#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 1.20 0.00 4.33 0.00 -1.26 -5.18 119.74 118.83 1qgb s LYS 18 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 55.97 55.74 1qgb s LYS 18 Cb 0.00 0.56 0.00 0.00 0.00 0.00 0.00 37.83 38.39 1qgb s LYS 18 CO 0.00 -0.48 0.00 -0.35 0.00 0.00 0.00 175.35 174.52 1qgb n PRO 19 N 0.06 0.55 0.00 1.78 -0.04 -1.26 -4.89 135.00 131.19 1qgb n PRO 19 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 1qgb n PRO 19 Cb 0.62 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.08 1qgb n PRO 19 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1qgb n GLY 20 N 3.61 1.44 2.70 0.55 0.00 -1.26 -4.54 105.19 107.70 1qgb n GLY 20 Ca 0.00 -0.66 -0.08 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.36 1.06 -0.65 0.00 4.19 -1.26 -4.41 117.16 115.72 1qgb n TYR 22 Ca -0.01 0.32 0.00 0.00 3.31 0.00 0.00 57.90 61.52 1qgb n TYR 22 Cb 0.81 -2.48 0.00 0.00 0.49 0.00 0.00 39.34 38.17 1qgb n TYR 22 CO 0.00 0.00 0.00 -0.25 0.91 0.00 0.00 176.86 177.52 1qgb n ASP 23 N 11.70 -0.15 -0.29 2.98 8.00 0.47 -4.92 116.55 134.35 1qgb n ASP 23 Ca 0.52 -0.65 -0.04 0.00 0.71 0.00 0.00 54.79 55.33 1qgb n ASP 23 Cb 0.21 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.32 1qgb n ASP 23 CO 0.00 0.00 0.00 -1.13 -0.39 0.00 0.00 177.20 175.68 1qgb h ASN 24 N -0.15 -1.38 0.00 -2.24 -1.24 -2.06 -3.31 115.58 105.19 1qgb h ASN 24 Ca 0.00 0.27 0.00 0.00 0.71 0.00 0.00 56.30 57.28 1qgb h ASN 24 Cb 0.00 0.69 0.00 0.00 0.73 0.00 0.00 38.32 39.74 1qgb h ASN 24 CO 0.00 -0.30 0.00 0.61 -1.29 0.00 0.00 177.43 176.45 1qgb n GLY 25 N -1.43 -2.14 3.06 1.57 0.00 -1.26 -5.07 105.19 99.91 1qgb n GLY 25 Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 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 1.74 -0.59 1.61 3.01 -1.25 -5.09 119.74 119.17 1qgb s LYS 26 Ca 0.00 -0.47 0.02 0.00 -1.01 0.00 0.00 55.97 54.51 1qgb s LYS 26 Cb 0.00 -1.45 0.15 0.00 -1.01 0.00 0.00 37.83 35.52 1qgb s LYS 26 CO 0.00 0.08 0.36 -1.58 0.51 0.00 0.00 175.35 174.72 1qgb s HIS 27 N 0.49 3.31 0.66 3.18 2.46 -1.26 0.18 115.29 124.30 1qgb s HIS 27 Ca -0.12 -3.07 -0.11 0.00 0.47 0.00 0.00 55.06 52.23 1qgb s HIS 27 Cb -0.15 -2.93 -0.02 0.00 -0.13 0.00 0.00 32.58 29.36 1qgb s HIS 27 CO 0.04 -0.75 1.06 0.71 -2.47 0.00 0.00 174.74 173.32 1qgb s TYR 28 N -0.41 3.48 0.10 3.88 1.51 -1.26 -4.90 117.35 119.75 1qgb s TYR 28 Ca 0.18 1.21 -0.25 0.00 -1.01 0.00 0.00 57.07 57.20 1qgb s TYR 28 Cb -0.21 -2.86 -0.07 0.00 -0.11 0.00 0.00 41.96 38.71 1qgb s TYR 28 CO -0.03 -0.91 0.76 -0.65 -1.11 0.00 0.00 175.55 173.61 1qgb s GLN 29 N -5.24 4.51 0.37 -0.62 -0.21 -1.26 -3.77 119.66 113.45 1qgb s GLN 29 Ca 