#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cdx s LYS 2 N 0.00 0.36 0.00 1.96 3.01 -1.26 -1.20 119.74 122.60 2cdx s LYS 2 Ca 0.00 -0.44 0.00 0.00 -1.01 0.00 0.00 55.97 54.52 2cdx s LYS 2 Cb 0.00 -0.84 0.00 0.00 -1.01 0.00 0.00 37.83 35.98 2cdx s LYS 2 CO 0.00 -1.07 0.00 0.00 0.51 0.00 0.00 175.35 174.79 2cdx s ASN 4 N -0.81 2.41 1.18 0.00 0.01 -1.25 -4.12 114.94 112.36 2cdx s ASN 4 Ca 0.00 -0.40 -0.19 0.00 -0.71 0.00 0.00 52.86 51.56 2cdx s ASN 4 Cb 0.00 -1.02 0.28 0.00 0.41 0.00 0.00 41.25 40.92 2cdx s ASN 4 CO 0.00 -0.06 1.15 -1.59 -1.51 0.00 0.00 177.10 175.09 2cdx s LYS 5 N 1.44 -1.05 0.09 -0.60 -2.85 -1.25 -4.53 119.74 111.00 2cdx s LYS 5 Ca 0.02 -0.19 -0.28 0.00 -1.00 0.00 0.00 55.97 54.52 2cdx s LYS 5 Cb -0.13 -1.63 -0.14 0.00 -2.06 0.00 0.00 37.83 33.87 2cdx s LYS 5 CO -0.08 -3.57 1.66 1.25 0.10 0.00 0.00 175.35 174.71 2cdx h LEU 6 N -2.48 -0.56 -9.60 2.77 5.85 -1.87 -3.43 115.31 106.00 2cdx h LEU 6 Ca -0.44 0.04 -0.59 0.00 0.84 0.00 0.00 57.88 57.73 2cdx h LEU 6 Cb 1.28 0.17 0.12 0.00 0.37 0.00 0.00 40.66 42.60 2cdx h LEU 6 CO 0.32 -0.34 0.21 -0.38 -0.34 0.00 0.00 178.44 177.91 2cdx n ILE 7 N -5.35 2.18 -0.33 4.05 5.41 -1.26 -4.93 119.36 119.13 2cdx n ILE 7 Ca -0.09 -0.50 0.12 0.00 1.00 0.00 0.00 62.75 63.28 2cdx n ILE 7 Cb 0.25 -1.17 0.25 0.00 -0.71 0.00 0.00 39.64 38.27 2cdx n ILE 7 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 2cdx n PRO 8 N 0.44 -0.08 -0.33 0.38 -0.02 -1.26 -2.11 135.00 132.02 2cdx n PRO 8 Ca 0.09 1.44 -0.02 0.00 -2.02 0.00 0.00 63.50 62.98 2cdx n PRO 8 Cb 0.36 -2.26 0.12 0.00 -0.02 0.00 0.00 33.50 31.71 2cdx n PRO 8 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 2cdx h ILE 9 N 0.00 1.25 -4.23 4.25 6.09 -1.94 -3.50 117.51 119.43 2cdx h ILE 9 Ca 0.55 -0.53 0.00 0.00 -1.37 0.00 0.00 64.86 63.51 2cdx h ILE 9 Cb 1.09 -0.06 0.00 0.00 0.47 0.00 0.00 36.82 38.33 2cdx h ILE 9 CO -0.91 0.26 -0.43 0.00 -3.07 0.00 0.00 178.15 174.00 2cdx n ALA 10 N -2.40 -1.43 -1.34 0.18 0.00 -0.89 -4.98 120.51 109.65 2cdx n ALA 10 Ca 0.10 0.21 -0.35 0.00 0.00 0.00 0.00 53.44 53.40 2cdx n ALA 10 Cb 0.05 -0.93 0.10 0.00 0.00 0.00 0.00 19.45 18.67 2cdx n ALA 10 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2cdx n SER 11 N 1.91 0.91 0.00 0.00 3.41 -1.26 -4.54 113.62 114.05 2cdx n SER 11 Ca 0.00 0.67 0.00 0.00 -0.26 0.00 0.00 58.87 59.28 2cdx n SER 11 Cb 0.00 -1.46 0.00 0.00 -0.26 0.00 0.00 64.21 62.49 2cdx n SER 11 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2cdx n LYS 12 N -2.29 0.00 -1.46 4.33 4.81 -1.26 -3.87 118.16 118.42 2cdx n LYS 12 Ca 0.14 0.00 -0.51 0.00 -0.87 0.00 0.00 58.31 57.07 2cdx n LYS 12 Cb 0.49 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.50 2cdx n LYS 12 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 