#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 0.29 0.00 -1.46 2.20 -1.26 -5.18 119.74 114.33 1qgb s LYS 18 Ca 0.00 0.49 0.00 0.00 -0.36 0.00 0.00 55.97 56.10 1qgb s LYS 18 Cb 0.00 0.07 0.00 0.00 -1.51 0.00 0.00 37.83 36.39 1qgb s LYS 18 CO 0.00 -0.06 0.00 -0.35 -0.36 0.00 0.00 175.35 174.58 1qgb n PRO 19 N 3.34 0.13 0.00 4.03 -0.04 -1.26 -5.01 135.00 136.19 1qgb n PRO 19 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 1qgb n PRO 19 Cb 0.57 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.03 1qgb n PRO 19 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1qgb n GLY 20 N 3.55 1.33 2.68 0.55 0.00 -1.26 -4.99 105.19 107.04 1qgb n GLY 20 Ca 0.00 -2.27 -0.22 0.00 0.00 0.00 0.00 46.02 43.53 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 2.24 3.23 -0.02 0.00 6.14 -1.26 -1.89 117.35 125.79 1qgb s TYR 22 Ca 0.06 0.23 -0.15 0.00 0.64 0.00 0.00 57.07 57.86 1qgb s TYR 22 Cb -0.16 -2.61 0.02 0.00 0.42 0.00 0.00 41.96 39.63 1qgb s TYR 22 CO -0.18 -0.31 0.31 -0.51 0.64 0.00 0.00 175.55 175.50 1qgb s ASP 23 N 1.69 -0.19 -0.66 4.32 1.11 -0.59 -4.88 116.67 117.47 1qgb s ASP 23 Ca 0.14 0.10 -0.00 0.00 0.18 0.00 0.00 52.55 52.96 1qgb s ASP 23 Cb -0.16 0.32 0.00 0.00 1.07 0.00 0.00 42.92 44.15 1qgb s ASP 23 CO 0.11 -0.44 0.01 -3.20 1.18 0.00 0.00 175.17 172.83 1qgb n ASN 24 N 1.32 -2.78 -0.48 0.27 5.15 -1.26 0.17 115.26 117.66 1qgb n ASN 24 Ca -0.21 0.30 -0.06 0.00 -0.60 0.00 0.00 54.58 54.00 1qgb n ASN 24 Cb 0.56 -2.42 -0.03 0.00 -0.53 0.00 0.00 39.78 37.36 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 -0.69 0.83 3.56 8.20 0.00 -1.26 -5.01 105.19 110.82 1qgb n GLY 25 Ca -0.09 -0.43 -0.26 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.17 2.02 -0.79 1.61 3.01 0.46 -5.09 119.74 118.78 1qgb s LYS 26 Ca 0.00 -1.36 -0.02 0.00 -1.01 0.00 0.00 55.97 53.58 1qgb s LYS 26 Cb 0.00 -2.10 0.20 0.00 -1.01 0.00 0.00 37.83 34.92 1qgb s LYS 26 CO 0.00 0.41 0.65 -1.58 0.51 0.00 0.00 175.35 175.34 1qgb s HIS 27 N -1.87 3.71 0.83 3.18 2.46 -1.26 -1.55 115.29 120.80 1qgb s HIS 27 Ca 0.26 -2.91 -0.11 0.00 0.47 0.00 0.00 55.06 52.77 1qgb s HIS 27 Cb -0.08 -3.22 0.12 0.00 -0.13 0.00 0.00 32.58 29.27 1qgb s HIS 27 CO 0.15 -0.77 1.17 0.71 -2.47 0.00 0.00 174.74 173.54 1qgb s TYR 28 N -0.89 2.31 -0.06 3.88 1.51 -0.79 -4.95 117.35 118.36 1qgb s TYR 28 Ca 0.24 0.41 0.01 0.00 -1.01 0.00 0.00 57.07 56.71 1qgb s TYR 28 Cb -0.12 -3.59 -0.03 0.00 -0.11 0.00 0.00 41.96 38.11 1qgb s TYR 28 CO -0.09 -1.99 -0.05 -1.14 -1.11 0.00 0.00 175.55 171.16 1qgb s GLN 29 N -5.56 2.76 0.48 -0.62 0.74 -1.26 -3.10 119.66 113.09 1qgb s GLN 29 Ca 0.66 -0.55 -0.15 0.00 0.05 0.00 0.00 55.36 55.37 1qgb s GLN 29 