#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 0.00 0.00 -1.46 2.85 -1.26 -5.18 118.16 113.11 1qgb n LYS 18 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1qgb n LYS 18 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1qgb n LYS 18 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 1qgb n PRO 19 N -0.18 0.30 0.00 -1.58 -0.04 -1.26 -5.04 135.00 127.20 1qgb n PRO 19 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1qgb n PRO 19 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 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 2.10 2.14 3.85 0.55 0.00 -1.26 -5.06 105.19 107.51 1qgb n GLY 20 Ca 0.00 -1.52 -0.32 0.00 0.00 0.00 0.00 46.02 44.18 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 -2.15 -1.40 0.08 0.00 5.04 -1.26 -3.02 117.35 114.65 1qgb s TYR 22 Ca 0.56 1.47 -0.15 0.00 -2.44 0.00 0.00 57.07 56.52 1qgb s TYR 22 Cb -0.10 0.42 0.02 0.00 0.35 0.00 0.00 41.96 42.65 1qgb s TYR 22 CO 0.20 -0.84 0.34 0.34 -1.34 0.00 0.00 175.55 174.26 1qgb s ASP 23 N 2.77 -0.15 -1.62 4.32 -1.08 0.16 -4.89 116.67 116.19 1qgb s ASP 23 Ca 0.19 -0.29 0.00 0.00 -0.52 0.00 0.00 52.55 51.93 1qgb s ASP 23 Cb -0.15 0.41 0.00 0.00 -1.46 0.00 0.00 42.92 41.72 1qgb s ASP 23 CO -0.20 -0.74 0.00 -3.20 0.52 0.00 0.00 175.17 171.55 1qgb n ASN 24 N 0.12 -4.91 0.00 -0.34 4.05 -1.26 -0.10 115.26 112.82 1qgb n ASN 24 Ca -0.17 0.20 0.00 0.00 0.45 0.00 0.00 54.58 55.06 1qgb n ASN 24 Cb 0.62 -4.22 0.00 0.00 1.23 0.00 0.00 39.78 37.41 1qgb n ASN 24 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1qgb n GLY 25 N -0.71 0.51 3.43 8.20 0.00 -1.26 -5.01 105.19 110.35 1qgb n GLY 25 Ca -0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 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 2.30 -0.64 1.61 3.01 0.86 -5.09 119.74 121.46 1qgb s LYS 26 Ca 0.00 -0.83 -0.02 0.00 -1.01 0.00 0.00 55.97 54.12 1qgb s LYS 26 Cb 0.00 -2.25 0.16 0.00 -1.01 0.00 0.00 37.83 34.73 1qgb s LYS 26 CO 0.00 0.59 0.44 -1.58 0.51 0.00 0.00 175.35 175.31 1qgb s HIS 27 N -0.76 3.40 0.21 3.18 2.46 -1.26 -0.66 115.29 121.86 1qgb s HIS 27 Ca 0.12 -2.83 -0.17 0.00 0.47 0.00 0.00 55.06 52.65 1qgb s HIS 27 Cb -0.10 -3.14 -0.08 0.00 -0.13 0.00 0.00 32.58 29.13 1qgb s HIS 27 CO 0.01 -0.81 0.67 0.71 -2.47 0.00 0.00 174.74 172.85 1qgb s TYR 28 N -0.25 3.61 0.66 3.88 2.02 -1.17 -4.97 117.35 121.13 1qgb s TYR 28 Ca 0.18 1.27 -0.17 0.00 -0.37 0.00 0.00 57.07 57.98 1qgb s TYR 28 Cb -0.20 -2.53 -0.00 0.00 -0.40 0.00 0.00 41.96 38.83 1qgb s TYR 28 CO -0.04 0.34 1.23 -1.14 -1.57 0.00 0.00 175.55 174.37 1qgb s GLN 29 N -2.07 2.54 0.42 -0.62 0.74 -1.26 -3.13 119.66 116.28 1qgb s GLN 29 Ca 0.42 1.86 -0.24 0.00 0.05 0.00 0.00 55.36 57.45 