2cdx n THR 13 N 0.00 1.36 -3.67 3.15 -1.04 -1.26 -1.49 114.28 111.34 2cdx n THR 13 Ca 0.00 -0.34 -0.13 0.00 -2.04 0.00 0.00 64.05 61.54 2cdx n THR 13 Cb 0.00 -0.19 -0.07 0.00 -1.82 0.00 0.00 70.33 68.25 2cdx n THR 13 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2cdx n PRO 15 N 0.63 -0.15 -2.04 0.00 -0.02 -1.26 -0.48 135.00 131.69 2cdx n PRO 15 Ca -0.19 -0.03 -0.28 0.00 -2.02 0.00 0.00 63.50 60.99 2cdx n PRO 15 Cb 0.59 -1.36 0.07 0.00 -0.02 0.00 0.00 33.50 32.78 2cdx n PRO 15 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2cdx s ALA 16 N -2.17 2.92 0.00 3.55 0.00 -1.26 -0.63 121.76 124.18 2cdx s ALA 16 Ca 0.47 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.76 2cdx s ALA 16 Cb -0.19 -2.83 0.00 0.00 0.00 0.00 0.00 23.12 20.10 2cdx s ALA 16 CO 0.76 -1.35 0.00 0.41 0.00 0.00 0.00 175.76 175.58 2cdx n GLY 17 N -3.05 1.69 3.56 0.00 0.00 -1.26 -4.88 105.19 101.25 2cdx n GLY 17 Ca 0.07 -0.11 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 2cdx n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cdx s LYS 18 N 0.00 2.80 0.00 1.61 -0.14 -1.26 -4.60 119.74 118.15 2cdx s LYS 18 Ca 0.00 -0.08 0.19 0.00 -1.36 0.00 0.00 55.97 54.72 2cdx s LYS 18 Cb 0.00 -4.75 -0.19 0.00 -1.68 0.00 0.00 37.83 31.21 2cdx s LYS 18 CO 0.00 -2.84 0.62 0.27 -0.76 0.00 0.00 175.35 172.64 2cdx n ASN 19 N 12.29 0.51 -4.58 2.83 0.23 -0.41 -4.26 115.26 121.88 2cdx n ASN 19 Ca 0.28 0.22 -0.43 0.00 -0.53 0.00 0.00 54.58 54.12 2cdx n ASN 19 Cb 0.50 0.72 -0.04 0.00 -2.08 0.00 0.00 39.78 38.88 2cdx n ASN 19 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2cdx s LEU 20 N -5.44 3.95 -0.69 -4.53 1.43 0.12 -2.41 118.68 111.11 2cdx s LEU 20 Ca -0.05 0.30 -0.27 0.00 -1.03 0.00 0.00 54.13 53.08 2cdx s LEU 20 Cb 0.09 -3.27 0.04 0.00 0.03 0.00 0.00 46.19 43.08 2cdx s LEU 20 CO 0.83 -1.03 1.21 0.00 0.23 0.00 0.00 176.35 177.60 2cdx s TYR 22 N 5.33 3.31 -0.27 0.00 -0.85 -0.54 -2.78 117.35 121.55 2cdx s TYR 22 Ca 0.35 0.83 -0.03 0.00 -0.52 0.00 0.00 57.07 57.70 2cdx s TYR 22 Cb -0.09 -2.84 0.09 0.00 0.38 0.00 0.00 41.96 39.50 2cdx s TYR 22 CO 0.16 -0.93 0.11 -1.59 -1.52 0.00 0.00 175.55 171.78 2cdx s LYS 23 N -5.13 0.34 -0.77 -3.49 -2.85 -0.16 -1.77 119.74 105.91 2cdx s LYS 23 Ca 0.55 -0.60 -0.25 0.00 -1.00 0.00 0.00 55.97 54.67 2cdx s LYS 23 Cb -0.11 -1.50 -0.08 0.00 -2.06 0.00 0.00 37.83 34.08 2cdx s LYS 23 CO 0.48 -0.94 2.14 1.41 0.10 0.00 0.00 175.35 178.54 2cdx s MET 24 N 1.97 2.19 -0.62 1.78 -2.45 0.21 -1.27 119.30 121.11 2cdx s MET 24 Ca 0.08 0.32 -0.27 0.00 -1.25 0.00 0.00 55.69 54.56 2cdx s MET 24 Cb -0.16 -4.81 0.03 0.00 1.25 0.00 0.00 34.83 31.14 2cdx s MET 24 CO -0.29 -3.63 1.16 -0.06 1.05 0.00 0.00 175.02 173.25 2cdx s PHE 25 N 11.77 2.56 