0.56 1.09 -0.18 0.00 0.02 0.00 0.00 55.36 56.85 1qgb s GLN 29 Cb -0.11 -3.31 -0.14 0.00 1.00 0.00 0.00 33.01 30.45 1qgb s GLN 29 CO 0.53 0.44 0.05 -0.89 -2.12 0.00 0.00 175.29 173.30 1qgb n ILE 30 N 2.18 0.49 -1.07 1.08 -0.00 -1.26 -0.45 119.36 120.32 1qgb n ILE 30 Ca -0.04 -0.45 -0.03 0.00 -0.00 0.00 0.00 62.75 62.23 1qgb n ILE 30 Cb 0.50 0.00 -0.01 0.00 -0.00 0.00 0.00 39.64 40.12 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 2.11 -4.85 -4.89 4.38 3.02 -0.01 -4.95 115.26 110.06 1qgb n ASN 31 Ca 0.10 0.06 -0.34 0.00 -0.03 0.00 0.00 54.58 54.37 1qgb n ASN 31 Cb 0.37 -2.57 -0.05 0.00 -0.61 0.00 0.00 39.78 36.91 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 -1.62 3.41 0.21 3.52 0.74 0.41 -4.85 119.66 121.48 1qgb s GLN 32 Ca 0.00 -0.28 0.08 0.00 0.05 0.00 0.00 55.36 55.21 1qgb s GLN 32 Cb 0.00 -3.10 -0.04 0.00 1.10 0.00 0.00 33.01 30.97 1qgb s GLN 32 CO 0.00 0.70 -0.00 -0.65 -0.55 0.00 0.00 175.29 174.79 1qgb s GLN 33 N -1.70 2.35 0.12 1.67 -0.21 -1.26 -1.36 119.66 119.28 1qgb s GLN 33 Ca 0.24 -1.23 -0.25 0.00 0.02 0.00 0.00 55.36 54.15 1qgb s GLN 33 Cb -0.12 -2.28 0.07 0.00 1.00 0.00 0.00 33.01 31.68 1qgb s GLN 33 CO 0.15 0.42 0.75 1.67 -2.12 0.00 0.00 175.29 176.16 1qgb s TRP 34 N -1.94 -0.38 -0.21 0.91 -2.14 -0.96 -5.03 118.94 109.19 1qgb s TRP 34 Ca 0.29 0.14 -0.06 0.00 2.66 0.00 0.00 56.10 59.13 1qgb s TRP 34 Cb -0.08 0.58 -0.03 0.00 -3.10 0.00 0.00 33.47 30.84 1qgb s TRP 34 CO 0.19 -0.81 0.04 -2.00 -2.66 0.00 0.00 176.95 171.71 1qgb s GLU 35 N -3.52 3.73 0.00 3.25 2.12 -1.26 -0.98 118.70 122.03 1qgb s GLU 35 Ca 0.05 -0.46 0.00 0.00 0.36 0.00 0.00 54.97 54.92 1qgb s GLU 35 Cb -0.02 -3.18 0.00 0.00 0.26 0.00 0.00 34.13 31.19 1qgb s GLU 35 CO -0.07 0.03 0.00 -2.13 -0.54 0.00 0.00 175.26 172.55 1qgb n ARG 36 N 4.24 1.66 -3.71 4.30 0.00 0.66 -4.94 116.66 118.86 1qgb n ARG 36 Ca -0.17 0.00 -0.11 0.00 -0.00 0.00 0.00 57.85 57.57 1qgb n ARG 36 Cb 0.52 0.00 -0.11 0.00 0.00 0.00 0.00 32.46 32.87 1qgb n ARG 36 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.63 177.55 1qgb s THR 37 N -1.17 -0.02 -0.02 5.15 -1.32 -1.26 0.20 115.64 117.20 1qgb s THR 37 Ca 0.00 0.09 0.07 0.00 -1.21 0.00 0.00 61.69 60.64 1qgb s THR 37 Cb 0.00 -0.55 -0.02 0.00 -1.51 0.00 0.00 72.50 70.43 1qgb s THR 37 CO 0.00 0.04 -0.24 -0.47 -2.21 0.00 0.00 174.62 171.74 1qgb s TYR 38 N 1.19 2.13 -1.77 9.09 6.14 -0.75 -4.63 117.35 128.75 1qgb s TYR 38 Ca -0.08 -0.41 0.00 0.00 0.64 0.00 0.00 57.07 57.22 1qgb s TYR 38 Cb -0.08 -1.37 0.00 0.00 0.42 0.00 0.00 41.96 40.93 1qgb s TYR 38 CO -0.10 -0.04 0.00 -0.11 0.64 0.00 0.00 175.55 175.94 1qgb n LEU 39 N 2.51 -1.22 -1.01 6.97 7.94 -1.26 -1.43 