1qgb s GLN 29 Cb -0.16 -1.87 -0.11 0.00 1.10 0.00 0.00 33.01 31.97 1qgb s GLN 29 CO 0.20 -1.55 0.86 -0.89 -0.55 0.00 0.00 175.29 173.37 1qgb n ILE 30 N -2.12 2.27 -0.86 -2.34 2.08 -1.26 -0.45 119.36 116.69 1qgb n ILE 30 Ca 0.14 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.95 1qgb n ILE 30 Cb 0.49 -0.94 0.00 0.00 -0.75 0.00 0.00 39.64 38.44 1qgb n ILE 30 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1qgb n ASN 31 N 0.74 -1.61 -4.83 4.38 3.02 -1.16 -4.95 115.26 110.85 1qgb n ASN 31 Ca 0.10 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.33 1qgb n ASN 31 Cb 0.39 -1.36 -0.06 0.00 -0.61 0.00 0.00 39.78 38.13 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 -0.60 4.16 0.00 3.52 2.00 0.41 -4.64 119.66 124.51 1qgb s GLN 32 Ca 0.00 1.08 0.06 0.00 -2.00 0.00 0.00 55.36 54.49 1qgb s GLN 32 Cb 0.00 -2.17 -0.03 0.00 0.80 0.00 0.00 33.01 31.61 1qgb s GLN 32 CO 0.00 -0.09 -0.16 -0.65 -0.50 0.00 0.00 175.29 173.88 1qgb s GLN 33 N -3.41 2.27 0.24 1.67 -0.21 -1.26 -1.24 119.66 117.71 1qgb s GLN 33 Ca 0.61 -0.85 -0.05 0.00 0.02 0.00 0.00 55.36 55.08 1qgb s GLN 33 Cb -0.09 -2.27 -0.02 0.00 1.00 0.00 0.00 33.01 31.63 1qgb s GLN 33 CO 0.18 0.58 0.31 1.67 -2.12 0.00 0.00 175.29 175.90 1qgb s TRP 34 N -0.83 0.87 -0.11 0.91 -2.14 -0.94 -5.04 118.94 111.64 1qgb s TRP 34 Ca 0.13 -1.13 -0.06 0.00 2.66 0.00 0.00 56.10 57.70 1qgb s TRP 34 Cb -0.11 -0.22 -0.04 0.00 -3.10 0.00 0.00 33.47 30.00 1qgb s TRP 34 CO 0.03 -0.84 0.13 -2.00 -2.66 0.00 0.00 176.95 171.61 1qgb s GLU 35 N -3.96 3.40 0.00 3.25 -6.30 -1.26 -2.28 118.70 111.55 1qgb s GLU 35 Ca 0.32 -0.16 0.00 0.00 -2.50 0.00 0.00 54.97 52.62 1qgb s GLU 35 Cb 0.03 -3.15 0.00 0.00 0.00 0.00 0.00 34.13 31.01 1qgb s GLU 35 CO 0.12 0.77 0.00 -2.13 0.02 0.00 0.00 175.26 174.04 1qgb n ARG 36 N 1.95 0.34 0.04 4.30 0.63 0.53 -4.91 116.66 119.54 1qgb n ARG 36 Ca -0.19 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.74 1qgb n ARG 36 Cb 0.55 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.46 1qgb n ARG 36 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 1qgb n THR 37 N 0.00 0.00 -2.53 5.15 5.66 -1.26 -1.03 114.28 120.28 1qgb n THR 37 Ca 0.00 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 60.99 1qgb n THR 37 Cb 0.00 -0.22 -0.01 0.00 -1.55 0.00 0.00 70.33 68.55 1qgb n THR 37 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1qgb n TYR 38 N -2.68 -1.15 -0.86 1.09 4.19 -1.26 -2.94 117.16 113.55 1qgb n TYR 38 Ca 0.00 0.68 0.00 0.00 3.31 0.00 0.00 57.90 61.89 1qgb n TYR 38 Cb 0.00 -1.71 0.00 0.00 0.49 0.00 0.00 39.34 38.12 1qgb n TYR 38 CO 0.00 0.00 0.00 -0.11 0.91 0.00 0.00 176.86 177.66 1qgb n LEU 39 N 2.16 0.00 -2.69 2.98 7.94 -1.26 -3.96 117.00 122.17 1qgb n LEU 39 Ca -0.05 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.73 1qgb n LEU 39 Cb 0.08 -0.43 0.06 0.00 0.53 0.00 0.00 43.42 43.66 1qgb n LEU 39 CO 0.05 0.00 0.07 0.61 -1.11 0.00 0.00 177.39 177.01 1qgb n GLY 40 N -2.86 -0.18 3.24 -3.96 0.00 -1.26 -5.04 105.19 95.12 1qgb n GLY 40 Ca 0.00 -0.