#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 0.18 0.11 1.96 1.02 -1.26 -1.40 119.74 120.35 2cdx s LYS 2 Ca 0.00 0.26 0.04 0.00 0.02 0.00 0.00 55.97 56.29 2cdx s LYS 2 Cb 0.00 -1.07 -0.04 0.00 -0.52 0.00 0.00 37.83 36.20 2cdx s LYS 2 CO 0.00 -0.61 -0.10 0.00 -0.92 0.00 0.00 175.35 173.72 2cdx s ASN 4 N -2.67 5.33 1.38 0.00 0.01 -1.26 -3.94 114.94 113.80 2cdx s ASN 4 Ca 0.09 -0.43 -0.23 0.00 -0.71 0.00 0.00 52.86 51.58 2cdx s ASN 4 Cb -0.01 -1.95 0.35 0.00 0.41 0.00 0.00 41.25 40.05 2cdx s ASN 4 CO -0.00 -0.13 0.98 2.29 -1.51 0.00 0.00 177.10 178.73 2cdx n LYS 5 N 4.94 -4.11 -0.33 -0.60 2.85 -1.18 -4.59 118.16 115.15 2cdx n LYS 5 Ca -0.15 -1.61 0.20 0.00 -1.05 0.00 0.00 58.31 55.70 2cdx n LYS 5 Cb 0.50 -1.79 0.39 0.00 -0.65 0.00 0.00 35.03 33.47 2cdx n LYS 5 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 2cdx h LEU 6 N 0.00 -0.08 -9.76 -5.58 7.12 -1.86 -3.42 115.31 101.72 2cdx h LEU 6 Ca -0.41 0.25 -0.57 0.00 0.13 0.00 0.00 57.88 57.28 2cdx h LEU 6 Cb 1.31 0.35 0.12 0.00 -0.53 0.00 0.00 40.66 41.91 2cdx h LEU 6 CO 0.25 -0.32 0.41 -0.38 -0.13 0.00 0.00 178.44 178.28 2cdx n ILE 7 N -5.34 2.40 -0.30 4.05 5.41 -1.26 -4.92 119.36 119.40 2cdx n ILE 7 Ca 0.27 -0.50 -0.01 0.00 1.00 0.00 0.00 62.75 63.52 2cdx n ILE 7 Cb 0.90 -1.46 0.03 0.00 -0.71 0.00 0.00 39.64 38.41 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 0.20 -0.18 -3.55 0.38 -0.02 -1.26 -3.10 135.00 127.46 2cdx n PRO 8 Ca 0.07 1.20 -0.27 0.00 -2.02 0.00 0.00 63.50 62.48 2cdx n PRO 8 Cb 0.38 -1.78 -0.10 0.00 -0.02 0.00 0.00 33.50 31.99 2cdx n PRO 8 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 2cdx n ILE 9 N -5.15 1.04 -0.36 4.25 -6.64 -1.26 -5.08 119.36 106.17 2cdx n ILE 9 Ca 0.08 -4.61 0.00 0.00 -1.77 0.00 0.00 62.75 56.45 2cdx n ILE 9 Cb 0.31 -2.03 0.00 0.00 -1.44 0.00 0.00 39.64 36.48 2cdx n ILE 9 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2cdx n ALA 10 N 1.66 0.00 -0.37 -1.28 0.00 -1.18 -5.08 120.51 114.26 2cdx n ALA 10 Ca 0.25 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.55 2cdx n ALA 10 Cb 0.42 0.00 0.23 0.00 0.00 0.00 0.00 19.45 20.10 2cdx n ALA 10 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2cdx n SER 11 N -1.00 -3.69 0.00 0.00 2.88 -1.26 -4.85 113.62 105.70 2cdx n SER 11 Ca 0.00 -0.68 0.00 0.00 -1.33 0.00 0.00 58.87 56.86 2cdx n SER 11 Cb 0.00 -0.84 0.00 0.00 -0.75 0.00 0.00 64.21 62.62 2cdx n SER 11 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2cdx n LYS 12 N -4.31 0.00 -1.55 -1.46 4.81 -1.25 -4.22 118.16 110.17 2cdx n LYS 12 Ca 0.11 0.00 -0.50 0.00 -0.87 0.00 0.00 58.31 57.05 2cdx n LYS 12 Cb 0.47 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.47 