#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qxf s HIS 2 N 0.00 3.62 0.08 2.03 0.00 -1.26 -4.84 115.29 114.91 1qxf s HIS 2 Ca 0.00 0.98 0.00 0.00 -3.00 0.00 0.00 55.06 53.04 1qxf s HIS 2 Cb 0.00 -2.47 0.00 0.00 -4.00 0.00 0.00 32.58 26.11 1qxf s HIS 2 CO 0.00 0.36 0.00 0.45 -1.00 0.00 0.00 174.74 174.55 1qxf n SER 3 N 2.88 -3.62 -5.00 7.38 2.88 -1.26 -5.05 113.62 111.82 1qxf n SER 3 Ca -0.09 0.30 -0.17 0.00 -1.33 0.00 0.00 58.87 57.57 1qxf n SER 3 Cb 0.52 -0.72 0.01 0.00 -0.75 0.00 0.00 64.21 63.26 1qxf n SER 3 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1qxf s ARG 4 N -3.31 2.81 0.04 -1.46 0.52 -1.26 -4.98 118.95 111.30 1qxf s ARG 4 Ca 0.00 -1.26 -0.01 0.00 -0.52 0.00 0.00 55.73 53.94 1qxf s ARG 4 Cb 0.00 -2.74 -0.04 0.00 0.52 0.00 0.00 34.95 32.69 1qxf s ARG 4 CO 0.00 -0.27 0.22 -0.59 0.02 0.00 0.00 175.30 174.67 1qxf s PHE 5 N -2.36 3.53 -0.09 -0.53 -0.12 -1.26 -3.98 117.98 113.16 1qxf s PHE 5 Ca 0.55 0.31 -0.04 0.00 -0.05 0.00 0.00 56.93 57.70 1qxf s PHE 5 Cb -0.10 -1.80 0.05 0.00 -0.63 0.00 0.00 43.02 40.54 1qxf s PHE 5 CO 0.33 0.60 0.19 0.14 -0.05 0.00 0.00 175.22 176.43 1qxf s VAL 6 N -1.46 -0.13 -0.24 -2.49 -7.23 -1.21 -4.05 120.40 103.60 1qxf s VAL 6 Ca 0.33 0.21 -0.18 0.00 -1.81 0.00 0.00 61.98 60.53 1qxf s VAL 6 Cb -0.13 -0.32 -0.03 0.00 0.56 0.00 0.00 36.38 36.46 1qxf s VAL 6 CO 0.25 0.09 0.50 -0.75 -0.31 0.00 0.00 175.10 174.88 1qxf s LYS 7 N 1.54 4.11 0.36 4.82 2.20 0.18 -2.64 119.74 130.31 1qxf s LYS 7 Ca -0.06 0.33 0.07 0.00 -0.36 0.00 0.00 55.97 55.96 1qxf s LYS 7 Cb -0.11 -3.62 -0.07 0.00 -1.51 0.00 0.00 37.83 32.52 1qxf s LYS 7 CO -0.07 -0.27 -0.03 0.14 -0.36 0.00 0.00 175.35 174.77 1qxf s VAL 8 N 2.03 1.90 -0.01 4.02 -7.23 0.22 -2.03 120.40 119.30 1qxf s VAL 8 Ca 0.22 -2.08 0.02 0.00 -1.81 0.00 0.00 61.98 58.32 1qxf s VAL 8 Cb -0.15 -2.77 -0.00 0.00 0.56 0.00 0.00 36.38 34.02 1qxf s VAL 8 CO 0.09 -0.11 -0.05 -0.75 -0.31 0.00 0.00 175.10 173.96 1qxf s LYS 9 N -3.71 0.50 0.11 4.82 2.20 -0.60 0.22 119.74 123.28 1qxf s LYS 9 Ca 0.33 -0.19 -0.31 0.00 -0.36 0.00 0.00 55.97 55.45 1qxf s LYS 9 Cb 0.06 -0.50 -0.07 0.00 -1.51 0.00 0.00 37.83 35.82 1qxf s LYS 9 CO 0.16 0.09 1.28 0.00 -0.36 0.00 0.00 175.35 176.53 1qxf h PRO 11 N 6.44 0.38 0.15 0.00 0.13 -1.89 1.57 132.00 138.78 1qxf h PRO 11 Ca -0.42 -0.37 -0.30 0.00 -0.87 0.00 0.00 66.00 64.03 