#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 0.79 0.10 1.47 0.00 -1.26 -2.09 119.74 118.74 1ccq s LYS 2 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 55.97 55.89 1ccq s LYS 2 Cb 0.00 -0.83 -0.04 0.00 0.00 0.00 0.00 37.83 36.96 1ccq s LYS 2 CO 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 175.35 175.24 1ccq s LYS 4 N -3.93 2.99 0.00 0.00 1.02 -1.26 -2.35 119.74 116.20 1ccq s LYS 4 Ca 0.15 -1.12 0.00 0.00 0.02 0.00 0.00 55.97 55.03 1ccq s LYS 4 Cb 0.07 -2.78 0.00 0.00 -0.52 0.00 0.00 37.83 34.60 1ccq s LYS 4 CO -0.03 -0.07 0.00 1.63 -0.92 0.00 0.00 175.35 175.96 1ccq n LYS 5 N -1.71 0.00 -4.46 1.68 5.02 -0.74 -4.31 118.16 113.64 1ccq n LYS 5 Ca 0.03 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.09 1ccq n LYS 5 Cb 0.59 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.51 1ccq n LYS 5 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ccq s LEU 6 N 0.00 1.96 0.84 -0.35 1.02 -1.26 -4.49 118.68 116.40 1ccq s LEU 6 Ca 0.00 -1.58 -0.13 0.00 0.02 0.00 0.00 54.13 52.44 1ccq s LEU 6 Cb 0.00 -0.10 0.09 0.00 0.02 0.00 0.00 46.19 46.19 1ccq s LEU 6 CO 0.00 -0.85 1.12 0.52 0.02 0.00 0.00 176.35 177.16 1ccq n VAL 7 N -0.79 1.50 0.08 -1.59 0.31 -1.26 -3.60 118.33 112.98 1ccq n VAL 7 Ca -0.04 -0.17 -0.07 0.00 -0.01 0.00 0.00 64.34 64.06 1ccq n VAL 7 Cb 0.65 -1.11 -0.04 0.00 -0.91 0.00 0.00 33.84 32.44 1ccq n VAL 7 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1ccq h PRO 8 N -1.12 -0.28 -2.04 5.55 0.13 -2.08 -3.45 132.00 128.71 1ccq h PRO 8 Ca -0.45 0.02 -0.24 0.00 -0.87 0.00 0.00 66.00 64.46 1ccq h PRO 8 Cb 1.29 0.06 -0.32 0.00 0.13 0.00 0.00 31.00 32.17 1ccq h PRO 8 CO 0.44 -0.07 -0.56 -1.17 -0.23 0.00 0.00 178.00 176.41 1ccq s LEU 9 N -8.88 -0.46 -0.40 1.56 1.98 -1.25 -5.09 118.68 106.13 1ccq s LEU 9 Ca -0.07 -0.27 0.01 0.00 -2.89 0.00 0.00 54.13 50.91 1ccq s LEU 9 Cb 0.00 0.81 0.13 0.00 0.66 0.00 0.00 46.19 47.79 1ccq s LEU 9 CO 0.23 -0.34 0.21 0.12 -1.89 0.00 0.00 176.35 174.68 1ccq s PHE 10 N 2.45 1.73 0.04 5.38 2.19 -1.24 -5.07 117.98 123.47 1ccq s PHE 10 Ca 0.10 -2.18 -0.17 0.00 0.33 0.00 0.00 56.93 55.01 1ccq s PHE 10 Cb -0.14 -1.70 -0.06 0.00 -1.31 0.00 0.00 43.02 39.80 1ccq s PHE 10 CO -0.23 -0.81 0.50 -1.54 1.83 0.00 0.00 175.22 174.97 1ccq s SER 11 N 0.68 6.95 0.04 6.13 1.04 -1.26 -1.79 113.70 125.48 1ccq s SER 11 Ca 0.16 1.13 -0.17 0.00 0.48 0.00 0.00 55.95 57.55 1ccq s SER 11 Cb -0.23 -2.31 0.03 0.00 0.10 0.00 0.00 66.02 63.61 1ccq s SER 11 CO -0.03 0.30 0.39 -1.59 0.98 0.00 0.00 173.24 173.28 1ccq s LYS 12 N -1.09 0.88 -0.08 4.02 -2.85 -0.99 -5.02 119.74 114.62 1ccq s LYS 12 Ca 0.27 -0.36 -0.19 