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 0.91 -3.77 3.15 -1.04 -1.26 -1.00 114.28 111.28 2cdx n THR 13 Ca 0.00 -0.23 -0.11 0.00 -2.04 0.00 0.00 64.05 61.67 2cdx n THR 13 Cb 0.00 -0.66 -0.08 0.00 -1.82 0.00 0.00 70.33 67.78 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 0.64 -0.02 -1.88 0.00 -0.02 -1.26 -0.27 135.00 132.19 2cdx n PRO 15 Ca -0.19 0.01 -0.29 0.00 -2.02 0.00 0.00 63.50 61.01 2cdx n PRO 15 Cb 0.59 -1.23 0.08 0.00 -0.02 0.00 0.00 33.50 32.92 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 -2.06 2.66 0.00 3.55 0.00 -1.26 -0.66 121.76 124.00 2cdx s ALA 16 Ca 0.48 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 51.86 2cdx s ALA 16 Cb -0.26 -2.98 0.00 0.00 0.00 0.00 0.00 23.12 19.89 2cdx s ALA 16 CO 0.75 -1.60 0.00 0.41 0.00 0.00 0.00 175.76 175.32 2cdx n GLY 17 N -3.21 1.76 3.56 0.00 0.00 -1.26 -4.89 105.19 101.15 2cdx n GLY 17 Ca 0.08 -0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 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 2.84 0.00 1.61 -0.14 -1.26 -4.67 119.74 118.13 2cdx s LYS 18 Ca 0.00 0.54 0.14 0.00 -1.36 0.00 0.00 55.97 55.29 2cdx s LYS 18 Cb 0.00 -4.31 -0.10 0.00 -1.68 0.00 0.00 37.83 31.74 2cdx s LYS 18 CO 0.00 -2.48 0.66 0.27 -0.76 0.00 0.00 175.35 173.04 2cdx n ASN 19 N 11.70 0.96 -4.51 2.83 2.04 -0.08 -4.12 115.26 124.09 2cdx n ASN 19 Ca 0.17 -0.98 -0.41 0.00 -0.44 0.00 0.00 54.58 52.92 2cdx n ASN 19 Cb 0.51 0.81 -0.10 0.00 -2.53 0.00 0.00 39.78 38.47 2cdx n ASN 19 CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 2cdx s LEU 20 N -2.40 4.66 -0.71 -4.53 1.43 0.13 -2.58 118.68 114.68 2cdx s LEU 20 Ca 0.08 -0.55 -0.27 0.00 -1.03 0.00 0.00 54.13 52.35 2cdx s LEU 20 Cb 0.11 -2.14 0.03 0.00 0.03 0.00 0.00 46.19 44.22 2cdx s LEU 20 CO 0.50 -0.29 1.26 0.00 0.23 0.00 0.00 176.35 178.04 2cdx s TYR 22 N 5.56 3.19 -0.41 0.00 1.13 -0.09 -2.40 117.35 124.34 2cdx s TYR 22 Ca 0.36 1.38 0.02 0.00 -1.41 0.00 0.00 57.07 57.42 2cdx s TYR 22 Cb -0.08 -2.87 0.15 0.00 -1.10 0.00 0.00 41.96 38.06 2cdx s TYR 22 CO 0.17 -1.17 0.26 0.21 -2.51 0.00 0.00 175.55 172.51 2cdx s LYS 23 N -5.08 0.93 -0.79 -3.49 2.20 -0.62 -2.53 119.74 110.36 2cdx s LYS 23 Ca 0.58 -1.79 -0.27 0.00 -0.36 0.00 0.00 55.97 54.12 2cdx s LYS 23 Cb -0.13 -1.73 -0.25 0.00 -1.51 0.00 0.00 37.83 34.20 2cdx s LYS 23 CO 0.55 -1.24 1.94 -0.12 -0.36 0.00 0.00 175.35 176.12 2cdx n MET 24 N 3.54 0.35 -2.18 4.03 0.00 -1.16 -1.17 117.12 120.53 2cdx n MET 24 Ca 0.15 -1.63 -0.42 0.00 -0.00 0.00 0.00 57.70 55.80 2cdx n MET 24 Cb 0.39 -3.48 -0.03 0.00 0.00 0.00 0.00 33.22 30.10 2cdx n MET 24 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 2cdx s PHE 25 N 13.17 3.06 0.20 1.12 0.08 -0.60 -0.21 117.98 134.80 2cdx s PHE 25 