#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 0.43 0.23 4.33 1.02 -1.26 -5.15 119.74 119.34 1qgb s LYS 18 Ca 0.00 0.92 -0.30 0.00 0.02 0.00 0.00 55.97 56.62 1qgb s LYS 18 Cb 0.00 0.10 -0.09 0.00 -0.52 0.00 0.00 37.83 37.32 1qgb s LYS 18 CO 0.00 -0.18 1.05 -1.25 -0.92 0.00 0.00 175.35 174.06 1qgb s PRO 19 N 1.72 4.68 0.00 -1.68 0.04 -1.26 -4.81 135.00 133.70 1qgb s PRO 19 Ca -0.08 1.69 0.00 0.00 0.04 0.00 0.00 61.00 62.65 1qgb s PRO 19 Cb -0.09 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.21 1qgb s PRO 19 CO -0.14 0.25 0.00 0.41 0.04 0.00 0.00 177.00 177.56 1qgb n GLY 20 N 1.56 2.75 3.17 0.56 0.00 -1.26 -4.90 105.19 107.06 1qgb n GLY 20 Ca -0.00 -2.00 -0.34 0.00 0.00 0.00 0.00 46.02 43.68 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 1.29 3.15 0.07 0.00 6.14 -1.26 -2.85 117.35 123.89 1qgb s TYR 22 Ca -0.00 0.30 -0.19 0.00 0.64 0.00 0.00 57.07 57.81 1qgb s TYR 22 Cb -0.17 -3.13 0.04 0.00 0.42 0.00 0.00 41.96 39.13 1qgb s TYR 22 CO -0.06 -0.63 0.45 0.34 0.64 0.00 0.00 175.55 176.29 1qgb s ASP 23 N 1.80 -0.34 -1.19 4.32 2.15 0.10 -4.90 116.67 118.62 1qgb s ASP 23 Ca 0.24 -0.01 0.00 0.00 0.43 0.00 0.00 52.55 53.21 1qgb s ASP 23 Cb -0.15 0.46 0.00 0.00 -0.30 0.00 0.00 42.92 42.94 1qgb s ASP 23 CO 0.15 -0.73 0.00 -3.20 -0.17 0.00 0.00 175.17 171.22 1qgb n ASN 24 N 0.28 -3.88 0.00 -0.34 5.15 -1.26 0.68 115.26 115.90 1qgb n ASN 24 Ca -0.18 0.22 0.00 0.00 -0.60 0.00 0.00 54.58 54.02 1qgb n ASN 24 Cb 0.61 -3.38 0.00 0.00 -0.53 0.00 0.00 39.78 36.48 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 -0.65 0.76 3.62 8.20 0.00 -1.26 -5.00 105.19 110.86 1qgb n GLY 25 Ca -0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.22 2.38 -0.59 1.61 3.01 0.21 -5.09 119.74 121.06 1qgb s LYS 26 Ca 0.00 -0.89 0.02 0.00 -1.01 0.00 0.00 55.97 54.09 1qgb s LYS 26 Cb 0.00 -2.44 0.15 0.00 -1.01 0.00 0.00 37.83 34.53 1qgb s LYS 26 CO 0.00 0.54 0.36 -1.58 0.51 0.00 0.00 175.35 175.18 1qgb s HIS 27 N -1.20 3.31 0.52 3.18 2.46 -1.26 -0.73 115.29 121.58 1qgb s HIS 27 Ca 0.22 -3.04 -0.09 0.00 0.47 0.00 0.00 55.06 52.62 1qgb s HIS 27 Cb -0.11 -2.95 0.12 0.00 -0.13 0.00 0.00 32.58 29.51 1qgb s HIS 27 CO 0.14 -0.75 0.70 0.66 -2.47 0.00 0.00 174.74 173.02 1qgb n TYR 28 N 3.08 -3.98 -4.10 3.88 4.02 -1.13 -4.91 117.16 114.02 1qgb n TYR 28 Ca 0.08 -0.62 -0.25 0.00 -0.01 0.00 0.00 57.90 57.10 1qgb n TYR 28 Cb 0.34 -0.55 -0.05 0.00 -0.02 0.00 0.00 39.34 39.06 1qgb n TYR 28 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 176.86 174.71 1qgb s GLN 29 N -4.53 2.89 0.83 -0.72 0.74 -1.26 -3.29 119.66 114.31 1qgb s GLN 29 Ca 0.40 -0.94 -0.14 0.00 0.05 0.00 0.00 55.36 54.73 