0.13 4.11 0.40 -0.52 -0.57 117.98 135.86 2cdx s PHE 25 Ca 0.80 0.16 -0.33 0.00 -0.60 0.00 0.00 56.93 56.97 2cdx s PHE 25 Cb -0.11 -4.45 -0.13 0.00 0.51 0.00 0.00 43.02 38.84 2cdx s PHE 25 CO 0.09 -1.68 1.70 -0.12 0.70 0.00 0.00 175.22 175.91 2cdx n MET 26 N 8.47 2.41 -0.30 0.44 1.56 -1.24 -0.73 117.12 127.72 2cdx n MET 26 Ca 0.05 0.87 0.29 0.00 -0.27 0.00 0.00 57.70 58.65 2cdx n MET 26 Cb 0.49 -2.69 0.65 0.00 2.15 0.00 0.00 33.22 33.81 2cdx n MET 26 CO 0.00 0.00 0.00 0.52 -0.73 0.00 0.00 175.97 175.76 2cdx h MET 27 N 7.06 0.16 -0.00 2.12 2.86 -1.76 -1.65 114.93 123.72 2cdx h MET 27 Ca -0.45 -0.01 -0.16 0.00 -2.06 0.00 0.00 59.70 57.01 2cdx h MET 27 Cb 1.24 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.84 2cdx h MET 27 CO 0.92 0.11 -0.76 0.77 1.06 0.00 0.00 176.91 179.00 2cdx h SER 28 N 0.17 0.06 -1.73 1.22 0.02 -1.85 -3.41 113.55 108.02 2cdx h SER 28 Ca 0.56 -0.04 -0.28 0.00 -0.84 0.00 0.00 61.79 61.19 2cdx h SER 28 Cb 1.87 -0.02 -0.28 0.00 0.14 0.00 0.00 62.40 64.11 2cdx h SER 28 CO -0.13 0.80 -0.61 -0.62 -1.14 0.00 0.00 176.83 175.12 2cdx s ASP 29 N -6.83 0.52 0.01 3.07 -1.08 -0.68 -5.11 116.67 106.58 2cdx s ASP 29 Ca -0.01 -1.20 -0.09 0.00 -0.52 0.00 0.00 52.55 50.73 2cdx s ASP 29 Cb 0.11 0.92 -0.05 0.00 -1.46 0.00 0.00 42.92 42.45 2cdx s ASP 29 CO 0.79 -0.26 0.86 -0.07 0.52 0.00 0.00 175.17 177.01 2cdx h LEU 30 N 7.27 -0.28 -0.69 -1.34 -0.00 -1.67 -3.29 115.31 115.31 2cdx h LEU 30 Ca 0.02 0.01 0.16 0.00 -0.00 0.00 0.00 57.88 58.07 2cdx h LEU 30 Cb 1.09 0.07 -0.13 0.00 -0.00 0.00 0.00 40.66 41.69 2cdx h LEU 30 CO 0.20 -0.15 -0.09 0.35 -0.00 0.00 0.00 178.44 178.75 2cdx n THR 31 N -3.13 -0.29 -3.17 0.22 -2.24 -1.26 -3.85 114.28 100.56 2cdx n THR 31 Ca -0.04 1.56 -0.43 0.00 -2.27 0.00 0.00 64.05 62.86 2cdx n THR 31 Cb 0.13 -2.21 -0.07 0.00 -2.10 0.00 0.00 70.33 66.09 2cdx n THR 31 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2cdx s ILE 32 N -5.74 4.89 0.53 2.28 1.09 -1.26 -5.07 121.20 117.91 2cdx s ILE 32 Ca -0.10 -0.32 -0.20 0.00 -1.10 0.00 0.00 60.65 58.93 2cdx s ILE 32 Cb 0.19 -4.24 -0.06 0.00 -1.06 0.00 0.00 42.46 37.30 2cdx s ILE 32 CO 0.54 -0.70 1.16 -2.84 -0.10 0.00 0.00 174.94 172.99 2cdx s PRO 33 N 2.61 3.38 0.02 2.79 0.02 -1.25 -4.65 135.00 137.92 2cdx s PRO 33 Ca 0.17 1.70 0.11 0.00 0.02 0.00 0.00 61.00 63.00 2cdx s PRO 33 Cb -0.18 -2.09 -0.22 0.00 0.02 0.00 0.00 34.50 32.04 2cdx s PRO 33 CO 0.14 -0.84 0.88 0.28 -0.33 0.00 0.00 177.00 177.12 2cdx h VAL 34 N 1.31 1.11 -4.13 3.83 2.07 -1.18 -3.49 116.25 115.79 2cdx h VAL 34 Ca -0.50 -2.90 -0.14 0.00 0.82 0.00 0.00 66.70 63.97 2cdx h VAL 34 Cb 1.27 2.54 -0.13 0.00 -1.52 0.00 0.00 31.29 33.45 2cdx h VAL 34 CO 0.57 0.63 -0.43 -0.54 0.02 0.00 0.00 177.57 177.83 2cdx s LYS 35 