#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qgb s LEU 12 N 0.00 0.69 0.04 1.53 2.96 -1.26 -0.62 118.68 122.02 2qgb s LEU 12 Ca 0.00 -0.02 0.03 0.00 -0.22 0.00 0.00 54.13 53.92 2qgb s LEU 12 Cb 0.00 -0.29 -0.02 0.00 0.50 0.00 0.00 46.19 46.38 2qgb s LEU 12 CO 0.00 -0.17 -0.10 -0.32 -1.32 0.00 0.00 176.35 174.44 2qgb s MET 13 N 1.67 0.65 -0.06 1.98 -2.45 -0.29 -4.42 119.30 116.38 2qgb s MET 13 Ca -0.01 -0.72 0.05 0.00 -1.25 0.00 0.00 55.69 53.77 2qgb s MET 13 Cb -0.13 -0.53 -0.01 0.00 1.25 0.00 0.00 34.83 35.41 2qgb s MET 13 CO -0.03 0.12 -0.22 0.08 1.05 0.00 0.00 175.02 176.01 2qgb s VAL 14 N -1.09 1.85 -0.06 10.11 1.01 -1.01 -0.87 120.40 130.35 2qgb s VAL 14 Ca -0.05 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.01 2qgb s VAL 14 Cb -0.08 -1.58 0.01 0.00 0.00 0.00 0.00 36.38 34.73 2qgb s VAL 14 CO 0.01 0.52 -0.12 -0.75 0.00 0.00 0.00 175.10 174.76 2qgb s LYS 15 N 0.00 1.57 -0.06 2.72 2.20 -0.32 -0.72 119.74 125.13 2qgb s LYS 15 Ca -0.06 -0.39 0.02 0.00 -0.36 0.00 0.00 55.97 55.17 2qgb s LYS 15 Cb -0.14 -1.33 0.01 0.00 -1.51 0.00 0.00 37.83 34.87 2qgb s LYS 15 CO 0.04 0.04 -0.11 0.08 -0.36 0.00 0.00 175.35 175.04 2qgb s VAL 16 N 0.60 1.06 0.18 4.02 1.01 0.15 -0.85 120.40 126.57 2qgb s VAL 16 Ca -0.13 -0.43 0.10 0.00 0.00 0.00 0.00 61.98 61.53 2qgb s VAL 16 Cb -0.15 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 2qgb s VAL 16 CO 0.03 0.34 -0.22 -0.76 0.00 0.00 0.00 175.10 174.49 2qgb s LEU 17 N 0.71 2.42 -0.30 3.92 1.43 -0.08 -0.92 118.68 125.86 2qgb s LEU 17 Ca -0.14 -0.85 -0.04 0.00 -1.03 0.00 0.00 54.13 52.07 2qgb s LEU 17 Cb -0.16 -1.07 0.04 0.00 0.03 0.00 0.00 46.19 45.03 2qgb s LEU 17 CO 0.03 0.08 0.03 -0.62 0.23 0.00 0.00 176.35 176.10 2qgb s ASP 18 N -2.61 4.95 0.15 2.29 -1.08 0.54 -0.66 116.67 120.24 2qgb s ASP 18 Ca 0.18 -1.07 0.25 0.00 -0.52 0.00 0.00 52.55 51.40 2qgb s ASP 18 Cb -0.08 -1.78 0.93 0.00 -1.46 0.00 0.00 42.92 40.53 2qgb s ASP 18 CO 0.09 -0.24 1.76 0.00 0.52 0.00 0.00 175.17 177.30 2qgb n ALA 19 N 4.73 2.09 -0.00 3.66 0.00 -0.01 -0.94 120.51 130.04 2qgb n ALA 19 Ca -0.14 -0.02 -0.20 0.00 0.00 0.00 0.00 53.44 53.09 2qgb n ALA 19 Cb 0.45 -1.43 -0.14 0.00 0.00 0.00 0.00 19.45 18.34 2qgb n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2qgb h VAL 20 N 0.00 1.31 0.00 0.00 2.07 -1.95 -3.38 116.25 114.30 2qgb h VAL 20 Ca 0.00 -2.42 0.00 0.00 0.82 0.00 0.00 66.70 65.10 2qgb h VAL 20 Cb 0.55 2.94 0.00 0.00 -1.52 0.00 0.00 31.29 33.26 2qgb h VAL 20 CO 0.00 0.65 -1.08 0.54 0.02 0.00 0.00 177.57 177.70 2qgb n ARG 21 N -4.16 0.21 -2.80 1.57 1.74 -1.24 -5.00 116.66 106.98 2qgb n ARG 21 Ca -0.19 -0.02 -0.09 0.00 -0.77 0.00 0.00 57.85 56.77 2qgb n ARG 21 Cb 0.78 -1.48 0.05 0.00 -1.02 0.00 0.00 32.46 30.79 2qgb n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qgb n GLY 22 N 1.47 0.00 3.27 -0.13 0.00 -0.11 -5.03 105.19 104.66 2qgb n GLY 22 Ca 0.03 -0.16 -0.09 0.00 0.00 0.00 0.00 46.02 45.80 2qgb n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qgb s SER 23 N -3.73 0.10 0.69 1.61 1.04 -1.02 -5.00 113.70 107.39 2qgb s SER 23 Ca 0.01 -0.84 -0.17 0.00 0.48 0.00 0.00 55.95 55.44 2qgb s SER 23 Cb -0.00 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.50 2qgb s SER 23 CO 0.40 -0.82 1.12 -2.65 0.98 0.00 0.00 173.24 172.28 2qgb n PRO 24 N -0.15 0.75 -3.26 4.02 -0.02 -1.26 -0.34 135.00 134.74 2qgb n PRO 24 Ca -0.10 0.31 -0.44 0.00 -2.02 0.00 0.00 63.50 61.26 2qgb n PRO 24 Cb 0.63 -2.36 -0.07 0.00 -0.02 0.00 0.00 33.50 31.67 2qgb n PRO 24 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qgb s ALA 25 N -1.65 3.44 0.07 3.55 0.00 -0.10 -4.55 121.76 122.51 2qgb s ALA 25 Ca 0.78 -1.74 -0.09 0.00 0.00 0.00 0.00 51.96 50.91 2qgb s ALA 25 Cb -0.36 -3.20 -0.05 0.00 0.00 0.00 0.00 23.12 19.51 2qgb s ALA 25 CO 0.46 -1.81 0.36 0.42 0.00 0.00 0.00 175.76 175.19 