#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qgb n LYS 18 N 0.00 -1.46 -1.61 -1.46 4.81 -1.26 -4.79 118.16 112.39 1qgb n LYS 18 Ca 0.00 0.75 -0.42 0.00 -0.87 0.00 0.00 58.31 57.77 1qgb n LYS 18 Cb 0.00 -2.00 0.01 0.00 0.02 0.00 0.00 35.03 33.05 1qgb n LYS 18 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1qgb n PRO 19 N -2.20 1.39 -1.29 1.64 -0.02 -1.26 -4.88 135.00 128.39 1qgb n PRO 19 Ca -0.28 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 1qgb n PRO 19 Cb 0.64 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 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 1.17 -0.50 3.19 -1.23 0.00 -1.26 -4.98 105.19 101.57 1qgb n GLY 20 Ca 0.09 -0.86 0.02 0.00 0.00 0.00 0.00 46.02 45.26 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 2.14 3.08 -0.05 0.00 5.04 -1.25 -1.73 117.35 124.59 1qgb s TYR 22 Ca 0.14 -0.96 0.03 0.00 -2.44 0.00 0.00 57.07 53.84 1qgb s TYR 22 Cb -0.06 -3.82 0.00 0.00 0.35 0.00 0.00 41.96 38.44 1qgb s TYR 22 CO -0.13 -1.15 -0.14 0.34 -1.34 0.00 0.00 175.55 173.14 1qgb s ASP 23 N 3.39 1.80 -1.09 4.32 -1.08 0.11 -4.74 116.67 119.37 1qgb s ASP 23 Ca 0.10 -0.29 0.00 0.00 -0.52 0.00 0.00 52.55 51.83 1qgb s ASP 23 Cb -0.25 -0.61 0.00 0.00 -1.46 0.00 0.00 42.92 40.61 1qgb s ASP 23 CO 0.06 0.09 0.00 -3.20 0.52 0.00 0.00 175.17 172.65 1qgb n ASN 24 N 3.39 -3.79 0.00 -0.34 5.15 -1.26 0.11 115.26 118.53 1qgb n ASN 24 Ca -0.20 0.21 0.00 0.00 -0.60 0.00 0.00 54.58 54.00 1qgb n ASN 24 Cb 0.53 -3.27 0.00 0.00 -0.53 0.00 0.00 39.78 36.51 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 -0.71 1.10 3.82 8.20 0.00 -1.26 -5.03 105.19 111.30 1qgb n GLY 25 Ca -0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.33 3.86 -0.70 1.61 1.02 0.31 -5.05 119.74 120.46 1qgb s LYS 26 Ca 0.00 0.20 -0.00 0.00 0.02 0.00 0.00 55.97 56.19 1qgb s LYS 26 Cb 0.00 -3.26 0.17 0.00 -0.52 0.00 0.00 37.83 34.23 1qgb s LYS 26 CO 0.00 0.62 0.52 -1.58 -0.92 0.00 0.00 175.35 173.98 1qgb s HIS 27 N -0.72 3.53 0.94 3.18 2.46 -1.25 0.04 115.29 123.46 1qgb s HIS 27 Ca 0.20 -2.98 -0.15 0.00 0.47 0.00 0.00 55.06 52.59 1qgb s HIS 27 Cb -0.15 -3.07 0.18 0.00 -0.13 0.00 0.00 32.58 29.41 1qgb s HIS 27 CO 0.09 -0.74 1.29 0.71 -2.47 0.00 0.00 174.74 173.61 1qgb s TYR 28 N -0.71 1.82 -0.12 3.88 1.51 -0.70 -4.89 117.35 118.13 1qgb s TYR 28 Ca 0.21 0.41 -0.05 0.00 -1.01 0.00 0.00 57.07 56.63 1qgb s TYR 28 Cb -0.15 -3.99 -0.04 0.00 -0.11 0.00 0.00 41.96 37.68 1qgb s TYR 28 CO -0.08 -2.53 0.06 -1.14 -1.11 0.00 0.00 175.55 170.75 1qgb s GLN 29 N -5.82 3.41 0.41 -0.62 0.74 -1.26 -3.45 119.66 113.08 1qgb s GLN 29 Ca 0.72 -0.31 -0.21 0.00 0.05 0.00 0.00 55.36 55.60 