#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 0.04 -0.01 1.96 3.01 -1.26 0.03 119.74 123.51 1i02 s LYS 2 Ca 0.00 0.23 0.07 0.00 -1.01 0.00 0.00 55.97 55.26 1i02 s LYS 2 Cb 0.00 -0.15 -0.02 0.00 -1.01 0.00 0.00 37.83 36.65 1i02 s LYS 2 CO 0.00 -0.12 -0.23 0.00 0.51 0.00 0.00 175.35 175.51 1i02 n ASN 4 N 2.18 -0.24 -4.91 0.00 2.85 -1.26 -1.89 115.26 111.98 1i02 n ASN 4 Ca -0.16 1.01 -0.23 0.00 -0.11 0.00 0.00 54.58 55.09 1i02 n ASN 4 Cb 0.52 -1.15 0.06 0.00 1.24 0.00 0.00 39.78 40.44 1i02 n ASN 4 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1i02 s LYS 5 N -1.53 2.30 0.58 1.20 -0.14 -0.02 -4.23 119.74 117.90 1i02 s LYS 5 Ca 0.62 -0.63 0.30 0.00 -1.36 0.00 0.00 55.97 54.91 1i02 s LYS 5 Cb -0.66 -2.35 1.38 0.00 -1.68 0.00 0.00 37.83 34.52 1i02 s LYS 5 CO 0.58 -1.00 1.75 1.25 -0.76 0.00 0.00 175.35 177.16 1i02 h LEU 6 N -0.26 0.00 -9.46 3.17 6.46 -1.86 -3.38 115.31 109.98 1i02 h LEU 6 Ca -0.42 0.00 -0.63 0.00 -0.12 0.00 0.00 57.88 56.70 1i02 h LEU 6 Cb 1.30 0.00 -0.09 0.00 -0.73 0.00 0.00 40.66 41.14 1i02 h LEU 6 CO 0.53 0.00 -0.47 -0.69 -0.62 0.00 0.00 178.44 177.20 1i02 s VAL 7 N -4.65 5.44 -0.21 1.05 1.01 -1.26 -4.94 120.40 116.84 1i02 s VAL 7 Ca -0.04 0.24 -0.03 0.00 0.00 0.00 0.00 61.98 62.15 1i02 s VAL 7 Cb 0.17 -3.45 -0.10 0.00 0.00 0.00 0.00 36.38 32.99 1i02 s VAL 7 CO 0.59 0.52 1.92 -0.81 0.00 0.00 0.00 175.10 177.32 1i02 n PRO 8 N 2.76 1.13 0.00 2.72 -0.05 -1.26 -3.27 135.00 137.02 1i02 n PRO 8 Ca -0.18 -0.68 0.00 0.00 -0.05 0.00 0.00 63.50 62.59 1i02 n PRO 8 Cb 0.53 -1.91 0.00 0.00 -0.05 0.00 0.00 33.50 32.08 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 3.22 0.00 0.00 1.53 7.99 -1.26 -5.12 117.00 123.35 1i02 n LEU 9 Ca 0.24 0.00 -0.10 0.00 -0.01 0.00 0.00 56.01 56.14 1i02 n LEU 9 Cb 0.33 0.20 -0.01 0.00 -0.11 0.00 0.00 43.42 43.82 1i02 n LEU 9 CO 0.32 -0.41 -0.04 2.22 -1.51 0.00 0.00 177.39 177.98 1i02 n PHE 10 N -2.31 -0.20 -2.66 -1.77 -1.74 -1.20 -5.02 117.46 102.55 1i02 n PHE 10 Ca 0.00 -0.78 0.00 0.00 -0.56 0.00 0.00 57.45 56.11 1i02 n PHE 10 Cb 0.00 -0.12 0.00 0.00 1.52 0.00 0.00 39.48 40.88 1i02 n PHE 10 CO 0.00 0.00 0.00 2.48 -0.56 0.00 0.00 176.76 178.68 1i02 n TYR 11 N -0.59 -0.08 -4.22 2.97 0.18 -1.26 -0.84 117.16 113.32 1i02 n TYR 11 Ca -0.05 0.00 -0.15 0.00 1.88 0.00 0.00 57.90 59.59 1i02 n TYR 11 Cb 0.20 0.00 -0.09 0.00 -0.38 0.00 0.00 39.34 39.08 1i02 n TYR 11 CO 0.00 0.00 0.00 0.21 -2.08 0.00 0.00 176.86 174.99 1i02 s LYS 12 N 0.54 1.44 0.41 -3.48 2.20 -0.79 -4.66 119.74 115.41 1i02 s LYS 12 Ca 0.00 -1.76 0.06 0.00 -0.36 0.00 0.00 55.97 53.91 1i02 s LYS 12 Cb 0.00 0.30 0.01 0.00 -1.51 0.00 0.00 37.83 36.63 1i02 s LYS 12 CO 0.00 -0.51 0.57 0.99 -0.36 0.00 0.00 175.35 176.04 1i02 s THR 13 N -3.85 3.38 -0.03 3.43 2.01 -1.26 -1.86 115.64 117.46 1i02 s THR 13 Ca 0.39 -0.92 -0.08 0.00 0.31 0.00 0.00 61.69 61.40 1i02 s THR 13 Cb 0.05 -3.17 0.01 0.00 0.01 0.00 0.00 72.50 69.40 1i02 s THR 13 CO 0.18 -0.08 0.18 0.00 -0.69 0.00 0.00 174.62 174.21 1i02 s PRO 15 N -0.67 -0.85 0.57 0.00 0.04 -1.26 -3.90 135.00 128.93 1i02 s PRO 15 Ca -0.08 0.66 -0.20 0.00 0.04 0.00 0.00 61.00 61.43 1i02 s PRO 15 Cb -0.04 -1.58 -0.04 0.00 0.04 0.00 0.00 34.50 32.88 1i02 s PRO 15 CO 0.01 -3.63 1.22 0.00 0.04 0.00 0.00 177.00 174.64 1i02 s ALA 16 N -2.58 2.64 0.00 8.56 0.00 -1.26 -2.93 121.76 126.19 1i02 s ALA 16 Ca 0.68 1.04 0.00 0.00 0.00 0.00 0.00 51.96 53.68 1i02 s ALA 16 Cb -0.23 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.44 1i02 s ALA 16 CO 0.63 -1.12 0.00 0.41 0.00 0.00 0.00 175.76 175.68 1i02 n GLY 17 N 0.52 3.09 3.35 0.00 0.00 -1.26 -4.97 105.19 105.93 1i02 n GLY 17 Ca 0.12 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.33 3.66 0.00 1.61 2.20 -1.15 -4.75 119.74 120.98 1i02 s LYS 18 Ca 0.00 -2.40 0.22 0.00 -0.36 0.00 0.00 55.97 53.42 1i02 s LYS 18 Cb 0.00 -4.53 0.21 0.00 -1.51 0.00 0.00 37.83 32.00 1i02 s LYS 18 CO 0.00 -1.38 1.22 0.27 -0.36 0.00 0.00 175.35 175.10 1i02 n ASN 19 N 4.34 2.90 -4.95 1.43 6.94 -1.26 -4.79 115.26 119.87 1i02 n ASN 19 Ca 0.17 -1.92 -0.23 0.00 -0.02 0.00 0.00 54.58 52.59 1i02 n ASN 19 Cb 0.47 -0.04 0.01 0.00 -2.36 0.00 0.00 39.78 37.86 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 -1.74 3.64 0.03 -4.53 2.96 -0.78 0.30 118.68 118.55 1i02 s LEU 20 Ca 0.27 0.25 0.02 0.00 -0.22 0.00 0.00 54.13 54.45 1i02 s LEU 20 Cb 0.19 -3.13 -0.02 0.00 0.50 0.00 0.00 46.19 43.72 1i02 s LEU 20 CO 0.28 -0.72 -0.07 