#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 0.85 -0.52 4.33 2.85 -1.26 -5.15 118.16 119.27 1qgb n LYS 18 Ca 0.00 -2.51 -0.29 0.00 -1.05 0.00 0.00 58.31 54.46 1qgb n LYS 18 Cb 0.00 -1.35 0.24 0.00 -0.65 0.00 0.00 35.03 33.27 1qgb n LYS 18 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 1qgb n PRO 19 N 1.02 -2.35 0.00 -1.58 -0.02 -1.26 -4.46 135.00 126.34 1qgb n PRO 19 Ca 0.15 -0.66 0.00 0.00 -2.02 0.00 0.00 63.50 60.97 1qgb n PRO 19 Cb 0.62 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 32.09 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 1.36 2.40 3.30 -1.23 0.00 -1.26 -4.81 105.19 104.94 1qgb n GLY 20 Ca 0.02 -2.07 -0.09 0.00 0.00 0.00 0.00 46.02 43.88 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 2.23 3.06 -0.04 0.00 5.04 -1.26 -3.44 117.35 122.94 1qgb s TYR 22 Ca -0.04 -1.14 0.06 0.00 -2.44 0.00 0.00 57.07 53.50 1qgb s TYR 22 Cb -0.11 -4.15 -0.02 0.00 0.35 0.00 0.00 41.96 38.03 1qgb s TYR 22 CO -0.13 -1.41 -0.20 -0.51 -1.34 0.00 0.00 175.55 171.96 1qgb s ASP 23 N 3.48 3.55 -1.48 4.32 1.01 0.16 -4.68 116.67 123.02 1qgb s ASP 23 Ca 0.22 -0.33 -0.07 0.00 0.71 0.00 0.00 52.55 53.07 1qgb s ASP 23 Cb -0.14 -0.64 0.05 0.00 1.01 0.00 0.00 42.92 43.21 1qgb s ASP 23 CO -0.00 0.33 0.68 -3.20 0.21 0.00 0.00 175.17 173.18 1qgb n ASN 24 N 2.42 -2.14 -1.07 0.27 2.85 -1.26 0.58 115.26 116.92 1qgb n ASN 24 Ca -0.17 -0.92 -0.13 0.00 -0.11 0.00 0.00 54.58 53.25 1qgb n ASN 24 Cb 0.52 -3.36 -0.06 0.00 1.24 0.00 0.00 39.78 38.12 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 -1.72 1.24 3.25 8.20 0.00 -1.26 -4.94 105.19 109.97 1qgb n GLY 25 Ca -0.14 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.05 1.04 -0.41 1.61 3.01 0.20 -5.12 119.74 117.02 1qgb s LYS 26 Ca 0.00 -1.18 0.01 0.00 -1.01 0.00 0.00 55.97 53.79 1qgb s LYS 26 Cb 0.00 -1.07 0.11 0.00 -1.01 0.00 0.00 37.83 35.86 1qgb s LYS 26 CO 0.00 0.23 0.17 -1.58 0.51 0.00 0.00 175.35 174.67 1qgb s HIS 27 N -1.69 3.60 0.87 3.18 2.46 -1.26 0.35 115.29 122.81 1qgb s HIS 27 Ca 0.07 -2.79 -0.15 0.00 0.47 0.00 0.00 55.06 52.66 1qgb s HIS 27 Cb -0.07 -3.05 0.20 0.00 -0.13 0.00 0.00 32.58 29.53 1qgb s HIS 27 CO 0.04 -0.92 1.18 0.66 -2.47 0.00 0.00 174.74 173.23 1qgb n TYR 28 N 4.17 -4.00 -3.30 3.88 4.02 -1.22 -4.97 117.16 115.74 1qgb n TYR 28 Ca 0.02 -1.04 -0.39 0.00 -0.01 0.00 0.00 57.90 56.47 1qgb n TYR 28 Cb 0.40 -0.92 -0.08 0.00 -0.02 0.00 0.00 39.34 38.72 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 -5.59 4.07 0.12 -0.72 0.74 -1.26 -4.40 119.66 112.62 1qgb s GLN 29 Ca 0.67 0.22 -0.20 0.00 0.05 0.00 0.00 55.36 56.10 1qgb s GLN 29 Cb -0.02 -3.64 -0.12 0.00 1.10 0.00 0.00 33.01 30.33 1qgb