#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 1.09 -0.15 4.33 2.36 -1.26 -5.11 119.74 121.00 1qgb s LYS 18 Ca 0.00 -1.65 -0.28 0.00 -2.55 0.00 0.00 55.97 51.49 1qgb s LYS 18 Cb 0.00 -2.29 -0.01 0.00 -1.05 0.00 0.00 37.83 34.49 1qgb s LYS 18 CO 0.00 -1.08 0.95 -1.25 1.55 0.00 0.00 175.35 175.53 1qgb s PRO 19 N 0.87 4.35 0.00 4.03 0.04 -1.26 -4.19 135.00 138.84 1qgb s PRO 19 Ca 0.14 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.44 1qgb s PRO 19 Cb -0.21 -3.57 0.00 0.00 0.04 0.00 0.00 34.50 30.75 1qgb s PRO 19 CO -0.10 -0.38 0.00 0.41 0.04 0.00 0.00 177.00 176.97 1qgb n GLY 20 N 3.26 0.66 2.69 0.56 0.00 -1.26 -4.89 105.19 106.20 1qgb n GLY 20 Ca 0.08 -2.18 -0.20 0.00 0.00 0.00 0.00 46.02 43.72 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 4.36 2.48 -3.64 0.00 4.19 -1.26 -4.39 117.16 118.90 1qgb n TYR 22 Ca 0.09 0.15 -0.10 0.00 3.31 0.00 0.00 57.90 61.36 1qgb n TYR 22 Cb 0.43 -2.61 -0.07 0.00 0.49 0.00 0.00 39.34 37.59 1qgb n TYR 22 CO 0.00 0.00 0.00 -0.51 0.91 0.00 0.00 176.86 177.26 1qgb s ASP 23 N 1.15 -0.78 -1.25 2.98 1.01 -0.40 -4.94 116.67 114.45 1qgb s ASP 23 Ca 0.78 1.36 -0.07 0.00 0.71 0.00 0.00 52.55 55.33 1qgb s ASP 23 Cb -0.60 1.35 0.01 0.00 1.01 0.00 0.00 42.92 44.69 1qgb s ASP 23 CO 0.36 -0.23 0.95 -3.20 0.21 0.00 0.00 175.17 173.26 1qgb n ASN 24 N 3.37 -5.86 -1.17 0.27 5.15 -1.26 -1.67 115.26 114.10 1qgb n ASN 24 Ca -0.17 -0.43 -0.15 0.00 -0.60 0.00 0.00 54.58 53.23 1qgb n ASN 24 Cb 0.57 -4.52 -0.07 0.00 -0.53 0.00 0.00 39.78 35.24 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 -1.76 1.47 3.00 8.20 0.00 -1.26 -4.95 105.19 109.89 1qgb n GLY 25 Ca -0.01 -0.02 -0.19 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.28 0.80 -0.57 1.61 2.20 -0.67 -5.11 119.74 114.72 1qgb s LYS 26 Ca 0.00 -0.29 -0.10 0.00 -0.36 0.00 0.00 55.97 55.22 1qgb s LYS 26 Cb 0.00 -0.76 0.15 0.00 -1.51 0.00 0.00 37.83 35.70 1qgb s LYS 26 CO 0.00 0.14 0.46 -1.58 -0.36 0.00 0.00 175.35 174.01 1qgb s HIS 27 N 0.01 3.46 0.83 4.03 5.65 -1.26 -1.27 115.29 126.74 1qgb s HIS 27 Ca -0.00 -1.93 -0.12 0.00 0.25 0.00 0.00 55.06 53.26 1qgb s HIS 27 Cb -0.06 -3.56 0.09 0.00 -1.18 0.00 0.00 32.58 27.87 1qgb s HIS 27 CO -0.00 -0.98 1.19 0.71 -0.65 0.00 0.00 174.74 175.01 1qgb s TYR 28 N 0.98 2.83 -0.08 3.88 2.02 -1.26 -4.99 117.35 120.72 1qgb s TYR 28 Ca 0.09 0.73 -0.20 0.00 -0.37 0.00 0.00 57.07 57.32 1qgb s TYR 28 Cb -0.23 -3.53 -0.04 0.00 -0.40 0.00 0.00 41.96 37.75 1qgb s TYR 28 CO -0.02 -1.88 0.56 -1.14 -1.57 0.00 0.00 175.55 171.50 1qgb s GLN 29 N -5.58 4.35 0.31 -0.62 -0.44 -1.26 -4.23 119.66 112.20 1qgb s GLN 29 Ca 0.63 0.61 -0.14 0.00 -2.50 0.00 0.00 55.36 53.96 1qgb s GLN 29 