#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 2.83 0.88 4.33 2.20 -1.26 -5.13 119.74 123.60 1qgb s LYS 18 Ca 0.00 -0.77 -0.13 0.00 -0.36 0.00 0.00 55.97 54.72 1qgb s LYS 18 Cb 0.00 -2.39 0.12 0.00 -1.51 0.00 0.00 37.83 34.05 1qgb s LYS 18 CO 0.00 0.39 1.16 -1.25 -0.36 0.00 0.00 175.35 175.30 1qgb s PRO 19 N -0.15 1.35 0.00 4.03 0.04 -1.26 -5.02 135.00 133.99 1qgb s PRO 19 Ca -0.02 0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.20 1qgb s PRO 19 Cb -0.14 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.53 1qgb s PRO 19 CO 0.04 -2.03 0.00 0.41 0.04 0.00 0.00 177.00 175.46 1qgb n GLY 20 N -2.67 2.44 3.09 0.56 0.00 -1.26 -4.97 105.19 102.38 1qgb n GLY 20 Ca 0.08 -2.04 -0.36 0.00 0.00 0.00 0.00 46.02 43.70 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 -0.69 3.06 -0.18 0.00 6.14 -1.26 -3.14 117.35 121.29 1qgb s TYR 22 Ca 0.22 1.11 -0.29 0.00 0.64 0.00 0.00 57.07 58.75 1qgb s TYR 22 Cb -0.14 -3.47 0.12 0.00 0.42 0.00 0.00 41.96 38.89 1qgb s TYR 22 CO -0.08 -1.55 0.98 -0.51 0.64 0.00 0.00 175.55 175.03 1qgb s ASP 23 N 1.65 -0.41 -1.35 4.32 1.11 0.22 -4.96 116.67 117.25 1qgb s ASP 23 Ca 0.57 0.54 -0.09 0.00 0.18 0.00 0.00 52.55 53.75 1qgb s ASP 23 Cb -0.25 0.46 0.00 0.00 1.07 0.00 0.00 42.92 44.21 1qgb s ASP 23 CO 0.21 -0.32 0.46 -0.46 1.18 0.00 0.00 175.17 176.24 1qgb n ASN 24 N 1.10 -1.62 -1.45 0.27 6.94 -1.26 0.89 115.26 120.13 1qgb n ASN 24 Ca -0.11 -1.10 -0.15 0.00 -0.02 0.00 0.00 54.58 53.20 1qgb n ASN 24 Cb 0.57 -2.66 -0.06 0.00 -2.36 0.00 0.00 39.78 35.27 1qgb n ASN 24 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1qgb n GLY 25 N -2.05 1.34 3.12 4.83 0.00 -1.26 -4.93 105.19 106.25 1qgb n GLY 25 Ca -0.24 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.29 1.90 -0.67 1.61 3.01 0.26 -5.09 119.74 117.48 1qgb s LYS 26 Ca 0.00 -0.60 0.03 0.00 -1.01 0.00 0.00 55.97 54.39 1qgb s LYS 26 Cb 0.00 -1.61 0.16 0.00 -1.01 0.00 0.00 37.83 35.38 1qgb s LYS 26 CO 0.00 0.20 0.46 -1.58 0.51 0.00 0.00 175.35 174.94 1qgb s HIS 27 N 0.19 3.48 0.77 3.18 2.46 -1.26 0.73 115.29 124.84 1qgb s HIS 27 Ca -0.07 -3.19 -0.12 0.00 0.47 0.00 0.00 55.06 52.15 1qgb s HIS 27 Cb -0.13 -2.87 0.06 0.00 -0.13 0.00 0.00 32.58 29.51 1qgb s HIS 27 CO 0.03 -0.66 1.15 0.71 -2.47 0.00 0.00 174.74 173.50 1qgb s TYR 28 N -0.96 3.09 0.57 3.88 1.51 -1.19 -4.83 117.35 119.41 1qgb s TYR 28 Ca 0.22 0.87 0.01 0.00 -1.01 0.00 0.00 57.07 57.16 1qgb s TYR 28 Cb -0.13 -3.33 0.04 0.00 -0.11 0.00 0.00 41.96 38.43 1qgb s TYR 28 CO -0.10 -1.56 0.80 -0.65 -1.11 0.00 0.00 175.55 172.93 1qgb s GLN 29 N -5.49 2.46 0.68 -0.62 -0.21 -1.26 -1.29 119.66 113.93 1qgb s GLN 29 Ca 0.61 -0.81 -0.16 0.00 0.02 0.00 0.00 55.36 