#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 1.35 0.05 1.47 0.00 -1.26 -1.47 119.74 119.88 1i02 s LYS 2 Ca 0.00 -1.19 0.02 0.00 0.00 0.00 0.00 55.97 54.80 1i02 s LYS 2 Cb 0.00 0.43 -0.03 0.00 0.00 0.00 0.00 37.83 38.23 1i02 s LYS 2 CO 0.00 -0.53 -0.07 0.00 0.00 0.00 0.00 175.35 174.75 1i02 n ASN 4 N 1.26 -1.13 -1.81 0.00 2.85 -1.26 -0.65 115.26 114.53 1i02 n ASN 4 Ca -0.21 0.63 0.00 0.00 -0.11 0.00 0.00 54.58 54.88 1i02 n ASN 4 Cb 0.56 -1.21 0.00 0.00 1.24 0.00 0.00 39.78 40.37 1i02 n ASN 4 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1i02 n LYS 5 N -0.57 1.02 0.18 1.20 4.76 0.82 -4.53 118.16 121.04 1i02 n LYS 5 Ca 0.10 0.00 0.14 0.00 -2.87 0.00 0.00 58.31 55.68 1i02 n LYS 5 Cb 0.49 0.00 0.46 0.00 -1.84 0.00 0.00 35.03 34.15 1i02 n LYS 5 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1i02 h LEU 6 N 0.00 0.00 -9.03 -0.35 3.38 -1.85 -3.43 115.31 104.03 1i02 h LEU 6 Ca 0.00 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.30 1i02 h LEU 6 Cb 0.00 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 40.55 1i02 h LEU 6 CO 0.00 0.00 -0.68 -0.69 0.09 0.00 0.00 178.44 177.16 1i02 s VAL 7 N -3.33 3.80 -0.31 1.22 1.01 -1.26 -4.99 120.40 116.53 1i02 s VAL 7 Ca 0.06 -0.43 -0.03 0.00 0.00 0.00 0.00 61.98 61.58 1i02 s VAL 7 Cb 0.09 -2.59 -0.07 0.00 0.00 0.00 0.00 36.38 33.81 1i02 s VAL 7 CO 0.53 0.57 1.78 -0.81 0.00 0.00 0.00 175.10 177.16 1i02 n PRO 8 N 2.61 1.13 0.00 2.72 -0.05 -1.26 -3.19 135.00 136.96 1i02 n PRO 8 Ca -0.18 -0.78 0.00 0.00 -0.05 0.00 0.00 63.50 62.50 1i02 n PRO 8 Cb 0.53 -2.00 0.00 0.00 -0.05 0.00 0.00 33.50 31.98 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 3.58 0.00 -4.77 1.53 4.77 -1.26 -5.12 117.00 115.73 1i02 n LEU 9 Ca 0.24 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.90 1i02 n LEU 9 Cb 0.24 0.11 -0.07 0.00 -2.33 0.00 0.00 43.42 41.37 1i02 n LEU 9 CO 0.41 -0.26 -0.22 0.72 -1.33 0.00 0.00 177.39 176.71 1i02 s PHE 10 N -1.52 1.90 0.26 -1.77 -0.71 -1.19 -5.02 117.98 109.93 1i02 s PHE 10 Ca 0.00 -0.91 -0.10 0.00 -1.04 0.00 0.00 56.93 54.87 1i02 s PHE 10 Cb 0.00 -1.66 -0.01 0.00 -1.21 0.00 0.00 43.02 40.14 1i02 s PHE 10 CO 0.00 0.17 0.44 1.52 -1.34 0.00 0.00 175.22 176.01 1i02 s TYR 11 N -2.85 0.54 0.40 3.49 1.13 -1.26 -0.13 117.35 118.67 1i02 s TYR 11 Ca 0.12 -0.88 0.02 0.00 -1.41 0.00 0.00 57.07 54.92 1i02 s TYR 11 Cb 0.02 0.08 -0.01 0.00 -1.10 0.00 0.00 41.96 40.95 1i02 s TYR 11 CO 0.06 -0.98 0.07 1.17 -2.51 0.00 0.00 175.55 173.36 1i02 n LYS 12 N -0.39 0.78 -2.94 -3.49 0.00 0.18 -4.79 118.16 107.50 1i02 n LYS 12 Ca -0.01 -3.11 -0.20 0.00 0.00 0.00 0.00 58.31 54.99 1i02 n LYS 12 Cb 0.62 1.26 0.06 0.00 0.00 0.00 0.00 35.03 36.97 1i02 n LYS 12 