#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 2.09 0.12 3.23 2.20 -1.26 -1.71 119.74 124.41 1ccq s LYS 2 Ca 0.00 -1.57 0.06 0.00 -0.36 0.00 0.00 55.97 54.10 1ccq s LYS 2 Cb 0.00 -3.29 -0.04 0.00 -1.51 0.00 0.00 37.83 32.99 1ccq s LYS 2 CO 0.00 -0.82 -0.02 0.00 -0.36 0.00 0.00 175.35 174.15 1ccq s LYS 4 N -2.48 3.50 0.00 0.00 1.02 -1.26 -2.00 119.74 118.51 1ccq s LYS 4 Ca 0.25 -0.41 0.00 0.00 0.02 0.00 0.00 55.97 55.84 1ccq s LYS 4 Cb -0.11 -2.82 0.00 0.00 -0.52 0.00 0.00 37.83 34.38 1ccq s LYS 4 CO 0.17 0.37 0.00 1.63 -0.92 0.00 0.00 175.35 176.61 1ccq n LYS 5 N -0.93 2.12 -2.45 1.68 4.01 -1.06 -4.39 118.16 117.15 1ccq n LYS 5 Ca -0.05 0.00 -0.24 0.00 -0.51 0.00 0.00 58.31 57.51 1ccq n LYS 5 Cb 0.55 0.00 0.09 0.00 -0.51 0.00 0.00 35.03 35.16 1ccq n LYS 5 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1ccq s LEU 6 N 0.00 2.98 0.14 -0.35 1.02 -1.26 -4.59 118.68 116.62 1ccq s LEU 6 Ca 0.00 -0.04 -0.32 0.00 0.02 0.00 0.00 54.13 53.79 1ccq s LEU 6 Cb 0.00 -2.46 -0.18 0.00 0.02 0.00 0.00 46.19 43.57 1ccq s LEU 6 CO 0.00 -1.73 0.72 0.55 0.02 0.00 0.00 176.35 175.91 1ccq n VAL 7 N -2.84 1.38 -2.16 -1.59 3.14 -1.26 -4.27 118.33 110.73 1ccq n VAL 7 Ca 0.12 -0.34 -0.33 0.00 -2.96 0.00 0.00 64.34 60.83 1ccq n VAL 7 Cb 0.60 -0.06 -0.00 0.00 -1.06 0.00 0.00 33.84 33.32 1ccq n VAL 7 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1ccq s PRO 8 N -0.70 3.47 -0.45 1.45 0.04 -1.26 -5.02 135.00 132.53 1ccq s PRO 8 Ca 0.72 1.19 -0.27 0.00 0.04 0.00 0.00 61.00 62.69 1ccq s PRO 8 Cb -1.02 -2.05 -0.07 0.00 0.04 0.00 0.00 34.50 31.40 1ccq s PRO 8 CO 0.56 -0.69 2.39 -0.11 0.04 0.00 0.00 177.00 179.19 1ccq n LEU 9 N -1.82 2.45 -3.76 -3.56 0.00 -1.26 -4.88 117.00 104.17 1ccq n LEU 9 Ca 0.09 -0.34 -0.13 0.00 0.00 0.00 0.00 56.01 55.62 1ccq n LEU 9 Cb 0.53 -1.56 -0.09 0.00 0.00 0.00 0.00 43.42 42.29 1ccq n LEU 9 CO 0.46 -1.37 0.01 0.12 0.00 0.00 0.00 177.39 176.61 1ccq s PHE 10 N 11.34 -0.24 0.03 1.96 5.36 -1.26 -5.09 117.98 130.08 1ccq s PHE 10 Ca 1.00 0.49 0.01 0.00 -0.96 0.00 0.00 56.93 57.47 1ccq s PHE 10 Cb -0.24 0.10 -0.04 0.00 -0.34 0.00 0.00 43.02 42.50 1ccq s PHE 10 CO 0.29 -0.31 0.08 -1.54 -1.46 0.00 0.00 175.22 172.28 1ccq s SER 