55.02 1qgb s GLN 29 Cb -0.11 -2.47 0.01 0.00 1.00 0.00 0.00 33.01 31.44 1qgb s GLN 29 CO 0.50 -0.78 1.17 0.42 -2.12 0.00 0.00 175.29 174.48 1qgb s ILE 30 N -2.80 2.69 -1.29 1.08 1.09 -1.26 -2.57 121.20 118.14 1qgb s ILE 30 Ca 0.58 0.35 0.00 0.00 -1.10 0.00 0.00 60.65 60.48 1qgb s ILE 30 Cb -0.10 -2.92 0.00 0.00 -1.06 0.00 0.00 42.46 38.38 1qgb s ILE 30 CO 0.39 -0.17 0.00 0.59 -0.10 0.00 0.00 174.94 175.65 1qgb n ASN 31 N -2.42 -4.23 -4.85 3.58 3.02 0.00 -4.92 115.26 105.43 1qgb n ASN 31 Ca 0.12 0.30 -0.37 0.00 -0.03 0.00 0.00 54.58 54.60 1qgb n ASN 31 Cb 0.51 -3.55 -0.06 0.00 -0.61 0.00 0.00 39.78 36.07 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 -2.91 3.69 0.06 3.52 -0.44 -1.06 -4.85 119.66 117.66 1qgb s GLN 32 Ca 0.00 0.10 0.03 0.00 -2.50 0.00 0.00 55.36 52.99 1qgb s GLN 32 Cb 0.00 -3.22 -0.04 0.00 -1.64 0.00 0.00 33.01 28.11 1qgb s GLN 32 CO 0.00 0.71 0.04 -0.65 0.50 0.00 0.00 175.29 175.88 1qgb s GLN 33 N -0.94 2.76 0.00 1.67 -0.21 -1.26 -1.16 119.66 120.52 1qgb s GLN 33 Ca 0.18 -0.71 0.00 0.00 0.02 0.00 0.00 55.36 54.85 1qgb s GLN 33 Cb -0.14 -2.66 0.00 0.00 1.00 0.00 0.00 33.01 31.21 1qgb s GLN 33 CO 0.08 0.57 0.00 -2.67 -2.12 0.00 0.00 175.29 171.15 1qgb n TRP 34 N 0.73 -0.53 -4.65 0.91 2.14 -0.11 -5.01 117.44 110.91 1qgb n TRP 34 Ca -0.11 0.00 -0.33 0.00 2.07 0.00 0.00 57.50 59.14 1qgb n TRP 34 Cb 0.52 0.00 -0.16 0.00 -0.81 0.00 0.00 31.31 30.86 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 -1.22 3.06 -0.14 -2.67 2.02 -1.26 -0.86 118.70 117.63 1qgb s GLU 35 Ca 0.00 -0.83 0.02 0.00 0.02 0.00 0.00 54.97 54.18 1qgb s GLU 35 Cb 0.00 -2.47 0.01 0.00 0.10 0.00 0.00 34.13 31.77 1qgb s GLU 35 CO 0.00 -0.00 -0.19 0.50 0.02 0.00 0.00 175.26 175.59 1qgb s ARG 36 N 0.80 2.76 -0.15 1.61 3.52 0.61 -4.85 118.95 123.25 1qgb s ARG 36 Ca -0.07 -0.75 -0.08 0.00 -0.13 0.00 0.00 55.73 54.69 1qgb s ARG 36 Cb -0.16 -2.31 -0.04 0.00 -1.56 0.00 0.00 34.95 30.88 1qgb s ARG 36 CO -0.01 -0.09 0.14 0.99 -0.81 0.00 0.00 175.30 175.51 1qgb s THR 37 N 1.03 5.47 -0.12 4.11 2.01 -1.26 0.12 115.64 127.00 1qgb s THR 37 Ca -0.03 0.21 -0.16 0.00 0.31 0.00 0.00 61.69 62.02 1qgb s THR 37 Cb -0.15 -3.43 0.04 0.00 0.01 0.00 0.00 72.50 68.97 1qgb s THR 37 CO -0.05 0.55 0.42 -0.47 -0.69 0.00 0.00 174.62 174.38 1qgb s TYR 38 N -0.51 -0.43 -1.50 4.92 6.14 -0.37 -4.90 117.35 120.71 1qgb s TYR 38 Ca 0.13 0.97 -0.12 0.00 0.64 0.00 0.00 57.07 58.69 1qgb s TYR 38 Cb -0.12 0.16 0.07 0.00 0.42 0.00 0.00 41.96 42.50 1qgb s TYR 38 CO 0.02 -0.29 0.95 1.28 0.64 0.00 0.00 175.55 178.15 1qgb n LEU 39 N 2.39 -2.62 -3.38 6.97 4.32 -1.26 -1.92 117.00 121.50 1qgb n LEU 39 Ca -0.15 -0.78 -0.17 0.00 -0.02 0.00 0.00 56.01 54.89 1qgb