#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 1.47 -0.10 1.47 3.01 -1.26 -2.00 119.74 122.33 1i02 s LYS 2 Ca 0.00 -1.09 -0.06 0.00 -1.01 0.00 0.00 55.97 53.81 1i02 s LYS 2 Cb 0.00 -2.58 -0.04 0.00 -1.01 0.00 0.00 37.83 34.20 1i02 s LYS 2 CO 0.00 -0.69 0.14 0.00 0.51 0.00 0.00 175.35 175.31 1i02 n ASN 4 N 1.80 0.34 -4.94 0.00 3.02 -1.26 -0.74 115.26 113.47 1i02 n ASN 4 Ca -0.18 1.15 -0.25 0.00 -0.03 0.00 0.00 54.58 55.27 1i02 n ASN 4 Cb 0.54 -1.12 -0.02 0.00 -0.61 0.00 0.00 39.78 38.57 1i02 n ASN 4 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1i02 s LYS 5 N -0.92 3.48 0.18 3.52 0.00 -0.30 -4.33 119.74 121.38 1i02 s LYS 5 Ca 0.67 -0.47 0.08 0.00 0.00 0.00 0.00 55.97 56.25 1i02 s LYS 5 Cb -0.87 -2.82 0.61 0.00 0.00 0.00 0.00 37.83 34.76 1i02 s LYS 5 CO 0.56 0.35 0.80 1.28 0.00 0.00 0.00 175.35 178.35 1i02 n LEU 6 N -1.16 0.12 -4.77 2.77 4.32 -1.26 -4.05 117.00 112.97 1i02 n LEU 6 Ca -0.06 0.85 -0.39 0.00 -0.02 0.00 0.00 56.01 56.39 1i02 n LEU 6 Cb 0.55 -0.39 -0.06 0.00 -1.62 0.00 0.00 43.42 41.91 1i02 n LEU 6 CO 0.48 -0.93 0.33 -0.69 -1.22 0.00 0.00 177.39 175.35 1i02 s VAL 7 N -4.92 4.79 -0.55 4.08 1.01 -1.26 -4.93 120.40 118.62 1i02 s VAL 7 Ca -0.05 1.33 0.00 0.00 0.00 0.00 0.00 61.98 63.26 1i02 s VAL 7 Cb 0.17 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.58 1i02 s VAL 7 CO 0.40 0.46 0.38 -0.81 0.00 0.00 0.00 175.10 175.52 1i02 n PRO 8 N 2.38 0.52 0.00 2.72 -0.05 -1.26 -3.17 135.00 136.14 1i02 n PRO 8 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.38 1i02 n PRO 8 Cb 0.51 -1.25 0.00 0.00 -0.05 0.00 0.00 33.50 32.71 1i02 n PRO 8 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 175.50 176.73 1i02 n LEU 9 N 0.47 1.75 -4.43 1.53 4.32 -1.26 -5.08 117.00 114.30 1i02 n LEU 9 Ca 0.00 0.00 -0.21 0.00 -0.02 0.00 0.00 56.01 55.78 1i02 n LEU 9 Cb 0.19 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 41.88 1i02 n LEU 9 CO 0.00 0.29 -0.34 0.72 -1.22 0.00 0.00 177.39 176.84 1i02 s PHE 10 N -1.98 1.94 0.30 -1.77 -0.71 -1.19 -5.06 117.98 109.51 1i02 s PHE 10 Ca 0.00 -0.76 0.03 0.00 -1.04 0.00 0.00 56.93 55.16 1i02 s PHE 10 Cb 0.00 -1.15 -0.06 0.00 -1.21 0.00 0.00 43.02 40.60 1i02 s PHE 10 CO 0.00 0.21 0.06 1.52 -1.34 0.00 0.00 175.22 175.67 1i02 s TYR 11 N -3.09 1.85 0.16 3.49 -0.85 -1.26 -1.15 117.35 116.51 1i02 s TYR 11 Ca 0.31 -1.00 0.07 0.00 -0.52 0.00 0.00 57.07 55.92 1i02 s TYR 11 Cb 0.05 -1.18 -0.04 0.00 0.38 0.00 0.00 41.96 41.17 1i02 s TYR 11 CO 0.12 -0.07 0.01 0.21 -1.52 0.00 0.00 175.55 174.30 1i02 s LYS 12 N -3.92 2.45 0.07 -3.49 2.20 0.08 -4.70 119.74 112.43 1i02 s LYS 12 Ca 0.36 -1.06 0.02 0.00 -0.36 0.00 0.00 55.97 54.94 1i02 s LYS 12 Cb 0.08 -2.40 -0.04 0.00 -1.51 0.00 0.00 