#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i02 s LYS 2 N 0.00 0.27 0.23 1.47 1.02 -1.26 -2.85 119.74 118.62 1i02 s LYS 2 Ca 0.00 0.78 -0.09 0.00 0.02 0.00 0.00 55.97 56.68 1i02 s LYS 2 Cb 0.00 0.03 -0.07 0.00 -0.52 0.00 0.00 37.83 37.27 1i02 s LYS 2 CO 0.00 -0.21 0.54 0.00 -0.92 0.00 0.00 175.35 174.76 1i02 n ASN 4 N -0.20 -2.31 -4.64 0.00 4.13 -1.26 0.82 115.26 111.80 1i02 n ASN 4 Ca 0.00 0.01 -0.23 0.00 1.68 0.00 0.00 54.58 56.04 1i02 n ASN 4 Cb 0.52 -1.03 -0.07 0.00 -1.54 0.00 0.00 39.78 37.66 1i02 n ASN 4 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 1i02 s LYS 5 N -3.50 2.25 0.15 3.52 0.00 0.18 -3.93 119.74 118.42 1i02 s LYS 5 Ca 0.56 -1.47 -0.04 0.00 0.00 0.00 0.00 55.97 55.02 1i02 s LYS 5 Cb -0.15 -2.13 0.25 0.00 0.00 0.00 0.00 37.83 35.81 1i02 s LYS 5 CO 0.67 0.33 0.84 -0.11 0.00 0.00 0.00 175.35 177.08 1i02 n LEU 6 N -0.90 -0.19 -4.84 2.77 0.00 -1.26 -4.19 117.00 108.39 1i02 n LEU 6 Ca -0.06 0.93 -0.37 0.00 0.00 0.00 0.00 56.01 56.51 1i02 n LEU 6 Cb 0.59 -0.28 -0.06 0.00 0.00 0.00 0.00 43.42 43.67 1i02 n LEU 6 CO 0.41 -0.89 0.14 -0.69 0.00 0.00 0.00 177.39 176.36 1i02 s VAL 7 N -5.67 4.97 -0.41 1.96 1.01 -1.26 -4.94 120.40 116.06 1i02 s VAL 7 Ca -0.08 0.85 -0.03 0.00 0.00 0.00 0.00 61.98 62.72 1i02 s VAL 7 Cb 0.15 -3.74 -0.05 0.00 0.00 0.00 0.00 36.38 32.74 1i02 s VAL 7 CO 0.42 0.50 1.66 -2.65 0.00 0.00 0.00 175.10 175.03 1i02 n PRO 8 N 1.56 1.13 0.00 2.72 -0.02 -1.26 -2.93 135.00 136.20 1i02 n PRO 8 Ca -0.12 -0.89 0.00 0.00 -2.02 0.00 0.00 63.50 60.48 1i02 n PRO 8 Cb 0.52 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 1i02 n PRO 8 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1i02 n LEU 9 N 4.04 0.00 -4.71 2.45 4.77 -1.26 -5.12 117.00 117.16 1i02 n LEU 9 Ca 0.24 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.93 1i02 n LEU 9 Cb 0.15 0.16 -0.08 0.00 -2.33 0.00 0.00 43.42 41.31 1i02 n LEU 9 CO 0.51 -0.37 -0.23 0.72 -1.33 0.00 0.00 177.39 176.69 1i02 s PHE 10 N -1.75 2.23 0.27 -1.77 -0.71 -1.15 -5.01 117.98 110.09 1i02 s PHE 10 Ca 0.00 -0.77 0.01 0.00 -1.04 0.00 0.00 56.93 55.13 1i02 s PHE 10 Cb 0.00 -1.76 -0.03 0.00 -1.21 0.00 0.00 43.02 40.02 1i02 s PHE 10 CO 0.00 0.25 0.25 1.52 -1.34 0.00 0.00 175.22 175.90 1i02 s TYR 11 N -2.76 1.31 0.41 3.49 1.13 -1.26 0.50 117.35 120.17 1i02 s TYR 11 Ca 0.26 -1.43 0.07 0.00 -1.41 0.00 0.00 57.07 54.56 1i02 s TYR 11 Cb 0.05 -0.51 -0.07 0.00 -1.10 0.00 0.00 41.96 40.33 1i02 s TYR 11 CO 0.14 -0.81 0.03 0.21 -2.51 0.00 0.00 175.55 172.61 1i02 s LYS 12 N -3.77 2.00 -0.04 -3.49 2.20 0.24 -4.68 119.74 112.21 1i02 s LYS 12 Ca 0.37 -2.08 -0.02 0.00 -0.36 0.00 0.00 55.97 53.89 1i02 s LYS 12 Cb 0.04 -1.68 -0.04 0.00 -1.51 0.00 0.00 37.83 34.64 1i02 s LYS 12 CO 0.18 -0.07 0.08 0.99 -0.36 0.00 0.00 175.35 176.18 1i02 s THR 13 N -2.70 4.82 -0.38 3.43 2.01 -1.26 -0.56 115.64 121.00 1i02 s THR 13 Ca 0.35 -0.27 -0.15 0.00 0.31 0.00 0.00 61.69 61.93 1i02 s THR 13 Cb 0.09 -3.16 0.01 0.00 0.01 0.00 0.00 72.50 69.44 1i02 s THR 13 CO 0.18 0.43 0.32 0.00 -0.69 0.00 0.00 174.62 174.86 1i02 n PRO 15 N 5.26 -2.62 -1.63 0.00 -0.01 -1.26 -4.52 135.00 130.22 1i02 n PRO 15 Ca -0.10 -0.75 -0.44 0.00 -0.01 0.00 0.00 63.50 62.19 1i02 n PRO 15 Cb 0.48 -1.90 -0.02 0.00 -0.01 0.00 0.00 33.50 32.05 1i02 n PRO 15 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1i02 n ALA 16 N -4.92 0.32 0.00 3.55 0.00 -1.26 -1.09 120.51 117.10 1i02 n ALA 16 Ca 0.03 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1i02 n ALA 16 Cb 0.56 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.89 1i02 n ALA 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i02 n GLY 17 N 1.32 2.49 3.30 0.00 0.00 -1.26 -4.99 105.19 106.05 1i02 n GLY 17 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 1i02 n GLY 17 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1i02 s LYS 18 N -0.31 3.02 0.00 1.61 2.20 -0.25 -4.56 119.74 121.44 1i02 s LYS 18 Ca 0.00 -0.89 0.00 0.00 -0.36 0.00 0.00 55.97 54.72 1i02 s LYS 18 Cb 0.00 -3.26 0.00 0.00 -1.51 0.00 0.00 37.83 33.06 1i02 s LYS 18 CO 0.00 -0.43 0.47 -1.71 -0.36 0.00 0.00 175.35 173.32 1i02 n ASN 19 N 4.81 0.83 -4.97 1.43 2.85 -1.22 -4.42 115.26 114.56 1i02 n ASN 19 Ca -0.15 -1.19 -0.21 0.00 -0.11 0.00 0.00 54.58 52.92 1i02 n ASN 19 Cb 0.48 0.00 0.01 0.00 1.24 0.00 0.00 39.78 41.50 1i02 n ASN 19 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 1i02 s LEU 20 N -0.19 3.74 -0.23 1.20 0.20 -0.37 -2.41 118.68 120.63 1i02 s LEU 20 Ca 0.00 0.09 0.00 0.00 0.69 0.00 0.00 54.13 54.91 1i02 s LEU 20 Cb 0.00 -2.99 0.06 0.00 -0.43 