 0.61 -2.57 0.00 0.00 1.24 0.00 0.00 39.78 39.06 1qgb n ASN 24 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1qgb n GLY 25 N -0.58 1.71 3.78 8.20 0.00 -1.26 -5.00 105.19 112.03 1qgb n GLY 25 Ca -0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.00 4.16 -0.60 1.61 1.02 0.47 -5.05 119.74 121.35 1qgb s LYS 26 Ca 0.00 0.49 -0.02 0.00 0.02 0.00 0.00 55.97 56.46 1qgb s LYS 26 Cb 0.00 -3.32 0.16 0.00 -0.52 0.00 0.00 37.83 34.15 1qgb s LYS 26 CO 0.00 0.44 0.41 -1.58 -0.92 0.00 0.00 175.35 173.70 1qgb s HIS 27 N -0.32 3.39 0.20 3.18 2.46 -1.26 -1.09 115.29 121.84 1qgb s HIS 27 Ca 0.26 -2.77 -0.22 0.00 0.47 0.00 0.00 55.06 52.80 1qgb s HIS 27 Cb -0.16 -3.15 -0.08 0.00 -0.13 0.00 0.00 32.58 29.05 1qgb s HIS 27 CO 0.13 -0.83 0.75 0.71 -2.47 0.00 0.00 174.74 173.02 1qgb s TYR 28 N -0.05 3.75 0.41 3.88 1.51 -1.26 -5.01 117.35 120.58 1qgb s TYR 28 Ca 0.17 1.50 -0.23 0.00 -1.01 0.00 0.00 57.07 57.49 1qgb s TYR 28 Cb -0.21 -2.68 -0.09 0.00 -0.11 0.00 0.00 41.96 38.86 1qgb s TYR 28 CO -0.03 0.41 1.02 -0.65 -1.11 0.00 0.00 175.55 175.19 1qgb s GLN 29 N -1.63 4.16 0.50 -0.62 -0.21 -1.26 -3.79 119.66 116.82 1qgb s GLN 29 Ca 0.40 1.41 -0.20 0.00 0.02 0.00 0.00 55.36 56.99 1qgb s GLN 29 Cb -0.19 -2.45 -0.10 0.00 1.00 0.00 0.00 33.01 31.27 1qgb s GLN 29 CO 0.23 -0.12 0.66 -0.89 -2.12 0.00 0.00 175.29 173.04 1qgb n ILE 30 N -0.22 2.29 -0.93 1.08 2.08 -1.26 -0.71 119.36 121.69 1qgb n ILE 30 Ca 0.06 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.87 1qgb n ILE 30 Cb 0.51 -0.77 0.00 0.00 -0.75 0.00 0.00 39.64 38.63 1qgb n ILE 30 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1qgb n ASN 31 N 0.61 -3.83 -4.89 4.38 3.02 -0.34 -4.95 115.26 109.25 1qgb n ASN 31 Ca 0.11 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.36 1qgb n ASN 31 Cb 0.44 -2.25 -0.04 0.00 -0.61 0.00 0.00 39.78 37.31 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 -1.15 3.69 -0.04 3.52 0.74 0.12 -4.83 119.66 121.71 1qgb s GLN 32 Ca 0.00 0.06 0.05 0.00 0.05 0.00 0.00 55.36 55.52 1qgb s GLN 32 Cb 0.00 -2.71 -0.01 0.00 1.10 0.00 0.00 33.01 31.40 1qgb s GLN 32 CO 0.00 0.32 -0.19 -0.65 -0.55 0.00 0.00 175.29 174.22 1qgb s GLN 33 N -3.05 1.85 0.04 1.67 -0.21 -1.26 -0.67 119.66 118.03 1qgb s GLN 33 Ca 0.44 -0.68 0.01 0.00 0.02 0.00 0.00 55.36 55.15 1qgb s GLN 33 Cb -0.11 -1.64 -0.00 0.00 1.00 0.00 0.00 33.01 32.26 1qgb s GLN 33 CO 0.25 0.31 0.02 -2.67 -2.12 0.00 0.00 175.29 171.09 1qgb n TRP 34 N 2.97 -0.03 -4.17 0.91 2.14 -0.81 -4.99 117.44 113.46 