1qgb s GLN 29 Cb -0.05 -3.03 -0.15 0.00 1.10 0.00 0.00 33.01 30.88 1qgb s GLN 29 CO 0.52 0.59 0.13 -0.89 -0.55 0.00 0.00 175.29 175.10 1qgb n ILE 30 N 2.52 0.76 -1.02 -2.34 -0.00 -1.26 -0.56 119.36 117.46 1qgb n ILE 30 Ca -0.18 -0.50 -0.01 0.00 -0.00 0.00 0.00 62.75 62.06 1qgb n ILE 30 Cb 0.54 -0.06 -0.00 0.00 -0.00 0.00 0.00 39.64 40.11 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 2.21 -4.80 -4.89 4.38 3.02 0.13 -4.95 115.26 110.36 1qgb n ASN 31 Ca 0.11 0.02 -0.32 0.00 -0.03 0.00 0.00 54.58 54.36 1qgb n ASN 31 Cb 0.40 -2.37 -0.05 0.00 -0.61 0.00 0.00 39.78 37.15 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 -1.34 3.66 0.06 3.52 0.74 0.28 -4.80 119.66 121.79 1qgb s GLN 32 Ca 0.00 0.00 0.06 0.00 0.05 0.00 0.00 55.36 55.47 1qgb s GLN 32 Cb 0.00 -2.84 -0.04 0.00 1.10 0.00 0.00 33.01 31.24 1qgb s GLN 32 CO 0.00 0.46 -0.12 -0.65 -0.55 0.00 0.00 175.29 174.43 1qgb s GLN 33 N -2.58 2.21 0.00 1.67 -0.21 -1.26 -0.32 119.66 119.17 1qgb s GLN 33 Ca 0.41 -0.94 0.00 0.00 0.02 0.00 0.00 55.36 54.85 1qgb s GLN 33 Cb -0.12 -2.32 0.00 0.00 1.00 0.00 0.00 33.01 31.57 1qgb s GLN 33 CO 0.23 0.54 0.00 -2.67 -2.12 0.00 0.00 175.29 171.27 1qgb n TRP 34 N 1.15 -0.38 -4.10 0.91 2.14 -0.81 -4.99 117.44 111.36 1qgb n TRP 34 Ca -0.15 0.00 -0.26 0.00 2.07 0.00 0.00 57.50 59.16 1qgb n TRP 34 Cb 0.52 0.00 -0.17 0.00 -0.81 0.00 0.00 31.31 30.86 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 -0.34 1.64 -0.12 -2.67 -6.30 -1.26 -0.30 118.70 109.35 1qgb s GLU 35 Ca 0.00 -0.32 0.01 0.00 -2.50 0.00 0.00 54.97 52.16 1qgb s GLU 35 Cb 0.00 -1.58 -0.01 0.00 0.00 0.00 0.00 34.13 32.53 1qgb s GLU 35 CO 0.00 -0.18 -0.15 0.50 0.02 0.00 0.00 175.26 175.45 1qgb s ARG 36 N 1.40 3.23 -0.20 4.30 3.00 0.43 -4.88 118.95 126.24 1qgb s ARG 36 Ca -0.00 -0.71 -0.10 0.00 -1.00 0.00 0.00 55.73 53.91 1qgb s ARG 36 Cb -0.13 -2.55 -0.05 0.00 0.00 0.00 0.00 34.95 32.21 1qgb s ARG 36 CO -0.05 0.26 0.14 0.99 0.00 0.00 0.00 175.30 176.64 1qgb s THR 37 N 0.22 5.40 -0.18 4.11 2.01 -1.26 0.23 115.64 126.17 1qgb s THR 37 Ca -0.09 0.20 -0.04 0.00 0.31 0.00 0.00 61.69 62.07 1qgb s THR 37 Cb -0.16 -3.48 0.08 0.00 0.01 0.00 0.00 72.50 68.96 1qgb s THR 37 CO 0.06 0.43 0.22 -0.47 -0.69 0.00 0.00 174.62 174.16 1qgb s TYR 38 N 0.45 -0.28 -0.12 4.92 6.14 0.94 -4.91 117.35 124.48 1qgb s TYR 38 Ca 0.08 0.36 -0.00 0.00 0.64 0.00 0.00 57.07 58.15 1qgb s TYR 38 Cb -0.11 -0.31 -0.01 0.00 0.42 0.00 0.00 41.96 41.95 1qgb s TYR 38 CO -0.01 -0.53 0.11 -0.11 0.64 0.00 0.00 175.55 175.65 1qgb n LEU 39 N 5.32 -2.36 -2.33 6.97 7.94 -1.26 -3.66 117.00 127.62 1qgb n LEU 39 Ca -0.05 -0.08 -0.09 0.00 -1.11 0.00 0.00 56.01 