0.00 0.00 46.19 42.83 1i02 s LEU 20 CO 0.00 -0.63 -0.05 0.00 -0.29 0.00 0.00 176.35 175.38 1i02 s TYR 22 N 1.43 3.39 -0.17 0.00 1.13 0.92 -1.93 117.35 122.12 1i02 s TYR 22 Ca -0.05 0.09 -0.04 0.00 -1.41 0.00 0.00 57.07 55.65 1i02 s TYR 22 Cb -0.19 -1.80 0.08 0.00 -1.10 0.00 0.00 41.96 38.95 1i02 s TYR 22 CO -0.06 0.20 0.19 0.21 -2.51 0.00 0.00 175.55 173.57 1i02 s LYS 23 N -4.17 0.13 0.01 -3.49 2.20 0.49 -1.88 119.74 113.02 1i02 s LYS 23 Ca 0.39 0.26 0.01 0.00 -0.36 0.00 0.00 55.97 56.26 1i02 s LYS 23 Cb -0.09 -1.06 -0.04 0.00 -1.51 0.00 0.00 37.83 35.13 1i02 s LYS 23 CO 0.32 -0.57 0.05 1.41 -0.36 0.00 0.00 175.35 176.20 1i02 s MET 24 N 2.29 2.92 0.17 4.03 -2.45 -1.01 -1.73 119.30 123.53 1i02 s MET 24 Ca 0.05 -0.56 -0.02 0.00 -1.25 0.00 0.00 55.69 53.91 1i02 s MET 24 Cb -0.15 -2.76 0.01 0.00 1.25 0.00 0.00 34.83 33.18 1i02 s MET 24 CO -0.10 0.63 0.25 1.97 1.05 0.00 0.00 175.02 178.82 1i02 n PHE 25 N 1.21 -1.01 -3.06 4.11 -1.74 -0.76 -0.76 117.46 115.44 1i02 n PHE 25 Ca -0.13 -1.09 -0.44 0.00 -0.56 0.00 0.00 57.45 55.23 1i02 n PHE 25 Cb 0.53 0.28 -0.05 0.00 1.52 0.00 0.00 39.48 41.76 1i02 n PHE 25 CO 0.00 0.00 0.00 -1.64 -0.56 0.00 0.00 176.76 174.56 1i02 s MET 26 N -2.34 3.15 0.05 3.97 -1.94 -1.26 -1.59 119.30 119.34 1i02 s MET 26 Ca 0.13 -0.84 0.02 0.00 -1.71 0.00 0.00 55.69 53.29 1i02 s MET 26 Cb -0.01 -4.13 0.15 0.00 2.01 0.00 0.00 34.83 32.85 1i02 s MET 26 CO 0.09 -1.38 0.22 0.28 -0.01 0.00 0.00 175.02 174.23 1i02 n VAL 27 N 5.74 -0.06 -0.30 -6.03 0.31 -1.07 0.14 118.33 117.06 1i02 n VAL 27 Ca -0.05 0.30 0.12 0.00 -0.01 0.00 0.00 64.34 64.70 1i02 n VAL 27 Cb 0.45 -0.46 0.27 0.00 -0.91 0.00 0.00 33.84 33.19 1i02 n VAL 27 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1i02 h ALA 28 N 0.28 1.18 -3.14 3.52 0.00 -1.91 -3.07 119.26 116.13 1i02 h ALA 28 Ca 0.10 0.25 -0.62 0.00 0.00 0.00 0.00 54.91 54.63 1i02 h ALA 28 Cb 0.25 0.38 -0.41 0.00 0.00 0.00 0.00 17.79 18.00 1i02 h ALA 28 CO -0.12 -0.48 -0.65 0.99 0.00 0.00 0.00 179.25 178.99 1i02 s THR 29 N -5.97 2.37 0.21 0.00 2.01 0.38 -4.95 115.64 109.69 1i02 s THR 29 Ca -0.12 -3.52 -0.05 0.00 0.31 0.00 0.00 61.69 58.31 1i02 s THR 29 Cb 0.26 -2.61 0.04 0.00 0.01 0.00 0.00 72.50 70.20 1i02 s THR 29 CO 0.77 -0.92 1.63 1.55 -0.69 0.00 0.00 174.62 176.96 