#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 0.69 -0.01 1.47 -2.85 -1.26 -2.57 119.74 115.21 1i02 s LYS 2 Ca 0.00 -0.99 0.08 0.00 -1.00 0.00 0.00 55.97 54.06 1i02 s LYS 2 Cb 0.00 0.27 -0.02 0.00 -2.06 0.00 0.00 37.83 36.01 1i02 s LYS 2 CO 0.00 -0.18 -0.25 0.00 0.10 0.00 0.00 175.35 175.02 1i02 n ASN 4 N 2.30 0.64 -4.59 0.00 2.85 -1.26 -1.41 115.26 113.79 1i02 n ASN 4 Ca -0.16 1.15 -0.25 0.00 -0.11 0.00 0.00 54.58 55.21 1i02 n ASN 4 Cb 0.51 -1.15 0.12 0.00 1.24 0.00 0.00 39.78 40.50 1i02 n ASN 4 CO 0.00 0.00 0.00 -1.59 -2.11 0.00 0.00 177.26 173.56 1i02 s LYS 5 N -0.83 1.50 0.32 1.20 -2.85 -0.29 -4.19 119.74 114.60 1i02 s LYS 5 Ca 0.68 -1.03 0.06 0.00 -1.00 0.00 0.00 55.97 54.68 1i02 s LYS 5 Cb -0.86 -2.26 0.87 0.00 -2.06 0.00 0.00 37.83 33.52 1i02 s LYS 5 CO 0.56 -1.61 1.59 -0.07 0.10 0.00 0.00 175.35 175.91 1i02 h LEU 6 N -0.71 -0.22 -9.54 2.77 3.38 -1.85 -3.37 115.31 105.78 1i02 h LEU 6 Ca -0.37 0.26 -0.57 0.00 0.09 0.00 0.00 57.88 57.29 1i02 h LEU 6 Cb 1.26 0.40 -0.05 0.00 0.09 0.00 0.00 40.66 42.36 1i02 h LEU 6 CO 0.39 -0.33 -0.01 -0.69 0.09 0.00 0.00 178.44 177.89 1i02 s VAL 7 N -5.89 4.89 -2.00 1.22 1.01 -1.26 -4.93 120.40 113.44 1i02 s VAL 7 Ca -0.12 1.25 0.03 0.00 0.00 0.00 0.00 61.98 63.15 1i02 s VAL 7 Cb 0.29 -3.93 0.10 0.00 0.00 0.00 0.00 36.38 32.84 1i02 s VAL 7 CO 0.78 0.43 0.63 -0.81 0.00 0.00 0.00 175.10 176.13 1i02 n PRO 8 N 2.63 0.42 -0.05 2.72 -0.05 -1.26 -2.78 135.00 136.63 1i02 n PRO 8 Ca -0.07 0.00 -0.10 0.00 -0.05 0.00 0.00 63.50 63.28 1i02 n PRO 8 Cb 0.51 -1.13 -0.15 0.00 -0.05 0.00 0.00 33.50 32.68 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 -0.63 0.80 -4.28 1.53 4.32 -1.26 -5.01 117.00 112.47 1i02 n LEU 9 Ca 0.03 0.24 -0.17 0.00 -0.02 0.00 0.00 56.01 56.08 1i02 n LEU 9 Cb 0.01 0.14 -0.09 0.00 -1.62 0.00 0.00 43.42 41.86 1i02 n LEU 9 CO 0.02 0.48 -0.19 0.72 -1.22 0.00 0.00 177.39 177.20 1i02 s PHE 10 N -2.56 1.50 0.16 -1.77 -0.71 -1.12 -5.08 117.98 108.41 1i02 s PHE 10 Ca -0.09 -1.45 0.02 0.00 -1.04 0.00 0.00 56.93 54.37 1i02 s PHE 10 Cb 0.07 -0.73 -0.01 0.00 -1.21 0.00 0.00 43.02 41.15 1i02 s PHE 10 CO 0.81 -0.65 0.17 2.48 -1.34 0.00 0.00 175.22 176.69 1i02 n TYR 11 N -0.49 -0.57 -4.36 3.49 0.18 -1.26 -1.13 117.16 113.01 1i02 n TYR 11 Ca 0.03 -1.21 -0.21 0.00 1.88 0.00 0.00 57.90 58.39 1i02 n TYR 11 Cb 0.65 0.18 -0.11 0.00 -0.38 0.00 0.00 39.34 39.68 1i02 n TYR 11 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 1i02 s LYS 12 N -2.52 1.37 0.12 -3.48 1.02 -0.50 -4.71 119.74 111.04 1i02 s LYS 12 Ca 0.16 -1.53 0.03 0.00 0.02 0.00 0.00 55.97 54.66 1i02 s LYS 12 Cb 0.00 -1.36 -0.04 0.00 -0.52 0.00 0.00 37.83 35.92 1i02 s LYS 12 CO 0.12 0.26 0.14 0.99 -0.92 0.00 0.00 175.35 175.93 1i02 s THR 13 N -2.40 4.69 -0.04 2.17 2.01 -1.26 -0.81 115.64 119.99 1i02 s THR 13 Ca 0.20 -0.85 -0.05 0.00 0.31 0.00 0.00 61.69 61.31 1i02 s THR 13 Cb -0.04 -3.33 0.01 0.00 0.01 0.00 0.00 72.50 69.15 1i02 s THR 13 CO 0.08 0.01 0.13 0.00 -0.69 0.00 0.00 174.62 174.15 1i02 n PRO 15 N 2.81 -1.87 -0.68 0.00 -0.05 -1.26 -4.10 135.00 129.84 1i02 n PRO 15 Ca -0.14 -0.22 -0.30 0.00 -0.05 0.00 0.00 63.50 62.79 1i02 n PRO 15 Cb 0.59 -0.25 0.26 0.00 -0.05 0.00 0.00 33.50 34.05 1i02 n PRO 15 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1i02 s ALA 16 N -2.50 -0.18 0.00 0.55 0.00 -1.26 -3.50 121.76 114.88 1i02 s ALA 16 Ca 0.10 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.37 1i02 s ALA 16 Cb -0.01 -3.00 0.00 0.00 0.00 0.00 0.00 23.12 20.11 1i02 s ALA 16 CO 0.08 -4.02 0.00 0.41 0.00 0.00 0.00 175.76 172.23 1i02 n GLY 17 N 0.37 0.83 2.77 0.00 0.00 -1.26 -4.93 105.19 102.97 1i02 n GLY 17 Ca 0.10 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.22 0.16 0.00 1.61 2.20 -1.23 -4.33 119.74 117.93 1i02 s LYS 18 Ca 0.00 0.28 0.00 0.00 -0.36 0.00 0.00 55.97 55.89 1i02 s LYS 18 Cb 0.00 -1.03 0.00 0.00 -1.51 0.00 0.00 37.83 35.29 1i02 s LYS 18 CO 0.00 -0.58 0.00 0.27 -0.36 0.00 0.00 175.35 174.68 1i02 n ASN 19 N 5.32 0.66 -3.25 1.43 0.23 -1.23 -4.82 115.26 113.60 1i02 n ASN 19 Ca -0.05 -0.27 -0.13 0.00 -0.53 0.00 0.00 54.58 53.60 1i02 n ASN 19 Cb 0.50 0.67 0.07 0.00 -2.08 0.00 0.00 39.78 38.93 1i02 n ASN 19 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1i02 n LEU 20 N -0.73 0.00 -3.84 -4.53 4.77 -0.92 -2.79 117.00 108.96 1i02 n LEU 20 Ca 0.00 -1.02 -0.16 0.00 -0.03 0.00 0.00 56.01 54.80 1i02 n LEU 20 Cb 0.00 -0.37 -0.16 0.00 -2.33 0.00 0.00 43.42 40.56 1i02 n LEU 20 CO 