#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qcv s LYS 2 N 0.00 2.23 -0.20 0.00 3.01 -1.26 -2.99 119.74 120.53 1qcv s LYS 2 Ca 0.00 -2.41 -0.04 0.00 -1.01 0.00 0.00 55.97 52.51 1qcv s LYS 2 Cb 0.00 -1.58 0.07 0.00 -1.01 0.00 0.00 37.83 35.31 1qcv s LYS 2 CO 0.00 -0.45 0.09 -1.58 0.51 0.00 0.00 175.35 173.93 1qcv s TRP 3 N -2.89 0.37 0.15 3.18 0.52 -1.00 -2.37 118.94 116.89 1qcv s TRP 3 Ca 0.05 -0.54 -0.17 0.00 0.02 0.00 0.00 56.10 55.46 1qcv s TRP 3 Cb -0.00 -0.80 -0.07 0.00 -1.15 0.00 0.00 33.47 31.44 1qcv s TRP 3 CO 0.03 -0.60 0.61 0.54 0.02 0.00 0.00 176.95 177.55 1qcv s VAL 4 N 2.08 4.74 -0.38 4.03 0.11 0.16 -1.80 120.40 129.34 1qcv s VAL 4 Ca 0.03 1.05 -0.17 0.00 -2.93 0.00 0.00 61.98 59.96 1qcv s VAL 4 Cb -0.16 -3.81 0.01 0.00 -1.53 0.00 0.00 36.38 30.88 1qcv s VAL 4 CO -0.15 0.30 0.46 -0.22 -3.33 0.00 0.00 175.10 172.16 1qcv s LEU 5 N -1.78 4.58 0.65 2.54 0.20 0.16 -0.74 118.68 124.29 1qcv s LEU 5 Ca 0.37 -0.35 0.32 0.00 0.69 0.00 0.00 54.13 55.16 1qcv s LEU 5 Cb -0.17 -2.46 1.74 0.00 -0.43 0.00 0.00 46.19 44.87 1qcv s LEU 5 CO 0.20 -0.51 2.01 0.11 -0.29 0.00 0.00 176.35 177.87 1qcv h LYS 6 N 8.60 0.00 0.71 1.98 1.79 -1.89 0.42 116.57 128.18 1qcv h LYS 6 Ca -0.28 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.16 1qcv h LYS 6 Cb 1.12 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.78 1qcv h LYS 6 CO 0.77 0.00 -0.34 0.82 -1.08 0.00 0.00 179.45 179.62 1qcv h ILE 7 N 0.00 0.00 0.00 1.86 2.04 -1.92 -3.41 117.51 116.09 1qcv h ILE 7 Ca 0.04 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.90 1qcv h ILE 7 Cb 0.60 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 1qcv h ILE 7 CO -0.00 0.00 -0.90 1.07 0.00 0.00 0.00 178.15 178.32 1qcv n THR 8 N -4.57 0.00 0.00 -0.27 5.66 -1.08 -5.02 114.28 109.00 1qcv n THR 8 Ca -0.12 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.88 1qcv n THR 8 Cb 0.38 0.13 0.00 0.00 -1.55 0.00 0.00 70.33 69.28 1qcv n THR 8 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1qcv n GLY 9 N 2.37 1.58 3.77 1.09 0.00 0.15 -5.01 105.19 109.13 1qcv n GLY 9 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1qcv n GLY 9 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1qcv s TYR 10 N -2.00 2.96 0.11 1.61 5.04 -1.25 -4.49 117.35 119.33 1qcv s TYR 10 Ca 0.00 1.39 0.10 0.00 -2.44 0.00 0.00 57.07 56.11 1qcv s TYR 10 Cb 0.00 -3.72 -0.04 0.00 0.35 0.00 0.00 41.96 38.55 1qcv s TYR 10 CO 0.00 -2.03 -0.23 0.42 -1.34 0.00 0.00 175.55 172.37 1qcv s ILE 11 N -1.16 2.47 -0.24 3.14 -1.09 -1.26 0.38 121.20 123.44 1qcv s ILE 11 Ca 0.51 -1.60 0.02 0.00 -2.23 0.00 0.00 60.65 57.35 1qcv s ILE 11 Cb -0.40 -2.09 0.05 0.00 -1.58 0.00 0.00 42.46 38.43 1qcv s ILE 11 CO 0.53 0.14 -0.12 -0.47 -1.23 0.00 0.00 174.94 173.80 1qcv s TYR 12 N -1.05 3.14 -1.22 3.97 5.04 -0.74 -4.88 117.35 121.61 1qcv s TYR 12 Ca 0.15 -2.07 -0.20 0.00 -2.44 0.00 0.00 57.07 52.51 1qcv s TYR 12 Cb -0.10 -1.95 0.06 0.00 0.35 0.00 0.00 41.96 40.31 1qcv s TYR 12 CO 0.07 -0.85 1.67 0.16 -1.34 0.00 0.00 175.55 175.26 1qcv s ASP 13 N 1.17 6.66 0.57 4.32 -4.77 -1.25 -2.38 116.67 120.99 1qcv s ASP 13 Ca -0.05 -2.13 0.34 0.00 -3.30 0.00 0.00 52.55 47.42 1qcv s ASP 13 Cb -0.18 -2.58 1.87 0.00 -1.09 0.00 0.00 42.92 40.94 1qcv s ASP 13 CO -0.06 -1.35 2.05 -0.08 0.70 0.00 0.00 175.17 176.42 1qcv h GLU 14 N 8.30 0.00 -0.11 2.11 4.81 -1.75 0.79 114.58 128.74 1qcv h GLU 14 Ca 0.37 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.57 1qcv h GLU 14 Cb 0.91 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.28 1qcv h GLU 14 CO 1.44 0.00 -0.09 0.22 -0.73 0.00 0.00 179.01 179.85 1qcv h ASP 15 N 0.00 0.15 0.00 1.04 1.82 -1.80 -3.32 116.42 114.31 1qcv h ASP 15 Ca 0.00 -0.02 -0.17 0.00 -0.39 0.00 0.00 57.03 56.45 1qcv h ASP 15 Cb 0.18 -0.04 -0.03 0.00 0.68 0.00 0.00 39.33 40.13 1qcv h ASP 15 CO 0.00 0.27 -1.60 0.00 -1.61 0.00 0.00 179.24 176.30 1qcv n ALA 16 N -2.50 2.10 0.00 -0.78 0.00 0.04 -4.10 120.51 115.27 1qcv n ALA 16 Ca -0.01 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 52.99 1qcv n ALA 16 Cb 0.22 0.32 0.00 0.00 0.00 0.00 0.00 19.45 19.99 1qcv n ALA 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qcv n GLY 17 N 2.58 1.14 0.00 0.00 0.00 0.26 -1.25 105.19 107.92 1qcv n GLY 17 Ca -0.20 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.06 1qcv n GLY 17 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qcv n ASP 18 N 0.00 0.00 0.06 1.61 9.92 -1.26 -3.95 116.55 122.93 1qcv n ASP 18 Ca 0.00 0.00 0.07 0.00 -0.53 0.00 0.00 54.79 54.33 1qcv n ASP 18 Cb 0.00 0.00 0.33 0.00 -0.64 0.00 0.00 41.12 40.81 1qcv n ASP 18 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 1qcv n PRO 19 N 0.00 0.07 0.04 -0.24 -0.04 -1.26 -2.22 135.00 131.36 1qcv n PRO 19 Ca 0.00 0.41 -0.14 0.00 -0.04 0.00 0.00 63.50 63.73 1qcv n PRO 19 Cb 0.00 -1.67 -0.04 0.00 -0.04 0.00 0.00 33.50 31.76 1qcv n PRO 19 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1qcv h ASP 20 N 0.00 0.63 -0.47 3.54 1.82 -1.98 -3.23 116.42 116.74 1qcv h ASP 20 Ca 0.00 -0.47 0.00 0.00 -0.39 0.00 0.00 57.03 56.17 1qcv h ASP 20 Cb 0.18 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 40.00 1qcv h ASP 20 CO 0.00 1.25 0.00 0.59 -1.61 0.00 0.00 179.24 179.47 1qcv n ASN 21 N -3.82 4.47 -3.26 2.28 3.02 -1.01 -4.98 115.26 111.97 1qcv n ASN 21 Ca -0.07 -2.68 -0.08 0.00 -0.03 0.00 0.00 54.58 51.72 1qcv n ASN 21 Cb 0.79 -0.55 0.01 0.00 -0.61 0.00 0.00 39.78 39.43 1qcv n ASN 21 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qcv n GLY 22 N 0.41 -1.23 3.85 7.41 0.00 -1.07 -5.00 105.19 109.56 1qcv n