Cb -0.11 -3.42 -0.11 0.00 -1.64 0.00 0.00 33.01 27.74 1qgb s GLN 29 CO 0.50 0.18 -0.00 -0.89 0.50 0.00 0.00 175.29 175.57 1qgb n ILE 30 N 3.52 0.25 -0.95 -2.34 -0.00 -1.26 -1.14 119.36 117.43 1qgb n ILE 30 Ca -0.06 -0.35 0.00 0.00 -0.00 0.00 0.00 62.75 62.35 1qgb n ILE 30 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.15 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 1.69 -1.60 -4.77 4.38 3.02 0.44 -4.98 115.26 113.44 1qgb n ASN 31 Ca 0.07 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.24 1qgb n ASN 31 Cb 0.30 -0.71 -0.06 0.00 -0.61 0.00 0.00 39.78 38.71 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 -0.26 4.23 0.04 3.52 2.00 -0.29 -4.83 119.66 124.07 1qgb s GLN 32 Ca 0.00 0.55 0.01 0.00 -2.00 0.00 0.00 55.36 53.91 1qgb s GLN 32 Cb 0.00 -3.35 -0.04 0.00 0.80 0.00 0.00 33.01 30.42 1qgb s GLN 32 CO 0.00 0.37 0.12 -0.65 -0.50 0.00 0.00 175.29 174.64 1qgb s GLN 33 N -0.12 3.14 0.38 1.67 -0.21 -1.26 -1.84 119.66 121.42 1qgb s GLN 33 Ca 0.27 -0.53 -0.13 0.00 0.02 0.00 0.00 55.36 55.00 1qgb s GLN 33 Cb -0.17 -2.88 0.04 0.00 1.00 0.00 0.00 33.01 31.00 1qgb s GLN 33 CO 0.14 0.61 0.72 1.67 -2.12 0.00 0.00 175.29 176.31 1qgb s TRP 34 N -1.36 0.35 -0.17 0.91 -2.14 -0.85 -5.00 118.94 110.67 1qgb s TRP 34 Ca 0.29 -0.93 0.01 0.00 2.66 0.00 0.00 56.10 58.13 1qgb s TRP 34 Cb -0.12 0.63 0.01 0.00 -3.10 0.00 0.00 33.47 30.89 1qgb s TRP 34 CO 0.21 -1.48 -0.18 -2.00 -2.66 0.00 0.00 176.95 170.83 1qgb s GLU 35 N -2.43 3.08 -0.02 3.25 2.12 -1.26 0.73 118.70 124.16 1qgb s GLU 35 Ca 0.19 -0.80 0.05 0.00 0.36 0.00 0.00 54.97 54.76 1qgb s GLU 35 Cb -0.04 -2.59 -0.03 0.00 0.26 0.00 0.00 34.13 31.73 1qgb s GLU 35 CO 0.14 -0.12 -0.15 0.50 -0.54 0.00 0.00 175.26 175.08 1qgb s ARG 36 N 1.11 2.39 0.29 4.30 3.52 0.70 -4.91 118.95 126.35 1qgb s ARG 36 Ca 0.00 -0.77 0.06 0.00 -0.13 0.00 0.00 55.73 54.89 1qgb s ARG 36 Cb -0.14 -2.33 -0.02 0.00 -1.56 0.00 0.00 34.95 30.90 1qgb s ARG 36 CO -0.07 0.60 0.35 0.99 -0.81 0.00 0.00 175.30 176.36 1qgb s THR 37 N -0.79 4.49 0.00 4.11 2.01 -1.26 0.12 115.64 124.31 1qgb s THR 37 Ca 0.13 -1.13 0.00 0.00 0.31 0.00 0.00 61.69 61.00 1qgb s THR 37 Cb -0.11 -3.54 0.00 0.00 0.01 0.00 0.00 72.50 68.87 1qgb s THR 37 CO 0.02 -0.26 0.00 0.00 -0.69 0.00 0.00 174.62 173.69 1qgb n TYR 38 N -1.43 0.00 -2.41 4.92 4.19 -0.54 -4.92 117.16 116.97 1qgb n TYR 38 Ca -0.05 0.00 -0.06 0.00 3.31 0.00 0.00 57.90 61.10 1qgb n TYR 38 Cb 0.58 0.00 0.01 0.00 0.49 0.00 0.00 39.34 40.42 1qgb n TYR 38 CO 0.00 0.00 0.00 1.28 0.91 0.00 0.00 176.86 179.05 1qgb n LEU 39 N 0.00 -1.75 -1.49 2.98 4.32 -1.26 -3.25 117.00 116.56 1qgb n LEU 39 Ca 0.00 -0.07 -0.13 0.00 -0.02 0.00 0.00 56.01 55.80 