0.00 -0.80 -0.37 0.00 -1.33 0.00 0.00 177.39 174.89 1i02 s TYR 22 N 0.70 3.11 -0.41 0.00 1.13 0.24 -2.49 117.35 119.64 1i02 s TYR 22 Ca -0.07 -1.61 -0.08 0.00 -1.41 0.00 0.00 57.07 53.90 1i02 s TYR 22 Cb -0.10 -2.07 0.08 0.00 -1.10 0.00 0.00 41.96 38.76 1i02 s TYR 22 CO -0.01 -0.74 0.23 -1.59 -2.51 0.00 0.00 175.55 170.93 1i02 s LYS 23 N 1.31 2.54 0.12 -3.49 -2.85 -0.55 -2.18 119.74 114.64 1i02 s LYS 23 Ca -0.01 -1.47 0.05 0.00 -1.00 0.00 0.00 55.97 53.55 1i02 s LYS 23 Cb -0.17 -3.72 -0.04 0.00 -2.06 0.00 0.00 37.83 31.84 1i02 s LYS 23 CO -0.03 -0.93 0.03 0.00 0.10 0.00 0.00 175.35 174.51 1i02 s MET 24 N 1.39 2.61 0.00 1.78 0.23 -0.69 -2.25 119.30 122.37 1i02 s MET 24 Ca 0.03 -0.88 0.00 0.00 -1.03 0.00 0.00 55.69 53.81 1i02 s MET 24 Cb -0.23 -2.54 0.00 0.00 -1.53 0.00 0.00 34.83 30.53 1i02 s MET 24 CO 0.01 0.52 0.00 1.97 -2.03 0.00 0.00 175.02 175.49 1i02 n PHE 25 N 0.28 -0.33 -3.14 3.16 -1.74 -1.03 0.26 117.46 114.91 1i02 n PHE 25 Ca -0.10 0.00 -0.42 0.00 -0.56 0.00 0.00 57.45 56.37 1i02 n PHE 25 Cb 0.53 0.00 -0.07 0.00 1.52 0.00 0.00 39.48 41.46 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 -0.95 3.47 0.31 3.97 -1.94 -1.25 -1.89 119.30 121.02 1i02 s MET 26 Ca 0.00 -0.20 0.26 0.00 -1.71 0.00 0.00 55.69 54.04 1i02 s MET 26 Cb 0.00 -3.88 1.02 0.00 2.01 0.00 0.00 34.83 33.99 1i02 s MET 26 CO 0.00 -0.84 1.00 0.28 -0.01 0.00 0.00 175.02 175.44 1i02 n VAL 27 N 5.67 -0.09 -0.24 -6.03 0.31 0.74 0.29 118.33 118.98 1i02 n VAL 27 Ca -0.02 1.06 0.02 0.00 -0.01 0.00 0.00 64.34 65.39 1i02 n VAL 27 Cb 0.48 -1.76 0.11 0.00 -0.91 0.00 0.00 33.84 31.76 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 0.85 0.58 -3.05 3.52 0.00 -1.87 -3.27 119.26 116.02 1i02 h ALA 28 Ca 0.58 0.25 -0.62 0.00 0.00 0.00 0.00 54.91 55.12 1i02 h ALA 28 Cb 2.08 0.47 -0.40 0.00 0.00 0.00 0.00 17.79 19.93 1i02 h ALA 28 CO -0.17 -0.42 -0.71 0.99 0.00 0.00 0.00 179.25 178.94 1i02 s THR 29 N -6.19 1.75 0.00 0.00 2.01 0.14 -4.97 115.64 108.40 1i02 s THR 29 Ca -0.14 -2.90 0.00 0.00 0.31 0.00 0.00 61.69 58.96 1i02 s THR 29 Cb 0.21 -2.21 0.00 0.00 0.01 0.00 0.00 72.50 70.50 1i02 s THR 29 CO 0.75 -0.90 0.88 -0.81 -0.69 0.00 0.00 174.62 173.84 1i02 n PRO 30 N 3.25 0.77 -0.00 4.92 -0.05 -1.24 -3.25 135.00 139.40 1i02 n PRO 30 Ca 0.10 0.00 0.02 0.00 -0.05 0.00 0.00 63.50 63.57 1i02 n PRO 30 Cb 0.35 -1.12 -0.02 0.00 -0.05 0.00 0.00 33.50 32.66 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 0.76 2.15 -3.64 0.54 3.00 -1.26 -4.87 118.16 114.83 1i02 n LYS 31 Ca 0.00 -0.02 -0.29 0.00 -0.00 0.00 0.00 58.31 58.00 1i02 n LYS 31 Cb 0.38 -0.93 -0.13 0.00 0.00 0.00 0.00 35.03 34.35 1i02 n LYS 31 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1i02 s VAL 32 N -1.91 1.06 0.65 3.15 1.01 -1.20 -5.12 120.40 118.04 1i02 s VAL 32 Ca -0.00 -2.32 -0.18 0.00 0.00 0.00 0.00 61.98 59.48 1i02 s VAL 32 Cb 0.02 -1.75 -0.01 0.00 0.00 0.00 0.00 36.38 34.65 1i02 s VAL 32 CO 0.14 -0.92 1.27 -2.84 0.00 0.00 0.00 175.10 172.75 1i02 s PRO 33 N 0.55 2.55 -0.09 2.72 0.02 -1.26 -4.76 135.00 134.72 1i02 s PRO 33 Ca 0.18 2.00 0.17 0.00 0.02 0.00 0.00 61.00 63.36 1i02 s PRO 33 Cb -0.24 -1.85 -0.23 0.00 0.02 0.00 0.00 34.50 32.20 1i02 s PRO 33 CO 0.00 -1.58 0.42 1.33 -0.33 0.00 0.00 177.00 176.84 1i02 n VAL 34 N -1.97 1.29 -4.66 3.83 0.24 0.72 -4.90 118.33 112.88 1i02 n VAL 34 Ca 0.15 -0.78 -0.27 0.00 -2.04 0.00 0.00 64.34 61.40 1i02 n VAL 34 Cb 0.49 -0.63 -0.14 0.00 -1.47 0.00 0.00 33.84 32.08 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 -2.70 1.49 -0.32 7.34 1.02 -0.69 -4.96 119.74 120.93 1i02 s LYS 35 Ca -0.07 -1.07 -0.00 0.00 0.02 0.00 0.00 55.97 54.85 1i02 s LYS 35 Cb 0.08 -1.69 0.13 0.00 -0.52 0.00 0.00 37.83 35.83 1i02 s LYS 35 CO 0.83 0.43 0.25 0.50 -0.92 0.00 0.00 175.35 176.44 1i02 s ARG 36 N -1.38 0.42 0.00 1.68 6.06 -1.25 -1.70 118.95 122.78 1i02 s ARG 36 Ca 0.09 -0.70 0.00 0.00 -2.50 0.00 0.00 55.73 52.62 1i02 s ARG 36 Cb -0.09 -0.95 0.00 0.00 0.06 0.00 0.00 34.95 33.97 1i02 s ARG 36 CO 0.03 -1.11 0.00 0.41 -2.50 0.00 0.00 175.30 172.12 1i02 n GLY 37 N 4.72 4.56 3.78 8.12 0.00 -0.93 -4.01 105.19 121.43 1i02 n GLY 37 Ca 0.04 -1.15 -0.33 0.00 0.00 0.00 0.00 46.02 44.57 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 -1.15 0.99 -0.15 0.00 1.01 -0.98 -4.68 121.20 116.25 1i02 s ILE 39 Ca 0.21 -1.65 0.15 0.00 0.00 0.00 0.00 60.65 59.36 1i02 s ILE 39 Cb -0.12 -1.38 -0.21 0.00 0.01 0.00 0.00 42.46 40.77 1i02 s ILE 39 CO 0.12 -0.54 0.08 -0.90 