#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 2.29 -0.11 1.47 1.02 -1.26 -1.80 119.74 121.35 1ccq s LYS 2 Ca 0.00 -1.51 -0.05 0.00 0.02 0.00 0.00 55.97 54.44 1ccq s LYS 2 Cb 0.00 -3.45 -0.04 0.00 -0.52 0.00 0.00 37.83 33.82 1ccq s LYS 2 CO 0.00 -0.85 0.07 0.00 -0.92 0.00 0.00 175.35 173.64 1ccq s LYS 4 N -0.83 3.37 0.00 0.00 3.01 -1.26 -1.87 119.74 122.16 1ccq s LYS 4 Ca 0.13 -0.55 0.00 0.00 -1.01 0.00 0.00 55.97 54.54 1ccq s LYS 4 Cb -0.12 -2.96 0.00 0.00 -1.01 0.00 0.00 37.83 33.74 1ccq s LYS 4 CO 0.03 0.56 0.00 1.63 0.51 0.00 0.00 175.35 178.08 1ccq n LYS 5 N -0.11 1.37 -2.62 1.68 5.02 -0.98 -4.45 118.16 118.08 1ccq n LYS 5 Ca -0.06 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 55.98 1ccq n LYS 5 Cb 0.53 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.56 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 3.38 0.16 -0.35 1.43 -1.26 -4.65 118.68 117.39 1ccq s LEU 6 Ca 0.00 0.51 -0.31 0.00 -1.03 0.00 0.00 54.13 53.30 1ccq s LEU 6 Cb 0.00 -3.35 -0.17 0.00 0.03 0.00 0.00 46.19 42.69 1ccq s LEU 6 CO 0.00 -0.95 0.68 0.55 0.23 0.00 0.00 176.35 176.86 1ccq n VAL 7 N -2.39 1.56 -1.52 -1.59 3.14 -1.26 -4.43 118.33 111.84 1ccq n VAL 7 Ca 0.04 -0.39 -0.30 0.00 -2.96 0.00 0.00 64.34 60.73 1ccq n VAL 7 Cb 0.58 -0.08 0.20 0.00 -1.06 0.00 0.00 33.84 33.47 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 -0.80 -0.04 -0.85 1.45 0.04 -1.26 -4.99 135.00 128.54 1ccq s PRO 8 Ca 0.69 -0.15 -0.25 0.00 0.04 0.00 0.00 61.00 61.33 1ccq s PRO 8 Cb -0.98 -1.74 -0.07 0.00 0.04 0.00 0.00 34.50 31.74 1ccq s PRO 8 CO 0.56 -2.91 2.08 -1.17 0.04 0.00 0.00 177.00 175.60 1ccq s LEU 9 N -6.35 3.09 -0.21 -3.56 0.20 -1.26 -4.86 118.68 105.74 1ccq s LEU 9 Ca 0.71 -0.41 0.02 0.00 0.69 0.00 0.00 54.13 55.14 1ccq s LEU 9 Cb -0.08 -2.55 0.03 0.00 -0.43 0.00 0.00 46.19 43.16 1ccq s LEU 9 CO 0.54 -3.04 -0.17 0.12 -0.29 0.00 0.00 176.35 173.51 1ccq s PHE 10 N 11.36 2.95 0.16 5.38 5.36 -1.26 -5.06 117.98 136.86 1ccq s PHE 10 Ca 0.77 -1.89 -0.21 0.00 -0.96 0.00 0.00 56.93 54.64 1ccq s PHE 10 Cb -0.09 -1.92 -0.08 0.00 -0.34 0.00 0.00 43.02 40.60 1ccq s PHE 10 CO 0.03 -0.83 0.68 -1.54 -1.46 0.00 0.00 175.22 172.10 1ccq s SER 11 N 1.22 7.15 -0.07 6.13 1.04 -1.26 -2.33 113.70 125.59 1ccq s SER 11 Ca -0.00 1.42 -0.03 0.00 0.48 0.00 0.00 55.95 57.82 1ccq s SER 11 Cb -0.16 -2.42 0.04 0.00 0.10 0.00 0.00 66.02 63.59 1ccq s SER 11 CO -0.10 0.16 0.15 -0.75 0.98 0.00 0.00 173.24 173.68 1ccq s LYS 12 N -1.46 0.09 -0.09 4.02 2.20 -0.78 -4.99 119.74 118.73 1ccq s LYS 12 Ca 0.36 0.39 -0.27 0.00 -0.36 0.00 0.00 55.97 56.09 1ccq s LYS 12 Cb -0.19 -0.18 -0.02 0.00 -1.51 0.00 0.00 37.83 35.92 1ccq s LYS 12 CO 0.22 -0.18 0.90 0.99 -0.36 0.00 0.00 175.35 176.92 1ccq s THR 13 N 1.25 4.88 -0.02 3.43 2.01 -1.26 -2.08 115.64 123.85 1ccq s THR 13 Ca -0.08 1.83 -0.32 0.00 0.31 0.00 0.00 61.69 63.43 1ccq s THR 13 Cb -0.12 -4.22 -0.10 0.00 0.01 0.00 0.00 72.50 68.07 1ccq s THR 13 CO -0.06 0.10 1.95 0.00 -0.69 0.00 0.00 174.62 175.91 1ccq s PRO 15 N 4.37 2.72 0.03 0.00 0.04 -1.26 -4.84 135.00 136.06 1ccq s PRO 15 Ca 0.91 0.87 -0.38 0.00 0.04 0.00 0.00 61.00 62.44 1ccq s PRO 15 Cb -0.54 -1.97 -0.19 0.00 0.04 0.00 0.00 34.50 31.84 1ccq s PRO 15 CO 0.46 -1.23 1.11 0.00 0.04 0.00 0.00 177.00 177.37 1ccq n ALA 16 N -3.21 -2.92 0.00 8.56 0.00 -1.26 -1.59 120.51 120.09 1ccq n ALA 16 Ca 0.07 0.57 0.00 0.00 0.00 0.00 0.00 53.44 54.08 1ccq n ALA 16 Cb 0.54 -1.83 0.00 0.00 0.00 0.00 0.00 19.45 18.16 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 1.77 3.20 3.59 0.00 0.00 -1.26 -5.05 105.19 107.44 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 2.83 0.00 1.61 1.02 -0.62 -4.38 119.74 120.20 1ccq s LYS 18 Ca 0.00 -0.52 0.00 0.00 0.02 0.00 0.00 55.97 55.47 1ccq s LYS 18 Cb 0.00 -2.64 0.00 0.00 -0.52 0.00 0.00 37.83 34.67 1ccq s LYS 18 CO 0.00 0.65 0.75 0.09 -0.92 0.00 0.00 175.35 175.92 1ccq n ASN 19 N 2.27 0.00 -4.18 2.83 3.02 -1.04 -4.38 115.26 113.78 1ccq n ASN 19 Ca -0.18 -1.56 -0.14 0.00 -0.03 0.00 0.00 54.58 52.67 1ccq n ASN 19 Cb 0.53 -0.11 -0.11 0.00 -0.61 0.00 0.00 39.78 39.48 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 2.42 -0.16 3.41 1.43 -0.88 -4.90 118.68 120.00 1ccq s LEU 20 Ca 0.00 -0.84 -0.04 0.00 -1.03 0.00 0.00 54.13 52.22 1ccq s LEU 20 Cb 0.00 -0.29 -0.03 0.00 0.03 0.00 0.00 46.19 45.90 1ccq s LEU 20 CO 0.00 -0.28 -0.02 0.00 0.23 0.00 0.00 176.35 176.27 1ccq s TYR 22 N 0.39 2.91 -0.22 0.00 -0.85 -0.56 -2.38 117.35 116.64 1ccq s TYR 22 Ca -0.03 -0.01 -0.04 0.00 -0.52 0.00 0.00 57.07 56.47 1ccq s TYR 22 Cb -0.14 -1.66 0.08 0.00 0.38 0.00 0.00 41.96 40.62 1ccq s TYR 22 CO 0.03 0.35 0.14 -1.59 -1.52 0.00 0.00 175.55 172.95 1ccq s LYS 23 N -1.10 0.14 -0.12 -3.49 -2.85 -0.94 -2.21 119.74 109.16 1ccq s LYS 23 Ca 0.15 -0.20 -0.07 0.00 -1.00 0.00 0.00 55.97 54.85 1ccq s LYS 23 Cb -0.11 -1.44 -0.04 0.00 -2.06 0.00 0.00 37.83 34.18 1ccq s LYS 23 CO 0.04 -0.81 0.15 1.41 0.10 0.00 0.00 175.35 176.24 1ccq s MET 24 N 2.17 3.52 0.15 1.78 1.75 -0.49 -2.58 119.30 125.60 1ccq s MET 24 Ca 0.06 -0.13 -0.05 0.00 -1.25 0.00 0.00 55.69 54.32 1ccq s MET 24 Cb -0.16 -3.21 -0.02 0.00 2.84 0.00 0.00 34.83 34.28 1ccq s MET 24 CO -0.21 0.73 0.17 -0.59 -0.65 0.00 0.00 175.02 174.48 1ccq s PHE 25 N -0.90 0.65 