1qgb n LEU 39 Cb 0.00 -1.17 -0.00 0.00 -1.62 0.00 0.00 43.42 40.63 1qgb n LEU 39 CO 0.00 0.05 -0.14 0.61 -1.22 0.00 0.00 177.39 176.68 1qgb n GLY 40 N -0.96 -0.14 3.06 -0.72 0.00 -1.26 -5.02 105.19 100.15 1qgb n GLY 40 Ca -0.04 -0.34 -0.16 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.47 1.05 -0.38 1.61 0.01 -1.20 -5.13 114.94 108.43 1qgb s ASN 41 Ca 0.02 -0.40 -0.14 0.00 -0.71 0.00 0.00 52.86 51.63 1qgb s ASN 41 Cb -0.01 -0.04 0.00 0.00 0.41 0.00 0.00 41.25 41.62 1qgb s ASN 41 CO 0.02 -0.06 0.27 0.00 -1.51 0.00 0.00 177.10 175.83 1qgb s ALA 42 N -0.88 3.49 -0.00 0.60 0.00 -1.26 -1.46 121.76 122.25 1qgb s ALA 42 Ca -0.03 -1.57 0.04 0.00 0.00 0.00 0.00 51.96 50.40 1qgb s ALA 42 Cb -0.07 -2.79 -0.03 0.00 0.00 0.00 0.00 23.12 20.23 1qgb s ALA 42 CO 0.01 -1.25 -0.11 -0.51 0.00 0.00 0.00 175.76 173.90 1qgb s LEU 43 N 1.70 2.95 -0.18 0.00 2.01 0.32 -0.70 118.68 124.78 1qgb s LEU 43 Ca 0.05 -0.22 -0.16 0.00 0.01 0.00 0.00 54.13 53.81 1qgb s LEU 43 Cb -0.18 -1.69 -0.04 0.00 0.01 0.00 0.00 46.19 44.29 1qgb s LEU 43 CO 0.10 0.29 0.42 -0.69 1.01 0.00 0.00 176.35 177.48 1qgb s VAL 44 N -0.92 5.20 0.37 -1.59 1.01 -0.44 0.25 120.40 124.28 1qgb s VAL 44 Ca 0.15 0.77 0.07 0.00 0.00 0.00 0.00 61.98 62.98 1qgb s VAL 44 Cb -0.11 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 1qgb s VAL 44 CO 0.05 0.28 0.35 0.00 0.00 0.00 0.00 175.10 175.78 1qgb s THR 46 N -2.35 -0.33 0.01 0.00 2.01 -1.26 -2.01 115.64 111.70 1qgb s THR 46 Ca 0.44 0.16 -0.30 0.00 0.31 0.00 0.00 61.69 62.30 1qgb s THR 46 Cb -0.05 -0.58 -0.03 0.00 0.01 0.00 0.00 72.50 71.84 1qgb s THR 46 CO 0.28 0.07 0.99 0.00 -0.69 0.00 0.00 174.62 175.26 1qgb n TYR 48 N 3.81 0.00 -0.09 0.00 4.02 0.31 -0.42 117.16 124.79 1qgb n TYR 48 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.95 1qgb n TYR 48 Cb 0.51 -0.31 0.00 0.00 -0.02 0.00 0.00 39.34 39.51 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 2.28 -3.66 7.00 2.72 0.00 -1.23 -4.78 105.19 107.52 1qgb n GLY 49 Ca -0.08 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 43.98 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 -0.25 2.69 0.09 -0.02 0.00 -1.26 -1.91 105.19 104.53 1qgb n GLY 50 Ca 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 46.02 45.99 1qgb n GLY 50 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1qgb h SER 51 N 0.00 0.00 -0.98 1.61 0.87 -1.94 -3.34 113.55 109.77 1qgb h SER 51 Ca 0.00 0.00 0.28 0.00 -1.23 0.00 0.00 61.79 60.84 1qgb h SER 51 Cb 0.00 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 61.92 1qgb h SER 51 CO 0.00 0.80 0.73 0.03 -0.53 0.00 0.00 176.83 177.86 1qgb h ARG 52 N 0.00 0.00 0.00 2.24 2.47 -1.74 -3.45 114.38 113.90 1qgb h