#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 3.42 0.09 3.23 2.20 -1.26 -1.90 119.74 125.52 1ccq s LYS 2 Ca 0.00 -0.64 0.10 0.00 -0.36 0.00 0.00 55.97 55.07 1ccq s LYS 2 Cb 0.00 -2.83 -0.04 0.00 -1.51 0.00 0.00 37.83 33.45 1ccq s LYS 2 CO 0.00 0.04 -0.25 0.00 -0.36 0.00 0.00 175.35 174.78 1ccq s LYS 4 N -1.72 3.44 0.46 0.00 1.02 -1.26 -2.09 119.74 119.59 1ccq s LYS 4 Ca 0.14 -0.56 0.02 0.00 0.02 0.00 0.00 55.97 55.59 1ccq s LYS 4 Cb -0.10 -2.97 0.02 0.00 -0.52 0.00 0.00 37.83 34.26 1ccq s LYS 4 CO 0.05 0.53 0.17 1.63 -0.92 0.00 0.00 175.35 176.81 1ccq n LYS 5 N -0.41 0.86 -3.32 1.68 4.76 -1.02 -4.23 118.16 116.48 1ccq n LYS 5 Ca -0.07 -3.12 -0.36 0.00 -2.87 0.00 0.00 58.31 51.90 1ccq n LYS 5 Cb 0.53 0.60 -0.06 0.00 -1.84 0.00 0.00 35.03 34.27 1ccq n LYS 5 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1ccq s LEU 6 N 0.00 4.37 0.77 -0.35 1.02 -1.25 -4.67 118.68 118.57 1ccq s LEU 6 Ca 0.13 1.14 -0.15 0.00 0.02 0.00 0.00 54.13 55.26 1ccq s LEU 6 Cb -0.01 -3.22 -0.02 0.00 0.02 0.00 0.00 46.19 42.96 1ccq s LEU 6 CO 0.08 0.13 0.54 0.52 0.02 0.00 0.00 176.35 177.65 1ccq n VAL 7 N 0.98 1.51 1.49 -1.59 0.31 -1.26 -0.74 118.33 119.03 1ccq n VAL 7 Ca -0.06 -0.35 0.12 0.00 -0.01 0.00 0.00 64.34 64.03 1ccq n VAL 7 Cb 0.52 -0.74 0.71 0.00 -0.91 0.00 0.00 33.84 33.41 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 -1.02 0.74 -1.79 5.55 -0.04 -1.26 -5.03 135.00 132.16 1ccq n PRO 8 Ca 0.10 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.14 1ccq n PRO 8 Cb 0.51 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.44 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 -2.01 4.39 0.00 1.53 0.20 0.08 -4.98 118.68 117.89 1ccq s LEU 9 Ca 0.36 2.65 0.00 0.00 0.69 0.00 0.00 54.13 57.82 1ccq s LEU 9 Cb 0.16 -3.56 0.00 0.00 -0.43 0.00 0.00 46.19 42.36 1ccq s LEU 9 CO 0.28 -0.97 0.00 0.33 -0.29 0.00 0.00 176.35 175.70 1ccq n PHE 10 N 5.90 0.00 -2.87 5.38 7.35 -1.26 -3.81 117.46 128.15 1ccq n PHE 10 Ca 0.17 0.00 -0.36 0.00 -0.76 0.00 0.00 57.45 56.50 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 7.21 -0.14 -2.13 1.04 -1.26 -2.42 113.70 114.99 1ccq s SER 11 Ca 0.00 1.71 -0.16 0.00 0.48 0.00 0.00 55.95 57.98 1ccq s SER 11 Cb 0.00 -2.53 0.04 0.00 0.10 0.00 0.00 66.02 63.63 1ccq s SER 11 CO 0.00 -0.09 0.44 -0.75 0.98 0.00 0.00 173.24 173.82 1ccq s LYS 12 N -2.22 0.57 -0.13 4.02 2.47 -0.89 -4.96 119.74 118.61 1ccq s LYS 12 Ca 0.50 0.47 -0.29 0.00 -1.56 0.00 0.00 55.97 55.10 1ccq s LYS 12 Cb -0.17 0.27 -0.01 0.00 -1.46 0.00 0.00 37.83 36.47 1ccq s LYS 12 CO 0.21 -0.10 0.98 0.99 0.16 0.00 0.00 175.35 