1qxf h PRO 11 Cb 1.21 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1qxf h PRO 11 CO 0.82 1.04 -1.48 -0.44 -0.23 0.00 0.00 178.00 177.71 1qxf h ASP 12 N 0.23 0.49 0.81 1.44 5.19 -1.97 -3.33 116.42 119.28 1qxf h ASP 12 Ca -0.06 -0.89 -0.18 0.00 -0.62 0.00 0.00 57.03 55.28 1qxf h ASP 12 Cb 1.47 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 40.79 1qxf h ASP 12 CO 0.15 1.66 -0.87 0.00 -3.12 0.00 0.00 179.24 177.06 1qxf n GLU 14 N -3.54 -0.99 -3.75 0.00 1.02 0.53 -4.95 120.64 108.95 1qxf n GLU 14 Ca -0.01 0.25 -0.31 0.00 -0.02 0.00 0.00 57.16 57.07 1qxf n GLU 14 Cb 0.82 -4.12 -0.04 0.00 -0.02 0.00 0.00 31.44 28.08 1qxf n GLU 14 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1qxf s HIS 15 N -1.54 3.49 0.08 -0.32 2.46 -1.18 -4.78 115.29 113.49 1qxf s HIS 15 Ca 0.00 0.43 -0.21 0.00 0.47 0.00 0.00 55.06 55.75 1qxf s HIS 15 Cb 0.00 -1.90 -0.07 0.00 -0.13 0.00 0.00 32.58 30.48 1qxf s HIS 15 CO 0.00 0.47 0.62 -1.21 -2.47 0.00 0.00 174.74 172.16 1qxf s GLU 16 N -2.73 4.31 0.04 2.88 2.02 -1.26 0.97 118.70 124.93 1qxf s GLU 16 Ca 0.39 0.84 -0.04 0.00 0.02 0.00 0.00 54.97 56.17 1qxf s GLU 16 Cb -0.12 -3.27 -0.01 0.00 0.10 0.00 0.00 34.13 30.83 1qxf s GLU 16 CO 0.26 0.56 0.07 -0.65 0.02 0.00 0.00 175.26 175.52 1qxf s GLN 17 N -0.89 0.56 -0.23 1.61 -1.52 0.59 -4.92 119.66 114.85 1qxf s GLN 17 Ca 0.31 -0.78 -0.02 0.00 -1.95 0.00 0.00 55.36 52.93 1qxf s GLN 17 Cb -0.20 0.21 0.02 0.00 -0.22 0.00 0.00 33.01 32.82 1qxf s GLN 17 CO 0.20 -0.13 -0.08 0.08 -0.25 0.00 0.00 175.29 175.11 1qxf s VAL 18 N -2.59 2.86 0.27 1.09 1.01 -1.26 0.72 120.40 122.50 1qxf s VAL 18 Ca -0.05 -0.90 0.05 0.00 0.00 0.00 0.00 61.98 61.07 1qxf s VAL 18 Cb -0.01 -2.39 -0.06 0.00 0.00 0.00 0.00 36.38 33.92 1qxf s VAL 18 CO -0.05 0.29 -0.01 0.27 0.00 0.00 0.00 175.10 175.61 1qxf s ILE 19 N 1.35 1.29 0.33 2.22 -4.36 -1.08 -4.98 121.20 115.97 1qxf s ILE 19 Ca 0.02 -2.06 -0.11 0.00 -0.26 0.00 0.00 60.65 58.24 1qxf s ILE 19 Cb -0.16 -2.50 -0.07 0.00 1.25 0.00 0.00 42.46 40.98 1qxf s ILE 19 CO -0.05 -0.23 0.69 -0.36 0.24 0.00 0.00 174.94 175.23 1qxf s PHE 20 N -3.24 3.43 -0.25 1.37 0.08 -1.26 -3.28 117.98 114.83 1qxf s PHE 20 Ca 0.31 1.01 -0.00 0.00 0.12 0.00 0.00 56.93 58.37 1qxf s PHE 20 Cb 0.06 -2.39 0.20 0.00 -0.57 0.00 0.00 43.02 40.31 1qxf s PHE 20 CO 0.12 0.06 1.87 -0.40 -0.10 0.00 0.00 175.22 176.77 