GLY 22 Ca 0.23 0.51 -0.21 0.00 0.00 0.00 0.00 46.02 46.55 1qcv n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qcv s ILE 23 N -3.08 3.42 0.73 -0.61 -1.09 -0.94 -5.03 121.20 114.61 1qcv s ILE 23 Ca 0.09 -1.37 -0.12 0.00 -2.23 0.00 0.00 60.65 57.02 1qcv s ILE 23 Cb -0.02 -3.16 0.03 0.00 -1.58 0.00 0.00 42.46 37.73 1qcv s ILE 23 CO 0.78 -0.15 1.12 -0.44 -1.23 0.00 0.00 174.94 175.02 1qcv s SER 24 N -4.01 5.19 -0.30 3.58 0.01 -1.26 -4.68 113.70 112.22 1qcv s SER 24 Ca 0.42 1.04 -0.29 0.00 1.31 0.00 0.00 55.95 58.44 1qcv s SER 24 Cb -0.05 -1.76 -0.02 0.00 0.21 0.00 0.00 66.02 64.40 1qcv s SER 24 CO 0.27 -1.50 1.73 -2.16 0.41 0.00 0.00 173.24 171.99 1qcv s PRO 25 N -5.41 3.48 0.39 12.44 0.04 -1.26 -4.17 135.00 140.50 1qcv s PRO 25 Ca 0.59 1.47 0.00 0.00 0.04 0.00 0.00 61.00 63.10 1qcv s PRO 25 Cb -0.11 -4.14 0.00 0.00 0.04 0.00 0.00 34.50 30.29 1qcv s PRO 25 CO 0.51 -1.68 0.00 0.41 0.04 0.00 0.00 177.00 176.28 1qcv n GLY 26 N 5.20 0.93 2.63 0.56 0.00 -0.38 -4.96 105.19 109.16 1qcv n GLY 26 Ca 0.21 -0.67 -0.04 0.00 0.00 0.00 0.00 46.02 45.53 1qcv n GLY 26 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1qcv n THR 27 N 0.00-10.17 -1.88 2.61 -1.04 -1.26 -4.03 114.28 98.52 1qcv n THR 27 Ca 0.00 2.21 -0.42 0.00 -2.04 0.00 0.00 64.05 63.80 1qcv n THR 27 Cb 0.00 -5.48 -0.03 0.00 -1.82 0.00 0.00 70.33 63.00 1qcv n THR 27 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1qcv s LYS 28 N -0.50 4.19 0.29 -2.82 1.02 -1.26 -4.79 119.74 115.87 1qcv s LYS 28 Ca -0.18 2.44 0.04 0.00 0.02 0.00 0.00 55.97 58.29 1qcv s LYS 28 Cb 0.01 -3.11 0.73 0.00 -0.52 0.00 0.00 37.83 34.95 1qcv s LYS 28 CO 0.49 -0.61 1.71 0.35 -0.92 0.00 0.00 175.35 176.37 1qcv h PHE 29 N 6.12 0.74 0.00 3.18 3.04 -1.94 1.01 116.94 129.10 1qcv h PHE 29 Ca -0.44 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.55 1qcv h PHE 29 Cb 1.21 -0.19 0.00 0.00 2.56 0.00 0.00 35.95 39.53 1qcv h PHE 29 CO 0.63 0.01 0.00 0.39 -2.02 0.00 0.00 178.31 177.32 1qcv n GLU 30 N -4.98 0.09 -0.00 1.11 1.02 -1.26 -2.62 120.64 113.98 1qcv n GLU 30 Ca 0.22 0.17 0.08 0.00 -0.02 0.00 0.00 57.16 57.61 1qcv n GLU 30 Cb 0.64 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.46 1qcv n GLU 30 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1qcv n GLU 31 N -1.43 1.44 -0.68 3.49 2.13 0.34 -5.01 120.64 120.92 1qcv n GLU 31 Ca 0.06 -0.04 -0.32 0.00 0.66 0.00 0.00 57.16 57.51 1qcv n GLU 31 Cb 0.19 -1.28 0.17 0.00 0.27 0.00 0.00 31.44 30.79 1qcv n GLU 31 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1qcv n LEU 32 N -1.56 -2.14 0.00 4.31 4.77 -0.45 -4.90 117.00 117.03 1qcv n LEU 32 Ca 0.01 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 1qcv n LEU 32 Cb 0.29 -0.98 0.00 0.00 -2.33 0.00 0.00 43.42 40.40 1qcv n LEU 32 CO 0.33 -3.13 