N -2.65 1.17 -0.25 1.57 -0.14 -1.24 -4.93 119.74 113.27 2cdx s LYS 35 Ca -0.03 -1.35 -0.02 0.00 -1.36 0.00 0.00 55.97 53.21 2cdx s LYS 35 Cb 0.09 0.34 0.13 0.00 -1.68 0.00 0.00 37.83 36.71 2cdx s LYS 35 CO 0.82 -0.41 0.36 1.03 -0.76 0.00 0.00 175.35 176.39 2cdx s ARG 36 N -4.04 0.34 0.00 1.68 0.52 -1.26 -0.61 118.95 115.58 2cdx s ARG 36 Ca 0.24 0.45 0.00 0.00 -0.52 0.00 0.00 55.73 55.91 2cdx s ARG 36 Cb 0.04 -0.54 0.00 0.00 0.52 0.00 0.00 34.95 34.98 2cdx s ARG 36 CO 0.04 -0.69 0.00 0.41 0.02 0.00 0.00 175.30 175.09 2cdx n GLY 37 N 5.36 5.49 2.99 -3.53 0.00 -0.73 -4.13 105.19 110.64 2cdx n GLY 37 Ca -0.03 -0.97 -0.22 0.00 0.00 0.00 0.00 46.02 44.79 2cdx n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cdx s ILE 39 N 0.54 0.00 -0.11 0.00 1.10 -0.31 -4.94 121.20 117.48 2cdx s ILE 39 Ca -0.10 -1.36 0.11 0.00 -0.51 0.00 0.00 60.65 58.79 2cdx s ILE 39 Cb -0.13 -2.55 -0.16 0.00 0.15 0.00 0.00 42.46 39.77 2cdx s ILE 39 CO 0.02 0.00 0.07 -0.90 -2.11 0.00 0.00 174.94 172.02 2cdx n ASP 40 N -1.08 2.00 -1.25 4.50 5.75 -1.26 0.15 116.55 125.36 2cdx n ASP 40 Ca -0.02 0.00 0.03 0.00 -0.01 0.00 0.00 54.79 54.78 2cdx n ASP 40 Cb 0.61 0.89 0.01 0.00 -1.03 0.00 0.00 41.12 41.60 2cdx n ASP 40 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 2cdx n VAL 41 N -2.39 0.00 -0.93 2.12 0.31 -1.26 -4.72 118.33 111.46 2cdx n VAL 41 Ca -0.18 -0.74 0.00 0.00 -0.01 0.00 0.00 64.34 63.41 2cdx n VAL 41 Cb 0.83 0.87 0.00 0.00 -0.91 0.00 0.00 33.84 34.63 2cdx n VAL 41 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2cdx n PRO 43 N 0.28 -0.22 0.00 0.00 -0.02 -1.26 -4.69 135.00 129.09 2cdx n PRO 43 Ca 0.00 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 2cdx n PRO 43 Cb 0.00 -1.11 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 2cdx n PRO 43 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2cdx n LYS 44 N -4.61 0.00 -1.92 -0.52 5.02 -1.26 -5.12 118.16 109.74 2cdx n LYS 44 Ca 0.01 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.87 2cdx n LYS 44 Cb 0.13 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.11 2cdx n LYS 44 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2cdx s ASN 45 N 0.00 6.11 0.00 4.39 4.22 -1.26 -5.01 114.94 123.39 2cdx s ASN 45 Ca 0.00 1.77 0.00 0.00 -2.14 0.00 0.00 52.86 52.49 2cdx s ASN 45 Cb 0.00 -2.53 0.00 0.00 1.28 0.00 0.00 41.25 40.00 2cdx s ASN 45 CO 0.00 -1.46 0.00 -0.24 -2.04 0.00 0.00 177.10 173.36 2cdx n SER 46 N 9.32 1.30 0.21 3.54 2.88 -1.05 -4.96 113.62 124.87 2cdx n SER 46 Ca 0.22 -1.00 0.11 0.00 -1.33 0.00 0.00 58.87 56.87 2cdx n SER 46 Cb 0.45 0.00 0.57 0.00 -0.75 0.00 0.00 64.21 64.48 2cdx n SER 46 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2cdx h LEU 47 N 0.00 0.00 -1.14 2.46 4.07 -2.02 -1.73 115.31 