#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 3.54 0.05 3.23 -2.85 -1.26 -1.91 119.74 120.53 1ccq s LYS 2 Ca 0.00 -0.58 0.08 0.00 -1.00 0.00 0.00 55.97 54.47 1ccq s LYS 2 Cb 0.00 -2.91 -0.03 0.00 -2.06 0.00 0.00 37.83 32.83 1ccq s LYS 2 CO 0.00 0.09 -0.20 0.00 0.10 0.00 0.00 175.35 175.35 1ccq s LYS 4 N -1.47 3.55 0.31 0.00 1.02 -1.26 -2.14 119.74 119.74 1ccq s LYS 4 Ca 0.14 -0.16 0.04 0.00 0.02 0.00 0.00 55.97 56.01 1ccq s LYS 4 Cb -0.10 -3.05 0.04 0.00 -0.52 0.00 0.00 37.83 34.19 1ccq s LYS 4 CO 0.05 0.63 0.30 1.63 -0.92 0.00 0.00 175.35 177.04 1ccq n LYS 5 N 0.88 0.95 -3.76 1.68 5.02 -1.02 -4.38 118.16 117.53 1ccq n LYS 5 Ca -0.09 -1.87 -0.37 0.00 -2.02 0.00 0.00 58.31 53.96 1ccq n LYS 5 Cb 0.52 0.09 -0.06 0.00 -0.02 0.00 0.00 35.03 35.57 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 4.41 0.82 -0.35 1.02 -1.26 -4.77 118.68 118.56 1ccq s LEU 6 Ca 0.23 0.62 -0.16 0.00 0.02 0.00 0.00 54.13 54.85 1ccq s LEU 6 Cb -0.02 -2.29 -0.05 0.00 0.02 0.00 0.00 46.19 43.85 1ccq s LEU 6 CO 0.15 0.37 0.14 0.52 0.02 0.00 0.00 176.35 177.54 1ccq n VAL 7 N 1.83 0.71 1.35 -1.59 0.31 -1.26 -1.50 118.33 118.18 1ccq n VAL 7 Ca -0.17 -0.37 0.12 0.00 -0.01 0.00 0.00 64.34 63.90 1ccq n VAL 7 Cb 0.54 -0.47 0.66 0.00 -0.91 0.00 0.00 33.84 33.67 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 -0.06 0.60 -1.78 5.55 -0.04 -1.26 -5.03 135.00 132.98 1ccq n PRO 8 Ca 0.06 0.03 -0.41 0.00 -0.04 0.00 0.00 63.50 63.14 1ccq n PRO 8 Cb 0.52 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.47 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 -2.20 4.32 0.00 1.53 1.98 -0.56 -5.01 118.68 118.74 1ccq s LEU 9 Ca 0.31 3.04 0.00 0.00 -2.89 0.00 0.00 54.13 54.59 1ccq s LEU 9 Cb 0.16 -3.66 0.00 0.00 0.66 0.00 0.00 46.19 43.35 1ccq s LEU 9 CO 0.30 -0.90 0.00 0.33 -1.89 0.00 0.00 176.35 174.19 1ccq n PHE 10 N 0.87 0.00 -3.25 5.38 7.35 -1.26 -4.16 117.46 122.40 1ccq n PHE 10 Ca 0.03 0.00 -0.33 0.00 -0.76 0.00 0.00 57.45 56.38 1ccq n PHE 10 Cb 0.39 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 40.16 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 6.79 -0.09 -2.13 1.04 -1.26 -2.43 113.70 114.61 1ccq s SER 11 Ca 0.00 1.17 -0.19 0.00 0.48 0.00 0.00 55.95 57.41 1ccq s SER 11 Cb 0.00 -2.32 0.04 0.00 0.10 0.00 0.00 66.02 63.84 1ccq s SER 11 CO 0.00 -0.08 0.46 -0.75 0.98 0.00 0.00 173.24 173.86 1ccq s LYS 12 N -2.60 0.71 -0.14 4.02 2.20 -0.91 -4.96 119.74 118.06 1ccq s LYS 12 Ca 0.48 0.27 -0.28 0.00 -0.36 0.00 0.00 55.97 56.08 1ccq s LYS 12 Cb -0.12 0.33 -0.01 0.00 -1.51 0.00 0.00 37.83 36.52 