11 N -0.77 5.62 -0.00 6.13 1.04 -1.26 -2.55 113.70 121.91 1ccq s SER 11 Ca -0.09 0.08 -0.18 0.00 0.48 0.00 0.00 55.95 56.25 1ccq s SER 11 Cb -0.04 -1.57 0.03 0.00 0.10 0.00 0.00 66.02 64.54 1ccq s SER 11 CO 0.03 0.23 0.38 -0.75 0.98 0.00 0.00 173.24 174.11 1ccq s LYS 12 N -2.01 0.79 -0.23 4.02 2.47 -0.85 -5.00 119.74 118.92 1ccq s LYS 12 Ca 0.26 -0.20 -0.22 0.00 -1.56 0.00 0.00 55.97 54.25 1ccq s LYS 12 Cb -0.12 0.35 -0.02 0.00 -1.46 0.00 0.00 37.83 36.59 1ccq s LYS 12 CO 0.17 -0.24 0.70 0.99 0.16 0.00 0.00 175.35 177.14 1ccq s THR 13 N -1.66 4.94 -0.35 3.43 2.01 -1.26 -1.64 115.64 121.11 1ccq s THR 13 Ca -0.11 1.31 -0.40 0.00 0.31 0.00 0.00 61.69 62.80 1ccq s THR 13 Cb -0.03 -4.00 -0.16 0.00 0.01 0.00 0.00 72.50 68.32 1ccq s THR 13 CO 0.03 0.01 1.87 0.00 -0.69 0.00 0.00 174.62 175.84 1ccq s PRO 15 N 4.35 1.58 0.07 0.00 0.04 -1.26 -4.81 135.00 134.97 1ccq s PRO 15 Ca 1.04 0.45 -0.36 0.00 0.04 0.00 0.00 61.00 62.17 1ccq s PRO 15 Cb -1.13 -1.88 -0.19 0.00 0.04 0.00 0.00 34.50 31.34 1ccq s PRO 15 CO 0.64 -1.93 0.91 0.00 0.04 0.00 0.00 177.00 176.67 1ccq n ALA 16 N -3.61 -3.22 0.00 8.56 0.00 -1.26 -1.79 120.51 119.19 1ccq n ALA 16 Ca 0.07 0.54 0.00 0.00 0.00 0.00 0.00 53.44 54.05 1ccq n ALA 16 Cb 0.58 -1.73 0.00 0.00 0.00 0.00 0.00 19.45 18.30 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 1.70 3.17 3.28 0.00 0.00 -1.26 -5.04 105.19 107.03 1ccq n GLY 17 Ca 0.19 -1.04 -0.32 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 2.88 0.00 1.61 1.02 -0.74 -3.99 119.74 120.52 1ccq s LYS 18 Ca 0.00 -0.85 0.00 0.00 0.02 0.00 0.00 55.97 55.14 1ccq s LYS 18 Cb 0.00 -2.30 0.00 0.00 -0.52 0.00 0.00 37.83 35.01 1ccq s LYS 18 CO 0.00 0.29 0.60 0.09 -0.92 0.00 0.00 175.35 175.41 1ccq n ASN 19 N 3.23 0.79 -4.25 2.83 4.13 -0.90 -4.27 115.26 116.83 1ccq n ASN 19 Ca -0.18 -1.34 -0.14 0.00 1.68 0.00 0.00 54.58 54.60 1ccq n ASN 19 Cb 0.52 0.00 -0.10 0.00 -1.54 0.00 0.00 39.78 38.66 1ccq n ASN 19 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1ccq s LEU 20 N -0.34 2.53 -0.16 3.41 1.43 -0.95 -4.91 118.68 119.69 1ccq s LEU 20 Ca 0.00 -1.01 -0.04 0.00 -1.03 0.00 0.00 54.13 52.04 1ccq s LEU 20 Cb 0.00 -0.34 -0.03 0.00 0.03 0.00 0.00 46.19 45.85 1ccq