ARG 52 Ca -0.21 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.51 1qgb h ARG 52 Cb 1.79 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.11 1qgb h ARG 52 CO 0.07 0.00 0.00 0.41 0.56 0.00 0.00 179.97 181.01 1qgb n GLY 53 N -1.72 3.18 3.23 0.04 0.00 -0.80 -4.68 105.19 104.43 1qgb n GLY 53 Ca 0.21 0.09 -0.13 0.00 0.00 0.00 0.00 46.02 46.19 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 1.16 -0.40 1.61 -0.12 -1.25 0.11 117.98 119.10 1qgb s PHE 54 Ca 0.00 -0.81 0.02 0.00 -0.05 0.00 0.00 56.93 56.09 1qgb s PHE 54 Cb 0.00 -0.61 0.15 0.00 -0.63 0.00 0.00 43.02 41.93 1qgb s PHE 54 CO 0.00 0.01 0.28 1.21 -0.05 0.00 0.00 175.22 176.67 1qgb s ASN 55 N -3.14 2.45 0.84 1.98 3.04 -1.22 -4.93 114.94 113.97 1qgb s ASN 55 Ca 0.16 -2.66 -0.11 0.00 0.04 0.00 0.00 52.86 50.29 1qgb s ASN 55 Cb 0.03 -0.52 0.10 0.00 -1.54 0.00 0.00 41.25 39.33 1qgb s ASN 55 CO -0.01 -0.24 1.14 0.00 -3.04 0.00 0.00 177.10 174.96 1qgb n GLU 57 N -3.76 0.00 -3.87 0.00 1.02 -0.65 -4.94 120.64 108.44 1qgb n GLU 57 Ca 0.11 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.25 1qgb n GLU 57 Cb 0.52 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.95 1qgb n GLU 57 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1qgb s SER 58 N -4.05 -0.02 -0.49 1.62 1.04 -1.26 -4.70 113.70 105.84 1qgb s SER 58 Ca 0.00 -0.38 -0.13 0.00 0.48 0.00 0.00 55.95 55.92 1qgb s SER 58 Cb 0.00 0.31 0.11 0.00 0.10 0.00 0.00 66.02 66.54 1qgb s SER 58 CO 0.00 -0.60 0.41 -0.75 0.98 0.00 0.00 173.24 173.28 1qgb s LYS 59 N -2.25 2.81 -0.54 4.02 2.47 0.12 -1.33 119.74 125.05 1qgb s LYS 59 Ca 0.23 -1.63 -0.31 0.00 -1.56 0.00 0.00 55.97 52.70 1qgb s LYS 59 Cb -0.00 -4.11 -0.12 0.00 -1.46 0.00 0.00 37.83 32.14 1qgb s LYS 59 CO 0.01 -1.19 2.39 -2.30 0.16 0.00 0.00 175.35 174.41 1qgb n PRO 60 N 5.11 0.87 0.00 4.03 -0.02 -1.26 -4.86 135.00 138.87 1qgb n PRO 60 Ca -0.12 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 1qgb n PRO 60 Cb 0.41 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.26 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 8.58 0.00 -4.45 -0.52 0.00 -1.26 -4.60 120.64 118.39 1qgb n GLU 61 Ca 0.45 0.72 -0.20 0.00 0.00 0.00 0.00 57.16 58.13 1qgb n GLU 61 Cb 0.31 -1.18 -0.15 0.00 0.00 0.00 0.00 31.44 30.42 1qgb n GLU 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1qgb s ALA 62 N -3.41 0.89 -0.14 4.31 0.00 -1.26 -5.05 121.76 117.10 1qgb s ALA 62 Ca 0.00 -0.43 -0.21 0.00 0.00 0.00 0.00 51.96 51.32 1qgb s ALA 62 Cb 0.00 -0.26 -0.24 0.00 0.00 0.00 0.00 23.12 22.62 1qgb s ALA 62 CO 0.00 0.20 0.50 1.49 0.00 0.00 0.00 175.76 177.95 1qgb h GLU 63 N 6.02 0.11 -5.13 0.00 4.81 -1.90 -3.41 114.58 115.08 1qgb h GLU 63 Ca -0.32 -0.19 -0.15 0.00 -0.13 0.00 0.00 59.36 58.56 1qgb h GLU 63 Cb 1.17 0.07 0.01 0.00 0.63 0.00 0.00 28.75 30.63 1qgb h GLU 63 CO 0.49 1.09 0.44 0.39 -0.73 0.00 0.00 179.01 180.70 1qgb n GLU 64 N -4.24 0.44 -3.93 1.92 1.02 -1.26 -4.69 120.64 109.90 1qgb n GLU 64 Ca -0.24 -1.79 -0.10 0.00 -0.02 0.00 0.00 57.16 55.01 1qgb n GLU 64 Cb 0.74 -3.72 -0.10 0.00 -0.02 0.00 0.00 31.44 28.33 1qgb n GLU 64 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1qgb s THR 65 N 14.69 0.10 0.36 2.62 -4.23 -1.23 -4.42 115.64 123.54 1qgb s THR 65 Ca 0.77 -0.85 -0.07 0.00 -1.18 0.00 0.00 61.69 60.36 1qgb s THR 65 Cb -0.01 -0.42 0.02 0.00 1.34 0.00 0.00 72.50 73.42 1qgb s THR 65 CO 0.19 -0.47 0.58 0.00 -0.54 0.00 0.00 174.62 174.39 1qgb s PHE 67 N -2.79 -1.04 -0.48 0.00 2.19 -1.26 -3.59 117.98 111.01 1qgb s PHE 67 Ca 0.25 0.65 0.03 0.00 0.33 0.00 0.00 56.93 58.19 1qgb s PHE 67 Cb -0.02 0.19 0.60 0.00 -1.31 0.00 0.00 43.02 42.48 1qgb s PHE 67 CO 0.18 -0.60 1.88 -3.47 1.83 0.00 0.00 175.22 175.03 1qgb n ASP 68 N 5.26 4.53 0.00 6.13 2.03 -1.26 -5.06 116.55 128.18 1qgb n ASP 68 Ca 0.06 -3.68 0.00 0.00 0.52 0.00 0.00 54.79 51.70 1qgb n ASP 68 Cb 0.56 -0.84 0.00 0.00 -0.72 0.00 0.00 41.12 40.12 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 -1.08 0.00 0.00 -0.67 2.85 -1.26 -4.61 118.16 113.38 1qgb n LYS 69 Ca 0.57 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.83 1qgb n LYS 69 Cb 1.36 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.74 1qgb n LYS 69 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1qgb n TYR 70 N 0.00 0.00 -0.21 5.58 4.01 -1.26 -3.20 117.16 122.08 1qgb n TYR 70 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1qgb n TYR 70 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 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 0.00 0.00 -2.02 -0.72 -1.04 -1.26 -5.00 114.28 104.23 1qgb n THR 71 Ca 0.00 -0.32 -0.12 0.00 -2.04 0.00 0.00 64.05 61.57 1qgb n THR 71 Cb 0.00 1.21 -0.02 0.00 -1.82 0.00 0.00 70.33 69.70 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 0.27 0.15 3.56 3.41 0.00 -1.19 -4.84 105.19 106.54 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 0.21 0.00 0.00 0.00 173.32 173.53 1qgb s ASN 73 N -2.03 6.09 -0.25 1.61 2.47 -1.26 -4.94 114.94 116.62 1qgb s ASN 73 Ca 0.00 -1.14 -0.39 0.00 0.42 0.00 0.00 52.86 51.75 1qgb s ASN 73 Cb 0.00 -2.57 -0.15 0.00 -1.45 0.00 0.00 41.25 37.09 1qgb s ASN 73 CO 0.00 -1.88 1.80 0.41 -3.72 0.00 0.00 177.10 173.72 1qgb n THR 74 N 7.13 0.36 -3.26 -5.21 -1.04 -1.26 -4.71 114.28 106.28 1qgb n THR 74 Ca 0.33 -0.08 -0.20 0.00 -2.04 0.00 0.00 64.05 62.06 1qgb n THR 74 Cb 0.50 -1.38 0.01 0.00 -1.82 0.00 0.00 70.33 67.64 