0.00 -1.00 0.00 0.00 55.97 54.69 1ccq s LYS 12 Cb -0.18 0.39 -0.05 0.00 -2.06 0.00 0.00 37.83 35.93 1ccq s LYS 12 CO 0.16 -0.30 0.51 0.99 0.10 0.00 0.00 175.35 176.82 1ccq s THR 13 N -2.37 5.10 -0.03 3.79 2.01 -1.26 -2.45 115.64 120.42 1ccq s THR 13 Ca -0.06 1.04 -0.31 0.00 0.31 0.00 0.00 61.69 62.67 1ccq s THR 13 Cb -0.01 -3.85 -0.10 0.00 0.01 0.00 0.00 72.50 68.55 1ccq s THR 13 CO -0.02 0.37 1.97 0.00 -0.69 0.00 0.00 174.62 176.25 1ccq s PRO 15 N 4.50 3.05 0.01 0.00 0.04 -1.26 -4.84 135.00 136.50 1ccq s PRO 15 Ca 0.92 1.00 -0.39 0.00 0.04 0.00 0.00 61.00 62.57 1ccq s PRO 15 Cb -0.53 -2.00 -0.20 0.00 0.04 0.00 0.00 34.50 31.81 1ccq s PRO 15 CO 0.45 -1.01 1.04 0.00 0.04 0.00 0.00 177.00 177.52 1ccq n ALA 16 N -2.86 -3.60 0.00 8.56 0.00 -1.26 -1.52 120.51 119.82 1ccq n ALA 16 Ca 0.08 0.59 0.00 0.00 0.00 0.00 0.00 53.44 54.11 1ccq n ALA 16 Cb 0.53 -1.74 0.00 0.00 0.00 0.00 0.00 19.45 18.25 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 1.50 3.19 3.53 0.00 0.00 -1.26 -5.05 105.19 107.10 1ccq n GLY 17 Ca 0.20 -1.05 -0.34 0.00 0.00 0.00 0.00 46.02 44.83 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 3.17 -0.00 1.61 3.01 -0.58 -4.02 119.74 122.93 1ccq s LYS 18 Ca 0.00 -0.54 0.00 0.00 -1.01 0.00 0.00 55.97 54.42 1ccq s LYS 18 Cb 0.00 -2.73 0.01 0.00 -1.01 0.00 0.00 37.83 34.10 1ccq s LYS 18 CO 0.00 0.46 0.67 0.09 0.51 0.00 0.00 175.35 177.09 1ccq n ASN 19 N 2.84 0.19 -4.22 2.83 3.02 -0.71 -4.34 115.26 114.86 1ccq n ASN 19 Ca -0.18 -1.37 -0.13 0.00 -0.03 0.00 0.00 54.58 52.87 1ccq n ASN 19 Cb 0.53 -0.06 -0.10 0.00 -0.61 0.00 0.00 39.78 39.54 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 -0.14 2.51 -0.23 3.41 1.43 -0.90 -4.93 118.68 119.83 1ccq s LEU 20 Ca 0.01 -0.99 -0.06 0.00 -1.03 0.00 0.00 54.13 52.06 1ccq s LEU 20 Cb 0.01 -0.28 -0.02 0.00 0.03 0.00 0.00 46.19 45.92 1ccq s LEU 20 CO 0.00 -0.36 0.03 0.00 0.23 0.00 0.00 176.35 176.26 1ccq s TYR 22 N 1.47 3.31 -0.17 0.00 -0.85 -0.58 -2.34 117.35 118.19 1ccq s TYR 22 Ca 0.05 0.29 -0.05 0.00 -0.52 0.00 0.00 57.07 56.85 1ccq s TYR 22 Cb -0.15 -1.82 0.06 0.00 0.38 0.00 0.00 41.96 40.43 1ccq s TYR 22 CO 0.02 0.56 0.09 0.21 -1.52 0.00 0.00 175.55 174.91 1ccq s LYS 23 N -1.08 0.07 -0.13 -3.49 2.36 -0.93 -2.27 119.74 114.26 1ccq s LYS 23 Ca 0.15 -0.09 -0.08 0.00 -2.55 0.00 0.00 55.97 53.41 1ccq s LYS 23 Cb -0.12 -1.80 -0.04 0.00 -1.05 0.00 0.00 37.83 34.82 1ccq s LYS 23 CO 0.05 -0.68 0.14 1.41 1.55 0.00 0.00 175.35 177.82 1ccq s MET 24 N 2.14 3.58 0.22 4.03 -2.45 -0.50 -2.40 119.30 123.92 1ccq s MET 24 Ca 0.02 -0.14 -0.11 0.00 -1.25 0.00 0.00 55.69 54.21 1ccq s MET 24 Cb -0.16 -3.23 -0.01 0.00 1.25 0.00 0.00 34.83 32.68 1ccq s MET 24 CO -0.10 0.69 0.41 -0.59 1.05 0.00 0.00 175.02 176.48 1ccq s PHE 25 N -0.78 0.42 -0.17 4.11 -0.71 -0.94 -1.69 117.98 118.22 1ccq s PHE 25 Ca 0.14 -0.77 -0.18 0.00 -1.04 0.00 0.00 56.93 55.08 1ccq s PHE 25 Cb -0.12 0.08 -0.04 0.00 -1.21 0.00 0.00 43.02 41.73 1ccq s PHE 25 CO 0.03 -0.90 0.50 -1.64 -1.34 0.00 0.00 175.22 171.87 1ccq s MET 26 N -4.01 4.25 -1.08 1.99 -1.94 -1.26 -1.75 119.30 115.49 1ccq s MET 26 Ca 0.22 0.42 -0.23 0.00 -1.71 0.00 0.00 55.69 54.39 1ccq s MET 26 Cb 0.01 -3.51 -0.12 0.00 2.01 0.00 0.00 34.83 33.22 1ccq s MET 26 CO 0.07 -0.03 1.94 0.28 -0.01 0.00 0.00 175.02 177.26 1ccq n VAL 27 N 4.21 1.74 0.00 -6.03 0.31 -1.08 -2.30 118.33 115.17 1ccq n VAL 27 Ca -0.06 -1.76 0.00 0.00 -0.01 0.00 0.00 64.34 62.52 1ccq n VAL 27 Cb 0.51 -2.18 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 13.48 0.00 -3.87 3.52 0.00 -1.26 -5.03 120.51 127.34 1ccq n ALA 28 Ca 0.45 0.00 -0.28 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 19.79 1ccq n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ccq n ALA 29 N -0.63 3.47 -0.95 0.00 0.00 -0.97 -4.97 120.51 116.44 1ccq n ALA 29 Ca 0.00 -4.55 -0.27 0.00 0.00 0.00 0.00 53.44 48.62 1ccq n ALA 29 Cb 0.00 -1.04 -0.04 0.00 0.00 0.00 0.00 19.45 18.37 1ccq n ALA 29 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1ccq n PRO 30 N 1.90 2.62 0.00 0.00 -0.04 -1.26 -2.96 135.00 135.25 1ccq n PRO 30 Ca 0.20 -1.64 0.00 0.00 -0.04 0.00 0.00 63.50 62.02 1ccq n PRO 30 Cb 0.35 -2.51 0.00 0.00 -0.04 0.00 0.00 33.50 31.31 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 3.77 -1.15 -3.57 0.54 -0.00 -1.26 -5.08 115.22 108.47 1ccq n HIS 31 Ca 0.56 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.89 1ccq n HIS 31 Cb 0.24 0.36 -0.11 0.00 -0.00 0.00 0.00 29.99 30.48 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 5.28 1.04 3.57 1.01 -1.16 -5.08 120.40 123.34 1ccq s VAL 32 Ca 0.00 0.01 -0.16 0.00 0.00 0.00 0.00 61.98 61.82 1ccq s VAL 32 Cb 0.00 -3.60 0.22 0.00 0.00 0.00 0.00 36.38 33.01 1ccq s VAL 32 CO 0.00 0.15 1.20 -2.16 0.00 0.00 0.00 175.10 174.29 1ccq s PRO 33 N 1.74 0.02 0.03 2.72 0.04 -1.26 -4.67 135.00 133.62 1ccq s PRO 33 Ca 0.07 -0.13 -0.03 0.00 0.04 0.00 0.00 61.00 60.94 1ccq s PRO 33 Cb -0.17 -1.75 -0.01 0.00 0.04 0.00 0.00 34.50 32.62 1ccq s PRO 33 CO 0.11 -2.87 -0.06 0.28 0.04 0.00 0.00 177.00 174.49 1ccq n VAL 34 N -4.15 1.05 -3.93 -0.36 0.31 -0.68 -4.96 118.33 105.60 1ccq n VAL 34 Ca 0.13 0.30 -0.10 0.00 -0.01 0.00 0.00 64.34 64.66 1ccq n VAL 34 Cb 0.59 -1.63 -0.11 0.00 -0.91 0.00 0.00 33.84 31.78 