0.03 4.11 -0.71 -0.97 -1.56 117.98 118.63 1ccq s PHE 25 Ca 0.15 -1.01 -0.19 0.00 -1.04 0.00 0.00 56.93 54.84 1ccq s PHE 25 Cb -0.12 -0.28 -0.06 0.00 -1.21 0.00 0.00 43.02 41.35 1ccq s PHE 25 CO 0.04 -0.62 0.54 -1.64 -1.34 0.00 0.00 175.22 172.20 1ccq s MET 26 N -4.01 4.19 -0.69 1.99 -1.94 -1.26 -1.69 119.30 115.89 1ccq s MET 26 Ca 0.21 0.67 -0.25 0.00 -1.71 0.00 0.00 55.69 54.62 1ccq s MET 26 Cb 0.05 -3.27 -0.20 0.00 2.01 0.00 0.00 34.83 33.42 1ccq s MET 26 CO 0.01 0.56 1.86 1.55 -0.01 0.00 0.00 175.02 179.00 1ccq n VAL 27 N 2.07 1.27 0.00 -6.03 3.14 -1.03 -2.10 118.33 115.65 1ccq n VAL 27 Ca -0.10 -1.17 0.00 0.00 -2.96 0.00 0.00 64.34 60.11 1ccq n VAL 27 Cb 0.51 -2.19 0.00 0.00 -1.06 0.00 0.00 33.84 31.10 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 10.05 0.00 -3.80 1.55 0.00 -1.26 -5.03 120.51 122.01 1ccq n ALA 28 Ca 0.47 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.64 1ccq n ALA 28 Cb 0.42 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.76 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 -1.27 3.38 1.47 0.00 0.00 -0.89 -4.89 120.51 118.31 1ccq n ALA 29 Ca 0.00 -4.36 0.12 0.00 0.00 0.00 0.00 53.44 49.20 1ccq n ALA 29 Cb 0.00 -0.99 0.70 0.00 0.00 0.00 0.00 19.45 19.17 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 1.99 0.72 -0.08 0.00 -0.04 -1.26 -3.19 135.00 133.14 1ccq n PRO 30 Ca 0.22 0.01 -0.13 0.00 -0.04 0.00 0.00 63.50 63.56 1ccq n PRO 30 Cb 0.37 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.25 1ccq n PRO 30 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1ccq h HIS 31 N 0.00 0.00 -3.15 0.54 6.17 -1.94 -3.45 115.15 113.32 1ccq h HIS 31 Ca 0.00 0.00 -0.62 0.00 0.71 0.00 0.00 60.37 60.46 1ccq h HIS 31 Cb 0.02 0.00 -0.11 0.00 2.52 0.00 0.00 27.41 29.83 1ccq h HIS 31 CO 0.00 0.83 -0.50 0.08 0.71 0.00 0.00 177.93 179.05 1ccq s VAL 32 N -2.14 5.37 0.21 5.26 1.01 -1.19 -5.10 120.40 123.81 1ccq s VAL 32 Ca -0.18 0.17 -0.04 0.00 0.00 0.00 0.00 61.98 61.93 1ccq s VAL 32 Cb 0.01 -3.42 0.05 0.00 0.00 0.00 0.00 36.38 33.02 1ccq s VAL 32 CO 0.47 0.48 0.23 -0.81 0.00 0.00 0.00 175.10 175.47 1ccq n PRO 33 N 3.19 -0.83 0.04 2.72 -0.04 -1.26 -4.78 135.00 134.05 1ccq n PRO 33 Ca -0.17 -0.37 0.00 0.00 -0.04 0.00 0.00 63.50 62.92 1ccq n PRO 33 Cb 0.53 -0.29 0.00 0.00 -0.04 0.00 0.00 33.50 33.70 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 -2.66 0.30 -4.22 0.52 0.31 -0.60 -4.93 118.33 107.05 1ccq n VAL 34 Ca 0.03 0.10 -0.26 0.00 -0.01 0.00 0.00 64.34 64.20 1ccq n VAL 34 Cb 0.11 -0.78 -0.17 0.00 -0.91 0.00 0.00 33.84 32.10 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 -1.45 1.61 -0.04 