s GLN 29 CO 0.47 -0.29 0.40 -0.89 -0.55 0.00 0.00 175.29 174.43 1qgb n ILE 30 N 5.05 1.23 -0.96 -2.34 -0.00 -1.26 0.26 119.36 121.33 1qgb n ILE 30 Ca -0.06 -0.31 0.00 0.00 -0.00 0.00 0.00 62.75 62.38 1qgb n ILE 30 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.14 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 1.35 -1.85 -4.87 4.38 3.02 0.64 -4.98 115.26 112.94 1qgb n ASN 31 Ca 0.13 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.37 1qgb n ASN 31 Cb 0.16 -0.69 -0.03 0.00 -0.61 0.00 0.00 39.78 38.61 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 -0.23 3.79 -0.13 3.52 0.74 0.14 -4.73 119.66 122.77 1qgb s GLN 32 Ca 0.00 0.46 0.02 0.00 0.05 0.00 0.00 55.36 55.89 1qgb s GLN 32 Cb 0.00 -2.42 0.01 0.00 1.10 0.00 0.00 33.01 31.71 1qgb s GLN 32 CO 0.00 0.01 -0.18 -0.65 -0.55 0.00 0.00 175.29 173.91 1qgb s GLN 33 N -3.72 2.61 0.37 1.67 -0.21 -1.26 -1.51 119.66 117.61 1qgb s GLN 33 Ca 0.51 -0.70 0.04 0.00 0.02 0.00 0.00 55.36 55.22 1qgb s GLN 33 Cb -0.10 -2.17 -0.03 0.00 1.00 0.00 0.00 33.01 31.70 1qgb s GLN 33 CO 0.30 -0.05 0.12 1.67 -2.12 0.00 0.00 175.29 175.21 1qgb s TRP 34 N 0.94 1.78 -0.23 0.91 -2.14 -0.77 -5.00 118.94 114.43 1qgb s TRP 34 Ca -0.06 -1.24 -0.10 0.00 2.66 0.00 0.00 56.10 57.36 1qgb s TRP 34 Cb -0.15 -1.11 -0.05 0.00 -3.10 0.00 0.00 33.47 29.06 1qgb s TRP 34 CO -0.02 -0.29 0.15 -2.00 -2.66 0.00 0.00 176.95 172.12 1qgb s GLU 35 N -3.77 4.10 0.00 3.25 2.56 -1.26 -0.86 118.70 122.72 1qgb s GLU 35 Ca 0.29 -0.26 0.00 0.00 0.00 0.00 0.00 54.97 55.00 1qgb s GLU 35 Cb 0.04 -3.49 0.00 0.00 2.00 0.00 0.00 34.13 32.68 1qgb s GLU 35 CO 0.15 0.14 0.00 -2.13 -0.56 0.00 0.00 175.26 172.86 1qgb n ARG 36 N 4.04 0.32 -3.83 4.30 0.63 0.51 -4.86 116.66 117.75 1qgb n ARG 36 Ca -0.15 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 -1.04 0.01 -0.04 5.15 -1.32 -1.23 0.97 115.64 118.15 1qgb s THR 37 Ca 0.00 -0.11 0.02 0.00 -1.21 0.00 0.00 61.69 60.39 1qgb s THR 37 Cb 0.00 -0.23 0.01 0.00 -1.51 0.00 0.00 72.50 70.77 1qgb s THR 37 CO 0.00 -0.06 -0.10 -0.47 -2.21 0.00 0.00 174.62 171.78 1qgb s TYR 38 N -0.14 1.11 -1.29 9.09 5.04 -0.21 -4.72 117.35 126.24 1qgb s TYR 38 Ca -0.02 -0.34 0.00 0.00 -2.44 0.00 0.00 57.07 54.27 1qgb s TYR 38 Cb -0.02 -0.83 0.00 0.00 0.35 0.00 0.00 41.96 41.46 1qgb s TYR 38 CO 0.00 -0.18 0.00 1.28 -1.34 0.00 0.00 175.55 175.32 1qgb n LEU 39 N 3.59 -0.63 -0.29 6.97 4.32 -1.26 -1.93 117.00 127.77 1qgb n LEU 39 Ca -0.21 0.30 0.00 0.00 -0.02 0.00 0.00 56.01 56.08 1qgb n LEU 39 Cb 0.53 -2.37 0.00 0.00 -1.62 0.00 0.00 43.42 39.95 1qgb n LEU 39 CO 0.25 -0.89 0.00 0.61 -1.22 0.00 0.00 177.39 176.14 1qgb n GLY 40 N -0.49 0.87 3.12 -0.72 0.00 -1.26 -5.08 105.19 101.63 1qgb n GLY 40 Ca -0.12 -0.62 -0.13 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.83 -0.25 0.16 1.61 0.01 -0.81 -5.13 114.94 107.71 1qgb s ASN 41 Ca 0.00 0.48 -0.33 0.00 -0.71 0.00 0.00 52.86 52.30 1qgb s ASN 41 Cb 0.00 0.48 -0.16 0.00 0.41 0.00 0.00 41.25 41.98 1qgb s ASN 41 CO 0.00 -0.08 1.16 0.00 -1.51 0.00 0.00 177.10 176.66 1qgb n ALA 42 N 2.99 -0.91 -3.58 0.60 0.00 -1.26 -1.04 120.51 117.32 1qgb n ALA 42 Ca -0.13 0.47 -0.13 0.00 0.00 0.00 0.00 53.44 53.65 1qgb n ALA 42 Cb 0.58 -2.02 -0.06 0.00 0.00 0.00 0.00 19.45 17.96 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 0.67 -0.50 -0.03 0.00 0.20 0.27 -3.18 118.68 116.11 1qgb s LEU 43 Ca 0.74 0.66 -0.19 0.00 0.69 0.00 0.00 54.13 56.03 1qgb s LEU 43 Cb -0.87 2.11 -0.05 0.00 -0.43 0.00 0.00 46.19 46.95 1qgb s LEU 43 CO 0.52 -0.38 0.54 -0.69 -0.29 0.00 0.00 176.35 176.06 1qgb s VAL 44 N -0.78 4.99 -0.15 1.68 1.01 -1.26 0.19 120.40 126.08 1qgb s VAL 44 Ca -0.03 1.13 0.02 0.00 0.00 0.00 0.00 61.98 63.09 1qgb s VAL 44 Cb -0.01 -3.88 0.01 0.00 0.00 0.00 0.00 36.38 32.50 1qgb s VAL 44 CO 0.03 0.42 -0.21 0.00 0.00 0.00 0.00 175.10 175.34 1qgb n THR 46 N 4.25 0.00 -3.70 0.00 -1.04 -1.26 -1.84 114.28 110.69 1qgb n THR 46 Ca -0.20 -0.70 -0.21 0.00 -2.04 0.00 0.00 64.05 60.90 1qgb n THR 46 Cb 0.51 -1.06 -0.18 0.00 -1.82 0.00 0.00 70.33 67.78 1qgb n THR 46 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1qgb n TYR 48 N 5.25 1.01 0.00 0.00 4.01 -1.26 0.23 117.16 126.41 1qgb n TYR 48 Ca -0.04 0.34 0.00 0.00 -0.16 0.00 0.00 57.90 58.04 1qgb n TYR 48 Cb 0.50 -1.11 0.00 0.00 -0.31 0.00 0.00 39.34 38.42 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 1.63 1.84 7.00 2.72 0.00 -1.26 -4.48 105.19 112.65 1qgb n GLY 49 Ca -0.34 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 43.70 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 1.53 3.06 0.00 -0.02 0.00 -1.26 -2.91 105.19 105.59 1qgb n GLY 50 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 9.78 0.23 0.13 1.61 3.41 -1.26 -4.71 113.62 122.81 1qgb n SER 51 Ca 0.00 -0.57 0.15 0.00 -0.26 0.00 0.00 58.87 58.19 1qgb n SER 51 Cb 0.00 0.51 0.70 0.00 -0.26 0.00 0.00 64.21 65.16 1qgb n SER 51 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1qgb h ARG 52 N 0.00 0.00 -3.24 4.33 3.08 -1.92 -3.48 114.38 113.15 1qgb h ARG 52 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1qgb h ARG 52 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 1qgb h ARG 52 CO 0.00 0.00 -0.78 0.41 -1.07 0.00 0.00 179.97 178.53 1qgb n GLY 53 N -1.57 -4.51 0.00 0.04 0.00 -1.26 -4.97 105.19 92.93 1qgb n GLY 53 Ca 0.04 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.56 -1.72 0.00 1.61 -1.74 -1.26 -4.66 117.46 109.13 1qgb n PHE 54 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 1qgb n PHE 54 Cb 0.00 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.00 1qgb n PHE 54 CO 0.00 0.00 0.00 -1.71 -0.56 0.00 0.00 176.76 174.49 1qgb n ASN 55 N -2.26 0.00 0.00 5.98 5.15 -1.26 -4.96 115.26 117.92 1qgb n ASN 55 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1qgb n ASN 55 Cb 0.00 0.18 0.00 0.00 -0.53 0.00 0.00 39.78 39.43 1qgb n ASN 55 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1qgb n GLU 57 N -0.19 0.00 0.00 0.00 2.13 0.15 -4.88 120.64 117.85 1qgb n GLU 57 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1qgb n GLU 57 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1qgb n GLU 57 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1qgb n SER 58 N -0.08 0.00 -4.53 4.31 3.41 -1.26 -4.67 113.62 110.80 1qgb n SER 58 Ca 0.00 0.00 -0.64 0.00 -0.26 0.00 0.00 58.87 57.97 1qgb n SER 58 Cb 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 63.84 1qgb n SER 58 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1qgb n LYS 59 N -0.45 0.00 -0.23 4.33 3.00 -1.19 -4.39 118.16 119.23 1qgb n LYS 59 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 58.31 58.07 1qgb n LYS 59 Cb 0.00 -1.49 0.23 0.00 0.00 0.00 0.00 35.03 33.78 1qgb n LYS 59 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1qgb n PRO 60 N 5.25 -4.21 -0.01 1.64 -0.04 -1.26 -5.03 135.00 131.34 1qgb n PRO 60 Ca 0.40 -1.19 -0.03 0.00 -0.04 0.00 0.00 63.50 62.64 1qgb n PRO 60 Cb -0.05 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 31.89 1qgb n PRO 60 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1qgb n GLU 61 N -5.00 0.17 -3.80 0.54 4.07 -1.26 -5.13 120.64 110.23 1qgb n GLU 61 Ca 0.11 0.07 -0.08 0.00 -0.06 0.00 0.00 57.16 57.20 1qgb n GLU 61 Cb 0.48 -0.72 -0.02 0.00 -0.06 0.00 0.00 31.44 31.12 1qgb n GLU 61 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1qgb s ALA 62 N -2.46 -1.18 -0.18 4.31 0.00 -1.26 -4.99 121.76 115.99 1qgb s ALA 62 Ca -0.09 -0.24 -0.01 0.00 0.00 0.00 0.00 51.96 51.62 1qgb s ALA 62 Cb 0.01 0.87 -0.00 0.00 0.00 0.00 0.00 23.12 24.00 1qgb s ALA 62 CO 0.14 -0.98 -0.13 -2.00 0.00 0.00 0.00 175.76 172.80 1qgb s GLU 63 N -3.90 3.24 -0.28 0.00 2.12 -1.26 -4.11 118.70 114.51 1qgb s GLU 63 Ca 0.10 -0.72 -0.24 0.00 0.36 0.00 0.00 54.97 54.47 1qgb s GLU 63 Cb -0.05 -2.73 0.10 0.00 0.26 0.00 0.00 34.13 31.71 1qgb s GLU 63 CO 0.04 -0.07 0.87 -2.00 -0.54 0.00 0.00 175.26 173.55 1qgb s GLU 64 N 1.06 0.67 0.93 4.30 2.12 -1.26 -4.99 118.70 121.53 1qgb s GLU 64 Ca -0.00 0.82 -0.15 0.00 0.36 0.00 0.00 54.97 56.00 1qgb s GLU 64 