#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 0.12 0.76 1.43 -2.85 -1.26 -5.18 119.74 112.77 1qgb s LYS 18 Ca 0.00 0.05 -0.12 0.00 -1.00 0.00 0.00 55.97 54.90 1qgb s LYS 18 Cb 0.00 0.04 0.05 0.00 -2.06 0.00 0.00 37.83 35.86 1qgb s LYS 18 CO 0.00 -0.21 1.14 -1.25 0.10 0.00 0.00 175.35 175.14 1qgb s PRO 19 N 2.60 2.36 0.02 1.78 0.04 -1.26 -4.96 135.00 135.59 1qgb s PRO 19 Ca 0.24 0.26 0.00 0.00 0.04 0.00 0.00 61.00 61.54 1qgb s PRO 19 Cb 0.01 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.56 1qgb s PRO 19 CO -0.20 -1.34 0.00 0.41 0.04 0.00 0.00 177.00 175.91 1qgb n GLY 20 N -3.18 -2.64 3.98 0.56 0.00 -1.26 -5.01 105.19 97.64 1qgb n GLY 20 Ca 0.08 -1.44 -0.23 0.00 0.00 0.00 0.00 46.02 44.43 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 -2.65 0.00 0.00 0.00 9.36 -1.26 -3.77 117.16 118.84 1qgb n TYR 22 Ca 0.12 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.34 1qgb n TYR 22 Cb 0.60 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.31 1qgb n TYR 22 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 1qgb n ASP 23 N 0.00 0.00 -1.86 2.98 9.92 0.32 -5.00 116.55 122.91 1qgb n ASP 23 Ca 0.00 0.00 -0.15 0.00 -0.53 0.00 0.00 54.79 54.11 1qgb n ASP 23 Cb 0.00 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.44 1qgb n ASP 23 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1qgb n ASN 24 N 0.00 -4.16 0.00 -2.24 5.15 -1.26 0.44 115.26 113.20 1qgb n ASN 24 Ca 0.00 0.27 0.00 0.00 -0.60 0.00 0.00 54.58 54.25 1qgb n ASN 24 Cb 0.00 -3.67 0.00 0.00 -0.53 0.00 0.00 39.78 35.58 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 -0.53 0.58 3.39 8.20 0.00 -1.26 -5.01 105.19 110.56 1qgb n GLY 25 Ca -0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 1qgb n GLY 25 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1qgb s LYS 26 N -0.22 1.46 -0.45 1.61 2.20 0.17 -5.11 119.74 119.41 1qgb s LYS 26 Ca 0.00 -1.32 0.01 0.00 -0.36 0.00 0.00 55.97 54.30 1qgb s LYS 26 Cb 0.00 -1.92 0.12 0.00 -1.51 0.00 0.00 37.83 34.52 1qgb s LYS 26 CO 0.00 0.46 0.21 -1.58 -0.36 0.00 0.00 175.35 174.08 1qgb s HIS 27 N -1.04 3.54 0.63 4.03 5.65 -1.26 -0.52 115.29 126.31 1qgb s HIS 27 Ca 0.14 -2.80 -0.01 0.00 0.25 0.00 0.00 55.06 52.63 1qgb s HIS 27 Cb -0.10 -3.05 0.06 0.00 -1.18 0.00 0.00 32.58 28.31 1qgb s HIS 27 CO 0.06 -0.90 0.89 0.71 -0.65 0.00 0.00 174.74 174.85 1qgb s TYR 28 N 0.58 2.62 0.58 3.88 2.02 -1.25 -4.97 117.35 120.81 1qgb s TYR 28 Ca 0.12 0.06 0.03 0.00 -0.37 0.00 0.00 57.07 56.92 1qgb s TYR 28 Cb -0.22 -2.94 0.07 0.00 -0.40 0.00 0.00 41.96 38.47 1qgb s TYR 28 CO -0.04 -1.20 0.81 -1.14 -1.57 0.00 0.00 175.55 172.41 1qgb s GLN 29 N -4.98 2.29 0.48 -0.62 2.00 -1.26 -3.24 119.66 114.32 1qgb s GLN 29 Ca 0.60 -1.11 -0.21 0.00 -2.00 0.00 0.00 55.36 52.63 1qgb s GLN 29 Cb -0.09 -2.51 -0.08 0.00 0.80 0.00 0.00 33.01 31.13 1qgb s GLN 29 CO 0.41 -0.89 1.09 0.42 -0.50 0.00 0.00 175.29 175.83 1qgb s ILE 30 N -2.79 3.46 -0.13 -2.34 -1.09 -1.26 -2.85 121.20 114.19 1qgb s ILE 30 Ca 0.60 0.99 0.00 0.00 -2.23 0.00 0.00 60.65 60.01 1qgb s ILE 30 Cb -0.08 -3.45 0.00 0.00 -1.58 0.00 0.00 42.46 37.36 1qgb s ILE 30 CO 0.39 -0.12 0.00 0.59 -1.23 0.00 0.00 174.94 174.58 1qgb n ASN 31 N -0.77 -5.34 -4.91 3.58 3.02 -0.97 -4.92 115.26 104.95 1qgb n ASN 31 Ca 0.09 0.03 -0.28 0.00 -0.03 0.00 0.00 54.58 54.39 1qgb n ASN 31 Cb 0.51 -2.94 -0.01 0.00 -0.61 0.00 0.00 39.78 36.72 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 -1.71 3.59 -0.03 3.52 -0.44 -1.13 -4.75 119.66 118.70 1qgb s GLN 32 Ca 0.00 0.15 0.07 0.00 -2.50 0.00 0.00 55.36 53.07 1qgb s GLN 32 Cb 0.00 -2.46 -0.02 0.00 -1.64 0.00 0.00 33.01 28.90 1qgb s GLN 32 CO 0.00 -0.07 -0.24 -0.65 0.50 0.00 0.00 175.29 174.83 1qgb s GLN 33 N -4.35 2.29 0.36 1.67 -0.21 -1.26 -0.81 119.66 117.34 1qgb s GLN 33 Ca 0.47 -0.90 -0.03 0.00 0.02 0.00 0.00 55.36 54.92 1qgb s GLN 33 Cb -0.10 -2.12 0.01 0.00 1.00 0.00 0.00 33.01 31.80 1qgb s GLN 33 CO 0.39 0.51 0.52 -2.67 -2.12 0.00 0.00 175.29 171.93 1qgb n TRP 34 N 2.58 -1.55 -4.92 0.91 2.14 -0.65 -5.00 117.44 110.95 1qgb n TRP 34 Ca -0.17 -2.35 -0.33 0.00 2.07 0.00 0.00 57.50 56.73 1qgb n TRP 34 Cb 0.51 0.59 -0.16 0.00 -0.81 0.00 0.00 31.31 31.45 1qgb n TRP 34 CO 0.00 0.00 0.00 -2.00 2.07 0.00 0.00 177.69 177.76 1qgb s GLU 35 N -2.75 3.18 0.41 -2.67 2.12 -1.26 0.82 118.70 118.54 1qgb s GLU 35 Ca 0.28 -0.80 0.07 0.00 0.36 0.00 0.00 54.97 54.89 1qgb s GLU 35 Cb -0.01 -2.47 -0.06 0.00 0.26 0.00 0.00 34.13 31.85 1qgb s GLU 35 CO 0.20 0.15 0.15 0.50 -0.54 0.00 0.00 175.26 175.72 1qgb s ARG 36 N 0.46 2.18 -0.06 4.30 3.52 0.73 -4.89 118.95 125.20 1qgb s ARG 36 Ca -0.13 -1.88 0.02 0.00 -0.13 0.00 0.00 55.73 53.61 1qgb s ARG 36 Cb -0.17 -1.93 0.01 0.00 -1.56 0.00 0.00 34.95 31.30 1qgb s ARG 36 CO 0.06 -0.10 -0.11 0.99 -0.81 0.00 0.00 175.30 175.33 1qgb s THR 37 N -2.61 1.00 -0.07 4.11 2.01 -1.26 0.11 115.64 118.93 1qgb s THR 37 Ca 0.40 -0.40 -0.11 0.00 0.31 0.00 0.00 61.69 61.89 1qgb s THR 37 Cb 0.05 -0.92 0.02 0.00 0.01 0.00 0.00 72.50 71.66 1qgb s THR 37 CO 0.22 0.32 0.27 -0.47 -0.69 0.00 0.00 174.62 174.27 1qgb s TYR 38 N 0.66 -0.23 -1.32 4.92 5.04 -1.06 -4.88 117.35 120.49 1qgb s TYR 38 Ca -0.13 0.51 -0.08 0.00 -2.44 0.00 0.00 57.07 54.92 1qgb s TYR 38 Cb -0.15 0.08 0.06 0.00 0.35 0.00 0.00 41.96 42.30 1qgb s TYR 38 CO 0.03 -0.22 0.49 1.28 -1.34 0.00 0.00 175.55 