#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 0.07 0.20 3.23 2.20 -1.26 -2.55 119.74 121.63 1ccq s LYS 2 Ca 0.00 0.54 0.11 0.00 -0.36 0.00 0.00 55.97 56.27 1ccq s LYS 2 Cb 0.00 -0.36 -0.04 0.00 -1.51 0.00 0.00 37.83 35.91 1ccq s LYS 2 CO 0.00 -0.35 -0.23 0.00 -0.36 0.00 0.00 175.35 174.41 1ccq s LYS 4 N -2.79 2.66 0.00 0.00 1.02 -1.26 -1.84 119.74 117.53 1ccq s LYS 4 Ca 0.22 -1.40 0.00 0.00 0.02 0.00 0.00 55.97 54.81 1ccq s LYS 4 Cb -0.07 -2.48 0.00 0.00 -0.52 0.00 0.00 37.83 34.76 1ccq s LYS 4 CO 0.10 -0.11 0.00 1.63 -0.92 0.00 0.00 175.35 176.05 1ccq n LYS 5 N -1.54 0.00 -4.60 1.68 5.02 -0.84 -4.26 118.16 113.62 1ccq n LYS 5 Ca 0.02 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.04 1ccq n LYS 5 Cb 0.61 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.52 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 2.37 0.83 -0.35 1.02 -1.26 -4.72 118.68 116.57 1ccq s LEU 6 Ca 0.00 -1.51 -0.15 0.00 0.02 0.00 0.00 54.13 52.49 1ccq s LEU 6 Cb 0.00 -0.57 -0.02 0.00 0.02 0.00 0.00 46.19 45.62 1ccq s LEU 6 CO 0.00 -0.69 0.34 0.52 0.02 0.00 0.00 176.35 176.54 1ccq n VAL 7 N -0.97 0.87 0.02 -1.59 0.31 -1.26 -3.88 118.33 111.84 1ccq n VAL 7 Ca -0.08 -0.33 -0.10 0.00 -0.01 0.00 0.00 64.34 63.82 1ccq n VAL 7 Cb 0.67 -0.60 -0.07 0.00 -0.91 0.00 0.00 33.84 32.92 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 -0.88 -0.15 -1.11 5.55 0.13 -2.08 -3.46 132.00 130.00 1ccq h PRO 8 Ca -0.44 0.01 0.05 0.00 -0.87 0.00 0.00 66.00 64.75 1ccq h PRO 8 Cb 1.32 0.03 -0.22 0.00 0.13 0.00 0.00 31.00 32.27 1ccq h PRO 8 CO 0.37 0.30 -0.31 -1.17 -0.23 0.00 0.00 178.00 176.97 1ccq s LEU 9 N -8.81 -1.33 -0.27 1.56 1.98 -1.25 -5.12 118.68 105.45 1ccq s LEU 9 Ca -0.12 0.71 -0.04 0.00 -2.89 0.00 0.00 54.13 51.80 1ccq s LEU 9 Cb -0.00 2.03 0.09 0.00 0.66 0.00 0.00 46.19 48.97 1ccq s LEU 9 CO 0.44 -0.27 0.12 0.12 -1.89 0.00 0.00 176.35 174.86 1ccq s PHE 10 N 2.82 0.46 0.28 5.38 2.19 -1.25 -5.08 117.98 122.76 1ccq s PHE 10 Ca 0.19 -0.86 -0.24 0.00 0.33 0.00 0.00 56.93 56.35 1ccq s PHE 10 Cb -0.14 -0.94 -0.09 0.00 -1.31 0.00 0.00 43.02 40.53 1ccq s PHE 10 CO -0.21 -0.77 0.86 -1.54 1.83 0.00 0.00 175.22 175.39 1ccq s SER 11 N 2.05 7.26 -0.10 6.13 1.04 -1.26 -1.98 113.70 126.83 1ccq s SER 11 Ca 0.07 1.69 -0.06 0.00 0.48 0.00 0.00 55.95 58.13 1ccq s SER 11 Cb -0.16 -2.52 0.04 0.00 0.10 0.00 0.00 66.02 63.48 1ccq s SER 11 CO -0.30 -0.01 0.25 -0.75 0.98 0.00 0.00 173.24 173.42 1ccq s LYS 12 N -1.94 0.22 0.22 4.02 2.47 -0.76 -4.96 119.74 119.01 1ccq s LYS 12 Ca 0.46 0.51 -0.23 0.00 -1.56 0.00 0.00 55.97 55.15 1ccq s LYS 12 Cb -0.18 -0.08 -0.08 0.00 -1.46 0.00 0.00 37.83 36.02 1ccq s LYS 12 CO 0.23 -0.14 0.79 0.99 0.16 0.00 0.00 175.35 177.38 1ccq s THR 13 N 1.09 4.40 -0.36 3.43 2.01 -1.26 -1.99 115.64 122.95 1ccq s THR 13 Ca -0.08 1.58 -0.28 0.00 0.31 0.00 0.00 61.69 63.22 1ccq s THR 13 Cb -0.09 -4.01 0.02 0.00 0.01 0.00 0.00 72.50 68.42 1ccq s THR 13 CO -0.07 0.33 1.03 0.00 -0.69 0.00 0.00 174.62 175.22 1ccq s PRO 15 N 3.72 2.88 0.04 0.00 0.04 -1.26 -4.85 135.00 135.56 1ccq s PRO 15 Ca 0.43 0.93 -0.38 0.00 0.04 0.00 0.00 61.00 62.02 1ccq s PRO 15 Cb -0.11 -1.99 -0.19 0.00 0.04 0.00 0.00 34.50 32.25 1ccq s PRO 15 CO 0.19 -1.13 1.09 0.00 0.04 0.00 0.00 177.00 177.19 1ccq n ALA 16 N -3.15 -3.00 0.00 8.56 0.00 -1.26 -1.75 120.51 119.92 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 -1.82 0.00 0.00 0.00 0.00 0.00 19.45 18.17 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 1.74 3.22 3.70 0.00 0.00 -1.26 -5.06 105.19 107.53 1ccq n GLY 17 Ca 0.19 -1.06 -0.35 0.00 0.00 0.00 0.00 46.02 44.81 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 3.57 0.00 1.61 1.02 -0.71 -4.20 119.74 121.03 1ccq s LYS 18 Ca 0.00 -0.32 0.00 0.00 0.02 0.00 0.00 55.97 55.67 1ccq s LYS 18 Cb 0.00 -3.08 0.00 0.00 -0.52 0.00 0.00 37.83 34.23 1ccq s LYS 18 CO 0.00 0.51 0.70 0.09 -0.92 0.00 0.00 175.35 175.73 1ccq n ASN 19 N 2.79 0.00 -4.14 2.83 3.02 -0.96 -4.53 115.26 114.27 1ccq n ASN 19 Ca -0.18 -1.41 -0.11 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 39.52 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 2.44 -0.17 3.41 1.43 -0.88 -4.86 118.68 120.05 1ccq s LEU 20 Ca 0.00 -0.89 -0.04 0.00 -1.03 0.00 0.00 54.13 52.17 1ccq s LEU 20 Cb 0.00 -0.10 -0.03 0.00 0.03 0.00 0.00 46.19 46.09 1ccq s LEU 20 CO 0.00 -0.39 -0.02 0.00 0.23 0.00 0.00 176.35 176.16 1ccq s TYR 22 N 0.61 3.08 -0.18 0.00 -0.85 -0.60 -2.18 117.35 117.23 1ccq s TYR 22 Ca -0.02 0.13 -0.05 0.00 -0.52 0.00 0.00 57.07 56.61 1ccq s TYR 22 Cb -0.14 -1.75 0.07 0.00 0.38 0.00 0.00 41.96 40.51 1ccq s TYR 22 CO 0.02 0.43 0.11 0.21 -1.52 0.00 0.00 175.55 174.80 1ccq s LYS 23 N -0.95 0.08 -0.13 -3.49 2.20 -0.90 -2.27 119.74 114.29 1ccq s LYS 23 Ca 0.14 -0.06 -0.07 0.00 -0.36 0.00 0.00 55.97 55.61 1ccq s LYS 23 Cb -0.11 -1.73 -0.04 0.00 -1.51 0.00 0.00 37.83 34.44 1ccq s LYS 23 CO 0.03 -0.68 0.13 1.41 -0.36 0.00 0.00 175.35 175.88 1ccq s MET 24 N 2.16 3.51 0.28 4.03 -2.45 -0.86 -2.26 119.30 123.70 1ccq s MET 24 Ca 0.03 -0.16 -0.08 0.00 -1.25 0.00 0.00 55.69 54.22 1ccq s MET 24 Cb -0.16 -3.19 -0.00 0.00 1.25 0.00 0.00 34.83 32.73 1ccq s MET 24 CO -0.10 0.71 0.45 -0.59 1.05 0.00 0.00 175.02 