1qgb n TRP 34 Ca -0.17 -0.27 -0.24 0.00 2.07 0.00 0.00 57.50 58.88 1qgb n TRP 34 Cb 0.53 0.01 -0.17 0.00 -0.81 0.00 0.00 31.31 30.87 1qgb n TRP 34 CO 0.00 0.00 0.00 -1.21 2.07 0.00 0.00 177.69 178.55 1qgb s GLU 35 N -2.15 1.36 0.42 -2.67 2.02 -1.26 -1.12 118.70 115.30 1qgb s GLU 35 Ca 0.03 -0.24 0.04 0.00 0.02 0.00 0.00 54.97 54.82 1qgb s GLU 35 Cb 0.00 -1.33 -0.05 0.00 0.10 0.00 0.00 34.13 32.85 1qgb s GLU 35 CO 0.02 -0.14 0.03 0.50 0.02 0.00 0.00 175.26 175.70 1qgb s ARG 36 N 1.23 1.95 0.03 1.61 3.00 0.57 -4.92 118.95 122.42 1qgb s ARG 36 Ca -0.05 -2.15 0.06 0.00 -1.00 0.00 0.00 55.73 52.60 1qgb s ARG 36 Cb -0.14 -1.33 -0.02 0.00 0.00 0.00 0.00 34.95 33.46 1qgb s ARG 36 CO -0.02 -0.20 -0.18 0.99 0.00 0.00 0.00 175.30 175.88 1qgb s THR 37 N -2.93 1.47 -0.24 4.11 2.01 -1.26 0.13 115.64 118.93 1qgb s THR 37 Ca 0.27 -1.05 -0.11 0.00 0.31 0.00 0.00 61.69 61.12 1qgb s THR 37 Cb 0.07 -1.27 0.09 0.00 0.01 0.00 0.00 72.50 71.39 1qgb s THR 37 CO 0.13 0.20 0.54 -0.47 -0.69 0.00 0.00 174.62 174.34 1qgb s TYR 38 N -0.72 -0.94 -0.29 4.92 6.14 -1.15 -4.88 117.35 120.43 1qgb s TYR 38 Ca 0.06 1.81 0.00 0.00 0.64 0.00 0.00 57.07 59.58 1qgb s TYR 38 Cb -0.08 0.50 0.00 0.00 0.42 0.00 0.00 41.96 42.80 1qgb s TYR 38 CO 0.01 -0.50 0.00 -0.11 0.64 0.00 0.00 175.55 175.59 1qgb n LEU 39 N 4.81 -0.05 -0.77 6.97 7.94 -1.26 -3.35 117.00 131.29 1qgb n LEU 39 Ca -0.16 0.07 0.00 0.00 -1.11 0.00 0.00 56.01 54.80 1qgb n LEU 39 Cb 0.54 -1.11 0.00 0.00 0.53 0.00 0.00 43.42 43.37 1qgb n LEU 39 CO 0.01 -0.29 0.00 0.61 -1.11 0.00 0.00 177.39 176.60 1qgb n GLY 40 N -2.05 0.67 3.47 -3.96 0.00 -1.26 -5.08 105.19 96.98 1qgb n GLY 40 Ca -0.03 -0.57 -0.10 0.00 0.00 0.00 0.00 46.02 45.33 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 -3.00 -0.04 0.02 1.61 0.01 -1.21 -5.15 114.94 107.18 1qgb s ASN 41 Ca 0.00 -0.94 -0.27 0.00 -0.71 0.00 0.00 52.86 50.94 1qgb s ASN 41 Cb 0.00 0.52 -0.04 0.00 0.41 0.00 0.00 41.25 42.14 1qgb s ASN 41 CO 0.00 -1.03 0.85 0.00 -1.51 0.00 0.00 177.10 175.41 1qgb s ALA 42 N -4.01 3.27 0.02 0.60 0.00 -1.26 -2.95 121.76 117.43 1qgb s ALA 42 Ca 0.22 0.38 0.02 0.00 0.00 0.00 0.00 51.96 52.58 1qgb s ALA 42 Cb 0.01 -3.15 -0.02 0.00 0.00 0.00 0.00 23.12 19.97 1qgb s ALA 42 CO 0.06 -0.08 -0.06 -0.51 0.00 0.00 0.00 175.76 175.17 1qgb s LEU 43 N 0.49 2.16 -0.12 0.00 1.02 0.35 -2.85 118.68 119.73 1qgb s LEU 43 Ca 0.44 -0.37 0.01 0.00 0.02 0.00 0.00 54.13 54.22 1qgb s LEU 43 Cb -0.21 -0.17 -0.01 0.00 0.02 0.00 0.00 46.19 45.82 1qgb s LEU 43 