175.79 1qgb n LEU 39 N 2.33 -1.72 -2.41 6.97 7.99 -1.26 -0.53 117.00 128.36 1qgb n LEU 39 Ca -0.16 -0.35 -0.15 0.00 -0.01 0.00 0.00 56.01 55.33 1qgb n LEU 39 Cb 0.57 -2.26 0.05 0.00 -0.11 0.00 0.00 43.42 41.66 1qgb n LEU 39 CO 0.19 0.16 0.12 0.61 -1.51 0.00 0.00 177.39 176.96 1qgb n GLY 40 N -1.22 -0.05 3.42 -0.72 0.00 -1.26 -5.02 105.19 100.34 1qgb n GLY 40 Ca -0.04 -0.10 -0.23 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.11 2.38 -0.15 1.61 0.01 0.31 -5.15 114.94 110.83 1qgb s ASN 41 Ca 0.34 -1.76 0.00 0.00 -0.71 0.00 0.00 52.86 50.73 1qgb s ASN 41 Cb -0.15 0.59 0.03 0.00 0.41 0.00 0.00 41.25 42.13 1qgb s ASN 41 CO 0.42 -1.03 -0.12 0.00 -1.51 0.00 0.00 177.10 174.86 1qgb s ALA 42 N -3.28 1.76 0.27 0.60 0.00 -1.26 -2.58 121.76 117.28 1qgb s ALA 42 Ca 0.31 -0.89 0.07 0.00 0.00 0.00 0.00 51.96 51.45 1qgb s ALA 42 Cb 0.02 -1.07 -0.06 0.00 0.00 0.00 0.00 23.12 22.01 1qgb s ALA 42 CO 0.21 -0.49 -0.09 -0.51 0.00 0.00 0.00 175.76 174.89 1qgb s LEU 43 N 1.52 2.53 -0.18 0.00 2.01 0.31 -0.20 118.68 124.67 1qgb s LEU 43 Ca 0.04 -1.15 -0.03 0.00 0.01 0.00 0.00 54.13 53.00 1qgb s LEU 43 Cb -0.13 -0.71 -0.01 0.00 0.01 0.00 0.00 46.19 45.34 1qgb s LEU 43 CO -0.10 -0.27 -0.07 -0.69 1.01 0.00 0.00 176.35 176.23 1qgb s VAL 44 N -2.93 3.38 0.31 -1.59 1.01 -1.09 0.26 120.40 119.76 1qgb s VAL 44 Ca 0.29 -0.51 0.07 0.00 0.00 0.00 0.00 61.98 61.82 1qgb s VAL 44 Cb 0.02 -2.49 -0.02 0.00 0.00 0.00 0.00 36.38 33.89 1qgb s VAL 44 CO 0.12 0.47 0.34 0.00 0.00 0.00 0.00 175.10 176.02 1qgb s THR 46 N -2.20 -0.38 0.54 0.00 2.01 -0.80 -1.64 115.64 113.17 1qgb s THR 46 Ca 0.40 0.27 -0.16 0.00 0.31 0.00 0.00 61.69 62.51 1qgb s THR 46 Cb -0.08 -0.43 -0.07 0.00 0.01 0.00 0.00 72.50 71.93 1qgb s THR 46 CO 0.28 0.10 1.00 0.00 -0.69 0.00 0.00 174.62 175.31 1qgb n TYR 48 N -1.75 0.00 0.00 0.00 4.02 -1.16 -2.29 117.16 115.98 1qgb n TYR 48 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.96 1qgb n TYR 48 Cb 0.54 0.07 0.00 0.00 -0.02 0.00 0.00 39.34 39.92 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 2.84 3.52 7.00 2.72 0.00 -1.26 -4.17 105.19 115.83 1qgb n GLY 49 Ca 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.51 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 0.08 1.75 0.06 -0.02 0.00 -1.26 -3.04 105.19 102.76 1qgb n GLY 50 Ca 0.00 -0.24 0.01 0.00 0.00 0.00 0.00 46.02 45.79 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 10.04 0.76 0.16 1.61 2.88 -1.26 -4.64 113.62 123.17 1qgb n SER 51 Ca 0.00 -0.88 0.18 0.00 -1.33 0.00 0.00 58.87 56.84 1qgb n SER 51 Cb 0.00 0.41 0.79 0.00 -0.75 0.00 0.00 64.21 64.66 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 0.30 0.00 0.00 -1.46 