#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ccq s LYS 2 N 0.00 3.09 -0.02 3.23 -2.85 -1.26 -1.96 119.74 119.97 1ccq s LYS 2 Ca 0.00 -0.78 0.03 0.00 -1.00 0.00 0.00 55.97 54.22 1ccq s LYS 2 Cb 0.00 -2.65 -0.03 0.00 -2.06 0.00 0.00 37.83 33.09 1ccq s LYS 2 CO 0.00 -0.17 -0.11 0.00 0.10 0.00 0.00 175.35 175.17 1ccq s LYS 4 N -1.11 3.50 0.12 0.00 1.02 -1.26 -2.17 119.74 119.84 1ccq s LYS 4 Ca 0.14 -0.37 0.01 0.00 0.02 0.00 0.00 55.97 55.77 1ccq s LYS 4 Cb -0.11 -2.91 0.01 0.00 -0.52 0.00 0.00 37.83 34.31 1ccq s LYS 4 CO 0.04 0.48 0.08 1.63 -0.92 0.00 0.00 175.35 176.66 1ccq n LYS 5 N -0.32 1.35 -3.76 1.68 4.76 -1.00 -4.16 118.16 116.71 1ccq n LYS 5 Ca -0.05 -0.76 -0.36 0.00 -2.87 0.00 0.00 58.31 54.27 1ccq n LYS 5 Cb 0.53 0.09 -0.07 0.00 -1.84 0.00 0.00 35.03 33.74 1ccq n LYS 5 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1ccq s LEU 6 N 0.00 4.33 0.77 -0.35 1.02 -1.26 -4.78 118.68 118.41 1ccq s LEU 6 Ca 0.06 0.45 -0.17 0.00 0.02 0.00 0.00 54.13 54.50 1ccq s LEU 6 Cb -0.00 -2.16 -0.10 0.00 0.02 0.00 0.00 46.19 43.94 1ccq s LEU 6 CO 0.04 0.30 -0.12 0.52 0.02 0.00 0.00 176.35 177.11 1ccq n VAL 7 N 2.61 0.51 1.50 -1.59 0.31 -1.26 -1.44 118.33 118.97 1ccq n VAL 7 Ca -0.17 -0.44 0.11 0.00 -0.01 0.00 0.00 64.34 63.82 1ccq n VAL 7 Cb 0.53 -0.27 0.65 0.00 -0.91 0.00 0.00 33.84 33.85 1ccq n VAL 7 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1ccq n PRO 8 N 0.91 0.75 -1.80 5.55 -0.04 -1.26 -5.03 135.00 134.08 1ccq n PRO 8 Ca 0.05 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.09 1ccq n PRO 8 Cb 0.51 -1.46 -0.02 0.00 -0.04 0.00 0.00 33.50 32.49 1ccq n PRO 8 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1ccq s LEU 9 N -1.91 4.36 0.00 1.53 0.20 -0.52 -5.00 118.68 117.34 1ccq s LEU 9 Ca 0.33 2.85 0.00 0.00 0.69 0.00 0.00 54.13 58.00 1ccq s LEU 9 Cb 0.15 -3.61 0.00 0.00 -0.43 0.00 0.00 46.19 42.30 1ccq s LEU 9 CO 0.25 -0.91 0.00 0.33 -0.29 0.00 0.00 176.35 175.73 1ccq n PHE 10 N 3.17 0.00 -3.43 5.38 7.35 -1.26 -4.07 117.46 124.60 1ccq n PHE 10 Ca 0.12 0.00 -0.34 0.00 -0.76 0.00 0.00 57.45 56.47 1ccq n PHE 10 Cb 0.37 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 40.14 1ccq n PHE 10 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 1ccq s SER 11 N -1.00 6.73 -0.05 -2.13 1.04 -1.26 -2.37 113.70 114.66 1ccq s SER 11 Ca 0.00 0.96 -0.13 0.00 0.48 0.00 0.00 55.95 57.26 1ccq s SER 11 Cb 0.00 -2.24 0.02 0.00 0.10 0.00 0.00 66.02 63.90 1ccq s SER 11 CO 0.00 0.08 0.30 -0.75 0.98 0.00 0.00 173.24 173.86 1ccq s LYS 12 N -2.14 0.56 -0.09 4.02 2.47 -0.92 -4.97 119.74 118.67 1ccq s LYS 12 Ca 0.39 0.01 -0.26 0.00 -1.56 0.00 0.00 55.97 54.55 1ccq s LYS 12 Cb -0.14 0.25 -0.03 0.00 -1.46 0.00 0.00 37.83 36.46 1ccq s LYS 12 CO 0.19 -0.13 0.82 0.99 0.16 0.00 0.00 175.35 177.38 1ccq s THR 13 N -0.82 4.94 -0.28 3.43 2.01 -1.26 -1.82 115.64 121.84 1ccq s THR 13 Ca -0.09 1.67 -0.35 0.00 0.31 0.00 0.00 61.69 63.23 1ccq s THR 13 Cb -0.04 -4.15 -0.11 0.00 0.01 0.00 0.00 72.50 68.21 1ccq s THR 13 CO 0.03 0.15 2.09 0.00 -0.69 0.00 0.00 174.62 176.19 1ccq s PRO 15 N 5.56 1.81 0.04 0.00 0.04 -1.26 -4.81 135.00 136.38 1ccq s PRO 15 Ca 1.04 0.54 -0.38 0.00 0.04 0.00 0.00 61.00 62.24 1ccq s PRO 15 Cb -0.79 -1.90 -0.19 0.00 0.04 0.00 0.00 34.50 31.66 1ccq s PRO 15 CO 0.50 -1.79 1.05 0.00 0.04 0.00 0.00 177.00 176.80 1ccq n ALA 16 N -3.53 -3.06 0.00 8.56 0.00 -1.26 -1.56 120.51 119.66 1ccq n ALA 16 Ca 0.07 0.56 0.00 0.00 0.00 0.00 0.00 53.44 54.07 1ccq n ALA 16 Cb 0.57 -1.80 0.00 0.00 0.00 0.00 0.00 19.45 18.22 1ccq n ALA 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ccq n GLY 17 N 1.72 3.18 3.46 0.00 0.00 -1.26 -5.04 105.19 107.24 1ccq n GLY 17 Ca 0.19 -1.03 -0.33 0.00 0.00 0.00 0.00 46.02 44.85 1ccq n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ccq s LYS 18 N 0.00 3.28 0.00 1.61 3.01 -0.60 -4.20 119.74 122.84 1ccq s LYS 18 Ca 0.00 -0.61 0.00 0.00 -1.01 0.00 0.00 55.97 54.35 1ccq s LYS 18 Cb 0.00 -2.69 0.00 0.00 -1.01 0.00 0.00 37.83 34.13 1ccq s LYS 18 CO 0.00 0.35 0.60 0.09 0.51 0.00 0.00 175.35 176.89 1ccq n ASN 19 N 3.17 0.53 -4.22 2.83 3.02 -1.00 -4.31 115.26 115.28 1ccq n ASN 19 Ca -0.18 -1.25 -0.13 0.00 -0.03 0.00 0.00 54.58 52.99 1ccq n ASN 19 Cb 0.53 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.59 1ccq n ASN 19 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1ccq s LEU 20 N -0.25 2.50 -0.12 3.41 1.43 -0.98 -4.90 118.68 119.77 1ccq s LEU 20 Ca 0.00 -0.97 -0.01 0.00 -1.03 0.00 0.00 54.13 52.12 1ccq s LEU 20 Cb 0.00 -0.28 -0.02 0.00 0.03 0.00 0.00 46.19 