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.83 -0.46 -0.32 1.61 0.01 -1.15 -5.10 114.94 105.69 1qgb s ASN 41 Ca 0.05 0.85 -0.30 0.00 -0.71 0.00 0.00 52.86 52.75 1qgb s ASN 41 Cb -0.01 0.76 -0.13 0.00 0.41 0.00 0.00 41.25 42.29 1qgb s ASN 41 CO 0.51 -0.19 1.06 0.00 -1.51 0.00 0.00 177.10 176.96 1qgb n ALA 42 N 4.34 -0.82 -3.10 0.60 0.00 -1.26 -4.03 120.51 116.24 1qgb n ALA 42 Ca -0.22 0.31 -0.12 0.00 0.00 0.00 0.00 53.44 53.41 1qgb n ALA 42 Cb 0.55 -1.25 -0.11 0.00 0.00 0.00 0.00 19.45 18.64 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 2.05 1.42 -0.01 0.00 2.96 -0.20 -2.78 118.68 122.12 1qgb s LEU 43 Ca 0.69 0.03 0.04 0.00 -0.22 0.00 0.00 54.13 54.66 1qgb s LEU 43 Cb -0.97 0.69 -0.01 0.00 0.50 0.00 0.00 46.19 46.40 1qgb s LEU 43 CO 0.53 -0.26 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.49 1qgb s VAL 44 N -0.82 0.96 0.11 1.68 1.01 0.26 0.20 120.40 123.80 1qgb s VAL 44 Ca -0.09 -0.51 0.09 0.00 0.00 0.00 0.00 61.98 61.47 1qgb s VAL 44 Cb -0.05 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 1qgb s VAL 44 CO 0.01 0.28 -0.22 0.00 0.00 0.00 0.00 175.10 175.17 1qgb s THR 46 N -1.21 0.47 0.60 0.00 2.01 -1.21 -2.22 115.64 114.08 1qgb s THR 46 Ca 0.09 -0.01 -0.17 0.00 0.31 0.00 0.00 61.69 61.91 1qgb s THR 46 Cb -0.10 -0.66 -0.03 0.00 0.01 0.00 0.00 72.50 71.72 1qgb s THR 46 CO 0.05 0.21 1.10 0.00 -0.69 0.00 0.00 174.62 175.29 1qgb n TYR 48 N -1.87 0.00 0.00 0.00 4.01 0.48 -2.99 117.16 116.79 1qgb n TYR 48 Ca 0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.84 1qgb n TYR 48 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.55 1qgb n TYR 48 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1qgb n GLY 49 N 2.36 -0.45 7.00 2.72 0.00 -1.22 -4.50 105.19 111.09 1qgb n GLY 49 Ca 0.00 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.21 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 -0.51 2.26 0.02 -0.02 0.00 -1.26 -1.98 105.19 103.70 1qgb n GLY 50 Ca 0.00 0.39 0.01 0.00 0.00 0.00 0.00 46.02 46.42 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 8.14 2.83 -0.34 1.61 7.64 -1.26 -4.58 113.62 127.66 1qgb n SER 51 Ca 0.00 0.00 0.15 0.00 1.01 0.00 0.00 58.87 60.03 1qgb n SER 51 Cb 0.00 1.17 0.35 0.00 -1.01 0.00 0.00 64.21 64.72 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 0.00 0.67 0.00 1.43 3.08 -1.74 -3.46 114.38 114.36 1qgb