CO 0.25 -0.12 -0.14 -0.69 0.02 0.00 0.00 176.35 175.67 1qgb s VAL 44 N -0.91 2.94 0.36 -1.59 1.01 -0.26 0.21 120.40 122.16 1qgb s VAL 44 Ca -0.06 -0.71 0.08 0.00 0.00 0.00 0.00 61.98 61.29 1qgb s VAL 44 Cb -0.07 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 1qgb s VAL 44 CO 0.00 0.53 0.16 0.00 0.00 0.00 0.00 175.10 175.79 1qgb s THR 46 N -2.47 0.07 -0.02 0.00 2.01 -1.24 -1.93 115.64 112.06 1qgb s THR 46 Ca 0.39 -0.57 0.00 0.00 0.31 0.00 0.00 61.69 61.83 1qgb s THR 46 Cb -0.01 -0.34 -0.04 0.00 0.01 0.00 0.00 72.50 72.12 1qgb s THR 46 CO 0.23 -0.31 0.02 0.00 -0.69 0.00 0.00 174.62 173.87 1qgb n TYR 48 N 1.50 0.00 0.00 0.00 4.02 -1.26 -1.20 117.16 120.22 1qgb n TYR 48 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.74 1qgb n TYR 48 Cb 0.53 0.18 0.00 0.00 -0.02 0.00 0.00 39.34 40.03 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 2.29 2.89 0.00 2.72 0.00 -1.26 -4.59 105.19 107.24 1qgb n GLY 49 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 0.00 -1.29 0.00 -0.02 0.00 -1.26 -4.41 105.19 98.20 1qgb n GLY 50 Ca 0.00 -1.30 0.10 0.00 0.00 0.00 0.00 46.02 44.82 1qgb n GLY 50 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1qgb n SER 51 N 0.00 0.00 -0.21 1.61 2.88 -1.26 -3.23 113.62 113.41 1qgb n SER 51 Ca 0.00 0.03 -0.03 0.00 -1.33 0.00 0.00 58.87 57.54 1qgb n SER 51 Cb 0.00 -0.31 0.16 0.00 -0.75 0.00 0.00 64.21 63.31 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 1.01 -3.46 -1.46 3.08 -1.95 -3.49 114.38 108.12 1qgb h ARG 52 Ca 0.00 -0.16 0.19 0.00 0.07 0.00 0.00 59.98 60.08 1qgb h ARG 52 Cb 0.22 -0.18 -0.11 0.00 0.08 0.00 0.00 29.97 29.98 1qgb h ARG 52 CO 0.00 0.81 -1.11 0.41 -1.07 0.00 0.00 179.97 179.01 1qgb n GLY 53 N -1.00 -3.65 3.70 0.04 0.00 -1.20 -4.75 105.19 98.33 1qgb n GLY 53 Ca 0.06 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.68 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 -4.73 3.12 -0.19 1.61 -0.12 -1.25 -4.65 117.98 111.76 1qgb s PHE 54 Ca 0.00 1.06 0.01 0.00 -0.05 0.00 0.00 56.93 57.95 1qgb s PHE 54 Cb 0.00 -3.53 0.03 0.00 -0.63 0.00 0.00 43.02 38.88 1qgb s PHE 54 CO 0.00 -1.82 -0.18 -0.80 -0.05 0.00 0.00 175.22 172.37 1qgb s ASN 55 N 1.51 3.31 0.58 1.98 0.01 -1.22 -4.89 114.94 116.21 1qgb s ASN 55 Ca 0.60 -0.76 -0.03 0.00 -0.71 0.00 0.00 52.86 51.96 1qgb s ASN 55 Cb -0.29 -1.46 0.02 0.00 0.41 0.00 0.00 41.25 39.93 1qgb s ASN 55 CO 0.26 -0.04 0.85 0.00 -1.51 0.00 0.00 177.10 176.66 1qgb s GLU 57 N -4.90 0.76 -1.15 0.00 2.02 -0.08 -4.93 118.70 110.42 1qgb