54.68 1qgb n LEU 39 Cb 0.50 -0.80 -0.01 0.00 0.53 0.00 0.00 43.42 43.63 1qgb n LEU 39 CO 0.07 0.02 -0.12 0.61 -1.11 0.00 0.00 177.39 176.86 1qgb n GLY 40 N -1.33 -0.35 2.88 -3.96 0.00 -1.26 -4.91 105.19 96.25 1qgb n GLY 40 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.00 -0.01 -0.14 1.61 0.01 -1.24 -5.14 114.94 108.04 1qgb s ASN 41 Ca 0.00 0.04 -0.22 0.00 -0.71 0.00 0.00 52.86 51.97 1qgb s ASN 41 Cb 0.00 0.02 -0.03 0.00 0.41 0.00 0.00 41.25 41.66 1qgb s ASN 41 CO 0.00 -0.02 0.67 0.00 -1.51 0.00 0.00 177.10 176.24 1qgb s ALA 42 N 0.13 3.46 -0.13 0.60 0.00 -1.26 -0.04 121.76 124.52 1qgb s ALA 42 Ca -0.01 -0.07 0.01 0.00 0.00 0.00 0.00 51.96 51.89 1qgb s ALA 42 Cb -0.02 -2.97 0.02 0.00 0.00 0.00 0.00 23.12 20.15 1qgb s ALA 42 CO -0.00 -0.35 -0.16 -0.51 0.00 0.00 0.00 175.76 174.74 1qgb s LEU 43 N 1.43 1.75 0.20 0.00 2.01 0.64 -2.28 118.68 122.42 1qgb s LEU 43 Ca 0.33 -0.47 -0.30 0.00 0.01 0.00 0.00 54.13 53.69 1qgb s LEU 43 Cb -0.16 -1.17 -0.09 0.00 0.01 0.00 0.00 46.19 44.77 1qgb s LEU 43 CO 0.13 -0.01 1.41 -0.69 1.01 0.00 0.00 176.35 178.20 1qgb s VAL 44 N 1.18 2.93 0.37 -1.59 1.01 -1.26 0.16 120.40 123.22 1qgb s VAL 44 Ca -0.02 0.74 0.08 0.00 0.00 0.00 0.00 61.98 62.78 1qgb s VAL 44 Cb -0.14 -3.47 -0.05 0.00 0.00 0.00 0.00 36.38 32.71 1qgb s VAL 44 CO -0.06 0.10 0.09 0.00 0.00 0.00 0.00 175.10 175.23 1qgb s THR 46 N -2.56 -0.91 0.16 0.00 2.01 -1.26 -1.93 115.64 111.15 1qgb s THR 46 Ca 0.38 0.03 -0.30 0.00 0.31 0.00 0.00 61.69 62.11 1qgb s THR 46 Cb 0.02 -0.92 -0.07 0.00 0.01 0.00 0.00 72.50 71.54 1qgb s THR 46 CO 0.21 0.01 1.01 0.00 -0.69 0.00 0.00 174.62 175.16 1qgb n TYR 48 N 2.39 0.00 -3.85 0.00 4.02 -1.25 0.18 117.16 118.65 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 0.48 -0.45 -0.00 0.00 -0.02 0.00 0.00 39.34 39.35 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 2.56 -1.93 2.31 2.72 0.00 -1.26 -4.48 105.19 105.10 1qgb n GLY 49 Ca -0.16 -1.36 -0.15 0.00 0.00 0.00 0.00 46.02 44.34 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 -0.13 0.38 2.49 -0.02 0.00 -1.26 0.24 105.19 106.89 1qgb n GLY 50 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1qgb n GLY 50 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1qgb n SER 51 N -1.35 0.00 0.16 1.61 7.64 -1.26 -4.86 113.62 115.56 1qgb n SER 51 Ca -0.17 0.00 0.14 0.00 1.01 0.00 0.00 58.87 59.86 1qgb n SER 51 Cb 0.57 0.00 0.71 0.00 -1.01 0.00 0.00 64.21 64.48 1qgb n SER 51 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1qgb h ARG 52 N 2.18 0.00 -3.32 1.43 3.08 -0.54 -3.48 114.38 113.73 1qgb h ARG 52 Ca 0.00 0.00 0.35 0.00 0.07 0.00 0.00 59.98 60.40 1qgb h ARG 52 Cb 