2qgb s ILE 26 N 2.26 5.15 -1.53 0.00 1.01 -1.26 -4.36 121.20 122.47 2qgb s ILE 26 Ca 0.12 0.35 -0.04 0.00 0.00 0.00 0.00 60.65 61.08 2qgb s ILE 26 Cb -0.20 -3.62 0.00 0.00 0.01 0.00 0.00 42.46 38.65 2qgb s ILE 26 CO 0.11 0.29 0.52 0.59 0.00 0.00 0.00 174.94 176.46 2qgb n ASN 27 N 0.90 -5.98 -4.70 3.58 3.02 -0.36 -4.94 115.26 106.78 2qgb n ASN 27 Ca -0.08 -0.25 -0.40 0.00 -0.03 0.00 0.00 54.58 53.82 2qgb n ASN 27 Cb 0.52 -4.82 -0.05 0.00 -0.61 0.00 0.00 39.78 34.83 2qgb n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2qgb s VAL 28 N -3.15 5.05 0.16 2.41 1.01 -1.26 -4.76 120.40 119.87 2qgb s VAL 28 Ca 0.26 1.35 -0.30 0.00 0.00 0.00 0.00 61.98 63.29 2qgb s VAL 28 Cb -0.11 -4.00 -0.07 0.00 0.00 0.00 0.00 36.38 32.19 2qgb s VAL 28 CO 0.32 0.22 1.07 0.00 0.00 0.00 0.00 175.10 176.71 2qgb s ALA 29 N 1.08 3.35 -0.05 5.51 0.00 -1.26 -1.04 121.76 129.33 2qgb s ALA 29 Ca 0.35 0.76 0.01 0.00 0.00 0.00 0.00 51.96 53.08 2qgb s ALA 29 Cb -0.17 -3.34 0.02 0.00 0.00 0.00 0.00 23.12 19.63 2qgb s ALA 29 CO 0.15 -0.17 -0.06 0.08 0.00 0.00 0.00 175.76 175.76 2qgb s VAL 30 N -0.17 0.67 -0.06 0.00 1.01 -0.12 -0.88 120.40 120.86 2qgb s VAL 30 Ca 0.49 -0.19 0.05 0.00 0.00 0.00 0.00 61.98 62.33 2qgb s VAL 30 Cb -0.28 -0.68 -0.00 0.00 0.00 0.00 0.00 36.38 35.42 2qgb s VAL 30 CO 0.34 0.26 -0.21 -1.00 0.00 0.00 0.00 175.10 174.49 2qgb s HIS 31 N 0.96 2.14 -0.10 5.22 3.76 0.19 -1.24 115.29 126.22 2qgb s HIS 31 Ca -0.10 -0.71 -0.00 0.00 -0.15 0.00 0.00 55.06 54.09 2qgb s HIS 31 Cb -0.14 -1.43 -0.03 0.00 1.11 0.00 0.00 32.58 32.09 2qgb s HIS 31 CO 0.00 -0.26 -0.08 0.08 -0.85 0.00 0.00 174.74 173.64 2qgb s VAL 32 N 0.11 3.60 0.13 -0.90 1.01 0.15 0.32 120.40 124.82 2qgb s VAL 32 Ca -0.09 -0.50 0.08 0.00 0.00 0.00 0.00 61.98 61.48 2qgb s VAL 32 Cb -0.14 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 2qgb s VAL 32 CO 0.05 0.56 -0.19 -0.36 0.00 0.00 0.00 175.10 175.15 2qgb s PHE 33 N -0.33 1.77 -0.02 5.22 0.40 0.55 -0.94 117.98 124.63 2qgb s PHE 33 Ca 0.05 -0.45 0.07 0.00 -0.60 0.00 0.00 56.93 56.00 2qgb s PHE 33 Cb -0.13 -0.93 -0.02 0.00 0.51 0.00 0.00 43.02 42.45 2qgb s PHE 33 CO 0.02 0.25 -0.21 0.50 0.70 0.00 0.00 175.22 176.48 2qgb s ARG 34 N -2.29 2.22 -0.09 0.44 3.52 -0.13 -0.99 118.95 121.63 2qgb s ARG 34 Ca 0.10 -0.87 -0.30 0.00 -0.13 0.00 0.00 55.73 54.53 2qgb s ARG 34 Cb -0.08 -2.16 -0.02 0.00 -1.56 0.00 0.00 34.95 31.12 2qgb s ARG 34 CO 0.05 0.58 1.18 0.21 -0.81 0.00 0.00 175.30 176.51 2qgb s LYS 35 N -0.76 4.33 0.70 5.12 2.20 0.11 -0.92 119.74 130.52 2qgb s LYS 35 Ca 0.11 1.62 -0.08 0.00 -0.36 0.00 0.00 55.97 57.26 2qgb s LYS 35 Cb -0.10 -3.60 0.05 0.00 -1.51 0.00 0.00 37.83 32.67 2qgb s LYS 35 CO 0.00 -0.49 1.04 0.00 -0.36 0.00 0.00 175.35 175.54 2qgb s ALA 36 N 2.46 3.05 0.43 3.13 0.00 0.24 -4.76 121.76 126.31 2qgb s ALA 36 Ca 0.54 -0.73 0.10 0.00 0.00 0.00 0.00 51.96 51.87 2qgb s ALA 36 Cb -0.23 -2.74 0.95 0.00 0.00 0.00 0.00 23.12 21.11 2qgb s ALA 36 CO 0.19 -1.24 2.04 0.00 0.00 0.00 0.00 175.76 176.75 2qgb h ALA 37 N -0.61 1.84 0.00 0.00 0.00 -1.95 0.82 119.26 119.36 2qgb h ALA 37 Ca -0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2qgb h ALA 37 Cb 1.30 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2qgb h ALA 37 CO 0.62 0.10 0.00 -0.40 0.00 0.00 0.00 179.25 179.57 2qgb n ASP 38 N -4.48 0.00 0.00 0.00 5.68 -1.26 -4.91 116.55 111.58 2qgb n ASP 38 Ca 0.05 -1.77 0.00 0.00 -0.50 0.00 0.00 54.79 52.57 2qgb n ASP 38 Cb 0.17 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.15 2qgb n ASP 38 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 2qgb n ASP 39 N -0.60 -2.94 -4.91 -1.12 8.00 0.28 -5.03 116.55 110.23 2qgb n ASP 39 Ca 0.05 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.28 2qgb n ASP 39 Cb 0.02 -1.01 0.02 0.00 -0.02 0.00 0.00 41.12 40.13 2qgb n ASP 39 