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 1i02 s THR 13 N -2.74 2.28 -0.01 3.15 -1.32 -1.26 0.43 115.64 116.17 1i02 s THR 13 Ca 0.09 -0.92 0.02 0.00 -1.21 0.00 0.00 61.69 59.68 1i02 s THR 13 Cb 0.00 -2.37 -0.00 0.00 -1.51 0.00 0.00 72.50 68.63 1i02 s THR 13 CO 0.07 0.00 -0.07 0.00 -2.21 0.00 0.00 174.62 172.41 1i02 s PRO 15 N -0.00 -0.01 0.70 0.00 0.02 -1.26 -4.19 135.00 130.25 1i02 s PRO 15 Ca 0.00 0.65 -0.15 0.00 0.02 0.00 0.00 61.00 61.52 1i02 s PRO 15 Cb -0.04 -1.67 0.02 0.00 0.02 0.00 0.00 34.50 32.82 1i02 s PRO 15 CO -0.00 -3.06 1.17 0.00 -0.33 0.00 0.00 177.00 174.77 1i02 s ALA 16 N -2.79 2.27 0.00 -1.55 0.00 -1.26 -2.42 121.76 116.02 1i02 s ALA 16 Ca 0.66 0.76 0.00 0.00 0.00 0.00 0.00 51.96 53.39 1i02 s ALA 16 Cb -0.21 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.50 1i02 s ALA 16 CO 0.60 -1.61 0.00 0.41 0.00 0.00 0.00 175.76 175.16 1i02 n GLY 17 N 0.07 2.23 2.89 0.00 0.00 -1.26 -4.93 105.19 104.18 1i02 n GLY 17 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 1i02 n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i02 s LYS 18 N -0.01 1.57 0.00 1.61 1.02 -1.01 -4.37 119.74 118.55 1i02 s LYS 18 Ca 0.00 -2.15 0.22 0.00 0.02 0.00 0.00 55.97 54.06 1i02 s LYS 18 Cb 0.00 -2.94 0.56 0.00 -0.52 0.00 0.00 37.83 34.93 1i02 s LYS 18 CO 0.00 -1.07 1.48 -1.71 -0.92 0.00 0.00 175.35 173.13 1i02 n ASN 19 N 3.66 3.75 -4.66 2.83 2.85 -1.23 -4.53 115.26 117.92 1i02 n ASN 19 Ca 0.05 -1.99 -0.26 0.00 -0.11 0.00 0.00 54.58 52.27 1i02 n ASN 19 Cb 0.36 -0.40 -0.09 0.00 1.24 0.00 0.00 39.78 40.88 1i02 n ASN 19 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1i02 s LEU 20 N -1.13 2.99 0.12 1.20 1.02 -1.18 -0.92 118.68 120.78 1i02 s LEU 20 Ca 0.44 -1.16 0.11 0.00 0.02 0.00 0.00 54.13 53.54 1i02 s LEU 20 Cb 0.24 -1.22 -0.04 0.00 0.02 0.00 0.00 46.19 45.19 1i02 s LEU 20 CO 0.32 -0.42 -0.26 0.00 0.02 0.00 0.00 176.35 176.00 1i02 s TYR 22 N -1.06 2.68 -0.29 0.00 1.13 -0.41 -2.60 117.35 116.80 1i02 s TYR 22 Ca 0.13 -1.26 0.01 0.00 -1.41 0.00 0.00 57.07 54.54 1i02 s TYR 22 Cb -0.10 -1.82 0.06 0.00 -1.10 0.00 0.00 41.96 39.01 1i02 s TYR 22 CO 0.06 -0.57 -0.03 -1.59 -2.51 0.00 0.00 175.55 170.91 1i02 s LYS 23 N 0.76 2.20 -0.13 -3.49 -2.85 -0.65 -2.03 119.74 113.55 1i02 s LYS 23 Ca -0.08 -1.41 -0.11 0.00 -1.00 0.00 0.00 55.97 53.36 1i02 s LYS 23 Cb -0.16 -3.07 -0.05 0.00 -2.06 0.00 0.00 37.83 32.49 1i02 s LYS 23 CO -0.00 -0.66 0.24 -1.64 0.10 0.00 0.00 175.35 173.39 1i02 s MET 24 N 1.13 3.96 0.12 1.78 -1.94 -0.88 -1.44 119.30 122.03 1i02 s MET 24 Ca -0.04 0.03 0.02 0.00 -1.71 0.00 0.00 55.69 53.99 1i02 s MET 24 Cb -0.20 -3.32 -0.01 0.00 2.01 0.00 0.00 34.83 33.31 1i02 s MET 24 CO -0.04 0.48 0.12 1.97 -0.01 0.00 0.00 175.02 177.54 1i02 n PHE 25 N 2.81 -0.42 -3.76 -0.03 1.16 0.10 0.28 117.46 117.61 1i02 n PHE 25 Ca -0.15 -0.98 -0.35 0.00 -1.87 0.00 0.00 57.45 54.10 1i02 n PHE 25 Cb 0.53 0.13 -0.05 0.00 -1.61 0.00 0.00 39.48 38.48 1i02 n PHE 25 CO 0.00 0.00 0.00 -1.64 -1.87 0.00 0.00 176.76 173.25 1i02 s MET 26 N -2.44 3.58 0.19 3.97 -1.94 -1.26 -0.19 119.30 121.21 1i02 s MET 26 Ca 0.14 -0.07 0.17 0.00 -1.71 0.00 0.00 55.69 54.22 1i02 s MET 26 Cb 0.00 -3.09 0.81 0.00 2.01 0.00 0.00 34.83 34.56 1i02 s MET 26 CO 0.10 0.65 1.52 0.28 -0.01 0.00 0.00 175.02 177.56 1i02 n VAL 27 N 1.17 1.17 -0.05 -6.03 0.31 -1.21 -1.86 118.33 111.83 1i02 n VAL 27 Ca -0.12 0.48 -0.16 0.00 -0.01 0.00 0.00 64.34 64.53 1i02 n VAL 27 Cb 0.53 -1.42 -0.06 0.00 -0.91 0.00 0.00 33.84 31.97 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 2.15 0.33 -2.05 3.52 0.00 -1.93 -3.37 119.26 117.91 1i02 h ALA 28 Ca 0.00 -0.53 -0.55 0.00 0.00 0.00 0.00 54.91 53.83 1i02 h ALA 28 Cb 0.14 -0.04 -0.40 0.00 0.00 0.00 0.00 17.79 17.49 1i02 h ALA 28 CO 0.00 0.57 -1.02 2.41 0.00 0.00 0.00 179.25 181.21 1i02 n THR 29 N -4.08 0.11 -0.19 0.00 -1.04 -0.78 -4.98 114.28 103.33 1i02 n THR 29 Ca -0.06 -4.41 0.00 0.00 -2.04 0.00 0.00 64.05 57.54 1i02 n THR 29 Cb 0.64 -1.63 0.00 0.00 -1.82 0.00 0.00 70.33 67.53 1i02 n THR 29 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1i02 n PRO 30 N 1.01 0.40 0.00 -2.82 -0.05 -0.87 -3.06 135.00 129.61 1i02 n PRO 30 Ca 0.24 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.69 1i02 n PRO 30 Cb 0.53 -1.30 0.00 0.00 -0.05 0.00 0.00 33.50 32.68 1i02 n PRO 30 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 175.50 177.08 1i02 n LYS 31 N 1.79 6.20 -3.36 0.54 5.02 -1.26 -4.88 118.16 122.21 1i02 n LYS 31 Ca 0.00 -0.05 -0.23 0.00 -2.02 0.00 0.00 58.31 56.01 1i02 n LYS 31 Cb 0.20 -0.55 -0.09 0.00 -0.02 0.00 0.00 35.03 34.57 1i02 n LYS 31 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1i02 s VAL 32 N -0.90 0.00 0.71 -0.18 1.01 -1.17 -5.13 120.40 114.75 1i02 s VAL 32 Ca 0.00 -1.83 -0.16 0.00 0.00 0.00 0.00 61.98 59.99 1i02 s VAL 32 Cb 0.00 -0.97 0.02 0.00 0.00 0.00 0.00 36.38 35.44 1i02 s VAL 32 CO 0.00 -0.91 1.24 -0.81 0.00 0.00 0.00 175.10 174.62 1i02 n PRO 33 N 3.56 0.73 0.04 2.72 -0.04 -1.26 -4.77 135.00 135.98 1i02 n PRO 33 Ca 0.19 0.31 0.12 0.00 -0.04 0.00 0.00 63.50 64.08 1i02 n PRO 33 Cb 0.44 -2.48 0.17 0.00 -0.04 0.00 0.00 33.50 31.60 1i02 n PRO 33 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1i02 n VAL 34 N -2.46 0.22 -4.27 0.52 0.24 0.80 -4.86 118.33 108.53 1i02 n VAL 34 Ca 0.15 -0.19 -0.18 0.00 -2.04 0.00 0.00 64.34 62.08 1i02 n VAL 34 Cb 0.49 0.03 -0.15 0.00 -1.47 0.00 0.00 33.84 32.74 