h ARG 52 Ca -0.09 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.92 1qgb h ARG 52 Cb 0.85 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.75 1qgb h ARG 52 CO 0.00 0.45 0.00 0.41 -1.07 0.00 0.00 179.97 179.76 1qgb n GLY 53 N -1.35 1.81 3.26 0.04 0.00 -1.14 -4.87 105.19 102.96 1qgb n GLY 53 Ca 0.24 -0.46 -0.09 0.00 0.00 0.00 0.00 46.02 45.70 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 0.29 -0.07 1.61 -0.12 -1.26 0.18 117.98 118.62 1qgb s PHE 54 Ca 0.00 -0.69 -0.03 0.00 -0.05 0.00 0.00 56.93 56.16 1qgb s PHE 54 Cb 0.00 -0.07 0.04 0.00 -0.63 0.00 0.00 43.02 42.36 1qgb s PHE 54 CO 0.00 -0.62 0.14 1.21 -0.05 0.00 0.00 175.22 175.89 1qgb s ASN 55 N -2.92 0.23 0.61 1.98 2.47 -1.21 -4.96 114.94 111.13 1qgb s ASN 55 Ca 0.11 0.28 -0.05 0.00 0.42 0.00 0.00 52.86 53.63 1qgb s ASN 55 Cb 0.04 0.18 0.02 0.00 -1.45 0.00 0.00 41.25 40.05 1qgb s ASN 55 CO -0.05 -0.18 0.90 0.00 -3.72 0.00 0.00 177.10 174.05 1qgb s GLU 57 N -5.01 0.34 0.29 0.00 -1.05 0.93 -4.92 118.70 109.29 1qgb s GLU 57 Ca 0.55 0.48 -0.28 0.00 -0.15 0.00 0.00 54.97 55.57 1qgb s GLU 57 Cb -0.11 0.13 -0.14 0.00 -0.44 0.00 0.00 34.13 33.57 1qgb s GLU 57 CO 0.44 -0.05 1.00 0.45 0.95 0.00 0.00 175.26 178.05 1qgb n SER 58 N 2.70 1.27 -4.59 0.83 2.88 -1.26 -0.58 113.62 114.88 1qgb n SER 58 Ca -0.15 1.17 -0.51 0.00 -1.33 0.00 0.00 58.87 58.06 1qgb n SER 58 Cb 0.57 -1.29 -0.05 0.00 -0.75 0.00 0.00 64.21 62.69 1qgb n SER 58 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1qgb n LYS 59 N 0.70 1.17 -0.70 -1.46 3.00 -1.12 -4.78 118.16 114.98 1qgb n LYS 59 Ca 0.10 0.42 -0.30 0.00 -0.00 0.00 0.00 58.31 58.52 1qgb n LYS 59 Cb 0.32 -2.02 0.27 0.00 0.00 0.00 0.00 35.03 33.60 1qgb n LYS 59 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1qgb s PRO 60 N 0.19 -2.21 -0.40 1.64 0.04 -1.26 -3.82 135.00 129.18 1qgb s PRO 60 Ca 0.80 0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.87 1qgb s PRO 60 Cb -0.91 -1.47 0.00 0.00 0.04 0.00 0.00 34.50 32.15 1qgb s PRO 60 CO 0.48 -4.38 0.00 -1.91 0.04 0.00 0.00 177.00 171.24 1qgb n GLU 61 N -5.25 -1.25 -1.05 4.56 0.00 -1.26 -4.75 120.64 111.63 1qgb n GLU 61 Ca 0.13 0.51 0.11 0.00 0.00 0.00 0.00 57.16 57.91 1qgb n GLU 61 Cb 0.60 -4.55 -0.04 0.00 0.00 0.00 0.00 31.44 27.45 1qgb n GLU 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1qgb n ALA 62 N 1.07 -3.02 -3.64 4.31 0.00 -1.25 -4.84 120.51 113.15 1qgb n ALA 62 Ca -0.04 0.42 -0.32 0.00 0.00 0.00 0.00 53.44 53.50 1qgb n ALA 62 Cb 0.37 -1.06 -0.17 0.00 0.00 0.00 0.00 19.45 18.60 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 -3.29 3.03 -0.20 0.00 2.12 -1.26 -5.01 118.70 114.08 1qgb s GLU 63 Ca 0.00 -0.85 -0.36 0.00 0.36 0.00 0.00 