117.00 129.50 1qgb n LEU 39 Ca -0.16 0.41 -0.01 0.00 -1.11 0.00 0.00 56.01 55.14 1qgb n LEU 39 Cb 0.52 -2.39 0.01 0.00 0.53 0.00 0.00 43.42 42.08 1qgb n LEU 39 CO 0.23 -0.87 0.01 0.61 -1.11 0.00 0.00 177.39 176.26 1qgb n GLY 40 N -0.31 0.56 3.27 -3.96 0.00 -1.26 -5.08 105.19 98.41 1qgb n GLY 40 Ca -0.17 -0.50 -0.11 0.00 0.00 0.00 0.00 46.02 45.24 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 -3.07 -0.49 0.34 1.61 0.01 -0.52 -5.14 114.94 107.69 1qgb s ASN 41 Ca 0.02 0.86 -0.16 0.00 -0.71 0.00 0.00 52.86 52.87 1qgb s ASN 41 Cb -0.01 0.77 -0.12 0.00 0.41 0.00 0.00 41.25 42.30 1qgb s ASN 41 CO 0.05 -0.18 0.03 0.00 -1.51 0.00 0.00 177.10 175.49 1qgb n ALA 42 N 3.95 -2.69 -3.54 0.60 0.00 -1.26 -1.81 120.51 115.76 1qgb n ALA 42 Ca -0.21 0.06 -0.17 0.00 0.00 0.00 0.00 53.44 53.12 1qgb n ALA 42 Cb 0.56 -1.17 -0.06 0.00 0.00 0.00 0.00 19.45 18.77 1qgb n ALA 42 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1qgb s LEU 43 N 3.62 -0.62 -0.08 0.00 2.96 0.54 -4.43 118.68 120.68 1qgb s LEU 43 Ca 0.47 0.89 0.04 0.00 -0.22 0.00 0.00 54.13 55.31 1qgb s LEU 43 Cb -0.48 2.46 0.00 0.00 0.50 0.00 0.00 46.19 48.67 1qgb s LEU 43 CO 0.51 -0.51 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.13 1qgb s VAL 44 N -0.77 1.83 0.16 1.68 1.01 0.89 0.24 120.40 125.43 1qgb s VAL 44 Ca -0.08 -0.90 0.10 0.00 0.00 0.00 0.00 61.98 61.10 1qgb s VAL 44 Cb -0.01 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 1qgb s VAL 44 CO 0.07 0.51 -0.19 0.00 0.00 0.00 0.00 175.10 175.49 1qgb s THR 46 N -1.44 0.04 0.14 0.00 2.01 -1.11 -2.27 115.64 113.02 1qgb s THR 46 Ca 0.20 -0.09 -0.30 0.00 0.31 0.00 0.00 61.69 61.81 1qgb s THR 46 Cb -0.09 -0.56 -0.07 0.00 0.01 0.00 0.00 72.50 71.79 1qgb s THR 46 CO 0.11 -0.14 1.06 0.00 -0.69 0.00 0.00 174.62 174.96 1qgb n TYR 48 N 2.73 0.00 0.00 0.00 4.02 0.67 -0.83 117.16 123.75 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 -0.66 0.00 0.00 -0.02 0.00 0.00 39.34 39.14 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 2.24 0.09 7.00 2.72 0.00 -1.24 -4.06 105.19 111.94 1qgb n GLY 49 Ca -0.33 -2.29 0.00 0.00 0.00 0.00 0.00 46.02 43.40 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 -0.23 1.92 0.01 -0.02 0.00 -1.26 -1.43 105.19 104.19 1qgb n GLY 50 Ca 0.00 0.53 0.04 0.00 0.00 0.00 0.00 46.02 46.59 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 4.13 2.66 -0.34 1.61 2.88 -1.26 -4.54 113.62 118.77 1qgb n SER 51 Ca 0.00 0.00 0.36 0.00 -1.33 0.00 0.00 58.87 57.90 1qgb n SER 51 Cb 0.00 1.38 0.75 0.00 -0.75 0.00 0.00 64.21 65.60 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 -1.62 -3.45 114.38 110.92 1qgb h ARG 52 