#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 3.18 -0.13 -1.46 -0.14 -1.26 -5.06 119.74 114.87 1qgb s LYS 18 Ca 0.00 -3.19 -0.29 0.00 -1.36 0.00 0.00 55.97 51.12 1qgb s LYS 18 Cb 0.00 -3.92 -0.01 0.00 -1.68 0.00 0.00 37.83 32.22 1qgb s LYS 18 CO 0.00 -1.26 1.04 -1.25 -0.76 0.00 0.00 175.35 173.13 1qgb s PRO 19 N -1.20 4.38 0.00 -1.68 0.04 -1.26 -4.70 135.00 130.58 1qgb s PRO 19 Ca 0.26 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.73 1qgb s PRO 19 Cb -0.09 -3.57 0.00 0.00 0.04 0.00 0.00 34.50 30.88 1qgb s PRO 19 CO -0.12 -0.40 0.00 0.41 0.04 0.00 0.00 177.00 176.93 1qgb n GLY 20 N 3.18 2.66 3.10 0.56 0.00 -1.26 -4.88 105.19 108.55 1qgb n GLY 20 Ca 0.10 -2.12 -0.33 0.00 0.00 0.00 0.00 46.02 43.67 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 1.14 3.21 0.02 0.00 5.04 -1.26 -2.30 117.35 123.21 1qgb s TYR 22 Ca -0.08 0.08 -0.27 0.00 -2.44 0.00 0.00 57.07 54.36 1qgb s TYR 22 Cb -0.20 -2.66 0.07 0.00 0.35 0.00 0.00 41.96 39.51 1qgb s TYR 22 CO -0.04 -0.39 0.63 0.34 -1.34 0.00 0.00 175.55 174.74 1qgb s ASP 23 N 1.72 -0.59 -1.44 4.32 -1.08 0.64 -4.93 116.67 115.31 1qgb s ASP 23 Ca 0.13 0.42 -0.04 0.00 -0.52 0.00 0.00 52.55 52.54 1qgb s ASP 23 Cb -0.16 0.54 0.02 0.00 -1.46 0.00 0.00 42.92 41.86 1qgb s ASP 23 CO 0.11 -0.72 0.39 -3.20 0.52 0.00 0.00 175.17 172.27 1qgb n ASN 24 N 0.48 -5.13 -0.26 -0.34 2.85 -1.26 -0.23 115.26 111.37 1qgb n ASN 24 Ca -0.18 -0.20 -0.03 0.00 -0.11 0.00 0.00 54.58 54.06 1qgb n ASN 24 Cb 0.60 -4.21 -0.01 0.00 1.24 0.00 0.00 39.78 37.39 1qgb n ASN 24 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1qgb n GLY 25 N -1.25 0.52 3.25 8.20 0.00 -1.26 -4.98 105.19 109.67 1qgb n GLY 25 Ca -0.11 -0.13 -0.28 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 -1.68 1.76 -0.54 1.61 3.01 0.68 -5.10 119.74 119.47 1qgb s LYS 26 Ca 0.00 -0.81 0.00 0.00 -1.01 0.00 0.00 55.97 54.15 1qgb s LYS 26 Cb 0.00 -1.72 0.14 0.00 -1.01 0.00 0.00 37.83 35.24 1qgb s LYS 26 CO 0.00 0.47 0.32 -1.58 0.51 0.00 0.00 175.35 175.07 1qgb s HIS 27 N -0.55 3.36 0.90 3.18 2.46 -1.26 -0.26 115.29 123.12 1qgb s HIS 27 Ca 0.09 -2.90 -0.14 0.00 0.47 0.00 0.00 55.06 52.57 1qgb s HIS 27 Cb -0.09 -3.03 0.20 0.00 -0.13 0.00 0.00 32.58 29.54 1qgb s HIS 27 CO -0.01 -0.82 1.22 0.66 -2.47 0.00 0.00 174.74 173.33 1qgb n TYR 28 N 3.49 -3.90 -4.39 3.88 4.01 -0.97 -4.91 117.16 114.36 1qgb n TYR 28 Ca 0.06 -1.16 -0.32 0.00 -0.16 0.00 0.00 57.90 56.32 1qgb n TYR 28 Cb 0.36 -0.94 -0.10 0.00 -0.31 0.00 0.00 39.34 38.35 1qgb n TYR 28 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 1qgb s GLN 29 N -5.66 2.56 0.46 -0.72 -1.52 -1.26 -3.07 119.66 110.45 1qgb s GLN 29 Ca 0.70 -0.73 -0.20 0.00 -1.95 0.00 0.00 55.36 53.18 1qgb s GLN 29 Cb -0.02 -2.52 -0.15 0.00 -0.22 0.00 0.00 33.01 30.11 1qgb s GLN 29 CO 0.49 0.59 0.08 -0.89 -0.25 0.00 0.00 175.29 175.31 1qgb n ILE 30 N 1.40 0.61 -1.12 1.08 -0.00 -1.26 -0.75 119.36 119.32 1qgb n ILE 30 Ca -0.15 -0.50 -0.04 0.00 -0.00 0.00 0.00 62.75 62.06 1qgb n ILE 30 Cb 0.52 -0.10 -0.02 0.00 -0.00 0.00 0.00 39.64 40.05 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 2.17 -4.91 -4.91 4.38 3.02 -0.98 -4.97 115.26 109.06 1qgb n ASN 31 Ca 0.10 0.10 -0.25 0.00 -0.03 0.00 0.00 54.58 54.50 1qgb n ASN 31 Cb 0.43 -2.77 -0.04 0.00 -0.61 0.00 0.00 39.78 36.79 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 -1.88 3.28 0.26 3.52 0.74 0.07 -4.87 119.66 120.78 1qgb s GLN 32 Ca 0.00 -0.70 0.12 0.00 0.05 0.00 0.00 55.36 54.83 1qgb s GLN 32 Cb 0.00 -2.86 -0.05 0.00 1.10 0.00 0.00 33.01 31.20 1qgb s GLN 32 CO 0.00 0.50 -0.19 -0.65 -0.55 0.00 0.00 175.29 174.40 1qgb s GLN 33 N -3.30 1.71 0.29 1.67 -0.21 -1.26 -0.21 119.66 118.34 1qgb s GLN 33 Ca 0.33 -1.69 -0.19 0.00 0.02 0.00 0.00 55.36 53.83 1qgb s GLN 33 Cb -0.10 -1.82 0.06 0.00 1.00 0.00 0.00 33.01 32.14 1qgb s GLN 33 CO 0.27 0.35 0.86 1.67 -2.12 0.00 0.00 175.29 176.32 1qgb s TRP 34 N -2.33 0.02 -0.32 0.91 -2.14 -0.98 -4.99 118.94 109.12 1qgb s TRP 34 Ca 0.28 -0.54 -0.08 0.00 2.66 0.00 0.00 56.10 58.42 1qgb s TRP 34 Cb -0.06 0.76 0.01 0.00 -3.10 0.00 0.00 33.47 31.08 1qgb s TRP 34 CO 0.14 -1.25 0.12 -1.21 -2.66 0.00 0.00 176.95 172.09 1qgb s GLU 35 N -2.69 3.04 0.62 3.25 8.01 -1.26 -1.09 118.70 128.58 1qgb s GLU 35 Ca 0.16 -0.90 0.06 0.00 0.01 0.00 0.00 54.97 54.30 1qgb s GLU 35 Cb -0.04 -3.47 0.10 0.00 -4.31 0.00 0.00 34.13 26.40 1qgb s GLU 35 CO 0.08 -0.50 0.85 0.50 0.01 0.00 0.00 175.26 176.20 1qgb s ARG 36 N 1.52 2.11 -0.09 1.61 3.00 0.71 -4.86 118.95 122.95 1qgb s ARG 36 Ca 0.02 -1.47 -0.09 0.00 -1.00 0.00 0.00 55.73 53.19 1qgb s ARG 36 Cb -0.18 -2.55 0.03 0.00 0.00 0.00 0.00 34.95 32.25 1qgb s ARG 36 CO 0.04 -1.04 0.26 0.99 0.00 0.00 0.00 175.30 175.56 1qgb s THR 37 N -2.81 0.00 -0.27 4.11 2.01 -1.26 0.18 115.64 117.61 1qgb s THR 37 Ca 0.63 -0.03 -0.25 0.00 0.31 0.00 0.00 61.69 62.35 1qgb s THR 37 Cb -0.06 -0.39 0.07 0.00 0.01 0.00 0.00 72.50 72.14 1qgb s THR 37 CO 0.41 -0.02 0.72 -0.47 -0.69 0.00 0.00 174.62 174.57 1qgb s TYR 38 N 0.05 -0.78 -1.75 4.92 6.14 -0.59 -4.91 117.35 120.43 1qgb s TYR 38 Ca -0.01 1.91 0.00 0.00 0.64 0.00 0.00 57.07 59.61 1qgb s TYR 38 Cb -0.02 0.27 0.00 0.00 0.42 0.00 0.00 41.96 42.63 1qgb s TYR 38 CO 0.01 -0.38 0.00 -0.11 0.64 0.00 0.00 175.55 175.71 1qgb n LEU 39 N 2.67 -1.44 -0.73 6.97 7.94 -1.26 -1.02 117.00 130.14 1qgb n LEU 39 Ca -0.14 0.29 -0.05 