Ca 0.75 0.88 -0.31 0.00 0.12 0.00 0.00 56.93 58.37 2cdx s PHE 25 Cb 0.02 -3.68 -0.10 0.00 -0.57 0.00 0.00 43.02 38.68 2cdx s PHE 25 CO 0.22 -2.47 1.54 -1.64 -0.10 0.00 0.00 175.22 172.77 2cdx s MET 26 N 1.65 4.22 0.51 0.44 -1.94 -1.21 -1.08 119.30 121.88 2cdx s MET 26 Ca 0.65 2.37 0.25 0.00 -1.71 0.00 0.00 55.69 57.24 2cdx s MET 26 Cb -0.35 -3.13 1.34 0.00 2.01 0.00 0.00 34.83 34.70 2cdx s MET 26 CO 0.29 -0.56 1.94 1.98 -0.01 0.00 0.00 175.02 178.67 2cdx h MET 27 N 6.08 0.10 0.21 2.03 4.05 -1.70 -2.55 114.93 123.14 2cdx h MET 27 Ca -0.44 -0.01 -0.35 0.00 -0.28 0.00 0.00 59.70 58.63 2cdx h MET 27 Cb 1.21 -0.02 0.02 0.00 -0.80 0.00 0.00 31.60 32.01 2cdx h MET 27 CO 0.86 0.07 -1.66 0.77 0.23 0.00 0.00 176.91 177.17 2cdx h SER 28 N 0.10 0.68 -3.22 1.39 0.02 -1.84 -3.43 113.55 107.26 2cdx h SER 28 Ca 0.33 -0.91 -0.60 0.00 -0.84 0.00 0.00 61.79 59.77 2cdx h SER 28 Cb 1.18 -0.22 -0.40 0.00 0.14 0.00 0.00 62.40 63.09 2cdx h SER 28 CO -0.04 1.75 -0.77 -0.62 -1.14 0.00 0.00 176.83 176.02 2cdx s ASP 29 N -7.38 3.41 0.00 3.07 2.15 -0.99 -5.10 116.67 111.83 2cdx s ASP 29 Ca -0.14 -2.68 0.00 0.00 0.43 0.00 0.00 52.55 50.17 2cdx s ASP 29 Cb 0.05 -0.92 0.00 0.00 -0.30 0.00 0.00 42.92 41.75 2cdx s ASP 29 CO 0.88 -0.25 0.36 0.18 -0.17 0.00 0.00 175.17 176.17 2cdx n LEU 30 N 3.45 0.06 0.00 -1.34 7.99 -1.01 -3.31 117.00 122.84 2cdx n LEU 30 Ca 0.12 0.36 0.00 0.00 -0.01 0.00 0.00 56.01 56.48 2cdx n LEU 30 Cb 0.36 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.67 2cdx n LEU 30 CO 0.21 0.00 0.00 1.07 -1.51 0.00 0.00 177.39 177.16 2cdx n THR 31 N -0.37 0.00 -3.29 -5.08 5.66 -1.26 -3.61 114.28 106.33 2cdx n THR 31 Ca 0.00 0.00 -0.44 0.00 -3.05 0.00 0.00 64.05 60.56 2cdx n THR 31 Cb 0.00 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 68.71 2cdx n THR 31 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 2cdx s ILE 32 N -4.78 5.07 1.13 1.09 1.09 -1.26 -5.06 121.20 118.48 2cdx s ILE 32 Ca 0.00 -0.74 -0.18 0.00 -1.10 0.00 0.00 60.65 58.62 2cdx s ILE 32 Cb 0.00 -4.18 0.26 0.00 -1.06 0.00 0.00 42.46 37.48 2cdx s ILE 32 CO 0.00 -0.65 1.18 -2.16 -0.10 0.00 0.00 174.94 173.21 2cdx s PRO 33 N 2.10 -0.68 -0.09 2.79 0.05 -1.24 -4.63 135.00 133.31 2cdx s PRO 33 Ca 0.09 -0.21 -0.04 0.00 0.05 0.00 0.00 61.00 60.90 2cdx s PRO 33 Cb -0.21 -1.67 -0.01 0.00 0.05 0.00 0.00 34.50 32.65 2cdx s PRO 33 CO 0.10 -3.33 -0.07 0.28 0.05 0.00 0.00 177.00 174.03 2cdx h VAL 34 N -2.30 0.00 -3.16 -0.36 2.07 -0.94 -3.48 116.25 108.08 2cdx h VAL 34 Ca -0.44 -0.69 -0.44 0.00 0.82 0.00 0.00 66.70 65.95 2cdx h VAL 34 Cb 1.27 0.00 -0.40 0.00 -1.52 0.00 0.00 31.29 30.64 2cdx h VAL 34 CO 0.34 0.00 -0.75 -0.75 0.02 0.00 0.00 177.57 176.43 2cdx s LYS 35 