37.83 33.96 1i02 s LYS 12 CO 0.15 0.47 0.14 0.99 -0.36 0.00 0.00 175.35 176.73 1i02 s THR 13 N -1.67 4.90 0.04 3.43 2.01 -1.26 -1.09 115.64 122.00 1i02 s THR 13 Ca 0.27 -0.61 0.01 0.00 0.31 0.00 0.00 61.69 61.67 1i02 s THR 13 Cb -0.10 -3.38 -0.03 0.00 0.01 0.00 0.00 72.50 69.01 1i02 s THR 13 CO 0.19 0.13 -0.05 0.00 -0.69 0.00 0.00 174.62 174.20 1i02 n PRO 15 N 1.16 -4.35 -0.93 0.00 -0.04 -1.26 -1.38 135.00 128.20 1i02 n PRO 15 Ca -0.21 -1.49 -0.29 0.00 -0.04 0.00 0.00 63.50 61.47 1i02 n PRO 15 Cb 0.56 -1.77 0.20 0.00 -0.04 0.00 0.00 33.50 32.46 1i02 n PRO 15 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1i02 s ALA 16 N -2.36 0.46 0.00 0.55 0.00 -1.26 -3.42 121.76 115.73 1i02 s ALA 16 Ca 0.66 -0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.39 1i02 s ALA 16 Cb -0.10 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 19.84 1i02 s ALA 16 CO 0.54 -3.19 0.00 0.41 0.00 0.00 0.00 175.76 173.52 1i02 n GLY 17 N -0.35 2.06 3.36 0.00 0.00 -1.26 -4.92 105.19 104.08 1i02 n GLY 17 Ca 0.05 -0.20 -0.44 0.00 0.00 0.00 0.00 46.02 45.42 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 0.00 2.93 0.00 1.61 2.20 -1.22 -4.50 119.74 120.76 1i02 s LYS 18 Ca 0.00 -1.42 0.00 0.00 -0.36 0.00 0.00 55.97 54.19 1i02 s LYS 18 Cb 0.00 -4.11 0.00 0.00 -1.51 0.00 0.00 37.83 32.21 1i02 s LYS 18 CO 0.00 -1.06 0.95 0.27 -0.36 0.00 0.00 175.35 175.15 1i02 n ASN 19 N 5.17 1.88 -4.85 1.43 6.94 -1.23 -4.36 115.26 120.23 1i02 n ASN 19 Ca -0.12 -1.91 -0.21 0.00 -0.02 0.00 0.00 54.58 52.31 1i02 n ASN 19 Cb 0.43 0.00 -0.04 0.00 -2.36 0.00 0.00 39.78 37.81 1i02 n ASN 19 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 1i02 s LEU 20 N -0.91 3.70 -0.16 -4.53 2.96 -0.89 -1.45 118.68 117.40 1i02 s LEU 20 Ca 0.00 -0.40 -0.01 0.00 -0.22 0.00 0.00 54.13 53.51 1i02 s LEU 20 Cb 0.00 -2.30 0.04 0.00 0.50 0.00 0.00 46.19 44.43 1i02 s LEU 20 CO 0.00 -0.26 -0.05 0.00 -1.32 0.00 0.00 176.35 174.72 1i02 s TYR 22 N 1.65 3.51 -0.24 0.00 1.13 0.73 -2.74 117.35 121.39 1i02 s TYR 22 Ca 0.01 0.44 0.02 0.00 -1.41 0.00 0.00 57.07 56.13 1i02 s TYR 22 Cb -0.15 -2.02 0.05 0.00 -1.10 0.00 0.00 41.96 38.74 1i02 s TYR 22 CO -0.08 0.55 -0.10 -1.59 -2.51 0.00 0.00 175.55 171.83 1i02 s LYS 23 N -0.48 2.07 -0.19 -3.49 -2.85 -0.56 -1.76 119.74 112.48 1i02 s LYS 23 Ca 0.12 -1.13 -0.08 0.00 -1.00 0.00 0.00 55.97 53.88 1i02 s LYS 23 Cb -0.12 -2.70 -0.04 0.00 -2.06 0.00 0.00 37.83 32.91 1i02 s LYS 23 CO 0.02 -0.53 0.07 1.41 0.10 0.00 0.00 175.35 176.42 1i02 s MET 24 N 1.25 4.00 0.12 1.78 1.75 -0.88 -1.66 119.30 125.66 1i02 s MET 24 Ca -0.06 -0.33 -0.01 0.00 -1.25 0.00 0.00 55.69 54.04 1i02 s MET 24 Cb -0.19 -3.25 0.00 0.00 2.84 0.00 0.00 34.83 34.24 1i02 s MET 24 CO -0.06 