Cb -0.08 -2.62 -0.12 0.00 1.10 0.00 0.00 33.01 31.29 1qgb s GLN 29 CO 0.49 0.66 -0.19 -0.89 -0.55 0.00 0.00 175.29 174.81 1qgb n ILE 30 N 2.06 0.00 -1.13 -2.34 -0.00 -1.26 -0.90 119.36 115.78 1qgb n ILE 30 Ca -0.17 -0.41 -0.05 0.00 -0.00 0.00 0.00 62.75 62.12 1qgb n ILE 30 Cb 0.53 0.00 -0.02 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 2.19 -4.92 -4.90 4.38 3.02 -0.40 -4.98 115.26 109.65 1qgb n ASN 31 Ca 0.05 0.11 -0.31 0.00 -0.03 0.00 0.00 54.58 54.40 1qgb n ASN 31 Cb 0.40 -2.82 -0.04 0.00 -0.61 0.00 0.00 39.78 36.71 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 -1.94 3.39 0.02 3.52 0.74 -0.08 -4.82 119.66 120.49 1qgb s GLN 32 Ca 0.00 -0.43 0.06 0.00 0.05 0.00 0.00 55.36 55.04 1qgb s GLN 32 Cb 0.00 -3.03 -0.03 0.00 1.10 0.00 0.00 33.01 31.05 1qgb s GLN 32 CO 0.00 0.62 -0.18 -0.65 -0.55 0.00 0.00 175.29 174.53 1qgb s GLN 33 N -2.38 2.15 0.12 1.67 -0.21 -1.26 -0.89 119.66 118.87 1qgb s GLN 33 Ca 0.33 -0.93 -0.07 0.00 0.02 0.00 0.00 55.36 54.71 1qgb s GLN 33 Cb -0.13 -2.21 -0.01 0.00 1.00 0.00 0.00 33.01 31.65 1qgb s GLN 33 CO 0.26 0.56 0.19 1.67 -2.12 0.00 0.00 175.29 175.84 1qgb s TRP 34 N -0.87 0.35 -0.21 0.91 -2.14 -0.22 -4.99 118.94 111.77 1qgb s TRP 34 Ca 0.14 -0.77 -0.10 0.00 2.66 0.00 0.00 56.10 58.03 1qgb s TRP 34 Cb -0.10 -0.14 -0.05 0.00 -3.10 0.00 0.00 33.47 30.08 1qgb s TRP 34 CO 0.04 -0.59 0.14 -2.00 -2.66 0.00 0.00 176.95 171.89 1qgb s GLU 35 N -3.93 4.15 0.00 3.25 2.12 -1.26 -0.06 118.70 122.97 1qgb s GLU 35 Ca 0.12 -0.24 0.00 0.00 0.36 0.00 0.00 54.97 55.21 1qgb s GLU 35 Cb 0.05 -3.46 0.00 0.00 0.26 0.00 0.00 34.13 30.98 1qgb s GLU 35 CO -0.06 0.21 0.00 -2.13 -0.54 0.00 0.00 175.26 172.75 1qgb n ARG 36 N 3.80 1.31 -3.75 4.30 0.63 0.28 -4.95 116.66 118.28 1qgb n ARG 36 Ca -0.16 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.65 1qgb n ARG 36 Cb 0.52 0.00 -0.12 0.00 0.45 0.00 0.00 32.46 33.31 1qgb n ARG 36 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 1qgb s THR 37 N -0.67 -0.02 -0.93 5.15 -1.32 -1.23 0.27 115.64 116.88 1qgb s THR 37 Ca 0.00 0.07 -0.18 0.00 -1.21 0.00 0.00 61.69 60.37 1qgb s THR 37 Cb 0.00 -0.40 0.14 0.00 -1.51 0.00 0.00 72.50 70.72 1qgb s THR 37 CO 0.00 0.03 1.12 -0.47 -2.21 0.00 0.00 174.62 173.09 1qgb s TYR 38 N 0.75 3.16 0.00 9.09 6.14 0.00 -4.52 117.35 131.97 1qgb s TYR 38 Ca -0.05 -1.45 0.00 0.00 0.64 0.00 0.00 57.07 56.21 1qgb s TYR 38 Cb -0.06 -4.26 0.00 0.00 0.42 0.00 0.00 41.96 38.06 1qgb s TYR 38 CO -0.05 -1.46 0.00 -0.11 0.64 0.00 0.00 175.55 174.57 1qgb n LEU 39 N 6.39 0.00 0.00 6.97 7.94 -1.26 -3.66 117.00 133.38 1qgb n LEU 39 Ca 0.24 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.14 1qgb n LEU 39 