1qgb n THR 74 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1qgb s TYR 75 N 3.91 2.34 -0.11 -1.42 2.02 -1.24 -4.82 117.35 118.03 1qgb s TYR 75 Ca 0.98 -0.54 -0.00 0.00 -0.37 0.00 0.00 57.07 57.13 1qgb s TYR 75 Cb -0.99 -2.24 -0.02 0.00 -0.40 0.00 0.00 41.96 38.31 1qgb s TYR 75 CO 0.62 -0.51 -0.09 -0.98 -1.57 0.00 0.00 175.55 173.02 1qgb s ARG 76 N -4.35 3.20 0.38 -0.62 1.70 -1.26 -1.16 118.95 116.83 1qgb s ARG 76 Ca 0.53 -0.61 0.16 0.00 -0.47 0.00 0.00 55.73 55.33 1qgb s ARG 76 Cb -0.06 -2.66 1.03 0.00 -0.57 0.00 0.00 34.95 32.69 1qgb s ARG 76 CO 0.32 0.38 1.77 0.28 -1.08 0.00 0.00 175.30 176.97 1qgb h VAL 77 N 4.93 0.56 -0.30 4.99 2.07 -1.81 -0.06 116.25 126.64 1qgb h VAL 77 Ca -0.35 -0.16 -0.20 0.00 0.82 0.00 0.00 66.70 66.81 1qgb h VAL 77 Cb 1.19 0.06 -0.08 0.00 -1.52 0.00 0.00 31.29 30.93 1qgb h VAL 77 CO 0.56 0.08 0.19 0.61 0.02 0.00 0.00 177.57 179.03 1qgb n GLY 78 N -1.44 3.42 3.84 2.17 0.00 -1.26 -4.69 105.19 107.23 1qgb n GLY 78 Ca 0.25 -0.75 -0.06 0.00 0.00 0.00 0.00 46.02 45.46 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 1.05 -0.01 0.07 1.61 2.15 -0.03 -5.18 116.67 116.33 1qgb s ASP 79 Ca 0.24 -0.88 0.04 0.00 0.43 0.00 0.00 52.55 52.39 1qgb s ASP 79 Cb 0.17 0.66 -0.03 0.00 -0.30 0.00 0.00 42.92 43.42 1qgb s ASP 79 CO -0.02 -1.31 -0.11 0.42 -0.17 0.00 0.00 175.17 173.97 1qgb s THR 80 N -2.31 0.91 -0.12 1.71 -4.23 -1.26 -4.10 115.64 106.24 1qgb s THR 80 Ca 0.18 -1.32 -0.03 0.00 -1.18 0.00 0.00 61.69 59.34 1qgb s THR 80 Cb -0.04 -1.01 0.04 0.00 1.34 0.00 0.00 72.50 72.83 1qgb s THR 80 CO 0.08 -0.35 0.04 -0.72 -0.54 0.00 0.00 174.62 173.13 1qgb s TYR 81 N -1.58 0.60 -0.40 3.99 1.13 -0.97 -5.04 117.35 115.07 1qgb s TYR 81 Ca -0.02 -0.34 -0.27 0.00 -1.41 0.00 0.00 57.07 55.03 1qgb s TYR 81 Cb -0.08 -0.80 0.02 0.00 -1.10 0.00 0.00 41.96 40.00 1qgb s TYR 81 CO 0.01 -0.43 1.02 -2.00 -2.51 0.00 0.00 175.55 171.64 1qgb s GLU 82 N 2.00 3.81 -0.34 -3.49 2.12 -1.26 -3.08 118.70 118.46 1qgb s GLU 82 Ca 0.03 0.62 -0.02 0.00 0.36 0.00 0.00 54.97 55.96 1qgb s GLU 82 Cb -0.14 -3.84 0.07 0.00 0.26 0.00 0.00 34.13 30.48 1qgb s GLU 82 CO -0.06 -1.10 0.08 1.03 -0.54 0.00 0.00 175.26 174.66 1qgb s ARG 83 N 3.83 2.24 0.30 4.30 1.81 -1.21 -4.96 118.95 125.27 1qgb s ARG 83 Ca 0.42 -1.49 -0.28 0.00 -1.72 0.00 0.00 55.73 52.67 1qgb s ARG 83 Cb -0.10 -3.33 -0.09 0.00 -0.45 0.00 0.00 34.95 30.97 1qgb s ARG 83 CO 0.23 -0.79 1.08 -1.25 -0.68 0.00 0.00 175.30 173.89 1qgb s PRO 84 N 1.20 4.54 -0.30 3.54 0.04 -1.26 -3.95 135.00 138.81 1qgb s PRO 84 Ca 0.01 1.73 0.02 0.00 0.04 0.00 0.00 61.00 62.80 1qgb s PRO 84 Cb -0.21 -3.05 0.16 0.00 0.04 0.00 0.00 34.50 31.44 1qgb s PRO 84 CO -0.02 0.14 