1qgb s GLN 29 Cb -0.01 -2.61 0.01 0.00 1.10 0.00 0.00 33.01 31.50 1qgb s GLN 29 CO 0.28 0.46 0.56 -0.89 -0.55 0.00 0.00 175.29 175.15 1qgb n ILE 30 N -0.61 1.09 -1.23 -2.34 -0.00 -1.26 -1.73 119.36 113.28 1qgb n ILE 30 Ca -0.08 -0.29 -0.09 0.00 -0.00 0.00 0.00 62.75 62.29 1qgb n ILE 30 Cb 0.56 -0.75 -0.04 0.00 -0.00 0.00 0.00 39.64 39.41 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 -1.08 -5.63 -4.93 4.38 3.02 0.11 -4.95 115.26 106.18 1qgb n ASN 31 Ca 0.09 0.21 -0.27 0.00 -0.03 0.00 0.00 54.58 54.58 1qgb n ASN 31 Cb 0.51 -3.98 -0.03 0.00 -0.61 0.00 0.00 39.78 35.68 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 -2.70 3.53 -0.06 3.52 0.74 -0.71 -4.82 119.66 119.18 1qgb s GLN 32 Ca 0.00 -0.30 0.05 0.00 0.05 0.00 0.00 55.36 55.16 1qgb s GLN 32 Cb 0.00 -2.80 -0.01 0.00 1.10 0.00 0.00 33.01 31.31 1qgb s GLN 32 CO 0.00 0.36 -0.21 -0.65 -0.55 0.00 0.00 175.29 174.23 1qgb s GLN 33 N -3.44 2.24 0.31 1.67 -0.21 -1.26 -0.63 119.66 118.33 1qgb s GLN 33 Ca 0.39 -0.76 0.04 0.00 0.02 0.00 0.00 55.36 55.05 1qgb s GLN 33 Cb -0.11 -1.89 -0.04 0.00 1.00 0.00 0.00 33.01 31.98 1qgb s GLN 33 CO 0.30 0.29 0.17 1.67 -2.12 0.00 0.00 175.29 175.60 1qgb s TRP 34 N -0.00 1.62 -0.22 0.91 -2.14 -0.97 -5.00 118.94 113.14 1qgb s TRP 34 Ca -0.05 -1.40 -0.10 0.00 2.66 0.00 0.00 56.10 57.21 1qgb s TRP 34 Cb -0.13 -0.85 -0.05 0.00 -3.10 0.00 0.00 33.47 29.34 1qgb s TRP 34 CO 0.03 -0.55 0.14 -2.00 -2.66 0.00 0.00 176.95 171.91 1qgb s GLU 35 N -3.78 4.11 0.22 3.25 2.12 -1.26 -1.44 118.70 121.92 1qgb s GLU 35 Ca 0.35 -0.26 0.06 0.00 0.36 0.00 0.00 54.97 55.49 1qgb s GLU 35 Cb 0.05 -3.46 -0.05 0.00 0.26 0.00 0.00 34.13 30.93 1qgb s GLU 35 CO 0.18 0.18 -0.08 0.50 -0.54 0.00 0.00 175.26 175.51 1qgb s ARG 36 N 0.69 1.35 -0.03 4.30 6.06 0.48 -4.93 118.95 126.88 1qgb s ARG 36 Ca 0.07 -1.64 -0.00 0.00 -2.50 0.00 0.00 55.73 51.66 1qgb s ARG 36 Cb -0.12 -0.92 0.03 0.00 0.06 0.00 0.00 34.95 34.00 1qgb s ARG 36 CO 0.01 0.05 0.05 0.99 -2.50 0.00 0.00 175.30 173.90 1qgb s THR 37 N -3.16 -0.06 -0.13 4.11 2.01 -1.26 0.26 115.64 117.41 1qgb s THR 37 Ca 0.25 0.21 -0.00 0.00 0.31 0.00 0.00 61.69 62.46 1qgb s THR 37 Cb 0.03 -0.11 0.03 0.00 0.01 0.00 0.00 72.50 72.46 1qgb s THR 37 CO 0.08 0.09 -0.09 -0.47 -0.69 0.00 0.00 174.62 173.53 1qgb s TYR 38 N 1.10 1.76 -0.14 4.92 6.14 -1.14 -4.68 117.35 125.31 1qgb s TYR 38 Ca -0.09 -0.96 0.00 0.00 0.64 0.00 0.00 57.07 56.66 1qgb s TYR 38 Cb -0.13 -1.37 0.00 0.00 0.42 0.00 0.00 41.96 40.88 1qgb s TYR 38 CO -0.03 -0.58 0.00 -0.11 0.64 0.00 0.00 175.55 175.46 1qgb n LEU 39 N 4.87 0.03 -0.36 6.97 7.94 -1.26 -3.36 117.00 131.83 1qgb n LEU 39 Ca -0.14 0.03 0.00 