0.00 -1.11 0.00 0.00 56.01 55.01 1qgb n LEU 39 Cb 0.55 -2.58 0.00 0.00 0.53 0.00 0.00 43.42 41.93 1qgb n LEU 39 CO 0.03 -0.65 -0.03 0.61 -1.11 0.00 0.00 177.39 176.25 1qgb n GLY 40 N -0.57 0.30 3.04 -3.96 0.00 -1.26 -5.05 105.19 97.69 1qgb n GLY 40 Ca -0.19 -0.63 -0.13 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.87 0.76 0.17 1.61 0.01 -0.19 -5.13 114.94 109.30 1qgb s ASN 41 Ca 0.04 -0.47 -0.30 0.00 -0.71 0.00 0.00 52.86 51.42 1qgb s ASN 41 Cb -0.02 0.03 -0.08 0.00 0.41 0.00 0.00 41.25 41.59 1qgb s ASN 41 CO 0.05 -0.17 1.25 0.00 -1.51 0.00 0.00 177.10 176.72 1qgb s ALA 42 N -1.18 3.47 0.13 0.60 0.00 -1.26 -1.54 121.76 121.98 1qgb s ALA 42 Ca -0.09 1.00 0.08 0.00 0.00 0.00 0.00 51.96 52.95 1qgb s ALA 42 Cb -0.09 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.55 1qgb s ALA 42 CO 0.00 -0.45 -0.18 -0.51 0.00 0.00 0.00 175.76 174.63 1qgb s LEU 43 N 0.07 2.38 -0.18 0.00 1.02 0.48 -2.52 118.68 119.93 1qgb s LEU 43 Ca 0.56 -0.79 -0.02 0.00 0.02 0.00 0.00 54.13 53.90 1qgb s LEU 43 Cb -0.34 -0.76 -0.01 0.00 0.02 0.00 0.00 46.19 45.11 1qgb s LEU 43 CO 0.36 -0.04 -0.08 -0.69 0.02 0.00 0.00 176.35 175.91 1qgb s VAL 44 N -1.78 3.21 0.29 -1.59 1.01 -0.38 0.26 120.40 121.42 1qgb s VAL 44 Ca 0.10 -0.57 0.09 0.00 0.00 0.00 0.00 61.98 61.61 1qgb s VAL 44 Cb -0.07 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.85 1qgb s VAL 44 CO 0.05 0.47 0.02 0.00 0.00 0.00 0.00 175.10 175.64 1qgb s THR 46 N -2.38 -0.62 0.46 0.00 2.01 -1.10 -2.31 115.64 111.71 1qgb s THR 46 Ca 0.33 -0.07 -0.24 0.00 0.31 0.00 0.00 61.69 62.02 1qgb s THR 46 Cb -0.05 -0.82 -0.07 0.00 0.01 0.00 0.00 72.50 71.57 1qgb s THR 46 CO 0.20 -0.12 1.24 0.00 -0.69 0.00 0.00 174.62 175.25 1qgb n TYR 48 N -0.40 0.00 0.00 0.00 4.02 -1.26 -2.32 117.16 117.20 1qgb n TYR 48 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.96 1qgb n TYR 48 Cb 0.46 -0.23 0.00 0.00 -0.02 0.00 0.00 39.34 39.55 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 3.07 0.00 3.95 2.72 0.00 -1.26 -4.39 105.19 109.28 1qgb n GLY 49 Ca -0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.64 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 0.00 -0.29 2.18 -0.02 0.00 -1.26 -4.72 105.19 101.08 1qgb n GLY 50 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.93 -3.24 0.00 1.61 3.41 -1.26 -4.89 113.62 106.32 1qgb n SER 51 Ca -0.22 0.77 0.11 0.00 -0.26 0.00 0.00 58.87 59.28 1qgb n SER 51 Cb 0.64 3.07 0.67 0.00 -0.26 0.00 0.00 64.21 68.33 1qgb n SER 51 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1qgb n ARG 52 N -3.39 0.80 -2.03 4.33 1.74 -1.26 -4.97 116.66 111.88 1qgb n ARG 52 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1qgb