1ccq s LYS 12 CO 0.19 -0.17 0.95 0.99 -0.36 0.00 0.00 175.35 176.96 1ccq s THR 13 N -0.62 4.81 -0.30 3.43 2.01 -1.26 -1.88 115.64 121.82 1ccq s THR 13 Ca -0.07 1.90 -0.40 0.00 0.31 0.00 0.00 61.69 63.43 1ccq s THR 13 Cb -0.03 -4.25 -0.15 0.00 0.01 0.00 0.00 72.50 68.07 1ccq s THR 13 CO 0.04 -0.01 1.83 0.00 -0.69 0.00 0.00 174.62 175.80 1ccq s PRO 15 N 4.08 2.77 0.03 0.00 0.04 -1.26 -4.83 135.00 135.82 1ccq s PRO 15 Ca 1.01 0.89 -0.38 0.00 0.04 0.00 0.00 61.00 62.56 1ccq s PRO 15 Cb -1.05 -1.98 -0.20 0.00 0.04 0.00 0.00 34.50 31.32 1ccq s PRO 15 CO 0.63 -1.20 0.99 0.00 0.04 0.00 0.00 177.00 177.46 1ccq n ALA 16 N -3.19 -3.53 0.00 8.56 0.00 -1.26 -1.75 120.51 119.33 1ccq n ALA 16 Ca 0.07 0.58 0.00 0.00 0.00 0.00 0.00 53.44 54.09 1ccq n ALA 16 Cb 0.54 -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 1.58 3.21 3.54 0.00 0.00 -1.26 -5.05 105.19 107.21 1ccq n GLY 17 Ca 0.20 -1.05 -0.33 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 2.68 0.00 1.61 3.01 -0.72 -4.15 119.74 122.17 1ccq s LYS 18 Ca 0.00 -0.60 0.00 0.00 -1.01 0.00 0.00 55.97 54.36 1ccq s LYS 18 Cb 0.00 -2.52 0.00 0.00 -1.01 0.00 0.00 37.83 34.30 1ccq s LYS 18 CO 0.00 0.64 0.71 0.09 0.51 0.00 0.00 175.35 177.30 1ccq n ASN 19 N 2.27 0.00 -4.14 2.83 3.02 -0.94 -4.42 115.26 113.88 1ccq n ASN 19 Ca -0.18 -1.42 -0.10 0.00 -0.03 0.00 0.00 54.58 52.85 1ccq n ASN 19 Cb 0.53 -0.08 -0.10 0.00 -0.61 0.00 0.00 39.78 39.51 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 0.00 2.47 -0.18 3.41 1.43 -0.92 -4.93 118.68 119.96 1ccq s LEU 20 Ca 0.00 -0.95 -0.04 0.00 -1.03 0.00 0.00 54.13 52.12 1ccq s LEU 20 Cb 0.00 -0.04 -0.02 0.00 0.03 0.00 0.00 46.19 46.16 1ccq s LEU 20 CO 0.00 -0.45 -0.04 0.00 0.23 0.00 0.00 176.35 176.09 1ccq s TYR 22 N 0.81 3.16 -0.17 0.00 -0.85 -0.63 -2.34 117.35 117.33 1ccq s TYR 22 Ca -0.01 0.18 -0.05 0.00 -0.52 0.00 0.00 57.07 56.67 1ccq s TYR 22 Cb -0.15 -1.76 0.07 0.00 0.38 0.00 0.00 41.96 40.50 1ccq s TYR 22 CO 0.02 0.48 0.11 0.21 -1.52 0.00 0.00 175.55 174.85 1ccq s LYS 23 N -1.11 0.08 -0.16 -3.49 2.20 -0.95 -2.29 119.74 114.02 1ccq s LYS 23 Ca 0.16 -0.02 -0.09 0.00 -0.36 0.00 0.00 55.97 55.66 1ccq s LYS 23 Cb -0.11 -1.69 -0.04 0.00 -1.51 0.00 0.00 37.83 34.47 1ccq s LYS 23 CO 0.05 -0.66 0.14 1.41 -0.36 0.00 0.00 175.35 175.93 1ccq s MET 24 N 2.17 3.81 0.25 4.03 -2.45 -0.58 -2.28 119.30 124.24 1ccq s MET 24 Ca 0.03 -0.17 0.02 0.00 -1.25 0.00 0.00 55.69 54.32 1ccq s MET 24 Cb -0.16 -3.30 -0.04 0.00 1.25 0.00 0.00 34.83 32.58 1ccq s MET 24 CO -0.09 0.55 0.19 -0.59 1.05 0.00 0.00 175.02 176.12 1ccq