177.60 1ccq s THR 13 N -0.09 4.79 -0.26 3.43 2.01 -1.26 -1.98 115.64 122.29 1ccq s THR 13 Ca -0.03 1.97 -0.38 0.00 0.31 0.00 0.00 61.69 63.56 1ccq s THR 13 Cb -0.03 -4.28 -0.14 0.00 0.01 0.00 0.00 72.50 68.06 1ccq s THR 13 CO 0.02 -0.00 1.87 0.00 -0.69 0.00 0.00 174.62 175.82 1ccq s PRO 15 N 4.26 2.09 0.04 0.00 0.04 -1.26 -4.82 135.00 135.34 1ccq s PRO 15 Ca 1.00 0.64 -0.38 0.00 0.04 0.00 0.00 61.00 62.30 1ccq s PRO 15 Cb -0.96 -1.92 -0.19 0.00 0.04 0.00 0.00 34.50 31.48 1ccq s PRO 15 CO 0.60 -1.62 1.08 0.00 0.04 0.00 0.00 177.00 177.10 1ccq n ALA 16 N -3.43 -3.00 0.00 8.56 0.00 -1.26 -1.60 120.51 119.77 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 0.56 -1.82 0.00 0.00 0.00 0.00 0.00 19.45 18.20 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 3.20 3.66 0.00 0.00 -1.26 -5.05 105.19 107.48 1ccq n GLY 17 Ca 0.19 -1.04 -0.35 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 3.79 0.00 1.61 -0.14 -0.63 -4.28 119.74 120.10 1ccq s LYS 18 Ca 0.00 -0.33 0.00 0.00 -1.36 0.00 0.00 55.97 54.28 1ccq s LYS 18 Cb 0.00 -3.15 0.00 0.00 -1.68 0.00 0.00 37.83 33.00 1ccq s LYS 18 CO 0.00 0.38 0.64 0.09 -0.76 0.00 0.00 175.35 175.70 1ccq n ASN 19 N 3.20 0.59 -4.12 2.83 3.02 -0.98 -4.49 115.26 115.31 1ccq n ASN 19 Ca -0.17 -1.29 -0.09 0.00 -0.03 0.00 0.00 54.58 52.99 1ccq n ASN 19 Cb 0.53 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.60 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 -0.29 2.48 -0.14 3.41 1.43 -0.92 -4.89 118.68 119.76 1ccq s LEU 20 Ca 0.00 -0.97 -0.01 0.00 -1.03 0.00 0.00 54.13 52.11 1ccq s LEU 20 Cb 0.00 0.06 -0.02 0.00 0.03 0.00 0.00 46.19 46.26 1ccq s LEU 20 CO 0.00 -0.51 -0.10 0.00 0.23 0.00 0.00 176.35 175.97 1ccq s TYR 22 N 0.41 2.91 -0.18 0.00 -0.85 -0.71 -2.00 117.35 116.93 1ccq s TYR 22 Ca -0.08 -0.00 -0.05 0.00 -0.52 0.00 0.00 57.07 56.42 1ccq s TYR 22 Cb -0.15 -1.69 0.07 0.00 0.38 0.00 0.00 41.96 40.56 1ccq s TYR 22 CO 0.04 0.33 0.11 -1.59 -1.52 0.00 0.00 175.55 172.92 1ccq s LYS 23 N -0.88 0.08 -0.11 -3.49 -2.85 -0.91 -2.30 119.74 109.28 1ccq s LYS 23 Ca 0.13 -0.05 -0.06 0.00 -1.00 0.00 0.00 55.97 54.99 1ccq s LYS 23 Cb -0.11 -1.72 -0.04 0.00 -2.06 0.00 0.00 37.83 33.90 1ccq s LYS 23 CO 0.02 -0.68 0.11 1.41 0.10 0.00 0.00 175.35 176.31 1ccq s MET 24 N 2.17 3.35 0.13 1.78 1.75 -0.59 -2.48 119.30 125.41 1ccq s MET 24 Ca 0.03 -0.20 -0.01 0.00 -1.25 0.00 0.00 55.69 54.27 1ccq s MET 24 Cb -0.16 -3.10 -0.04 0.00 2.84 0.00 0.00 34.83 34.37 1ccq s MET 24 CO -0.10 0.75 0.04 -0.59 -0.65 0.00 0.00 175.02 174.48 1ccq s PHE 25 N -0.97 0.91 -0.06 4.11 -0.12 -0.97 -1.69 117.98 