n ARG 52 Cb 0.00 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 30.00 1qgb n ARG 52 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1qgb n GLY 53 N 0.56 -5.36 3.54 -0.13 0.00 -1.26 -4.65 105.19 97.90 1qgb n GLY 53 Ca 0.17 -0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 1.73 1.25 -2.39 1.61 -1.74 -1.26 -4.82 117.46 111.84 1qgb n PHE 54 Ca 0.00 0.15 -0.40 0.00 -0.56 0.00 0.00 57.45 56.64 1qgb n PHE 54 Cb 0.00 -2.56 -0.04 0.00 1.52 0.00 0.00 39.48 38.40 1qgb n PHE 54 CO 0.00 0.00 0.00 -0.80 -0.56 0.00 0.00 176.76 175.40 1qgb s ASN 55 N 11.46 7.08 0.29 5.98 -0.87 -1.23 -4.68 114.94 132.97 1qgb s ASN 55 Ca 1.04 2.36 -0.03 0.00 -1.57 0.00 0.00 52.86 54.66 1qgb s ASN 55 Cb -0.35 -2.63 -0.01 0.00 -0.02 0.00 0.00 41.25 38.24 1qgb s ASN 55 CO 0.29 -0.28 0.38 0.00 -2.57 0.00 0.00 177.10 174.91 1qgb n GLU 57 N -0.48 0.22 -2.72 0.00 0.28 -1.05 -4.95 120.64 111.93 1qgb n GLU 57 Ca 0.02 -0.54 -0.41 0.00 -0.16 0.00 0.00 57.16 56.07 1qgb n GLU 57 Cb 0.63 0.76 -0.05 0.00 1.43 0.00 0.00 31.44 34.20 1qgb n GLU 57 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 1qgb s SER 58 N -2.08 7.53 -0.51 -1.84 1.04 -1.26 -1.25 113.70 115.33 1qgb s SER 58 Ca 0.11 1.85 -0.34 0.00 0.48 0.00 0.00 55.95 58.05 1qgb s SER 58 Cb -0.01 -2.60 -0.16 0.00 0.10 0.00 0.00 66.02 63.35 1qgb s SER 58 CO 0.02 -0.01 1.89 1.17 0.98 0.00 0.00 173.24 177.28 1qgb n LYS 59 N 2.39 0.00 -0.35 4.02 0.00 -1.05 -4.85 118.16 118.32 1qgb n LYS 59 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 58.31 58.23 1qgb n LYS 59 Cb 0.48 -1.25 0.09 0.00 0.00 0.00 0.00 35.03 34.35 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 6.44 -0.59 0.00 1.64 -0.02 -1.26 -4.98 135.00 136.23 1qgb n PRO 60 Ca 0.48 -0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 1qgb n PRO 60 Cb -0.02 -0.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.53 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 -0.86 0.53 -1.52 -0.52 0.28 -1.26 -5.04 120.64 112.24 1qgb n GLU 61 Ca 0.04 -0.60 -0.35 0.00 -0.16 0.00 0.00 57.16 56.09 1qgb n GLU 61 Cb 0.18 -0.67 -0.12 0.00 1.43 0.00 0.00 31.44 32.25 1qgb n GLU 61 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1qgb n ALA 62 N -0.11 0.54 -0.01 -1.84 0.00 -1.26 -4.67 120.51 113.16 1qgb n ALA 62 Ca 0.00 -0.62 0.08 0.00 0.00 0.00 0.00 53.44 52.90 1qgb n ALA 62 Cb 0.32 -2.62 -0.13 0.00 0.00 0.00 0.00 19.45 17.02 1qgb n ALA 62 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1qgb n GLU 63 N 8.25 0.55 -2.24 0.00 2.13 -1.26 -4.83 120.64 123.24 1qgb n GLU 63 Ca 0.57 -0.14 -0.32 0.00 0.66 0.00 0.00 57.16 57.92 1qgb n GLU 63 Cb 0.21 -1.39 -0.04 0.00 0.27 0.00 0.00 31.44 30.49 1qgb n GLU 63 