s PHE 25 N -0.36 1.39 -0.06 4.11 -0.71 -0.93 -1.78 117.98 119.64 1ccq s PHE 25 Ca 0.12 -1.49 -0.18 0.00 -1.04 0.00 0.00 56.93 54.34 1ccq s PHE 25 Cb -0.12 -0.62 -0.05 0.00 -1.21 0.00 0.00 43.02 41.03 1ccq s PHE 25 CO 0.01 -0.73 0.48 -1.64 -1.34 0.00 0.00 175.22 172.00 1ccq s MET 26 N -3.88 4.23 -0.88 1.99 -1.94 -1.26 -1.87 119.30 115.69 1ccq s MET 26 Ca 0.40 0.49 -0.24 0.00 -1.71 0.00 0.00 55.69 54.63 1ccq s MET 26 Cb 0.05 -3.36 -0.17 0.00 2.01 0.00 0.00 34.83 33.37 1ccq s MET 26 CO 0.18 0.34 1.91 0.28 -0.01 0.00 0.00 175.02 177.72 1ccq n VAL 27 N 2.98 1.47 0.00 -6.03 0.31 -1.00 -2.24 118.33 113.82 1ccq n VAL 27 Ca -0.09 -1.41 0.00 0.00 -0.01 0.00 0.00 64.34 62.83 1ccq n VAL 27 Cb 0.52 -2.19 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 11.65 0.00 -3.78 3.52 0.00 -1.26 -5.03 120.51 125.60 1ccq n ALA 28 Ca 0.47 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.63 1ccq n ALA 28 Cb 0.44 0.00 -0.11 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 n ALA 29 N -1.00 3.51 -0.89 0.00 0.00 -0.95 -4.97 120.51 116.21 1ccq n ALA 29 Ca 0.00 -4.50 -0.21 0.00 0.00 0.00 0.00 53.44 48.73 1ccq n ALA 29 Cb 0.00 -0.99 -0.07 0.00 0.00 0.00 0.00 19.45 18.39 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 1.78 2.24 0.00 0.00 -0.04 -1.26 -2.97 135.00 134.75 1ccq n PRO 30 Ca 0.22 -1.34 0.00 0.00 -0.04 0.00 0.00 63.50 62.34 1ccq n PRO 30 Cb 0.37 -2.29 0.00 0.00 -0.04 0.00 0.00 33.50 31.54 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 3.37 -0.90 -3.57 0.54 -0.00 -1.26 -5.07 115.22 108.33 1ccq n HIS 31 Ca 0.48 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.81 1ccq n HIS 31 Cb 0.40 0.40 -0.11 0.00 -0.00 0.00 0.00 29.99 30.67 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 -1.79 5.28 1.09 3.57 1.01 -1.16 -5.08 120.40 123.32 1ccq s VAL 32 Ca 0.00 0.03 -0.18 0.00 0.00 0.00 0.00 61.98 61.82 1ccq s VAL 32 Cb 0.00 -3.58 0.26 0.00 0.00 0.00 0.00 36.38 33.06 1ccq s VAL 32 CO 0.00 0.16 1.20 -0.81 0.00 0.00 0.00 175.10 175.65 1ccq n PRO 33 N 5.07 -2.19 0.08 2.72 -0.04 -1.26 -4.70 135.00 134.69 1ccq n PRO 33 Ca -0.14 -1.88 0.00 0.00 -0.04 0.00 0.00 63.50 61.45 1ccq n PRO 33 Cb 0.51 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 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 -4.31 0.77 -5.24 0.52 0.31 -0.73 -4.98 118.33 104.66 1ccq n VAL 34 Ca 0.16 0.25 -0.30 0.00 -0.01 0.00 0.00 64.34 64.44 1ccq n VAL 34 Cb 0.57 -1.19 -0.16 0.00 -0.91 0.00 0.00 33.84 32.16 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 -1.92 2.01 -0.08 5.55 1.02 -1.01 -5.02 119.74 120.29 