s GLU 57 Ca 0.55 -0.19 -0.21 0.00 0.02 0.00 0.00 54.97 55.14 1qgb s GLU 57 Cb -0.10 0.34 -0.07 0.00 0.10 0.00 0.00 34.13 34.40 1qgb s GLU 57 CO 0.42 -0.22 1.91 -1.13 0.02 0.00 0.00 175.26 176.25 1qgb n SER 58 N 1.07 3.37 -2.92 -0.19 3.41 -1.26 -1.11 113.62 115.99 1qgb n SER 58 Ca -0.21 -2.74 0.00 0.00 -0.26 0.00 0.00 58.87 55.66 1qgb n SER 58 Cb 0.57 -1.64 0.00 0.00 -0.26 0.00 0.00 64.21 62.88 1qgb n SER 58 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1qgb n LYS 59 N 8.00 -0.93 0.00 4.33 3.00 -1.13 -4.95 118.16 126.47 1qgb n LYS 59 Ca 0.47 1.03 0.00 0.00 -0.00 0.00 0.00 58.31 59.81 1qgb n LYS 59 Cb 0.45 -0.81 0.00 0.00 0.00 0.00 0.00 35.03 34.67 1qgb n LYS 59 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1qgb n PRO 60 N 2.09 -0.52 -0.81 1.64 -0.04 -1.26 -5.02 135.00 131.08 1qgb n PRO 60 Ca 0.00 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.50 1qgb n PRO 60 Cb 0.14 0.00 0.05 0.00 -0.04 0.00 0.00 33.50 33.65 1qgb n PRO 60 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1qgb n GLU 61 N -1.12 0.39 -1.60 0.54 0.28 -1.26 -5.10 120.64 112.77 1qgb n GLU 61 Ca 0.00 -1.88 -0.41 0.00 -0.16 0.00 0.00 57.16 54.71 1qgb n GLU 61 Cb 0.00 -0.61 0.02 0.00 1.43 0.00 0.00 31.44 32.28 1qgb n GLU 61 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1qgb n ALA 62 N -0.17 0.04 -2.65 -1.84 0.00 -1.26 -4.94 120.51 109.70 1qgb n ALA 62 Ca 0.07 0.17 -0.40 0.00 0.00 0.00 0.00 53.44 53.28 1qgb n ALA 62 Cb 0.85 -2.06 -0.06 0.00 0.00 0.00 0.00 19.45 18.18 1qgb n ALA 62 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1qgb s GLU 63 N -2.13 4.17 -0.19 0.00 2.12 -1.26 -5.04 118.70 116.38 1qgb s GLU 63 Ca 0.66 0.53 -0.07 0.00 0.36 0.00 0.00 54.97 56.45 1qgb s GLU 63 Cb -0.53 -3.60 0.08 0.00 0.26 0.00 0.00 34.13 30.35 1qgb s GLU 63 CO 0.55 -0.27 0.40 -1.21 -0.54 0.00 0.00 175.26 174.19 1qgb s GLU 64 N 2.02 0.32 0.01 4.30 8.01 -1.26 -4.82 118.70 127.29 1qgb s GLU 64 Ca 0.26 0.95 -0.05 0.00 0.01 0.00 0.00 54.97 56.15 1qgb s GLU 64 Cb -0.16 0.22 0.02 0.00 -4.31 0.00 0.00 34.13 29.90 1qgb s GLU 64 CO 0.10 -0.23 0.24 0.25 0.01 0.00 0.00 175.26 175.63 1qgb n THR 65 N 5.13 0.00 -3.72 3.63 -2.24 -1.26 -4.88 114.28 110.93 1qgb n THR 65 Ca -0.12 -0.06 -0.01 0.00 -2.27 0.00 0.00 64.05 61.59 1qgb n THR 65 Cb 0.51 0.13 -0.00 0.00 -2.10 0.00 0.00 70.33 68.86 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 -2.70 -1.64 -0.97 0.00 2.19 -1.26 -4.31 117.98 109.29 1qgb s PHE 67 Ca 0.15 1.47 -0.24 0.00 0.33 0.00 0.00 56.93 58.64 