n LEU 39 Cb 0.57 -2.57 0.09 0.00 -1.62 0.00 0.00 43.42 39.88 1qgb n LEU 39 CO 0.15 0.47 0.10 0.61 -1.22 0.00 0.00 177.39 177.50 1qgb n GLY 40 N -1.69 -0.39 3.35 -0.72 0.00 -1.26 -5.02 105.19 99.46 1qgb n GLY 40 Ca -0.00 0.12 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 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 -4.29 -0.35 -0.39 1.61 0.01 -0.81 -5.14 114.94 105.59 1qgb s ASN 41 Ca 0.03 0.11 -0.14 0.00 -0.71 0.00 0.00 52.86 52.14 1qgb s ASN 41 Cb -0.00 0.45 0.01 0.00 0.41 0.00 0.00 41.25 42.12 1qgb s ASN 41 CO 0.72 -0.66 0.28 0.00 -1.51 0.00 0.00 177.10 175.92 1qgb s ALA 42 N -2.31 3.46 -0.09 0.60 0.00 -1.26 -1.23 121.76 120.94 1qgb s ALA 42 Ca -0.06 -1.65 0.05 0.00 0.00 0.00 0.00 51.96 50.29 1qgb s ALA 42 Cb -0.01 -2.81 -0.00 0.00 0.00 0.00 0.00 23.12 20.29 1qgb s ALA 42 CO -0.01 -1.35 -0.24 -0.51 0.00 0.00 0.00 175.76 173.65 1qgb s LEU 43 N 1.68 2.09 -0.01 0.00 2.01 0.12 -1.52 118.68 123.04 1qgb s LEU 43 Ca 0.05 -0.54 -0.30 0.00 0.01 0.00 0.00 54.13 53.34 1qgb s LEU 43 Cb -0.19 -1.40 -0.03 0.00 0.01 0.00 0.00 46.19 44.58 1qgb s LEU 43 CO 0.10 0.18 1.07 -0.69 1.01 0.00 0.00 176.35 178.02 1qgb s VAL 44 N 0.21 4.55 -0.00 -1.59 1.01 0.93 0.22 120.40 125.73 1qgb s VAL 44 Ca -0.15 1.83 0.03 0.00 0.00 0.00 0.00 61.98 63.69 1qgb s VAL 44 Cb -0.17 -4.18 -0.03 0.00 0.00 0.00 0.00 36.38 32.00 1qgb s VAL 44 CO 0.08 0.10 -0.05 0.00 0.00 0.00 0.00 175.10 175.23 1qgb s THR 46 N -1.01 0.53 0.29 0.00 2.01 -1.26 -0.94 115.64 115.26 1qgb s THR 46 Ca 0.17 -0.54 -0.29 0.00 0.31 0.00 0.00 61.69 61.34 1qgb s THR 46 Cb -0.11 -1.02 -0.10 0.00 0.01 0.00 0.00 72.50 71.28 1qgb s THR 46 CO 0.08 -0.19 1.32 0.00 -0.69 0.00 0.00 174.62 175.13 1qgb n TYR 48 N 1.36 0.00 0.00 0.00 4.02 -1.26 -0.82 117.16 120.46 1qgb n TYR 48 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.91 1qgb n TYR 48 Cb 0.42 -0.66 0.00 0.00 -0.02 0.00 0.00 39.34 39.08 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 1.77 0.93 7.00 2.72 0.00 -1.26 -4.15 105.19 112.20 1qgb n GLY 49 Ca -0.35 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 43.50 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 -1.37 2.28 0.62 -0.02 0.00 -1.26 -0.84 105.19 104.60 1qgb n GLY 50 Ca 0.00 0.28 0.07 0.00 0.00 0.00 0.00 46.02 46.37 1qgb n GLY 50 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1qgb n SER 51 N 2.23 2.42 -0.29 1.61 3.41 -1.26 -4.56 113.62 117.18 1qgb n SER 51 Ca 0.00 -1.69 -0.03 0.00 -0.26 0.00 0.00 58.87 56.89 1qgb n SER 51 Cb 0.00 -0.07 0.09 0.00 -0.26 0.00 0.00 64.21 63.97 1qgb n SER 51 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1qgb h ARG 52 N 2.71 1.01 -3.90 4.33 3.08 -1.38 -3.49 114.38 116.74 1qgb h ARG 52 