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2qgb s THR 40 N -2.09 4.23 -0.33 -3.53 -4.23 -1.26 -4.80 115.64 103.64 2qgb s THR 40 Ca 0.00 0.07 -0.16 0.00 -1.18 0.00 0.00 61.69 60.43 2qgb s THR 40 Cb 0.00 -3.64 -0.02 0.00 1.34 0.00 0.00 72.50 70.18 2qgb s THR 40 CO 0.00 -0.64 0.40 0.26 -0.54 0.00 0.00 174.62 174.10 2qgb s TRP 41 N -2.86 3.21 -0.13 3.99 0.52 -1.26 -0.59 118.94 121.81 2qgb s TRP 41 Ca 0.51 0.14 -0.06 0.00 0.02 0.00 0.00 56.10 56.71 2qgb s TRP 41 Cb -0.10 -2.71 -0.04 0.00 -1.15 0.00 0.00 33.47 29.47 2qgb s TRP 41 CO 0.45 -0.41 0.07 -1.83 0.02 0.00 0.00 176.95 175.25 2qgb s GLU 42 N 2.12 3.51 0.28 4.98 -1.05 -0.10 -4.89 118.70 123.54 2qgb s GLU 42 Ca 0.14 -0.30 -0.29 0.00 -0.15 0.00 0.00 54.97 54.38 2qgb s GLU 42 Cb -0.16 -3.08 -0.14 0.00 -0.44 0.00 0.00 34.13 30.31 2qgb s GLU 42 CO 0.12 0.56 1.08 -2.30 0.95 0.00 0.00 175.26 175.67 2qgb n PRO 43 N 2.64 1.46 0.00 -4.83 -0.02 -1.26 -0.95 135.00 132.03 2qgb n PRO 43 Ca -0.18 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 2qgb n PRO 43 Cb 0.53 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 2qgb n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2qgb n PHE 44 N 0.48 0.00 -3.53 6.00 7.35 -0.11 -4.75 117.46 122.89 2qgb n PHE 44 Ca 0.10 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.69 2qgb n PHE 44 Cb 0.32 0.09 -0.03 0.00 0.35 0.00 0.00 39.48 40.20 2qgb n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2qgb s ALA 45 N -1.85 -1.86 0.24 3.13 0.00 -0.99 -5.00 121.76 115.42 2qgb s ALA 45 Ca 0.00 1.22 -0.19 0.00 0.00 0.00 0.00 51.96 53.00 2qgb s ALA 45 Cb 0.00 0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.18 2qgb s ALA 45 CO 0.00 -0.56 0.61 -1.54 0.00 0.00 0.00 175.76 174.27 2qgb s SER 46 N -2.01 -0.26 0.00 0.00 1.04 -1.26 0.29 113.70 111.50 2qgb s SER 46 Ca 0.03 -0.57 0.00 0.00 0.48 0.00 0.00 55.95 55.88 2qgb s SER 46 Cb -0.01 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.76 2qgb s SER 46 CO -0.05 -1.19 0.00 0.61 0.98 0.00 0.00 173.24 173.59 2qgb n GLY 47 N -0.40 -1.23 3.24 7.32 0.00 -0.37 -4.99 105.19 108.75 2qgb n GLY 47 Ca -0.07 -0.82 -0.28 0.00 0.00 0.00 0.00 46.02 44.86 2qgb n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qgb s LYS 48 N -0.16 1.75 0.65 1.61 -0.14 -1.26 -0.94 119.74 121.24 2qgb s LYS 48 Ca 0.00 -0.78 -0.18 0.00 -1.36 0.00 0.00 55.97 53.65 2qgb s LYS 48 Cb 0.00 -1.70 -0.01 0.00 -1.68 0.00 0.00 37.83 34.44 2qgb s LYS 48 CO 0.00 0.46 1.25 0.95 -0.76 0.00 0.00 175.35 177.25 2qgb s THR 49 N -0.52 2.27 0.62 2.17 -4.23 -0.21 -4.79 115.64 110.96 2qgb s THR 49 Ca 0.08 0.16 -0.07 0.00 -1.18 0.00 0.00 61.69 60.68 2qgb s THR 49 Cb -0.08 -2.99 0.14 0.00 1.34 0.00 0.00 72.50 70.90 2qgb s THR 49 CO -0.01 -0.04 0.85 -1.54 -0.54 0.00 0.00 174.62 173.34 2qgb n SER 50 N -1.98 0.41 0.28 3.99 3.41 0.48 -1.22 113.62 118.99 2qgb n SER 50 Ca 0.15 -1.52 0.18 0.00 -0.26 0.00 0.00 58.87 57.42 2qgb n SER 50 Cb 0.49 -0.62 0.95 0.00 -0.26 0.00 0.00 64.21 64.77 2qgb n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2qgb h GLU 51 N 0.00 0.00 -0.39 4.33 4.39 -1.94 0.67 114.58 121.63 2qgb h GLU 51 Ca -0.28 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.42 2qgb h GLU 51 Cb 0.85 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.50 2qgb h GLU 51 CO 0.23 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.95 2qgb n SER 52 N -3.37 2.85 -0.02 1.42 3.41 -1.26 -4.81 113.62 111.85 2qgb n SER 52 Ca -0.01 -1.93 -0.00 0.00 -0.26 0.00 0.00 58.87 56.67 2qgb n SER 52 Cb 0.25 -0.26 -0.00 0.00 -0.26 0.00 0.00 64.21 63.94 2qgb n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qgb n GLY 53 N 1.37 0.47 3.61 5.00 0.00 0.23 -4.78 105.19 111.10 2qgb n GLY 53 Ca 0.18 -0.24 -0.27 0.00 0.00 0.00 0.00 46.02 45.70 2qgb n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qgb s GLU 54 N -0.54 2.23 -0.21 1.61 2.02 -1.26 -0.68 118.70 121.87 2qgb s GLU 54 Ca 0.00 -1.17 -0.02 0.00 0.02 0.00 0.00 54.97 53.79 2qgb s GLU 54 Cb 0.00 -2.26 0.06 0.00 0.10 0.00 0.00 34.13 32.03 2qgb s GLU 54 CO 0.00 0.45 0.03 -1.17 0.02 0.00 0.00 175.26 174.59 2qgb s LEU 55 N -2.84 1.42 0.35 1.80 2.96 0.10 -0.39 118.68 122.09 2qgb s LEU 55 Ca 0.26 -0.92 0.08 0.00 -0.22 0.00 0.00 54.13 53.33 2qgb s LEU 55 Cb -0.09 -0.69 -0.03 0.00 0.50 0.00 0.00 46.19 45.88 2qgb s LEU 55 CO 0.17 -0.30 0.26 -1.00 -1.32 0.00 0.00 176.35 174.16 2qgb s HIS 56 N 1.79 2.81 -0.33 5.38 3.76 -1.26 -2.39 115.29 125.05 2qgb s HIS 56 Ca -0.01 -0.36 0.00 0.00 -0.15 0.00 0.00 55.06 54.54 2qgb s HIS 56 Cb -0.17 -1.82 0.00 0.00 1.11 0.00 0.00 32.58 31.70 2qgb s HIS 56 CO -0.09 0.18 0.00 0.41 -0.85 0.00 0.00 174.74 174.39 2qgb n GLY 57 N -1.34 0.62 0.32 -2.22 0.00 -1.26 -4.92 105.19 96.40 2qgb n GLY 57 Ca -0.01 -0.66 -0.05 0.00 0.00 0.00 0.00 46.02 45.31 2qgb n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2qgb h LEU 58 N 0.00 0.94 0.00 0.99 3.38 -1.85 -3.47 115.31 115.30 2qgb h LEU 58 Ca -0.06 -0.16 -0.12 0.00 0.09 0.00 0.00 57.88 57.62 2qgb h LEU 58 Cb 0.25 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2qgb h LEU 58 CO 0.09 0.88 0.06 1.07 0.09 0.00 0.00 178.44 180.63 2qgb n THR 59 N -4.27 0.00 -4.41 0.22 5.66 -1.26 -4.79 114.28 105.42 2qgb n THR 59 Ca 0.05 -1.14 -0.21 0.00 -3.05 0.00 0.00 64.05 59.71 2qgb n THR 59 Cb 0.22 0.86 -0.10 0.00 -1.55 0.00 0.00 70.33 69.76 2qgb n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2qgb s THR 60 N -2.49 1.79 0.27 1.09 -4.23 -1.26 -4.51 115.64 106.30 2qgb s THR 60 Ca 0.18 -2.18 -0.02 0.00 -1.18 0.00 0.00 61.69 58.49 2qgb s THR 60 Cb -0.03 -2.33 0.27 0.00 1.34 0.00 0.00 72.50 71.76 2qgb s THR 60 CO 0.13 -0.39 1.89 -0.33 -0.54 0.00 0.00 174.62 175.38 2qgb h GLU 61 N 2.35 1.12 -0.69 3.99 5.08 -1.99 -1.66 114.58 122.77 2qgb h GLU 61 Ca -0.39 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 57.87 2qgb h GLU 61 Cb 1.23 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 30.20 2qgb h GLU 61 CO 0.65 0.74 0.32 0.93 -1.00 0.00 0.00 179.01 180.66 2qgb h GLU 62 N 1.15 1.00 0.00 2.33 5.08 -2.04 -3.07 114.58 119.03 2qgb h GLU 62 Ca 0.43 -0.15 -0.12 0.00 -1.00 0.00 0.00 59.36 58.51 2qgb h GLU 62 Cb 0.18 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 2qgb h GLU 62 CO -0.17 0.79 -0.59 0.93 -1.00 0.00 0.00 179.01 178.97 2qgb h GLU 63 N 0.96 0.00 -3.37 2.33 5.08 -1.87 -3.40 114.58 114.32 2qgb h GLU 63 Ca 0.24 0.00 -0.76 0.00 -1.00 0.00 0.00 59.36 57.84 2qgb h GLU 63 Cb 0.13 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.23 2qgb h GLU 63 CO -0.03 0.59 2.08 0.34 -1.00 0.00 0.00 179.01 180.99 2qgb n PHE 64 N -3.25 2.86 -1.83 4.33 7.35 -0.66 -4.96 117.46 121.30 2qgb n PHE 64 Ca 0.02 -2.79 -0.30 0.00 -0.76 0.00 0.00 57.45 53.62 2qgb n PHE 64 Cb 0.77 -1.92 0.06 0.00 0.35 0.00 0.00 39.48 38.73 2qgb n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 2qgb s VAL 65 N 0.14 3.31 0.55 -2.13 -7.23 -1.26 -4.97 120.40 108.83 2qgb s VAL 65 Ca 0.41 0.43 -0.20 0.00 -1.81 0.00 0.00 61.98 60.81 2qgb s VAL 65 Cb 0.11 -3.38 -0.06 0.00 0.56 0.00 0.00 36.38 33.61 2qgb s VAL 65 CO -0.01 -0.56 1.06 -0.62 -0.31 0.00 0.00 175.10 174.66 2qgb n GLU 66 N -3.10 1.16 -2.68 4.82 1.02 -1.26 -4.86 120.64 115.74 2qgb n GLU 66 Ca 0.07 0.44 0.00 0.00 -0.02 0.00 0.00 57.16 57.65 2qgb n GLU 66 Cb 0.57 -2.23 0.00 0.00 -0.02 0.00 0.00 31.44 29.76 2qgb n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qgb n GLY 67 N 1.15 -1.21 3.72 0.62 0.00 -1.14 -4.97 105.19 103.37 2qgb n GLY 67 Ca 0.12 -1.50 -0.35 0.00 0.00 0.00 0.00 46.02 44.29 2qgb n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qgb s ILE 68 N -2.09 5.39 0.17 -0.61 1.01 -1.26 -0.72 121.20 123.08 2qgb s ILE 68 Ca 0.00 0.25 0.10 0.00 0.00 0.00 0.00 60.65 61.00 2qgb s ILE 68 Cb 0.00 -3.50 -0.04 0.00 0.01 0.00 0.00 42.46 38.93 2qgb s ILE 68 CO 0.00 0.42 -0.22 -0.31 0.00 0.00 0.00 174.94 174.83 2qgb s TYR 69 N 0.49 2.09 -0.10 3.97 1.51 0.06 -0.71 117.35 124.65 2qgb s TYR 69 Ca 0.09 -0.40 0.02 0.00 -1.01 0.00 0.00 57.07 55.77 2qgb s TYR 69 Cb -0.12 -1.05 0.01 0.00 -0.11 0.00 0.00 41.96 40.69 2qgb s TYR 69 CO -0.00 0.40 -0.15 0.21 -1.11 0.00 0.00 175.55 174.90 2qgb s LYS 70 N -2.59 2.16 -0.30 -0.62 2.20 -0.16 -1.36 119.74 119.08 2qgb s LYS 70 Ca 0.17 -0.55 -0.08 0.00 -0.36 0.00 0.00 55.97 55.15 2qgb s LYS 70 Cb -0.08 -1.81 0.00 0.00 -1.51 0.00 0.00 37.83 34.44 2qgb s LYS 70 CO 0.08 -0.02 0.10 0.08 -0.36 0.00 0.00 175.35 175.23 2qgb s VAL 71 N 0.86 4.15 -0.19 4.02 1.01 0.62 -0.33 120.40 130.53 2qgb s VAL 71 Ca -0.10 -0.59 -0.05 0.00 0.00 0.00 0.00 61.98 61.24 2qgb s VAL 71 Cb -0.15 -3.12 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 2qgb s VAL 71 CO 0.01 0.09 0.00 -0.70 0.00 0.00 0.00 175.10 174.50 2qgb s GLU 72 N 1.54 3.67 -0.18 2.72 2.12 0.15 -0.53 118.70 128.18 2qgb s GLU 72 Ca 0.03 -0.50 -0.03 0.00 0.36 0.00 0.00 54.97 54.84 2qgb s GLU 72 Cb -0.17 -3.07 -0.01 0.00 0.26 0.00 0.00 34.13 31.14 2qgb s GLU 72 CO 0.03 0.08 -0.07 0.42 -0.54 0.00 0.00 175.26 175.18 2qgb s ILE 73 N 0.82 3.33 -1.30 -3.70 1.01 0.10 -0.64 121.20 120.83 2qgb s ILE 73 Ca 0.01 -0.53 -0.13 0.00 0.00 0.00 0.00 60.65 60.00 2qgb s ILE 73 Cb -0.14 -2.47 0.13 0.00 0.01 0.00 0.00 42.46 39.99 2qgb s ILE 73 CO 0.02 0.47 1.79 0.47 0.00 0.00 0.00 174.94 177.68 2qgb n ASP 74 N 4.24 4.88 0.02 3.58 10.43 -0.06 -1.43 116.55 138.22 2qgb n ASP 74 Ca -0.18 -2.99 -0.02 0.00 2.57 0.00 0.00 54.79 54.16 2qgb n ASP 74 Cb 0.52 -1.58 0.23 0.00 1.84 0.00 0.00 41.12 42.12 2qgb n ASP 74 CO 0.00 0.00 0.00 0.71 -1.07 0.00 0.00 177.20 176.84 2qgb h THR 75 N 4.35 1.25 -0.42 -3.53 1.35 -1.87 -3.08 112.91 110.96 2qgb h THR 75 Ca 0.41 -1.15 -0.02 0.00 -0.55 0.00 0.00 66.41 65.11 2qgb h THR 75 Cb 0.74 1.27 -0.02 0.00 -1.73 0.00 0.00 68.15 68.41 2qgb h THR 75 CO 1.53 0.37 0.20 0.50 -0.25 0.00 0.00 175.52 177.87 2qgb h LYS 76 N 0.42 0.60 -0.58 4.72 3.64 -1.74 -1.94 116.57 121.69 2qgb h LYS 76 Ca 0.07 -0.09 -0.07 0.00 -1.27 0.00 0.00 60.65 59.29 2qgb h LYS 76 Cb 0.59 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 2qgb h LYS 76 CO 0.04 0.52 0.06 0.77 -2.27 0.00 0.00 179.45 178.57 2qgb h SER 77 N 0.53 0.91 -0.01 4.20 0.02 -1.86 -1.28 113.55 116.06 2qgb h SER 77 Ca 0.14 -0.21 0.03 0.00 -0.84 0.00 0.00 61.79 60.91 2qgb h SER 77 Cb 0.12 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.38 2qgb h SER 77 CO -0.02 0.93 -0.20 0.22 -1.14 0.00 0.00 176.83 176.63 2qgb h TYR 78 N 0.89 -0.52 -0.39 3.45 3.20 -1.37 -1.59 116.97 120.64 2qgb h TYR 78 Ca 0.18 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.94 2qgb h TYR 78 Cb 0.43 0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.92 2qgb h TYR 78 CO 0.03 -0.28 -0.27 -1.49 -1.64 0.00 0.00 178.16 174.51 2qgb h TRP 79 N -0.31 0.94 -0.29 -3.82 4.06 -1.18 -2.84 115.95 112.51 2qgb h TRP 79 Ca 0.06 -0.23 -0.04 0.00 2.06 0.00 0.00 58.89 60.73 2qgb h TRP 79 Cb 0.39 -0.22 -0.02 0.00 -1.00 0.00 0.00 29.16 28.32 2qgb h TRP 79 CO -0.25 0.99 -0.02 0.87 -3.56 0.00 0.00 178.44 176.48 2qgb h LYS 80 N 0.70 0.44 0.00 0.49 1.57 -1.09 -0.58 116.57 118.10 2qgb h LYS 80 Ca 0.09 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2qgb h LYS 80 Cb 0.80 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.04 2qgb h LYS 80 CO 0.07 0.48 0.00 0.00 -0.57 0.00 0.00 179.45 179.43 2qgb h ALA 81 N 1.57 1.00 -0.37 3.86 0.00 -1.05 -0.91 119.26 123.37 2qgb h ALA 81 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2qgb h ALA 81 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2qgb h ALA 81 CO 0.01 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.54 2qgb n LEU 82 N -3.08 2.45 -1.11 0.00 4.77 -0.43 -4.93 117.00 