Cb -0.15 0.32 0.23 0.00 0.26 0.00 0.00 34.13 34.79 1qgb s GLU 64 CO -0.03 -0.08 0.52 0.25 -0.54 0.00 0.00 175.26 175.38 1qgb n THR 65 N 2.56 0.00 -4.31 -1.70 -2.24 -1.26 -3.97 114.28 103.36 1qgb n THR 65 Ca -0.14 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.39 1qgb n THR 65 Cb 0.56 -0.60 -0.09 0.00 -2.10 0.00 0.00 70.33 68.10 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 -1.94 3.51 -0.89 0.00 5.36 -1.26 -2.51 117.98 120.25 1qgb s PHE 67 Ca 0.27 -2.82 -0.25 0.00 -0.96 0.00 0.00 56.93 53.17 1qgb s PHE 67 Cb -0.08 -3.19 -0.18 0.00 -0.34 0.00 0.00 43.02 39.23 1qgb s PHE 67 CO 0.16 -0.80 2.27 -3.47 -1.46 0.00 0.00 175.22 171.92 1qgb n ASP 68 N 3.14 1.44 -0.49 6.13 -0.08 -1.19 -4.72 116.55 120.79 1qgb n ASP 68 Ca 0.12 -1.85 0.42 0.00 -1.51 0.00 0.00 54.79 51.97 1qgb n ASP 68 Cb 0.37 -1.64 0.68 0.00 2.34 0.00 0.00 41.12 42.88 1qgb n ASP 68 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 1qgb h LYS 69 N 12.19 0.00 0.00 -0.67 2.10 -1.95 0.22 116.57 128.46 1qgb h LYS 69 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1qgb h LYS 69 Cb 1.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.33 1qgb h LYS 69 CO 1.02 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 179.13 1qgb n TYR 70 N -3.70 0.00 -1.09 0.07 4.01 -1.26 -3.18 117.16 112.00 1qgb n TYR 70 Ca 0.35 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 58.18 1qgb n TYR 70 Cb 1.76 -0.36 0.17 0.00 -0.31 0.00 0.00 39.34 40.60 1qgb n TYR 70 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1qgb n THR 71 N -2.45 2.02 -3.53 -0.72 -1.04 -0.88 -4.99 114.28 102.69 1qgb n THR 71 Ca 0.00 -2.25 -0.21 0.00 -2.04 0.00 0.00 64.05 59.56 1qgb n THR 71 Cb 0.00 -0.25 0.06 0.00 -1.82 0.00 0.00 70.33 68.32 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 -1.20 -0.65 0.00 3.41 0.00 0.01 -5.01 105.19 101.75 1qgb n GLY 72 Ca 0.18 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.49 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 -3.05 0.84 -3.75 1.61 3.02 -1.19 -4.93 115.26 107.81 1qgb n ASN 73 Ca -0.21 -0.29 -0.13 0.00 -0.03 0.00 0.00 54.58 53.93 1qgb n ASN 73 Cb 0.65 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.69 1qgb n ASN 73 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1qgb s THR 74 N 1.17 -0.03 -0.10 3.41 2.01 -1.26 -3.20 115.64 117.65 1qgb s THR 74 Ca 0.00 0.11 0.03 0.00 0.31 0.00 0.00 61.69 62.14 1qgb s THR 74 Cb 0.00 -0.34 0.01 0.00 0.01 0.00 0.00 72.50 72.18 1qgb s THR 74 CO 0.00 0.04 -0.19 -0.31 -0.69 0.00 0.00 174.62 173.47 1qgb s TYR 75 N 0.90 2.18 0.20 4.92 1.51 -1.04 -4.94 117.35 121.08 1qgb s TYR 75 Ca -0.06 -0.93 -0.30 0.00 -1.01 0.00 0.00 57.07 54.77 1qgb s TYR 75 