1qgb s PHE 67 Cb 0.01 0.47 -0.05 0.00 -1.31 0.00 0.00 43.02 42.15 1qgb s PHE 67 CO -0.00 -0.92 1.92 0.34 1.83 0.00 0.00 175.22 178.38 1qgb s ASP 68 N 2.85 5.22 0.32 6.13 2.15 0.55 -4.78 116.67 129.11 1qgb s ASP 68 Ca 0.17 -0.93 0.01 0.00 0.43 0.00 0.00 52.55 52.23 1qgb s ASP 68 Cb -0.13 -2.57 0.55 0.00 -0.30 0.00 0.00 42.92 40.47 1qgb s ASP 68 CO -0.22 -2.72 1.97 0.07 -0.17 0.00 0.00 175.17 174.10 1qgb h LYS 69 N 10.87 0.96 -0.81 4.34 2.10 -1.92 0.99 116.57 133.10 1qgb h LYS 69 Ca 0.13 -0.06 0.33 0.00 -2.00 0.00 0.00 60.65 59.05 1qgb h LYS 69 Cb 0.99 -0.22 -0.15 0.00 -0.90 0.00 0.00 32.23 31.96 1qgb h LYS 69 CO 1.23 0.63 0.40 0.66 -2.00 0.00 0.00 179.45 180.37 1qgb n TYR 70 N -4.44 0.91 0.00 0.07 4.01 -1.26 -2.12 117.16 114.33 1qgb n TYR 70 Ca 0.09 0.95 0.00 0.00 -0.16 0.00 0.00 57.90 58.79 1qgb n TYR 70 Cb 0.08 -1.35 0.00 0.00 -0.31 0.00 0.00 39.34 37.76 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 -4.85 0.00 0.00 -0.72 -1.04 -1.00 -5.04 114.28 101.64 1qgb n THR 71 Ca 0.30 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.31 1qgb n THR 71 Cb 1.00 -0.90 0.00 0.00 -1.82 0.00 0.00 70.33 68.61 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 2.83 1.25 3.99 3.41 0.00 0.34 -5.11 105.19 111.90 1qgb n GLY 72 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1qgb n GLY 72 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1qgb s ASN 73 N -2.00 4.53 -0.02 1.61 -0.87 -0.84 -4.88 114.94 112.46 1qgb s ASN 73 Ca 0.00 -0.36 0.02 0.00 -1.57 0.00 0.00 52.86 50.95 1qgb s ASN 73 Cb 0.00 -0.10 0.00 0.00 -0.02 0.00 0.00 41.25 41.13 1qgb s ASN 73 CO 0.00 -1.73 -0.08 -0.89 -2.57 0.00 0.00 177.10 171.83 1qgb s THR 74 N -3.05 0.72 0.03 1.60 2.01 -1.26 -0.33 115.64 115.35 1qgb s THR 74 Ca 0.65 -0.33 0.00 0.00 0.31 0.00 0.00 61.69 62.31 1qgb s THR 74 Cb -0.06 -0.64 -0.00 0.00 0.01 0.00 0.00 72.50 71.81 1qgb s THR 74 CO 0.43 0.23 0.01 -1.22 -0.69 0.00 0.00 174.62 173.38 1qgb n TYR 75 N 3.25 0.03 -3.61 4.92 4.01 -1.26 -4.96 117.16 119.53 1qgb n TYR 75 Ca -0.18 -0.20 -0.37 0.00 -0.16 0.00 0.00 57.90 57.00 1qgb n TYR 75 Cb 0.55 -0.01 -0.09 0.00 -0.31 0.00 0.00 39.34 39.48 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 -2.12 4.07 0.57 -0.72 0.52 -1.26 -4.29 118.95 115.71 1qgb s ARG 76 Ca 0.01 -0.21 0.28 0.00 -0.52 0.00 0.00 55.73 55.29 1qgb s ARG 76 Cb 0.00 -3.55 1.50 0.00 0.52 0.00 0.00 34.95 33.42 1qgb s ARG 76 CO 0.01 0.02 1.97 -0.24 0.02 0.00 0.00 175.30 177.08 1qgb h VAL 77 N 5.06 0.51 0.00 3.52 3.04 -1.79 0.53 