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1qgb h ARG 52 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.65 1qgb h ARG 52 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 1qgb n GLY 53 N -1.77 3.42 3.38 0.04 0.00 -1.13 -4.81 105.19 104.32 1qgb n GLY 53 Ca 0.26 -0.10 -0.14 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.40 -0.06 1.61 -0.12 -1.26 -0.24 117.98 117.51 1qgb s PHE 54 Ca 0.00 0.42 0.04 0.00 -0.05 0.00 0.00 56.93 57.34 1qgb s PHE 54 Cb 0.00 0.33 0.00 0.00 -0.63 0.00 0.00 43.02 42.72 1qgb s PHE 54 CO 0.00 -0.64 -0.19 1.21 -0.05 0.00 0.00 175.22 175.55 1qgb s ASN 55 N -2.02 2.41 0.28 1.98 2.47 -1.20 -4.92 114.94 113.94 1qgb s ASN 55 Ca -0.05 -0.41 0.09 0.00 0.42 0.00 0.00 52.86 52.91 1qgb s ASN 55 Cb -0.01 -0.89 -0.04 0.00 -1.45 0.00 0.00 41.25 38.86 1qgb s ASN 55 CO -0.02 0.14 0.03 0.00 -3.72 0.00 0.00 177.10 173.52 1qgb n GLU 57 N -0.96 -0.59 -1.63 0.00 0.28 -0.87 -4.93 120.64 111.94 1qgb n GLU 57 Ca -0.06 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.51 1qgb n GLU 57 Cb 0.59 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.43 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 0.00 3.76 -4.55 -1.84 3.41 -1.26 -0.08 113.62 113.06 1qgb n SER 58 Ca 0.00 0.64 -0.48 0.00 -0.26 0.00 0.00 58.87 58.76 1qgb n SER 58 Cb 0.00 -1.52 -0.04 0.00 -0.26 0.00 0.00 64.21 62.39 1qgb n SER 58 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1qgb n LYS 59 N 7.95 0.93 -1.65 4.33 -0.00 -1.26 -4.75 118.16 123.70 1qgb n LYS 59 Ca 0.24 0.33 -0.57 0.00 -0.00 0.00 0.00 58.31 58.31 1qgb n LYS 59 Cb 0.41 -1.71 -0.07 0.00 -0.00 0.00 0.00 35.03 33.66 1qgb n LYS 59 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 1qgb n PRO 60 N 1.36 0.86 -0.05 -1.58 -0.02 -1.26 -4.90 135.00 129.42 1qgb n PRO 60 Ca 0.15 0.31 -0.11 0.00 -2.02 0.00 0.00 63.50 61.83 1qgb n PRO 60 Cb 0.25 -1.94 -0.10 0.00 -0.02 0.00 0.00 33.50 31.69 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 5.58 -0.03 -1.74 -0.52 4.22 -2.02 -3.48 114.58 116.60 1qgb h GLU 61 Ca -0.47 0.00 0.05 0.00 0.08 0.00 0.00 59.36 59.03 1qgb h GLU 61 Cb 1.34 0.01 -0.24 0.00 0.50 0.00 0.00 28.75 30.36 1qgb h GLU 61 CO 0.87 0.69 0.27 0.00 -2.18 0.00 0.00 179.01 178.66 1qgb s ALA 62 N -2.65 -2.03 1.17 2.92 0.00 -1.26 -5.13 121.76 114.79 1qgb s ALA 62 Ca -0.15 2.16 -0.13 0.00 0.00 0.00 0.00 51.96 53.85 1qgb s ALA 62 Cb -0.02 -1.50 0.29 0.00 0.00 0.00 0.00 23.12 21.89 1qgb s ALA 62 CO 0.55 -0.33 1.03 -2.00 0.00 0.00 0.00 175.76 175.01 1qgb s GLU 63 N 1.02 -0.99 -0.99 0.00 2.12 -1.26 -4.95 118.70 113.64 1qgb s GLU 63 Ca -0.05 0.89 -0.04 0.00 0.36 0.00 0.00 54.97 56.12 1qgb s GLU 63 Cb -0.05 -1.54 0.25 0.00 0.26 0.00 0.00 34.13 