Cb -0.08 -1.50 -0.16 0.00 -0.11 0.00 0.00 41.96 40.11 1qgb s TYR 75 CO -0.06 -0.41 0.91 0.54 -1.11 0.00 0.00 175.55 175.42 1qgb n ARG 76 N 3.78 0.76 0.14 -0.62 5.12 -1.26 -1.84 116.66 122.73 1qgb n ARG 76 Ca -0.20 0.27 0.12 0.00 -1.93 0.00 0.00 57.85 56.11 1qgb n ARG 76 Cb 0.52 -1.57 0.26 0.00 -1.16 0.00 0.00 32.46 30.51 1qgb n ARG 76 CO 0.00 0.00 0.00 -0.24 -1.93 0.00 0.00 177.63 175.46 1qgb h VAL 77 N 1.97 0.00 -0.63 1.55 3.04 -1.84 -3.22 116.25 117.11 1qgb h VAL 77 Ca -0.38 -0.70 0.00 0.00 -1.01 0.00 0.00 66.70 64.61 1qgb h VAL 77 Cb 1.38 1.60 0.00 0.00 -2.01 0.00 0.00 31.29 32.26 1qgb h VAL 77 CO 0.63 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.80 1qgb n GLY 78 N 1.23 2.44 3.11 3.17 0.00 -1.26 -4.83 105.19 109.04 1qgb n GLY 78 Ca 0.04 -0.72 -0.08 0.00 0.00 0.00 0.00 46.02 45.26 1qgb n GLY 78 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qgb s ASP 79 N -1.05 0.70 0.20 1.61 1.11 -1.22 -5.15 116.67 112.87 1qgb s ASP 79 Ca 0.44 -0.97 0.02 0.00 0.18 0.00 0.00 52.55 52.22 1qgb s ASP 79 Cb 0.23 0.16 0.02 0.00 1.07 0.00 0.00 42.92 44.40 1qgb s ASP 79 CO 0.30 -0.53 0.19 0.35 1.18 0.00 0.00 175.17 176.66 1qgb n THR 80 N 0.17 0.00 -3.72 -1.27 -2.24 -1.26 -4.06 114.28 101.89 1qgb n THR 80 Ca -0.14 -0.74 -0.04 0.00 -2.27 0.00 0.00 64.05 60.86 1qgb n THR 80 Cb 0.60 -0.50 0.02 0.00 -2.10 0.00 0.00 70.33 68.35 1qgb n THR 80 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qgb n TYR 81 N -1.12 -1.59 -3.72 4.78 4.11 -1.04 -4.98 117.16 113.60 1qgb n TYR 81 Ca 0.01 -1.21 -0.27 0.00 -0.00 0.00 0.00 57.90 56.43 1qgb n TYR 81 Cb 0.22 0.60 -0.17 0.00 -0.00 0.00 0.00 39.34 39.99 1qgb n TYR 81 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.86 174.86 1qgb s GLU 82 N -2.05 0.59 -0.60 -3.48 2.12 -1.26 -3.34 118.70 110.67 1qgb s GLU 82 Ca 0.16 -0.36 -0.11 0.00 0.36 0.00 0.00 54.97 55.02 1qgb s GLU 82 Cb -0.03 -2.03 0.15 0.00 0.26 0.00 0.00 34.13 32.49 1qgb s GLU 82 CO 0.07 -0.63 0.50 0.50 -0.54 0.00 0.00 175.26 175.16 1qgb s ARG 83 N 1.89 2.88 -1.07 4.30 6.06 -1.25 -5.01 118.95 126.76 1qgb s ARG 83 Ca -0.00 -2.05 -0.23 0.00 -2.50 0.00 0.00 55.73 50.94 1qgb s ARG 83 Cb -0.17 -4.10 -0.07 0.00 0.06 0.00 0.00 34.95 30.67 1qgb s ARG 83 CO -0.08 -1.24 1.94 -1.25 -2.50 0.00 0.00 175.30 172.17 1qgb s PRO 84 N 0.89 2.52 -0.05 5.12 0.04 -1.26 -4.18 135.00 138.08 1qgb s PRO 84 Ca 0.10 -0.80 -0.12 0.00 0.04 0.00 0.00 61.00 60.22 1qgb s PRO 84 Cb -0.22 -5.17 -0.05 0.00 0.04 0.00 0.00 34.50 29.10 1qgb s PRO 84 CO -0.02 -3.73 0.31 0.15 0.04 0.00 0.00 177.00 173.74 1qgb s LYS 85 N 6.69 3.77 1.01 4.56 1.02 -1.16 -4.96 119.74 130.68 1qgb s LYS 85 Ca 0.69 0.20 0.00 0.00 0.02 0.00 0.00 