Cb 0.49 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.44 1qgb n LEU 39 CO 0.50 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.39 1qgb n GLY 40 N 0.00 0.00 3.20 -3.96 0.00 -1.26 -5.16 105.19 98.01 1qgb n GLY 40 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 -0.15 0.21 1.61 0.02 -1.24 -5.11 114.94 110.28 1qgb s ASN 41 Ca 0.00 0.08 -0.22 0.00 -1.02 0.00 0.00 52.86 51.71 1qgb s ASN 41 Cb 0.00 0.33 -0.14 0.00 0.02 0.00 0.00 41.25 41.46 1qgb s ASN 41 CO 0.00 -0.38 0.33 0.00 0.02 0.00 0.00 177.10 177.07 1qgb n ALA 42 N 1.54 -2.60 -3.14 0.60 0.00 -1.26 -0.82 120.51 114.84 1qgb n ALA 42 Ca -0.21 0.29 0.05 0.00 0.00 0.00 0.00 53.44 53.57 1qgb n ALA 42 Cb 0.56 -1.30 -0.00 0.00 0.00 0.00 0.00 19.45 18.71 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 2.80 -0.82 0.67 0.00 2.96 0.14 -4.30 118.68 120.14 1qgb s LEU 43 Ca 0.52 0.07 -0.11 0.00 -0.22 0.00 0.00 54.13 54.38 1qgb s LEU 43 Cb -0.70 1.49 -0.01 0.00 0.50 0.00 0.00 46.19 47.48 1qgb s LEU 43 CO 0.48 -0.15 1.05 -0.69 -1.32 0.00 0.00 176.35 175.72 1qgb s VAL 44 N 2.85 4.15 0.00 1.68 1.01 0.69 0.10 120.40 130.88 1qgb s VAL 44 Ca 0.21 0.72 -0.01 0.00 0.00 0.00 0.00 61.98 62.91 1qgb s VAL 44 Cb -0.04 -3.49 -0.01 0.00 0.00 0.00 0.00 36.38 32.84 1qgb s VAL 44 CO -0.23 -0.88 0.01 0.00 0.00 0.00 0.00 175.10 174.00 1qgb s THR 46 N -0.70 1.02 0.17 0.00 2.01 -1.25 -1.05 115.64 115.84 1qgb s THR 46 Ca -0.08 -0.33 -0.29 0.00 0.31 0.00 0.00 61.69 61.30 1qgb s THR 46 Cb -0.05 -1.01 -0.07 0.00 0.01 0.00 0.00 72.50 71.38 1qgb s THR 46 CO -0.00 0.35 0.92 0.00 -0.69 0.00 0.00 174.62 175.21 1qgb n TYR 48 N 2.08 0.00 0.00 0.00 4.02 0.18 -1.28 117.16 122.16 1qgb n TYR 48 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 1qgb n TYR 48 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.80 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 0.40 0.87 0.02 2.72 0.00 -1.24 -4.56 105.19 103.40 1qgb n GLY 49 Ca 0.02 -2.02 0.13 0.00 0.00 0.00 0.00 46.02 44.14 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 -0.63 -1.41 0.28 -0.02 0.00 -1.26 -2.56 105.19 99.58 1qgb n GLY 50 Ca 0.00 -0.21 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.66 2.11 0.13 1.61 2.88 -1.26 -4.62 113.62 112.82 1qgb n SER 51 Ca 0.06 0.04 -0.01 0.00 -1.33 0.00 0.00 58.87 57.62 1qgb n SER 51 Cb 0.36 -0.31 0.16 0.00 -0.75 0.00 0.00 64.21 63.67 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 -0.23 0.00 0.00 -1.46 3.08 -1.80 -3.49 114.38 110.48 1qgb h ARG 52 Ca -0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.72 1qgb h ARG 52 Cb 1.41 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.46 1qgb h ARG 52 CO -0.12 0.63 0.00 0.41 -1.07 0.00 0.00 