33.05 1qgb s GLU 63 CO -0.12 -3.78 0.96 -1.91 -0.54 0.00 0.00 175.26 169.86 1qgb n GLU 64 N -4.97 3.10 -3.81 4.30 2.13 -1.26 -4.44 120.64 115.70 1qgb n GLU 64 Ca 0.03 -4.48 -0.02 0.00 0.66 0.00 0.00 57.16 53.35 1qgb n GLU 64 Cb 0.54 -2.47 0.00 0.00 0.27 0.00 0.00 31.44 29.78 1qgb n GLU 64 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 1qgb s THR 65 N -1.46 0.00 0.00 6.31 -1.32 -1.24 -4.64 115.64 113.29 1qgb s THR 65 Ca 0.30 -0.56 0.00 0.00 -1.21 0.00 0.00 61.69 60.22 1qgb s THR 65 Cb -0.07 -2.44 0.00 0.00 -1.51 0.00 0.00 72.50 68.48 1qgb s THR 65 CO -0.09 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.32 1qgb s PHE 67 N 0.00 1.46 -1.23 0.00 5.36 -1.26 -3.29 117.98 119.03 1qgb s PHE 67 Ca 0.00 -0.05 -0.13 0.00 -0.96 0.00 0.00 56.93 55.79 1qgb s PHE 67 Cb 0.00 -4.10 0.17 0.00 -0.34 0.00 0.00 43.02 38.74 1qgb s PHE 67 CO 0.00 -4.71 1.51 -3.47 -1.46 0.00 0.00 175.22 167.08 1qgb n ASP 68 N 8.41 5.19 -0.53 6.13 2.03 -0.53 -4.83 116.55 132.42 1qgb n ASP 68 Ca 0.21 -2.99 0.41 0.00 0.52 0.00 0.00 54.79 52.94 1qgb n ASP 68 Cb 0.43 -1.57 0.64 0.00 -0.72 0.00 0.00 41.12 39.89 1qgb n ASP 68 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1qgb n LYS 69 N 5.57 -0.01 -0.37 -0.67 2.85 -1.26 -0.42 118.16 123.85 1qgb n LYS 69 Ca 0.38 0.91 -0.05 0.00 -1.05 0.00 0.00 58.31 58.50 1qgb n LYS 69 Cb 0.42 -2.02 -0.01 0.00 -0.65 0.00 0.00 35.03 32.77 1qgb n LYS 69 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 177.40 179.23 1qgb h TYR 70 N 0.00 -1.35 0.00 5.58 -1.99 -1.94 -3.35 116.97 113.91 1qgb h TYR 70 Ca 0.75 0.11 0.00 0.00 2.00 0.00 0.00 58.73 61.59 1qgb h TYR 70 Cb 2.88 0.72 0.00 0.00 2.00 0.00 0.00 36.73 42.33 1qgb h TYR 70 CO -0.00 -0.40 -0.66 -2.37 -0.00 0.00 0.00 178.16 174.73 1qgb n THR 71 N -5.40 0.00 0.00 -2.88 5.66 0.40 -5.04 114.28 107.01 1qgb n THR 71 Ca 0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.07 1qgb n THR 71 Cb 0.35 -0.46 0.00 0.00 -1.55 0.00 0.00 70.33 68.68 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 2.57 0.90 3.86 1.09 0.00 0.44 -5.06 105.19 108.99 1qgb n GLY 72 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.49 6.57 -0.08 1.61 0.01 -1.25 -4.70 114.94 115.61 1qgb s ASN 73 Ca 0.00 0.68 -0.03 0.00 -0.71 0.00 0.00 52.86 52.80 1qgb s ASN 73 Cb 0.00 -2.15 -0.04 0.00 0.41 0.00 0.00 41.25 39.48 1qgb s ASN 73 CO 0.00 0.37 0.07 0.28 -1.51 0.00 0.00 177.10 176.30 1qgb s THR 74 N -1.07 4.83 0.40 1.60 -1.32 -1.26 -1.45 115.64 117.38 1qgb s THR 74 Ca 0.19 -0.11 0.02 0.00 -1.21 0.00 0.00 61.69 60.59 1qgb s THR 74 Cb -0.14 -3.09 -0.01 0.00 -1.51 0.00 0.00 72.50 67.75 1qgb s THR 74 CO 0.09 0.57 0.08 -1.22 -2.21 0.00 0.00 174.62 