0.00 -1.32 0.00 0.00 176.35 174.52 1i02 s TYR 22 N -1.08 1.19 -0.21 0.00 1.13 0.15 -1.83 117.35 116.71 1i02 s TYR 22 Ca -0.08 -0.59 -0.04 0.00 -1.41 0.00 0.00 57.07 54.95 1i02 s TYR 22 Cb -0.08 -0.64 0.09 0.00 -1.10 0.00 0.00 41.96 40.22 1i02 s TYR 22 CO 0.00 0.06 0.18 -1.59 -2.51 0.00 0.00 175.55 171.69 1i02 s LYS 23 N -2.58 0.16 -0.16 -3.49 -2.85 -1.04 -0.76 119.74 109.01 1i02 s LYS 23 Ca 0.05 0.03 -0.09 0.00 -1.00 0.00 0.00 55.97 54.96 1i02 s LYS 23 Cb -0.05 -1.37 -0.05 0.00 -2.06 0.00 0.00 37.83 34.30 1i02 s LYS 23 CO 0.01 -0.72 0.14 1.41 0.10 0.00 0.00 175.35 176.30 1i02 s MET 24 N 2.25 3.86 0.13 1.78 1.75 -0.47 -2.09 119.30 126.51 1i02 s MET 24 Ca 0.06 -0.17 0.03 0.00 -1.25 0.00 0.00 55.69 54.35 1i02 s MET 24 Cb -0.16 -3.32 -0.01 0.00 2.84 0.00 0.00 34.83 34.19 1i02 s MET 24 CO -0.15 0.51 0.10 1.97 -0.65 0.00 0.00 175.02 176.80 1i02 n PHE 25 N 2.83 -0.22 -3.21 4.11 1.16 -0.65 0.31 117.46 121.79 1i02 n PHE 25 Ca -0.18 -1.07 -0.40 0.00 -1.87 0.00 0.00 57.45 53.94 1i02 n PHE 25 Cb 0.53 0.09 -0.07 0.00 -1.61 0.00 0.00 39.48 38.42 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 -2.54 4.15 0.48 3.97 -1.94 -1.26 -2.37 119.30 119.79 1i02 s MET 26 Ca 0.14 0.43 0.38 0.00 -1.71 0.00 0.00 55.69 54.93 1i02 s MET 26 Cb 0.01 -3.60 1.30 0.00 2.01 0.00 0.00 34.83 34.55 1i02 s MET 26 CO 0.10 -0.26 1.27 0.28 -0.01 0.00 0.00 175.02 176.40 1i02 n VAL 27 N 4.83 0.00 -0.12 -6.03 0.31 -0.78 0.40 118.33 116.94 1i02 n VAL 27 Ca -0.04 1.22 -0.05 0.00 -0.01 0.00 0.00 64.34 65.46 1i02 n VAL 27 Cb 0.50 -2.06 0.01 0.00 -0.91 0.00 0.00 33.84 31.38 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 0.74 0.20 -3.05 3.52 0.00 -1.91 -3.27 119.26 115.50 1i02 h ALA 28 Ca 0.71 0.15 -0.62 0.00 0.00 0.00 0.00 54.91 55.15 1i02 h ALA 28 Cb 3.05 0.38 -0.41 0.00 0.00 0.00 0.00 17.79 20.81 1i02 h ALA 28 CO -0.01 -0.50 -0.68 0.99 0.00 0.00 0.00 179.25 179.06 1i02 s THR 29 N -6.19 2.13 -0.05 0.00 2.01 0.16 -4.96 115.64 108.75 1i02 s THR 29 Ca -0.14 -3.42 0.00 0.00 0.31 0.00 0.00 61.69 58.44 1i02 s THR 29 Cb 0.15 -2.45 0.00 0.00 0.01 0.00 0.00 72.50 70.21 1i02 s THR 29 CO 0.71 -0.96 0.56 -0.81 -0.69 0.00 0.00 174.62 173.43 1i02 n PRO 30 N 2.75 0.58 0.00 4.92 -0.05 -1.24 -2.87 135.00 139.08 1i02 n PRO 30 Ca 0.15 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.60 1i02 n PRO 30 Cb 0.36 -1.22 0.00 0.00 -0.05 0.00 0.00 33.50 32.59 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 0.69 4.13 -3.70 0.54 4.76 -1.26 -4.89 118.16 118.42 1i02 n LYS 31 Ca 0.00 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 55.16 1i02 n LYS 31 Cb 0.28 -0.57 -0.12 0.00 -1.84 0.00 0.00 35.03 32.79 1i02 n LYS 31 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1i02 s VAL 32 N -1.06 1.71 0.57 -0.18 1.01 -1.14 -5.11 120.40 116.21 1i02 s VAL 32 Ca 0.00 -3.29 -0.21 0.00 0.00 0.00 0.00 61.98 58.48 1i02 s VAL 32 Cb 0.00 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 1i02 s VAL 32 CO 0.00 -1.04 1.35 -2.16 0.00 0.00 0.00 175.10 173.25 1i02 s PRO 33 N -0.47 2.96 0.02 2.72 0.04 -1.26 -4.71 135.00 134.30 1i02 s PRO 33 Ca 0.25 2.22 0.25 0.00 0.04 0.00 0.00 61.00 63.75 1i02 s PRO 33 Cb -0.08 -2.15 0.46 0.00 0.04 0.00 0.00 34.50 32.77 1i02 s PRO 33 CO -0.12 -1.32 1.38 1.33 0.04 0.00 0.00 177.00 178.30 1i02 n VAL 34 N -1.27 0.05 -4.09 -0.36 0.24 0.90 -4.83 118.33 108.98 1i02 n VAL 34 Ca 0.12 -0.04 -0.15 0.00 -2.04 0.00 0.00 64.34 62.23 1i02 n VAL 34 Cb 0.46 0.22 -0.14 0.00 -1.47 0.00 0.00 33.84 32.90 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 -3.03 0.35 -0.28 7.34 -0.14 -0.84 -4.94 119.74 118.20 1i02 s LYS 35 Ca 0.10 -0.23 0.00 0.00 -1.36 0.00 0.00 55.97 54.48 1i02 s LYS 35 Cb 0.17 -0.30 0.14 0.00 -1.68 0.00 0.00 37.83 36.16 1i02 s LYS 35 CO 0.71 0.08 0.35 0.50 -0.76 0.00 0.00 175.35 176.23 1i02 s ARG 36 N -0.31 0.36 0.00 1.68 3.52 -1.25 -1.37 118.95 121.58 1i02 s ARG 36 Ca -0.00 0.05 0.00 0.00 -0.13 0.00 0.00 55.73 55.65 1i02 s ARG 36 Cb -0.03 -0.51 0.00 0.00 -1.56 0.00 0.00 34.95 32.86 1i02 s ARG 36 CO -0.00 -0.98 0.00 0.41 -0.81 0.00 0.00 175.30 173.92 1i02 n GLY 37 N 5.33 4.91 3.59 8.12 0.00 0.06 -3.82 105.19 123.38 1i02 n GLY 37 Ca -0.01 -0.87 -0.34 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.55 1.73 -0.12 0.00 1.01 0.13 -4.72 121.20 118.67 1i02 s ILE 39 Ca 0.09 -1.92 0.07 0.00 0.00 0.00 0.00 60.65 58.89 1i02 s ILE 39 Cb -0.12 -1.81 -0.10 0.00 0.01 0.00 0.00 42.46 40.43 1i02 s ILE 39 CO 0.02 -0.36 