0.00 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 29.90 1qgb h ARG 52 CO 0.00 0.00 -0.92 0.41 -1.07 0.00 0.00 179.97 178.39 1qgb n GLY 53 N -1.53 -2.61 3.82 0.04 0.00 -1.25 -4.82 105.19 98.83 1qgb n GLY 53 Ca 0.02 -1.01 -0.35 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 -3.43 3.54 -0.25 1.61 -0.12 -1.26 -3.95 117.98 114.12 1qgb s PHE 54 Ca 0.00 1.43 -0.09 0.00 -0.05 0.00 0.00 56.93 58.22 1qgb s PHE 54 Cb 0.00 -2.67 -0.12 0.00 -0.63 0.00 0.00 43.02 39.60 1qgb s PHE 54 CO 0.00 0.20 -0.30 -1.71 -0.05 0.00 0.00 175.22 173.36 1qgb n ASN 55 N 0.23 1.86 -0.65 1.98 4.05 -1.25 -4.97 115.26 116.51 1qgb n ASN 55 Ca 0.01 0.21 0.07 0.00 0.45 0.00 0.00 54.58 55.33 1qgb n ASN 55 Cb 0.52 -0.66 -0.04 0.00 1.23 0.00 0.00 39.78 40.83 1qgb n ASN 55 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1qgb n GLU 57 N -2.99 0.00 -3.57 0.00 4.07 0.88 -4.97 120.64 114.07 1qgb n GLU 57 Ca -0.04 0.00 -0.06 0.00 -0.06 0.00 0.00 57.16 57.00 1qgb n GLU 57 Cb 0.30 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 31.66 1qgb n GLU 57 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 1qgb s SER 58 N 1.08 -0.23 -0.05 4.31 0.01 -1.26 -4.56 113.70 113.01 1qgb s SER 58 Ca 0.00 -0.02 0.04 0.00 1.31 0.00 0.00 55.95 57.27 1qgb s SER 58 Cb 0.00 0.26 0.00 0.00 0.21 0.00 0.00 66.02 66.49 1qgb s SER 58 CO 0.00 -0.42 -0.16 -0.75 0.41 0.00 0.00 173.24 172.32 1qgb s LYS 59 N -2.74 1.82 -0.42 12.44 2.36 -0.97 -4.09 119.74 128.14 1qgb s LYS 59 Ca 0.08 -0.56 -0.40 0.00 -2.55 0.00 0.00 55.97 52.54 1qgb s LYS 59 Cb -0.01 -1.54 -0.16 0.00 -1.05 0.00 0.00 37.83 35.08 1qgb s LYS 59 CO -0.06 0.17 2.12 -2.30 1.55 0.00 0.00 175.35 176.82 1qgb n PRO 60 N 3.38 0.50 0.20 4.03 -0.02 -1.26 -4.75 135.00 137.08 1qgb n PRO 60 Ca -0.20 0.14 0.16 0.00 -2.02 0.00 0.00 63.50 61.59 1qgb n PRO 60 Cb 0.53 -1.92 0.63 0.00 -0.02 0.00 0.00 33.50 32.71 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 10.11 0.00 -6.27 -0.52 4.11 -1.98 -3.37 114.58 116.66 1qgb h GLU 61 Ca -0.20 0.00 -0.54 0.00 0.07 0.00 0.00 59.36 58.68 1qgb h GLU 61 Cb 1.37 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.58 1qgb h GLU 61 CO 1.05 0.00 1.20 0.00 0.07 0.00 0.00 179.01 181.33 1qgb s ALA 62 N -4.27 2.68 0.32 1.06 0.00 -1.26 -4.98 121.76 115.30 1qgb s ALA 62 Ca -0.03 -0.41 0.09 0.00 0.00 0.00 0.00 51.96 51.61 1qgb s ALA 62 Cb 0.10 -4.12 -0.05 0.00 0.00 0.00 0.00 23.12 19.05 1qgb s ALA 62 CO 0.33 -3.07 0.06 -2.00 0.00 0.00 0.00 175.76 171.08 1qgb s GLU 63 N 5.89 2.26 -0.28 0.00 2.12 -1.26 -5.06 118.70 122.37 1qgb s GLU 63 Ca 0.63 -1.57 0.06 0.00 0.36 0.00 0.00 54.97 54.45 1qgb s GLU 63 Cb -0.14 -2.10 0.21 0.00 0.26 