1qxf n ASP 21 N -0.75 5.62 0.00 1.36 5.75 -1.26 -4.00 116.55 123.27 1qxf n ASP 21 Ca 0.02 -2.89 0.00 0.00 -0.01 0.00 0.00 54.79 51.91 1qxf n ASP 21 Cb 0.53 -0.97 0.00 0.00 -1.03 0.00 0.00 41.12 39.65 1qxf n ASP 21 CO 0.00 0.00 0.00 1.57 -0.11 0.00 0.00 177.20 178.66 1qxf n HIS 22 N 0.39 0.00 -0.02 2.11 -0.00 -1.16 -4.68 115.22 111.86 1qxf n HIS 22 Ca 0.25 0.00 -0.16 0.00 -0.00 0.00 0.00 57.72 57.81 1qxf n HIS 22 Cb 0.65 0.00 -0.11 0.00 -0.00 0.00 0.00 29.99 30.54 1qxf n HIS 22 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1qxf h PRO 23 N 0.00 0.29 0.00 1.57 0.13 -1.77 -3.48 132.00 128.75 1qxf h PRO 23 Ca 0.00 -0.28 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1qxf h PRO 23 Cb 0.00 0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.20 1qxf h PRO 23 CO 0.00 0.97 0.00 0.45 -0.23 0.00 0.00 178.00 179.19 1qxf n SER 24 N -4.40 0.00 -4.86 1.44 2.88 -1.26 -4.96 113.62 102.45 1qxf n SER 24 Ca -0.09 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.23 1qxf n SER 24 Cb 0.55 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.98 1qxf n SER 24 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1qxf s THR 25 N -0.71 3.91 0.31 2.46 -4.23 -1.26 -4.57 115.64 111.55 1qxf s THR 25 Ca 0.00 -1.32 -0.29 0.00 -1.18 0.00 0.00 61.69 58.90 1qxf s THR 25 Cb 0.00 -3.30 -0.11 0.00 1.34 0.00 0.00 72.50 70.44 1qxf s THR 25 CO 0.00 -0.23 1.46 -0.63 -0.54 0.00 0.00 174.62 174.68 1qxf s ILE 26 N -2.23 2.37 -0.26 2.99 1.01 -1.26 -4.47 121.20 119.35 1qxf s ILE 26 Ca 0.39 0.34 -0.06 0.00 0.00 0.00 0.00 60.65 61.32 1qxf s ILE 26 Cb -0.07 -3.22 -0.01 0.00 0.01 0.00 0.00 42.46 39.17 1qxf s ILE 26 CO 0.27 0.07 0.05 -0.69 0.00 0.00 0.00 174.94 174.64 1qxf s VAL 27 N -0.55 4.03 -0.11 2.92 1.01 -0.54 -5.04 120.40 122.10 1qxf s VAL 27 Ca 0.56 -0.38 -0.04 0.00 0.00 0.00 0.00 61.98 62.13 1qxf s VAL 27 Cb -0.44 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 1qxf s VAL 27 CO 0.52 0.29 0.03 -0.54 0.00 0.00 0.00 175.10 175.40 1qxf s LYS 28 N 1.56 3.28 0.28 2.72 1.02 -1.26 -1.26 119.74 126.08 1qxf s LYS 28 Ca 0.05 -0.36 -0.29 0.00 0.02 0.00 0.00 55.97 55.39 1qxf s LYS 28 Cb -0.15 -2.94 -0.13 0.00 -0.52 0.00 0.00 37.83 34.08 1qxf s LYS 28 CO 0.02 0.61 1.21 0.00 -0.92 0.00 0.00 175.35 176.27 1qxf n ILE 30 N 0.78 0.24 0.00 0.00 -5.35 -1.26 -2.23 119.36 111.54 1qxf n ILE 30 Ca 0.09 0.06 0.00 0.00 -0.27 0.00 0.00 62.75 62.63 1qxf n ILE 30 Cb 0.32 -0.62 0.00 0.00 -1.74 0.00 0.00 39.64 37.60 1qxf n ILE 30 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 1qxf n ILE 31 N -1.50 0.00 -0.10 7.28 2.08 -1.26 -4.82 119.36 121.04 1qxf n ILE 31 Ca 0.06 0.01 -0.18 0.00 0.56 0.00 0.00 62.75 63.20 1qxf n ILE 31 Cb 0.30 -0.02 -0.09 0.00 -0.75 0.00 0.00 39.64 39.08 1qxf n ILE 31 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1qxf n GLY 33 N 1.45 0.49 3.85 0.00 0.00 -0.95 -4.95 105.19 105.09 1qxf n GLY 33 Ca -0.29 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 1qxf n GLY 33 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1qxf s ARG 34 N 0.00 3.94 0.07 1.61 1.70 -1.26 -4.33 118.95 120.68 1qxf s ARG 34 Ca 0.00 0.46 -0.31 0.00 -0.47 0.00 0.00 55.73 55.41 1qxf s ARG 34 Cb 0.00 -2.80 -0.09 0.00 -0.57 0.00 0.00 34.95 31.49 1qxf s ARG 34 CO 0.00 0.40 1.75 0.99 -1.08 0.00 0.00 175.30 177.35 1qxf s THR 35 N -1.62 2.92 -0.08 4.99 2.01 -1.26 0.17 115.64 122.76 1qxf s THR 35 Ca 0.42 0.31 0.07 0.00 0.31 0.00 0.00 61.69 62.80 1qxf s THR 35 Cb -0.13 -3.20 -0.10 0.00 0.01 0.00 0.00 72.50 69.08 1qxf s THR 35 CO 0.20 -0.01 0.18 1.33 -0.69 0.00 0.00 174.62 175.63 1qxf n VAL 36 N 4.88 0.00 -3.64 3.82 0.24 -0.39 -4.88 118.33 118.36 1qxf n VAL 36 Ca 0.17 -0.20 -0.12 0.00 -2.04 0.00 0.00 64.34 62.14 1qxf n VAL 36 Cb 0.40 0.51 -0.07 0.00 -1.47 0.00 0.00 33.84 33.20 1qxf n VAL 36 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1qxf s ALA 37 N -2.26 -1.70 -0.04 2.33 0.00 -1.22 -0.87 121.76 118.01 1qxf s ALA 37 Ca -0.01 2.00 0.05 0.00 0.00 0.00 0.00 51.96 54.00 1qxf s ALA 37 Cb 0.05 -1.17 -0.01 0.00 0.00 0.00 0.00 23.12 21.99 1qxf s ALA 37 CO 0.28 -0.33 -0.19 -1.21 0.00 0.00 0.00 175.76 174.31 1qxf s GLU 38 N 0.63 1.79 -1.19 0.00 2.02 -1.03 -1.47 118.70 119.45 1qxf s GLU 38 Ca -0.02 -0.67 -0.07 0.00 0.02 0.00 0.00 54.97 54.23 1qxf s GLU 38 Cb -0.05 -1.60 -0.07 0.00 0.10 0.00 0.00 34.13 32.51 1qxf s GLU 38 CO -0.03 0.31 2.48 -0.35 0.02 0.00 0.00 175.26 177.69 1qxf n PRO 39 N 2.95 2.75 0.30 0.39 -0.04 -1.26 -2.38 135.00 137.71 1qxf n PRO 39 Ca -0.17 -1.75 0.19 0.00 -0.04 0.00 0.00 63.50 61.73 1qxf n PRO 39 Cb 0.53 -2.58 1.02 0.00 -0.04 0.00 0.00 33.50 32.43 1qxf n PRO 39 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1qxf h THR 40 N 3.23 0.24 0.00 0.52 1.03 -1.93 -3.46 112.91 