171.92 1qgb n TYR 75 N 1.91 0.49 -2.61 9.09 4.01 -1.21 -4.88 117.16 123.97 1qgb n TYR 75 Ca -0.18 -2.33 -0.42 0.00 -0.16 0.00 0.00 57.90 54.81 1qgb n TYR 75 Cb 0.54 -0.12 -0.03 0.00 -0.31 0.00 0.00 39.34 39.42 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 -3.50 4.38 0.30 -0.72 0.52 -1.26 -3.02 118.95 115.65 1qgb s ARG 76 Ca 0.11 1.48 0.06 0.00 -0.52 0.00 0.00 55.73 56.86 1qgb s ARG 76 Cb 0.01 -3.56 0.80 0.00 0.52 0.00 0.00 34.95 32.72 1qgb s ARG 76 CO 0.08 -0.39 1.67 -0.24 0.02 0.00 0.00 175.30 176.44 1qgb h VAL 77 N 5.11 0.38 -0.34 3.52 3.04 -1.71 0.28 116.25 126.53 1qgb h VAL 77 Ca -0.31 -0.11 -0.22 0.00 -1.01 0.00 0.00 66.70 65.05 1qgb h VAL 77 Cb 1.14 0.03 -0.10 0.00 -2.01 0.00 0.00 31.29 30.35 1qgb h VAL 77 CO 0.88 0.06 0.29 0.61 -1.01 0.00 0.00 177.57 178.39 1qgb n GLY 78 N -1.34 3.53 3.23 3.17 0.00 -1.26 -4.24 105.19 108.27 1qgb n GLY 78 Ca 0.24 -0.72 -0.28 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 0.61 2.54 -0.33 1.61 -1.08 0.99 -5.09 116.67 115.92 1qgb s ASP 79 Ca 0.22 -0.39 -0.04 0.00 -0.52 0.00 0.00 52.55 51.81 1qgb s ASP 79 Cb 0.17 -0.33 0.05 0.00 -1.46 0.00 0.00 42.92 41.36 1qgb s ASP 79 CO 0.00 0.26 0.07 0.42 0.52 0.00 0.00 175.17 176.44 1qgb s THR 80 N -0.46 3.41 0.03 1.71 -4.23 -1.26 -3.04 115.64 111.79 1qgb s THR 80 Ca 0.07 -1.30 0.09 0.00 -1.18 0.00 0.00 61.69 59.37 1qgb s THR 80 Cb -0.09 -2.97 -0.03 0.00 1.34 0.00 0.00 72.50 70.76 1qgb s THR 80 CO -0.00 -0.18 -0.25 -0.72 -0.54 0.00 0.00 174.62 172.92 1qgb s TYR 81 N 1.32 2.21 0.80 3.99 1.13 -1.23 -5.05 117.35 120.52 1qgb s TYR 81 Ca -0.03 -0.41 -0.08 0.00 -1.41 0.00 0.00 57.07 55.14 1qgb s TYR 81 Cb -0.20 -1.35 0.13 0.00 -1.10 0.00 0.00 41.96 39.45 1qgb s TYR 81 CO 0.01 0.08 1.12 -1.21 -2.51 0.00 0.00 175.55 173.04 1qgb s GLU 82 N -1.06 1.48 -0.30 -3.49 2.02 -1.26 -2.16 118.70 113.92 1qgb s GLU 82 Ca 0.10 -0.54 -0.06 0.00 0.02 0.00 0.00 54.97 54.49 1qgb s GLU 82 Cb -0.10 -2.09 0.18 0.00 0.10 0.00 0.00 34.13 32.22 1qgb s GLU 82 CO 0.01 -1.73 0.77 0.50 0.02 0.00 0.00 175.26 174.83 1qgb s ARG 83 N -5.46 0.43 0.32 1.61 3.00 -1.23 -4.78 118.95 112.83 1qgb s ARG 83 Ca 0.67 0.80 -0.29 0.00 -1.00 0.00 0.00 55.73 55.90 1qgb s ARG 83 Cb -0.07 0.45 -0.11 0.00 0.00 0.00 0.00 34.95 35.22 1qgb s ARG 83 CO 0.48 -0.43 1.49 -1.25 0.00 0.00 0.00 175.30 175.59 1qgb s PRO 84 N 2.87 4.17 -0.29 5.12 0.04 -1.26 -3.94 135.00 141.71 1qgb s PRO 84 Ca 0.11 2.48 -0.18 0.00 0.04 0.00 0.00 61.00 63.45 1qgb s PRO 84 Cb -0.13 -3.03 0.16 0.00 0.04 0.00 0.00 34.50 31.54 1qgb s PRO 84 CO -0.17 -0.50 1.08 0.21 0.04 0.00 0.00 177.00 177.65 1qgb s LYS 85 N -1.18 0.30 2.18 4.56 2.20 -1.26 -5.03 119.74 121.51 1qgb s LYS 