0.00 0.00 34.13 32.36 1qgb s GLU 63 CO 0.27 0.19 1.14 -1.91 -0.54 0.00 0.00 175.26 174.41 1qgb n GLU 64 N -1.01 0.67 -4.11 4.30 2.13 -1.26 -4.93 120.64 116.43 1qgb n GLU 64 Ca -0.04 -0.98 -0.10 0.00 0.66 0.00 0.00 57.16 56.70 1qgb n GLU 64 Cb 0.61 0.08 -0.09 0.00 0.27 0.00 0.00 31.44 32.30 1qgb n GLU 64 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1qgb s THR 65 N 0.09 0.07 0.22 6.31 -4.23 -1.26 -4.13 115.64 112.71 1qgb s THR 65 Ca 0.09 -1.80 -0.02 0.00 -1.18 0.00 0.00 61.69 58.78 1qgb s THR 65 Cb 0.22 -2.10 0.01 0.00 1.34 0.00 0.00 72.50 71.97 1qgb s THR 65 CO -0.06 -0.31 0.33 0.00 -0.54 0.00 0.00 174.62 174.04 1qgb s PHE 67 N -3.83 -0.12 -0.44 0.00 2.19 -1.20 -4.11 117.98 110.46 1qgb s PHE 67 Ca 0.17 0.04 -0.01 0.00 0.33 0.00 0.00 56.93 57.46 1qgb s PHE 67 Cb -0.01 0.02 0.34 0.00 -1.31 0.00 0.00 43.02 42.07 1qgb s PHE 67 CO 0.12 -0.08 1.96 -3.47 1.83 0.00 0.00 175.22 175.58 1qgb n ASP 68 N 4.09 6.37 0.00 6.13 -0.08 -1.26 -4.56 116.55 127.26 1qgb n ASP 68 Ca 0.07 -3.33 0.00 0.00 -1.51 0.00 0.00 54.79 50.02 1qgb n ASP 68 Cb 0.62 -0.97 0.00 0.00 2.34 0.00 0.00 41.12 43.11 1qgb n ASP 68 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 1qgb n LYS 69 N -0.28 0.00 0.00 -0.67 2.85 -1.26 -4.60 118.16 114.21 1qgb n LYS 69 Ca 0.44 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.70 1qgb n LYS 69 Cb 0.74 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.12 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 -1.06 5.58 4.01 -1.26 -3.12 117.16 121.31 1qgb n TYR 70 Ca 0.00 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.75 1qgb n TYR 70 Cb 0.00 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.04 1qgb n TYR 70 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1qgb n THR 71 N 0.00 0.31 -1.79 -0.72 -2.24 -1.26 -4.99 114.28 103.59 1qgb n THR 71 Ca 0.00 -0.33 -0.07 0.00 -2.27 0.00 0.00 64.05 61.38 1qgb n THR 71 Cb 0.00 0.71 -0.02 0.00 -2.10 0.00 0.00 70.33 68.93 1qgb n THR 71 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qgb n GLY 72 N -0.19 0.11 3.60 3.38 0.00 -1.18 -4.83 105.19 106.08 1qgb n GLY 72 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.78 6.13 -0.41 1.61 3.84 -1.26 -4.96 114.94 118.12 1qgb s ASN 73 Ca 0.00 0.98 -0.29 0.00 0.21 0.00 0.00 52.86 53.76 1qgb s ASN 73 Cb 0.00 -2.53 0.02 0.00 -0.55 0.00 0.00 41.25 38.18 1qgb s ASN 73 CO 0.00 -1.57 1.20 -0.89 -2.79 0.00 0.00 177.10 173.05 1qgb s THR 74 N 6.09 4.20 0.41 -5.21 2.01 -1.26 -4.26 115.64 117.63 1qgb s THR 74 Ca 0.68 1.29 0.01 0.00 0.31 0.00 0.00 61.69 63.98 1qgb s THR 74 Cb -0.17 -4.43 0.08 0.00 0.01 0.00 0.00 72.50 67.99 1qgb s THR 74 CO 0.33 -0.78 