54.97 54.12 1qgb s GLU 63 Cb 0.00 -2.43 0.14 0.00 0.26 0.00 0.00 34.13 32.11 1qgb s GLU 63 CO 0.00 -0.00 1.29 -1.21 -0.54 0.00 0.00 175.26 174.80 1qgb s GLU 64 N 0.78 0.20 0.21 4.30 0.41 -1.26 -5.03 118.70 118.32 1qgb s GLU 64 Ca -0.08 -0.08 0.00 0.00 -0.41 0.00 0.00 54.97 54.40 1qgb s GLU 64 Cb -0.16 0.09 0.00 0.00 -1.78 0.00 0.00 34.13 32.28 1qgb s GLU 64 CO -0.01 -0.09 0.00 0.25 -0.49 0.00 0.00 175.26 174.92 1qgb n THR 65 N -0.12 0.00 -3.60 3.63 -2.24 -1.26 -4.40 114.28 106.29 1qgb n THR 65 Ca 0.01 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.76 1qgb n THR 65 Cb 0.58 -0.12 -0.02 0.00 -2.10 0.00 0.00 70.33 68.68 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 -2.44 2.71 -0.59 0.00 5.36 -1.26 -2.47 117.98 119.29 1qgb s PHE 67 Ca 0.11 -1.12 -0.27 0.00 -0.96 0.00 0.00 56.93 54.69 1qgb s PHE 67 Cb 0.01 -1.83 0.03 0.00 -0.34 0.00 0.00 43.02 40.88 1qgb s PHE 67 CO -0.04 -0.50 1.12 -0.51 -1.46 0.00 0.00 175.22 173.83 1qgb s ASP 68 N 0.72 6.38 0.00 6.13 1.11 -1.21 -4.71 116.67 125.09 1qgb s ASP 68 Ca -0.08 -0.11 0.22 0.00 0.18 0.00 0.00 52.55 52.75 1qgb s ASP 68 Cb -0.16 -2.52 1.25 0.00 1.07 0.00 0.00 42.92 42.56 1qgb s ASP 68 CO 0.01 -1.45 1.67 2.29 1.18 0.00 0.00 175.17 178.88 1qgb n LYS 69 N 8.24 0.60 -0.00 8.23 2.85 -1.26 0.92 118.16 137.74 1qgb n LYS 69 Ca 0.06 0.02 0.01 0.00 -1.05 0.00 0.00 58.31 57.34 1qgb n LYS 69 Cb 0.48 -1.50 -0.11 0.00 -0.65 0.00 0.00 35.03 33.25 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 -1.06 0.57 0.00 5.58 4.02 -1.26 -4.81 117.16 120.19 1qgb n TYR 70 Ca 0.15 0.19 0.00 0.00 -0.01 0.00 0.00 57.90 58.23 1qgb n TYR 70 Cb 0.09 -0.94 0.00 0.00 -0.02 0.00 0.00 39.34 38.47 1qgb n TYR 70 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1qgb n THR 71 N -2.72 0.00 0.00 -0.72 -2.24 -1.04 -5.08 114.28 102.49 1qgb n THR 71 Ca -0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1qgb n THR 71 Cb 0.84 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 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 1.13 1.00 3.29 3.38 0.00 0.26 -5.02 105.19 109.23 1qgb n GLY 72 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.00 4.13 0.08 1.61 -0.87 -1.26 -4.80 114.94 111.83 1qgb s ASN 73 Ca 0.00 -0.43 -0.31 0.00 -1.57 0.00 0.00 52.86 50.56 1qgb s ASN 73 Cb 0.00 -1.70 -0.07 0.00 -0.02 0.00 0.00 41.25 39.46 1qgb s ASN 73 CO 0.00 -0.01 1.41 -0.89 -2.57 0.00 0.00 177.10 175.03 1qgb s THR 74 N 1.42 3.40 0.07 1.60 2.01 -1.26 -3.31 115.64 119.57 1qgb s THR 74 Ca 0.05 0.95 0.01 0.00 0.31 0.00 0.00 61.69 63.01 1qgb s THR 74 Cb -0.14 -3.61 -0.00 0.00 0.01 0.00 0.00 72.50 68.75 1qgb s THR 74 CO -0.04 0.05 0.03 -1.22 -0.69 0.00 0.00 174.62 172.74 1qgb n TYR 75 N 4.40 