1ccq s LYS 35 Ca 0.00 -0.89 -0.03 0.00 0.02 0.00 0.00 55.97 55.07 1ccq s LYS 35 Cb 0.00 -1.95 0.05 0.00 -0.52 0.00 0.00 37.83 35.41 1ccq s LYS 35 CO 0.00 0.53 0.17 1.03 -0.92 0.00 0.00 175.35 176.16 1ccq s ARG 36 N -0.58 0.07 0.00 1.68 0.52 -1.26 -1.53 118.95 117.85 1ccq s ARG 36 Ca 0.10 0.50 0.00 0.00 -0.52 0.00 0.00 55.73 55.81 1ccq s ARG 36 Cb -0.10 -0.21 0.00 0.00 0.52 0.00 0.00 34.95 35.17 1ccq s ARG 36 CO -0.01 -0.24 0.00 0.41 0.02 0.00 0.00 175.30 175.48 1ccq n GLY 37 N 4.84 2.87 3.98 -3.53 0.00 -0.97 -4.12 105.19 108.26 1ccq n GLY 37 Ca -0.14 -0.89 -0.20 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.33 0.00 -0.23 0.00 2.07 -0.70 -4.72 121.20 115.30 1ccq s ILE 39 Ca 0.47 0.00 -0.16 0.00 -1.41 0.00 0.00 60.65 59.55 1ccq s ILE 39 Cb -0.10 -1.00 -0.09 0.00 0.13 0.00 0.00 42.46 41.40 1ccq s ILE 39 CO 0.34 0.00 -0.35 -0.67 -1.91 0.00 0.00 174.94 172.34 1ccq n ASP 40 N 0.24 1.95 -4.42 4.50 2.03 -1.26 -2.16 116.55 117.43 1ccq n ASP 40 Ca -0.14 0.34 -0.35 0.00 0.52 0.00 0.00 54.79 55.16 1ccq n ASP 40 Cb 0.61 -0.78 -0.13 0.00 -0.72 0.00 0.00 41.12 40.10 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 -2.71 3.77 -0.24 5.18 0.11 -1.26 -4.70 120.40 120.55 1ccq s VAL 41 Ca -0.34 -0.38 -0.29 0.00 -2.93 0.00 0.00 61.98 58.04 1ccq s VAL 41 Cb 0.09 -2.69 -0.02 0.00 -1.53 0.00 0.00 36.38 32.24 1ccq s VAL 41 CO 0.46 0.44 1.49 0.00 -3.33 0.00 0.00 175.10 174.16 1ccq s PRO 43 N 4.41 0.48 0.84 0.00 0.04 -1.26 -5.06 135.00 134.45 1ccq s PRO 43 Ca 0.65 0.04 -0.12 0.00 0.04 0.00 0.00 61.00 61.61 1ccq s PRO 43 Cb -0.22 -1.79 0.11 0.00 0.04 0.00 0.00 34.50 32.65 1ccq s PRO 43 CO 0.26 -2.60 1.19 0.21 0.04 0.00 0.00 177.00 176.11 1ccq s LYS 44 N -5.46 1.61 0.30 4.56 2.20 -1.26 -4.92 119.74 116.77 1ccq s LYS 44 Ca 0.68 -0.12 0.08 0.00 -0.36 0.00 0.00 55.97 56.25 1ccq s LYS 44 Cb -0.11 -1.96 -0.04 0.00 -1.51 0.00 0.00 37.83 34.21 1ccq s LYS 44 CO 0.54 -1.78 0.14 -1.12 -0.36 0.00 0.00 175.35 172.77 1ccq s SER 45 N -4.66 4.91 0.34 1.43 0.01 -1.26 -4.59 113.70 109.88 1ccq s SER 45 Ca 0.65 -0.59 0.02 0.00 1.31 0.00 0.00 55.95 57.34 1ccq s SER 45 Cb -0.09 -0.94 -0.01 0.00 0.21 0.00 0.00 66.02 65.20 1ccq s SER 45 CO 0.49 -0.17 0.06 -1.54 0.41 0.00 0.00 173.24 172.49 1ccq n SER 46 N -1.12 2.07 0.12 2.44 3.41 -0.55 -5.01 113.62 114.98 1ccq n SER 46 Ca -0.05 -2.64 0.12 0.00 -0.26 0.00 0.00 58.87 56.04 1ccq n SER 46 Cb 0.60 0.53 0.17 0.00 -0.26 0.00 0.00 64.21 65.24 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 -0.27 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1ccq h LEU 47 