119.19 1ccq s PHE 25 Ca 0.14 -1.19 -0.20 0.00 -0.05 0.00 0.00 56.93 55.63 1ccq s PHE 25 Cb -0.12 -0.51 -0.05 0.00 -0.63 0.00 0.00 43.02 41.71 1ccq s PHE 25 CO 0.03 -0.46 0.56 -1.64 -0.05 0.00 0.00 175.22 173.66 1ccq s MET 26 N -4.02 4.33 -0.71 1.99 -1.94 -1.26 -1.90 119.30 115.78 1ccq s MET 26 Ca 0.23 0.63 -0.25 0.00 -1.71 0.00 0.00 55.69 54.59 1ccq s MET 26 Cb 0.07 -3.39 -0.21 0.00 2.01 0.00 0.00 34.83 33.31 1ccq s MET 26 CO 0.02 0.24 1.87 0.28 -0.01 0.00 0.00 175.02 177.41 1ccq n VAL 27 N 3.27 1.11 0.00 -6.03 0.31 -1.06 -2.25 118.33 113.69 1ccq n VAL 27 Ca -0.06 -1.05 0.00 0.00 -0.01 0.00 0.00 64.34 63.22 1ccq n VAL 27 Cb 0.51 -2.16 0.00 0.00 -0.91 0.00 0.00 33.84 31.29 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 11.28 0.00 -3.86 3.52 0.00 -1.26 -5.03 120.51 125.16 1ccq n ALA 28 Ca 0.47 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.62 1ccq n ALA 28 Cb 0.43 0.00 -0.12 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 -1.36 3.49 -0.95 0.00 0.00 -0.95 -4.97 120.51 115.76 1ccq n ALA 29 Ca 0.00 -4.56 -0.26 0.00 0.00 0.00 0.00 53.44 48.62 1ccq n ALA 29 Cb 0.00 -1.05 -0.04 0.00 0.00 0.00 0.00 19.45 18.36 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 1.89 2.58 0.00 0.00 -0.04 -1.26 -2.95 135.00 135.22 1ccq n PRO 30 Ca 0.21 -1.61 0.00 0.00 -0.04 0.00 0.00 63.50 62.05 1ccq n PRO 30 Cb 0.35 -2.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.33 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 3.73 -1.38 -3.97 0.54 -0.00 -1.26 -5.10 115.22 107.79 1ccq n HIS 31 Ca 0.55 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.92 1ccq n HIS 31 Cb 0.25 0.39 -0.11 0.00 -0.00 0.00 0.00 29.99 30.53 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 -1.78 4.65 0.81 3.57 1.01 -1.15 -5.10 120.40 122.41 1ccq s VAL 32 Ca 0.00 -0.08 -0.14 0.00 0.00 0.00 0.00 61.98 61.77 1ccq s VAL 32 Cb 0.00 -3.12 0.19 0.00 0.00 0.00 0.00 36.38 33.46 1ccq s VAL 32 CO 0.00 0.43 0.89 -0.81 0.00 0.00 0.00 175.10 175.61 1ccq n PRO 33 N 3.89 -1.75 0.00 2.72 -0.04 -1.26 -4.71 135.00 133.84 1ccq n PRO 33 Ca -0.16 -1.40 0.00 0.00 -0.04 0.00 0.00 63.50 61.90 1ccq n PRO 33 Cb 0.52 -1.10 0.00 0.00 -0.04 0.00 0.00 33.50 32.88 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 -3.78 0.00 -4.31 0.52 0.31 -0.68 -4.94 118.33 105.45 1ccq n VAL 34 Ca 0.12 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.26 1ccq n VAL 34 Cb 0.43 -1.03 -0.15 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 -1.96 0.78 -0.08 5.55 1.02 -0.95 -5.03 119.74 119.07 1ccq s LYS 35 Ca 0.00 -0.26 -0.03 0.00 0.02 0.00 0.00 55.97 55.70 