Ca 0.00 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1qgb h ARG 52 Cb 0.64 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1qgb h ARG 52 CO 0.00 0.67 -0.95 0.41 -1.07 0.00 0.00 179.97 179.03 1qgb n GLY 53 N -1.32 -4.34 3.68 0.04 0.00 -1.22 -4.84 105.19 97.20 1qgb n GLY 53 Ca 0.09 -0.69 -0.37 0.00 0.00 0.00 0.00 46.02 45.05 1qgb n GLY 53 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1qgb n PHE 54 N -1.53 1.44 -0.09 1.61 1.16 -1.26 -4.58 117.46 114.21 1qgb n PHE 54 Ca 0.00 0.42 -0.10 0.00 -1.87 0.00 0.00 57.45 55.90 1qgb n PHE 54 Cb 0.18 -2.21 -0.11 0.00 -1.61 0.00 0.00 39.48 35.73 1qgb n PHE 54 CO 0.00 0.00 0.00 -1.71 -1.87 0.00 0.00 176.76 173.18 1qgb n ASN 55 N -1.54 1.64 -1.62 5.98 2.85 -1.26 -4.97 115.26 116.34 1qgb n ASN 55 Ca 0.15 -0.04 0.00 0.00 -0.11 0.00 0.00 54.58 54.58 1qgb n ASN 55 Cb 0.48 0.41 0.00 0.00 1.24 0.00 0.00 39.78 41.91 1qgb n ASN 55 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1qgb n GLU 57 N -2.33 0.00 -0.33 0.00 4.07 -0.12 -4.97 120.64 116.97 1qgb n GLU 57 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1qgb n GLU 57 Cb 0.40 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.78 1qgb n GLU 57 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1qgb n SER 58 N -0.11 0.00 -3.38 4.31 2.88 -1.26 -4.59 113.62 111.47 1qgb n SER 58 Ca 0.00 -0.30 -0.22 0.00 -1.33 0.00 0.00 58.87 57.03 1qgb n SER 58 Cb 0.00 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.37 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 0.11 0.64 -0.21 -1.46 2.36 -0.58 -0.05 119.74 120.55 1qgb s LYS 59 Ca 0.00 -1.14 -0.26 0.00 -2.55 0.00 0.00 55.97 52.01 1qgb s LYS 59 Cb 0.00 -0.97 -0.31 0.00 -1.05 0.00 0.00 37.83 35.51 1qgb s LYS 59 CO 0.00 -1.22 1.57 -2.30 1.55 0.00 0.00 175.35 174.95 1qgb n PRO 60 N 4.01 0.02 0.22 4.03 -0.02 -1.26 -4.59 135.00 137.41 1qgb n PRO 60 Ca 0.13 -1.02 0.15 0.00 -2.02 0.00 0.00 63.50 60.75 1qgb n PRO 60 Cb 0.43 -2.60 0.59 0.00 -0.02 0.00 0.00 33.50 31.89 1qgb n PRO 60 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1qgb h GLU 61 N 10.02 0.00 -6.30 -0.52 4.11 -1.97 -3.42 114.58 116.51 1qgb h GLU 61 Ca 0.18 0.00 -0.58 0.00 0.07 0.00 0.00 59.36 59.02 1qgb h GLU 61 Cb 0.75 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.91 1qgb h GLU 61 CO 1.67 0.00 0.72 0.00 0.07 0.00 0.00 179.01 181.47 1qgb s ALA 62 N -3.50 3.32 0.49 1.06 0.00 -1.26 -4.53 121.76 117.33 1qgb s ALA 62 Ca 0.03 -0.48 0.26 0.00 0.00 0.00 0.00 51.96 51.77 1qgb s ALA 62 Cb 0.09 -3.67 1.54 0.00 0.00 0.00 0.00 23.12 21.07 1qgb s ALA 62 CO 0.50 -1.86 2.14 1.49 0.00 0.00 0.00 175.76 178.02 1qgb h GLU 63 N 8.75 0.00 -6.42 0.00 4.81 -1.82 -3.47 114.58 116.44 1qgb h GLU 