85 Ca 0.57 0.48 0.00 0.00 -0.36 0.00 0.00 55.97 56.66 1qgb s LYS 85 Cb -0.45 0.08 0.00 0.00 -1.51 0.00 0.00 37.83 35.95 1qgb s LYS 85 CO 0.53 -0.06 0.00 -3.47 -0.36 0.00 0.00 175.35 171.99 1qgb n ASP 86 N 3.17 -2.29 -1.71 1.43 2.03 -1.26 -2.86 116.55 115.06 1qgb n ASP 86 Ca -0.17 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.01 1qgb n ASP 86 Cb 0.57 0.00 0.07 0.00 -0.72 0.00 0.00 41.12 41.04 1qgb n ASP 86 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1qgb n SER 87 N -3.26 4.52 -3.64 1.67 3.41 -1.26 -4.78 113.62 110.28 1qgb n SER 87 Ca 0.00 -2.89 -0.05 0.00 -0.26 0.00 0.00 58.87 55.67 1qgb n SER 87 Cb 0.00 -0.81 -0.07 0.00 -0.26 0.00 0.00 64.21 63.07 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 -1.69 0.61 -0.06 4.33 0.00 -1.14 -5.15 119.30 116.20 1qgb s MET 88 Ca 0.29 1.07 -0.18 0.00 0.00 0.00 0.00 55.69 56.87 1qgb s MET 88 Cb 0.24 0.15 -0.05 0.00 0.00 0.00 0.00 34.83 35.17 1qgb s MET 88 CO 0.03 -0.13 0.48 0.42 0.00 0.00 0.00 175.02 175.82 1qgb s ILE 89 N 1.61 5.09 -0.11 10.11 1.01 -1.26 -4.12 121.20 133.53 1qgb s ILE 89 Ca -0.10 0.98 0.01 0.00 0.00 0.00 0.00 60.65 61.54 1qgb s ILE 89 Cb -0.05 -3.81 0.02 0.00 0.01 0.00 0.00 42.46 38.63 1qgb s ILE 89 CO -0.19 0.41 -0.11 0.26 0.00 0.00 0.00 174.94 175.31 1qgb s TRP 90 N 0.01 1.71 -0.64 3.97 0.52 -1.25 -3.55 118.94 119.70 1qgb s TRP 90 Ca 0.26 -0.82 -0.27 0.00 0.02 0.00 0.00 56.10 55.29 1qgb s TRP 90 Cb -0.16 -1.30 0.01 0.00 -1.15 0.00 0.00 33.47 30.87 1qgb s TRP 90 CO 0.12 -0.48 1.44 0.34 0.02 0.00 0.00 176.95 178.40 1qgb s ASP 91 N 1.28 5.98 -0.29 2.95 2.15 -0.78 -3.55 116.67 124.40 1qgb s ASP 91 Ca -0.02 -0.01 -0.28 0.00 0.43 0.00 0.00 52.55 52.67 1qgb s ASP 91 Cb -0.14 -2.55 0.01 0.00 -0.30 0.00 0.00 42.92 39.95 1qgb s ASP 91 CO -0.05 -1.89 1.01 0.00 -0.17 0.00 0.00 175.17 174.08 1qgb s THR 93 N 3.41 5.06 -1.00 0.00 2.01 0.42 -3.56 115.64 121.99 1qgb s THR 93 Ca 0.43 1.27 -0.24 0.00 0.31 0.00 0.00 61.69 63.46 1qgb s THR 93 Cb -0.13 -3.97 -0.08 0.00 0.01 0.00 0.00 72.50 68.33 1qgb s THR 93 CO 0.12 0.21 2.00 0.00 -0.69 0.00 0.00 174.62 176.26 1qgb n ILE 95 N 8.02 5.95 0.00 0.00 5.41 -1.26 -4.10 119.36 133.38 1qgb n ILE 95 Ca 0.42 -5.87 0.00 0.00 1.00 0.00 0.00 62.75 58.30 1qgb n ILE 95 Cb 0.46 -1.67 0.00 0.00 -0.71 0.00 0.00 39.64 37.73 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 0.27 0.47 2.35 7.39 0.00 -1.26 -1.49 105.19 112.93 1qgb n GLY 96 Ca 0.45 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.34 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 -0.20 0.00 4.61 0.00 -1.02 -3.93 120.51 116.97 1qgb n ALA 97 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1qgb n ALA 