0.56 -1.22 -0.69 0.00 0.00 174.62 172.82 1qgb n TYR 75 N 7.79 -2.98 -3.95 4.92 4.01 -1.26 -4.83 117.16 120.87 1qgb n TYR 75 Ca 0.13 -1.10 -0.35 0.00 -0.16 0.00 0.00 57.90 56.42 1qgb n TYR 75 Cb 0.48 -0.41 -0.11 0.00 -0.31 0.00 0.00 39.34 39.00 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 -3.89 3.86 0.32 -0.72 6.06 -1.26 -2.71 118.95 120.60 1qgb s ARG 76 Ca 0.39 -0.40 0.23 0.00 -2.50 0.00 0.00 55.73 53.45 1qgb s ARG 76 Cb -0.02 -3.25 1.16 0.00 0.06 0.00 0.00 34.95 32.89 1qgb s ARG 76 CO 0.25 0.11 1.69 0.28 -2.50 0.00 0.00 175.30 175.14 1qgb n VAL 77 N 4.03 0.96 -0.70 7.11 0.31 -1.26 -1.10 118.33 127.68 1qgb n VAL 77 Ca -0.16 0.61 0.09 0.00 -0.01 0.00 0.00 64.34 64.86 1qgb n VAL 77 Cb 0.52 -1.60 0.34 0.00 -0.91 0.00 0.00 33.84 32.20 1qgb n VAL 77 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1qgb n GLY 78 N -0.95 2.97 3.49 2.92 0.00 -1.26 -4.78 105.19 107.57 1qgb n GLY 78 Ca -0.01 -0.86 -0.10 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.02 -0.28 0.45 1.61 2.15 -0.26 -5.14 116.67 114.19 1qgb s ASP 79 Ca 0.49 -0.43 0.03 0.00 0.43 0.00 0.00 52.55 53.08 1qgb s ASP 79 Cb 0.34 0.57 0.01 0.00 -0.30 0.00 0.00 42.92 43.53 1qgb s ASP 79 CO 0.20 -1.02 0.64 0.42 -0.17 0.00 0.00 175.17 175.24 1qgb s THR 80 N -3.86 3.41 -0.10 1.71 -4.23 -1.26 -3.96 115.64 107.35 1qgb s THR 80 Ca 0.08 -0.75 -0.05 0.00 -1.18 0.00 0.00 61.69 59.78 1qgb s THR 80 Cb -0.01 -3.22 0.04 0.00 1.34 0.00 0.00 72.50 70.65 1qgb s THR 80 CO -0.05 -0.13 0.23 -0.72 -0.54 0.00 0.00 174.62 173.42 1qgb s TYR 81 N -2.50 -0.30 -0.28 3.99 1.13 -0.79 -4.92 117.35 113.69 1qgb s TYR 81 Ca 0.52 0.73 -0.29 0.00 -1.41 0.00 0.00 57.07 56.62 1qgb s TYR 81 Cb -0.10 0.04 -0.02 0.00 -1.10 0.00 0.00 41.96 40.79 1qgb s TYR 81 CO 0.36 -0.21 1.58 -1.21 -2.51 0.00 0.00 175.55 173.55 1qgb s GLU 82 N 1.06 3.70 -0.68 -3.49 0.41 -1.26 -3.16 118.70 115.29 1qgb s GLU 82 Ca -0.08 1.46 0.05 0.00 -0.41 0.00 0.00 54.97 55.99 1qgb s GLU 82 Cb -0.09 -4.04 0.17 0.00 -1.78 0.00 0.00 34.13 28.38 1qgb s GLU 82 CO -0.07 -1.41 0.47 0.50 -0.49 0.00 0.00 175.26 174.26 1qgb s ARG 83 N 4.82 2.36 -0.40 1.61 6.06 -0.97 -4.99 118.95 127.45 1qgb s ARG 83 Ca 0.69 -3.23 -0.42 0.00 -2.50 0.00 0.00 55.73 50.27 1qgb s ARG 83 Cb -0.22 -3.34 -0.17 0.00 0.06 0.00 0.00 34.95 31.28 1qgb s ARG 83 CO 0.30 -1.27 1.85 -2.30 -2.50 0.00 0.00 175.30 171.37 1qgb n PRO 84 N 2.11 0.59 -3.93 5.12 -0.02 -1.26 -4.37 135.00 133.24 1qgb n PRO 84 Ca 0.19 0.20 -0.24 0.00 -2.02 0.00 0.00 63.50 61.63 1qgb n PRO 84 Cb 0.35 -1.87 -0.17 0.00 -0.02 0.00 0.00 33.50 31.79 1qgb n PRO 84 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1qgb s LYS 85 N 4.27 