116.25 127.12 1qgb h VAL 77 Ca -0.37 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.32 1qgb h VAL 77 Cb 1.17 0.70 0.00 0.00 -2.01 0.00 0.00 31.29 31.15 1qgb h VAL 77 CO 0.65 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.82 1qgb n GLY 78 N -1.53 -1.24 1.68 3.17 0.00 -1.26 -4.75 105.19 101.25 1qgb n GLY 78 Ca 0.08 -0.15 -0.14 0.00 0.00 0.00 0.00 46.02 45.80 1qgb n GLY 78 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1qgb n ASP 79 N -1.25 2.19 -2.02 1.61 2.03 0.19 -5.12 116.55 114.17 1qgb n ASP 79 Ca 0.15 -2.04 -0.08 0.00 0.52 0.00 0.00 54.79 53.34 1qgb n ASP 79 Cb 0.22 0.26 -0.03 0.00 -0.72 0.00 0.00 41.12 40.86 1qgb n ASP 79 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 1qgb n THR 80 N -0.55 0.00 -3.48 5.18 5.66 -1.26 -3.71 114.28 116.11 1qgb n THR 80 Ca -0.08 -1.01 -0.16 0.00 -3.05 0.00 0.00 64.05 59.76 1qgb n THR 80 Cb 0.30 0.56 -0.04 0.00 -1.55 0.00 0.00 70.33 69.59 1qgb n THR 80 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 1qgb s TYR 81 N -3.37 -0.61 0.20 1.09 -0.85 -1.24 -4.95 117.35 107.62 1qgb s TYR 81 Ca 0.16 0.82 -0.26 0.00 -0.52 0.00 0.00 57.07 57.27 1qgb s TYR 81 Cb 0.00 0.46 -0.08 0.00 0.38 0.00 0.00 41.96 42.72 1qgb s TYR 81 CO 0.12 -0.70 0.83 -2.00 -1.52 0.00 0.00 175.55 172.27 1qgb s GLU 82 N -2.18 4.61 -0.18 -3.49 2.12 -1.26 -2.31 118.70 116.01 1qgb s GLU 82 Ca -0.06 1.23 -0.03 0.00 0.36 0.00 0.00 54.97 56.46 1qgb s GLU 82 Cb -0.00 -3.19 0.06 0.00 0.26 0.00 0.00 34.13 31.25 1qgb s GLU 82 CO 0.01 0.52 0.05 0.50 -0.54 0.00 0.00 175.26 175.80 1qgb s ARG 83 N -1.31 0.45 -0.72 4.30 3.00 -0.24 -4.90 118.95 119.54 1qgb s ARG 83 Ca 0.39 -0.29 -0.26 0.00 -1.00 0.00 0.00 55.73 54.57 1qgb s ARG 83 Cb -0.23 -1.97 0.00 0.00 0.00 0.00 0.00 34.95 32.75 1qgb s ARG 83 CO 0.27 -0.64 1.62 -1.25 0.00 0.00 0.00 175.30 175.31 1qgb s PRO 84 N 1.96 2.90 -0.08 5.12 0.04 -1.26 -3.02 135.00 140.65 1qgb s PRO 84 Ca 0.00 0.08 0.00 0.00 0.04 0.00 0.00 61.00 61.13 1qgb s PRO 84 Cb -0.17 -4.44 0.02 0.00 0.04 0.00 0.00 34.50 29.95 1qgb s PRO 84 CO -0.08 -2.54 -0.06 0.21 0.04 0.00 0.00 177.00 174.57 1qgb s LYS 85 N 6.41 1.23 2.62 4.56 2.47 -1.22 -5.06 119.74 130.74 1qgb s LYS 85 Ca 0.54 -0.17 0.00 0.00 -1.56 0.00 0.00 55.97 54.78 1qgb s LYS 85 Cb -0.09 -1.29 0.00 0.00 -1.46 0.00 0.00 37.83 34.98 1qgb s LYS 85 CO 0.14 -0.20 0.00 -3.47 0.16 0.00 0.00 175.35 171.99 1qgb n ASP 86 N 4.65 -0.21 -0.17 1.43 -0.08 -1.26 -3.67 116.55 117.24 1qgb n ASP 86 Ca -0.15 0.00 0.14 0.00 -1.51 0.00 0.00 54.79 53.27 