3.08 -1.92 -3.47 114.38 110.90 1qgb h ARG 52 Ca 0.00 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.13 1qgb h ARG 52 Cb 0.08 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 1qgb h ARG 52 CO 0.00 0.00 -0.11 0.41 -1.07 0.00 0.00 179.97 179.20 1qgb n GLY 53 N -1.45 -1.68 2.93 0.04 0.00 -1.26 -4.86 105.19 98.91 1qgb n GLY 53 Ca 0.04 -1.24 -0.26 0.00 0.00 0.00 0.00 46.02 44.56 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 -0.61 1.43 0.18 1.61 -0.12 -1.25 -3.00 117.98 116.21 1qgb s PHE 54 Ca 0.00 -0.66 -0.11 0.00 -0.05 0.00 0.00 56.93 56.11 1qgb s PHE 54 Cb 0.00 -1.16 -0.07 0.00 -0.63 0.00 0.00 43.02 41.16 1qgb s PHE 54 CO 0.00 -0.44 0.53 1.21 -0.05 0.00 0.00 175.22 176.46 1qgb s ASN 55 N 1.45 6.69 0.06 1.98 3.84 -1.16 -4.69 114.94 123.11 1qgb s ASN 55 Ca -0.00 0.95 0.01 0.00 0.21 0.00 0.00 52.86 54.03 1qgb s ASN 55 Cb -0.13 -2.24 -0.03 0.00 -0.55 0.00 0.00 41.25 38.30 1qgb s ASN 55 CO -0.05 0.02 -0.06 0.00 -2.79 0.00 0.00 177.10 174.22 1qgb s GLU 57 N -3.05 0.15 0.01 0.00 2.02 -1.01 -4.91 118.70 111.91 1qgb s GLU 57 Ca 0.02 0.36 -0.34 0.00 0.02 0.00 0.00 54.97 55.03 1qgb s GLU 57 Cb 0.01 -0.07 -0.17 0.00 0.10 0.00 0.00 34.13 33.99 1qgb s GLU 57 CO -0.04 -0.11 0.91 0.45 0.02 0.00 0.00 175.26 176.48 1qgb n SER 58 N 3.78 -0.06 -4.47 -0.19 2.88 -1.26 -2.66 113.62 111.64 1qgb n SER 58 Ca -0.21 1.01 -0.64 0.00 -1.33 0.00 0.00 58.87 57.70 1qgb n SER 58 Cb 0.54 -0.80 -0.10 0.00 -0.75 0.00 0.00 64.21 63.10 1qgb n SER 58 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1qgb n LYS 59 N 1.28 0.00 -1.33 -1.46 4.76 0.72 -4.82 118.16 117.32 1qgb n LYS 59 Ca 0.17 0.00 -0.37 0.00 -2.87 0.00 0.00 58.31 55.25 1qgb n LYS 59 Cb 0.08 -1.43 0.06 0.00 -1.84 0.00 0.00 35.03 31.90 1qgb n LYS 59 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 1qgb n PRO 60 N 4.26 0.39 -0.05 1.97 -0.02 -1.26 -4.89 135.00 135.40 1qgb n PRO 60 Ca 0.33 0.17 -0.09 0.00 -2.02 0.00 0.00 63.50 61.89 1qgb n PRO 60 Cb -0.05 -1.86 -0.02 0.00 -0.02 0.00 0.00 33.50 31.54 1qgb n PRO 60 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1qgb h GLU 61 N -0.20 -0.29 -5.08 -0.52 5.08 -2.02 -3.38 114.58 108.18 1qgb h GLU 61 Ca -0.46 0.02 -0.65 0.00 -1.00 0.00 0.00 59.36 57.27 1qgb h GLU 61 Cb 1.36 0.07 -0.26 0.00 0.50 0.00 0.00 28.75 30.41 1qgb h GLU 61 CO 0.44 -0.19 -0.71 0.00 -1.00 0.00 0.00 179.01 177.55 1qgb s ALA 62 N -6.03 2.85 -0.08 3.43 0.00 -1.26 -4.96 121.76 115.71 1qgb s ALA 62 Ca -0.15 -1.08 -0.01 0.00 0.00 0.00 0.00 51.96 50.72 1qgb s ALA 62 Cb 0.12 -1.66 -0.05 0.00 0.00 0.00 0.00 23.12 21.54 1qgb s ALA 62 CO 0.67 -0.25 -0.08 -1.91 0.00 0.00 0.00 175.76 174.18 1qgb n GLU 63 N 4.46 0.19 -1.79 