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 -1.97 0.29 -0.12 5.55 1.02 -1.01 -5.03 119.74 118.47 1ccq s LYS 35 Ca -0.05 -0.42 -0.05 0.00 0.02 0.00 0.00 55.97 55.46 1ccq s LYS 35 Cb 0.01 0.11 0.05 0.00 -0.52 0.00 0.00 37.83 37.48 1ccq s LYS 35 CO 0.08 -0.05 0.27 1.03 -0.92 0.00 0.00 175.35 175.75 1ccq s ARG 36 N -1.12 0.21 0.00 1.68 0.52 -1.26 -1.41 118.95 117.57 1ccq s ARG 36 Ca -0.12 0.61 0.00 0.00 -0.52 0.00 0.00 55.73 55.70 1ccq s ARG 36 Cb -0.07 -0.09 0.00 0.00 0.52 0.00 0.00 34.95 35.31 1ccq s ARG 36 CO -0.00 -0.19 0.00 0.41 0.02 0.00 0.00 175.30 175.53 1ccq n GLY 37 N 4.51 2.67 3.98 -3.53 0.00 -0.96 -4.49 105.19 107.38 1ccq n GLY 37 Ca -0.20 -0.68 -0.20 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.16 0.01 -0.19 0.00 2.07 -0.66 -4.73 121.20 115.54 1ccq s ILE 39 Ca 0.43 -0.09 -0.15 0.00 -1.41 0.00 0.00 60.65 59.42 1ccq s ILE 39 Cb -0.09 -1.04 -0.08 0.00 0.13 0.00 0.00 42.46 41.38 1ccq s ILE 39 CO 0.31 -0.04 -0.25 -0.67 -1.91 0.00 0.00 174.94 172.38 1ccq n ASP 40 N -0.36 1.90 -4.41 4.50 2.03 -1.26 -1.74 116.55 117.21 1ccq n ASP 40 Ca -0.17 0.42 -0.32 0.00 0.52 0.00 0.00 54.79 55.24 1ccq n ASP 40 Cb 0.65 -0.81 -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 -2.60 2.82 -0.27 5.18 0.11 -1.26 -4.66 120.40 119.72 1ccq s VAL 41 Ca -0.27 -0.80 -0.29 0.00 -2.93 0.00 0.00 61.98 57.69 1ccq s VAL 41 Cb 0.06 -2.10 0.01 0.00 -1.53 0.00 0.00 36.38 32.82 1ccq s VAL 41 CO 0.40 0.58 1.09 0.00 -3.33 0.00 0.00 175.10 173.84 1ccq s PRO 43 N 3.50 1.34 0.44 0.00 0.04 -1.26 -5.03 135.00 134.04 1ccq s PRO 43 Ca 0.46 0.36 -0.21 0.00 0.04 0.00 0.00 61.00 61.66 1ccq s PRO 43 Cb -0.14 -1.86 -0.10 0.00 0.04 0.00 0.00 34.50 32.44 1ccq s PRO 43 CO 0.12 -2.07 0.97 0.21 0.04 0.00 0.00 177.00 176.27 1ccq s LYS 44 N -5.26 4.13 0.48 4.56 2.47 -1.26 -4.92 119.74 119.95 1ccq s LYS 44 Ca 0.63 1.18 -0.03 0.00 -1.56 0.00 0.00 55.97 56.19 1ccq s LYS 44 Cb -0.15 -2.16 -0.02 0.00 -1.46 0.00 0.00 37.83 34.04 1ccq s LYS 44 CO 0.53 -0.13 0.75 -1.12 0.16 0.00 0.00 175.35 175.55 1ccq s SER 45 N -2.12 6.00 0.36 1.43 0.01 -1.26 -4.80 113.70 113.32 1ccq s SER 45 Ca 0.63 0.66 0.01 0.00 1.31 0.00 0.00 55.95 58.57 1ccq s SER 45 Cb -0.11 -1.92 -0.01 0.00 0.21 0.00 0.00 66.02 64.20 1ccq s SER 45 CO 0.15 -0.69 0.05 -1.54 0.41 0.00 0.00 173.24 171.62 1ccq n SER 46 N -2.23 2.24 0.16 2.44 3.41 -0.91 -5.02 113.62 113.71 1ccq n SER 46 Ca 0.01 -2.72 0.10 0.00 -0.26 0.00 0.00 58.87 56.00 1ccq n SER 46 Cb 0.56 0.52 0.08 0.00 -0.26 0.00 0.00 64.21 65.11 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 -2.03 -3.39 115.31 114.32 1ccq h LEU 47 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1ccq h LEU 47 Cb 0.