s LEU 20 CO 0.00 -0.33 -0.02 0.00 0.23 0.00 0.00 176.35 176.23 1ccq s TYR 22 N 0.42 2.95 -0.15 0.00 -0.85 -0.67 -2.01 117.35 117.05 1ccq s TYR 22 Ca -0.02 0.01 -0.04 0.00 -0.52 0.00 0.00 57.07 56.50 1ccq s TYR 22 Cb -0.14 -1.73 0.06 0.00 0.38 0.00 0.00 41.96 40.53 1ccq s TYR 22 CO 0.02 0.32 0.09 0.21 -1.52 0.00 0.00 175.55 174.67 1ccq s LYS 23 N -0.76 0.04 -0.12 -3.49 2.36 -0.87 -2.27 119.74 114.63 1ccq s LYS 23 Ca 0.12 0.02 -0.07 0.00 -2.55 0.00 0.00 55.97 53.48 1ccq s LYS 23 Cb -0.11 -1.55 -0.04 0.00 -1.05 0.00 0.00 37.83 35.08 1ccq s LYS 23 CO 0.02 -0.60 0.14 1.41 1.55 0.00 0.00 175.35 177.86 1ccq s MET 24 N 2.15 3.46 0.11 4.03 -2.45 -0.90 -2.04 119.30 123.66 1ccq s MET 24 Ca 0.03 -0.13 -0.12 0.00 -1.25 0.00 0.00 55.69 54.22 1ccq s MET 24 Cb -0.15 -3.19 0.01 0.00 1.25 0.00 0.00 34.83 32.75 1ccq s MET 24 CO -0.08 0.77 0.28 -0.59 1.05 0.00 0.00 175.02 176.45 1ccq s PHE 25 N -0.99 0.01 -0.18 4.11 -0.12 -0.97 -1.77 117.98 118.07 1ccq s PHE 25 Ca 0.15 -0.39 -0.20 0.00 -0.05 0.00 0.00 56.93 56.43 1ccq s PHE 25 Cb -0.12 0.07 -0.03 0.00 -0.63 0.00 0.00 43.02 42.32 1ccq s PHE 25 CO 0.04 -0.62 0.60 -1.64 -0.05 0.00 0.00 175.22 173.55 1ccq s MET 26 N -3.84 4.24 -1.01 1.99 -1.94 -1.26 -1.91 119.30 115.57 1ccq s MET 26 Ca 0.04 0.58 -0.24 0.00 -1.71 0.00 0.00 55.69 54.37 1ccq s MET 26 Cb 0.04 -3.55 -0.14 0.00 2.01 0.00 0.00 34.83 33.18 1ccq s MET 26 CO -0.11 -0.16 1.93 0.28 -0.01 0.00 0.00 175.02 176.96 1ccq n VAL 27 N 4.48 1.51 0.00 -6.03 0.31 -1.08 -2.33 118.33 115.20 1ccq n VAL 27 Ca -0.03 -1.51 0.00 0.00 -0.01 0.00 0.00 64.34 62.80 1ccq n VAL 27 Cb 0.50 -2.17 0.00 0.00 -0.91 0.00 0.00 33.84 31.26 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 13.32 0.00 -3.88 3.52 0.00 -1.26 -5.03 120.51 127.18 1ccq n ALA 28 Ca 0.46 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.61 1ccq n ALA 28 Cb 0.45 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.78 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 -0.96 3.88 -1.17 0.00 0.00 -0.98 -4.97 121.76 117.55 1ccq s ALA 29 Ca 0.00 -3.86 -0.07 0.00 0.00 0.00 0.00 51.96 48.03 1ccq s ALA 29 Cb 0.00 -2.23 -0.07 0.00 0.00 0.00 0.00 23.12 20.82 1ccq s ALA 29 CO 0.00 -2.10 2.49 -0.35 0.00 0.00 