0.00 2.13 -1.26 -4.87 120.64 119.49 1qgb n GLU 63 Ca -0.18 0.06 -0.20 0.00 0.66 0.00 0.00 57.16 57.50 1qgb n GLU 63 Cb 0.51 -1.03 -0.09 0.00 0.27 0.00 0.00 31.44 31.11 1qgb n GLU 63 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1qgb s GLU 64 N -2.16 1.78 -0.12 5.31 2.02 -1.26 -3.72 118.70 120.55 1qgb s GLU 64 Ca -0.11 -0.53 -0.33 0.00 0.02 0.00 0.00 54.97 54.02 1qgb s GLU 64 Cb 0.03 -5.05 0.14 0.00 0.10 0.00 0.00 34.13 29.36 1qgb s GLU 64 CO 0.17 -4.69 1.33 0.95 0.02 0.00 0.00 175.26 173.04 1qgb s THR 65 N 14.19 0.00 0.38 3.63 -4.23 -1.26 -4.45 115.64 123.90 1qgb s THR 65 Ca 0.78 -0.09 -0.14 0.00 -1.18 0.00 0.00 61.69 61.05 1qgb s THR 65 Cb -0.05 -1.63 0.05 0.00 1.34 0.00 0.00 72.50 72.21 1qgb s THR 65 CO 0.13 0.00 0.76 0.00 -0.54 0.00 0.00 174.62 174.98 1qgb s PHE 67 N -2.38 1.95 -0.82 0.00 2.19 -1.26 -2.62 117.98 115.03 1qgb s PHE 67 Ca 0.17 -2.52 -0.20 0.00 0.33 0.00 0.00 56.93 54.71 1qgb s PHE 67 Cb -0.05 -1.70 -0.19 0.00 -1.31 0.00 0.00 43.02 39.78 1qgb s PHE 67 CO 0.12 -0.75 2.15 -0.40 1.83 0.00 0.00 175.22 178.18 1qgb n ASP 68 N 3.06 0.61 -0.34 6.13 5.75 -1.26 -4.74 116.55 125.76 1qgb n ASP 68 Ca 0.17 -1.50 0.14 0.00 -0.01 0.00 0.00 54.79 53.59 1qgb n ASP 68 Cb 0.39 -1.33 0.27 0.00 -1.03 0.00 0.00 41.12 39.42 1qgb n ASP 68 CO 0.00 0.00 0.00 0.07 -0.11 0.00 0.00 177.20 177.16 1qgb h LYS 69 N 11.74 0.01 0.00 0.11 2.10 -1.95 2.03 116.57 130.61 1qgb h LYS 69 Ca 0.01 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.66 1qgb h LYS 69 Cb 1.03 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.36 1qgb h LYS 69 CO 1.14 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 179.25 1qgb n TYR 70 N -5.51 0.00 -0.05 0.07 4.02 -1.26 -3.62 117.16 110.81 1qgb n TYR 70 Ca 0.22 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.90 1qgb n TYR 70 Cb 0.73 -0.21 -0.13 0.00 -0.02 0.00 0.00 39.34 39.71 1qgb n TYR 70 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 1qgb n THR 71 N -1.88 1.66 0.00 -0.72 -1.04 -0.85 -5.01 114.28 106.44 1qgb n THR 71 Ca 0.00 -0.56 0.00 0.00 -2.04 0.00 0.00 64.05 61.45 1qgb n THR 71 Cb 0.00 -1.67 0.00 0.00 -1.82 0.00 0.00 70.33 66.84 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 1.99 0.67 3.56 3.41 0.00 0.68 -5.05 105.19 110.45 1qgb n GLY 72 Ca -0.38 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.87 5.73 0.10 1.61 -0.87 -1.26 -4.61 114.94 113.79 1qgb s ASN 73 Ca 0.00 0.30 -0.34 0.00 -1.57 0.00 0.00 52.86 51.24 1qgb s ASN 73 Cb 0.00 -2.54 -0.18 0.00 -0.02 0.00 0.00 41.25 38.51 1qgb s ASN 73 CO 0.00 -2.02 0.90 0.41 -2.57 0.00 0.00 177.10 173.81 1qgb n THR 74 N 6.99 0.88 -4.31 1.60 -1.04 -1.26 -4.24 114.28 112.90 1qgb n THR 74 