55.97 56.88 1qgb s LYS 85 Cb -0.03 -3.22 0.00 0.00 -0.52 0.00 0.00 37.83 34.06 1qgb s LYS 85 CO 0.07 0.69 0.00 -3.47 -0.92 0.00 0.00 175.35 171.73 1qgb n ASP 86 N 1.99 -0.75 -3.49 2.83 -0.08 -1.26 -2.80 116.55 112.99 1qgb n ASP 86 Ca -0.16 0.00 -0.40 0.00 -1.51 0.00 0.00 54.79 52.72 1qgb n ASP 86 Cb 0.53 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.98 1qgb n ASP 86 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1qgb n SER 87 N -3.68 7.35 0.00 1.67 2.88 -1.26 -4.80 113.62 115.78 1qgb n SER 87 Ca 0.00 -2.84 0.00 0.00 -1.33 0.00 0.00 58.87 54.70 1qgb n SER 87 Cb 0.00 -1.51 0.00 0.00 -0.75 0.00 0.00 64.21 61.95 1qgb n SER 87 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 175.04 174.61 1qgb n MET 88 N 3.49 0.00 -4.21 -1.46 0.00 -1.12 -5.18 117.12 108.63 1qgb n MET 88 Ca 0.65 0.00 -0.24 0.00 0.00 0.00 0.00 57.70 58.11 1qgb n MET 88 Cb 0.28 0.00 -0.07 0.00 0.00 0.00 0.00 33.22 33.43 1qgb n MET 88 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 1qgb s ILE 89 N -1.96 3.81 -0.09 1.12 1.01 -1.26 -2.99 121.20 120.84 1qgb s ILE 89 Ca 0.00 -1.59 -0.06 0.00 0.00 0.00 0.00 60.65 59.00 1qgb s ILE 89 Cb 0.00 -2.99 0.04 0.00 0.01 0.00 0.00 42.46 39.51 1qgb s ILE 89 CO 0.00 -0.26 0.22 0.26 0.00 0.00 0.00 174.94 175.16 1qgb s TRP 90 N -2.04 -0.27 -0.98 3.97 0.52 -1.26 -4.06 118.94 114.81 1qgb s TRP 90 Ca 0.30 0.67 -0.10 0.00 0.02 0.00 0.00 56.10 56.99 1qgb s TRP 90 Cb -0.08 0.05 -0.07 0.00 -1.15 0.00 0.00 33.47 32.21 1qgb s TRP 90 CO 0.21 -0.18 2.16 -3.47 0.02 0.00 0.00 176.95 175.68 1qgb n ASP 91 N 3.71 4.70 -4.65 2.95 2.03 0.63 -3.74 116.55 122.19 1qgb n ASP 91 Ca -0.20 -2.45 -0.39 0.00 0.52 0.00 0.00 54.79 52.26 1qgb n ASP 91 Cb 0.55 -1.18 0.03 0.00 -0.72 0.00 0.00 41.12 39.81 1qgb n ASP 91 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1qgb s THR 93 N -1.35 0.01 -0.51 0.00 2.01 -0.02 -2.48 115.64 113.30 1qgb s THR 93 Ca 0.69 -0.10 -0.04 0.00 0.31 0.00 0.00 61.69 62.55 1qgb s THR 93 Cb -0.47 -0.24 -0.03 0.00 0.01 0.00 0.00 72.50 71.77 1qgb s THR 93 CO 0.52 -0.05 1.62 0.00 -0.69 0.00 0.00 174.62 176.02 1qgb s ILE 95 N 4.15 3.49 0.00 0.00 1.01 -1.26 -4.68 121.20 123.90 1qgb s ILE 95 Ca 0.23 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 60.05 1qgb s ILE 95 Cb 0.06 -4.52 0.00 0.00 0.01 0.00 0.00 42.46 38.01 1qgb s ILE 95 CO -0.01 -0.89 0.00 0.61 0.00 0.00 0.00 174.94 174.65 1qgb n GLY 96 N 5.83 0.96 3.02 6.18 0.00 -1.26 0.25 105.19 120.17 1qgb n GLY 96 Ca 0.44 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.31 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 -2.83 0.00 4.61 0.00 -1.25 0.73 120.51 118.76 1qgb n ALA 97 Ca 0.00 0.96 0.00 0.00 0.00 