63 Ca -0.23 0.00 -0.45 0.00 -0.13 0.00 0.00 59.36 58.55 1qgb h GLU 63 Cb 1.07 0.00 0.04 0.00 0.63 0.00 0.00 28.75 30.49 1qgb h GLU 63 CO 1.04 0.08 -0.91 -1.91 -0.73 0.00 0.00 179.01 176.57 1qgb n GLU 64 N -3.83 -1.02 -0.02 1.92 2.13 -1.26 -4.91 120.64 113.64 1qgb n GLU 64 Ca -0.02 0.49 0.00 0.00 0.66 0.00 0.00 57.16 58.28 1qgb n GLU 64 Cb 0.17 -3.55 0.00 0.00 0.27 0.00 0.00 31.44 28.33 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 -3.97 0.00 -3.95 6.31 5.66 -1.25 -4.40 114.28 112.67 1qgb n THR 65 Ca -0.12 0.00 0.02 0.00 -3.05 0.00 0.00 64.05 60.89 1qgb n THR 65 Cb 0.59 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 69.38 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 -2.32 0.72 -1.38 0.00 2.19 -1.26 -3.58 117.98 112.34 1qgb s PHE 67 Ca 0.23 -0.79 -0.14 0.00 0.33 0.00 0.00 56.93 56.57 1qgb s PHE 67 Cb -0.01 -0.98 -0.02 0.00 -1.31 0.00 0.00 43.02 40.70 1qgb s PHE 67 CO 0.00 -0.65 2.36 -3.47 1.83 0.00 0.00 175.22 175.30 1qgb n ASP 68 N 5.13 4.94 -0.59 6.13 2.03 -1.24 -4.73 116.55 128.23 1qgb n ASP 68 Ca -0.07 -2.72 0.46 0.00 0.52 0.00 0.00 54.79 52.98 1qgb n ASP 68 Cb 0.46 -1.53 0.76 0.00 -0.72 0.00 0.00 41.12 40.09 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 6.02 0.02 -0.51 -0.67 2.10 -1.92 2.42 116.57 124.03 1qgb h LYS 69 Ca 0.62 -0.00 0.08 0.00 -2.00 0.00 0.00 60.65 59.35 1qgb h LYS 69 Cb 0.53 -0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.83 1qgb h LYS 69 CO 1.85 0.01 0.34 1.88 -2.00 0.00 0.00 179.45 181.54 1qgb h TYR 70 N 0.02 0.38 0.00 0.07 0.05 -1.99 -3.35 116.97 112.15 1qgb h TYR 70 Ca 0.87 0.01 0.00 0.00 0.05 0.00 0.00 58.73 59.66 1qgb h TYR 70 Cb 3.26 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 40.87 1qgb h TYR 70 CO -0.00 0.19 -0.68 2.41 -1.05 0.00 0.00 178.16 179.03 1qgb n THR 71 N -4.47 0.00 0.00 -2.88 -1.04 0.50 -5.05 114.28 101.34 1qgb n THR 71 Ca 0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 1qgb n THR 71 Cb 0.31 -0.61 0.00 0.00 -1.82 0.00 0.00 70.33 68.21 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 2.74 0.86 3.55 3.41 0.00 0.70 -5.05 105.19 111.41 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 0.21 0.00 0.00 0.00 173.32 173.53 1qgb s ASN 73 N -1.41 6.43 0.13 1.61 3.84 -1.26 -4.77 114.94 119.52 1qgb s ASN 73 Ca 0.00 -0.01 -0.31 0.00 0.21 0.00 0.00 52.86 52.74 1qgb s ASN 73 Cb 0.00 -2.37 -0.09 0.00 -0.55 0.00 0.00 41.25 38.24 1qgb s ASN 73 CO 0.00 -0.80 1.58 -0.89 -2.79 0.00 0.00 177.10 174.20 1qgb s THR 74 N 3.07 2.79 0.09 -5.21 2.01 -1.26 -3.61 115.64 113.52 1qgb s THR 74 Ca 0.28 0.49 0.00 0.00 0.31 0.00 0.00 61.69 62.78 1qgb s THR 74 Cb -0.13 -3.32 0.00 0.00 0.01 0.00 0.00 72.50 69.07 1qgb s THR 74 CO 