0.00 -1.11 0.00 0.00 56.01 54.79 1qgb n LEU 39 Cb 0.50 -0.90 0.00 0.00 0.53 0.00 0.00 43.42 43.55 1qgb n LEU 39 CO 0.18 -0.19 0.00 0.61 -1.11 0.00 0.00 177.39 176.88 1qgb n GLY 40 N -2.34 0.96 2.80 -3.96 0.00 -1.26 -5.08 105.19 96.31 1qgb n GLY 40 Ca -0.01 -0.53 -0.16 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.77 0.42 0.34 1.61 0.01 -1.21 -5.13 114.94 108.20 1qgb s ASN 41 Ca 0.00 0.18 -0.16 0.00 -0.71 0.00 0.00 52.86 52.18 1qgb s ASN 41 Cb 0.00 0.06 -0.12 0.00 0.41 0.00 0.00 41.25 41.60 1qgb s ASN 41 CO 0.00 -0.19 0.02 0.00 -1.51 0.00 0.00 177.10 175.42 1qgb n ALA 42 N 4.70 -2.66 -3.49 0.60 0.00 -1.26 -2.87 120.51 115.53 1qgb n ALA 42 Ca -0.17 0.05 -0.17 0.00 0.00 0.00 0.00 53.44 53.15 1qgb n ALA 42 Cb 0.50 -1.13 -0.06 0.00 0.00 0.00 0.00 19.45 18.76 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 3.54 -0.55 -0.05 0.00 2.96 0.73 -4.70 118.68 120.61 1qgb s LEU 43 Ca 0.46 0.63 0.05 0.00 -0.22 0.00 0.00 54.13 55.05 1qgb s LEU 43 Cb -0.46 2.46 -0.01 0.00 0.50 0.00 0.00 46.19 48.67 1qgb s LEU 43 CO 0.50 -0.62 -0.22 -0.69 -1.32 0.00 0.00 176.35 173.99 1qgb s VAL 44 N -1.38 1.81 0.23 1.68 1.01 0.15 0.18 120.40 124.09 1qgb s VAL 44 Ca -0.10 -0.93 0.11 0.00 0.00 0.00 0.00 61.98 61.06 1qgb s VAL 44 Cb -0.00 -1.54 -0.05 0.00 0.00 0.00 0.00 36.38 34.79 1qgb s VAL 44 CO 0.08 0.51 -0.18 0.00 0.00 0.00 0.00 175.10 175.50 1qgb s THR 46 N -2.08 -0.12 0.10 0.00 2.01 -1.18 -2.28 115.64 112.09 1qgb s THR 46 Ca 0.26 0.20 -0.30 0.00 0.31 0.00 0.00 61.69 62.16 1qgb s THR 46 Cb -0.07 -0.33 -0.06 0.00 0.01 0.00 0.00 72.50 72.06 1qgb s THR 46 CO 0.13 0.00 1.13 0.00 -0.69 0.00 0.00 174.62 175.19 1qgb n TYR 48 N 3.29 0.00 0.00 0.00 4.02 -1.25 0.06 117.16 123.27 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 0.47 -0.58 0.00 0.00 -0.02 0.00 0.00 39.34 39.21 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 1.90 -0.87 7.00 2.72 0.00 -1.26 -4.56 105.19 110.11 1qgb n GLY 49 Ca -0.16 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.23 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 -0.70 3.56 0.01 -0.02 0.00 -1.26 -2.14 105.19 104.64 1qgb n GLY 50 Ca 0.00 -0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.04 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 4.76 0.66 -0.26 1.61 2.88 -1.26 -4.27 113.62 117.75 1qgb n SER 51 Ca 0.00 -0.48 0.25 0.00 -1.33 0.00 0.00 58.87 57.31 1qgb n SER 51 Cb 0.00 0.96 0.59 0.00 -0.75 0.00 0.00 64.21 65.01 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 0.24 -2.94 -1.46 2.47 -1.76 -3.47 114.38 107.45 1qgb h ARG 52 Ca 0.00 -0.01 0.29 0.00 -1.26 0.00 0.00 59.98 59.00 1qgb h ARG 52 Cb 0.65 -0.05 -0.16 0.00 -1.65 0.00 0.00 29.97 28.76 1qgb h ARG 52 CO 0.00 0.16 -1.05 0.41 0.56 0.00 0.00 179.97 180.05 1qgb n GLY 53 N -1.59 -3.21 3.93 0.04 0.00 -1.25 -4.90 105.19 98.21 1qgb n GLY 53 Ca 0.22 -1.11 -0.25 0.00 0.00 0.00 0.00 46.02 44.87 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 -4.01 3.44 -0.04 1.61 -0.12 -1.26 -3.88 117.98 113.72 1qgb s PHE 54 Ca 0.00 0.48 -0.02 0.00 -0.05 0.00 0.00 56.93 57.34 1qgb s PHE 54 Cb 0.00 -2.17 0.03 0.00 -0.63 0.00 0.00 43.02 40.25 1qgb s PHE 54 CO 0.00 -0.17 0.06 -0.80 -0.05 0.00 0.00 175.22 174.25 1qgb s ASN 55 N -4.12 1.08 0.56 1.98 -0.87 -1.18 -4.95 114.94 107.44 1qgb s ASN 55 Ca 0.45 0.07 -0.01 0.00 -1.57 0.00 0.00 52.86 51.80 1qgb s ASN 55 Cb -0.10 -0.14 0.03 0.00 -0.02 0.00 0.00 41.25 41.02 1qgb s ASN 55 CO 0.40 -0.24 0.81 0.00 -2.57 0.00 0.00 177.10 175.50 1qgb n GLU 57 N -2.43 0.18 -1.88 0.00 0.28 0.27 -4.93 120.64 112.14 1qgb n GLU 57 Ca 0.06 -0.68 -0.31 0.00 -0.16 0.00 0.00 57.16 56.07 1qgb n GLU 57 Cb 0.59 1.10 0.01 0.00 1.43 0.00 0.00 31.44 34.58 1qgb n GLU 57 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 1qgb s SER 58 N -3.33 6.23 -0.46 -1.84 0.01 -1.26 0.32 113.70 113.37 1qgb s SER 58 Ca 0.25 1.41 -0.28 0.00 1.31 0.00 0.00 55.95 58.64 1qgb s SER 58 Cb -0.01 -2.47 0.03 0.00 0.21 0.00 0.00 66.02 63.78 1qgb s SER 58 CO -0.00 -0.87 1.07 -0.54 0.41 0.00 0.00 173.24 173.31 1qgb s LYS 59 N -5.18 3.70 -0.76 12.44 1.02 -1.26 -4.70 119.74 125.00 1qgb s LYS 59 Ca 0.55 0.48 -0.25 0.00 0.02 0.00 0.00 55.97 56.77 1qgb s LYS 59 Cb -0.11 -3.90 -0.16 0.00 -0.52 0.00 0.00 37.83 33.14 1qgb s LYS 59 CO 0.54 -1.29 2.46 -2.30 -0.92 0.00 0.00 175.35 173.84 1qgb n PRO 60 N 7.55 0.51 -0.59 -1.68 -0.02 -1.26 -4.74 135.00 134.78 1qgb n PRO 60 Ca 0.10 -0.17 0.02 0.00 -2.02 0.00 0.00 63.50 61.44 1qgb n PRO 60 Cb 0.49 -2.62 0.22 0.00 -0.02 0.00 0.00 33.50 31.57 1qgb n PRO 60 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1qgb n GLU 61 N 8.35 2.25 -4.40 -0.52 0.28 -1.26 -4.96 120.64 120.38 1qgb n GLU 61 Ca 0.51 -2.99 -0.24 0.00 -0.16 0.00 0.00 57.16 54.28 1qgb n GLU 61 Cb 0.32 -1.80 -0.17 0.00 1.43 0.00 0.00 31.44 31.23 1qgb n GLU 61 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1qgb s ALA 62 N -3.04 1.20 -0.07 -1.84 0.00 -1.26 -5.10 121.76 111.65 1qgb s ALA 62 Ca 0.42 -0.39 -0.30 0.00 0.00 0.00 0.00 51.96 51.70 1qgb s ALA 62 Cb 0.37 -0.62 -0.06 0.00 0.00 0.00 0.00 23.12 22.81 1qgb s ALA 62 CO 0.04 -0.01 1.78 -2.00 0.00 0.00 0.00 175.76 175.57 1qgb s GLU 63 N 0.90 4.02 0.00 0.00 2.12 -1.26 -4.99 118.70 119.49 1qgb s GLU 63 Ca -0.10 2.21 0.00 0.00 0.36 0.00 0.00 54.97 57.43 1qgb s GLU 63 Cb -0.15 -4.08 0.00 0.00 0.26 