176.53 1ccq s PHE 25 N -0.83 0.66 -0.12 4.11 -0.71 -1.00 -1.73 117.98 118.36 1ccq s PHE 25 Ca 0.14 -0.98 -0.15 0.00 -1.04 0.00 0.00 56.93 54.89 1ccq s PHE 25 Cb -0.12 0.05 -0.05 0.00 -1.21 0.00 0.00 43.02 41.69 1ccq s PHE 25 CO 0.03 -1.02 0.37 -1.64 -1.34 0.00 0.00 175.22 171.62 1ccq s MET 26 N -3.66 4.21 -0.85 1.99 -1.94 -1.26 -1.61 119.30 116.19 1ccq s MET 26 Ca 0.27 0.27 -0.24 0.00 -1.71 0.00 0.00 55.69 54.27 1ccq s MET 26 Cb 0.00 -3.39 -0.18 0.00 2.01 0.00 0.00 34.83 33.27 1ccq s MET 26 CO 0.13 0.30 1.90 1.55 -0.01 0.00 0.00 175.02 178.89 1ccq n VAL 27 N 3.27 1.32 0.00 -6.03 3.14 -1.08 -2.26 118.33 116.69 1ccq n VAL 27 Ca -0.11 -1.27 0.00 0.00 -2.96 0.00 0.00 64.34 60.00 1ccq n VAL 27 Cb 0.52 -2.17 0.00 0.00 -1.06 0.00 0.00 33.84 31.13 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 11.97 0.00 -3.82 1.55 0.00 -1.26 -5.03 120.51 123.93 1ccq n ALA 28 Ca 0.46 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.62 1ccq n ALA 28 Cb 0.44 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.77 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 -1.14 3.51 -0.82 0.00 0.00 -0.96 -4.96 120.51 116.13 1ccq n ALA 29 Ca 0.00 -4.54 -0.15 0.00 0.00 0.00 0.00 53.44 48.74 1ccq n ALA 29 Cb 0.00 -1.00 -0.09 0.00 0.00 0.00 0.00 19.45 18.35 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 1.80 1.91 0.01 0.00 -0.04 -1.26 -3.02 135.00 134.39 1ccq n PRO 30 Ca 0.22 -1.08 0.00 0.00 -0.04 0.00 0.00 63.50 62.60 1ccq n PRO 30 Cb 0.36 -2.11 0.00 0.00 -0.04 0.00 0.00 33.50 31.72 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 3.04 -0.94 -3.53 0.54 -0.00 -1.26 -5.06 115.22 108.01 1ccq n HIS 31 Ca 0.41 0.03 -0.40 0.00 -0.00 0.00 0.00 57.72 57.76 1ccq n HIS 31 Cb 0.52 0.55 -0.11 0.00 -0.00 0.00 0.00 29.99 30.96 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 -2.00 5.28 1.09 3.57 1.01 -1.17 -5.08 120.40 123.11 1ccq s VAL 32 Ca 0.00 -0.17 -0.18 0.00 0.00 0.00 0.00 61.98 61.63 1ccq s VAL 32 Cb 0.00 -3.71 0.25 0.00 0.00 0.00 0.00 36.38 32.92 1ccq s VAL 32 CO 0.00 0.01 1.22 -2.16 0.00 0.00 0.00 175.10 174.17 1ccq s PRO 33 N 1.74 -0.35 0.00 2.72 0.04 -1.26 -4.74 135.00 133.15 1ccq s PRO 33 Ca 0.06 -0.27 0.00 0.00 0.04 0.00 0.00 61.00 60.83 1ccq s PRO 33 Cb -0.17 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.65 1ccq s PRO 33 CO 0.11 -3.10 0.00 0.28 0.04 0.00 0.00 177.00 174.33 1ccq n VAL 34 N -4.28 0.00 -4.06 -0.36 0.31 -0.71 -5.00 118.33 104.24 1ccq n VAL 34 Ca 0.15 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.37 1ccq n VAL 34 Cb 0.59 -1.23 -0.11 0.00 -0.91 0.00 0.00 33.84 32.18 