179.97 179.81 1qgb n GLY 53 N 0.39 -0.62 3.10 0.04 0.00 -1.06 -4.85 105.19 102.19 1qgb n GLY 53 Ca -0.01 -1.13 -0.15 0.00 0.00 0.00 0.00 46.02 44.74 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 0.87 -0.30 1.61 -0.12 -1.26 0.49 117.98 119.27 1qgb s PHE 54 Ca 0.00 -0.49 0.03 0.00 -0.05 0.00 0.00 56.93 56.43 1qgb s PHE 54 Cb 0.00 -0.50 0.08 0.00 -0.63 0.00 0.00 43.02 41.97 1qgb s PHE 54 CO 0.00 -0.03 -0.02 -0.80 -0.05 0.00 0.00 175.22 174.32 1qgb s ASN 55 N -1.64 4.59 0.90 1.98 0.01 -1.12 -4.91 114.94 114.75 1qgb s ASN 55 Ca -0.07 -1.81 -0.11 0.00 -0.71 0.00 0.00 52.86 50.16 1qgb s ASN 55 Cb -0.10 -1.57 0.13 0.00 0.41 0.00 0.00 41.25 40.13 1qgb s ASN 55 CO 0.01 -0.30 1.09 0.00 -1.51 0.00 0.00 177.10 176.39 1qgb s GLU 57 N -4.84 0.60 0.47 0.00 2.02 0.49 -4.93 118.70 112.50 1qgb s GLU 57 Ca 0.64 0.55 -0.23 0.00 0.02 0.00 0.00 54.97 55.96 1qgb s GLU 57 Cb -0.19 0.29 -0.07 0.00 0.10 0.00 0.00 34.13 34.25 1qgb s GLU 57 CO 0.58 -0.10 1.17 -1.12 0.02 0.00 0.00 175.26 175.81 1qgb s SER 58 N -0.07 6.12 -0.70 -0.19 0.01 -1.26 0.25 113.70 117.86 1qgb s SER 58 Ca 0.01 2.32 -0.29 0.00 1.31 0.00 0.00 55.95 59.30 1qgb s SER 58 Cb -0.04 -2.60 -0.17 0.00 0.21 0.00 0.00 66.02 63.41 1qgb s SER 58 CO -0.03 -0.95 2.09 1.17 0.41 0.00 0.00 173.24 175.93 1qgb n LYS 59 N -0.53 0.00 -1.53 12.44 0.00 -1.26 -4.77 118.16 122.50 1qgb n LYS 59 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 58.31 57.97 1qgb n LYS 59 Cb 0.48 -1.24 0.01 0.00 0.00 0.00 0.00 35.03 34.28 1qgb n LYS 59 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 1qgb n PRO 60 N 6.78 0.92 -2.76 1.64 -0.02 -1.26 -4.96 135.00 135.34 1qgb n PRO 60 Ca 0.52 0.34 -0.09 0.00 -2.02 0.00 0.00 63.50 62.24 1qgb n PRO 60 Cb 0.01 -1.79 0.08 0.00 -0.02 0.00 0.00 33.50 31.78 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 0.25 1.06 -2.47 -0.52 2.13 -1.26 -5.08 120.64 114.75 1qgb n GLU 61 Ca 0.11 -2.09 -0.01 0.00 0.66 0.00 0.00 57.16 55.83 1qgb n GLU 61 Cb 0.40 -0.88 -0.01 0.00 0.27 0.00 0.00 31.44 31.22 1qgb n GLU 61 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1qgb n ALA 62 N 0.12 -1.95 -3.17 4.31 0.00 -1.26 -4.94 120.51 113.61 1qgb n ALA 62 Ca 0.06 0.75 -0.38 0.00 0.00 0.00 0.00 53.44 53.87 1qgb n ALA 62 Cb 0.73 -1.85 -0.12 0.00 0.00 0.00 0.00 19.45 18.21 1qgb n ALA 62 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1qgb s GLU 63 N -0.34 2.87 0.00 0.00 2.12 -1.26 -4.86 118.70 117.23 1qgb s GLU 63 Ca -0.07 -1.01 0.00 0.00 0.36 0.00 0.00 54.97 54.25 1qgb s GLU 63 Cb 0.00 -3.43 0.00 0.00 0.26 0.00 0.00 34.13 30.96 1qgb s GLU 63 CO 0.19 -0.56 0.00 0.39 -0.54 0.00 0.00 175.26 174.74 1qgb n GLU 64 N 4.85 0.00 0.00 4.30 1.02 -1.26 -4.95 120.64 124.60 1qgb n GLU 64 Ca -0.13 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.01 1qgb n GLU 64 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.88 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 0.00 0.00 -2.45 2.62 -2.24 -1.26 -4.59 114.28 106.35 1qgb n THR 65 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1qgb n THR 65 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1qgb n THR 65 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qgb n PHE 67 N 0.00 -0.07 -2.20 0.00 7.35 -1.25 -4.55 117.46 116.74 1qgb n PHE 67 Ca 0.00 0.00 -0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1qgb n PHE 67 Cb 0.00 0.02 0.00 0.00 0.35 0.00 0.00 39.48 39.85 1qgb n PHE 67 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1qgb n ASP 68 N -1.53 -4.61 -0.52 -2.13 2.03 -1.26 0.15 116.55 108.68 1qgb n ASP 68 Ca 0.00 -0.03 0.44 0.00 0.52 0.00 0.00 54.79 55.72 1qgb n ASP 68 Cb 0.00 -2.94 0.76 0.00 -0.72 0.00 0.00 41.12 38.22 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 0.21 0.00 -0.05 -0.67 2.10 -1.96 2.14 116.57 118.34 1qgb h LYS 69 Ca 0.00 0.00 0.04 0.00 -2.00 0.00 0.00 60.65 58.69 1qgb h LYS 69 Cb 1.00 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.27 1qgb h LYS 69 CO 0.13 0.00 -0.27 1.88 -2.00 0.00 0.00 179.45 179.20 1qgb h TYR 70 N 0.00 -0.72 0.00 0.07 -1.99 -2.02 -3.38 116.97 108.94 1qgb h TYR 70 Ca 0.76 0.03 -0.00 0.00 2.00 0.00 0.00 58.73 61.51 1qgb h TYR 70 Cb 3.15 0.33 -0.00 0.00 2.00 0.00 0.00 36.73 42.20 1qgb h TYR 70 CO 0.00 -0.36 -1.00 2.41 -0.00 0.00 0.00 178.16 179.21 1qgb n THR 71 N -5.38 0.00 -0.23 -2.88 -1.04 0.52 -5.07 114.28 100.20 1qgb n THR 71 Ca -0.04 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 1qgb n THR 71 Cb 0.30 -0.68 0.00 0.00 -1.82 0.00 0.00 70.33 68.13 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 3.32 0.61 1.03 3.41 0.00 0.69 -5.05 105.19 109.20 1qgb n GLY 72 Ca -0.00 -0.06 -0.06 0.00 0.00 0.00 0.00 46.02 45.91 1qgb n GLY 72 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qgb n ASN 73 N -0.05 0.47 -4.09 1.61 5.03 0.39 -4.91 115.26 113.71 1qgb n ASN 73 Ca 0.00 -1.36 -0.32 0.00 0.87 0.00 0.00 54.58 53.77 1qgb n ASN 73 Cb 0.06 -0.14 -0.16 0.00 -1.02 0.00 0.00 39.78 38.52 1qgb n ASN 73 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1qgb s THR 74 N -0.24 2.00 0.02 3.41 2.01 -1.26 -3.77 115.64 117.80 1qgb s THR 74 Ca 0.17 -1.03 0.01 0.00 0.31 0.00 0.00 61.69 61.16 1qgb s THR 74 Cb -0.01 -1.88 -0.01 0.00 0.01 0.00 0.00 72.50 70.61 1qgb s THR 74 CO 0.11 0.41 -0.05 -0.31 -0.69 0.00 0.00 174.62 174.09 1qgb s TYR 75 N 1.29 0.47 0.65 4.92 2.02 -1.26 -4.99 117.35 120.44 1qgb s TYR 75 Ca 0.02 -0.28 -0.08 0.00 -0.37 0.00 0.00 57.07 56.36 1qgb s TYR 75 Cb -0.14 -0.29 0.02 0.00 -0.40 0.00 0.00 41.96 41.14 1qgb s TYR 75 CO -0.11 -0.05 1.00 0.50 -1.57 0.00 0.00 175.55 175.31 1qgb s ARG 76 N -0.79 2.82 0.35 -0.62 3.52 -1.26 -0.06 118.95 122.90 1qgb s ARG 76 Ca -0.05 0.17 0.24 0.00 -0.13 0.00 0.00 55.73 55.96 1qgb s ARG 76 Cb -0.06 -2.16 0.43 0.00 -1.56 0.00 0.00 34.95 31.61 1qgb s ARG 76 CO -0.00 -0.90 1.60 -0.24 -0.81 0.00 0.00 175.30 174.95 1qgb h VAL 77 N -0.42 0.00 -1.28 7.11 3.04 -1.81 -3.31 116.25 119.58 1qgb h VAL 77 Ca -0.45 -0.85 -0.70 0.00 -1.01 0.00 0.00 66.70 63.69 1qgb h VAL 77 Cb 1.26 1.79 -0.29 0.00 -2.01 0.00 0.00 31.29 32.04 1qgb h VAL 77 CO 0.62 0.00 0.86 0.61 -1.01 0.00 0.00 177.57 178.65 1qgb n GLY 78 N 1.17 5.80 3.64 3.17 0.00 -1.26 -4.75 105.19 112.95 1qgb n GLY 78 Ca 0.04 -2.38 -0.07 0.00 0.00 0.00 0.00 46.02 43.62 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 -1.70 -0.70 0.43 1.61 -1.08 -1.25 -5.16 116.67 108.82 1qgb s ASP 79 Ca 0.61 1.18 0.01 0.00 -0.52 0.00 0.00 52.55 53.82 1qgb s ASP 79 Cb 0.49 1.26 -0.01 0.00 -1.46 0.00 0.00 42.92 43.20 1qgb s ASP 79 CO -0.13 -0.19 0.65 0.42 0.52 0.00 0.00 175.17 176.44 1qgb s THR 80 N 1.13 4.19 -0.30 1.71 -4.23 -1.26 -4.06 115.64 112.82 1qgb s THR 80 Ca -0.06 -0.50 -0.02 0.00 -1.18 0.00 0.00 61.69 59.93 1qgb s THR 80 Cb -0.05 -3.54 0.19 0.00 1.34 0.00 0.00 72.50 70.44 1qgb s THR 80 CO -0.13 -0.37 0.63 -0.72 -0.54 0.00 0.00 174.62 173.48 1qgb s TYR 81 N -2.51 -1.54 0.95 3.99 1.13 -1.10 -5.00 117.35 113.28 1qgb s TYR 81 Ca 0.47 1.71 -0.12 0.00 -1.41 0.00 0.00 57.07 57.72 1qgb s TYR 81 Cb -0.10 0.57 0.09 0.00 -1.10 0.00 0.00 41.96 41.42 1qgb s TYR 81 CO 0.37 -0.84 0.70 0.39 -2.51 0.00 0.00 175.55 173.66 1qgb n GLU 82 N 5.43 -0.45 -3.36 -3.49 4.71 -1.26 -3.90 120.64 118.31 1qgb n GLU 82 Ca -0.02 -0.08 -0.15 0.00 -0.01 0.00 0.00 57.16 56.90 1qgb n GLU 82 Cb 0.51 -2.06 -0.08 0.00 -1.01 0.00 0.00 31.44 28.80 1qgb n GLU 82 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 1qgb s ARG 83 N -4.04 0.46 -0.17 3.49 1.81 -1.18 -4.84 118.95 114.48 1qgb s ARG 83 Ca 0.61 -0.32 -0.29 0.00 -1.72 0.00 0.00 55.73 54.01 1qgb s ARG 83 Cb -0.22 -0.58 -0.04 0.00 -0.45 0.00 0.00 34.95 33.66 1qgb s ARG 83 CO 0.64 -1.09 1.81 -1.25 -0.68 0.00 0.00 175.30 174.73 1qgb s PRO 84 N 2.08 3.72 -0.17 3.54 0.04 -1.26 -4.35 135.00 138.61 1qgb s PRO 84 Ca 0.12 1.93 -0.04 0.00 0.04 0.00 0.00 61.00 63.04 1qgb s PRO 84 Cb -0.14 -4.13 0.07 0.00 0.04 0.00 0.00 34.50 30.34 1qgb s PRO 84 CO -0.22 -1.40 0.13 0.21 0.04 0.00 0.00 177.00 175.76 1qgb s LYS 85 N 4.99 0.09 2.02 4.56 2.20 -1.25 -5.09 119.74 127.25 1qgb s LYS 85 Ca 0.81 0.06 0.00 0.00 -0.36 