5.55 1.02 -0.99 -5.02 119.74 120.41 1ccq s LYS 35 Ca 0.00 -0.33 0.03 0.00 0.02 0.00 0.00 55.97 55.69 1ccq s LYS 35 Cb 0.00 -1.50 0.01 0.00 -0.52 0.00 0.00 37.83 35.82 1ccq s LYS 35 CO 0.00 -0.13 -0.12 1.03 -0.92 0.00 0.00 175.35 175.21 1ccq s ARG 36 N 1.21 1.39 0.00 1.68 0.52 -1.26 -1.39 118.95 121.10 1ccq s ARG 36 Ca -0.04 -0.39 0.00 0.00 -0.52 0.00 0.00 55.73 54.77 1ccq s ARG 36 Cb -0.14 -1.22 0.00 0.00 0.52 0.00 0.00 34.95 34.11 1ccq s ARG 36 CO -0.03 0.10 0.00 0.41 0.02 0.00 0.00 175.30 175.80 1ccq n GLY 37 N 3.50 2.30 3.97 -3.53 0.00 -0.94 -4.55 105.19 105.94 1ccq n GLY 37 Ca -0.20 -0.70 -0.21 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.48 0.00 -0.20 0.00 2.07 -0.54 -4.70 121.20 115.36 1ccq s ILE 39 Ca 0.50 0.00 -0.15 0.00 -1.41 0.00 0.00 60.65 59.60 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 0.36 0.00 -0.32 -0.67 -1.91 0.00 0.00 174.94 172.39 1ccq n ASP 40 N 0.10 1.83 -4.44 4.50 2.03 -1.26 -2.08 116.55 117.23 1ccq n ASP 40 Ca -0.11 0.31 -0.35 0.00 0.52 0.00 0.00 54.79 55.17 1ccq n ASP 40 Cb 0.61 -0.72 -0.13 0.00 -0.72 0.00 0.00 41.12 40.16 1ccq n ASP 40 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1ccq s VAL 41 N -2.67 3.87 -0.21 5.18 1.01 -1.26 -4.74 120.40 121.58 1ccq s VAL 41 Ca -0.30 -0.34 -0.29 0.00 0.00 0.00 0.00 61.98 61.04 1ccq s VAL 41 Cb 0.08 -2.74 -0.01 0.00 0.00 0.00 0.00 36.38 33.71 1ccq s VAL 41 CO 0.42 0.43 1.31 0.00 0.00 0.00 0.00 175.10 177.26 1ccq s PRO 43 N 3.83 0.96 0.55 0.00 0.04 -1.26 -5.04 135.00 134.07 1ccq s PRO 43 Ca 0.57 0.22 -0.12 0.00 0.04 0.00 0.00 61.00 61.71 1ccq s PRO 43 Cb -0.20 -1.82 -0.05 0.00 0.04 0.00 0.00 34.50 32.46 1ccq s PRO 43 CO 0.19 -2.30 0.96 0.21 0.04 0.00 0.00 177.00 176.09 1ccq s LYS 44 N -5.33 3.72 0.40 4.56 2.20 -1.26 -4.91 119.74 119.12 1ccq s LYS 44 Ca 0.65 0.71 0.00 0.00 -0.36 0.00 0.00 55.97 56.97 1ccq s LYS 44 Cb -0.14 -2.17 -0.02 0.00 -1.51 0.00 0.00 37.83 33.99 1ccq s LYS 44 CO 0.53 -0.37 0.61 -1.12 -0.36 0.00 0.00 175.35 174.64 1ccq s SER 45 N -3.72 6.08 0.32 1.43 0.01 -1.26 -4.72 113.70 111.83 1ccq s SER 45 Ca 0.55 0.38 0.03 0.00 1.31 0.00 0.00 55.95 58.22 1ccq s SER 45 Cb -0.10 -1.80 -0.01 0.00 0.21 0.00 0.00 66.02 64.32 1ccq s SER 45 CO 0.43 -0.49 0.11 -1.54 0.41 0.00 0.00 173.24 172.16 1ccq n SER 46 N -1.93 1.24 0.05 2.44 3.41 -0.73 -5.01 113.62 113.09 1ccq n SER 46 Ca -0.02 -2.67 0.13 0.00 -0.26 0.00 0.00 58.87 56.05 1ccq n SER 46 Cb 0.57 0.77 0.33 0.00 -0.26 0.00 0.00 64.21 65.61 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 0.57 -0.01 1.04 4.77 -1.26 -4.27 117.00 117.84 1ccq n LEU 47 Ca -0.05 0.33 -0.01 0.00 -0.03 0.00 0.00 