114.66 2qgb n LEU 82 Ca 0.00 -1.14 -0.11 0.00 -0.03 0.00 0.00 56.01 54.73 2qgb n LEU 82 Cb 0.29 -0.24 -0.03 0.00 -2.33 0.00 0.00 43.42 41.12 2qgb n LEU 82 CO 0.27 0.57 -0.13 0.61 -1.33 0.00 0.00 177.39 177.38 2qgb n GLY 83 N 1.27 0.51 3.39 -0.72 0.00 -0.35 -5.03 105.19 104.26 2qgb n GLY 83 Ca 0.17 -0.45 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 2qgb n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qgb s ILE 84 N -2.50 2.86 -0.28 -0.61 1.01 -0.36 -5.00 121.20 116.33 2qgb s ILE 84 Ca 0.00 -0.76 -0.23 0.00 0.00 0.00 0.00 60.65 59.66 2qgb s ILE 84 Cb 0.00 -2.15 -0.01 0.00 0.01 0.00 0.00 42.46 40.32 2qgb s ILE 84 CO 0.00 0.56 0.76 -0.94 0.00 0.00 0.00 174.94 175.32 2qgb s SER 85 N -0.13 6.69 0.45 3.58 1.04 -1.26 -2.87 113.70 121.20 2qgb s SER 85 Ca -0.02 0.78 0.08 0.00 0.48 0.00 0.00 55.95 57.27 2qgb s SER 85 Cb -0.14 -2.40 0.01 0.00 0.10 0.00 0.00 66.02 63.60 2qgb s SER 85 CO 0.04 -0.53 0.53 -2.16 0.98 0.00 0.00 173.24 172.10 2qgb s PRO 86 N 2.82 2.60 -0.12 4.02 0.04 -1.26 -4.95 135.00 138.14 2qgb s PRO 86 Ca 0.32 -1.46 -0.22 0.00 0.04 0.00 0.00 61.00 59.67 2qgb s PRO 86 Cb -0.15 -2.56 -0.26 0.00 0.04 0.00 0.00 34.50 31.57 2qgb s PRO 86 CO 0.10 -0.37 0.64 0.35 0.04 0.00 0.00 177.00 177.76 2qgb h PHE 87 N 0.71 0.25 -3.62 0.56 3.57 -1.34 -3.48 116.94 113.58 2qgb h PHE 87 Ca -0.39 -0.18 -0.51 0.00 3.53 0.00 0.00 57.97 60.43 2qgb h PHE 87 Cb 1.28 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.99 2qgb h PHE 87 CO 0.49 1.31 0.03 -1.01 -2.23 0.00 0.00 178.31 176.90 2qgb s HIS 88 N -2.36 3.40 0.18 0.41 3.76 -1.26 -4.98 115.29 114.45 2qgb s HIS 88 Ca -0.20 1.07 -0.00 0.00 -0.15 0.00 0.00 55.06 55.78 2qgb s HIS 88 Cb 0.02 -2.43 0.08 0.00 1.11 0.00 0.00 32.58 31.36 2qgb s HIS 88 CO 0.72 0.12 1.45 0.93 -0.85 0.00 0.00 174.74 177.11 2qgb h GLU 89 N 2.16 0.37 -2.12 1.40 4.39 -1.98 -3.38 114.58 115.42 2qgb h GLU 89 Ca -0.47 -0.30 0.22 0.00 0.34 0.00 0.00 59.36 59.14 2qgb h GLU 89 Cb 1.18 0.06 -0.09 0.00 -0.10 0.00 0.00 28.75 29.80 2qgb h GLU 89 CO 0.66 0.94 0.58 -3.38 -1.16 0.00 0.00 179.01 176.65 2qgb s HIS 90 N -3.61 -0.10 -0.10 4.33 -3.43 -1.26 -3.86 115.29 107.26 2qgb s HIS 90 Ca -0.05 -0.16 -0.01 0.00 -0.80 0.00 0.00 55.06 54.04 2qgb s HIS 90 Cb 0.11 0.62 -0.03 0.00 -1.43 0.00 0.00 32.58 31.85 2qgb s HIS 90 CO 0.83 -0.69 -0.06 0.00 -2.00 0.00 0.00 174.74 172.82 2qgb s ALA 91 N -3.03 2.97 -0.06 -1.38 0.00 -0.51 -4.89 121.76 114.85 2qgb s ALA 91 Ca 0.13 -0.87 0.05 0.00 0.00 0.00 0.00 51.96 51.28 2qgb s ALA 91 Cb 0.00 -1.33 -0.01 0.00 0.00 0.00 0.00 23.12 21.79 2qgb s ALA 91 CO 0.01 0.44 -0.22 -1.21 0.00 0.00 0.00 175.76 174.78 2qgb s GLU 92 N -0.38 2.39 -0.16 0.00 2.02 -1.26 0.02 118.70 121.33 2qgb s GLU 92 Ca 0.06 -0.80 0.00 0.00 0.02 0.00 0.00 54.97 54.25 2qgb s GLU 92 Cb -0.12 -1.98 0.03 0.00 0.10 0.00 0.00 34.13 32.16 2qgb s GLU 92 CO 0.02 0.29 -0.10 0.08 0.02 0.00 0.00 175.26 175.57 2qgb s VAL 93 N 0.02 1.37 -0.11 2.63 1.01 0.30 -4.97 120.40 120.65 2qgb s VAL 93 Ca -0.07 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 61.31 2qgb s VAL 93 Cb -0.14 -1.39 0.01 0.00 0.00 0.00 0.00 36.38 34.85 2qgb s VAL 93 CO 0.04 0.31 -0.22 -0.69 0.00 0.00 0.00 175.10 174.54 2qgb s VAL 94 N 1.55 1.98 0.15 2.92 1.01 -1.26 -0.28 120.40 126.47 2qgb s VAL 94 Ca 0.03 -0.95 -0.19 0.00 0.00 0.00 0.00 61.98 60.86 2qgb s VAL 94 Cb -0.14 -1.73 0.05 0.00 0.00 0.00 0.00 36.38 34.56 2qgb s VAL 94 CO -0.09 0.54 0.50 0.72 0.00 0.00 0.00 175.10 176.77 2qgb s PHE 95 N 0.57 -0.32 -0.22 5.22 -0.71 -0.46 -5.00 117.98 117.06 2qgb s PHE 95 Ca -0.14 0.03 -0.11 0.00 -1.04 0.00 0.00 56.93 55.68 2qgb s PHE 95 Cb -0.17 0.40 -0.05 0.00 -1.21 0.00 0.00 43.02 42.00 2qgb s PHE 95 CO 0.04 -0.80 0.18 0.99 -1.34 0.00 0.00 175.22 174.29 2qgb s THR 96 N -3.80 5.36 0.03 -4.49 2.01 -1.26 -0.76 115.64 112.73 2qgb s THR 96 Ca 