0.00 0.00 53.44 54.40 1qgb n ALA 97 Cb 0.00 -3.39 0.00 0.00 0.00 0.00 0.00 19.45 16.06 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 -0.30 1.68 2.65 0.00 0.00 -1.26 -4.11 105.19 103.86 1qgb n GLY 98 Ca 0.07 -0.10 -0.03 0.00 0.00 0.00 0.00 46.02 45.95 1qgb n GLY 98 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qgb n ARG 99 N 0.00 0.04 0.01 1.61 1.74 -1.20 -5.03 116.66 113.83 1qgb n ARG 99 Ca 0.00 -0.56 -0.05 0.00 -0.77 0.00 0.00 57.85 56.47 1qgb n ARG 99 Cb 0.00 -0.05 -0.11 0.00 -1.02 0.00 0.00 32.46 31.28 1qgb n ARG 99 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1qgb h GLY 100 N 2.37 0.00 -4.11 -0.13 0.00 0.33 -3.48 103.07 98.05 1qgb h GLY 100 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1qgb h GLY 100 CO -0.10 0.00 -0.90 -2.13 0.00 0.00 0.00 176.54 173.41 1qgb n ARG 101 N -3.01 -3.26 -1.26 4.80 0.00 0.70 -4.71 116.66 109.93 1qgb n ARG 101 Ca -0.13 2.58 -0.49 0.00 -0.00 0.00 0.00 57.85 59.81 1qgb n ARG 101 Cb 0.95 -3.56 -0.07 0.00 0.00 0.00 0.00 32.46 29.78 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 1.18 0.00 -4.10 5.15 -0.00 -0.97 -4.53 119.36 116.08 1qgb n ILE 102 Ca -0.17 0.00 -0.23 0.00 -0.00 0.00 0.00 62.75 62.36 1qgb n ILE 102 Cb 0.26 -0.07 -0.06 0.00 -0.00 0.00 0.00 39.64 39.77 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 0.40 4.87 -0.23 4.38 0.15 -1.00 -4.86 113.70 117.41 1qgb s SER 103 Ca 0.76 -0.62 -0.08 0.00 0.70 0.00 0.00 55.95 56.71 1qgb s SER 103 Cb -1.07 -0.90 0.10 0.00 -1.71 0.00 0.00 66.02 62.45 1qgb s SER 103 CO 0.50 -0.19 0.49 0.00 1.20 0.00 0.00 173.24 175.23 1qgb s THR 105 N 2.70 0.62 -0.85 0.00 2.01 -1.26 -4.85 115.64 114.00 1qgb s THR 105 Ca -0.03 -0.10 -0.25 0.00 0.31 0.00 0.00 61.69 61.62 1qgb s THR 105 Cb -0.12 -0.68 -0.17 0.00 0.01 0.00 0.00 72.50 71.55 1qgb s THR 105 CO -0.15 0.27 2.32 -0.38 -0.69 0.00 0.00 174.62 176.00 1qgb n ILE 106 N 4.56 0.00 -4.40 1.82 -0.00 -1.26 -0.27 119.36 119.81 1qgb n ILE 106 Ca -0.16 -0.39 -0.34 0.00 -0.00 0.00 0.00 62.75 61.86 1qgb n ILE 106 Cb 0.50 -1.88 -0.10 0.00 -0.00 0.00 0.00 39.64 38.17 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 14.62 3.20 0.10 -1.39 0.00 -1.26 -4.92 121.76 132.11 1qgb s ALA 107 Ca 0.91 -0.89 -0.30 0.00 0.00 0.00 0.00 51.96 51.68 1qgb s ALA 107 Cb -0.14 -1.35 -0.06 0.00 0.00 0.00 0.00 23.12 21.57 1qgb s ALA 107 CO 0.13 0.61 0.97 1.21 0.00 0.00 0.00 175.76 178.68 1qgb s ASN 108 N -1.14 7.47 0.00 0.00 3.84 -1.26 -4.69 114.94 119.16 1qgb s ASN 108 Ca 0.16 1.80 0.01 0.00 0.21 0.00 0.00 52.86 55.03 1qgb s ASN 108 Cb -0.11 -2.59 0.01 0.00 -0.55 0.00 0.00 41.25 38.01 1qgb s ASN 108 CO 0.05 -0.10 0.54 -1.14 -2.79 0.00 0.00 177.10 173.66