0.02 -4.06 4.92 4.01 -1.03 -4.94 117.16 120.48 1qgb n TYR 75 Ca 0.12 -0.44 -0.35 0.00 -0.16 0.00 0.00 57.90 57.07 1qgb n TYR 75 Cb 0.43 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.37 1qgb n TYR 75 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1qgb s ARG 76 N -2.26 3.61 0.63 -0.72 0.52 -1.26 -1.67 118.95 117.80 1qgb s ARG 76 Ca 0.04 -0.30 0.34 0.00 -0.52 0.00 0.00 55.73 55.28 1qgb s ARG 76 Cb 0.00 -3.11 1.90 0.00 0.52 0.00 0.00 34.95 34.26 1qgb s ARG 76 CO 0.03 0.50 2.17 -0.24 0.02 0.00 0.00 175.30 177.77 1qgb h VAL 77 N 4.48 0.26 -0.45 3.52 3.04 -1.74 0.34 116.25 125.69 1qgb h VAL 77 Ca -0.45 0.00 -0.11 0.00 -1.01 0.00 0.00 66.70 65.13 1qgb h VAL 77 Cb 1.19 0.87 -0.07 0.00 -2.01 0.00 0.00 31.29 31.27 1qgb h VAL 77 CO 0.64 0.00 0.14 0.61 -1.01 0.00 0.00 177.57 177.95 1qgb n GLY 78 N -1.27 2.83 2.87 3.17 0.00 -1.26 -4.71 105.19 106.82 1qgb n GLY 78 Ca -0.01 -0.62 -0.15 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.47 0.10 0.53 1.61 2.15 0.11 -5.13 116.67 115.56 1qgb s ASP 79 Ca 0.35 0.24 0.09 0.00 0.43 0.00 0.00 52.55 53.66 1qgb s ASP 79 Cb 0.28 0.13 0.06 0.00 -0.30 0.00 0.00 42.92 43.09 1qgb s ASP 79 CO 0.09 -0.16 0.68 0.28 -0.17 0.00 0.00 175.17 175.89 1qgb s THR 80 N 1.36 2.33 -0.20 1.71 -1.32 -1.26 -3.77 115.64 114.49 1qgb s THR 80 Ca -0.07 -1.06 -0.17 0.00 -1.21 0.00 0.00 61.69 59.18 1qgb s THR 80 Cb -0.12 -2.39 0.05 0.00 -1.51 0.00 0.00 72.50 68.53 1qgb s THR 80 CO -0.05 0.00 0.52 -0.72 -2.21 0.00 0.00 174.62 172.15 1qgb s TYR 81 N -2.59 -0.60 0.24 9.09 1.13 -0.13 -4.95 117.35 119.54 1qgb s TYR 81 Ca 0.57 1.42 -0.30 0.00 -1.41 0.00 0.00 57.07 57.36 1qgb s TYR 81 Cb -0.06 0.23 -0.09 0.00 -1.10 0.00 0.00 41.96 40.94 1qgb s TYR 81 CO 0.35 -0.30 1.27 -1.21 -2.51 0.00 0.00 175.55 173.15 1qgb s GLU 82 N 0.49 4.43 -0.35 -3.49 2.02 -1.26 -1.62 118.70 118.91 1qgb s GLU 82 Ca -0.02 2.04 0.05 0.00 0.02 0.00 0.00 54.97 57.06 1qgb s GLU 82 Cb -0.04 -3.17 0.17 0.00 0.10 0.00 0.00 34.13 31.19 1qgb s GLU 82 CO -0.02 -0.15 0.49 0.50 0.02 0.00 0.00 175.26 176.09 1qgb s ARG 83 N -0.71 0.63 0.99 1.61 3.00 0.07 -4.86 118.95 119.69 1qgb s ARG 83 Ca 0.53 -0.26 -0.12 0.00 -1.00 0.00 0.00 55.73 54.88 1qgb s ARG 83 Cb -0.36 -0.25 0.18 0.00 0.00 0.00 0.00 34.95 34.52 1qgb s ARG 83 CO 0.42 -1.14 1.08 -1.25 0.00 0.00 0.00 175.30 174.41 1qgb s PRO 84 N 2.00 0.49 0.00 5.12 0.04 -1.26 -3.53 135.00 137.85 1qgb s PRO 84 Ca 0.14 0.81 0.00 0.00 0.04 0.00 0.00 61.00 61.99 1qgb s PRO 84 Cb -0.10 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.72 1qgb s PRO 84 CO -0.14 -2.77 0.00 1.17 0.04 0.00 0.00 177.00 175.30 1qgb n LYS 85 N -4.25 0.00 0.00 4.56 4.81 -0.86 -4.89 118.16 117.54 1qgb n LYS 85 