1.06 2.70 -0.52 2.47 -1.13 -4.99 119.74 123.61 1qgb s LYS 85 Ca 1.06 -0.09 0.00 0.00 -1.56 0.00 0.00 55.97 55.38 1qgb s LYS 85 Cb -1.25 -1.21 0.00 0.00 -1.46 0.00 0.00 37.83 33.91 1qgb s LYS 85 CO 0.68 -0.23 0.00 -3.47 0.16 0.00 0.00 175.35 172.49 1qgb n ASP 86 N 4.82 -0.70 -0.14 1.43 2.03 -1.26 -3.30 116.55 119.42 1qgb n ASP 86 Ca -0.13 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.22 1qgb n ASP 86 Cb 0.50 0.00 0.20 0.00 -0.72 0.00 0.00 41.12 41.10 1qgb n ASP 86 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1qgb n SER 87 N -0.85 0.41 -4.31 1.67 2.88 -1.26 -4.82 113.62 107.35 1qgb n SER 87 Ca 0.00 -1.83 -0.17 0.00 -1.33 0.00 0.00 58.87 55.55 1qgb n SER 87 Cb 0.00 -0.04 -0.10 0.00 -0.75 0.00 0.00 64.21 63.32 1qgb n SER 87 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 1qgb s MET 88 N -1.91 1.23 -0.18 -1.46 -1.94 -1.21 -5.14 119.30 108.69 1qgb s MET 88 Ca 0.13 -1.54 -0.05 0.00 -1.71 0.00 0.00 55.69 52.52 1qgb s MET 88 Cb 0.07 -0.91 -0.03 0.00 2.01 0.00 0.00 34.83 35.97 1qgb s MET 88 CO 0.10 0.13 -0.01 0.42 -0.01 0.00 0.00 175.02 175.65 1qgb s ILE 89 N -3.13 4.09 -0.04 2.53 1.09 -1.26 -2.85 121.20 121.63 1qgb s ILE 89 Ca 0.21 -0.28 0.06 0.00 -1.10 0.00 0.00 60.65 59.54 1qgb s ILE 89 Cb 0.01 -2.82 -0.01 0.00 -1.06 0.00 0.00 42.46 38.58 1qgb s ILE 89 CO 0.05 0.46 -0.22 0.26 -0.10 0.00 0.00 174.94 175.39 1qgb s TRP 90 N 0.57 2.15 -1.09 3.97 0.52 -1.26 -3.85 118.94 119.95 1qgb s TRP 90 Ca -0.01 -0.58 -0.04 0.00 0.02 0.00 0.00 56.10 55.49 1qgb s TRP 90 Cb -0.14 -1.41 0.17 0.00 -1.15 0.00 0.00 33.47 30.94 1qgb s TRP 90 CO 0.02 -0.16 2.30 -0.25 0.02 0.00 0.00 176.95 178.88 1qgb n ASP 91 N 2.89 7.61 -3.83 2.95 9.92 -0.52 -2.29 116.55 133.29 1qgb n ASP 91 Ca -0.17 -3.32 -0.35 0.00 -0.53 0.00 0.00 54.79 50.42 1qgb n ASP 91 Cb 0.52 -1.28 0.01 0.00 -0.64 0.00 0.00 41.12 39.74 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 -1.82 1.19 -0.89 0.00 2.01 -0.16 -1.88 115.64 114.08 1qgb s THR 93 Ca 0.49 -0.49 -0.25 0.00 0.31 0.00 0.00 61.69 61.75 1qgb s THR 93 Cb -0.41 -1.09 -0.11 0.00 0.01 0.00 0.00 72.50 70.90 1qgb s THR 93 CO 0.63 0.37 2.17 0.00 -0.69 0.00 0.00 174.62 177.09 1qgb n ILE 95 N 8.39 3.51 -3.23 0.00 5.41 -1.26 -4.71 119.36 127.47 1qgb n ILE 95 Ca 0.44 -3.91 0.00 0.00 1.00 0.00 0.00 62.75 60.27 1qgb n ILE 95 Cb 0.45 -1.21 0.00 0.00 -0.71 0.00 0.00 39.64 38.17 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 -0.66 -0.54 2.63 7.39 0.00 -1.26 -1.51 105.19 111.24 1qgb n GLY 96 Ca 0.56 -0.77 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 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 0.00 6.25 -1.01 4.61 0.00 -1.26 -4.58 120.51 124.51 1qgb n ALA 97 Ca 0.00 -4.22 -0.00 0.00 0.00 0.00 0.00 53.44 49.21 1qgb n ALA 97 Cb 0.00 -2.79 -0.00 0.00 0.00 0.00 0.00 19.45 16.66 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 1.94 0.24 0.00 0.00 0.00 -1.23 -4.61 105.19 101.53 1qgb n GLY 98 Ca 0.53 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.53 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 -0.70 0.00 -0.01 1.61 0.63 -1.26 -3.25 116.66 113.69 1qgb n ARG 99 Ca -0.00 0.00 -0.03 0.00 -0.92 0.00 0.00 57.85 56.90 1qgb n ARG 99 Cb 0.30 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 33.20 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 0.00 -0.22 2.68 5.14 0.00 -1.26 -4.92 105.19 106.61 1qgb n GLY 100 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.59 1.51 -1.55 1.61 1.74 -0.57 -4.92 116.66 110.89 1qgb n ARG 101 Ca -0.04 -3.19 -0.14 0.00 -0.77 0.00 0.00 57.85 53.71 1qgb n ARG 101 Cb 0.17 -1.30 -0.09 0.00 -1.02 0.00 0.00 32.46 30.22 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 -0.54 0.00 -3.01 0.55 5.41 -1.26 -4.17 119.36 116.34 1qgb n ILE 102 Ca 0.05 -0.47 -0.39 0.00 1.00 0.00 0.00 62.75 62.94 1qgb n ILE 102 Cb 0.84 -1.70 -0.06 0.00 -0.71 0.00 0.00 39.64 38.02 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 9.13 7.32 -0.04 4.38 0.15 -1.20 -4.79 113.70 128.65 1qgb s SER 103 Ca 0.97 1.57 0.02 0.00 0.70 0.00 0.00 55.95 59.20 1qgb s SER 103 Cb -0.22 -2.48 -0.03 0.00 -1.71 0.00 0.00 66.02 61.57 1qgb s SER 103 CO 0.15 0.17 -0.07 0.00 1.20 0.00 0.00 173.24 174.69 1qgb s THR 105 N -0.88 -0.73 0.31 0.00 -1.32 -1.26 -4.92 115.64 106.85 1qgb s THR 105 Ca 0.14 0.06 -0.29 0.00 -1.21 0.00 0.00 61.69 60.39 1qgb s THR 105 Cb -0.11 -0.87 -0.10 0.00 -1.51 0.00 0.00 72.50 69.91 1qgb s THR 105 CO 0.04 0.03 1.34 -0.63 -2.21 0.00 0.00 174.62 173.18 1qgb s ILE 106 N 2.59 2.70 -0.38 5.08 1.09 -1.25 -1.43 121.20 129.60 1qgb s ILE 106 Ca -0.05 0.68 -0.27 0.00 -1.10 0.00 0.00 60.65 59.90 1qgb s ILE 106 Cb -0.11 -3.43 -0.04 0.00 -1.06 0.00 0.00 42.46 37.82 1qgb s ILE 106 CO -0.17 0.15 2.04 0.00 -0.10 0.00 0.00 174.94 176.87 1qgb s ALA 107 N -0.88 2.46 -0.35 9.38 0.00 -1.26 -4.91 121.76 126.21 1qgb s ALA 107 Ca 0.51 0.19 -0.10 0.00 0.00 0.00 0.00 51.96 52.57 1qgb s ALA 107 Cb -0.40 -4.15 0.02 0.00 0.00 0.00 0.00 23.12 18.59 1qgb s ALA 107 CO 0.51 -3.27 0.17 1.21 0.00 0.00 0.00 175.76 174.38 1qgb s ASN 108 N 8.27 5.57 0.00 0.00 3.84 -1.26 -5.14 114.94 126.22 1qgb s ASN 108 Ca 0.87 -0.90 0.00 0.00 0.21 0.00 0.00 52.86 53.04 1qgb s ASN 108 Cb -0.22 -1.98 0.00 0.00 -0.55 0.00 0.00 41.25 38.50 1qgb s ASN 108 CO 0.30 -0.32 0.00 0.54 -2.79 0.00 0.00 177.10 174.83