0.26 0.18 1.97 -0.65 0.00 0.00 175.02 176.71 1i02 n PHE 25 N 3.59 -0.86 -3.42 4.11 -1.74 0.39 -1.85 117.46 117.69 1i02 n PHE 25 Ca -0.16 -0.77 -0.36 0.00 -0.56 0.00 0.00 57.45 55.60 1i02 n PHE 25 Cb 0.52 0.20 -0.06 0.00 1.52 0.00 0.00 39.48 41.67 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 -2.24 3.94 0.42 3.97 -1.94 -1.26 -0.69 119.30 121.50 1i02 s MET 26 Ca 0.09 0.42 0.28 0.00 -1.71 0.00 0.00 55.69 54.78 1i02 s MET 26 Cb -0.00 -2.99 1.54 0.00 2.01 0.00 0.00 34.83 35.39 1i02 s MET 26 CO 0.07 0.52 1.87 0.28 -0.01 0.00 0.00 175.02 177.75 1i02 h VAL 27 N 2.92 0.00 0.00 -6.03 2.07 -1.86 0.66 116.25 114.01 1i02 h VAL 27 Ca -0.49 -0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.00 1i02 h VAL 27 Cb 1.20 0.63 -0.00 0.00 -1.52 0.00 0.00 31.29 31.59 1i02 h VAL 27 CO 0.65 0.00 -0.13 0.00 0.02 0.00 0.00 177.57 178.11 1i02 h ALA 28 N 2.00 1.05 -2.19 1.67 0.00 -1.92 -3.31 119.26 116.55 1i02 h ALA 28 Ca 0.00 -0.12 -0.58 0.00 0.00 0.00 0.00 54.91 54.21 1i02 h ALA 28 Cb 0.00 -0.02 -0.40 0.00 0.00 0.00 0.00 17.79 17.37 1i02 h ALA 28 CO 0.00 0.17 -0.94 -2.37 0.00 0.00 0.00 179.25 176.10 1i02 n THR 29 N -3.32 -0.06 1.14 0.00 5.66 0.22 -4.93 114.28 112.98 1i02 n THR 29 Ca -0.00 -4.18 0.01 0.00 -3.05 0.00 0.00 64.05 56.83 1i02 n THR 29 Cb 0.35 -1.94 0.03 0.00 -1.55 0.00 0.00 70.33 67.23 1i02 n THR 29 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 1i02 n PRO 30 N 1.65 0.57 0.00 1.09 -0.05 -1.24 -2.63 135.00 134.39 1i02 n PRO 30 Ca 0.25 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.70 1i02 n PRO 30 Cb 0.48 -1.03 0.00 0.00 -0.05 0.00 0.00 33.50 32.90 1i02 n PRO 30 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 175.50 176.62 1i02 n LYS 31 N -0.53 -0.56 -3.38 0.54 4.81 -1.26 -4.87 118.16 112.91 1i02 n LYS 31 Ca 0.01 -0.29 -0.26 0.00 -0.87 0.00 0.00 58.31 56.90 1i02 n LYS 31 Cb 0.00 -0.79 -0.09 0.00 0.02 0.00 0.00 35.03 34.18 1i02 n LYS 31 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1i02 n VAL 32 N -0.00 0.08 -1.66 3.15 0.31 -1.08 -5.11 118.33 114.01 1i02 n VAL 32 Ca 0.00 -4.21 -0.39 0.00 -0.01 0.00 0.00 64.34 59.73 1i02 n VAL 32 Cb 0.10 -1.94 0.03 0.00 -0.91 0.00 0.00 33.84 31.13 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 1.73 1.36 -0.00 5.55 -0.01 -1.26 -4.88 135.00 137.49 1i02 n PRO 33 Ca 0.25 0.50 0.09 0.00 -0.01 0.00 0.00 63.50 64.33 1i02 n PRO 33 Cb 0.47 -2.27 -0.13 0.00 -0.01 0.00 0.00 33.50 31.56 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 -1.02 0.00 -5.00 -1.45 0.24 -0.77 -4.91 118.33 105.41 1i02 n VAL 34 Ca 0.11 -0.27 -0.28 0.00 -2.04 0.00 0.00 64.34 61.86 1i02 n VAL 34 Cb 0.43 0.49 -0.16 0.00 -1.47 0.00 0.00 33.84 33.13 1i02 n VAL 34 