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.50 1qgb n LYS 85 Cb 0.55 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.60 1qgb n LYS 85 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1qgb n ASP 86 N 0.00 0.00 -0.82 3.14 2.03 -1.26 -1.43 116.55 118.22 1qgb n ASP 86 Ca 0.00 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.28 1qgb n ASP 86 Cb 0.00 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.37 1qgb n ASP 86 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1qgb n SER 87 N 2.87 -0.34 -3.64 1.67 3.41 -1.26 -5.13 113.62 111.20 1qgb n SER 87 Ca 0.00 -1.62 -0.14 0.00 -0.26 0.00 0.00 58.87 56.85 1qgb n SER 87 Cb 0.00 0.09 -0.07 0.00 -0.26 0.00 0.00 64.21 63.97 1qgb n SER 87 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 1qgb s MET 88 N 0.00 0.90 -0.11 4.33 0.00 -0.51 -5.15 119.30 118.76 1qgb s MET 88 Ca 0.03 -0.18 -0.18 0.00 0.00 0.00 0.00 55.69 55.37 1qgb s MET 88 Cb 0.04 0.41 -0.04 0.00 0.00 0.00 0.00 34.83 35.24 1qgb s MET 88 CO -0.02 -0.30 0.47 0.42 0.00 0.00 0.00 175.02 175.59 1qgb s ILE 89 N -1.93 5.18 -0.07 10.11 1.01 -1.26 -2.03 121.20 132.22 1qgb s ILE 89 Ca -0.08 0.93 0.02 0.00 0.00 0.00 0.00 60.65 61.52 1qgb s ILE 89 Cb -0.02 -3.80 0.01 0.00 0.01 0.00 0.00 42.46 38.66 1qgb s ILE 89 CO 0.02 0.34 -0.13 0.26 0.00 0.00 0.00 174.94 175.44 1qgb s TRP 90 N 0.51 1.50 -1.39 3.97 0.52 -1.23 -3.22 118.94 119.60 1qgb s TRP 90 Ca 0.25 -0.56 -0.12 0.00 0.02 0.00 0.00 56.10 55.69 1qgb s TRP 90 Cb -0.15 -1.10 0.09 0.00 -1.15 0.00 0.00 33.47 31.16 1qgb s TRP 90 CO 0.10 -0.28 2.11 -0.25 0.02 0.00 0.00 176.95 178.65 1qgb n ASP 91 N 3.81 4.36 -4.60 2.95 9.92 -1.14 -0.75 116.55 131.10 1qgb n ASP 91 Ca -0.23 -2.94 -0.57 0.00 -0.53 0.00 0.00 54.79 50.52 1qgb n ASP 91 Cb 0.52 -1.59 -0.07 0.00 -0.64 0.00 0.00 41.12 39.33 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 1.11 4.41 -0.76 0.00 2.01 -0.25 -0.95 115.64 121.20 1qgb s THR 93 Ca 0.92 -0.14 -0.26 0.00 0.31 0.00 0.00 61.69 62.52 1qgb s THR 93 Cb -1.16 -3.06 -0.25 0.00 0.01 0.00 0.00 72.50 68.04 1qgb s THR 93 CO 0.58 0.34 1.90 0.00 -0.69 0.00 0.00 174.62 176.75 1qgb s ILE 95 N 13.91 5.08 0.00 0.00 1.01 -1.26 -4.25 121.20 135.69 1qgb s ILE 95 Ca 0.73 1.14 0.00 0.00 0.00 0.00 0.00 60.65 62.52 1qgb s ILE 95 Cb -0.00 -3.90 0.00 0.00 0.01 0.00 0.00 42.46 38.57 1qgb s ILE 95 CO 0.21 0.34 0.00 0.61 0.00 0.00 0.00 174.94 176.10 1qgb n GLY 96 N 2.97 0.24 2.56 6.18 0.00 -1.26 -2.43 105.19 113.46 1qgb n GLY 96 Ca -0.06 -1.84 -0.03 0.00 0.00 0.00 0.00 46.02 44.09 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 -0.59 1.52 -0.33 4.61 0.00 -1.25 -4.30 120.51 120.17 1qgb n ALA 97 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 