1qgb n ASP 86 Cb 0.50 0.00 0.63 0.00 2.34 0.00 0.00 41.12 44.59 1qgb n ASP 86 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1qgb n SER 87 N 0.01 0.62 -4.37 1.67 3.41 -1.26 -4.87 113.62 108.84 1qgb n SER 87 Ca 0.00 -0.82 -0.19 0.00 -0.26 0.00 0.00 58.87 57.60 1qgb n SER 87 Cb 0.00 -0.03 -0.10 0.00 -0.26 0.00 0.00 64.21 63.81 1qgb n SER 87 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 1qgb s MET 88 N -2.32 1.41 0.12 4.33 1.75 -1.24 -5.16 119.30 118.19 1qgb s MET 88 Ca 0.33 -1.69 0.04 0.00 -1.25 0.00 0.00 55.69 53.12 1qgb s MET 88 Cb 0.20 -0.93 -0.04 0.00 2.84 0.00 0.00 34.83 36.91 1qgb s MET 88 CO 0.44 0.02 0.09 0.42 -0.65 0.00 0.00 175.02 175.34 1qgb s ILE 89 N -3.16 4.41 -0.04 10.11 1.09 -1.26 -3.44 121.20 128.90 1qgb s ILE 89 Ca 0.27 -0.97 -0.05 0.00 -1.10 0.00 0.00 60.65 58.80 1qgb s ILE 89 Cb 0.04 -3.18 0.01 0.00 -1.06 0.00 0.00 42.46 38.26 1qgb s ILE 89 CO 0.09 0.01 0.13 0.26 -0.10 0.00 0.00 174.94 175.33 1qgb s TRP 90 N -1.56 -0.11 -1.24 3.97 0.52 -1.17 -2.14 118.94 117.22 1qgb s TRP 90 Ca 0.30 0.26 -0.09 0.00 0.02 0.00 0.00 56.10 56.59 1qgb s TRP 90 Cb -0.11 0.03 0.19 0.00 -1.15 0.00 0.00 33.47 32.43 1qgb s TRP 90 CO 0.22 -0.11 1.77 -0.25 0.02 0.00 0.00 176.95 178.61 1qgb n ASP 91 N 2.73 5.33 -4.52 2.95 8.00 -0.55 -1.08 116.55 129.41 1qgb n ASP 91 Ca -0.14 -3.15 -0.39 0.00 0.71 0.00 0.00 54.79 51.81 1qgb n ASP 91 Cb 0.58 -1.45 -0.10 0.00 -0.02 0.00 0.00 41.12 40.13 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 10.28 3.87 -0.94 0.00 2.01 0.15 -3.65 115.64 127.37 1qgb s THR 93 Ca 1.21 1.15 -0.25 0.00 0.31 0.00 0.00 61.69 64.10 1qgb s THR 93 Cb -0.83 -3.74 -0.13 0.00 0.01 0.00 0.00 72.50 67.81 1qgb s THR 93 CO 0.40 -0.06 2.17 0.00 -0.69 0.00 0.00 174.62 176.44 1qgb s ILE 95 N 13.77 5.22 0.00 0.00 1.01 -1.26 -4.16 121.20 135.78 1qgb s ILE 95 Ca 0.82 -1.32 0.00 0.00 0.00 0.00 0.00 60.65 60.14 1qgb s ILE 95 Cb -0.08 -4.25 0.00 0.00 0.01 0.00 0.00 42.46 38.14 1qgb s ILE 95 CO 0.09 -0.75 0.00 0.61 0.00 0.00 0.00 174.94 174.89 1qgb n GLY 96 N 5.23 3.05 7.00 6.18 0.00 -0.84 0.11 105.19 125.92 1qgb n GLY 96 Ca -0.13 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.80 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 0.00 -0.58 4.61 0.00 -1.12 -0.21 120.51 120.20 1qgb n ALA 97 Ca 0.00 0.00 0.47 0.00 0.00 0.00 0.00 53.44 53.91 1qgb n ALA 97 Cb 0.00 0.00 0.78 0.00 0.00 0.00 0.00 19.45 20.23 1qgb n ALA 97 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1qgb h GLY 98 N 0.00 0.18 0.00 0.00 