0.20 0.03 0.03 -1.22 -0.69 0.00 0.00 174.62 172.96 1qgb n TYR 75 N 4.41 -0.38 -3.97 4.92 4.01 -1.23 -4.95 117.16 119.96 1qgb n TYR 75 Ca 0.14 -0.42 -0.35 0.00 -0.16 0.00 0.00 57.90 57.12 1qgb n TYR 75 Cb 0.39 -0.06 -0.09 0.00 -0.31 0.00 0.00 39.34 39.26 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 -2.34 4.00 0.39 -0.72 3.52 -1.26 -1.97 118.95 120.57 1qgb s ARG 76 Ca 0.02 -0.33 0.17 0.00 -0.13 0.00 0.00 55.73 55.46 1qgb s ARG 76 Cb -0.00 -3.24 1.07 0.00 -1.56 0.00 0.00 34.95 31.22 1qgb s ARG 76 CO 0.01 0.28 1.78 -0.24 -0.81 0.00 0.00 175.30 176.32 1qgb h VAL 77 N 4.84 0.55 0.00 7.11 3.04 -1.69 0.98 116.25 131.09 1qgb h VAL 77 Ca -0.37 -0.15 0.00 0.00 -1.01 0.00 0.00 66.70 65.17 1qgb h VAL 77 Cb 1.16 0.09 0.00 0.00 -2.01 0.00 0.00 31.29 30.53 1qgb h VAL 77 CO 0.71 0.08 0.00 0.61 -1.01 0.00 0.00 177.57 177.96 1qgb n GLY 78 N -1.46 -0.91 3.25 3.17 0.00 -1.26 -4.51 105.19 103.47 1qgb n GLY 78 Ca 0.25 -0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.46 4.03 0.10 1.61 -1.08 0.34 -5.11 116.67 115.10 1qgb s ASP 79 Ca 0.18 -0.51 -0.08 0.00 -0.52 0.00 0.00 52.55 51.62 1qgb s ASP 79 Cb 0.08 -1.67 -0.06 0.00 -1.46 0.00 0.00 42.92 39.82 1qgb s ASP 79 CO 0.14 -0.03 0.38 0.42 0.52 0.00 0.00 175.17 176.60 1qgb s THR 80 N 1.42 5.13 -0.13 1.71 -4.23 -1.26 -3.99 115.64 114.29 1qgb s THR 80 Ca 0.05 0.28 -0.05 0.00 -1.18 0.00 0.00 61.69 60.79 1qgb s THR 80 Cb -0.14 -3.63 0.06 0.00 1.34 0.00 0.00 72.50 70.13 1qgb s THR 80 CO -0.06 0.20 0.26 -0.72 -0.54 0.00 0.00 174.62 173.76 1qgb s TYR 81 N -1.49 -0.41 0.31 3.99 1.13 -1.18 -5.01 117.35 114.69 1qgb s TYR 81 Ca 0.36 0.95 -0.17 0.00 -1.41 0.00 0.00 57.07 56.80 1qgb s TYR 81 Cb -0.13 -0.02 -0.09 0.00 -1.10 0.00 0.00 41.96 40.62 1qgb s TYR 81 CO 0.20 -0.33 0.76 -1.83 -2.51 0.00 0.00 175.55 171.83 1qgb s GLU 82 N 2.21 4.08 -0.21 -3.49 4.04 -1.26 -2.60 118.70 121.47 1qgb s GLU 82 Ca -0.01 0.76 -0.06 0.00 0.04 0.00 0.00 54.97 55.70 1qgb s GLU 82 Cb -0.12 -2.49 0.10 0.00 0.02 0.00 0.00 34.13 31.64 1qgb s GLU 82 CO -0.09 0.18 0.43 1.03 -1.84 0.00 0.00 175.26 174.97 1qgb s ARG 83 N -2.80 0.34 -0.81 -4.83 1.81 -1.05 -4.88 118.95 106.72 1qgb s ARG 83 Ca 0.53 0.99 -0.20 0.00 -1.72 0.00 0.00 55.73 55.33 1qgb s ARG 83 Cb -0.11 0.27 -0.19 0.00 -0.45 0.00 0.00 34.95 34.46 1qgb s ARG 83 CO 0.18 -0.30 2.11 -2.30 -0.68 0.00 0.00 175.30 174.30 1qgb n PRO 84 N 5.39 0.25 -2.63 3.54 -0.02 -1.26 -3.56 135.00 136.71 1qgb n PRO 84 Ca -0.08 -0.83 -0.27 0.00 -2.02 0.00 0.00 63.50 60.30 1qgb n PRO 84 Cb 0.49 -2.94 0.00 0.00 -0.02 0.00 0.00 33.50 31.04 1qgb n PRO 84 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1qgb s LYS 85 N 7.99 3.42 0.64 -0.52 -0.14 0.19 -4.74 119.74 