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1ccq h LEU 47 CO 0.45 0.03 -0.15 -0.11 0.09 0.00 0.00 178.44 178.75 1ccq n LEU 48 N -2.55 0.46 -4.77 1.67 -0.00 -1.26 -4.76 117.00 105.79 1ccq n LEU 48 Ca 0.03 0.31 -0.30 0.00 -0.00 0.00 0.00 56.01 56.05 1ccq n LEU 48 Cb 0.49 -0.59 -0.06 0.00 -0.00 0.00 0.00 43.42 43.26 1ccq n LEU 48 CO 0.36 -0.49 -0.26 0.68 -0.00 0.00 0.00 177.39 177.68 1ccq s VAL 49 N -1.34 4.51 -0.15 1.96 -7.23 -1.26 -2.37 120.40 114.52 1ccq s VAL 49 Ca -0.04 -0.81 0.00 0.00 -1.81 0.00 0.00 61.98 59.33 1ccq s VAL 49 Cb 0.01 -3.19 0.02 0.00 0.56 0.00 0.00 36.38 33.78 1ccq s VAL 49 CO 0.06 0.10 -0.14 -0.54 -0.31 0.00 0.00 175.10 174.28 1ccq s LYS 50 N -2.46 2.25 -0.71 4.82 1.02 -0.78 -1.48 119.74 122.40 1ccq s LYS 50 Ca 0.29 -0.57 -0.12 0.00 0.02 0.00 0.00 55.97 55.59 1ccq s LYS 50 Cb -0.12 -2.11 0.18 0.00 -0.52 0.00 0.00 37.83 35.26 1ccq s LYS 50 CO 0.22 -0.25 0.63 0.71 -0.92 0.00 0.00 175.35 175.74 1ccq s TYR 51 N 1.49 3.58 -0.21 3.18 2.02 -1.26 -2.20 117.35 123.95 1ccq s TYR 51 Ca 0.05 -1.95 -0.18 0.00 -0.37 0.00 0.00 57.07 54.62 1ccq s TYR 51 Cb -0.13 -3.70 -0.03 0.00 -0.40 0.00 0.00 41.96 37.70 1ccq s TYR 51 CO -0.10 -0.98 0.51 0.08 -1.57 0.00 0.00 175.55 173.49 1ccq s VAL 52 N 0.53 5.11 0.19 0.71 1.01 -0.97 -4.78 120.40 122.20 1ccq s VAL 52 Ca 0.14 0.92 0.06 0.00 0.00 0.00 0.00 61.98 63.09 1ccq s VAL 52 Cb -0.17 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 1ccq s VAL 52 CO -0.05 0.17 0.15 0.00 0.00 0.00 0.00 175.10 175.37 1ccq n ASN 55 N 2.01 7.10 -4.14 0.00 6.94 -1.26 -2.74 115.26 123.17 1ccq n ASN 55 Ca -0.18 -3.80 -0.16 0.00 -0.02 0.00 0.00 54.58 50.42 1ccq n ASN 55 Cb 0.57 -0.90 -0.12 0.00 -2.36 0.00 0.00 39.78 36.98 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 -4.95 0.91 0.54 5.53 -4.23 -1.26 -5.08 115.64 107.09 1ccq s THR 56 Ca 0.58 -1.32 -0.20 0.00 -1.18 0.00 0.00 61.69 59.57 1ccq s THR 56 Cb 0.47 -1.00 -0.06 0.00 1.34 0.00 0.00 72.50 73.24 1ccq s THR 56 CO -0.16 -0.35 1.15 -1.81 -0.54 0.00 0.00 174.62 172.91 1ccq s ASP 57 N -1.86 5.71 -1.45 3.99 1.01 -1.26 -3.10 116.67 119.71 1ccq s ASP 57 Ca -0.03 2.24 -0.02 0.00 0.71 0.00 0.00 52.55 55.45 1ccq s ASP 57 Cb -0.08 -2.59 0.02 0.00 1.01 0.00 0.00 42.92 41.28 1ccq s ASP 57 CO 0.01 -1.23 0.06 2.29 0.21 0.00 0.00 175.17 176.51 1ccq n LYS 58 N -1.21 -0.92 -0.13 8.23 0.00 -1.05 -4.79 118.16 118.28 1ccq n LYS 58 Ca 0.11 0.09 -0.23 0.00 -0.00 0.00 0.00 58.31 58.28 1ccq n LYS 58 Cb 0.50 -3.39 -0.11 0.00 -0.00 0.00 0.00 35.03 32.04 1ccq n LYS 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40