0.03 0.25 -0.30 0.00 0.31 0.00 0.00 61.69 61.98 2qgb s THR 96 Cb 0.00 -3.52 -0.04 0.00 0.01 0.00 0.00 72.50 68.96 2qgb s THR 96 CO -0.11 0.38 0.99 0.00 -0.69 0.00 0.00 174.62 175.20 2qgb s ALA 97 N 0.76 3.19 -0.09 7.40 0.00 0.10 -4.95 121.76 128.17 2qgb s ALA 97 Ca 0.09 0.57 -0.00 0.00 0.00 0.00 0.00 51.96 52.62 2qgb s ALA 97 Cb -0.13 -3.34 0.02 0.00 0.00 0.00 0.00 23.12 19.68 2qgb s ALA 97 CO 0.02 -0.21 -0.07 -0.80 0.00 0.00 0.00 175.76 174.71 2qgb s ASN 98 N 0.81 1.93 0.49 0.00 0.01 -1.26 -2.87 114.94 114.06 2qgb s ASN 98 Ca 0.52 -0.26 0.25 0.00 -0.71 0.00 0.00 52.86 52.66 2qgb s ASN 98 Cb -0.22 -0.75 1.26 0.00 0.41 0.00 0.00 41.25 41.95 2qgb s ASN 98 CO 0.29 -0.10 1.99 0.44 -1.51 0.00 0.00 177.10 178.21 2qgb h ASP 99 N 7.93 0.00 -0.29 -1.22 3.32 -1.96 -3.07 116.42 121.13 2qgb h ASP 99 Ca -0.29 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.76 2qgb h ASP 99 Cb 1.14 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 2qgb h ASP 99 CO 0.40 0.17 0.17 0.28 -1.72 0.00 0.00 179.24 178.54 2qgb h SER 100 N 0.00 0.34 -3.50 6.45 0.02 -2.03 -3.45 113.55 111.38 2qgb h SER 100 Ca -0.00 -0.05 -0.41 0.00 -0.84 0.00 0.00 61.79 60.49 2qgb h SER 100 Cb 0.46 -0.09 0.19 0.00 0.14 0.00 0.00 62.40 63.11 2qgb h SER 100 CO 0.02 0.29 0.14 -0.83 -1.14 0.00 0.00 176.83 175.31 2qgb s GLY 101 N -2.55 1.59 0.98 -3.77 0.00 -1.16 -4.99 107.32 97.42 2qgb s GLY 101 Ca -0.13 -0.99 -0.11 0.00 0.00 0.00 0.00 44.72 43.49 2qgb s GLY 101 CO 0.71 -0.10 0.98 -1.05 0.00 0.00 0.00 173.10 173.65 2qgb n PRO 102 N -4.76 -0.83 -0.05 2.90 -0.02 -1.26 -4.96 135.00 126.02 2qgb n PRO 102 Ca 0.14 -0.19 0.07 0.00 -2.02 0.00 0.00 63.50 61.50 2qgb n PRO 102 Cb 0.60 -2.25 0.10 0.00 -0.02 0.00 0.00 33.50 31.92 2qgb n PRO 102 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2qgb n ARG 103 N -3.95 1.48 -5.02 -0.52 3.00 -0.40 -4.71 116.66 106.53 2qgb n ARG 103 Ca 0.09 -1.59 -0.32 0.00 -0.01 0.00 0.00 57.85 56.02 2qgb n ARG 103 Cb 0.53 -1.30 -0.16 0.00 0.00 0.00 0.00 32.46 31.53 2qgb n ARG 103 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2qgb s ARG 104 N -1.19 3.08 -0.17 5.56 0.52 0.20 -4.69 118.95 122.26 2qgb s ARG 104 Ca 0.21 -0.79 -0.01 0.00 -0.52 0.00 0.00 55.73 54.62 2qgb s ARG 104 Cb 0.13 -2.42 -0.00 0.00 0.52 0.00 0.00 34.95 33.18 2qgb s ARG 104 CO 0.19 0.25 -0.13 0.71 0.02 0.00 0.00 175.30 176.35 2qgb s TYR 105 N 0.20 2.83 -0.19 -0.53 1.51 0.21 -1.12 117.35 120.25 2qgb s TYR 105 Ca -0.11 -1.04 -0.04 0.00 -1.01 0.00 0.00 57.07 54.87 2qgb s TYR 105 Cb -0.16 -1.94 -0.02 0.00 -0.11 0.00 0.00 41.96 39.73 2qgb s TYR 105 CO 0.06 -0.50 -0.04 0.99 -1.11 0.00 0.00 175.55 174.95 2qgb s THR 106 N 0.98 3.57 -0.39 -0.71 2.01 0.05 -1.14 115.64 120.01 2qgb s THR 106 Ca -0.02 -0.45 -0.13 0.00 0.31 0.00 0.00 61.69 61.40 2qgb s THR 106 Cb -0.15 -2.59 0.02 0.00 0.01 0.00 0.00 72.50 69.79 2qgb s THR 106 CO -0.02 0.45 0.25 -0.63 -0.69 0.00 0.00 174.62 173.99 2qgb s ILE 107 N 1.00 4.98 -0.06 1.82 -1.09 -0.05 -1.09 121.20 126.72 2qgb s ILE 107 Ca 0.00 -0.68 -0.02 0.00 -2.23 0.00 0.00 60.65 57.72 2qgb s ILE 107 Cb -0.15 -3.75 -0.04 0.00 -1.58 0.00 0.00 42.46 36.95 2qgb s ILE 107 CO 0.01 -0.24 0.06 0.00 -1.23 0.00 0.00 174.94 173.54 2qgb s ALA 108 N 1.63 3.51 -0.01 9.38 0.00 -0.33 -1.18 121.76 134.77 2qgb s ALA 108 Ca 0.04 -0.81 0.02 0.00 0.00 0.00 0.00 51.96 51.22 2qgb s ALA 108 Cb -0.19 -1.60 -0.00 0.00 0.00 0.00 0.00 23.12 21.32 2qgb s ALA 108 CO 0.09 0.64 -0.08 0.00 0.00 0.00 0.00 175.76 176.40 2qgb s ALA 109 N -1.04 0.73 -0.20 0.00 0.00 -0.03 -1.52 121.76 119.70 2qgb s ALA 109 Ca 0.18 -0.34 0.01 0.00 0.00 0.00 0.00 51.96 51.81 2qgb s ALA 109 Cb -0.12 -0.21 0.03 0.00 0.00 0.00 0.00 23.12 22.82 2qgb s ALA 109 CO 0.07 0.16 -0.17 -1.17 0.00 0.00 0.00 175.76 174.65 2qgb s LEU 110 N -0.08 2.47 -0.14 0.00 2.96 0.14 -0.91 118.68 123.13 2qgb s LEU 110 