0.00 0.00 55.97 56.48 1qgb s LYS 85 Cb -0.30 -1.49 0.00 0.00 -1.51 0.00 0.00 37.83 34.53 1qgb s LYS 85 CO 0.33 -0.63 0.00 -3.47 -0.36 0.00 0.00 175.35 171.22 1qgb n ASP 86 N 5.29 0.00 -1.06 1.43 2.03 -1.26 -3.84 116.55 119.15 1qgb n ASP 86 Ca -0.06 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.29 1qgb n ASP 86 Cb 0.49 0.00 0.19 0.00 -0.72 0.00 0.00 41.12 41.08 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 0.08 2.99 -3.96 1.67 2.88 -1.26 -4.80 113.62 111.22 1qgb n SER 87 Ca 0.00 -2.34 -0.22 0.00 -1.33 0.00 0.00 58.87 54.98 1qgb n SER 87 Cb 0.00 -0.50 -0.16 0.00 -0.75 0.00 0.00 64.21 62.80 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 -1.78 1.26 0.01 -1.46 0.00 -1.25 -5.14 119.30 110.94 1qgb s MET 88 Ca 0.26 -0.26 -0.16 0.00 0.00 0.00 0.00 55.69 55.54 1qgb s MET 88 Cb 0.19 -1.12 -0.06 0.00 0.00 0.00 0.00 34.83 33.84 1qgb s MET 88 CO 0.10 -0.03 0.46 0.42 0.00 0.00 0.00 175.02 175.97 1qgb s ILE 89 N 0.80 4.95 0.05 10.11 1.09 -1.26 -3.96 121.20 132.98 1qgb s ILE 89 Ca -0.13 0.96 0.02 0.00 -1.10 0.00 0.00 60.65 60.40 1qgb s ILE 89 Cb -0.15 -3.77 -0.03 0.00 -1.06 0.00 0.00 42.46 37.45 1qgb s ILE 89 CO 0.02 0.56 -0.07 0.26 -0.10 0.00 0.00 174.94 175.60 1qgb s TRP 90 N -0.97 0.68 -0.82 3.97 0.52 -1.26 -2.96 118.94 118.10 1qgb s TRP 90 Ca 0.25 -0.60 -0.09 0.00 0.02 0.00 0.00 56.10 55.69 1qgb s TRP 90 Cb -0.17 -0.41 0.21 0.00 -1.15 0.00 0.00 33.47 31.95 1qgb s TRP 90 CO 0.15 -0.11 0.72 -0.51 0.02 0.00 0.00 176.95 177.22 1qgb s ASP 91 N -1.89 6.30 0.35 2.95 1.11 -0.12 -3.10 116.67 122.27 1qgb s ASP 91 Ca -0.06 -2.99 -0.28 0.00 0.18 0.00 0.00 52.55 49.40 1qgb s ASP 91 Cb -0.07 -2.07 -0.10 0.00 1.07 0.00 0.00 42.92 41.76 1qgb s ASP 91 CO -0.01 -0.43 1.29 0.00 1.18 0.00 0.00 175.17 177.20 1qgb s THR 93 N -1.18 1.63 -0.23 0.00 2.01 0.01 -2.70 115.64 115.19 1qgb s THR 93 Ca 0.51 -0.70 -0.27 0.00 0.31 0.00 0.00 61.69 61.53 1qgb s THR 93 Cb -0.39 -1.50 -0.30 0.00 0.01 0.00 0.00 72.50 70.32 1qgb s THR 93 CO 0.51 0.47 1.68 0.00 -0.69 0.00 0.00 174.62 176.58 1qgb n ILE 95 N 6.64 3.13 0.00 0.00 5.41 -1.26 -4.32 119.36 128.97 1qgb n ILE 95 Ca 0.47 -2.48 0.00 0.00 1.00 0.00 0.00 62.75 61.73 1qgb n ILE 95 Cb 0.40 -1.54 0.00 0.00 -0.71 0.00 0.00 39.64 37.79 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 0.82 -2.97 5.07 7.39 0.00 -1.26 -2.29 105.19 111.95 1qgb n GLY 96 Ca 0.43 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.70 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 -1.06 0.00 0.14 4.61 0.00 -1.26 -2.24 120.51 120.70 1qgb n ALA 97 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1qgb n ALA 97 Cb 0.00 0.00 0.20 0.00 0.00 0.00 0.00 19.45 19.65 1qgb n ALA 