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1qgb s GLU 64 N -3.11 2.97 0.16 5.31 2.12 -1.26 -4.36 118.70 120.52 1qgb s GLU 64 Ca -0.06 -0.77 -0.23 0.00 0.36 0.00 0.00 54.97 54.26 1qgb s GLU 64 Cb 0.10 -5.21 0.08 0.00 0.26 0.00 0.00 34.13 29.36 1qgb s GLU 64 CO 0.69 -3.02 1.04 -0.08 -0.54 0.00 0.00 175.26 173.35 1qgb s THR 65 N 8.22 0.00 0.00 -1.70 -1.32 -1.26 -4.98 115.64 114.60 1qgb s THR 65 Ca 0.61 -0.57 0.00 0.00 -1.21 0.00 0.00 61.69 60.52 1qgb s THR 65 Cb -0.03 -2.66 0.00 0.00 -1.51 0.00 0.00 72.50 68.30 1qgb s THR 65 CO -0.01 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.40 1qgb n PHE 67 N 0.00 -2.70 -1.50 0.00 -0.00 -1.26 -4.67 117.46 107.33 1qgb n PHE 67 Ca 0.00 1.06 -0.31 0.00 -0.00 0.00 0.00 57.45 58.20 1qgb n PHE 67 Cb 0.00 -3.68 -0.18 0.00 -0.00 0.00 0.00 39.48 35.62 1qgb n PHE 67 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1qgb n ASP 68 N -1.01 -0.39 0.25 -2.13 2.03 -1.15 -4.67 116.55 109.47 1qgb n ASP 68 Ca 0.05 -0.22 0.15 0.00 0.52 0.00 0.00 54.79 55.28 1qgb n ASP 68 Cb 0.44 -0.79 0.78 0.00 -0.72 0.00 0.00 41.12 40.83 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 11.83 0.00 0.45 -0.67 2.10 -1.89 2.07 116.57 130.45 1qgb h LYS 69 Ca -0.01 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.61 1qgb h LYS 69 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 1qgb h LYS 69 CO 1.48 0.00 -0.22 1.88 -2.00 0.00 0.00 179.45 180.59 1qgb h TYR 70 N 0.00 -0.56 -0.11 0.07 -1.99 -1.98 -3.35 116.97 109.05 1qgb h TYR 70 Ca 0.00 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.72 1qgb h TYR 70 Cb 0.25 0.19 0.00 0.00 2.00 0.00 0.00 36.73 39.17 1qgb h TYR 70 CO 0.00 -0.24 0.00 0.25 -0.00 0.00 0.00 178.16 178.17 1qgb n THR 71 N -5.24 0.70 -2.60 -2.88 -2.24 -0.90 -4.98 114.28 96.14 1qgb n THR 71 Ca -0.10 -0.85 -0.21 0.00 -2.27 0.00 0.00 64.05 60.61 1qgb n THR 71 Cb 0.30 0.68 0.00 0.00 -2.10 0.00 0.00 70.33 69.21 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 0.04 -0.51 1.17 3.38 0.00 0.70 -4.98 105.19 104.98 1qgb n GLY 72 Ca 0.04 0.04 -0.08 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.18 0.15 -4.06 1.61 4.13 -1.13 -4.84 115.26 108.95 1qgb n ASN 73 Ca -0.21 -1.21 -0.35 0.00 1.68 0.00 0.00 54.58 54.49 1qgb n ASN 73 Cb 0.67 -0.27 -0.06 0.00 -1.54 0.00 0.00 39.78 38.57 1qgb n ASN 73 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 1qgb n THR 74 N -2.32 3.04 -2.44 3.41 -1.04 -1.26 -2.93 114.28 110.74 1qgb n THR 74 Ca 0.05 -5.15 -0.23 0.00 -2.04 0.00 0.00 64.05 56.68 1qgb n THR 74 Cb 0.18 -2.34 0.05 0.00 -1.82 0.00 0.00 70.33 66.39 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 -1.52 2.91 -0.03 -1.42 1.51 -1.26 -4.94 