Ca 0.15 -0.22 -0.14 0.00 -2.04 0.00 0.00 64.05 61.81 1qgb n THR 74 Cb 0.50 -0.17 -0.03 0.00 -1.82 0.00 0.00 70.33 68.81 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 0.98 0.40 -4.38 -1.42 4.01 -1.08 -4.94 117.16 110.73 1qgb n TYR 75 Ca 0.18 -1.13 -0.29 0.00 -0.16 0.00 0.00 57.90 56.50 1qgb n TYR 75 Cb 0.17 -0.11 -0.12 0.00 -0.31 0.00 0.00 39.34 38.97 1qgb n TYR 75 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1qgb s ARG 76 N -2.78 1.67 0.48 -0.72 3.52 -1.26 -1.45 118.95 118.41 1qgb s ARG 76 Ca 0.02 -1.22 0.18 0.00 -0.13 0.00 0.00 55.73 54.58 1qgb s ARG 76 Cb 0.00 -2.04 1.18 0.00 -1.56 0.00 0.00 34.95 32.53 1qgb s ARG 76 CO 0.02 0.47 2.05 -0.24 -0.81 0.00 0.00 175.30 176.79 1qgb h VAL 77 N 3.71 0.97 -0.43 7.11 3.04 -1.78 -1.23 116.25 127.65 1qgb h VAL 77 Ca -0.50 -0.48 0.00 0.00 -1.01 0.00 0.00 66.70 64.71 1qgb h VAL 77 Cb 1.17 1.27 0.00 0.00 -2.01 0.00 0.00 31.29 31.72 1qgb h VAL 77 CO 0.44 0.13 0.00 0.61 -1.01 0.00 0.00 177.57 177.74 1qgb n GLY 78 N -1.05 1.20 3.30 3.17 0.00 -1.26 -4.75 105.19 105.80 1qgb n GLY 78 Ca -0.02 -0.48 -0.21 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.94 2.49 0.30 1.61 -1.08 -0.47 -5.11 116.67 113.47 1qgb s ASP 79 Ca 0.30 -0.81 0.05 0.00 -0.52 0.00 0.00 52.55 51.57 1qgb s ASP 79 Cb 0.16 -0.13 -0.06 0.00 -1.46 0.00 0.00 42.92 41.43 1qgb s ASP 79 CO 0.19 -0.04 0.01 0.28 0.52 0.00 0.00 175.17 176.13 1qgb s THR 80 N -1.87 1.38 0.03 1.71 -1.32 -1.26 -3.19 115.64 111.13 1qgb s THR 80 Ca 0.12 -2.05 -0.13 0.00 -1.21 0.00 0.00 61.69 58.42 1qgb s THR 80 Cb -0.07 -2.64 0.02 0.00 -1.51 0.00 0.00 72.50 68.31 1qgb s THR 80 CO 0.05 -0.14 0.29 -0.72 -2.21 0.00 0.00 174.62 171.89 1qgb s TYR 81 N -3.17 -0.10 0.32 9.09 1.13 -0.68 -4.96 117.35 118.98 1qgb s TYR 81 Ca 0.33 -0.01 0.07 0.00 -1.41 0.00 0.00 57.07 56.05 1qgb s TYR 81 Cb 0.07 0.08 -0.02 0.00 -1.10 0.00 0.00 41.96 40.99 1qgb s TYR 81 CO 0.14 -0.48 0.39 -2.00 -2.51 0.00 0.00 175.55 171.09 1qgb s GLU 82 N -2.36 3.00 0.00 -3.49 2.12 -1.26 -2.15 118.70 114.55 1qgb s GLU 82 Ca -0.06 -1.09 0.00 0.00 0.36 0.00 0.00 54.97 54.17 1qgb s GLU 82 Cb -0.02 -2.70 0.00 0.00 0.26 0.00 0.00 34.13 31.68 1qgb s GLU 82 CO -0.02 0.11 0.00 0.54 -0.54 0.00 0.00 175.26 175.35 1qgb n ARG 83 N -1.51 0.00 -1.16 4.30 5.12 -1.26 -4.90 116.66 117.24 1qgb n ARG 83 Ca -0.02 0.00 -0.31 0.00 -1.93 0.00 0.00 57.85 55.60 1qgb n ARG 83 Cb 0.59 0.00 0.12 0.00 -1.16 0.00 0.00 32.46 32.00 1qgb n ARG 83 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1qgb s PRO 84 N 0.00 1.78 0.00 5.56 0.04 -1.26 -3.72 135.00 137.39 1qgb s PRO 84 Ca 0.00 1.12 0.00 0.00 0.04 0.00 0.00 61.00 62.16 1qgb s PRO 84 Cb 0.00 