0.00 0.00 0.00 174.94 173.71 1i02 n ASP 40 N 0.56 1.00 -3.89 3.58 5.68 -1.26 -2.17 116.55 120.05 1i02 n ASP 40 Ca -0.16 0.00 -0.13 0.00 -0.50 0.00 0.00 54.79 54.00 1i02 n ASP 40 Cb 0.58 0.98 -0.14 0.00 -1.14 0.00 0.00 41.12 41.39 1i02 n ASP 40 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1i02 s VAL 41 N -2.46 0.11 -0.28 2.12 0.11 -1.26 -4.93 120.40 113.82 1i02 s VAL 41 Ca -0.08 -0.05 -0.21 0.00 -2.93 0.00 0.00 61.98 58.71 1i02 s VAL 41 Cb 0.05 -0.11 -0.01 0.00 -1.53 0.00 0.00 36.38 34.78 1i02 s VAL 41 CO 0.67 0.04 0.67 0.00 -3.33 0.00 0.00 175.10 173.14 1i02 n PRO 43 N 5.85 1.27 -4.13 0.00 -0.01 -1.26 -4.98 135.00 131.74 1i02 n PRO 43 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 63.50 63.16 1i02 n PRO 43 Cb 0.49 0.00 -0.07 0.00 -0.01 0.00 0.00 33.50 33.90 1i02 n PRO 43 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 175.50 175.64 1i02 s LYS 44 N -0.12 3.09 0.11 -0.52 1.02 -1.26 -4.95 119.74 117.10 1i02 s LYS 44 Ca 0.00 -0.44 -0.28 0.00 0.02 0.00 0.00 55.97 55.28 1i02 s LYS 44 Cb 0.00 -2.88 -0.06 0.00 -0.52 0.00 0.00 37.83 34.37 1i02 s LYS 44 CO 0.00 0.67 0.87 -1.12 -0.92 0.00 0.00 175.35 174.85 1i02 s SER 45 N -1.51 7.40 0.27 2.83 0.01 -1.26 -4.69 113.70 116.75 1i02 s SER 45 Ca 0.20 1.67 0.02 0.00 1.31 0.00 0.00 55.95 59.16 1i02 s SER 45 Cb -0.12 -2.54 0.02 0.00 0.21 0.00 0.00 66.02 63.60 1i02 s SER 45 CO 0.11 0.02 0.20 -0.24 0.41 0.00 0.00 173.24 173.74 1i02 n SER 46 N 2.52 1.87 0.00 2.44 2.88 0.17 -5.00 113.62 118.50 1i02 n SER 46 Ca -0.01 -1.94 0.12 0.00 -1.33 0.00 0.00 58.87 55.71 1i02 n SER 46 Cb 0.49 -0.02 0.56 0.00 -0.75 0.00 0.00 64.21 64.49 1i02 n SER 46 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1i02 n LEU 47 N 0.00 0.00 0.00 2.46 7.94 -1.26 -3.88 117.00 122.26 1i02 n LEU 47 Ca -0.01 0.45 0.00 0.00 -1.11 0.00 0.00 56.01 55.34 1i02 n LEU 47 Cb 0.31 -0.45 0.00 0.00 0.53 0.00 0.00 43.42 43.81 1i02 n LEU 47 CO 0.18 -0.07 -0.31 0.18 -1.11 0.00 0.00 177.39 176.26 1i02 n LEU 48 N -1.45 0.00 -4.33 -1.96 4.32 -1.26 -4.75 117.00 107.57 1i02 n LEU 48 Ca 0.07 0.00 -0.22 0.00 -0.02 0.00 0.00 56.01 55.84 1i02 n LEU 48 Cb 0.27 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 41.96 1i02 n LEU 48 CO 0.22 0.00 -0.49 0.54 -1.22 0.00 0.00 177.39 176.45 1i02 s VAL 49 N -1.41 1.82 -0.08 4.08 0.11 -1.25 0.26 120.40 123.93 1i02 s VAL 49 Ca 0.00 -1.88 -0.03 0.00 -2.93 0.00 0.00 61.98 57.13 1i02 s VAL 49 Cb 0.00 -1.82 0.05 0.00 -1.53 0.00 0.00 36.38 33.07 1i02 s VAL 49 CO 0.00 -0.28 0.16 -0.75 -3.33 0.00 0.00 175.10 170.90 1i02 s LYS 50 N -2.71 0.06 -0.38 1.54 2.20 -0.80 -0.66 119.74 119.00 1i02 s LYS 50 Ca 0.15 0.52 -0.15 0.00 -0.36 0.00 0.00 55.97 56.14 1i02 s LYS 50 Cb -0.06 -0.23 0.00 0.00 -1.51 0.00 0.00 37.83 36.03 1i02 s LYS 50 CO 0.06 -0.27 0.32 0.71 -0.36 0.00 0.00 175.35 175.82 1i02 s TYR 51 N 2.00 3.22 -0.13 4.03 1.51 -1.26 -2.47 117.35 124.24 1i02 s TYR 51 Ca -0.00 -0.35 -0.20 0.00 -1.01 0.00 0.00 57.07 55.51 1i02 s TYR 51 Cb -0.12 -2.63 -0.04 0.00 -0.11 0.00 0.00 41.96 39.07 1i02 s TYR 51 CO -0.06 -0.52 0.55 0.08 -1.11 0.00 0.00 175.55 174.49 1i02 s VAL 52 N 1.83 5.12 -0.06 0.71 1.01 -0.96 -4.83 120.40 123.23 1i02 s VAL 52 Ca 0.08 1.09 0.02 0.00 0.00 0.00 0.00 61.98 63.16 1i02 s VAL 52 Cb -0.18 -3.88 0.02 0.00 0.00 0.00 0.00 36.38 32.33 1i02 s VAL 52 CO 0.11 0.26 -0.10 0.00 0.00 0.00 0.00 175.10 175.37 1i02 n ASN 55 N 1.70 5.18 -3.74 0.00 2.85 -1.26 -0.96 115.26 119.03 1i02 n ASN 55 Ca -0.18 -3.11 -0.12 0.00 -0.11 0.00 0.00 54.58 51.05 1i02 n ASN 55 Cb 0.54 -1.48 -0.11 0.00 1.24 0.00 0.00 39.78 39.97 1i02 n ASN 55 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 1i02 s THR 56 N 0.35 -0.01 -0.25 -0.44 -4.23 -1.12 -4.88 115.64 105.06 1i02 s THR 56 Ca 0.39 0.03 -0.28 0.00 -1.18 0.00 0.00 61.69 60.65 1i02 s THR 56 Cb 0.08 -0.52 -0.04 0.00 1.34 0.00 0.00 72.50 73.36 1i02 s THR 56 CO 0.01 0.01 2.00 -0.62 -0.54 0.00 0.00 174.62 175.48 1i02 s ASP 57 N 0.51 5.73 -0.24 3.99 2.15 -1.26 -3.12 116.67 124.42 1i02 s ASP 57 Ca -0.03 1.66 -0.01 0.00 0.43 0.00 0.00 52.55 54.61 1i02 s ASP 57 Cb -0.04 -2.52 -0.01 0.00 -0.30 0.00 0.00 42.92 40.05 1i02 s ASP 57 CO -0.03 -1.78 0.22 -1.14 -0.17 0.00 0.00 175.17 172.28 1i02 n ARG 58 N 8.51 -0.47 -0.80 4.34 0.00 0.98 -4.92 116.66 124.30 1i02 n ARG 58 Ca 0.26 0.64 0.04 0.00 -0.00 0.00 0.00 57.85 58.79 1i02 n ARG 58 Cb 0.46 -2.76 0.08 0.00 0.00 0.00 0.00 32.46 30.23 1i02 n ARG 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63