1i02 h PRO 30 N 6.07 0.85 -0.99 4.92 0.14 -1.69 -3.02 132.00 138.27 1i02 h PRO 30 Ca 0.04 -0.32 0.00 0.00 0.14 0.00 0.00 66.00 65.85 1i02 h PRO 30 Cb 0.85 -0.05 0.00 0.00 0.14 0.00 0.00 31.00 31.94 1i02 h PRO 30 CO 0.65 0.96 0.00 1.63 0.14 0.00 0.00 178.00 181.37 1i02 n LYS 31 N -4.13 0.98 -3.12 0.86 5.02 -1.26 -4.03 118.16 112.49 1i02 n LYS 31 Ca 0.01 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.09 1i02 n LYS 31 Cb 0.41 -1.46 -0.04 0.00 -0.02 0.00 0.00 35.03 33.92 1i02 n LYS 31 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1i02 n VAL 32 N 0.04 -0.52 -0.68 -0.18 0.31 -1.14 -5.13 118.33 111.04 1i02 n VAL 32 Ca 0.00 -3.66 -0.31 0.00 -0.01 0.00 0.00 64.34 60.36 1i02 n VAL 32 Cb 0.26 -1.16 0.17 0.00 -0.91 0.00 0.00 33.84 32.20 1i02 n VAL 32 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1i02 n PRO 33 N 1.28 -0.84 -0.01 5.55 -0.01 -1.26 -4.74 135.00 134.97 1i02 n PRO 33 Ca 0.19 -0.20 -0.02 0.00 -0.01 0.00 0.00 63.50 63.47 1i02 n PRO 33 Cb 0.56 -2.09 -0.01 0.00 -0.01 0.00 0.00 33.50 31.95 1i02 n PRO 33 CO 0.00 0.00 0.00 1.33 -0.01 0.00 0.00 175.50 176.82 1i02 n VAL 34 N -4.17 0.16 -4.30 -1.45 0.24 0.06 -4.95 118.33 103.93 1i02 n VAL 34 Ca 0.08 -0.06 -0.23 0.00 -2.04 0.00 0.00 64.34 62.08 1i02 n VAL 34 Cb 0.54 -0.64 -0.12 0.00 -1.47 0.00 0.00 33.84 32.15 1i02 n VAL 34 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1i02 s LYS 35 N -2.05 1.16 -0.10 7.34 2.20 -1.10 -4.91 119.74 122.27 1i02 s LYS 35 Ca -0.03 -1.22 0.00 0.00 -0.36 0.00 0.00 55.97 54.36 1i02 s LYS 35 Cb 0.01 -1.37 0.02 0.00 -1.51 0.00 0.00 37.83 34.98 1i02 s LYS 35 CO 0.07 0.31 -0.09 1.03 -0.36 0.00 0.00 175.35 176.31 1i02 s ARG 36 N -2.11 1.59 0.05 4.03 0.52 -1.26 -2.40 118.95 119.36 1i02 s ARG 36 Ca 0.08 -0.31 -0.00 0.00 -0.52 0.00 0.00 55.73 54.98 1i02 s ARG 36 Cb -0.09 -1.53 0.00 0.00 0.52 0.00 0.00 34.95 33.85 1i02 s ARG 36 CO 0.05 -0.18 0.07 0.41 0.02 0.00 0.00 175.30 175.67 1i02 n GLY 37 N 4.59 2.89 3.69 -3.53 0.00 -0.79 -4.24 105.19 107.80 1i02 n GLY 37 Ca -0.16 -1.37 -0.35 0.00 0.00 0.00 0.00 46.02 44.14 1i02 n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i02 s ILE 39 N 0.26 2.48 -0.04 0.00 1.01 0.64 -4.76 121.20 120.78 1i02 s ILE 39 Ca 0.06 -2.36 0.06 0.00 0.00 0.00 0.00 60.65 58.41 1i02 s ILE 39 Cb -0.12 -2.29 -0.08 0.00 0.01 0.00 0.00 42.46 39.98 1i02 s ILE 39 CO -0.01 -0.37 0.14 -0.90 0.00 0.00 0.00 174.94 173.80 1i02 n ASP 40 N -0.52 3.28 -3.38 3.58 5.68 -1.26 -1.24 116.55 122.69 1i02 n ASP 40 Ca -0.06 -0.08 -0.16 0.00 -0.50 0.00 0.00 54.79 53.99 1i02 n ASP 40 Cb 0.60 1.22 -0.09 0.00 -1.14 0.00 0.00 41.12 41.71 1i02 n ASP 40 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1i02 s VAL 41 N -2.27 -0.42 -0.16 2.12 1.01 -1.26 -4.93 120.40 114.48 1i02 s VAL 41 Ca -0.01 -0.56 -0.28 0.00 0.00 0.00 0.00 61.98 61.12 1i02 s VAL 41 Cb 0.04 -0.93 -0.06 0.00 0.00 0.00 0.00 36.38 35.43 1i02 s VAL 41 CO 0.23 -0.46 2.15 0.00 0.00 0.00 0.00 175.10 177.02 1i02 s PRO 43 N 5.91 0.60 0.51 0.00 0.02 -1.26 -5.05 135.00 135.73 1i02 s PRO 43 Ca 0.97 0.45 -0.01 0.00 0.02 0.00 0.00 61.00 62.43 1i02 s PRO 43 Cb -0.35 -1.76 0.01 0.00 0.02 0.00 0.00 34.50 32.42 1i02 s PRO 43 CO 0.36 -2.60 0.75 -1.59 -0.33 0.00 0.00 177.00 173.59 1i02 s LYS 44 N -5.05 2.88 1.00 5.54 -2.85 -1.26 -4.75 119.74 115.24 1i02 s LYS 44 Ca 0.65 -0.47 -0.14 0.00 -1.00 0.00 0.00 55.97 55.00 1i02 s LYS 44 Cb -0.18 -2.48 0.19 0.00 -2.06 0.00 0.00 37.83 33.31 1i02 s LYS 44 CO 0.56 -0.49 1.16 -1.12 0.10 0.00 0.00 175.35 175.56 1i02 s SER 45 N -4.30 2.74 0.00 0.03 0.01 -1.26 -4.82 113.70 106.11 1i02 s SER 45 Ca 0.52 0.80 0.00 0.00 1.31 0.00 0.00 55.95 58.58 1i02 s SER 45 Cb -0.10 -1.22 0.00 0.00 0.21 0.00 0.00 66.02 64.90 1i02 s SER 45 CO 0.39 -3.01 0.00 -0.24 0.41 0.00 0.00 173.24 170.79 1i02 n SER 46 N -4.04 1.09 0.00 2.44 2.88 -0.65 -5.01 113.62 110.33 1i02 n SER 46 Ca 0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 1i02 n SER 46 Cb 0.59 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.05 1i02 n SER 46 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1i02 n LEU 47 N 0.00 0.00 -2.39 2.46 4.77 -1.26 -4.11 117.00 116.46 1i02 n LEU 47 Ca 0.00 0.09 -0.24 0.00 -0.03 0.00 0.00 56.01 55.82 1i02 n LEU 47 Cb 0.00 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.10 1i02 n LEU 47 CO 0.00 0.00 0.16 0.18 -1.33 0.00 0.00 177.39 176.40 1i02 n LEU 48 N -0.15 4.46 -3.75 2.23 7.99 -1.26 -4.90 117.00 121.61 1i02 n LEU 48 Ca 0.00 -4.96 -0.14 0.00 -0.01 0.00 0.00 56.01 50.90 1i02 n LEU 48 Cb 0.00 -0.35 -0.15 0.00 -0.11 0.00 0.00 43.42 42.81 1i02 n