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 0.53 -0.28 5.55 1.02 -1.03 -5.03 119.74 118.50 1ccq s LYS 35 Ca 0.00 -0.85 -0.13 0.00 0.02 0.00 0.00 55.97 55.01 1ccq s LYS 35 Cb 0.00 -0.12 0.10 0.00 -0.52 0.00 0.00 37.83 37.29 1ccq s LYS 35 CO 0.00 -0.00 0.65 1.03 -0.92 0.00 0.00 175.35 176.11 1ccq s ARG 36 N -2.12 0.63 0.00 1.68 0.52 -1.26 -2.03 118.95 116.36 1ccq s ARG 36 Ca -0.07 1.31 0.00 0.00 -0.52 0.00 0.00 55.73 56.46 1ccq s ARG 36 Cb -0.06 0.48 0.00 0.00 0.52 0.00 0.00 34.95 35.89 1ccq s ARG 36 CO -0.02 -0.18 0.00 0.41 0.02 0.00 0.00 175.30 175.54 1ccq n GLY 37 N 4.87 2.64 3.96 -3.53 0.00 -0.96 -4.44 105.19 107.73 1ccq n GLY 37 Ca -0.16 -0.77 -0.22 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.52 0.00 -0.19 0.00 2.07 -0.58 -4.71 121.20 115.27 1ccq s ILE 39 Ca 0.49 0.00 -0.15 0.00 -1.41 0.00 0.00 60.65 59.58 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 0.37 0.00 -0.17 -0.67 -1.91 0.00 0.00 174.94 172.55 1ccq n ASP 40 N 0.38 1.88 -4.52 4.50 2.03 -1.26 -2.07 116.55 117.50 1ccq n ASP 40 Ca -0.13 0.46 -0.34 0.00 0.52 0.00 0.00 54.79 55.30 1ccq n ASP 40 Cb 0.60 -0.85 -0.12 0.00 -0.72 0.00 0.00 41.12 40.03 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 -2.49 3.68 -0.19 5.18 0.11 -1.26 -4.66 120.40 120.76 1ccq s VAL 41 Ca -0.26 -0.46 -0.29 0.00 -2.93 0.00 0.00 61.98 58.04 1ccq s VAL 41 Cb 0.06 -2.55 0.00 0.00 -1.53 0.00 0.00 36.38 32.36 1ccq s VAL 41 CO 0.40 0.55 1.06 0.00 -3.33 0.00 0.00 175.10 173.78 1ccq s PRO 43 N 2.93 0.36 0.75 0.00 0.04 -1.26 -5.06 135.00 132.75 1ccq s PRO 43 Ca 0.47 -0.01 -0.08 0.00 0.04 0.00 0.00 61.00 61.42 1ccq s PRO 43 Cb -0.17 -1.78 0.08 0.00 0.04 0.00 0.00 34.50 32.68 1ccq s PRO 43 CO 0.10 -2.67 1.07 0.21 0.04 0.00 0.00 177.00 175.75 1ccq s LYS 44 N -5.49 2.00 0.27 4.56 2.20 -1.26 -4.95 119.74 117.07 1ccq s LYS 44 Ca 0.69 -0.23 0.08 0.00 -0.36 0.00 0.00 55.97 56.15 1ccq s LYS 44 Cb -0.10 -2.11 -0.04 0.00 -1.51 0.00 0.00 37.83 34.07 1ccq s LYS 44 CO 0.54 -1.42 0.12 -1.12 -0.36 0.00 0.00 175.35 173.11 1ccq s SER 45 N -4.57 5.04 0.28 1.43 0.01 -1.26 -4.60 113.70 110.03 1ccq s SER 45 Ca 0.62 -0.47 0.02 0.00 1.31 0.00 0.00 55.95 57.42 1ccq s SER 45 Cb -0.10 -1.09 -0.01 0.00 0.21 0.00 0.00 66.02 65.04 1ccq s SER 45 CO 0.46 -0.07 0.06 -1.54 0.41 0.00 0.00 173.24 172.56 1ccq n SER 46 N -1.08 1.69 0.12 2.44 3.41 -0.70 -5.01 113.62 114.50 1ccq n SER 46 Ca -0.06 -2.40 0.07 0.00 -0.26 0.00 0.00 58.87 56.22 1ccq n SER 46 Cb 0.59 0.52 0.03 0.00 -0.26 0.00 0.00 64.21 65.09 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 -3.39 115.31 114.31 1ccq h LEU 47 Ca -0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1ccq h LEU 47 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1ccq h LEU 47 CO 0.36 0.25 -0.29 -0.11 0.09 0.00 0.00 178.44 178.74 1ccq n LEU 48 N -2.96 1.04 -4.93 1.67 7.94 -1.26 -4.80 117.00 113.70 1ccq n LEU 48 Ca -0.01 0.48 -0.28 0.00 -1.11 0.00 0.00 56.01 55.09 1ccq n LEU 48 Cb 0.65 -0.72 -0.03 0.00 0.53 0.00 0.00 43.42 43.85 1ccq n LEU 48 CO 0.39 -0.49 -0.01 -0.69 -1.11 0.00 0.00 177.39 175.49 1ccq s VAL 49 N -1.71 5.23 -0.17 1.96 1.01 -1.26 -2.65 120.40 122.81 1ccq s VAL 49 Ca -0.08 -0.36 -0.01 0.00 0.00 0.00 0.00 61.98 61.53 1ccq s VAL 49 Cb 0.01 -3.71 0.04 0.00 0.00 0.00 0.00 36.38 32.72 1ccq s VAL 49 CO 0.12 -0.11 -0.04 -0.54 0.00 0.00 0.00 175.10 174.54 1ccq s LYS 50 N -3.15 1.34 -0.34 2.72 -0.14 -0.63 -1.72 119.74 117.82 1ccq s LYS 50 Ca 0.38 -0.52 -0.11 0.00 -1.36 0.00 0.00 55.97 54.36 1ccq s LYS 50 Cb -0.11 -2.03 -0.00 0.00 -1.68 0.00 0.00 37.83 34.01 1ccq s LYS 50 CO 0.28 -0.46 0.19 0.71 -0.76 0.00 0.00 175.35 175.31 1ccq s TYR 51 N 1.65 3.20 -0.17 3.18 2.02 -1.26 -2.39 117.35 123.58 1ccq s TYR 51 Ca 0.00 -0.58 -0.01 0.00 -0.37 0.00 0.00 57.07 56.12 1ccq s TYR 51 Cb -0.16 -2.41 -0.00 0.00 -0.40 0.00 0.00 41.96 38.99 1ccq s TYR 51 CO -0.07 -0.48 -0.13 0.08 -1.57 0.00 0.00 175.55 173.38 1ccq s VAL 52 N 1.63 2.84 0.26 0.71 1.01 -0.96 -4.73 120.40 121.15 1ccq s VAL 52 Ca 0.04 -0.70 0.09 0.00 0.00 0.00 0.00 61.98 61.41 1ccq s VAL 52 Cb -0.18 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 1ccq s VAL 52 CO 0.07 0.49 0.07 0.00 0.00 0.00 0.00 175.10 175.74 1ccq n ASN 55 N 2.10 7.38 -4.05 0.00 6.94 -1.26 -2.24 115.26 124.13 1ccq n ASN 55 Ca -0.17 -3.82 -0.11 0.00 -0.02 0.00 0.00 54.58 50.46 1ccq n ASN 55 Cb 0.57 -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 -5.01 0.39 0.55 5.53 -4.23 -1.26 -5.07 115.64 106.54 1ccq s THR 56 Ca 0.56 -1.15 -0.19 0.00 -1.18 0.00 0.00 61.69 59.73 1ccq s THR 56 Cb 0.46 -0.65 -0.05 0.00 1.34 0.00 0.00 72.50 73.59 1ccq s THR 56 CO -0.27 -0.51 1.10 -1.81 -0.54 0.00 0.00 174.62 172.60 1ccq s ASP 57 N -1.76 5.76 -1.65 3.99 1.11 -1.26 -3.22 116.67 119.63 1ccq s ASP 57 Ca -0.09 2.08 -0.07 0.00 0.18 0.00 0.00 52.55 54.65 1ccq s ASP 57 Cb -0.07 -2.57 0.07 0.00 1.07 0.00 0.00 42.92 41.42 1ccq s ASP 57 CO -0.01 -1.19 0.19 1.17 1.18 0.00 0.00 175.17 176.50 1ccq n LYS 58 N -1.45 -0.91 -0.14 8.23 4.81 -1.09 -4.80 118.16 122.82 1ccq n LYS 58 Ca 0.11 0.11 -0.27 0.00 -0.87 0.00 0.00 58.31 57.39 1ccq n LYS 58 Cb 0.52 -3.93 -0.11 0.00 0.02 0.00 0.00 35.03 31.52 1ccq n LYS 58 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57