0.00 -1.96 -3.38 103.07 97.92 1qgb h GLY 98 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1qgb h GLY 98 CO 0.00 -0.05 0.00 -2.13 0.00 0.00 0.00 176.54 174.36 1qgb n ARG 99 N -4.10 0.00 0.00 4.80 0.63 -1.24 -5.06 116.66 111.69 1qgb n ARG 99 Ca 0.39 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.32 1qgb n ARG 99 Cb 1.75 0.00 0.00 0.00 0.45 0.00 0.00 32.46 34.66 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 -0.85 -0.07 2.19 5.14 0.00 0.71 -4.54 105.19 107.76 1qgb n GLY 100 Ca 0.00 0.38 -0.01 0.00 0.00 0.00 0.00 46.02 46.39 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 -1.74 -1.70 1.61 0.00 0.30 -4.73 116.66 110.41 1qgb n ARG 101 Ca 0.00 1.65 -0.65 0.00 -0.00 0.00 0.00 57.85 58.86 1qgb n ARG 101 Cb 0.00 -3.52 -0.09 0.00 0.00 0.00 0.00 32.46 28.85 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 0.16 0.04 -4.17 5.15 -0.00 -1.04 -4.63 119.36 114.87 1qgb n ILE 102 Ca 0.02 -0.01 -0.35 0.00 -0.00 0.00 0.00 62.75 62.42 1qgb n ILE 102 Cb 0.07 -0.51 -0.10 0.00 -0.00 0.00 0.00 39.64 39.11 1qgb n ILE 102 CO 0.00 0.00 0.00 -0.55 -0.00 0.00 0.00 176.55 176.00 1qgb s SER 103 N 2.45 5.41 -0.12 4.38 0.15 -1.06 -4.89 113.70 120.01 1qgb s SER 103 Ca 1.01 0.08 -0.01 0.00 0.70 0.00 0.00 55.95 57.73 1qgb s SER 103 Cb -1.39 -1.82 -0.02 0.00 -1.71 0.00 0.00 66.02 61.08 1qgb s SER 103 CO 0.74 0.24 -0.10 0.00 1.20 0.00 0.00 173.24 175.32 1qgb s THR 105 N 0.11 0.04 0.77 0.00 -1.32 -1.26 -4.94 115.64 109.05 1qgb s THR 105 Ca -0.04 -0.32 -0.16 0.00 -1.21 0.00 0.00 61.69 59.95 1qgb s THR 105 Cb -0.14 -0.13 -0.06 0.00 -1.51 0.00 0.00 72.50 70.65 1qgb s THR 105 CO 0.04 -0.18 0.19 -0.38 -2.21 0.00 0.00 174.62 172.08 1qgb n ILE 106 N 2.52 0.94 -3.07 5.08 5.41 -1.25 -1.48 119.36 127.50 1qgb n ILE 106 Ca -0.16 -0.40 -0.42 0.00 1.00 0.00 0.00 62.75 62.76 1qgb n ILE 106 Cb 0.58 -0.49 -0.06 0.00 -0.71 0.00 0.00 39.64 38.96 1qgb n ILE 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1qgb s ALA 107 N -2.02 3.38 0.28 -1.39 0.00 -0.91 -4.66 121.76 116.44 1qgb s ALA 107 Ca 0.59 -1.01 -0.05 0.00 0.00 0.00 0.00 51.96 51.49 1qgb s ALA 107 Cb -0.32 -3.29 -0.05 0.00 0.00 0.00 0.00 23.12 19.46 1qgb s ALA 107 CO 0.65 -1.63 0.54 1.21 0.00 0.00 0.00 175.76 176.52 1qgb s ASN 108 N 1.94 6.44 0.00 0.00 2.47 -1.26 -5.03 114.94 119.50 1qgb s ASN 108 Ca 0.25 0.69 0.00 0.00 0.42 0.00 0.00 52.86 54.22 1qgb s ASN 108 Cb -0.14 -2.13 0.00 0.00 -1.45 0.00 0.00 41.25 37.53 1qgb s ASN 108 CO 0.18 -0.18 0.00 -2.11 -3.72 0.00 0.00 177.10 171.27