126.58 1qgb s LYS 85 Ca 0.85 0.12 0.00 0.00 -1.36 0.00 0.00 55.97 55.59 1qgb s LYS 85 Cb -0.22 -2.37 0.00 0.00 -1.68 0.00 0.00 37.83 33.55 1qgb s LYS 85 CO 0.19 -0.28 0.00 -0.25 -0.76 0.00 0.00 175.35 174.25 1qgb n ASP 86 N -2.29 0.00 -0.56 2.83 8.00 -1.26 0.27 116.55 123.54 1qgb n ASP 86 Ca 0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.51 1qgb n ASP 86 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.66 1qgb n ASP 86 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1qgb n SER 87 N 2.10 0.04 -3.66 -2.24 7.64 -1.26 -5.11 113.62 111.13 1qgb n SER 87 Ca 0.00 -1.82 -0.10 0.00 1.01 0.00 0.00 58.87 57.95 1qgb n SER 87 Cb 0.00 -0.16 -0.04 0.00 -1.01 0.00 0.00 64.21 63.00 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 0.00 1.74 -0.23 1.43 0.00 0.14 -5.15 119.30 117.23 1qgb s MET 88 Ca 0.02 -1.40 -0.10 0.00 0.00 0.00 0.00 55.69 54.21 1qgb s MET 88 Cb 0.02 0.49 -0.05 0.00 0.00 0.00 0.00 34.83 35.29 1qgb s MET 88 CO -0.01 -0.74 0.13 0.42 0.00 0.00 0.00 175.02 174.82 1qgb s ILE 89 N -3.55 5.17 -0.07 10.11 1.01 -1.26 0.53 121.20 133.14 1qgb s ILE 89 Ca 0.23 0.11 0.03 0.00 0.00 0.00 0.00 60.65 61.02 1qgb s ILE 89 Cb -0.01 -3.39 0.01 0.00 0.01 0.00 0.00 42.46 39.07 1qgb s ILE 89 CO 0.12 0.37 -0.16 0.26 0.00 0.00 0.00 174.94 175.54 1qgb s TRP 90 N 0.92 1.78 -0.44 3.97 0.52 -1.23 -3.39 118.94 121.06 1qgb s TRP 90 Ca 0.07 -0.68 -0.11 0.00 0.02 0.00 0.00 56.10 55.40 1qgb s TRP 90 Cb -0.13 -1.25 -0.11 0.00 -1.15 0.00 0.00 33.47 30.83 1qgb s TRP 90 CO 0.03 -0.31 1.63 -3.47 0.02 0.00 0.00 176.95 174.85 1qgb n ASP 91 N 3.69 2.22 -4.53 2.95 -0.08 0.63 -2.51 116.55 118.92 1qgb n ASP 91 Ca -0.22 -2.32 -0.24 0.00 -1.51 0.00 0.00 54.79 50.51 1qgb n ASP 91 Cb 0.52 -0.81 -0.12 0.00 2.34 0.00 0.00 41.12 43.05 1qgb n ASP 91 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1qgb s THR 93 N 9.17 4.93 -0.89 0.00 2.01 0.59 -3.12 115.64 128.33 1qgb s THR 93 Ca 1.12 1.79 -0.07 0.00 0.31 0.00 0.00 61.69 64.84 1qgb s THR 93 Cb -0.52 -4.20 -0.12 0.00 0.01 0.00 0.00 72.50 67.68 1qgb s THR 93 CO 0.32 0.21 2.70 0.00 -0.69 0.00 0.00 174.62 177.16 1qgb n ILE 95 N 3.48 2.42 -3.73 0.00 5.41 -0.82 -4.06 119.36 122.06 1qgb n ILE 95 Ca 0.54 -2.23 -0.28 0.00 1.00 0.00 0.00 62.75 61.77 1qgb n ILE 95 Cb 0.35 -2.37 -0.12 0.00 -0.71 0.00 0.00 39.64 36.80 1qgb n ILE 95 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 1qgb s GLY 96 N 4.74 2.08 -0.67 7.39 0.00 -1.25 -1.51 107.32 118.11 1qgb s GLY 96 Ca 0.56 -3.06 0.05 0.00 0.00 0.00 0.00 44.72 42.27 1qgb s GLY 96 CO 0.07 1.46 0.47 0.00 0.00 0.00 0.00 173.10 175.10 1qgb s ALA 97 N -0.41 3.56 0.00 3.20 0.00 -1.26 -3.90 121.76 122.94 1qgb s ALA 97 Ca 0.24 -3.68 0.00 0.00 