116.95 2cdx h LEU 47 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2cdx h LEU 47 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 2cdx h LEU 47 CO 0.00 0.00 -0.28 0.18 -1.08 0.00 0.00 178.44 177.26 2cdx n LEU 48 N -2.36 1.97 -3.56 1.67 4.77 -1.26 -4.54 117.00 113.70 2cdx n LEU 48 Ca -0.01 -0.83 -0.12 0.00 -0.03 0.00 0.00 56.01 55.02 2cdx n LEU 48 Cb 0.25 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.29 2cdx n LEU 48 CO 0.09 0.36 0.70 0.54 -1.33 0.00 0.00 177.39 177.76 2cdx s VAL 49 N -1.95 0.00 -0.18 4.08 0.11 -0.65 -2.82 120.40 118.98 2cdx s VAL 49 Ca 0.17 0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 59.19 2cdx s VAL 49 Cb 0.15 -1.00 0.06 0.00 -1.53 0.00 0.00 36.38 34.06 2cdx s VAL 49 CO 0.40 0.00 0.03 -0.75 -3.33 0.00 0.00 175.10 171.45 2cdx s LYS 50 N -1.28 0.72 -0.23 1.54 2.20 0.09 -2.53 119.74 120.25 2cdx s LYS 50 Ca -0.03 -0.40 -0.18 0.00 -0.36 0.00 0.00 55.97 55.00 2cdx s LYS 50 Cb -0.00 -2.03 -0.03 0.00 -1.51 0.00 0.00 37.83 34.25 2cdx s LYS 50 CO 0.02 -0.60 0.50 0.71 -0.36 0.00 0.00 175.35 175.62 2cdx s TYR 51 N 1.84 3.32 -0.50 4.03 2.02 -1.26 -1.43 117.35 125.36 2cdx s TYR 51 Ca -0.01 0.69 -0.20 0.00 -0.37 0.00 0.00 57.07 57.18 2cdx s TYR 51 Cb -0.17 -2.68 0.05 0.00 -0.40 0.00 0.00 41.96 38.77 2cdx s TYR 51 CO -0.08 -0.18 0.68 0.08 -1.57 0.00 0.00 175.55 174.48 2cdx s VAL 52 N 1.92 4.79 -0.08 0.71 1.01 -0.40 -4.91 120.40 123.44 2cdx s VAL 52 Ca 0.22 -0.28 -0.01 0.00 0.00 0.00 0.00 61.98 61.91 2cdx s VAL 52 Cb -0.15 -4.32 -0.03 0.00 0.00 0.00 0.00 36.38 31.87 2cdx s VAL 52 CO 0.09 -0.82 -0.02 0.00 0.00 0.00 0.00 175.10 174.35 2cdx n ASN 55 N 4.87 0.00 -3.43 0.00 6.94 -1.26 -0.69 115.26 121.68 2cdx n ASN 55 Ca -0.14 -0.65 -0.08 0.00 -0.02 0.00 0.00 54.58 53.69 2cdx n ASN 55 Cb 0.49 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 37.91 2cdx n ASN 55 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 2cdx s THR 56 N 1.51 0.00 0.13 5.53 -1.32 -1.01 -4.78 115.64 115.69 2cdx s THR 56 Ca 0.00 -1.07 -0.31 0.00 -1.21 0.00 0.00 61.69 59.09 2cdx s THR 56 Cb 0.00 -2.44 -0.09 0.00 -1.51 0.00 0.00 72.50 68.46 2cdx s THR 56 CO 0.00 0.00 1.48 -1.81 -2.21 0.00 0.00 174.62 172.08 2cdx s ASP 57 N -3.01 6.72 -1.24 8.08 1.01 -1.26 -3.88 116.67 123.08 2cdx s ASP 57 Ca 0.15 2.45 0.00 0.00 0.71 0.00 0.00 52.55 55.86 2cdx s ASP 57 Cb -0.05 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.29 2cdx s ASP 57 CO 0.10 -0.74 0.00 0.54 0.21 0.00 0.00 175.17 175.28 2cdx n ARG 58 N 4.10 -1.71 0.23 8.23 1.74 0.74 -4.90 116.66 125.10 2cdx n ARG 58 Ca 0.13 0.69 0.13 0.00 -0.77 0.00 0.00 57.85 58.03 2cdx n ARG 58 Cb 0.41 -5.10 0.31 0.00 -1.02 0.00 0.00 32.46 27.06 2cdx n ARG 58 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11