112.54 1qxf h THR 40 Ca 0.65 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 67.05 1qxf h THR 40 Cb 0.23 0.94 0.00 0.00 -1.07 0.00 0.00 68.15 68.25 1qxf h THR 40 CO 1.56 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 177.68 1qxf n GLY 41 N -1.22 0.98 5.13 2.99 0.00 -1.26 -5.02 105.19 106.78 1qxf n GLY 41 Ca -0.02 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.05 1qxf n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qxf n GLY 42 N -0.75 0.66 2.28 -0.02 0.00 -1.26 -1.66 105.19 104.44 1qxf n GLY 42 Ca 0.00 0.21 -0.02 0.00 0.00 0.00 0.00 46.02 46.21 1qxf n GLY 42 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1qxf n LYS 43 N 0.00 0.81 -2.29 1.61 0.00 -1.26 -5.09 118.16 111.93 1qxf n LYS 43 Ca 0.00 -0.82 0.00 0.00 -0.00 0.00 0.00 58.31 57.49 1qxf n LYS 43 Cb 0.00 0.21 0.00 0.00 -0.00 0.00 0.00 35.03 35.24 1qxf n LYS 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1qxf n GLY 44 N -0.88 -5.72 3.81 2.58 0.00 -0.66 -2.96 105.19 101.36 1qxf n GLY 44 Ca -0.11 -0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.51 1qxf n GLY 44 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1qxf s ASN 45 N -0.58 6.98 -0.33 1.61 2.47 -1.00 -4.57 114.94 119.52 1qxf s ASN 45 Ca 0.00 1.17 -0.25 0.00 0.42 0.00 0.00 52.86 54.19 1qxf s ASN 45 Cb 0.00 -2.33 0.01 0.00 -1.45 0.00 0.00 41.25 37.48 1qxf s ASN 45 CO 0.00 0.27 0.88 -0.63 -3.72 0.00 0.00 177.10 173.90 1qxf s ILE 46 N -0.98 4.67 -0.39 -5.21 1.09 -1.26 -2.47 121.20 116.64 1qxf s ILE 46 Ca 0.28 1.26 -0.02 0.00 -1.10 0.00 0.00 60.65 61.07 1qxf s ILE 46 Cb -0.19 -4.26 0.22 0.00 -1.06 0.00 0.00 42.46 37.17 1qxf s ILE 46 CO 0.17 -0.40 2.14 0.29 -0.10 0.00 0.00 174.94 177.04 1qxf n LYS 47 N 6.53 2.03 -4.02 2.79 5.02 -0.05 -4.86 118.16 125.60 1qxf n LYS 47 Ca 0.06 -1.94 -0.10 0.00 -2.02 0.00 0.00 58.31 54.32 1qxf n LYS 47 Cb 0.48 -1.79 -0.08 0.00 -0.02 0.00 0.00 35.03 33.62 1qxf n LYS 47 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1qxf s ALA 48 N -2.10 0.27 -0.32 7.82 0.00 -1.22 -4.78 121.76 121.44 1qxf s ALA 48 Ca 0.40 -1.07 -0.29 0.00 0.00 0.00 0.00 51.96 51.00 1qxf s ALA 48 Cb 0.30 0.88 -0.00 0.00 0.00 0.00 0.00 23.12 24.30 1qxf s ALA 48 CO -0.04 -0.60 1.43 -2.00 0.00 0.00 0.00 175.76 174.54 1qxf s GLU 49 N -4.00 3.75 0.18 0.00 2.12 -1.10 -4.86 118.70 114.79 1qxf s GLU 49 Ca 0.20 1.24 -0.27 0.00 0.36 