97 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1qgb h GLY 98 N 0.00 0.06 0.00 0.00 0.00 -1.98 -3.43 103.07 97.72 1qgb h GLY 98 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1qgb h GLY 98 CO 0.00 0.06 0.00 -2.13 0.00 0.00 0.00 176.54 174.47 1qgb n ARG 99 N -3.89 0.00 -3.01 4.80 0.63 -0.95 -5.03 116.66 109.21 1qgb n ARG 99 Ca -0.01 0.00 0.02 0.00 -0.92 0.00 0.00 57.85 56.93 1qgb n ARG 99 Cb 0.57 0.00 -0.00 0.00 0.45 0.00 0.00 32.46 33.47 1qgb n ARG 99 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1qgb s GLY 100 N -1.23 -1.37 -0.53 5.14 0.00 -1.24 -4.66 107.32 103.42 1qgb s GLY 100 Ca 0.00 0.84 0.02 0.00 0.00 0.00 0.00 44.72 45.58 1qgb s GLY 100 CO 0.00 3.98 1.64 -2.13 0.00 0.00 0.00 173.10 176.59 1qgb n ARG 101 N 4.18 3.11 -1.53 2.90 0.63 -0.97 -4.90 116.66 120.08 1qgb n ARG 101 Ca 0.08 -3.76 -0.29 0.00 -0.92 0.00 0.00 57.85 52.96 1qgb n ARG 101 Cb 0.60 -2.28 -0.10 0.00 0.45 0.00 0.00 32.46 31.13 1qgb n ARG 101 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 1qgb n ILE 102 N -0.75 -0.03 -2.99 5.15 -0.00 -1.26 -4.15 119.36 115.33 1qgb n ILE 102 Ca 0.53 -0.50 -0.41 0.00 -0.00 0.00 0.00 62.75 62.36 1qgb n ILE 102 Cb 0.72 -1.67 -0.05 0.00 -0.00 0.00 0.00 39.64 38.64 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 9.35 6.84 -0.37 4.38 0.15 -1.12 -4.77 113.70 128.15 1qgb s SER 103 Ca 1.10 1.02 -0.00 0.00 0.70 0.00 0.00 55.95 58.78 1qgb s SER 103 Cb -0.50 -2.41 0.10 0.00 -1.71 0.00 0.00 66.02 61.50 1qgb s SER 103 CO 0.31 -0.34 0.12 0.00 1.20 0.00 0.00 173.24 174.53 1qgb s THR 105 N 1.06 3.62 0.50 0.00 -1.32 -1.25 -4.80 115.64 113.46 1qgb s THR 105 Ca 0.08 -0.65 -0.19 0.00 -1.21 0.00 0.00 61.69 59.72 1qgb s THR 105 Cb -0.21 -2.52 -0.12 0.00 -1.51 0.00 0.00 72.50 68.13 1qgb s THR 105 CO -0.05 0.49 0.23 -0.38 -2.21 0.00 0.00 174.62 172.70 1qgb n ILE 106 N 1.89 1.15 -1.57 5.08 -0.00 -1.26 -0.94 119.36 123.71 1qgb n ILE 106 Ca -0.17 -0.50 -0.45 0.00 -0.00 0.00 0.00 62.75 61.64 1qgb n ILE 106 Cb 0.53 -0.33 -0.02 0.00 -0.00 0.00 0.00 39.64 39.82 1qgb n ILE 106 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1qgb n ALA 107 N -1.43 -0.46 0.07 -1.39 0.00 -1.15 -4.65 120.51 111.49 1qgb n ALA 107 Ca 0.10 0.40 -0.03 0.00 0.00 0.00 0.00 53.44 53.91 1qgb n ALA 107 Cb 0.45 -1.98 0.22 0.00 0.00 0.00 0.00 19.45 18.14 1qgb n ALA 107 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1qgb h ASN 108 N 1.92 0.34 0.00 0.00 -1.24 -1.96 -3.51 115.58 111.14 1qgb h ASN 108 Ca -0.39 -0.13 0.00 0.00 0.71 0.00 0.00 56.30 56.49 1qgb h ASN 108 Cb 1.35 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 40.31 1qgb h ASN 108 CO 0.60 0.67 0.00 -2.11 -1.29 0.00 0.00 177.43 175.30