1ccq s LYS 35 Cb 0.00 -0.75 0.05 0.00 -0.52 0.00 0.00 37.83 36.61 1ccq s LYS 35 CO 0.00 0.11 0.13 1.03 -0.92 0.00 0.00 175.35 175.70 1ccq s ARG 36 N 0.13 0.01 0.00 1.68 0.52 -1.26 -1.54 118.95 118.49 1ccq s ARG 36 Ca -0.02 0.46 0.00 0.00 -0.52 0.00 0.00 55.73 55.65 1ccq s ARG 36 Cb -0.07 -0.47 0.00 0.00 0.52 0.00 0.00 34.95 34.93 1ccq s ARG 36 CO 0.00 -0.35 0.00 0.41 0.02 0.00 0.00 175.30 175.38 1ccq n GLY 37 N 5.32 3.02 3.98 -3.53 0.00 -0.97 -3.99 105.19 109.01 1ccq n GLY 37 Ca -0.04 -1.04 -0.20 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.59 0.00 -0.18 0.00 2.07 -0.66 -4.68 121.20 115.16 1ccq s ILE 39 Ca 0.54 0.00 -0.10 0.00 -1.41 0.00 0.00 60.65 59.68 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 0.37 0.00 -0.25 -0.67 -1.91 0.00 0.00 174.94 172.48 1ccq n ASP 40 N -0.21 1.39 -4.42 4.50 2.03 -1.26 -2.17 116.55 116.41 1ccq n ASP 40 Ca -0.10 0.24 -0.34 0.00 0.52 0.00 0.00 54.79 55.11 1ccq n ASP 40 Cb 0.62 -0.57 -0.13 0.00 -0.72 0.00 0.00 41.12 40.32 1ccq n ASP 40 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1ccq s VAL 41 N -2.39 3.70 -0.25 5.18 -7.23 -1.26 -4.74 120.40 113.40 1ccq s VAL 41 Ca -0.26 -0.41 -0.29 0.00 -1.81 0.00 0.00 61.98 59.21 1ccq s VAL 41 Cb 0.09 -2.65 -0.01 0.00 0.56 0.00 0.00 36.38 34.38 1ccq s VAL 41 CO 0.33 0.46 1.36 0.00 -0.31 0.00 0.00 175.10 176.93 1ccq s PRO 43 N 4.10 0.46 0.53 0.00 0.04 -1.26 -5.05 135.00 133.82 1ccq s PRO 43 Ca 0.59 0.03 -0.06 0.00 0.04 0.00 0.00 61.00 61.60 1ccq s PRO 43 Cb -0.20 -1.78 -0.03 0.00 0.04 0.00 0.00 34.50 32.53 1ccq s PRO 43 CO 0.22 -2.61 0.85 0.21 0.04 0.00 0.00 177.00 175.72 1ccq s LYS 44 N -5.46 3.42 0.39 4.56 2.20 -1.26 -4.94 119.74 118.65 1ccq s LYS 44 Ca 0.68 0.26 -0.01 0.00 -0.36 0.00 0.00 55.97 56.54 1ccq s LYS 44 Cb -0.11 -2.30 -0.03 0.00 -1.51 0.00 0.00 37.83 33.88 1ccq s LYS 44 CO 0.54 -0.37 0.62 -1.12 -0.36 0.00 0.00 175.35 174.65 1ccq s SER 45 N -4.16 6.24 0.49 1.43 0.01 -1.26 -4.71 113.70 111.74 1ccq s SER 45 Ca 0.50 0.55 0.02 0.00 1.31 0.00 0.00 55.95 58.33 1ccq s SER 45 Cb -0.10 -2.03 -0.01 0.00 0.21 0.00 0.00 66.02 64.08 1ccq s SER 45 CO 0.47 -0.41 0.04 -0.94 0.41 0.00 0.00 173.24 172.81 1ccq s SER 46 N -4.07 3.78 0.06 2.44 1.04 -0.94 -5.01 113.70 110.99 1ccq s SER 46 Ca 0.43 -1.70 0.26 0.00 0.48 0.00 0.00 55.95 55.42 1ccq s SER 46 Cb -0.10 0.62 0.69 0.00 0.10 0.00 0.00 66.02 67.33 1ccq s SER 46 CO 0.38 -0.92 1.57 0.18 0.98 0.00 0.00 173.24 175.43 1ccq n LEU 47 N -1.19 0.46 -0.06 2.42 4.77 -1.26 -4.22 117.00 117.92 1ccq n LEU 47 Ca -0.16 0.26 -0.05 0.00 -0.03 0.00 0.00 56.01 56.03 1ccq n LEU 47 Cb 0.66 -0.31 -0.02 0.00 -2.33 0.00 0.00 43.42 41.43 1ccq n LEU 47 CO 0.36 0.01 -0.37 -0.11 -1.33 0.00 0.00 177.39 175.95 1ccq n LEU 48 N -1.75 1.27 -4.88 2.23 0.00 -1.26 -4.90 117.00 107.71 1ccq n LEU 48 Ca 0.05 0.34 -0.21 0.00 0.00 0.00 0.00 56.01 56.19 1ccq n LEU 48 Cb 0.37 -0.70 -0.03 0.00 0.00 0.00 0.00 43.42 43.07 1ccq n LEU 48 CO 0.33 -0.40 -0.04 0.68 0.00 0.00 0.00 177.39 177.96 1ccq s VAL 49 N -2.11 3.31 -0.13 1.96 -7.23 -1.26 -2.57 120.40 112.38 1ccq s VAL 49 Ca -0.16 -1.32 -0.01 0.00 -1.81 0.00 0.00 61.98 58.68 1ccq s VAL 49 Cb 0.02 -3.14 0.04 0.00 0.56 0.00 0.00 36.38 33.86 1ccq s VAL 49 CO 0.23 -0.12 -0.02 -0.75 -0.31 0.00 0.00 175.10 174.13 1ccq s LYS 50 N -4.06 1.02 -0.46 4.82 2.47 -0.80 -2.22 119.74 120.52 1ccq s LYS 50 Ca 0.44 -0.23 -0.12 0.00 -1.56 0.00 0.00 55.97 54.49 1ccq s LYS 50 Cb -0.06 -1.59 0.09 0.00 -1.46 0.00 0.00 37.83 34.81 1ccq s LYS 50 CO 0.27 -0.39 0.35 0.71 0.16 0.00 0.00 175.35 176.45 1ccq s TYR 51 N 1.81 3.30 -0.21 4.03 2.02 -1.26 -2.30 117.35 124.74 1ccq s TYR 51 Ca 0.03 -1.32 -0.06 0.00 -0.37 0.00 0.00 57.07 55.34 1ccq s TYR 51 Cb -0.14 -3.21 -0.03 0.00 -0.40 0.00 0.00 41.96 38.18 1ccq s TYR 51 CO -0.07 -0.87 0.04 0.08 -1.57 0.00 0.00 175.55 173.16 1ccq s VAL 52 N 1.52 4.26 0.28 0.71 1.01 -1.03 -4.70 120.40 122.44 1ccq s VAL 52 Ca 0.04 -0.21 0.07 0.00 0.00 0.00 0.00 61.98 61.88 1ccq s VAL 52 Cb -0.25 -2.95 -0.03 0.00 0.00 0.00 0.00 36.38 33.16 1ccq s VAL 52 CO 0.04 0.40 0.26 0.00 0.00 0.00 0.00 175.10 175.80 1ccq n ASN 55 N 1.30 6.22 -3.95 0.00 0.23 -1.26 -2.21 115.26 115.58 1ccq n ASN 55 Ca -0.20 -3.77 -0.09 0.00 -0.53 0.00 0.00 54.58 49.99 1ccq n ASN 55 Cb 0.56 -0.81 -0.10 0.00 -2.08 0.00 0.00 39.78 37.35 1ccq n ASN 55 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 1ccq s THR 56 N -5.16 0.11 0.55 5.53 -4.23 -1.26 -5.06 115.64 106.12 1ccq s THR 56 Ca 0.49 -0.93 -0.20 0.00 -1.18 0.00 0.00 61.69 59.88 1ccq s THR 56 Cb 0.39 -0.44 -0.05 0.00 1.34 0.00 0.00 72.50 73.74 1ccq s THR 56 CO -0.29 -0.51 1.16 -1.81 -0.54 0.00 0.00 174.62 172.64 1ccq s ASP 57 N -1.60 5.56 -1.60 3.99 1.01 -1.26 -3.02 116.67 119.76 1ccq s ASP 57 Ca -0.13 2.27 -0.04 0.00 0.71 0.00 0.00 52.55 55.37 1ccq s ASP 57 Cb -0.07 -2.59 0.04 0.00 1.01 0.00 0.00 42.92 41.30 1ccq s ASP 57 CO -0.01 -1.33 0.10 1.17 0.21 0.00 0.00 175.17 175.30 1ccq n LYS 58 N -1.34 -0.97 -0.14 8.23 4.81 -1.04 -4.81 118.16 122.92 1ccq n LYS 58 Ca 0.12 0.10 -0.27 0.00 -0.87 0.00 0.00 58.31 57.39 1ccq n LYS 58 Cb 0.50 -3.77 -0.10 0.00 0.02 0.00 0.00 35.03 31.68 1ccq n LYS 58 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57