45.91 1ccq s LEU 20 CO 0.00 -0.34 -0.08 0.00 0.23 0.00 0.00 176.35 176.15 1ccq s TYR 22 N 0.00 2.81 -0.20 0.00 -0.85 -0.59 -2.22 117.35 116.31 1ccq s TYR 22 Ca -0.01 -0.08 -0.05 0.00 -0.52 0.00 0.00 57.07 56.41 1ccq s TYR 22 Cb -0.14 -1.65 0.07 0.00 0.38 0.00 0.00 41.96 40.62 1ccq s TYR 22 CO 0.03 0.27 0.11 0.21 -1.52 0.00 0.00 175.55 174.65 1ccq s LYS 23 N -0.89 0.09 -0.15 -3.49 2.36 -0.92 -2.34 119.74 114.40 1ccq s LYS 23 Ca 0.13 -0.15 -0.08 0.00 -2.55 0.00 0.00 55.97 53.32 1ccq s LYS 23 Cb -0.11 -1.66 -0.04 0.00 -1.05 0.00 0.00 37.83 34.97 1ccq s LYS 23 CO 0.02 -0.74 0.15 1.41 1.55 0.00 0.00 175.35 177.74 1ccq s MET 24 N 2.15 3.74 0.35 4.03 -2.45 -0.48 -2.31 119.30 124.32 1ccq s MET 24 Ca 0.04 -0.14 -0.01 0.00 -1.25 0.00 0.00 55.69 54.32 1ccq s MET 24 Cb -0.16 -3.28 0.00 0.00 1.25 0.00 0.00 34.83 32.64 1ccq s MET 24 CO -0.15 0.59 0.46 -0.59 1.05 0.00 0.00 175.02 176.39 1ccq s PHE 25 N -0.50 1.16 -0.07 4.11 -0.71 -0.96 -1.61 117.98 119.41 1ccq s PHE 25 Ca 0.13 -1.35 -0.19 0.00 -1.04 0.00 0.00 56.93 54.48 1ccq s PHE 25 Cb -0.12 -0.15 -0.05 0.00 -1.21 0.00 0.00 43.02 41.49 1ccq s PHE 25 CO 0.02 -1.12 0.53 -1.64 -1.34 0.00 0.00 175.22 171.67 1ccq s MET 26 N -3.04 4.30 -0.86 1.99 -1.94 -1.26 -1.76 119.30 116.74 1ccq s MET 26 Ca 0.32 0.58 -0.24 0.00 -1.71 0.00 0.00 55.69 54.64 1ccq s MET 26 Cb -0.00 -3.39 -0.17 0.00 2.01 0.00 0.00 34.83 33.28 1ccq s MET 26 CO 0.22 0.26 1.90 0.28 -0.01 0.00 0.00 175.02 177.67 1ccq n VAL 27 N 3.21 1.46 0.00 -6.03 0.31 -1.03 -2.17 118.33 114.09 1ccq n VAL 27 Ca -0.07 -1.40 0.00 0.00 -0.01 0.00 0.00 64.34 62.86 1ccq n VAL 27 Cb 0.51 -2.19 0.00 0.00 -0.91 0.00 0.00 33.84 31.25 1ccq n VAL 27 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ccq n ALA 28 N 11.39 0.00 -3.82 3.52 0.00 -1.26 -5.06 120.51 125.28 1ccq n ALA 28 Ca 0.47 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.61 1ccq n ALA 28 Cb 0.43 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.73 1ccq n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ccq s ALA 29 N -1.08 1.68 -0.55 0.00 0.00 -0.92 -4.97 121.76 115.91 1ccq s ALA 29 Ca 0.00 -1.45 0.25 0.00 0.00 0.00 0.00 51.96 50.76 1ccq s ALA 29 Cb 0.00 -1.51 0.90 0.00 0.00 0.00 0.00 23.12 22.51 1ccq s ALA 29 CO 0.00 -1.43 1.75 -1.00 0.00 0.00 0.00 