0.00 0.00 34.13 30.16 1qgb s GLU 63 CO 0.01 -1.05 0.00 0.39 -0.54 0.00 0.00 175.26 174.06 1qgb n GLU 64 N 7.47 -0.51 -0.25 4.30 1.02 -1.26 -2.72 120.64 128.68 1qgb n GLU 64 Ca 0.19 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.37 1qgb n GLU 64 Cb 0.43 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.84 1qgb n GLU 64 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1qgb n THR 65 N -1.97 0.00 -3.44 2.62 -2.24 -1.26 -3.99 114.28 103.99 1qgb n THR 65 Ca 0.00 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.74 1qgb n THR 65 Cb 0.00 -0.09 0.02 0.00 -2.10 0.00 0.00 70.33 68.16 1qgb n THR 65 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qgb s PHE 67 N -5.28 1.20 -0.73 0.00 2.19 -1.26 -3.34 117.98 110.76 1qgb s PHE 67 Ca 0.09 -0.30 0.03 0.00 0.33 0.00 0.00 56.93 57.07 1qgb s PHE 67 Cb -0.02 -0.73 0.18 0.00 -1.31 0.00 0.00 43.02 41.13 1qgb s PHE 67 CO 0.06 0.01 0.54 0.34 1.83 0.00 0.00 175.22 178.00 1qgb s ASP 68 N -0.82 5.09 0.48 6.13 2.15 -1.08 -4.88 116.67 123.74 1qgb s ASP 68 Ca 0.03 -3.69 0.33 0.00 0.43 0.00 0.00 52.55 49.64 1qgb s ASP 68 Cb -0.07 -1.72 1.45 0.00 -0.30 0.00 0.00 42.92 42.28 1qgb s ASP 68 CO 0.01 -0.14 1.69 0.07 -0.17 0.00 0.00 175.17 176.63 1qgb h LYS 69 N 5.74 0.11 -0.48 4.34 2.10 -1.95 2.06 116.57 128.49 1qgb h LYS 69 Ca 0.12 -0.01 0.05 0.00 -2.00 0.00 0.00 60.65 58.81 1qgb h LYS 69 Cb 0.79 -0.02 -0.08 0.00 -0.90 0.00 0.00 32.23 32.02 1qgb h LYS 69 CO 0.75 0.07 -0.49 1.88 -2.00 0.00 0.00 179.45 179.66 1qgb h TYR 70 N 0.11 -1.53 0.00 0.07 -1.99 -1.98 -3.27 116.97 108.38 1qgb h TYR 70 Ca 0.73 0.08 -0.09 0.00 2.00 0.00 0.00 58.73 61.45 1qgb h TYR 70 Cb 2.49 0.73 -0.20 0.00 2.00 0.00 0.00 36.73 41.75 1qgb h TYR 70 CO -0.00 -0.40 -0.74 2.41 -0.00 0.00 0.00 178.16 179.43 1qgb n THR 71 N -5.01 0.63 -3.25 -2.88 -1.04 -0.43 -5.05 114.28 97.25 1qgb n THR 71 Ca -0.02 -1.40 -0.24 0.00 -2.04 0.00 0.00 64.05 60.35 1qgb n THR 71 Cb 0.28 0.54 0.02 0.00 -1.82 0.00 0.00 70.33 69.35 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 -0.10 -0.50 2.88 3.41 0.00 0.69 -5.01 105.19 106.55 1qgb n GLY 72 Ca 0.09 1.01 -0.13 0.00 0.00 0.00 0.00 46.02 46.98 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 -1.71 0.70 -0.09 1.61 -0.87 -1.18 -4.89 114.94 108.51 1qgb s ASN 73 Ca 0.28 0.13 -0.29 0.00 -1.57 0.00 0.00 52.86 51.40 1qgb s ASN 73 Cb -0.04 0.77 -0.01 0.00 -0.02 0.00 0.00 41.25 41.94 1qgb s ASN 73 CO 0.74 -0.30 1.00 -0.89 -2.57 0.00 0.00 177.10 175.07 1qgb s THR 74 N 2.44 4.80 0.47 1.60 2.01 -1.26 -2.63 115.64 123.07 1qgb s THR 74 Ca 0.08 2.03 0.03 0.00 0.31 0.00 0.00 61.69 64.14 1qgb s THR 74 Cb -0.15 -4.31 -0.03 0.00 0.01 0.00 