0.00 175.76 175.79 1ccq n PRO 30 N 1.97 2.72 0.00 0.00 -0.04 -1.26 -2.97 135.00 135.42 1ccq n PRO 30 Ca 0.20 -1.73 0.00 0.00 -0.04 0.00 0.00 63.50 61.93 1ccq n PRO 30 Cb 0.35 -2.57 0.00 0.00 -0.04 0.00 0.00 33.50 31.24 1ccq n PRO 30 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1ccq n HIS 31 N 3.88 -1.27 -3.76 0.54 -0.00 -1.26 -5.09 115.22 108.27 1ccq n HIS 31 Ca 0.58 0.00 -0.36 0.00 -0.00 0.00 0.00 57.72 57.94 1ccq n HIS 31 Cb 0.19 0.37 -0.10 0.00 -0.00 0.00 0.00 29.99 30.45 1ccq n HIS 31 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 1ccq s VAL 32 N -1.73 5.00 0.73 3.57 1.01 -1.16 -5.09 120.40 122.73 1ccq s VAL 32 Ca 0.00 0.06 -0.12 0.00 0.00 0.00 0.00 61.98 61.91 1ccq s VAL 32 Cb 0.00 -3.32 0.18 0.00 0.00 0.00 0.00 36.38 33.23 1ccq s VAL 32 CO 0.00 0.36 0.81 -0.81 0.00 0.00 0.00 175.10 175.46 1ccq n PRO 33 N 4.32 -1.64 0.05 2.72 -0.04 -1.26 -4.70 135.00 134.45 1ccq n PRO 33 Ca -0.15 -1.26 0.00 0.00 -0.04 0.00 0.00 63.50 62.04 1ccq n PRO 33 Cb 0.52 -1.00 0.00 0.00 -0.04 0.00 0.00 33.50 32.98 1ccq n PRO 33 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1ccq n VAL 34 N -3.64 0.71 -3.95 0.52 0.31 -0.73 -4.93 118.33 106.62 1ccq n VAL 34 Ca 0.11 0.24 -0.08 0.00 -0.01 0.00 0.00 64.34 64.59 1ccq n VAL 34 Cb 0.39 -1.38 -0.09 0.00 -0.91 0.00 0.00 33.84 31.85 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 -2.00 0.71 -0.27 5.55 1.02 -1.01 -5.02 119.74 118.71 1ccq s LYS 35 Ca 0.00 -1.01 -0.10 0.00 0.02 0.00 0.00 55.97 54.88 1ccq s LYS 35 Cb 0.00 0.27 0.11 0.00 -0.52 0.00 0.00 37.83 37.70 1ccq s LYS 35 CO 0.00 -0.19 0.61 1.03 -0.92 0.00 0.00 175.35 175.88 1ccq s ARG 36 N -3.63 0.55 0.00 1.68 3.00 -1.26 -2.11 118.95 117.17 1ccq s ARG 36 Ca 0.04 1.32 0.00 0.00 0.00 0.00 0.00 55.73 57.09 1ccq s ARG 36 Cb 0.05 0.63 0.00 0.00 0.00 0.00 0.00 34.95 35.62 1ccq s ARG 36 CO -0.09 -0.20 0.00 0.41 0.00 0.00 0.00 175.30 175.42 1ccq n GLY 37 N 5.21 3.12 3.97 -3.53 0.00 -0.96 -4.15 105.19 108.85 1ccq n GLY 37 Ca -0.13 -0.80 -0.21 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.02 0.05 -0.25 0.00 2.07 -0.67 -4.74 121.20 115.64 1ccq s ILE 39 Ca 0.36 -0.38 -0.15 0.00 -1.41 0.00 0.00 60.65 59.06 1ccq s ILE 39 Cb -0.09 -1.10 -0.10 0.00 0.13 0.00 0.00 42.46 41.30 1ccq s ILE 39 CO 0.29 -0.21 -0.34 -0.67 -1.91 0.00 0.00 174.94 172.11 1ccq n ASP 40 N -0.19 1.95 -4.41 4.50 2.03 -1.26 -2.11 116.55 117.06 1ccq n ASP 40 Ca -0.17 0.34 -0.32 0.00 0.52 0.00 0.00 54.79 55.16 1ccq n ASP 40 Cb 0.64 -0.80 -0.14 0.00 -0.72 0.00 0.00 41.12 40.09 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 -2.61 2.82 -0.31 5.18 0.11 -1.26 -4.67 120.40 119.65 1ccq s VAL 41 Ca -0.35 -0.80 -0.28 0.00 -2.93 0.00 0.00 61.98 57.62 1ccq s VAL 41 Cb 0.11 -2.10 0.01 0.00 -1.53 0.00 0.00 36.38 32.88 1ccq s VAL 41 CO 0.47 0.58 1.00 0.00 -3.33 0.00 0.00 175.10 173.82 1ccq s PRO 43 N 3.45 -0.05 0.39 0.00 0.04 -1.26 -5.05 135.00 132.52 1ccq s PRO 43 Ca 0.42 -0.16 -0.09 0.00 0.04 0.00 0.00 61.00 61.20 1ccq s PRO 43 Cb -0.13 -1.74 -0.06 0.00 0.04 0.00 0.00 34.50 32.61 1ccq s PRO 43 CO 0.14 -2.92 0.74 0.21 0.04 0.00 0.00 177.00 175.21 1ccq s LYS 44 N -5.60 3.75 0.37 4.56 2.47 -1.26 -4.95 119.74 119.07 1ccq s LYS 44 Ca 0.71 0.39 0.00 0.00 -1.56 0.00 0.00 55.97 55.51 1ccq s LYS 44 Cb -0.08 -2.43 -0.03 0.00 -1.46 0.00 0.00 37.83 33.83 1ccq s LYS 44 CO 0.54 0.00 0.58 -1.12 0.16 0.00 0.00 175.35 175.51 1ccq s SER 45 N -3.18 6.26 0.31 1.43 0.01 -1.26 -4.75 113.70 112.52 1ccq s SER 45 Ca 0.50 0.48 0.00 0.00 1.31 0.00 0.00 55.95 58.24 1ccq s SER 45 Cb -0.10 -2.01 -0.00 0.00 0.21 0.00 0.00 66.02 64.12 1ccq s SER 45 CO 0.31 -0.35 0.01 -1.54 0.41 0.00 0.00 173.24 172.08 1ccq n SER 46 N -1.85 2.66 0.13 2.44 3.41 -0.70 -5.02 113.62 114.70 1ccq n SER 46 Ca -0.04 -2.40 0.07 0.00 -0.26 0.00 0.00 58.87 56.24 1ccq n SER 46 Cb 0.56 0.28 0.04 0.00 -0.26 0.00 0.00 64.21 64.83 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 4.07 -2.03 -3.39 115.31 115.00 1ccq h LEU 47 Ca -0.26 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.70 1ccq h LEU 47 Cb 0.80 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.54 1ccq h LEU 47 CO 0.43 0.23 -0.25 -0.11 -1.08 0.00 0.00 178.44 177.66 1ccq n LEU 48 N -2.96 0.85 -4.95 1.67 7.94 -1.26 -4.85 117.00 113.44 1ccq n LEU 48 Ca -0.00 0.42 -0.23 0.00 -1.11 0.00 0.00 56.01 55.09 1ccq n LEU 48 Cb 0.64 -0.67 -0.02 0.00 0.53 0.00 0.00 43.42 43.90 1ccq n LEU 48 CO 0.39 -0.48 0.03 -0.69 -1.11 0.00 0.00 177.39 175.52 1ccq s VAL 49 N -1.59 5.21 -0.10 1.96 1.01 -1.26 -2.65 120.40 122.98 1ccq s VAL 49 Ca -0.07 -0.74 -0.02 0.00 0.00 0.00 0.00 61.98 61.15 1ccq s VAL 49 Cb 0.01 -3.84 0.04 0.00 0.00 0.00 0.00 36.38 32.59 1ccq s VAL 49 CO 0.11 -0.36 0.03 -0.75 0.00 0.00 0.00 175.10 174.12 1ccq s LYS 50 N -3.95 0.44 -0.54 2.72 2.20 -0.80 -1.71 119.74 118.10 1ccq s LYS 50 Ca 0.36 0.04 -0.11 0.00 -0.36 0.00 0.00 55.97 55.91 1ccq s LYS 50 Cb -0.10 -1.18 0.14 0.00 -1.51 0.00 0.00 37.83 35.18 1ccq s LYS 50 CO 0.31 -0.41 0.43 0.71 -0.36 0.00 0.00 175.35 176.04 1ccq s TYR 51 N 2.01 3.42 -0.20 4.03 1.51 -1.26 -2.29 117.35 124.57 1ccq s TYR 51 Ca 0.04 -1.82 -0.15 0.00 -1.01 0.00 0.00 57.07 54.12 1ccq s TYR 51 Cb -0.13 -3.58 -0.04 0.00 -0.11 0.00 0.00 41.96 38.09 1ccq s TYR 51 CO -0.06 -0.99 0.37 0.08 -1.11 0.00 0.00 175.55 173.85 1ccq s VAL 52 N 1.17 5.22 0.28 0.71 1.01 -0.86 -4.76 120.40 123.18 1ccq s VAL 52 Ca 0.07 0.66 0.08 0.00 0.00 0.00 0.00 61.98 62.79 1ccq s VAL 52 Cb -0.25 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 1ccq s VAL 52 CO -0.01 0.28 0.18 0.00 0.00 0.00 0.00 175.10 175.55 1ccq n ASN 55 N 0.80 6.00 -4.25 0.00 0.23 -1.26 -1.76 115.26 115.02 1ccq n ASN 55 Ca -0.19 -3.77 -0.17 0.00 -0.53 0.00 0.00 54.58 49.92 1ccq n ASN 55 Cb 0.58 -0.61 -0.11 0.00 -2.08 0.00 0.00 39.78 37.56 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 -4.79 1.33 0.54 5.53 -4.23 -1.26 -4.97 115.64 107.78 1ccq s THR 56 Ca 0.55 -1.83 -0.20 0.00 -1.18 0.00 0.00 61.69 59.04 1ccq s THR 56 Cb 0.44 -1.63 -0.06 0.00 1.34 0.00 0.00 72.50 72.59 1ccq s THR 56 CO -0.02 -0.50 1.12 -1.81 -0.54 0.00 0.00 174.62 172.87 1ccq s ASP 57 N -2.67 5.79 -1.66 3.99 1.01 -1.26 -3.14 116.67 118.73 1ccq s ASP 57 Ca 0.11 2.14 -0.08 0.00 0.71 0.00 0.00 52.55 55.44 1ccq s ASP 57 Cb -0.03 -2.58 0.08 0.00 1.01 0.00 0.00 42.92 41.40 1ccq s ASP 57 CO 0.03 -1.17 0.21 1.17 0.21 0.00 0.00 175.17 175.62 1ccq n LYS 58 N -1.27 -0.90 -0.14 8.23 4.81 -0.87 -4.80 118.16 123.22 1ccq n LYS 58 Ca 0.11 0.11 -0.28 0.00 -0.87 0.00 0.00 58.31 57.38 1ccq n LYS 58 Cb 0.51 -3.97 -0.10 0.00 0.02 0.00 0.00 35.03 31.49 1ccq n LYS 58 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57