175.76 175.09 1ccq h PRO 30 N 8.04 0.00 -0.63 0.00 0.13 -1.99 -2.61 132.00 134.94 1ccq h PRO 30 Ca -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 1ccq h PRO 30 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1ccq h PRO 30 CO 0.43 0.00 0.00 1.58 -0.23 0.00 0.00 178.00 179.78 1ccq n HIS 31 N -2.35 1.78 -3.73 1.56 -0.00 -1.26 -4.66 115.22 106.57 1ccq n HIS 31 Ca 0.04 -0.64 -0.29 0.00 0.46 0.00 0.00 57.72 57.29 1ccq n HIS 31 Cb 0.34 -0.42 -0.13 0.00 -0.12 0.00 0.00 29.99 29.67 1ccq n HIS 31 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 1ccq s VAL 32 N -2.41 1.54 0.48 3.57 1.01 -0.98 -5.11 120.40 118.50 1ccq s VAL 32 Ca 0.50 -2.73 -0.21 0.00 0.00 0.00 0.00 61.98 59.54 1ccq s VAL 32 Cb 0.36 -2.07 -0.09 0.00 0.00 0.00 0.00 36.38 34.58 1ccq s VAL 32 CO 0.17 -0.91 1.04 -2.16 0.00 0.00 0.00 175.10 173.24 1ccq s PRO 33 N 0.17 3.83 -0.01 2.72 0.04 -1.26 -4.21 135.00 136.27 1ccq s PRO 33 Ca 0.19 1.37 -0.07 0.00 0.04 0.00 0.00 61.00 62.54 1ccq s PRO 33 Cb -0.22 -2.13 -0.02 0.00 0.04 0.00 0.00 34.50 32.17 1ccq s PRO 33 CO -0.02 -0.41 -0.13 0.28 0.04 0.00 0.00 177.00 176.76 1ccq n VAL 34 N -0.90 1.22 -4.37 -0.36 0.31 -0.63 -5.00 118.33 108.60 1ccq n VAL 34 Ca 0.09 0.29 -0.19 0.00 -0.01 0.00 0.00 64.34 64.52 1ccq n VAL 34 Cb 0.52 -1.84 -0.15 0.00 -0.91 0.00 0.00 33.84 31.47 1ccq n VAL 34 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1ccq s LYS 35 N -2.24 0.79 -0.07 5.55 1.02 -1.01 -5.02 119.74 118.74 1ccq s LYS 35 Ca -0.11 -0.31 -0.03 0.00 0.02 0.00 0.00 55.97 55.54 1ccq s LYS 35 Cb 0.01 -0.75 0.04 0.00 -0.52 0.00 0.00 37.83 36.61 1ccq s LYS 35 CO 0.16 0.17 0.14 1.03 -0.92 0.00 0.00 175.35 175.93 1ccq s ARG 36 N -0.08 0.04 0.00 1.68 0.52 -1.26 -1.39 118.95 118.46 1ccq s ARG 36 Ca 0.02 0.47 0.00 0.00 -0.52 0.00 0.00 55.73 55.69 1ccq s ARG 36 Cb -0.05 -0.26 0.00 0.00 0.52 0.00 0.00 34.95 35.16 1ccq s ARG 36 CO -0.00 -0.26 0.00 0.41 0.02 0.00 0.00 175.30 175.47 1ccq n GLY 37 N 4.90 2.56 3.98 -3.53 0.00 -0.99 -4.03 105.19 108.08 1ccq n GLY 37 Ca -0.13 -0.80 -0.21 0.00 0.00 0.00 0.00 46.02 44.89 1ccq n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ccq s ILE 39 N -2.71 0.00 -0.20 0.00 2.07 -0.57 -4.66 121.20 115.13 1ccq s ILE 39 Ca 0.57 0.00 -0.15 0.00 -1.41 0.00 0.00 60.65 59.66 1ccq