0.00 72.50 68.02 1qgb s THR 74 CO -0.13 0.03 0.02 -0.31 -0.69 0.00 0.00 174.62 173.53 1qgb s TYR 75 N 1.88 2.04 0.29 4.92 2.02 -1.21 -4.87 117.35 122.41 1qgb s TYR 75 Ca 0.48 -0.91 -0.05 0.00 -0.37 0.00 0.00 57.07 56.22 1qgb s TYR 75 Cb -0.19 -1.60 -0.05 0.00 -0.40 0.00 0.00 41.96 39.72 1qgb s TYR 75 CO 0.19 0.23 0.56 1.03 -1.57 0.00 0.00 175.55 175.99 1qgb s ARG 76 N -3.82 3.64 0.05 -0.62 0.52 -1.26 -1.26 118.95 116.20 1qgb s ARG 76 Ca 0.16 0.02 -0.25 0.00 -0.52 0.00 0.00 55.73 55.15 1qgb s ARG 76 Cb 0.04 -2.64 -0.13 0.00 0.52 0.00 0.00 34.95 32.74 1qgb s ARG 76 CO 0.08 0.21 1.38 0.28 0.02 0.00 0.00 175.30 177.27 1qgb h VAL 77 N 1.35 0.00 -0.35 3.52 2.07 -1.84 -3.01 116.25 117.99 1qgb h VAL 77 Ca -0.48 0.00 -0.35 0.00 0.82 0.00 0.00 66.70 66.69 1qgb h VAL 77 Cb 1.19 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.87 1qgb h VAL 77 CO 0.66 0.00 0.42 0.61 0.02 0.00 0.00 177.57 179.28 1qgb n GLY 78 N -1.42 3.61 3.07 2.17 0.00 -1.26 -4.34 105.19 107.03 1qgb n GLY 78 Ca -0.10 -1.47 -0.12 0.00 0.00 0.00 0.00 46.02 44.33 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 1.49 -0.03 0.32 1.61 -1.08 -1.14 -5.14 116.67 112.71 1qgb s ASP 79 Ca 0.64 0.62 -0.14 0.00 -0.52 0.00 0.00 52.55 53.15 1qgb s ASP 79 Cb 0.32 0.63 -0.09 0.00 -1.46 0.00 0.00 42.92 42.32 1qgb s ASP 79 CO -0.07 -0.20 0.72 0.42 0.52 0.00 0.00 175.17 176.56 1qgb s THR 80 N 1.86 4.71 -0.20 1.71 -4.23 -1.26 -4.13 115.64 114.10 1qgb s THR 80 Ca -0.04 0.89 -0.04 0.00 -1.18 0.00 0.00 61.69 61.31 1qgb s THR 80 Cb -0.11 -3.62 0.10 0.00 1.34 0.00 0.00 72.50 70.21 1qgb s THR 80 CO -0.09 -0.19 0.32 -0.72 -0.54 0.00 0.00 174.62 173.40 1qgb s TYR 81 N -1.99 -0.60 0.38 3.99 1.13 -0.80 -5.05 117.35 114.41 1qgb s TYR 81 Ca 0.53 0.87 -0.27 0.00 -1.41 0.00 0.00 57.07 56.79 1qgb s TYR 81 Cb -0.10 -0.02 -0.09 0.00 -1.10 0.00 0.00 41.96 40.64 1qgb s TYR 81 CO 0.18 -0.55 1.32 -1.21 -2.51 0.00 0.00 175.55 172.78 1qgb s GLU 82 N 2.48 4.11 -0.42 -3.49 2.02 -1.26 -2.66 118.70 119.47 1qgb s GLU 82 Ca 0.06 2.21 0.02 0.00 0.02 0.00 0.00 54.97 57.27 1qgb s GLU 82 Cb -0.14 -2.88 0.15 0.00 0.10 0.00 0.00 34.13 31.36 1qgb s GLU 82 CO -0.12 -0.39 0.28 0.50 0.02 0.00 0.00 175.26 175.54 1qgb s ARG 83 N -2.08 1.03 -0.79 1.61 6.06 -1.23 -4.88 118.95 118.66 1qgb s ARG 83 Ca 0.54 -1.92 -0.25 0.00 -2.50 0.00 0.00 55.73 51.60 1qgb s ARG 83 Cb -0.39 -1.82 -0.18 0.00 0.06 0.00 0.00 34.95 32.62 1qgb s ARG 83 CO 0.51 -1.25 2.47 -2.30 -2.50 0.00 0.00 175.30 172.23 1qgb n PRO 84 N 3.39 0.44 -5.18 5.12 -0.02 -1.26 -4.21 135.00 133.27 1qgb n PRO 84 Ca 0.17 -0.14 -0.30 0.00 -2.02 0.00 0.00 63.50 61.20 1qgb n PRO 84 Cb 0.39 -2.43 -0.16 0.00 -0.02 0.00 0.00 33.50 31.28 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 8.43 2.28 2.29 -0.52 1.02 -1.24 -5.02 119.74 126.97 1qgb s LYS 85 Ca 1.16 -0.85 0.00 0.00 0.02 0.00 0.00 55.97 56.30 1qgb s LYS 85 Cb -0.65 -2.00 0.00 0.00 -0.52 0.00 0.00 37.83 34.67 1qgb s LYS 85 CO 0.36 0.39 0.00 -3.47 -0.92 0.00 0.00 175.35 171.71 1qgb n ASP 86 N 2.86 -1.06 -2.10 2.83 2.03 -1.26 -2.62 116.55 117.23 1qgb n ASP 86 Ca -0.17 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 54.94 1qgb n ASP 86 Cb 0.52 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.91 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 -3.34 6.38 -3.50 1.67 2.88 -1.26 -4.76 113.62 111.69 1qgb n SER 87 Ca 0.00 -3.07 0.02 0.00 -1.33 0.00 0.00 58.87 54.49 1qgb n SER 87 Cb 0.00 -1.14 -0.05 0.00 -0.75 0.00 0.00 64.21 62.27 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 -1.59 0.14 -0.09 -1.46 0.00 -1.08 -5.15 119.30 110.07 1qgb s MET 88 Ca 0.42 0.29 -0.23 0.00 0.00 0.00 0.00 55.69 56.17 1qgb s MET 88 Cb 0.29 0.09 -0.03 0.00 0.00 0.00 0.00 34.83 35.18 1qgb s MET 88 CO -0.08 -0.04 0.69 0.42 0.00 0.00 0.00 175.02 176.01 1qgb s ILE 89 N 1.54 5.04 -0.18 10.11 1.01 -1.26 -3.72 121.20 133.75 1qgb s ILE 89 Ca -0.05 1.40 0.01 0.00 0.00 0.00 0.00 60.65 62.01 1qgb s ILE 89 Cb -0.03 -4.02 0.02 0.00 0.01 0.00 0.00 42.46 38.44 1qgb s ILE 89 CO -0.13 0.22 -0.20 0.26 0.00 0.00 0.00 174.94 175.09 1qgb s TRP 90 N 1.03 2.77 -0.86 3.97 0.52 -1.26 -4.27 118.94 120.84 1qgb s TRP 90 Ca 0.36 -1.62 -0.26 0.00 0.02 0.00 0.00 56.10 54.60 1qgb s TRP 90 Cb -0.17 -1.91 -0.16 0.00 -1.15 0.00 0.00 33.47 30.08 1qgb s TRP 90 CO 0.16 -0.79 2.33 -0.51 0.02 0.00 0.00 176.95 178.16 1qgb s ASP 91 N 1.25 3.81 -0.00 2.95 1.11 0.19 -3.55 116.67 122.43 1qgb s ASP 91 Ca 0.04 -0.20 -0.30 0.00 0.18 0.00 0.00 52.55 52.26 1qgb s ASP 91 Cb -0.13 -2.56 -0.06 0.00 1.07 0.00 0.00 42.92 41.23 1qgb s ASP 91 CO -0.12 -4.06 1.56 0.00 1.18 0.00 0.00 175.17 173.73 1qgb s THR 93 N 3.02 3.38 -0.80 0.00 2.01 0.27 -1.90 115.64 121.62 1qgb s THR 93 Ca 0.70 -0.58 -0.10 0.00 0.31 0.00 0.00 61.69 62.02 1qgb s THR 93 Cb -0.34 -2.39 -0.08 0.00 0.01 0.00 0.00 72.50 69.70 1qgb s THR 93 CO 0.29 0.57 1.97 0.00 -0.69 0.00 0.00 174.62 176.76 1qgb s ILE 95 N 3.96 3.45 0.00 0.00 1.01 -1.26 -4.52 121.20 123.85 1qgb s ILE 95 Ca 0.41 -0.00 0.00 0.00 0.00 0.00 0.00 60.65 61.06 1qgb s ILE 95 Cb 0.10 -4.12 0.00 0.00 0.01 0.00 0.00 42.46 38.45 1qgb s ILE 95 CO 0.01 -1.08 0.00 0.61 0.00 0.00 0.00 174.94 174.48 1qgb n GLY 96 N 6.08 2.54 3.41 6.18 0.00 -1.26 0.34 105.19 122.47 1qgb n GLY 96 Ca 0.25 -0.67 -0.12 0.00 0.00 0.00 0.00 46.02 45.48 