LEU 48 CO 0.00 2.13 -0.28 0.54 -1.51 0.00 0.00 177.39 178.28 1i02 s VAL 49 N -5.12 -0.06 -0.03 4.08 0.11 -1.26 -2.60 120.40 115.52 1i02 s VAL 49 Ca 0.47 0.20 -0.01 0.00 -2.93 0.00 0.00 61.98 59.71 1i02 s VAL 49 Cb 0.40 -0.18 0.03 0.00 -1.53 0.00 0.00 36.38 35.11 1i02 s VAL 49 CO -0.12 0.08 0.06 -0.75 -3.33 0.00 0.00 175.10 171.04 1i02 s LYS 50 N 1.17 -0.04 -0.17 1.54 2.20 -0.62 -1.64 119.74 122.18 1i02 s LYS 50 Ca -0.09 0.28 0.01 0.00 -0.36 0.00 0.00 55.97 55.81 1i02 s LYS 50 Cb -0.12 -0.32 0.02 0.00 -1.51 0.00 0.00 37.83 35.90 1i02 s LYS 50 CO -0.05 -0.22 -0.18 1.52 -0.36 0.00 0.00 175.35 176.06 1i02 s TYR 51 N 1.46 2.57 0.13 4.03 1.13 -1.26 -1.82 117.35 123.60 1i02 s TYR 51 Ca -0.04 -1.51 -0.05 0.00 -1.41 0.00 0.00 57.07 54.05 1i02 s TYR 51 Cb -0.13 -1.81 -0.06 0.00 -1.10 0.00 0.00 41.96 38.87 1i02 s TYR 51 CO -0.03 -0.76 0.38 0.08 -2.51 0.00 0.00 175.55 172.70 1i02 s VAL 52 N 1.36 5.16 0.03 -3.49 1.01 -0.70 -4.73 120.40 119.03 1i02 s VAL 52 Ca 0.05 0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.12 1i02 s VAL 52 Cb -0.13 -3.62 -0.02 0.00 0.00 0.00 0.00 36.38 32.60 1i02 s VAL 52 CO -0.12 0.07 -0.04 0.00 0.00 0.00 0.00 175.10 175.00 1i02 n ASN 55 N 1.29 5.19 -2.62 0.00 6.94 -1.26 -0.81 115.26 123.98 1i02 n ASN 55 Ca -0.18 -3.06 -0.12 0.00 -0.02 0.00 0.00 54.58 51.20 1i02 n ASN 55 Cb 0.53 -1.51 -0.02 0.00 -2.36 0.00 0.00 39.78 36.42 1i02 n ASN 55 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 1i02 n THR 56 N 3.79 0.00 -4.44 5.53 -1.04 -1.01 -4.94 114.28 112.18 1i02 n THR 56 Ca 0.38 -1.39 -0.34 0.00 -2.04 0.00 0.00 64.05 60.66 1i02 n THR 56 Cb 0.39 0.89 -0.14 0.00 -1.82 0.00 0.00 70.33 69.66 1i02 n THR 56 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1i02 s ASP 57 N -2.78 4.33 -0.98 8.00 2.15 -1.26 -4.36 116.67 121.76 1i02 s ASP 57 Ca 0.23 -0.28 -0.12 0.00 0.43 0.00 0.00 52.55 52.80 1i02 s ASP 57 Cb -0.01 -1.70 -0.00 0.00 -0.30 0.00 0.00 42.92 40.91 1i02 s ASP 57 CO 0.16 0.12 0.71 -1.14 -0.17 0.00 0.00 175.17 174.86 1i02 n ARG 58 N 3.85 -1.24 -0.04 4.34 3.00 0.35 -4.90 116.66 122.03 1i02 n ARG 58 Ca -0.18 0.71 -0.06 0.00 -0.00 0.00 0.00 57.85 58.32 1i02 n ARG 58 Cb 0.52 -3.78 -0.03 0.00 0.00 0.00 0.00 32.46 29.18 1i02 n ARG 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63