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1ccq h LEU 47 CO 0.48 0.08 -0.25 -0.11 0.09 0.00 0.00 178.44 178.73 1ccq n LEU 48 N -2.93 0.83 -4.95 1.67 0.00 -1.26 -4.83 117.00 105.52 1ccq n LEU 48 Ca 0.01 0.40 -0.23 0.00 0.00 0.00 0.00 56.01 56.20 1ccq n LEU 48 Cb 0.57 -0.66 -0.01 0.00 0.00 0.00 0.00 43.42 43.32 1ccq n LEU 48 CO 0.37 -0.48 0.14 -0.69 0.00 0.00 0.00 177.39 176.73 1ccq s VAL 49 N -1.59 4.88 -0.12 1.96 1.01 -1.26 -2.64 120.40 122.63 1ccq s VAL 49 Ca -0.07 -0.61 -0.02 0.00 0.00 0.00 0.00 61.98 61.27 1ccq s VAL 49 Cb 0.01 -3.77 0.04 0.00 0.00 0.00 0.00 36.38 32.67 1ccq s VAL 49 CO 0.11 -0.45 0.02 -0.75 0.00 0.00 0.00 175.10 174.03 1ccq s LYS 50 N -4.28 0.56 -0.60 2.72 2.20 -0.72 -2.14 119.74 117.48 1ccq s LYS 50 Ca 0.41 -0.09 -0.08 0.00 -0.36 0.00 0.00 55.97 55.84 1ccq s LYS 50 Cb -0.10 -1.45 0.16 0.00 -1.51 0.00 0.00 37.83 34.93 1ccq s LYS 50 CO 0.35 -0.46 0.47 0.71 -0.36 0.00 0.00 175.35 176.06 1ccq s TYR 51 N 1.95 3.50 -0.21 4.03 1.51 -1.26 -2.22 117.35 124.65 1ccq s TYR 51 Ca 0.03 -2.16 -0.13 0.00 -1.01 0.00 0.00 57.07 53.80 1ccq s TYR 51 Cb -0.14 -3.49 -0.05 0.00 -0.11 0.00 0.00 41.96 38.18 1ccq s TYR 51 CO -0.06 -0.95 0.26 0.08 -1.11 0.00 0.00 175.55 173.77 1ccq s VAL 52 N 0.65 5.30 0.27 0.71 1.01 -1.01 -4.74 120.40 122.59 1ccq s VAL 52 Ca 0.12 0.43 0.09 0.00 0.00 0.00 0.00 61.98 62.62 1ccq s VAL 52 Cb -0.21 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 1ccq s VAL 52 CO -0.03 0.32 0.05 0.00 0.00 0.00 0.00 175.10 175.44 1ccq n ASN 55 N 1.71 6.95 -4.04 0.00 6.94 -1.26 -2.65 115.26 122.92 1ccq n ASN 55 Ca -0.19 -3.81 -0.09 0.00 -0.02 0.00 0.00 54.58 50.47 1ccq n ASN 55 Cb 0.56 -0.91 -0.11 0.00 -2.36 0.00 0.00 39.78 36.96 1ccq n ASN 55 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1ccq s THR 56 N -5.10 0.27 0.60 5.53 -4.23 -1.26 -5.07 115.64 106.37 1ccq s THR 56 Ca 0.53 -1.28 -0.17 0.00 -1.18 0.00 0.00 61.69 59.60 1ccq s THR 56 Cb 0.44 -0.79 -0.03 0.00 1.34 0.00 0.00 72.50 73.46 1ccq s THR 56 CO -0.29 -0.65 1.09 -1.81 -0.54 0.00 0.00 174.62 172.42 1ccq s ASP 57 N -2.03 5.56 -1.47 3.99 1.01 -1.26 -3.29 116.67 119.19 1ccq s ASP 57 Ca -0.06 1.98 -0.06 0.00 0.71 0.00 0.00 52.55 55.12 1ccq s ASP 57 Cb -0.04 -2.55 0.06 0.00 1.01 0.00 0.00 42.92 41.40 1ccq s ASP 57 CO -0.04 -1.32 0.15 2.29 0.21 0.00 0.00 175.17 176.46 1ccq n LYS 58 N -1.91 -0.89 -0.14 8.23 2.85 -1.04 -4.78 118.16 120.48 1ccq n LYS 58 Ca 0.10 0.09 -0.28 0.00 -1.05 0.00 0.00 58.31 57.17 1ccq n LYS 58 Cb 0.52 -3.48 -0.10 0.00 -0.65 0.00 0.00 35.03 31.32 1ccq n LYS 58 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35