0.21 -0.67 0.00 0.00 0.00 174.94 174.14 1i02 n ASP 40 N 0.26 2.28 -3.45 3.58 -0.08 -1.26 -1.86 116.55 116.01 1i02 n ASP 40 Ca -0.13 -0.23 -0.16 0.00 -1.51 0.00 0.00 54.79 52.76 1i02 n ASP 40 Cb 0.57 1.22 -0.12 0.00 2.34 0.00 0.00 41.12 45.14 1i02 n ASP 40 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1i02 s VAL 41 N -2.23 -0.40 -0.16 5.18 0.11 -1.26 -4.96 120.40 116.68 1i02 s VAL 41 Ca -0.01 -0.10 -0.29 0.00 -2.93 0.00 0.00 61.98 58.65 1i02 s VAL 41 Cb 0.05 -0.72 -0.06 0.00 -1.53 0.00 0.00 36.38 34.12 1i02 s VAL 41 CO 0.30 -0.18 2.17 0.00 -3.33 0.00 0.00 175.10 174.06 1i02 s PRO 43 N 5.93 -0.67 0.45 0.00 0.02 -1.26 -5.02 135.00 134.45 1i02 s PRO 43 Ca 0.98 0.34 -0.05 0.00 0.02 0.00 0.00 61.00 62.29 1i02 s PRO 43 Cb -0.36 -1.62 -0.04 0.00 0.02 0.00 0.00 34.50 32.50 1i02 s PRO 43 CO 0.37 -3.43 0.75 0.15 -0.33 0.00 0.00 177.00 174.51 1i02 s LYS 44 N -5.02 3.57 0.02 5.54 -0.14 -1.26 -4.97 119.74 117.48 1i02 s LYS 44 Ca 0.68 0.17 0.03 0.00 -1.36 0.00 0.00 55.97 55.50 1i02 s LYS 44 Cb -0.17 -2.42 -0.04 0.00 -1.68 0.00 0.00 37.83 33.53 1i02 s LYS 44 CO 0.58 -0.13 -0.05 -1.12 -0.76 0.00 0.00 175.35 173.88 1i02 s SER 45 N -3.94 4.77 0.49 2.83 0.01 -1.26 -4.85 113.70 111.74 1i02 s SER 45 Ca 0.47 -0.14 0.07 0.00 1.31 0.00 0.00 55.95 57.66 1i02 s SER 45 Cb -0.10 -1.13 0.02 0.00 0.21 0.00 0.00 66.02 65.02 1i02 s SER 45 CO 0.42 0.26 0.49 -0.55 0.41 0.00 0.00 173.24 174.27 1i02 s SER 46 N -1.64 4.98 0.21 2.44 0.15 -0.21 -4.97 113.70 114.67 1i02 s SER 46 Ca 0.19 -0.90 0.16 0.00 0.70 0.00 0.00 55.95 56.10 1i02 s SER 46 Cb -0.11 -0.08 0.81 0.00 -1.71 0.00 0.00 66.02 64.92 1i02 s SER 46 CO 0.10 -0.95 1.48 0.18 1.20 0.00 0.00 173.24 175.24 1i02 n LEU 47 N -1.79 0.39 -0.09 3.45 4.77 -1.26 -3.15 117.00 119.33 1i02 n LEU 47 Ca 0.05 0.67 -0.18 0.00 -0.03 0.00 0.00 56.01 56.52 1i02 n LEU 47 Cb 0.62 -0.70 -0.06 0.00 -2.33 0.00 0.00 43.42 40.95 1i02 n LEU 47 CO 0.40 -0.76 -1.08 0.18 -1.33 0.00 0.00 177.39 174.81 1i02 n LEU 48 N -2.02 1.23 -4.90 2.23 4.77 -1.26 -4.76 117.00 112.30 1i02 n LEU 48 Ca -0.00 0.21 -0.33 0.00 -0.03 0.00 0.00 56.01 55.86 1i02 n LEU 48 Cb 0.05 -0.51 -0.05 0.00 -2.33 0.00 0.00 43.42 40.58 1i02 n LEU 48 CO 0.08 0.34 -0.07 0.68 -1.33 