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 -3.13 0.63 -0.21 7.34 -0.14 -1.10 -4.97 119.74 118.17 1i02 s LYS 35 Ca 0.07 -0.25 -0.02 0.00 -1.36 0.00 0.00 55.97 54.41 1i02 s LYS 35 Cb 0.15 -0.62 0.06 0.00 -1.68 0.00 0.00 37.83 35.74 1i02 s LYS 35 CO 0.73 0.13 0.03 1.03 -0.76 0.00 0.00 175.35 176.50 1i02 s ARG 36 N -0.03 0.77 0.00 1.68 3.00 -1.26 -2.06 118.95 121.05 1i02 s ARG 36 Ca 0.01 -0.53 0.00 0.00 0.00 0.00 0.00 55.73 55.21 1i02 s ARG 36 Cb -0.04 -2.16 0.00 0.00 0.00 0.00 0.00 34.95 32.74 1i02 s ARG 36 CO -0.00 -0.66 0.00 0.41 0.00 0.00 0.00 175.30 175.05 1i02 n GLY 37 N 4.99 4.31 3.31 -3.53 0.00 -0.86 -4.48 105.19 108.93 1i02 n GLY 37 Ca -0.09 -0.91 -0.31 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.48 1.16 -0.17 0.00 1.01 0.79 -4.74 121.20 118.78 1i02 s ILE 39 Ca 0.06 -2.01 -0.04 0.00 0.00 0.00 0.00 60.65 58.66 1i02 s ILE 39 Cb -0.11 -2.76 -0.09 0.00 0.01 0.00 0.00 42.46 39.51 1i02 s ILE 39 CO 0.01 -0.02 -0.19 -0.90 0.00 0.00 0.00 174.94 173.83 1i02 n ASP 40 N -0.66 1.97 -3.98 3.58 5.75 -1.26 -3.10 116.55 118.85 1i02 n ASP 40 Ca -0.02 0.07 -0.28 0.00 -0.01 0.00 0.00 54.79 54.54 1i02 n ASP 40 Cb 0.66 -0.40 -0.17 0.00 -1.03 0.00 0.00 41.12 40.19 1i02 n ASP 40 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1i02 s VAL 41 N -2.33 1.32 -0.18 2.12 1.01 -1.26 -4.85 120.40 116.24 1i02 s VAL 41 Ca -0.24 -0.49 -0.29 0.00 0.00 0.00 0.00 61.98 60.96 1i02 s VAL 41 Cb 0.08 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 1i02 s VAL 41 CO 0.35 0.42 1.73 0.00 0.00 0.00 0.00 175.10 177.59 1i02 s PRO 43 N 4.78 -2.22 0.57 0.00 0.02 -1.26 -5.05 135.00 131.83 1i02 s PRO 43 Ca 0.77 0.24 0.06 0.00 0.02 0.00 0.00 61.00 62.09 1i02 s PRO 43 Cb -0.29 -1.45 0.06 0.00 0.02 0.00 0.00 34.50 32.84 1i02 s PRO 43 CO 0.31 -4.44 0.49 -1.59 -0.33 0.00 0.00 177.00 171.45 1i02 s LYS 44 N -5.00 2.23 0.53 5.54 -2.85 -1.26 -4.90 119.74 114.02 1i02 s LYS 44 Ca 0.69 -2.01 -0.21 0.00 -1.00 0.00 0.00 55.97 53.43 1i02 s LYS 44 Cb -0.15 -2.18 -0.05 0.00 -2.06 0.00 0.00 37.83 33.39 1i02 s LYS 44 CO 0.59 -0.74 1.27 0.45 0.10 0.00 0.00 175.35 177.01 1i02 s SER 45 N -4.39 5.54 0.00 0.03 0.15 -1.26 -4.76 113.70 109.00 1i02 s SER 45 Ca 0.37 2.54 0.00 0.00 0.70 0.00 0.00 55.95 59.57 1i02 s SER 45 Cb -0.03 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 1i02 s SER 45 CO 0.24 -1.37 0.00 -0.24 1.20 0.00 0.00 173.24 173.07 1i02 n SER 46 N -0.97 0.00 0.22 5.45 2.88 -0.46 -4.97 113.62 115.78 1i02 n SER 46 Ca 0.10 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.49 1i02 n SER 46 Cb 0.47 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.85 1i02 n SER 46 CO 0.00 0.00 0.00 0.17 -1.23 0.00 0.00 175.04 173.98 1i02 h LEU 47 