#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 0.08 0.28 1.47 2.20 -1.26 -2.34 119.74 120.16 1ccq s LYS 2 Ca 0.00 0.10 0.11 0.00 -0.36 0.00 0.00 55.97 55.82 1ccq s LYS 2 Cb 0.00 -1.38 -0.05 0.00 -1.51 0.00 0.00 37.83 34.89 1ccq s LYS 2 CO 0.00 -0.60 -0.09 0.00 -0.36 0.00 0.00 175.35 174.30 1ccq s LYS 4 N -3.60 2.19 0.21 0.00 1.02 -1.26 -1.52 119.74 116.77 1ccq s LYS 4 Ca 0.31 -2.16 0.00 0.00 0.02 0.00 0.00 55.97 54.15 1ccq s LYS 4 Cb -0.05 -1.78 -0.00 0.00 -0.52 0.00 0.00 37.83 35.48 1ccq s LYS 4 CO 0.18 -0.33 0.02 1.63 -0.92 0.00 0.00 175.35 175.92 1ccq n LYS 5 N -1.34 1.29 -2.46 1.68 5.02 -0.92 -4.33 118.16 117.10 1ccq n LYS 5 Ca -0.09 -1.57 -0.24 0.00 -2.02 0.00 0.00 58.31 54.39 1ccq n LYS 5 Cb 0.66 0.53 0.07 0.00 -0.02 0.00 0.00 35.03 36.27 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 3.02 0.18 -0.35 1.43 -1.26 -4.56 118.68 117.14 1ccq s LEU 6 Ca 0.02 0.04 -0.31 0.00 -1.03 0.00 0.00 54.13 52.85 1ccq s LEU 6 Cb 0.00 -2.65 -0.16 0.00 0.03 0.00 0.00 46.19 43.40 1ccq s LEU 6 CO 0.02 -1.57 0.92 0.55 0.23 0.00 0.00 176.35 176.50 1ccq n VAL 7 N -2.73 1.33 -1.57 -1.59 3.14 -1.26 -4.23 118.33 111.43 1ccq n VAL 7 Ca 0.10 -0.33 -0.31 0.00 -2.96 0.00 0.00 64.34 60.84 1ccq n VAL 7 Cb 0.60 -0.49 0.06 0.00 -1.06 0.00 0.00 33.84 32.96 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 -0.75 2.72 -0.07 1.45 0.04 -1.26 -5.04 135.00 132.09 1ccq s PRO 8 Ca 0.70 0.88 -0.30 0.00 0.04 0.00 0.00 61.00 62.32 1ccq s PRO 8 Cb -0.91 -1.97 -0.08 0.00 0.04 0.00 0.00 34.50 31.58 1ccq s PRO 8 CO 0.56 -1.23 2.07 -0.11 0.04 0.00 0.00 177.00 178.32 1ccq n LEU 9 N -3.21 3.76 -3.72 -3.56 0.00 -1.26 -4.89 117.00 104.12 1ccq n LEU 9 Ca 0.07 0.64 -0.12 0.00 0.00 0.00 0.00 56.01 56.61 1ccq n LEU 9 Cb 0.54 -1.52 -0.11 0.00 0.00 0.00 0.00 43.42 42.33 1ccq n LEU 9 CO 0.56 -0.16 0.01 0.12 0.00 0.00 0.00 177.39 177.92 1ccq s PHE 10 N 5.94 -0.49 0.22 1.96 5.36 -1.26 -5.08 117.98 124.63 1ccq s PHE 10 Ca 0.94 1.09 -0.10 0.00 -0.96 0.00 0.00 56.93 57.90 1ccq s PHE 10 Cb -0.42 0.18 -0.07 0.00 -0.34 0.00 0.00 43.02 42.37 1ccq s PHE 10 CO 0.40 -0.28 0.55 -1.54 -1.46 0.00 0.00 175.22 172.89 1ccq s SER 11 N 1.06 6.64 -0.10 6.13 1.04 -1.26 -2.17 113.70 125.05 1ccq s SER 11 Ca -0.07 0.94 -0.04 0.00 0.48 0.00 0.00 55.95 57.26 1ccq s SER 11 Cb -0.07 -2.23 0.05 0.00 0.10 0.00 0.00 66.02 63.87 1ccq s SER 11 CO -0.08 -0.06 0.20 -0.75 0.98 0.00 0.00 173.24 173.53 1ccq s LYS 12 N -2.74 0.10 0.19 4.02 2.47 -0.57 -4.96 119.74 118.25 1ccq s LYS 12 Ca 0.47 0.59 -0.20 0.00 -1.56 0.00 0.00 55.97 55.27 1ccq s LYS 12 Cb -0.11 -0.16 -0.08 0.00 -1.46 0.00 0.00 37.83 36.01 1ccq