0.00 0.00 54.97 56.50 1qxf s GLU 49 Cb 0.04 -3.98 -0.08 0.00 0.26 0.00 0.00 34.13 30.38 1qxf s GLU 49 CO 0.01 -1.34 0.84 0.42 -0.54 0.00 0.00 175.26 174.64 1qxf s ILE 50 N 5.04 4.29 -0.18 -3.70 1.01 -1.26 -1.56 121.20 124.83 1qxf s ILE 50 Ca 0.62 1.85 -0.15 0.00 0.00 0.00 0.00 60.65 62.97 1qxf s ILE 50 Cb -0.18 -4.21 -0.06 0.00 0.01 0.00 0.00 42.46 38.02 1qxf s ILE 50 CO 0.28 0.50 -0.27 -0.38 0.00 0.00 0.00 174.94 175.07 1qxf n ILE 51 N 1.67 1.48 -3.23 2.92 -0.00 -0.86 -4.96 119.36 116.38 1qxf n ILE 51 Ca -0.04 0.11 0.00 0.00 -0.00 0.00 0.00 62.75 62.82 1qxf n ILE 51 Cb 0.48 -2.31 0.00 0.00 -0.00 0.00 0.00 39.64 37.81 1qxf n ILE 51 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.55 177.76 1qxf n GLU 52 N -4.49 -1.09 -2.55 0.38 4.07 -1.19 -5.06 120.64 110.71 1qxf n GLU 52 Ca -0.16 0.00 -0.38 0.00 -0.06 0.00 0.00 57.16 56.56 1qxf n GLU 52 Cb 0.48 0.00 -0.04 0.00 -0.06 0.00 0.00 31.44 31.81 1qxf n GLU 52 CO 0.00 0.00 0.00 0.71 -0.06 0.00 0.00 177.13 177.78 1qxf s TYR 53 N -3.00 3.41 0.71 4.31 2.02 -1.26 -0.65 117.35 122.89 1qxf s TYR 53 Ca 0.00 1.68 -0.04 0.00 -0.37 0.00 0.00 57.07 58.34 1qxf s TYR 53 Cb 0.00 -3.15 0.10 0.00 -0.40 0.00 0.00 41.96 38.51 1qxf s TYR 53 CO 0.00 -0.51 0.99 0.08 -1.57 0.00 0.00 175.55 174.54 1qxf s VAL 54 N -1.50 2.27 -0.73 0.71 1.01 -1.26 -4.75 120.40 116.15 1qxf s VAL 54 Ca 0.53 -0.46 0.19 0.00 0.00 0.00 0.00 61.98 62.24 1qxf s VAL 54 Cb -0.25 -2.81 -0.22 0.00 0.00 0.00 0.00 36.38 33.10 1qxf s VAL 54 CO 0.31 0.00 0.74 -0.67 0.00 0.00 0.00 175.10 175.48 1qxf n ASP 55 N -2.86 0.83 -4.56 3.32 -0.08 -1.26 -4.82 116.55 107.12 1qxf n ASP 55 Ca 0.12 -0.77 -0.34 0.00 -1.51 0.00 0.00 54.79 52.29 1qxf n ASP 55 Cb 0.60 1.17 -0.04 0.00 2.34 0.00 0.00 41.12 45.19 1qxf n ASP 55 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 1qxf s GLN 56 N -2.90 3.02 0.90 -0.67 -1.52 -1.26 -4.96 119.66 112.27 1qxf s GLN 56 Ca 0.05 -0.61 -0.13 0.00 -1.95 0.00 0.00 55.36 52.72 1qxf s GLN 56 Cb 0.14 -5.14 0.13 0.00 -0.22 0.00 0.00 33.01 27.93 1qxf s GLN 56 CO 0.79 -2.82 1.18 0.42 -0.25 0.00 0.00 175.29 174.61 1qxf s ILE 57 N 7.75 1.98 -2.00 1.08 1.01 -1.26 -4.84 121.20 124.91 1qxf s ILE 57 Ca 0.59 0.00 0.11 0.00 0.00 0.00 0.00 60.65 61.34 1qxf s ILE 57 Cb -0.04 -2.87 0.30 0.00 0.01 0.00 0.00 42.46 39.86 1qxf s ILE 57 CO -0.03 0.00 1.07 1.21 0.00 0.00 0.00 174.94 177.19