s ILE 39 Cb -0.10 -1.00 -0.08 0.00 0.13 0.00 0.00 42.46 41.41 1ccq s ILE 39 CO 0.38 0.00 -0.33 -0.67 -1.91 0.00 0.00 174.94 172.41 1ccq n ASP 40 N -0.15 1.85 -4.47 4.50 2.03 -1.26 -2.32 116.55 116.73 1ccq n ASP 40 Ca -0.09 0.32 -0.33 0.00 0.52 0.00 0.00 54.79 55.20 1ccq n ASP 40 Cb 0.61 -0.73 -0.13 0.00 -0.72 0.00 0.00 41.12 40.15 1ccq n ASP 40 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1ccq s VAL 41 N -2.68 3.66 -0.30 5.18 0.11 -1.26 -4.70 120.40 120.42 1ccq s VAL 41 Ca -0.31 -0.45 -0.29 0.00 -2.93 0.00 0.00 61.98 58.00 1ccq s VAL 41 Cb 0.08 -2.58 0.01 0.00 -1.53 0.00 0.00 36.38 32.37 1ccq s VAL 41 CO 0.42 0.51 1.08 0.00 -3.33 0.00 0.00 175.10 173.79 1ccq s PRO 43 N 3.58 -0.23 0.51 0.00 0.04 -1.26 -5.06 135.00 132.59 1ccq s PRO 43 Ca 0.46 -0.23 -0.05 0.00 0.04 0.00 0.00 61.00 61.22 1ccq s PRO 43 Cb -0.13 -1.73 -0.02 0.00 0.04 0.00 0.00 34.50 32.66 1ccq s PRO 43 CO 0.14 -3.02 0.82 0.21 0.04 0.00 0.00 177.00 175.18 1ccq s LYS 44 N -5.64 3.35 0.29 4.56 2.20 -1.26 -4.94 119.74 118.31 1ccq s LYS 44 Ca 0.72 0.13 0.03 0.00 -0.36 0.00 0.00 55.97 56.49 1ccq s LYS 44 Cb -0.07 -2.34 -0.03 0.00 -1.51 0.00 0.00 37.83 33.87 1ccq s LYS 44 CO 0.54 -0.36 0.46 -1.12 -0.36 0.00 0.00 175.35 174.51 1ccq s SER 45 N -4.17 6.31 0.35 1.43 0.01 -1.26 -4.68 113.70 111.69 1ccq s SER 45 Ca 0.49 0.27 0.01 0.00 1.31 0.00 0.00 55.95 58.03 1ccq s SER 45 Cb -0.10 -1.95 -0.00 0.00 0.21 0.00 0.00 66.02 64.18 1ccq s SER 45 CO 0.45 -0.18 0.03 -1.54 0.41 0.00 0.00 173.24 172.40 1ccq n SER 46 N -1.60 2.51 0.11 2.44 3.41 -0.59 -5.01 113.62 114.89 1ccq n SER 46 Ca -0.07 -2.59 0.12 0.00 -0.26 0.00 0.00 58.87 56.08 1ccq n SER 46 Cb 0.57 0.39 0.20 0.00 -0.26 0.00 0.00 64.21 65.10 1ccq n SER 46 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1ccq h LEU 47 N 0.00 0.00 0.00 1.04 3.38 -2.02 -3.39 115.31 114.32 1ccq h LEU 47 Ca -0.28 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1ccq h LEU 47 Cb 0.