s LYS 12 CO 0.21 -0.26 0.70 0.99 0.16 0.00 0.00 175.35 177.15 1ccq s THR 13 N 2.04 4.58 -0.38 3.43 2.01 -1.26 -2.12 115.64 123.94 1ccq s THR 13 Ca -0.01 1.29 -0.22 0.00 0.31 0.00 0.00 61.69 63.06 1ccq s THR 13 Cb -0.12 -3.89 0.01 0.00 0.01 0.00 0.00 72.50 68.52 1ccq s THR 13 CO -0.07 0.29 0.75 0.00 -0.69 0.00 0.00 174.62 174.89 1ccq s PRO 15 N 3.04 2.42 0.04 0.00 0.04 -1.26 -4.82 135.00 134.45 1ccq s PRO 15 Ca 0.29 0.77 -0.37 0.00 0.04 0.00 0.00 61.00 61.73 1ccq s PRO 15 Cb -0.13 -1.95 -0.19 0.00 0.04 0.00 0.00 34.50 32.27 1ccq s PRO 15 CO 0.18 -1.42 0.94 0.00 0.04 0.00 0.00 177.00 176.74 1ccq n ALA 16 N -3.32 -3.46 0.00 8.56 0.00 -1.26 -1.82 120.51 119.21 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 0.55 -1.71 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 1.59 3.23 3.53 0.00 0.00 -1.26 -5.05 105.19 107.22 1ccq n GLY 17 Ca 0.19 -1.04 -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 3.10 0.00 1.61 1.02 -0.76 -4.49 119.74 120.23 1ccq s LYS 18 Ca 0.00 -0.55 0.00 0.00 0.02 0.00 0.00 55.97 55.44 1ccq s LYS 18 Cb 0.00 -2.69 0.00 0.00 -0.52 0.00 0.00 37.83 34.62 1ccq s LYS 18 CO 0.00 0.49 0.75 0.09 -0.92 0.00 0.00 175.35 175.75 1ccq n ASN 19 N 2.76 0.00 -4.33 2.83 3.02 -1.13 -4.45 115.26 113.97 1ccq n ASN 19 Ca -0.18 -1.54 -0.18 0.00 -0.03 0.00 0.00 54.58 52.65 1ccq n ASN 19 Cb 0.53 -0.11 -0.10 0.00 -0.61 0.00 0.00 39.78 39.49 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 2.53 -0.17 3.41 1.43 -0.95 -4.74 118.68 120.20 1ccq s LEU 20 Ca 0.00 -0.99 -0.02 0.00 -1.03 0.00 0.00 54.13 52.09 1ccq s LEU 20 Cb 0.00 -0.66 -0.01 0.00 0.03 0.00 0.00 46.19 45.55 1ccq s LEU 20 CO 0.00 -0.16 -0.10 0.00 0.23 0.00 0.00 176.35 176.32 1ccq s TYR 22 N 0.79 3.20 -0.08 0.00 -0.85 -0.38 -2.13 117.35 117.90 1ccq s TYR 22 Ca -0.04 0.19 -0.03 0.00 -0.52 0.00 0.00 57.07 56.67 1ccq s TYR 22 Cb -0.15 -1.83 0.04 0.00 0.38 0.00 0.00 41.96 40.40 1ccq s TYR 22 CO 0.01 0.45 0.08 -1.59 -1.52 0.00 0.00 175.55 172.98 1ccq s LYS 23 N -0.75 -0.03 -0.12 -3.49 -2.85 -0.97 -2.33 119.74 109.20 1ccq s LYS 23 Ca 0.12 0.25 -0.02 0.00 -1.00 0.00 0.00 55.97 55.32 1ccq s LYS 23 Cb -0.12 -0.90 -0.03 0.00 -2.06 0.00 0.00 37.83 34.73 1ccq s LYS 23 CO 0.02 -0.43 -0.02 1.41 0.10 0.00 0.00 175.35 176.43 1ccq s MET 24 N 2.17 3.28 0.26 1.78 1.75 -0.76 -2.05 119.30 125.74 1ccq s MET 24 Ca 0.04 -0.48 -0.03 0.00 -1.25 0.00 0.00 55.69 53.97 1ccq s MET 24 Cb -0.13 -2.83 -0.02 0.00 2.84 0.00 0.00 34.83 34.69 1ccq s MET 24 CO -0.05 0.48 0.32 -0.59 -0.65 0.00 0.00 175.02 174.53 1ccq s PHE 25 N -0.29 1.01 -0.09 4.11 -0.71 -0.99 -1.89 117.98 119.14 1ccq s PHE 25 Ca 0.05 -1.23 -0.20 0.00 -1.04 0.00 0.00 56.93 54.52 1ccq s PHE 25 Cb -0.12 -0.28 -0.04 0.00 -1.21 0.00 0.00 43.02 41.36 1ccq s PHE 25 CO 0.02 -0.87 0.56 -1.64 -1.34 0.00 0.00 175.22 171.95 1ccq s MET 26 N -3.79 4.36 -0.55 1.99 -1.94 -1.26 -1.64 119.30 116.47 1ccq s MET 26 Ca 0.33 0.61 -0.25 0.00 -1.71 0.00 0.00 55.69 54.68 1ccq s MET 26 Cb 0.03 -3.42 -0.23 0.00 2.01 0.00 0.00 34.83 33.22 1ccq s MET 26 CO 0.15 0.17 1.83 1.55 -0.01 0.00 0.00 175.02 178.71 1ccq n VAL 27 N 3.54 1.24 0.00 -6.03 3.14 -1.03 -2.16 118.33 117.03 1ccq n VAL 27 Ca -0.05 -1.09 0.00 0.00 -2.96 0.00 0.00 64.34 60.24 1ccq n VAL 27 Cb 0.51 -2.21 0.00 0.00 -1.06 0.00 0.00 33.84 31.08 1ccq n VAL 27 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ccq n ALA 28 N 8.31 0.00 -3.90 1.55 0.00 -1.26 -5.03 120.51 120.19 1ccq n ALA 28 Ca 0.49 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.64 1ccq n ALA 28 Cb 0.41 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.74 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 -1.23 3.84 -1.06 0.00 0.00 -0.92 -4.97 121.76 117.42 1ccq s ALA 29 Ca 0.00 -3.85 -0.07 0.00 0.00 0.00 0.00 51.96 48.03 1ccq s ALA 29 Cb 0.00 -2.18 -0.08 0.00 0.00 0.00 0.00 23.12 20.86 1ccq s ALA 29 CO 0.00 -2.10 2.52 -0.35 0.00 0.00 0.00 175.76 175.83 1ccq n PRO 30 N 1.96 2.61 0.00 0.00 -0.04 -1.26 -2.89 135.00 135.37 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 -2.50 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 -1.06 -3.50 0.54 -0.00 -1.26 -5.07 115.22 108.64 1ccq n HIS 31 Ca 0.56 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.86 1ccq n HIS 31 Cb 0.24 0.29 -0.10 0.00 -0.00 0.00 0.00 29.99 30.42 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 -1.58 5.20 1.10 3.57 1.01 -1.14 -5.07 120.40 123.47 1ccq s VAL 32 Ca 0.00 -0.52 -0.19 0.00 0.00 0.00 0.00 61.98 61.28 1ccq s VAL 32 Cb 0.00 -3.81 0.26 0.00 0.00 0.00 0.00 36.38 32.83 1ccq s VAL 32 CO 0.00 -0.19 1.21 -0.81 0.00 0.00 0.00 175.10 175.31 1ccq n PRO 33 N 5.12 -2.19 0.05 2.72 -0.04 -1.26 -4.67 135.00 134.73 1ccq n PRO 33 Ca -0.12 -1.90 0.00 0.00 -0.04 0.00 0.00 63.50 61.45 1ccq n PRO 33 Cb 0.48 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 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 -4.33 0.47 -4.67 0.52 0.31 -0.79 -4.99 118.33 104.85 1ccq n VAL 34 Ca 0.16 0.16 -0.28 0.00 -0.01 0.00 0.00 64.34 64.36 1ccq n VAL 34 Cb 0.58 -1.15 -0.14 0.00 -0.91 0.00 0.00 33.84 32.22 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 1.54 -0.20 5.55 1.02 -1.03 -4.94 119.74 119.68 1ccq s LYS 35 Ca 0.00 -1.11 -0.11 0.00 0.02 0.00 0.00 55.97 54.77 1ccq s LYS 35 Cb 0.00 -1.76 0.07 0.00 -0.52 0.00 0.00 37.83 35.61 1ccq s LYS 35 CO 0.00 0.44 0.48 1.03 -0.92 0.00 0.00 175.35 176.38 1ccq s ARG 36 N -1.43 0.47 0.02 1.68 0.52 -1.26 -1.82 118.95 117.12 1ccq s ARG 36 Ca 0.10 0.91 -0.03 0.00 -0.52 0.00 0.00 55.73 56.20 1ccq s ARG 36 Cb -0.10 0.03 0.01 0.00 0.52 0.00 0.00 34.95 35.42 1ccq s ARG 36 CO 0.03 -0.16 0.12 0.41 0.02 0.00 0.00 175.30 175.72 1ccq n GLY 37 N 4.32 1.19 3.94 -3.53 0.00 -0.99 -4.63 105.19 105.49 1ccq n GLY 37 Ca -0.22 -0.94 -0.25 0.00 0.00 0.00 0.00 46.02 44.61 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 -2.76 0.00 -0.14 0.00 2.07 -0.77 -4.72 121.20 114.88 1ccq s ILE 39 Ca 0.51 -0.07 -0.09 0.00 -1.41 0.00 0.00 60.65 59.59 1ccq s ILE 39 Cb -0.10 -1.09 -0.06 0.00 0.13 0.00 0.00 42.46 41.33 1ccq s ILE 39 CO 0.41 0.00 -0.21 -0.90 -1.91 0.00 0.00 174.94 172.33 1ccq n ASP 40 N -0.31 1.26 -4.47 4.50 5.75 -1.26 -2.23 116.55 119.78 1ccq n ASP 40 Ca -0.11 0.21 -0.35 0.00 -0.01 0.00 0.00 54.79 54.53 1ccq n ASP 40 Cb 0.63 -0.51 -0.12 0.00 -1.03 0.00 0.00 41.12 40.09 1ccq n ASP 40 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 1ccq s VAL 41 N -2.36 4.08 -0.27 2.12 -7.23 -1.26 -4.81 120.40 110.68 1ccq s VAL 41 Ca -0.22 -0.27 -0.29 0.00 -1.81 0.00 0.00 61.98 59.39 1ccq s VAL 41 Cb 0.07 -2.85 0.01 0.00 0.56 0.00 0.00 36.38 34.18 1ccq s VAL 41 CO 0.28 0.42 1.07 0.00 -0.31 0.00 0.00 175.10 176.56 1ccq s PRO 43 N 3.42 -0.61 0.41 0.00 0.04 -1.26 -5.06 135.00 131.94 1ccq s PRO 43 Ca 0.45 -0.37 -0.05 0.00 0.04 0.00 0.00 61.00 61.07 1ccq s PRO 43 Cb -0.14 -1.70 -0.04 0.00 0.04 0.00 0.00 34.50 32.66 1ccq s PRO 43 CO 0.10 -3.25 0.70 0.21 0.04 0.00 0.00 177.00 174.80 1ccq s LYS 44 N -5.74 3.60 0.30 4.56 2.20 -1.26 -4.96 119.74 118.43 1ccq s LYS 44 Ca 0.74 0.13 0.02 0.00 -0.36 0.00 0.00 55.97 56.51 1ccq s LYS 44 Cb -0.05 -2.47 -0.03 0.00 -1.51 0.00 0.00 37.83 33.77 1ccq s LYS 44 CO 0.55 -0.04 0.47 -1.12 -0.36 0.00 0.00 175.35 174.85 1ccq s SER 45 N -3.73 6.31 0.32 1.43 0.01 -1.26 -4.74 113.70 112.03 1ccq s SER 45 Ca 0.46 0.30 0.00 0.00 1.31 0.00 0.00 55.95 58.03 1ccq s SER 45 Cb -0.10 -1.97 0.00 0.00 0.21 0.00 0.00 66.02 64.16 1ccq s SER 45 CO 0.38 -0.20 0.00 -1.54 0.41 0.00 0.00 173.24 172.29 1ccq n SER 46 N -1.59 2.87 -0.03 2.44 3.41 -0.84 -5.02 113.62 114.86 1ccq n SER 46 Ca -0.06 -2.39 0.13 0.00 -0.26 0.00 0.00 58.87 56.29 1ccq n SER 46 Cb 0.56 0.22 0.47 0.00 -0.26 0.00 0.00 64.21 65.20 1ccq n SER 46 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1ccq n LEU 47 N 0.00 0.31 0.00 1.04 4.77 -1.26 -4.36 117.00 117.51 1ccq n LEU 47 Ca -0.13 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1ccq