117.35 112.60 1qgb s TYR 75 Ca 0.28 0.23 0.04 0.00 -1.01 0.00 0.00 57.07 56.61 1qgb s TYR 75 Cb -0.05 -2.94 -0.00 0.00 -0.11 0.00 0.00 41.96 38.86 1qgb s TYR 75 CO -0.11 -1.09 -0.15 1.03 -1.11 0.00 0.00 175.55 174.12 1qgb s ARG 76 N -4.98 1.48 0.59 -0.62 0.52 -1.26 -3.94 118.95 110.74 1qgb s ARG 76 Ca 0.58 -0.51 0.30 0.00 -0.52 0.00 0.00 55.73 55.58 1qgb s ARG 76 Cb -0.11 -1.33 1.37 0.00 0.52 0.00 0.00 34.95 35.41 1qgb s ARG 76 CO 0.41 0.22 1.74 -0.24 0.02 0.00 0.00 175.30 177.45 1qgb h VAL 77 N 5.23 0.28 -0.32 3.52 3.04 -1.65 1.55 116.25 127.91 1qgb h VAL 77 Ca -0.33 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.36 1qgb h VAL 77 Cb 1.17 0.43 0.00 0.00 -2.01 0.00 0.00 31.29 30.88 1qgb h VAL 77 CO 0.48 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.65 1qgb n GLY 78 N -1.61 0.64 3.07 3.17 0.00 -1.26 -4.72 105.19 104.48 1qgb n GLY 78 Ca 0.16 -0.42 -0.28 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.17 2.35 0.09 1.61 -1.08 0.53 -5.12 116.67 113.87 1qgb s ASP 79 Ca 0.27 -0.41 0.02 0.00 -0.52 0.00 0.00 52.55 51.92 1qgb s ASP 79 Cb 0.15 -1.06 -0.04 0.00 -1.46 0.00 0.00 42.92 40.50 1qgb s ASP 79 CO 0.20 0.04 0.14 0.28 0.52 0.00 0.00 175.17 176.35 1qgb s THR 80 N 0.79 4.86 -0.15 1.71 -1.32 -1.26 -3.81 115.64 116.45 1qgb s THR 80 Ca -0.11 -0.67 -0.04 0.00 -1.21 0.00 0.00 61.69 59.66 1qgb s THR 80 Cb -0.16 -3.38 0.06 0.00 -1.51 0.00 0.00 72.50 67.52 1qgb s THR 80 CO 0.02 0.09 0.11 -0.72 -2.21 0.00 0.00 174.62 171.91 1qgb s TYR 81 N -1.49 0.09 0.06 9.09 1.13 -1.08 -4.96 117.35 120.19 1qgb s TYR 81 Ca 0.32 -0.11 -0.23 0.00 -1.41 0.00 0.00 57.07 55.64 1qgb s TYR 81 Cb -0.12 -0.59 -0.06 0.00 -1.10 0.00 0.00 41.96 40.09 1qgb s TYR 81 CO 0.25 -0.46 0.70 -1.83 -2.51 0.00 0.00 175.55 171.70 1qgb s GLU 82 N 2.18 4.43 -0.36 -3.49 -1.05 -1.26 -2.92 118.70 116.22 1qgb s GLU 82 Ca 0.03 0.96 -0.05 0.00 -0.15 0.00 0.00 54.97 55.76 1qgb s GLU 82 Cb -0.15 -3.33 0.06 0.00 -0.44 0.00 0.00 34.13 30.27 1qgb s GLU 82 CO -0.08 0.39 0.14 1.03 0.95 0.00 0.00 175.26 177.69 1qgb s ARG 83 N -0.38 2.46 -0.89 -4.83 0.52 -1.05 -4.89 118.95 109.89 1qgb s ARG 83 Ca 0.35 -1.39 -0.25 0.00 -0.52 0.00 0.00 55.73 53.92 1qgb s ARG 83 Cb -0.20 -3.51 -0.11 0.00 0.52 0.00 0.00 34.95 31.65 1qgb s ARG 83 CO 0.22 -0.81 2.17 -1.25 0.02 0.00 0.00 175.30 175.65 1qgb s PRO 84 N 1.33 1.99 -0.09 3.54 0.04 -1.26 -3.92 135.00 136.62 1qgb s PRO 84 Ca 0.01 -0.02 0.02 0.00 0.04 0.00 0.00 61.00 61.04 1qgb s PRO 84 Cb -0.21 -4.94 0.01 0.00 0.04 0.00 0.00 34.50 29.40 1qgb s PRO 84 CO 0.00 -4.12 -0.14 0.15 0.04 0.00 0.00 177.00 172.94 1qgb s LYS 85 N 7.95 1.99 0.23 4.56 1.02 -1.26 -5.00 119.74 129.23 1qgb s LYS 85 Ca 0.81 -0.48 