N 0.00 -0.46 -2.18 2.46 -0.00 -2.03 -3.39 115.31 109.71 1i02 h LEU 47 Ca 0.00 -0.06 -0.07 0.00 -0.00 0.00 0.00 57.88 57.75 1i02 h LEU 47 Cb 0.00 0.12 -0.14 0.00 -0.00 0.00 0.00 40.66 40.64 1i02 h LEU 47 CO 0.00 -0.23 -0.58 -0.11 -0.00 0.00 0.00 178.44 177.52 1i02 n LEU 48 N -5.27 0.22 -4.42 0.17 7.94 -1.26 -5.10 117.00 109.28 1i02 n LEU 48 Ca -0.11 -1.42 -0.26 0.00 -1.11 0.00 0.00 56.01 53.12 1i02 n LEU 48 Cb 0.26 0.00 -0.11 0.00 0.53 0.00 0.00 43.42 44.10 1i02 n LEU 48 CO 0.34 0.56 -0.51 0.54 -1.11 0.00 0.00 177.39 177.21 1i02 s VAL 49 N 0.00 2.30 -0.10 1.96 0.11 -1.26 -3.35 120.40 120.05 1i02 s VAL 49 Ca 0.11 -2.09 -0.11 0.00 -2.93 0.00 0.00 61.98 56.95 1i02 s VAL 49 Cb 0.12 -2.12 0.03 0.00 -1.53 0.00 0.00 36.38 32.88 1i02 s VAL 49 CO -0.05 -0.20 0.31 -0.75 -3.33 0.00 0.00 175.10 171.07 1i02 s LYS 50 N -2.86 0.40 0.18 1.54 2.20 0.74 -1.35 119.74 120.59 1i02 s LYS 50 Ca 0.22 0.36 0.07 0.00 -0.36 0.00 0.00 55.97 56.26 1i02 s LYS 50 Cb -0.07 0.19 -0.04 0.00 -1.51 0.00 0.00 37.83 36.40 1i02 s LYS 50 CO 0.10 -0.06 -0.15 0.71 -0.36 0.00 0.00 175.35 175.60 1i02 s TYR 51 N -0.02 1.64 0.01 4.03 2.02 -1.26 0.02 117.35 123.79 1i02 s TYR 51 Ca -0.02 -0.57 0.06 0.00 -0.37 0.00 0.00 57.07 56.17 1i02 s TYR 51 Cb -0.03 -0.79 -0.03 0.00 -0.40 0.00 0.00 41.96 40.72 1i02 s TYR 51 CO 0.01 0.30 -0.16 0.08 -1.57 0.00 0.00 175.55 174.21 1i02 s VAL 52 N -2.74 2.95 -0.05 0.71 1.01 -0.52 -4.87 120.40 116.89 1i02 s VAL 52 Ca 0.19 -1.00 0.04 0.00 0.00 0.00 0.00 61.98 61.20 1i02 s VAL 52 Cb -0.02 -2.22 0.00 0.00 0.00 0.00 0.00 36.38 34.15 1i02 s VAL 52 CO 0.06 0.42 -0.16 0.00 0.00 0.00 0.00 175.10 175.42 1i02 n ASN 55 N 3.25 6.36 -0.82 0.00 6.94 -1.26 -1.86 115.26 127.87 1i02 n ASN 55 Ca -0.18 -3.13 0.00 0.00 -0.02 0.00 0.00 54.58 51.25 1i02 n ASN 55 Cb 0.53 -1.42 0.00 0.00 -2.36 0.00 0.00 39.78 36.52 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 2.60 0.00 -4.50 5.53 -1.04 -0.10 -4.83 114.28 111.94 1i02 n THR 56 Ca 0.49 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 62.16 1i02 n THR 56 Cb 0.31 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.71 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 -0.55 4.83 -1.40 8.00 2.15 -1.26 -4.42 116.67 124.02 1i02 s ASP 57 Ca 0.00 -0.02 -0.02 0.00 0.43 0.00 0.00 52.55 52.94 1i02 s ASP 57 Cb 0.00 -1.43 0.02 0.00 -0.30 0.00 0.00 42.92 41.21 1i02 s ASP 57 CO 0.00 0.31 0.60 0.54 -0.17 0.00 0.00 175.17 176.45 1i02 n ARG 58 N 2.60 -4.11 -0.93 4.34 5.12 0.16 -4.87 116.66 118.97 1i02 n ARG 58 Ca -0.18 0.50 -0.03 0.00 -1.93 0.00 0.00 57.85 56.21 1i02 n ARG 58 Cb 0.53 -4.90 0.17 0.00 -1.16 0.00 0.00 32.46 27.10 1i02 n ARG 58 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70