n LEU 47 Cb 0.40 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1ccq n LEU 47 CO 0.22 0.07 0.00 -0.11 -1.33 0.00 0.00 177.39 176.24 1ccq n LEU 48 N -1.37 0.00 -4.90 2.23 0.00 -1.26 -4.87 117.00 106.83 1ccq n LEU 48 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 56.01 55.80 1ccq n LEU 48 Cb 0.33 -0.33 -0.03 0.00 0.00 0.00 0.00 43.42 43.38 1ccq n LEU 48 CO 0.30 -0.38 0.21 0.68 0.00 0.00 0.00 177.39 178.19 1ccq s VAL 49 N -0.76 5.02 -0.20 1.96 -7.23 -1.26 -2.47 120.40 115.46 1ccq s VAL 49 Ca 0.00 0.08 -0.00 0.00 -1.81 0.00 0.00 61.98 60.25 1ccq s VAL 49 Cb 0.00 -3.73 0.05 0.00 0.56 0.00 0.00 36.38 33.26 1ccq s VAL 49 CO 0.00 -0.31 -0.04 -0.54 -0.31 0.00 0.00 175.10 173.89 1ccq s LYS 50 N -3.52 1.46 -0.90 4.82 1.02 -0.65 -1.99 119.74 119.98 1ccq s LYS 50 Ca 0.44 -0.75 -0.11 0.00 0.02 0.00 0.00 55.97 55.57 1ccq s LYS 50 Cb -0.11 -2.33 0.23 0.00 -0.52 0.00 0.00 37.83 35.11 1ccq s LYS 50 CO 0.30 -0.54 0.85 0.71 -0.92 0.00 0.00 175.35 175.75 1ccq s TYR 51 N 1.54 3.90 -0.16 3.18 2.02 -1.26 -2.34 117.35 124.23 1ccq s TYR 51 Ca -0.03 -2.32 -0.19 0.00 -0.37 0.00 0.00 57.07 54.17 1ccq s TYR 51 Cb -0.17 -3.75 -0.04 0.00 -0.40 0.00 0.00 41.96 37.60 1ccq s TYR 51 CO -0.07 -0.95 0.51 0.08 -1.57 0.00 0.00 175.55 173.55 1ccq s VAL 52 N -0.37 5.14 -0.03 0.71 1.01 -0.87 -4.76 120.40 121.23 1ccq s VAL 52 Ca 0.22 0.98 0.02 0.00 0.00 0.00 0.00 61.98 63.20 1ccq s VAL 52 Cb -0.11 -3.84 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 1ccq s VAL 52 CO -0.08 0.25 -0.06 0.00 0.00 0.00 0.00 175.10 175.20 1ccq n ASN 55 N 2.30 5.10 -4.29 0.00 6.94 -1.26 -2.70 115.26 121.35 1ccq n ASN 55 Ca -0.16 -3.15 -0.26 0.00 -0.02 0.00 0.00 54.58 51.00 1ccq n ASN 55 Cb 0.55 -0.87 -0.13 0.00 -2.36 0.00 0.00 39.78 36.97 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 -2.55 1.80 0.62 5.53 -4.23 -1.26 -5.03 115.64 110.52 1ccq s THR 56 Ca 0.38 -1.43 -0.15 0.00 -1.18 0.00 0.00 61.69 59.32 1ccq s THR 56 Cb 0.31 -1.59 -0.02 0.00 1.34 0.00 0.00 72.50 72.54 1ccq s THR 56 CO 0.03 0.09 1.08 -1.81 -0.54 0.00 0.00 174.62 173.48 1ccq s ASP 57 N -1.59 5.49 -1.75 3.99 1.01 -1.26 -3.27 116.67 119.28 1ccq s ASP 57 Ca 0.08 1.90 -0.15 0.00 0.71 0.00 0.00 52.55 55.09 1ccq s ASP 57 Cb -0.10 -2.54 0.15 0.00 1.01 0.00 0.00 42.92 41.44 1ccq s ASP 57 CO 0.03 -1.37 0.37 2.29 0.21 0.00 0.00 175.17 176.70 1ccq n LYS 58 N -2.21 -0.80 -0.13 8.23 2.85 -1.05 -4.77 118.16 120.28 1ccq n LYS 58 Ca 0.09 0.12 -0.18 0.00 -1.05 0.00 0.00 58.31 57.29 1ccq n LYS 58 Cb 0.52 -4.27 -0.12 0.00 -0.65 0.00 0.00 35.03 30.51 1ccq n LYS 58 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35