0.00 -0.81 -1.33 0.00 0.00 177.39 172.45 1qcv n PRO 33 N -2.10 0.87 -2.22 3.23 -0.04 -1.26 -5.08 135.00 128.40 1qcv n PRO 33 Ca 0.01 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.21 1qcv n PRO 33 Cb 0.62 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 34.14 1qcv n PRO 33 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1qcv s ASP 34 N -1.00 4.87 0.00 3.54 1.01 -1.26 -4.06 116.67 119.77 1qcv s ASP 34 Ca 0.00 0.47 0.00 0.00 0.71 0.00 0.00 52.55 53.73 1qcv s ASP 34 Cb 0.00 -1.14 0.00 0.00 1.01 0.00 0.00 42.92 42.79 1qcv s ASP 34 CO 0.00 -1.56 0.00 -0.67 0.21 0.00 0.00 175.17 173.15 1qcv n ASP 35 N -2.89 -4.32 0.00 0.27 -0.08 -1.26 -4.89 116.55 103.37 1qcv n ASP 35 Ca 0.08 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.36 1qcv n ASP 35 Cb 0.60 -2.57 0.00 0.00 2.34 0.00 0.00 41.12 41.49 1qcv n ASP 35 CO 0.00 0.00 0.00 1.87 0.12 0.00 0.00 177.20 179.19 1qcv n TRP 36 N -2.22 0.00 0.00 -0.67 -0.00 -1.26 -4.74 117.44 108.55 1qcv n TRP 36 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 1qcv n TRP 36 Cb 0.31 -0.21 0.00 0.00 -0.00 0.00 0.00 31.31 31.41 1qcv n TRP 36 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 1qcv n VAL 37 N -1.13 0.00 -3.96 5.87 0.31 -1.26 -4.73 118.33 113.43 1qcv n VAL 37 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.37 1qcv n VAL 37 Cb 0.00 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 32.94 1qcv n VAL 37 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1qcv s ALA 38 N -1.00 -2.60 0.25 3.52 0.00 -1.26 -4.96 121.76 115.71 1qcv s ALA 38 Ca 0.00 0.18 0.06 0.00 0.00 0.00 0.00 51.96 52.20 1qcv s ALA 38 Cb 0.00 0.85 0.28 0.00 0.00 0.00 0.00 23.12 24.25 1qcv s ALA 38 CO 0.00 -1.15 1.57 -1.00 0.00 0.00 0.00 175.76 175.18 1qcv h PRO 39 N 2.00 0.16 -3.90 0.00 0.13 -1.97 -3.46 132.00 124.97 1qcv h PRO 39 Ca -0.22 -0.11 -0.14 0.00 -0.87 0.00 0.00 66.00 64.66 1qcv h PRO 39 Cb 1.18 0.02 -0.18 0.00 0.13 0.00 0.00 31.00 32.15 1qcv h PRO 39 CO 0.30 0.72 -0.59 0.96 -0.23 0.00 0.00 178.00 179.17 1qcv s ILE 40 N -3.70 0.14 0.33 -3.56 -4.36 -1.26 -5.11 121.20 103.67 1qcv s ILE 40 Ca -0.03 -1.15 0.00 0.00 -0.26 0.00 0.00 60.65 59.21 1qcv s ILE 40 Cb 0.12 -0.82 0.00 0.00 1.25 0.00 0.00 42.46 43.01 1qcv s ILE 40 CO 0.79 -0.63 0.00 0.41 0.24 0.00 0.00 174.94 175.75 1qcv n THR 41 N 0.89 0.00 -0.68 8.37 -1.04 -1.26 -4.99 114.28 115.57 1qcv n THR 41 Ca -0.20 0.21 0.08 0.00 -2.04 0.00 0.00 64.05 62.11 1qcv n THR 41 Cb 0.58 -0.60 -0.04 0.00 -1.82 0.00 0.00 70.33 68.45 1qcv n THR 41 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1qcv n GLY 42 N -3.65 -2.57 0.21 3.41 0.00 -1.26 -4.48 105.19 96.85 1qcv n GLY 42 Ca -0.01 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.72 1qcv n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qcv