97 Cb 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.01 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 -1.41 1.45 2.66 0.00 0.00 -1.26 -4.26 105.19 102.36 1qgb n GLY 98 Ca -0.13 -0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 1qgb n GLY 98 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1qgb s ARG 99 N 0.00 0.87 -0.84 1.61 1.04 -1.25 -5.06 118.95 115.32 1qgb s ARG 99 Ca 0.00 -1.45 -0.23 0.00 -1.04 0.00 0.00 55.73 53.01 1qgb s ARG 99 Cb 0.00 -1.94 -0.20 0.00 -2.04 0.00 0.00 34.95 30.77 1qgb s ARG 99 CO 0.00 -1.10 2.18 0.41 -0.04 0.00 0.00 175.30 176.75 1qgb n GLY 100 N 4.21 -0.41 2.48 3.88 0.00 -1.26 -4.54 105.19 109.55 1qgb n GLY 100 Ca 0.05 0.81 -0.28 0.00 0.00 0.00 0.00 46.02 46.59 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 6.69 3.37 -1.54 1.61 0.63 -0.55 -4.96 116.66 121.90 1qgb n ARG 101 Ca 0.55 -4.36 -0.39 0.00 -0.92 0.00 0.00 57.85 52.73 1qgb n ARG 101 Cb 0.04 -2.26 -0.05 0.00 0.45 0.00 0.00 32.46 30.64 1qgb n ARG 101 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 1qgb n ILE 102 N -0.51 0.02 -3.65 5.15 -0.00 -1.26 -4.18 119.36 114.92 1qgb n ILE 102 Ca 0.41 -0.59 -0.36 0.00 -0.00 0.00 0.00 62.75 62.22 1qgb n ILE 102 Cb 0.64 -2.33 -0.08 0.00 -0.00 0.00 0.00 39.64 37.87 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 10.72 6.28 0.04 4.38 0.15 -1.15 -4.85 113.70 129.27 1qgb s SER 103 Ca 1.05 0.32 -0.02 0.00 0.70 0.00 0.00 55.95 58.00 1qgb s SER 103 Cb -0.42 -2.13 -0.04 0.00 -1.71 0.00 0.00 66.02 61.72 1qgb s SER 103 CO 0.33 0.13 0.22 0.00 1.20 0.00 0.00 173.24 175.12 1qgb s THR 105 N -1.45 -0.87 0.04 0.00 -1.32 -1.06 -4.89 115.64 106.10 1qgb s THR 105 Ca 0.32 -0.00 -0.38 0.00 -1.21 0.00 0.00 61.69 60.43 1qgb s THR 105 Cb -0.13 -0.92 -0.19 0.00 -1.51 0.00 0.00 72.50 69.75 1qgb s THR 105 CO 0.24 -0.02 0.97 -0.38 -2.21 0.00 0.00 174.62 173.22 1qgb n ILE 106 N 5.41 0.39 -3.28 5.08 -0.00 -1.26 -1.86 119.36 123.84 1qgb n ILE 106 Ca -0.04 -0.10 -0.43 0.00 -0.00 0.00 0.00 62.75 62.18 1qgb n ILE 106 Cb 0.50 -0.03 -0.08 0.00 -0.00 0.00 0.00 39.64 40.03 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 -0.18 3.43 -0.20 -1.39 0.00 -1.23 -4.80 121.76 117.39 1qgb s ALA 107 Ca 0.86 -1.61 0.18 0.00 0.00 0.00 0.00 51.96 51.39 1qgb s ALA 107 Cb -1.19 -3.13 0.47 0.00 0.00 0.00 0.00 23.12 19.26 1qgb s ALA 107 CO 0.57 -1.70 1.16 0.27 0.00 0.00 0.00 175.76 176.05 1qgb n ASN 108 N 5.72 2.29 0.00 0.00 0.23 -1.26 -5.05 115.26 117.18 1qgb n ASN 108 Ca -0.07 -2.72 0.00 0.00 -0.53 0.00 0.00 54.58 51.25 1qgb n ASN 108 Cb 0.47 -0.41 0.00 0.00 -2.08 0.00 0.00 39.78 37.75 1qgb n ASN 108 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87