0.00 0.00 0.00 51.96 48.52 1qgb s ALA 97 Cb -0.11 -2.11 0.00 0.00 0.00 0.00 0.00 23.12 20.90 1qgb s ALA 97 CO -0.10 -2.08 0.00 0.41 0.00 0.00 0.00 175.76 173.98 1qgb n GLY 98 N 2.11 1.18 1.69 0.00 0.00 -1.26 -4.62 105.19 104.29 1qgb n GLY 98 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.63 0.00 0.00 1.61 3.00 -1.26 -5.07 116.66 114.31 1qgb n ARG 99 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 1qgb n ARG 99 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1qgb n ARG 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1qgb n GLY 100 N -1.39 0.84 2.94 -0.13 0.00 -1.26 -5.05 105.19 101.15 1qgb n GLY 100 Ca 0.00 -0.59 -0.31 0.00 0.00 0.00 0.00 46.02 45.13 1qgb n GLY 100 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qgb s ARG 101 N -0.27 1.38 -1.29 1.61 3.00 -0.57 -4.90 118.95 117.90 1qgb s ARG 101 Ca 0.00 -1.49 -0.14 0.00 0.00 0.00 0.00 55.73 54.10 1qgb s ARG 101 Cb 0.00 -2.78 0.12 0.00 0.00 0.00 0.00 34.95 32.29 1qgb s ARG 101 CO 0.00 -0.86 1.75 -0.89 0.00 0.00 0.00 175.30 175.30 1qgb n ILE 102 N 4.48 4.05 -1.91 1.52 2.08 -1.26 -1.94 119.36 126.38 1qgb n ILE 102 Ca -0.02 -4.19 -0.41 0.00 0.56 0.00 0.00 62.75 58.69 1qgb n ILE 102 Cb 0.42 -2.43 -0.02 0.00 -0.75 0.00 0.00 39.64 36.86 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 2.91 6.53 0.14 4.38 0.15 -0.51 -4.62 113.70 122.68 1qgb s SER 103 Ca 0.46 2.80 0.09 0.00 0.70 0.00 0.00 55.95 60.00 1qgb s SER 103 Cb 0.05 -2.63 -0.04 0.00 -1.71 0.00 0.00 66.02 61.69 1qgb s SER 103 CO 0.01 -0.79 -0.20 0.00 1.20 0.00 0.00 173.24 173.46 1qgb s THR 105 N -1.60 0.00 0.54 0.00 -1.32 -1.26 -4.88 115.64 107.12 1qgb s THR 105 Ca 0.12 0.00 -0.20 0.00 -1.21 0.00 0.00 61.69 60.39 1qgb s THR 105 Cb -0.08 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.86 1qgb s THR 105 CO 0.06 0.00 1.17 -0.63 -2.21 0.00 0.00 174.62 173.01 1qgb s ILE 106 N 0.15 2.95 -0.23 5.08 1.09 -1.26 0.23 121.20 129.21 1qgb s ILE 106 Ca -0.00 0.63 -0.19 0.00 -1.10 0.00 0.00 60.65 59.99 1qgb s ILE 106 Cb -0.04 -3.27 0.06 0.00 -1.06 0.00 0.00 42.46 38.15 1qgb s ILE 106 CO 0.00 -0.10 0.60 0.00 -0.10 0.00 0.00 174.94 175.35 1qgb s ALA 107 N -1.65 -1.53 -0.27 9.38 0.00 -1.22 -4.80 121.76 121.68 1qgb s ALA 107 Ca 0.72 1.84 -0.04 0.00 0.00 0.00 0.00 51.96 54.48 1qgb s ALA 107 Cb -0.28 -1.08 0.02 0.00 0.00 0.00 0.00 23.12 21.79 1qgb s ALA 107 CO 0.31 -0.30 0.00 0.54 0.00 0.00 0.00 175.76 176.31 1qgb s ASN 108 N 0.73 4.70 0.00 0.00 2.20 -1.26 -4.96 114.94 116.35 1qgb s ASN 108 Ca -0.03 -0.84 0.00 0.00 -0.94 0.00 0.00 52.86 51.05 1qgb s ASN 108 Cb -0.05 -1.76 0.00 0.00 -2.00 0.00 0.00 41.25 37.44 1qgb s ASN 108 CO -0.05 -0.17 0.24 0.54 -2.94 0.00 0.00 177.10 174.72