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 0.57 0.00 4.61 0.00 -1.26 0.12 120.51 124.55 1qgb n ALA 97 Ca 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 53.44 52.12 1qgb n ALA 97 Cb 0.00 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.10 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 5.71 1.53 0.92 0.00 0.00 0.28 -4.09 105.19 109.54 1qgb n GLY 98 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 -0.08 0.00 0.00 1.61 0.63 0.32 -4.53 116.66 114.61 1qgb n ARG 99 Ca 0.00 0.42 0.00 0.00 -0.92 0.00 0.00 57.85 57.35 1qgb n ARG 99 Cb 0.00 -0.50 0.00 0.00 0.45 0.00 0.00 32.46 32.41 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 0.43 0.14 2.58 5.14 0.00 -1.20 -4.97 105.19 107.31 1qgb n GLY 100 Ca 0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.35 1.39 -1.52 1.61 3.00 0.15 -5.01 116.66 114.94 1qgb n ARG 101 Ca 0.00 -2.66 -0.20 0.00 -0.01 0.00 0.00 57.85 54.98 1qgb n ARG 101 Cb 0.00 -0.83 -0.16 0.00 0.00 0.00 0.00 32.46 31.46 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 -0.71 -0.00 -3.21 0.55 5.41 -1.18 -4.37 119.36 115.84 1qgb n ILE 102 Ca -0.01 -0.49 -0.33 0.00 1.00 0.00 0.00 62.75 62.93 1qgb n ILE 102 Cb 0.85 -0.80 -0.06 0.00 -0.71 0.00 0.00 39.64 38.92 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 4.57 6.76 -0.20 4.38 0.15 -1.13 -4.75 113.70 123.49 1qgb s SER 103 Ca 1.18 1.19 -0.03 0.00 0.70 0.00 0.00 55.95 58.99 1qgb s SER 103 Cb -0.60 -2.34 0.06 0.00 -1.71 0.00 0.00 66.02 61.44 1qgb s SER 103 CO 0.39 -0.14 0.04 0.00 1.20 0.00 0.00 173.24 174.73 1qgb s THR 105 N 1.85 4.42 -0.74 0.00 -1.32 -1.16 -4.61 115.64 114.09 1qgb s THR 105 Ca -0.00 -0.40 -0.26 0.00 -1.21 0.00 0.00 61.69 59.82 1qgb s THR 105 Cb -0.17 -2.95 -0.06 0.00 -1.51 0.00 0.00 72.50 67.81 1qgb s THR 105 CO -0.10 0.45 2.08 -0.63 -2.21 0.00 0.00 174.62 174.22 1qgb s ILE 106 N -1.05 3.27 -0.19 5.08 1.09 -1.26 0.54 121.20 128.68 1qgb s ILE 106 Ca 0.18 -0.08 -0.00 0.00 -1.10 0.00 0.00 60.65 59.65 1qgb s ILE 106 Cb -0.12 -3.65 0.05 0.00 -1.06 0.00 0.00 42.46 37.68 1qgb s ILE 106 CO 0.08 -0.62 -0.05 0.00 -0.10 0.00 0.00 174.94 174.26 1qgb s ALA 107 N 11.05 1.61 -0.34 9.38 0.00 -1.26 -4.94 121.76 137.25 1qgb s ALA 107 Ca 0.78 -0.99 -0.01 0.00 0.00 0.00 0.00 51.96 51.74 1qgb s ALA 107 Cb -0.11 -1.23 0.28 0.00 0.00 0.00 0.00 23.12 22.06 1qgb s ALA 107 CO 0.11 -0.94 1.24 -1.71 0.00 0.00 0.00 175.76 174.45 1qgb n ASN 108 N 4.82 -1.42 0.00 0.00 2.85 -1.26 -4.68 115.26 115.58 1qgb n ASN 108 Ca -0.12 -1.93 0.00 0.00 -0.11 0.00 0.00 54.58 52.42 1qgb n ASN 108 Cb 0.47 0.88 0.00 0.00 1.24 0.00 0.00 39.78 42.37 1qgb n ASN 108 CO 0.00 0.00 0.00 -2.11 -2.11 0.00 0.00 177.26 173.04