N -1.66 0.09 -1.32 1.57 2.20 -1.26 -4.78 119.74 114.58 2cdx s LYS 35 Ca -0.06 0.05 -0.13 0.00 -0.36 0.00 0.00 55.97 55.47 2cdx s LYS 35 Cb 0.01 -1.40 0.12 0.00 -1.51 0.00 0.00 37.83 35.05 2cdx s LYS 35 CO 0.09 -0.54 1.87 -2.13 -0.36 0.00 0.00 175.35 174.27 2cdx n ARG 36 N 5.26 3.31 0.00 4.03 0.63 -1.26 -2.99 116.66 125.64 2cdx n ARG 36 Ca -0.06 -3.31 0.00 0.00 -0.92 0.00 0.00 57.85 53.56 2cdx n ARG 36 Cb 0.49 -3.12 0.00 0.00 0.45 0.00 0.00 32.46 30.28 2cdx n ARG 36 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2cdx n GLY 37 N 3.73 1.83 3.10 5.14 0.00 -1.05 -3.07 105.19 114.87 2cdx n GLY 37 Ca 0.44 -1.81 -0.26 0.00 0.00 0.00 0.00 46.02 44.39 2cdx n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cdx n ILE 39 N 3.42 0.00 -0.00 0.00 0.13 -0.27 -4.91 119.36 117.72 2cdx n ILE 39 Ca -0.20 -0.74 -0.00 0.00 -1.10 0.00 0.00 62.75 60.71 2cdx n ILE 39 Cb 0.53 0.52 -0.00 0.00 -0.84 0.00 0.00 39.64 39.85 2cdx n ILE 39 CO 0.00 0.00 0.00 -0.90 2.80 0.00 0.00 176.55 178.45 2cdx n ASP 40 N -1.65 4.89 -0.29 9.51 5.68 -1.26 0.22 116.55 133.65 2cdx n ASP 40 Ca -0.01 0.00 0.01 0.00 -0.50 0.00 0.00 54.79 54.29 2cdx n ASP 40 Cb 0.29 0.72 0.01 0.00 -1.14 0.00 0.00 41.12 41.00 2cdx n ASP 40 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 2cdx n VAL 41 N -1.81 0.23 -0.83 2.12 0.31 -1.26 -4.69 118.33 112.39 2cdx n VAL 41 Ca -0.00 -0.26 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 2cdx n VAL 41 Cb 0.31 0.58 0.00 0.00 -0.91 0.00 0.00 33.84 33.82 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 0.24 0.00 -3.15 0.00 -0.02 -1.26 -4.69 135.00 126.12 2cdx n PRO 43 Ca 0.00 0.07 0.06 0.00 -2.02 0.00 0.00 63.50 61.61 2cdx n PRO 43 Cb 0.00 -0.13 -0.00 0.00 -0.02 0.00 0.00 33.50 33.35 2cdx n PRO 43 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2cdx s LYS 44 N -1.95 0.01 0.28 -0.52 1.02 -1.26 -5.11 119.74 112.20 2cdx s LYS 44 Ca 0.00 0.01 -0.29 0.00 0.02 0.00 0.00 55.97 55.70 2cdx s LYS 44 Cb 0.00 0.00 -0.09 0.00 -0.52 0.00 0.00 37.83 37.22 2cdx s LYS 44 CO 0.00 -0.01 1.12 0.54 -0.92 0.00 0.00 175.35 176.07 2cdx s ASN 45 N 3.00 7.23 0.13 2.83 4.22 -1.26 -4.97 114.94 126.11 2cdx s ASN 45 Ca 0.26 2.29 -0.01 0.00 -2.14 0.00 0.00 52.86 53.27 2cdx s ASN 45 Cb -0.01 -2.63 0.00 0.00 1.28 0.00 0.00 41.25 39.90 2cdx s ASN 45 CO -0.19 -0.18 0.17 -0.24 -2.04 0.00 0.00 177.10 174.62 2cdx n SER 46 N 1.25 -0.49 0.18 3.54 2.88 -0.64 -5.00 113.62 115.34 2cdx n SER 46 Ca -0.01 -1.69 0.11 0.00 -1.33 0.00 0.00 58.87 55.95 2cdx n SER 46 Cb 0.45 0.91 0.58 0.00 -0.75 0.00 0.00 64.21 65.40 2cdx n SER 46 CO 0.00 0.00 0.00 0.17 -1.23 0.00 0.00 175.04 173.98 2cdx h LEU 47 N 0.00 0.00 0.00 2.46 8.10 -2.01 -2.38 115.31 121.48 2cdx h