53.44 52.49 1qgb n ALA 97 Cb 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 18.59 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 -1.03 0.83 1.94 0.00 0.00 -1.26 -4.58 105.19 101.08 1qgb n GLY 98 Ca -0.12 -0.09 -0.02 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.33 0.67 0.00 1.61 3.00 -1.26 -4.67 116.66 113.68 1qgb n ARG 99 Ca 0.00 -0.71 0.00 0.00 -0.00 0.00 0.00 57.85 57.14 1qgb n ARG 99 Cb 0.00 0.31 0.00 0.00 0.00 0.00 0.00 32.46 32.77 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 -0.77 0.66 0.00 5.14 0.00 -1.26 -5.06 105.19 103.90 1qgb n GLY 100 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1qgb n GLY 100 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1qgb n ARG 101 N 0.00 0.00 -1.55 1.61 1.85 -1.02 -5.03 116.66 112.53 1qgb n ARG 101 Ca 0.00 0.00 -0.36 0.00 -1.00 0.00 0.00 57.85 56.49 1qgb n ARG 101 Cb 0.00 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.35 1qgb n ARG 101 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 1qgb n ILE 102 N 0.00 1.78 -1.08 8.89 2.08 -1.26 -4.11 119.36 125.66 1qgb n ILE 102 Ca 0.00 -1.71 -0.37 0.00 0.56 0.00 0.00 62.75 61.24 1qgb n ILE 102 Cb 0.00 -2.24 0.04 0.00 -0.75 0.00 0.00 39.64 36.69 1qgb n ILE 102 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 1qgb n SER 103 N 10.78 -4.62 -3.55 4.38 2.88 -1.22 -4.43 113.62 117.84 1qgb n SER 103 Ca 0.47 0.37 -0.29 0.00 -1.33 0.00 0.00 58.87 58.09 1qgb n SER 103 Cb 0.43 -0.86 -0.14 0.00 -0.75 0.00 0.00 64.21 62.89 1qgb n SER 103 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qgb s THR 105 N 1.74 4.80 0.43 0.00 -1.32 -1.26 -4.91 115.64 115.12 1qgb s THR 105 Ca 0.12 -0.05 -0.23 0.00 -1.21 0.00 0.00 61.69 60.32 1qgb s THR 105 Cb -0.18 -3.10 -0.11 0.00 -1.51 0.00 0.00 72.50 67.59 1qgb s THR 105 CO -0.25 0.55 0.74 -0.38 -2.21 0.00 0.00 174.62 173.06 1qgb n ILE 106 N 2.71 2.13 -2.12 5.08 -0.00 -1.26 -2.87 119.36 123.03 1qgb n ILE 106 Ca -0.18 -0.50 -0.37 0.00 -0.00 0.00 0.00 62.75 61.70 1qgb n ILE 106 Cb 0.53 -0.78 -0.03 0.00 -0.00 0.00 0.00 39.64 39.36 1qgb n ILE 106 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1qgb s ALA 107 N -1.39 2.19 -0.01 -1.39 0.00 -1.20 -4.82 121.76 115.14 1qgb s ALA 107 Ca 0.64 -0.90 0.01 0.00 0.00 0.00 0.00 51.96 51.71 1qgb s ALA 107 Cb -0.58 -4.34 0.01 0.00 0.00 0.00 0.00 23.12 18.21 1qgb s ALA 107 CO 0.57 -3.94 -0.03 1.21 0.00 0.00 0.00 175.76 173.58 1qgb s ASN 108 N 7.46 0.45 0.00 0.00 3.84 -1.26 -5.10 114.94 120.33 1qgb s ASN 108 Ca 0.63 -0.06 0.00 0.00 0.21 0.00 0.00 52.86 53.64 1qgb s ASN 108 Cb -0.11 -0.12 0.00 0.00 -0.55 0.00 0.00 41.25 40.47 1qgb s ASN 108 CO 0.16 -0.00 0.00 0.54 -2.79 0.00 0.00 177.10 175.01