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.69 1qgb s PRO 84 CO 0.00 -1.96 0.00 1.17 0.04 0.00 0.00 177.00 176.25 1qgb n LYS 85 N -3.73 0.00 -1.51 4.56 3.00 0.51 -4.92 118.16 116.06 1qgb n LYS 85 Ca 0.09 0.00 -0.18 0.00 -0.00 0.00 0.00 58.31 58.22 1qgb n LYS 85 Cb 0.53 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 35.49 1qgb n LYS 85 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1qgb n ASP 86 N 0.00 -4.65 0.00 3.14 9.92 -1.26 0.23 116.55 123.93 1qgb n ASP 86 Ca 0.00 0.44 0.00 0.00 -0.53 0.00 0.00 54.79 54.70 1qgb n ASP 86 Cb 0.00 -4.18 0.00 0.00 -0.64 0.00 0.00 41.12 36.30 1qgb n ASP 86 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1qgb n SER 87 N -1.01 -2.68 -3.59 -2.24 2.88 -1.26 -5.01 113.62 100.72 1qgb n SER 87 Ca -0.18 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.30 1qgb n SER 87 Cb 0.58 -0.45 -0.01 0.00 -0.75 0.00 0.00 64.21 63.59 1qgb n SER 87 CO 0.00 0.00 0.00 -0.32 -1.23 0.00 0.00 175.04 173.49 1qgb s MET 88 N -1.55 1.71 -0.03 -1.46 -2.45 0.14 -5.16 119.30 110.50 1qgb s MET 88 Ca 0.00 -1.00 -0.09 0.00 -1.25 0.00 0.00 55.69 53.34 1qgb s MET 88 Cb 0.00 0.55 -0.05 0.00 1.25 0.00 0.00 34.83 36.58 1qgb s MET 88 CO 0.00 -0.79 0.28 0.42 1.05 0.00 0.00 175.02 175.98 1qgb s ILE 89 N -3.27 5.27 -0.39 10.11 1.01 -1.26 0.19 121.20 132.85 1qgb s ILE 89 Ca 0.13 0.40 0.03 0.00 0.00 0.00 0.00 60.65 61.22 1qgb s ILE 89 Cb -0.04 -3.56 0.16 0.00 0.01 0.00 0.00 42.46 39.02 1qgb s ILE 89 CO 0.07 0.50 0.34 0.26 0.00 0.00 0.00 174.94 176.11 1qgb s TRP 90 N -1.16 0.53 -0.94 3.97 0.52 -1.24 -1.13 118.94 119.48 1qgb s TRP 90 Ca 0.23 -1.74 -0.13 0.00 0.02 0.00 0.00 56.10 54.48 1qgb s TRP 90 Cb -0.14 -0.73 -0.30 0.00 -1.15 0.00 0.00 33.47 31.16 1qgb s TRP 90 CO 0.12 -0.89 2.15 -0.25 0.02 0.00 0.00 176.95 178.09 1qgb n ASP 91 N 3.43 -1.02 -4.71 2.95 9.92 0.46 -3.75 116.55 123.83 1qgb n ASP 91 Ca 0.21 -0.37 -0.41 0.00 -0.53 0.00 0.00 54.79 53.69 1qgb n ASP 91 Cb 0.45 -0.58 -0.03 0.00 -0.64 0.00 0.00 41.12 40.31 1qgb n ASP 91 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1qgb s THR 93 N 1.10 2.94 -0.83 0.00 2.01 0.06 -1.69 115.64 119.23 1qgb s THR 93 Ca 0.48 -0.74 -0.26 0.00 0.31 0.00 0.00 61.69 61.48 1qgb s THR 93 Cb -0.20 -2.18 -0.16 0.00 0.01 0.00 0.00 72.50 69.98 1qgb s THR 93 CO 0.24 0.56 2.37 0.00 -0.69 0.00 0.00 174.62 177.11 1qgb s ILE 95 N 14.99 4.28 0.00 0.00 1.01 -1.26 -4.39 121.20 135.83 1qgb s ILE 95 Ca 0.92 -3.08 0.00 0.00 0.00 0.00 0.00 60.65 58.49 1qgb s ILE 95 Cb -0.13 -3.72 0.00 0.00 0.01 0.00 0.00 42.46 38.62 1qgb s ILE 95 CO 0.10 -0.96 0.00 0.61 0.00 0.00 0.00 174.94 174.69 1qgb n GLY 96 N 3.30 0.05 2.84 6.18 0.00 -1.26 -1.24 105.19 115.06 1qgb