0.00 0.00 0.02 0.00 0.00 55.97 56.32 1qgb s LYS 85 Cb -0.09 -1.71 0.00 0.00 -0.52 0.00 0.00 37.83 35.52 1qgb s LYS 85 CO 0.06 -0.05 0.00 -0.25 -0.92 0.00 0.00 175.35 174.19 1qgb n ASP 86 N 4.15 -5.29 -2.88 2.83 9.92 -1.26 -3.19 116.55 120.82 1qgb n ASP 86 Ca -0.19 0.43 -0.30 0.00 -0.53 0.00 0.00 54.79 54.19 1qgb n ASP 86 Cb 0.51 -2.74 -0.06 0.00 -0.64 0.00 0.00 41.12 38.19 1qgb n ASP 86 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1qgb n SER 87 N -3.16 7.28 0.00 -2.24 7.64 -1.26 -3.77 113.62 118.11 1qgb n SER 87 Ca -0.00 -2.84 0.00 0.00 1.01 0.00 0.00 58.87 57.04 1qgb n SER 87 Cb 0.41 -1.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.20 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 2.26 0.00 -1.55 1.43 -0.00 -1.26 -5.12 117.12 112.88 1qgb n MET 88 Ca 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 58.30 1qgb n MET 88 Cb 0.46 -0.06 0.00 0.00 -0.00 0.00 0.00 33.22 33.62 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 -2.24 -5.16 -3.71 3.17 5.41 -1.19 -3.64 119.36 112.00 1qgb n ILE 89 Ca 0.00 2.31 -0.16 0.00 1.00 0.00 0.00 62.75 65.90 1qgb n ILE 89 Cb 0.00 -3.16 -0.16 0.00 -0.71 0.00 0.00 39.64 35.61 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 -2.98 -0.12 -1.15 1.39 0.52 -1.25 -1.05 118.94 114.30 1qgb s TRP 90 Ca 0.00 0.47 -0.19 0.00 0.02 0.00 0.00 56.10 56.41 1qgb s TRP 90 Cb 0.00 -0.22 -0.04 0.00 -1.15 0.00 0.00 33.47 32.05 1qgb s TRP 90 CO 0.00 -0.21 2.01 -0.25 0.02 0.00 0.00 176.95 178.52 1qgb n ASP 91 N 4.81 3.44 -4.53 2.95 8.00 -1.04 -2.51 116.55 127.67 1qgb n ASP 91 Ca -0.15 -2.78 -0.36 0.00 0.71 0.00 0.00 54.79 52.22 1qgb n ASP 91 Cb 0.50 -1.49 -0.08 0.00 -0.02 0.00 0.00 41.12 40.04 1qgb n ASP 91 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qgb s THR 93 N 10.89 4.86 -0.88 0.00 2.01 0.20 -2.63 115.64 130.09 1qgb s THR 93 Ca 1.12 1.97 -0.22 0.00 0.31 0.00 0.00 61.69 64.87 1qgb s THR 93 Cb -0.57 -4.28 -0.14 0.00 0.01 0.00 0.00 72.50 67.52 1qgb s THR 93 CO 0.34 0.10 1.92 0.00 -0.69 0.00 0.00 174.62 176.30 1qgb s ILE 95 N 6.43 2.94 0.00 0.00 1.01 -1.26 -4.02 121.20 126.30 1qgb s ILE 95 Ca 0.60 0.62 0.00 0.00 0.00 0.00 0.00 60.65 61.87 1qgb s ILE 95 Cb 0.11 -3.27 0.00 0.00 0.01 0.00 0.00 42.46 39.31 1qgb s ILE 95 CO 0.12 -0.10 0.00 0.61 0.00 0.00 0.00 174.94 175.57 1qgb n GLY 96 N 0.35 0.20 3.76 6.18 0.00 -1.24 -2.88 105.19 111.56 1qgb n GLY 96 Ca 0.11 0.44 -0.29 0.00 0.00 0.00 0.00 46.02 46.28 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 -3.00 -1.16 0.00 4.61 0.00 -1.26 -1.22 120.51 118.48 1qgb n ALA 97 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1qgb n ALA 97 Cb 0.00 -3.26 0.00 0.00 0.00 0.00 0.00 19.45 