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1ccq h LEU 47 CO 0.46 0.04 -0.08 -0.11 0.09 0.00 0.00 178.44 178.85 1ccq n LEU 48 N -2.43 0.23 -4.86 1.67 -0.00 -1.26 -4.79 117.00 105.56 1ccq n LEU 48 Ca 0.03 0.22 -0.27 0.00 -0.00 0.00 0.00 56.01 56.00 1ccq n LEU 48 Cb 0.47 -0.54 -0.05 0.00 -0.00 0.00 0.00 43.42 43.31 1ccq n LEU 48 CO 0.35 -0.49 -0.17 0.68 -0.00 0.00 0.00 177.39 177.76 1ccq s VAL 49 N -1.18 4.86 -0.12 1.96 -7.23 -1.26 -2.48 120.40 114.96 1ccq s VAL 49 Ca -0.02 -0.86 0.01 0.00 -1.81 0.00 0.00 61.98 59.29 1ccq s VAL 49 Cb 0.00 -3.48 0.02 0.00 0.56 0.00 0.00 36.38 33.49 1ccq s VAL 49 CO 0.03 -0.07 -0.12 -0.75 -0.31 0.00 0.00 175.10 173.88 1ccq s LYS 50 N -3.06 1.98 -0.71 4.82 2.47 -0.72 -1.55 119.74 122.97 1ccq s LYS 50 Ca 0.32 -0.45 -0.10 0.00 -1.56 0.00 0.00 55.97 54.19 1ccq s LYS 50 Cb -0.11 -1.83 0.18 0.00 -1.46 0.00 0.00 37.83 34.62 1ccq s LYS 50 CO 0.25 -0.18 0.60 0.71 0.16 0.00 0.00 175.35 176.89 1ccq s TYR 51 N 1.38 3.58 -0.21 4.03 2.02 -1.26 -2.26 117.35 124.63 1ccq s TYR 51 Ca 0.01 -2.20 -0.19 0.00 -0.37 0.00 0.00 57.07 54.32 1ccq s TYR 51 Cb -0.13 -3.57 -0.03 0.00 -0.40 0.00 0.00 41.96 37.82 1ccq s TYR 51 CO -0.07 -0.94 0.53 0.08 -1.57 0.00 0.00 175.55 173.58 1ccq s VAL 52 N 0.27 5.09 0.23 0.71 1.01 -0.98 -4.76 120.40 121.97 1ccq s VAL 52 Ca 0.16 0.97 0.07 0.00 0.00 0.00 0.00 61.98 63.17 1ccq s VAL 52 Cb -0.16 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 1ccq s VAL 52 CO -0.06 0.16 0.14 0.00 0.00 0.00 0.00 175.10 175.35 1ccq n ASN 55 N 1.61 6.41 -4.09 0.00 0.23 -1.26 -2.51 115.26 115.64 1ccq n ASN 55 Ca -0.20 -3.79 -0.09 0.00 -0.53 0.00 0.00 54.58 49.97 1ccq n ASN 55 Cb 0.56 -0.82 -0.10 0.00 -2.08 0.00 0.00 39.78 37.33 1ccq n ASN 55 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 1ccq s THR 56 N -5.25 0.39 0.48 5.53 -4.23 -1.26 -5.05 115.64 106.24 1ccq s THR 56 Ca 0.51 -1.61 -0.22 0.00 -1.18 0.00 0.00 61.69 59.19 1ccq s THR 56 Cb 0.42 -1.25 -0.07 0.00 1.34 0.00 0.00 72.50 72.95 1ccq s THR 56 CO -0.32 -0.80 1.12 -1.81 -0.54 0.00 0.00 174.62 172.27 1ccq s ASP 57 N -2.55 6.14 -1.47 3.99 1.11 -1.26 -3.21 116.67 119.42 1ccq s ASP 57 Ca 0.03 2.19 -0.03 0.00 0.18 0.00 0.00 52.55 54.91 1ccq s ASP 57 Cb 0.02 -2.59 0.03 0.00 1.07 0.00 0.00 42.92 41.45 1ccq s ASP 57 CO -0.06 -0.93 0.08 2.29 1.18 0.00 0.00 175.17 177.73 1ccq n LYS 58 N -0.73 -0.91 -0.12 8.23 0.00 -0.82 -4.80 118.16 119.01 1ccq n LYS 58 Ca 0.08 0.09 -0.26 0.00 -0.00 0.00 0.00 58.31 58.23 1ccq n LYS 58 Cb 0.50 -3.44 -0.11 0.00 -0.00 0.00 0.00 35.03 31.97 1ccq n LYS 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40