LEU 47 Ca -0.10 0.00 -0.24 0.00 0.11 0.00 0.00 57.88 57.65 2cdx h LEU 47 Cb 0.43 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 40.61 2cdx h LEU 47 CO 0.13 0.00 -2.02 -0.11 -4.11 0.00 0.00 178.44 172.33 2cdx n LEU 48 N -2.28 0.28 -3.67 0.17 7.94 -1.26 -4.53 117.00 113.65 2cdx n LEU 48 Ca -0.01 0.13 -0.15 0.00 -1.11 0.00 0.00 56.01 54.87 2cdx n LEU 48 Cb 0.12 0.27 -0.08 0.00 0.53 0.00 0.00 43.42 44.26 2cdx n LEU 48 CO 0.09 0.31 0.20 0.54 -1.11 0.00 0.00 177.39 177.42 2cdx s VAL 49 N -2.81 0.02 -0.09 1.96 0.11 -0.90 -2.32 120.40 116.37 2cdx s VAL 49 Ca -0.07 -0.18 -0.01 0.00 -2.93 0.00 0.00 61.98 58.79 2cdx s VAL 49 Cb 0.08 -0.76 0.03 0.00 -1.53 0.00 0.00 36.38 34.20 2cdx s VAL 49 CO 0.84 -0.10 -0.04 -0.75 -3.33 0.00 0.00 175.10 171.72 2cdx s LYS 50 N -0.79 1.12 -0.14 1.54 2.20 -0.25 -1.62 119.74 121.80 2cdx s LYS 50 Ca -0.09 -0.10 -0.06 0.00 -0.36 0.00 0.00 55.97 55.36 2cdx s LYS 50 Cb -0.03 -1.30 -0.04 0.00 -1.51 0.00 0.00 37.83 34.95 2cdx s LYS 50 CO 0.05 -0.27 0.08 0.71 -0.36 0.00 0.00 175.35 175.56 2cdx s TYR 51 N 1.76 3.35 -0.59 4.03 1.51 -1.26 -1.56 117.35 124.59 2cdx s TYR 51 Ca 0.04 0.26 -0.13 0.00 -1.01 0.00 0.00 57.07 56.22 2cdx s TYR 51 Cb -0.13 -1.98 0.15 0.00 -0.11 0.00 0.00 41.96 39.90 2cdx s TYR 51 CO -0.06 0.41 0.52 0.08 -1.11 0.00 0.00 175.55 175.39 2cdx s VAL 52 N -0.34 4.99 -0.18 0.71 1.01 -0.31 -4.90 120.40 121.37 2cdx s VAL 52 Ca 0.09 -1.85 -0.09 0.00 0.00 0.00 0.00 61.98 60.13 2cdx s VAL 52 Cb -0.12 -4.19 -0.05 0.00 0.00 0.00 0.00 36.38 32.02 2cdx s VAL 52 CO 0.02 -0.88 0.13 0.00 0.00 0.00 0.00 175.10 174.36 2cdx n ASN 55 N 4.13 1.98 -3.72 0.00 5.15 -1.26 -0.48 115.26 121.06 2cdx n ASN 55 Ca -0.19 -1.84 -0.05 0.00 -0.60 0.00 0.00 54.58 51.90 2cdx n ASN 55 Cb 0.52 -0.52 -0.01 0.00 -0.53 0.00 0.00 39.78 39.23 2cdx n ASN 55 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 2cdx s THR 56 N 2.15 0.00 -0.42 -0.44 -1.32 -1.07 -4.85 115.64 109.69 2cdx s THR 56 Ca 0.23 -0.84 -0.28 0.00 -1.21 0.00 0.00 61.69 59.59 2cdx s THR 56 Cb 0.11 -2.11 -0.01 0.00 -1.51 0.00 0.00 72.50 68.98 2cdx s THR 56 CO 0.00 0.00 1.71 -1.81 -2.21 0.00 0.00 174.62 172.31 2cdx s ASP 57 N -2.97 5.86 -0.06 8.08 1.01 -1.26 -3.64 116.67 123.69 2cdx s ASP 57 Ca 0.12 0.94 0.00 0.00 0.71 0.00 0.00 52.55 54.32 2cdx s ASP 57 Cb -0.04 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.36 2cdx s ASP 57 CO 0.05 -1.80 0.00 0.54 0.21 0.00 0.00 175.17 174.18 2cdx n ARG 58 N 8.53 -0.16 0.02 8.23 1.74 0.66 -4.98 116.66 130.71 2cdx n ARG 58 Ca 0.20 0.21 0.07 0.00 -0.77 0.00 0.00 57.85 57.57 2cdx n ARG 58 Cb 0.48 -3.48 0.32 0.00 -1.02 0.00 0.00 32.46 28.76 2cdx n ARG 58 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11