n ALA 43 N -2.98 0.00 -2.65 4.61 0.00 -1.26 -4.86 120.51 113.38 1qcv n ALA 43 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.03 1qcv n ALA 43 Cb 0.32 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.71 1qcv n ALA 43 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1qcv s PRO 44 N -1.96 4.21 0.24 0.00 0.04 -1.26 -4.77 135.00 131.50 1qcv s PRO 44 Ca 0.00 0.40 -0.07 0.00 0.04 0.00 0.00 61.00 61.37 1qcv s PRO 44 Cb 0.00 -3.37 0.25 0.00 0.04 0.00 0.00 34.50 31.42 1qcv s PRO 44 CO 0.00 0.33 1.90 0.87 0.04 0.00 0.00 177.00 180.14 1qcv h LYS 45 N 6.09 1.16 -3.30 4.56 1.79 -2.00 -3.14 116.57 121.73 1qcv h LYS 45 Ca -0.44 -0.07 -0.58 0.00 -2.18 0.00 0.00 60.65 57.38 1qcv h LYS 45 Cb 1.19 -0.26 0.02 0.00 -1.58 0.00 0.00 32.23 31.60 1qcv h LYS 45 CO 0.71 0.77 3.32 0.45 -1.08 0.00 0.00 179.45 183.62 1qcv n SER 46 N -4.48 6.82 -0.73 0.86 2.88 -1.26 -3.76 113.62 113.96 1qcv n SER 46 Ca 0.11 -2.52 -0.01 0.00 -1.33 0.00 0.00 58.87 55.12 1qcv n SER 46 Cb 0.05 -1.40 -0.01 0.00 -0.75 0.00 0.00 64.21 62.10 1qcv n SER 46 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1qcv n GLU 47 N 4.15 0.00 -1.48 -1.46 4.07 -1.19 -5.13 120.64 119.61 1qcv n GLU 47 Ca 0.64 -0.68 0.00 0.00 -0.06 0.00 0.00 57.16 57.06 1qcv n GLU 47 Cb 0.22 -0.01 0.00 0.00 -0.06 0.00 0.00 31.44 31.59 1qcv n GLU 47 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 1qcv n PHE 48 N 0.06 -0.67 -3.65 4.31 3.01 -1.25 -4.26 117.46 115.02 1qcv n PHE 48 Ca -0.05 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.37 1qcv n PHE 48 Cb 0.67 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 40.08 1qcv n PHE 48 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 1qcv s GLU 49 N -1.47 0.63 1.09 -1.08 2.56 0.08 -4.85 118.70 115.66 1qcv s GLU 49 Ca 0.00 1.37 -0.12 0.00 0.00 0.00 0.00 54.97 56.23 1qcv s GLU 49 Cb 0.00 0.60 0.25 0.00 2.00 0.00 0.00 34.13 36.98 1qcv s GLU 49 CO 0.00 -0.18 1.06 0.15 -0.56 0.00 0.00 175.26 175.73 1qcv s LYS 50 N 2.43 -0.39 0.21 4.30 1.02 -1.26 0.37 119.74 126.42 1qcv s LYS 50 Ca -0.08 1.11 0.14 0.00 0.02 0.00 0.00 55.97 57.17 1qcv s LYS 50 Cb -0.09 -1.60 -0.02 0.00 -0.52 0.00 0.00 37.83 35.60 1qcv s LYS 50 CO -0.19 -3.45 1.27 1.25 -0.92 0.00 0.00 175.35 173.31 1qcv h LEU 51 N -2.44 0.00 -9.47 3.17 6.46 -1.85 -3.42 115.31 107.76 1qcv h LEU 51 Ca -0.56 0.00 -0.30 0.00 -0.12 0.00 0.00 57.88 56.90 1qcv h LEU 51 Cb 1.31 0.00 0.17 0.00 -0.73 0.00 0.00 40.66 41.42 1qcv h LEU 51 CO 0.47 0.59 -0.28 -1.84 -0.62 0.00 0.00 178.44 176.75 1qcv n GLU 52 N -3.16 -3.17 0.00 1.25 0.28 -1.26 -5.06 120.64 109.52 1qcv n GLU 52 Ca -0.01 -0.94 0.00 0.00 -0.16 0.00 0.00 57.16 56.05 1qcv n GLU 52 Cb 0.79 -1.69 0.00 0.00 1.43 0.00 0.00 31.44 31.97 1qcv n GLU 52 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50