56.01 56.25 1ccq n LEU 47 Cb 0.47 -0.29 -0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1ccq n LEU 47 CO 0.25 -0.05 -0.08 -0.11 -1.33 0.00 0.00 177.39 176.08 1ccq n LEU 48 N -1.93 0.31 -4.75 2.23 7.94 -1.26 -4.80 117.00 114.74 1ccq n LEU 48 Ca 0.05 0.24 -0.29 0.00 -1.11 0.00 0.00 56.01 54.90 1ccq n LEU 48 Cb 0.40 -0.56 -0.07 0.00 0.53 0.00 0.00 43.42 43.73 1ccq n LEU 48 CO 0.33 -0.49 -0.28 0.68 -1.11 0.00 0.00 177.39 176.53 1ccq s VAL 49 N -1.24 4.34 -0.19 1.96 -7.23 -1.26 -2.46 120.40 114.31 1ccq s VAL 49 Ca -0.03 -0.93 0.01 0.00 -1.81 0.00 0.00 61.98 59.22 1ccq s VAL 49 Cb 0.00 -3.11 0.03 0.00 0.56 0.00 0.00 36.38 33.86 1ccq s VAL 49 CO 0.05 0.06 -0.18 -0.54 -0.31 0.00 0.00 175.10 174.18 1ccq s LYS 50 N -2.55 2.83 -0.58 4.82 1.02 -0.68 -1.77 119.74 122.84 1ccq s LYS 50 Ca 0.29 -0.92 -0.10 0.00 0.02 0.00 0.00 55.97 55.26 1ccq s LYS 50 Cb -0.11 -2.61 0.15 0.00 -0.52 0.00 0.00 37.83 34.73 1ccq s LYS 50 CO 0.21 -0.28 0.47 0.71 -0.92 0.00 0.00 175.35 175.54 1ccq s TYR 51 N 1.26 3.47 -0.24 3.18 2.02 -1.26 -2.29 117.35 123.48 1ccq s TYR 51 Ca 0.02 -1.96 -0.10 0.00 -0.37 0.00 0.00 57.07 54.66 1ccq s TYR 51 Cb -0.14 -3.56 -0.05 0.00 -0.40 0.00 0.00 41.96 37.81 1ccq s TYR 51 CO -0.11 -0.97 0.16 0.08 -1.57 0.00 0.00 175.55 173.13 1ccq s VAL 52 N 0.92 5.30 0.25 0.71 1.01 -1.06 -4.72 120.40 122.80 1ccq s VAL 52 Ca 0.10 0.16 0.09 0.00 0.00 0.00 0.00 61.98 62.32 1ccq s VAL 52 Cb -0.22 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 1ccq s VAL 52 CO -0.02 0.34 0.04 0.00 0.00 0.00 0.00 175.10 175.46 1ccq n ASN 55 N 1.52 7.26 -4.04 0.00 6.94 -1.26 -2.72 115.26 122.96 1ccq n ASN 55 Ca -0.20 -3.82 -0.10 0.00 -0.02 0.00 0.00 54.58 50.44 1ccq n ASN 55 Cb 0.56 -0.99 -0.11 0.00 -2.36 0.00 0.00 39.78 36.89 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 -5.08 0.29 0.54 5.53 -4.23 -1.26 -5.08 115.64 106.36 1ccq s THR 56 Ca 0.54 -1.19 -0.18 0.00 -1.18 0.00 0.00 61.69 59.67 1ccq s THR 56 Cb 0.45 -0.68 -0.06 0.00 1.34 0.00 0.00 72.50 73.55 1ccq s THR 56 CO -0.33 -0.58 1.07 -1.81 -0.54 0.00 0.00 174.62 172.43 1ccq s ASP 57 N -1.87 5.94 -1.67 3.99 1.01 -1.26 -3.32 116.67 119.49 1ccq s ASP 57 Ca -0.08 1.96 -0.10 0.00 0.71 0.00 0.00 52.55 55.03 1ccq s ASP 57 Cb -0.06 -2.56 0.10 0.00 1.01 0.00 0.00 42.92 41.42 1ccq s ASP 57 CO -0.02 -1.06 0.25 2.29 0.21 0.00 0.00 175.17 176.84 1ccq n LYS 58 N -1.47 -0.84 -0.13 8.23 2.85 -1.05 -4.78 118.16 120.97 1ccq n LYS 58 Ca 0.10 0.11 -0.20 0.00 -1.05 0.00 0.00 58.31 57.26 1ccq n LYS 58 Cb 0.52 -4.00 -0.11 0.00 -0.65 0.00 0.00 35.03 30.79 1ccq n LYS 58 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35