16.19 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 -1.31 2.67 2.94 0.00 0.00 -1.26 -5.03 105.19 103.20 1qgb n GLY 98 Ca 0.03 -0.96 -0.31 0.00 0.00 0.00 0.00 46.02 44.78 1qgb n GLY 98 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qgb s ARG 99 N 0.00 1.28 -1.08 1.61 0.52 -0.36 -5.04 118.95 115.88 1qgb s ARG 99 Ca 0.00 -1.68 -0.23 0.00 -0.52 0.00 0.00 55.73 53.30 1qgb s ARG 99 Cb 0.00 -2.88 -0.11 0.00 0.52 0.00 0.00 34.95 32.48 1qgb s ARG 99 CO 0.00 -0.96 1.93 0.41 0.02 0.00 0.00 175.30 176.70 1qgb n GLY 100 N 4.38 1.38 2.96 -3.53 0.00 -1.26 -3.59 105.19 105.53 1qgb n GLY 100 Ca 0.02 -0.83 -0.30 0.00 0.00 0.00 0.00 46.02 44.91 1qgb n GLY 100 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1qgb s ARG 101 N 6.10 1.74 0.10 1.61 1.70 -1.14 -4.98 118.95 124.08 1qgb s ARG 101 Ca 0.66 -2.30 -0.31 0.00 -0.47 0.00 0.00 55.73 53.31 1qgb s ARG 101 Cb 0.03 -3.20 -0.10 0.00 -0.57 0.00 0.00 34.95 31.12 1qgb s ARG 101 CO 0.13 -1.05 1.85 0.42 -1.08 0.00 0.00 175.30 175.57 1qgb s ILE 102 N 0.20 2.69 -0.20 4.99 -1.09 -1.26 -4.20 121.20 122.32 1qgb s ILE 102 Ca 0.15 0.08 -0.07 0.00 -2.23 0.00 0.00 60.65 58.58 1qgb s ILE 102 Cb -0.23 -3.05 -0.03 0.00 -1.58 0.00 0.00 42.46 37.57 1qgb s ILE 102 CO -0.03 -0.00 0.04 -0.55 -1.23 0.00 0.00 174.94 173.17 1qgb s SER 103 N 3.11 5.23 -0.89 3.58 0.15 -1.01 -4.94 113.70 118.93 1qgb s SER 103 Ca 0.82 -0.09 -0.10 0.00 0.70 0.00 0.00 55.95 57.28 1qgb s SER 103 Cb -0.45 -1.91 0.23 0.00 -1.71 0.00 0.00 66.02 62.19 1qgb s SER 103 CO 0.37 0.09 0.83 0.00 1.20 0.00 0.00 173.24 175.73 1qgb s THR 105 N -0.40 3.79 0.59 0.00 -1.32 -1.26 -4.85 115.64 112.18 1qgb s THR 105 Ca 0.22 1.35 -0.20 0.00 -1.21 0.00 0.00 61.69 61.86 1qgb s THR 105 Cb -0.11 -3.87 -0.03 0.00 -1.51 0.00 0.00 72.50 66.98 1qgb s THR 105 CO -0.08 0.14 1.27 -0.51 -2.21 0.00 0.00 174.62 173.23 1qgb s ILE 106 N 0.68 2.34 0.83 5.08 2.07 -1.26 -2.50 121.20 128.43 1qgb s ILE 106 Ca 0.57 0.22 -0.12 0.00 -1.41 0.00 0.00 60.65 59.92 1qgb s ILE 106 Cb -0.31 -3.10 0.09 0.00 0.13 0.00 0.00 42.46 39.27 1qgb s ILE 106 CO 0.32 -0.03 1.14 0.00 -1.91 0.00 0.00 174.94 174.46 1qgb s ALA 107 N -1.45 2.33 -0.27 1.50 0.00 -0.22 -4.87 121.76 118.79 1qgb s ALA 107 Ca 0.76 -0.50 -0.27 0.00 0.00 0.00 0.00 51.96 51.95 1qgb s ALA 107 Cb -0.35 -3.01 0.17 0.00 0.00 0.00 0.00 23.12 19.93 1qgb s ALA 107 CO 0.39 -1.82 1.28 0.54 0.00 0.00 0.00 175.76 176.15 1qgb s ASN 108 N -4.27 -0.16 0.00 0.00 6.03 -1.26 -5.03 114.94 110.25 1qgb s ASN 108 Ca 0.62 0.24 0.19 0.00 -1.03 0.00 0.00 52.86 52.88 1qgb s ASN 108 Cb -0.13 0.22 0.15 0.00 -3.03 0.00 0.00 41.25 38.46 1qgb s ASN 108 CO 0.52 -0.10 1.10 0.54 -2.03 0.00 0.00 177.10 177.12