n GLY 96 Ca 0.12 -0.03 -0.19 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.65 -0.84 0.00 4.61 0.00 -1.21 -3.86 120.51 118.57 1qgb n ALA 97 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1qgb n ALA 97 Cb 0.00 -3.44 0.00 0.00 0.00 0.00 0.00 19.45 16.01 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 -1.42 0.51 0.00 0.00 0.00 0.40 -4.27 105.19 100.42 1qgb n GLY 98 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 1.74 -1.25 -4.89 116.66 113.87 1qgb n ARG 99 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1qgb n ARG 99 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1qgb n ARG 99 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1qgb n GLY 100 N 0.00 1.29 0.00 -0.13 0.00 -1.26 -4.42 105.19 100.68 1qgb n GLY 100 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 0.00 0.00 -1.61 1.61 0.00 -0.37 -4.97 116.66 111.32 1qgb n ARG 101 Ca 0.00 0.00 -0.51 0.00 -0.00 0.00 0.00 57.85 57.34 1qgb n ARG 101 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 32.46 32.40 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 0.38 -2.88 8.89 -0.00 -1.24 -4.48 119.36 120.03 1qgb n ILE 102 Ca 0.00 -0.16 -0.40 0.00 -0.00 0.00 0.00 62.75 62.20 1qgb n ILE 102 Cb 0.00 -1.67 -0.06 0.00 -0.00 0.00 0.00 39.64 37.91 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 5.18 7.50 -0.27 4.38 0.15 -1.12 -4.85 113.70 124.67 1qgb s SER 103 Ca 1.00 1.78 -0.02 0.00 0.70 0.00 0.00 55.95 59.41 1qgb s SER 103 Cb -0.83 -2.55 0.03 0.00 -1.71 0.00 0.00 66.02 60.97 1qgb s SER 103 CO 0.54 0.18 -0.04 0.00 1.20 0.00 0.00 173.24 175.12 1qgb s THR 105 N 1.30 5.10 0.65 0.00 -4.23 -0.95 -4.86 115.64 112.65 1qgb s THR 105 Ca -0.02 -0.43 -0.18 0.00 -1.18 0.00 0.00 61.69 59.88 1qgb s THR 105 Cb -0.18 -4.06 -0.02 0.00 1.34 0.00 0.00 72.50 69.59 1qgb s THR 105 CO -0.03 -0.45 1.19 0.00 -0.54 0.00 0.00 174.62 174.79 1qgb n ILE 106 N 5.41 4.50 -3.68 2.99 0.00 -1.26 -0.40 119.36 126.91 1qgb n ILE 106 Ca -0.08 -0.49 -0.36 0.00 0.00 0.00 0.00 62.75 61.83 1qgb n ILE 106 Cb 0.47 -1.38 -0.09 0.00 0.00 0.00 0.00 39.64 38.64 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 -1.46 3.64 -0.37 1.51 0.00 -0.29 -4.82 121.76 119.97 1qgb s ALA 107 Ca 0.81 -0.82 0.11 0.00 0.00 0.00 0.00 51.96 52.07 1qgb s ALA 107 Cb -0.38 -2.27 -0.14 0.00 0.00 0.00 0.00 23.12 20.32 1qgb s ALA 107 CO 0.42 -0.06 0.41 -1.71 0.00 0.00 0.00 175.76 174.82 1qgb n ASN 108 N 4.01 1.11 -0.39 0.00 2.85 -1.26 -4.85 115.26 116.72 1qgb n ASN 108 Ca -0.15 -0.52 0.05 0.00 -0.11 0.00 0.00 54.58 53.85 1qgb n ASN 108 Cb 0.52 1.18 0.04 0.00 1.24 0.00 0.00 39.78 42.76 1qgb n ASN 108 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69