0.00 0.00 177.39 177.09 1i02 s VAL 49 N -2.33 5.30 -0.14 4.08 -7.23 -1.19 -1.87 120.40 117.03 1i02 s VAL 49 Ca -0.24 -0.05 -0.05 0.00 -1.81 0.00 0.00 61.98 59.83 1i02 s VAL 49 Cb 0.09 -3.60 0.07 0.00 0.56 0.00 0.00 36.38 33.50 1i02 s VAL 49 CO 0.30 0.21 0.28 -0.75 -0.31 0.00 0.00 175.10 174.83 1i02 s LYS 50 N -2.23 0.17 -0.02 4.82 2.47 -1.00 -1.04 119.74 122.91 1i02 s LYS 50 Ca 0.33 0.73 0.07 0.00 -1.56 0.00 0.00 55.97 55.55 1i02 s LYS 50 Cb -0.13 -0.10 -0.02 0.00 -1.46 0.00 0.00 37.83 36.13 1i02 s LYS 50 CO 0.22 -0.32 -0.23 1.52 0.16 0.00 0.00 175.35 176.69 1i02 s TYR 51 N 2.44 2.12 0.43 4.03 1.13 -1.26 -1.64 117.35 124.60 1i02 s TYR 51 Ca 0.02 -0.42 -0.02 0.00 -1.41 0.00 0.00 57.07 55.23 1i02 s TYR 51 Cb -0.12 -1.37 -0.03 0.00 -1.10 0.00 0.00 41.96 39.34 1i02 s TYR 51 CO -0.09 -0.05 0.68 0.08 -2.51 0.00 0.00 175.55 173.66 1i02 s VAL 52 N -0.51 4.73 -0.07 -3.49 1.01 -0.89 -4.81 120.40 116.38 1i02 s VAL 52 Ca 0.08 -0.19 -0.03 0.00 0.00 0.00 0.00 61.98 61.84 1i02 s VAL 52 Cb -0.09 -3.77 0.04 0.00 0.00 0.00 0.00 36.38 32.56 1i02 s VAL 52 CO -0.01 -0.62 0.13 0.00 0.00 0.00 0.00 175.10 174.60 1i02 n ASN 55 N 3.05 7.03 0.00 0.00 2.04 -1.26 -0.10 115.26 126.02 1i02 n ASN 55 Ca -0.18 -3.13 0.00 0.00 -0.44 0.00 0.00 54.58 50.83 1i02 n ASN 55 Cb 0.52 -1.40 0.00 0.00 -2.53 0.00 0.00 39.78 36.37 1i02 n ASN 55 CO 0.00 0.00 0.00 0.35 -0.44 0.00 0.00 177.26 177.17 1i02 n THR 56 N 2.27 0.00 -4.84 5.53 -2.24 0.15 -4.75 114.28 110.39 1i02 n THR 56 Ca 0.54 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.99 1i02 n THR 56 Cb 0.29 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.38 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 1.50 4.01 -1.44 3.42 -1.08 -1.26 -4.26 116.67 117.56 1i02 s ASP 57 Ca 0.00 -0.26 -0.00 0.00 -0.52 0.00 0.00 52.55 51.76 1i02 s ASP 57 Cb 0.00 -1.23 0.00 0.00 -1.46 0.00 0.00 42.92 40.23 1i02 s ASP 57 CO 0.00 0.25 0.03 0.54 0.52 0.00 0.00 175.17 176.51 1i02 n ARG 58 N 2.92 -2.08 0.00 4.34 5.12 -0.63 -4.82 116.66 121.52 1i02 n ARG 58 Ca -0.18 0.81 0.13 0.00 -1.93 0.00 0.00 57.85 56.68 1i02 n ARG 58 Cb 0.52 -5.46 0.27 0.00 -1.16 0.00 0.00 32.46 26.63 1i02 n ARG 58 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70