Ca 0.01 -0.79 -0.04 0.00 -0.22 0.00 0.00 54.13 53.09 2qgb s LEU 110 Cb -0.05 -1.51 -0.03 0.00 0.50 0.00 0.00 46.19 45.09 2qgb s LEU 110 CO -0.00 -0.04 0.01 -0.76 -1.32 0.00 0.00 176.35 174.24 2qgb s LEU 111 N 1.26 3.57 0.24 -0.68 1.43 0.16 -1.68 118.68 123.00 2qgb s LEU 111 Ca 0.02 0.05 0.05 0.00 -1.03 0.00 0.00 54.13 53.21 2qgb s LEU 111 Cb -0.15 -1.86 -0.05 0.00 0.03 0.00 0.00 46.19 44.16 2qgb s LEU 111 CO -0.11 0.25 -0.02 -0.44 0.23 0.00 0.00 176.35 176.26 2qgb s SER 112 N -0.09 2.14 0.30 2.29 0.01 0.21 -0.83 113.70 117.73 2qgb s SER 112 Ca 0.04 -1.20 0.00 0.00 1.31 0.00 0.00 55.95 56.10 2qgb s SER 112 Cb -0.13 -0.05 0.52 0.00 0.21 0.00 0.00 66.02 66.58 2qgb s SER 112 CO 0.02 -0.45 1.92 -0.65 0.41 0.00 0.00 173.24 174.48 2qgb h PRO 113 N 2.42 1.00 -0.21 12.44 0.11 -1.99 -2.93 132.00 142.84 2qgb h PRO 113 Ca -0.39 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2qgb h PRO 113 Cb 1.22 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.11 2qgb h PRO 113 CO 0.65 0.66 0.00 0.66 -0.21 0.00 0.00 178.00 179.77 2qgb n TYR 114 N -4.48 0.45 -3.55 0.65 4.02 -1.26 -0.84 117.16 112.15 2qgb n TYR 114 Ca 0.13 -0.68 -0.16 0.00 -0.01 0.00 0.00 57.90 57.18 2qgb n TYR 114 Cb 0.18 -0.13 -0.06 0.00 -0.02 0.00 0.00 39.34 39.31 2qgb n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2qgb s SER 115 N -1.53 -0.56 0.03 7.72 0.15 -1.11 -4.98 113.70 113.42 2qgb s SER 115 Ca 0.26 0.52 -0.14 0.00 0.70 0.00 0.00 55.95 57.29 2qgb s SER 115 Cb 0.18 0.51 0.02 0.00 -1.71 0.00 0.00 66.02 65.02 2qgb s SER 115 CO 0.09 -0.63 0.29 -0.72 1.20 0.00 0.00 173.24 173.48 2qgb s TYR 116 N -1.53 -0.11 0.13 3.44 -0.85 -1.26 -0.62 117.35 116.55 2qgb s TYR 116 Ca -0.10 0.03 0.09 0.00 -0.52 0.00 0.00 57.07 56.57 2qgb s TYR 116 Cb -0.01 0.08 -0.04 0.00 0.38 0.00 0.00 41.96 42.38 2qgb s TYR 116 CO 0.06 -0.46 -0.21 -1.12 -1.52 0.00 0.00 175.55 172.30 2qgb s SER 117 N -1.85 2.72 0.01 -0.18 0.01 -0.67 -4.98 113.70 108.76 2qgb s SER 117 Ca -0.08 -0.76 0.01 0.00 1.31 0.00 0.00 55.95 56.43 2qgb s SER 117 Cb -0.02 -0.16 -0.01 0.00 0.21 0.00 0.00 66.02 66.04 2qgb s SER 117 CO -0.01 0.05 -0.02 0.28 0.41 0.00 0.00 173.24 173.94 2qgb s THR 118 N -1.45 0.16 0.04 1.44 -1.32 -1.26 -0.69 115.64 112.56 2qgb s THR 118 Ca 0.11 -0.29 0.04 0.00 -1.21 0.00 0.00 61.69 60.34 2qgb s THR 118 Cb -0.09 -0.18 -0.02 0.00 -1.51 0.00 0.00 72.50 70.70 2qgb s THR 118 CO 0.06 -0.08 -0.13 -0.89 -2.21 0.00 0.00 174.62 171.36 2qgb s THR 119 N -0.38 0.99 -0.16 5.08 2.01 -0.58 -5.00 115.64 117.61 2qgb s THR 119 Ca -0.03 -1.04 -0.03 0.00 0.31 0.00 0.00 61.69 60.90 2qgb s THR 119 Cb -0.03 -0.93 -0.02 0.00 0.01 0.00 0.00 72.50 71.53 2qgb s THR 119 CO -0.00 -0.10 -0.06 0.00 -0.69 0.00 0.00 174.62 173.78 2qgb s ALA 120 N -0.98 2.89 -0.28 7.40 0.00 -1.26 -1.18 121.76 128.35 2qgb s ALA 120 Ca -0.01 -0.90 -0.02 0.00 0.00 0.00 0.00 51.96 51.04 2qgb s ALA 120 Cb -0.08 -1.52 0.04 0.00 0.00 0.00 0.00 23.12 21.56 2qgb s ALA 120 CO 0.01 0.10 -0.02 0.08 0.00 0.00 0.00 175.76 175.93 2qgb s VAL 121 N 0.57 2.96 -0.23 0.00 1.01 -0.25 -4.98 120.40 119.48 2qgb s VAL 121 Ca -0.04 -1.25 0.00 0.00 0.00 0.00 0.00 61.98 60.70 2qgb s VAL 121 Cb -0.15 -2.63 0.03 0.00 0.00 0.00 0.00 36.38 33.63 2qgb s VAL 121 CO 0.03 0.00 -0.11 -0.69 0.00 0.00 0.00 175.10 174.33 2qgb s VAL 122 N 1.28 2.48 0.25 2.92 1.01 -1.26 -0.77 120.40 126.31 2qgb s VAL 122 Ca -0.03 -1.13 0.02 0.00 0.00 0.00 0.00 61.98 60.84 2qgb s VAL 122 Cb -0.19 -2.24 -0.05 0.00 0.00 0.00 0.00 36.38 33.90 2qgb s VAL 122 CO -0.02 0.25 0.04 0.42 0.00 0.00 0.00 175.10 175.79 2qgb s THR 123 N 1.26 0.83 -1.55 3.92 -4.23 -0.28 -4.78 115.64 110.82 2qgb s THR 123 Ca -0.00 -2.01 0.12 0.00 -1.18 0.00 0.00 61.69 58.62 2qgb s THR 123 Cb -0.16 -2.49 0.10 0.00 1.34 0.00 0.00 72.50 71.28 2qgb s THR 123 CO -0.07 -0.17 0.89 0.59 -0.54 0.00 0.00 174.62 175.32