0.40 0.21 0.04 0.00 0.00 177.00 177.77 1qgb s LYS 85 N -1.66 0.43 1.23 4.56 2.47 -1.26 -4.95 119.74 120.55 1qgb s LYS 85 Ca 0.47 0.02 0.00 0.00 -1.56 0.00 0.00 55.97 54.91 1qgb s LYS 85 Cb -0.30 -0.36 0.00 0.00 -1.46 0.00 0.00 37.83 35.71 1qgb s LYS 85 CO 0.38 -1.05 0.00 -3.47 0.16 0.00 0.00 175.35 171.37 1qgb n ASP 86 N 5.26 0.00 -2.83 1.43 2.03 -1.26 -4.06 116.55 117.12 1qgb n ASP 86 Ca 0.01 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 55.03 1qgb n ASP 86 Cb 0.49 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.81 1qgb n ASP 86 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1qgb n SER 87 N 0.74 7.37 0.16 1.67 7.64 -1.26 -3.90 113.62 126.04 1qgb n SER 87 Ca 0.00 -2.63 0.00 0.00 1.01 0.00 0.00 58.87 57.25 1qgb n SER 87 Cb 0.00 -1.47 0.00 0.00 -1.01 0.00 0.00 64.21 61.73 1qgb n SER 87 CO 0.00 0.00 0.00 1.15 -3.01 0.00 0.00 175.04 173.18 1qgb n MET 88 N 2.87 0.00 -1.70 1.43 0.00 -1.26 -5.16 117.12 113.29 1qgb n MET 88 Ca 0.63 0.00 0.00 0.00 0.00 0.00 0.00 57.70 58.33 1qgb n MET 88 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.71 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 -3.40 -5.35 -4.28 3.17 5.41 -1.25 -4.77 119.36 108.88 1qgb n ILE 89 Ca 0.00 2.43 -0.16 0.00 1.00 0.00 0.00 62.75 66.02 1qgb n ILE 89 Cb 0.00 -3.25 -0.10 0.00 -0.71 0.00 0.00 39.64 35.58 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 -1.99 1.45 -0.85 1.39 0.52 -1.25 -4.14 118.94 114.07 1qgb s TRP 90 Ca 0.00 -1.38 -0.03 0.00 0.02 0.00 0.00 56.10 54.71 1qgb s TRP 90 Cb 0.00 -0.74 0.21 0.00 -1.15 0.00 0.00 33.47 31.79 1qgb s TRP 90 CO 0.00 -0.58 0.72 -0.51 0.02 0.00 0.00 176.95 176.60 1qgb s ASP 91 N -3.29 5.92 0.22 2.95 1.11 -0.54 -3.28 116.67 119.75 1qgb s ASP 91 Ca 0.38 -3.51 -0.30 0.00 0.18 0.00 0.00 52.55 49.29 1qgb s ASP 91 Cb 0.06 -1.92 -0.09 0.00 1.07 0.00 0.00 42.92 42.04 1qgb s ASP 91 CO 0.16 -0.24 1.33 0.00 1.18 0.00 0.00 175.17 177.60 1qgb s THR 93 N -0.03 1.73 -0.50 0.00 2.01 0.27 -2.29 115.64 116.82 1qgb s THR 93 Ca 0.56 -1.80 0.02 0.00 0.31 0.00 0.00 61.69 60.79 1qgb s THR 93 Cb -0.38 -2.52 0.45 0.00 0.01 0.00 0.00 72.50 70.06 1qgb s THR 93 CO 0.40 0.00 1.66 0.00 -0.69 0.00 0.00 174.62 175.99 1qgb n ILE 95 N -0.82 0.31 0.00 0.00 5.41 -1.26 -4.59 119.36 118.42 1qgb n ILE 95 Ca 0.54 -0.38 0.00 0.00 1.00 0.00 0.00 62.75 63.92 1qgb n ILE 95 Cb 0.79 -2.23 0.00 0.00 -0.71 0.00 0.00 39.64 37.49 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 5.95 4.66 0.16 7.39 0.00 -1.26 -2.04 105.19 120.05 1qgb n GLY 96 Ca 0.33 -0.81 0.11 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.15 1.10 -2.20 4.61 0.00 -1.26 -2.49 120.51 119.12 1qgb n ALA 97 Ca 0.00 0.19 0.01 0.00 