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1i02 s LYS 35 N -3.07 1.88 -0.22 7.34 1.02 -0.82 -4.95 119.74 120.92 1i02 s LYS 35 Ca -0.01 -0.72 -0.04 0.00 0.02 0.00 0.00 55.97 55.22 1i02 s LYS 35 Cb 0.13 -1.70 0.07 0.00 -0.52 0.00 0.00 37.83 35.82 1i02 s LYS 35 CO 0.79 0.36 0.09 1.03 -0.92 0.00 0.00 175.35 176.70 1i02 s ARG 36 N -0.24 0.24 0.00 1.68 0.52 -1.26 -2.07 118.95 117.82 1i02 s ARG 36 Ca 0.02 -0.34 0.00 0.00 -0.52 0.00 0.00 55.73 54.89 1i02 s ARG 36 Cb -0.10 -1.69 0.00 0.00 0.52 0.00 0.00 34.95 33.68 1i02 s ARG 36 CO 0.01 -0.79 0.00 0.41 0.02 0.00 0.00 175.30 174.95 1i02 n GLY 37 N 5.20 3.90 3.71 -3.53 0.00 -0.72 -4.09 105.19 109.66 1i02 n GLY 37 Ca -0.07 -1.14 -0.30 0.00 0.00 0.00 0.00 46.02 44.52 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 -1.40 0.71 -0.10 0.00 1.01 0.38 -4.65 121.20 117.16 1i02 s ILE 39 Ca 0.27 -1.51 0.18 0.00 0.00 0.00 0.00 60.65 59.59 1i02 s ILE 39 Cb -0.11 -1.16 -0.26 0.00 0.01 0.00 0.00 42.46 40.93 1i02 s ILE 39 CO 0.19 -0.58 0.25 -0.90 0.00 0.00 0.00 174.94 173.91 1i02 n ASP 40 N 0.74 0.55 -3.67 3.58 5.68 -1.26 -2.09 116.55 120.08 1i02 n ASP 40 Ca -0.18 0.00 -0.13 0.00 -0.50 0.00 0.00 54.79 53.98 1i02 n ASP 40 Cb 0.57 1.43 -0.13 0.00 -1.14 0.00 0.00 41.12 41.86 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 -2.91 -0.40 -0.00 2.12 1.01 -1.26 -4.94 120.40 114.01 1i02 s VAL 41 Ca -0.08 0.27 -0.30 0.00 0.00 0.00 0.00 61.98 61.87 1i02 s VAL 41 Cb 0.09 -0.45 -0.04 0.00 0.00 0.00 0.00 36.38 35.98 1i02 s VAL 41 CO 0.78 0.11 1.10 0.00 0.00 0.00 0.00 175.10 177.08 1i02 n PRO 43 N 4.29 1.89 -5.28 0.00 -0.02 -1.26 -5.02 135.00 129.59 1i02 n PRO 43 Ca 0.08 0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 61.25 1i02 n PRO 43 Cb 0.48 0.00 -0.16 0.00 -0.02 0.00 0.00 33.50 33.80 1i02 n PRO 43 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1i02 s LYS 44 N 0.00 2.17 0.98 -0.52 -0.14 -1.26 -5.09 119.74 115.89 1i02 s LYS 44 Ca 0.00 -0.91 -0.11 0.00 -1.36 0.00 0.00 55.97 53.59 1i02 s LYS 44 Cb 0.00 -2.07 0.18 0.00 -1.68 0.00 0.00 37.83 34.26 1i02 s LYS 44 CO 0.00 0.55 1.10 -1.12 -0.76 0.00 0.00 175.35 175.12 1i02 s SER 45 N -0.58 2.45 0.28 2.83 0.01 -1.26 -4.86 113.70 112.58 1i02 s SER 45 Ca 0.09 1.88 0.02 0.00 1.31 0.00 0.00 55.95 59.25 1i02 s SER 45 Cb -0.10 -2.44 -0.04 0.00 0.21 0.00 0.00 66.02 63.64 1i02 s SER 45 CO -0.01 -3.34 0.13 -0.55 0.41 0.00 0.00 173.24 169.89 1i02 s SER 46 N -2.75 1.28 0.00 2.44 0.15 -0.13 -5.01 113.70 109.68 1i02 s SER 46 Ca 0.67 -1.48 0.19 0.00 0.70 0.00 0.00 55.95 56.03 1i02 s SER 46 Cb -0.23 0.31 1.14 0.00 -1.71 0.00 0.00 66.02 65.54 1i02 s SER 46 CO 0.60 -0.83 1.74 -0.11 1.20 0.00 0.00 173.24 175.84 1i02 n LEU 47 N -0.51 0.04 0.09 3.45 0.00 -1.26 -4.24 117.00 114.57 1i02 n LEU 47 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 56.01 56.00 1i02 n LEU 47 Cb 0.65 -0.00 0.00 0.00 0.00 0.00 0.00 43.42 44.07 1i02 n LEU 47 CO 0.36 0.01 0.00 -0.11 0.00 0.00 0.00 177.39 177.64 1i02 n LEU 48 N -0.77 0.26 -4.87 -1.96 0.00 -1.26 -4.96 117.00 103.43 1i02 n LEU 48 Ca 0.15 0.29 -0.33 0.00 0.00 0.00 0.00 56.01 56.12 1i02 n LEU 48 Cb 0.07 0.10 -0.05 0.00 0.00 0.00 0.00 43.42 43.54 1i02 n LEU 48 CO 0.11 -0.73 0.13 0.54 0.00 0.00 0.00 177.39 177.44 1i02 s VAL 49 N -1.80 5.02 -0.14 1.96 0.11 -1.26 -2.96 120.40 121.32 1i02 s VAL 49 Ca 0.00 0.42 -0.06 0.00 -2.93 0.00 0.00 61.98 59.41 1i02 s VAL 49 Cb 0.00 -3.65 0.07 0.00 -1.53 0.00 0.00 36.38 31.27 1i02 s VAL 49 CO 0.00 0.12 0.31 -0.75 -3.33 0.00 0.00 175.10 171.45 1i02 s LYS 50 N -2.35 0.22 -0.08 1.54 2.20 0.13 -0.96 119.74 120.45 1i02 s LYS 50 Ca 0.40 0.78 0.01 0.00 -0.36 0.00 0.00 55.97 56.80 1i02 s LYS 50 Cb -0.13 0.03 0.02 0.00 -1.51 0.00 0.00 37.83 36.24 1i02 s LYS 50 CO 0.21 -0.24 -0.10 1.52 -0.36 0.00 0.00 175.35 176.37 1i02 s TYR 51 N 2.14 1.41 0.36 4.03 1.13 -1.26 -0.46 117.35 124.70 1i02 s TYR 51 Ca -0.03 -0.57 -0.06 0.00 -1.41 0.00 0.00 57.07 55.00 1i02 s TYR 51 Cb -0.11 -1.09 -0.05 0.00 -1.10 0.00 0.00 41.96 39.61 1i02 s TYR 51 CO -0.10 -0.34 0.65 0.08 -2.51 0.00 0.00 175.55 173.33 1i02 s VAL 52 N 1.00 4.95 -0.06 -3.49 1.01 -0.66 -4.77 120.40 118.37 1i02 s VAL 52 Ca -0.08 0.19 -0.03 0.00 0.00 0.00 0.00 61.98 62.06 1i02 s VAL 52 Cb -0.15 -3.76 0.03 0.00 0.00 0.00 0.00 36.38 32.50 1i02 s VAL 52 CO -0.00 -0.48 0.15 0.00 0.00 0.00 0.00 175.10 174.77 1i02 n ASN 55 N 3.22 5.20 -0.36 0.00 4.13 -1.26 -0.86 115.26 125.33 1i02 n ASN 55 Ca -0.18 -3.05 0.00 0.00 1.68 0.00 0.00 54.58 53.02 1i02 n ASN 55 Cb 0.53 -1.52 0.00 0.00 -1.54 0.00 0.00 39.78 37.25 1i02 n ASN 55 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1i02 n THR 56 N 3.88 0.00 -3.71 3.41 -2.24 -0.53 -4.85 114.28 110.24 1i02 n THR 56 Ca 0.38 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.78 1i02 n THR 56 Cb 0.39 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.50 1i02 n THR 56 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1i02 s ASP 57 N 0.60 5.35 -0.98 3.42 -1.08 -1.26 -4.33 116.67 118.39 1i02 s ASP 57 Ca 0.00 -0.67 -0.03 0.00 -0.52 0.00 0.00 52.55 51.33 1i02 s ASP 57 Cb 0.00 -1.94 -0.03 0.00 -1.46 0.00 0.00 42.92 39.49 1i02 s ASP 57 CO 0.00 -0.21 0.84 -1.14 0.52 0.00 0.00 175.17 175.18 1i02 n ARG 58 N 4.92 -3.77 -0.07 4.34 0.00 0.26 -4.93 116.66 117.40 1i02 n ARG 58 Ca -0.14 0.75 -0.07 0.00 -0.00 0.00 0.00 57.85 58.39 1i02 n ARG 58 Cb 0.48 -5.37 -0.11 0.00 0.00 0.00 0.00 32.46 27.47 1i02 n ARG 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63