0.00 0.00 0.00 53.44 53.64 1qgb n ALA 97 Cb 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.13 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 -1.17 0.75 1.45 0.00 0.00 -1.26 -4.73 105.19 100.22 1qgb n GLY 98 Ca -0.01 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 0.20 -4.08 0.00 1.61 0.00 -1.04 -4.92 116.66 108.43 1qgb n ARG 99 Ca -0.00 2.96 0.00 0.00 -0.00 0.00 0.00 57.85 60.81 1qgb n ARG 99 Cb 0.86 -3.28 0.00 0.00 0.00 0.00 0.00 32.46 30.04 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 0.04 1.04 2.47 5.14 0.00 -1.25 -4.98 105.19 107.64 1qgb n GLY 100 Ca 0.00 -0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 1qgb n GLY 100 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qgb n ARG 101 N 0.00 2.82 -1.54 1.61 1.74 -0.86 -4.97 116.66 115.45 1qgb n ARG 101 Ca 0.00 -3.48 -0.27 0.00 -0.77 0.00 0.00 57.85 53.33 1qgb n ARG 101 Cb 0.00 -2.28 -0.09 0.00 -1.02 0.00 0.00 32.46 29.07 1qgb n ARG 101 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1qgb n ILE 102 N -0.78 -0.04 -2.57 0.55 -0.00 -1.26 -4.16 119.36 111.11 1qgb n ILE 102 Ca 0.58 -0.55 -0.42 0.00 -0.00 0.00 0.00 62.75 62.36 1qgb n ILE 102 Cb 0.57 -1.84 -0.03 0.00 -0.00 0.00 0.00 39.64 38.34 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 9.79 7.13 -0.11 4.38 0.15 -1.25 -4.64 113.70 129.16 1qgb s SER 103 Ca 1.06 1.65 0.00 0.00 0.70 0.00 0.00 55.95 59.37 1qgb s SER 103 Cb -0.41 -2.55 0.02 0.00 -1.71 0.00 0.00 66.02 61.37 1qgb s SER 103 CO 0.28 -0.54 -0.09 0.00 1.20 0.00 0.00 173.24 174.09 1qgb s THR 105 N 1.49 0.43 0.45 0.00 -1.32 -1.25 -4.79 115.64 110.64 1qgb s THR 105 Ca 0.01 -0.23 -0.25 0.00 -1.21 0.00 0.00 61.69 60.01 1qgb s THR 105 Cb -0.13 -0.36 -0.08 0.00 -1.51 0.00 0.00 72.50 70.41 1qgb s THR 105 CO -0.06 0.12 1.41 -0.63 -2.21 0.00 0.00 174.62 173.25 1qgb s ILE 106 N -0.12 2.12 0.00 5.08 1.01 -1.26 -1.47 121.20 126.56 1qgb s ILE 106 Ca 0.02 0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.77 1qgb s ILE 106 Cb -0.02 -3.06 0.00 0.00 0.01 0.00 0.00 42.46 39.39 1qgb s ILE 106 CO -0.00 0.01 0.00 0.00 0.00 0.00 0.00 174.94 174.95 1qgb n ALA 107 N -0.22 0.00 -3.41 9.38 0.00 -1.26 -4.91 120.51 120.08 1qgb n ALA 107 Ca 0.05 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.51 1qgb n ALA 107 Cb 0.42 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.84 1qgb n ALA 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1qgb s ASN 108 N 0.00 -1.01 0.00 0.00 2.20 -1.26 -4.85 114.94 110.03 1qgb s ASN 108 Ca 0.00 1.09 0.17 0.00 -0.94 0.00 0.00 52.86 53.18 1qgb s ASN 108 Cb 0.00 2.03 0.13 0.00 -2.00 0.00 0.00 41.25 41.41 1qgb s ASN 108 CO 0.00 -0.19 1.03 -1.14 -2.94 0.00 0.00 177.10 173.86