#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f2g n ILE 2 N 0.00 0.00 -4.13 0.52 -0.00 -1.26 -4.77 119.36 109.72 1f2g n ILE 2 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 62.75 62.60 1f2g n ILE 2 Cb 0.00 -0.16 -0.12 0.00 -0.00 0.00 0.00 39.64 39.36 1f2g n ILE 2 CO 0.00 0.00 0.00 -0.70 -0.00 0.00 0.00 176.55 175.85 1f2g s GLU 3 N -2.77 0.61 0.00 6.28 2.12 0.87 -4.88 118.70 120.93 1f2g s GLU 3 Ca 0.11 -0.71 0.00 0.00 0.36 0.00 0.00 54.97 54.73 1f2g s GLU 3 Cb -0.02 -0.47 0.00 0.00 0.26 0.00 0.00 34.13 33.90 1f2g s GLU 3 CO 0.09 0.10 0.64 1.55 -0.54 0.00 0.00 175.26 177.10 1f2g n VAL 4 N 1.70 0.28 -1.40 3.70 3.14 -1.26 -1.22 118.33 123.27 1f2g n VAL 4 Ca -0.21 -0.28 0.01 0.00 -2.96 0.00 0.00 64.34 60.90 1f2g n VAL 4 Cb 0.55 0.86 -0.00 0.00 -1.06 0.00 0.00 33.84 34.19 1f2g n VAL 4 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1f2g n ASN 5 N -0.14 -1.89 -0.00 6.55 4.13 -1.06 -4.39 115.26 118.46 1f2g n ASN 5 Ca 0.00 0.05 -0.00 0.00 1.68 0.00 0.00 54.58 56.31 1f2g n ASN 5 Cb 0.43 -0.17 -0.00 0.00 -1.54 0.00 0.00 39.78 38.50 1f2g n ASN 5 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1f2g n ASP 6 N -3.77 4.92 0.31 6.41 -0.08 -1.26 -4.57 116.55 118.50 1f2g n ASP 6 Ca 0.00 -0.00 0.20 0.00 -1.51 0.00 0.00 54.79 53.48 1f2g n ASP 6 Cb 0.02 0.48 1.07 0.00 2.34 0.00 0.00 41.12 45.03 1f2g n ASP 6 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 1f2g h ASP 7 N 0.00 0.00 -3.78 1.67 5.19 -1.96 -3.42 116.42 114.12 1f2g h ASP 7 Ca -0.00 0.00 -0.53 0.00 -0.62 0.00 0.00 57.03 55.88 1f2g h ASP 7 Cb 1.01 0.00 0.21 0.00 0.18 0.00 0.00 39.33 40.73 1f2g h ASP 7 CO 0.00 0.00 -0.22 0.00 -3.12 0.00 0.00 179.24 175.90 1f2g n MET 9 N -2.76 0.00 0.00 0.00 2.81 -1.26 -5.08 117.12 110.84 1f2g n MET 9 Ca 0.09 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.98 1f2g n MET 9 Cb 0.53 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.04 1f2g n MET 9 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1f2g n ALA 10 N -3.00 0.00 0.24 3.04 0.00 -1.26 -4.61 120.51 114.92 1f2g n ALA 10 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 1f2g n ALA 10 Cb 0.00 0.00 0.58 0.00 0.00 0.00 0.00 19.45 20.03 1f2g n ALA 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1f2g n GLU 12 N -4.41 -0.66 -0.03 0.00 4.71 -1.26 -4.93 120.64 114.06 1f2g n GLU 12 Ca -0.03 0.57 -0.13 0.00 -0.01 0.00 0.00 57.16 57.56 1f2g n GLU 12 Cb 0.16 -4.51 -0.09 0.00 -1.01 0.00 0.00 31.44 25.99 1f2g n GLU 12 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1f2g h ALA 13 N 0.26 0.06 -0.39 0.62 0.00 -1.94 0.40 119.26 118.28 1f2g h ALA 13 Ca -0.20 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 1f2g h ALA 13 Cb 0.94 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1f2g h ALA 13 CO 0.25 -0.15 0.13 0.00 0.00 0.00 0.00 179.25 179.48 1f2g h VAL 15 N 0.55 1.42 -0.28 0.00 2.07 -1.64 0.90 116.25 119.28 1f2g h VAL 15 Ca 0.13 -2.38 -0.12 0.00 0.82 0.00 0.00 66.70 65.15 1f2g h VAL 15 Cb 0.16 2.31 -0.07 0.00 -1.52 0.00 0.00 31.29 32.17 1f2g h VAL 15 CO -0.01 0.67 0.16 -0.62 0.02 0.00 0.00 177.57 177.78 1f2g n GLU 16 N -3.63 1.60 0.00 1.57 1.02 0.14 -3.40 120.64 117.94 1f2g n GLU 16 Ca -0.01 -0.96 0.00 0.00 -0.02 0.00 0.00 57.16 56.17 1f2g n GLU 16 Cb 0.69 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.65 1f2g n GLU 16 CO 0.00 0.00 0.00 1.51 1.18 0.00 0.00 177.13 179.82 1f2g n ILE 17 N 0.03 0.00 -3.53 -3.67 0.00 -1.10 -4.98 119.36 106.12 1f2g n ILE 17 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 62.75 62.63 1f2g n ILE 17 Cb 0.79 -0.19 -0.11 0.00 0.00 0.00 0.00 39.64 40.13 1f2g n ILE 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1f2g n PRO 19 N 3.06 0.75 0.00 0.00 -0.04 -1.22 -1.15 135.00 136.40 1f2g n PRO 19 Ca 0.22 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.74 1f2g n PRO 19 Cb 0.42 -1.10 -0.04 0.00 -0.04 0.00 0.00 33.50 32.74 1f2g n PRO 19 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1f2g n ASP 20 N -0.60 0.93 -0.02 3.54 2.03 -1.26 -4.54 116.55 116.63 1f2g n ASP 20 Ca 0.04 -0.97 -0.02 0.00 0.52 0.00 0.00 54.79 54.36 1f2g n ASP 20 Cb 0.02 0.76 -0.03 0.00 -0.72 0.00 0.00 41.12 41.15 1f2g n ASP 20 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1f2g n VAL 21 N -0.80 0.26 -3.72 5.18 0.31 -0.71 -3.24 118.33 115.61 1f2g n VAL 21 Ca 0.04 -0.13 -0.16 0.00 -0.01 0.00 0.00 64.34 64.07 1f2g n VAL 21 Cb 0.22 -0.79 -0.16 0.00 -0.91 0.00 0.00 33.84 32.20 1f2g n VAL 21 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1f2g s PHE 22 N -2.09 -0.04 -0.08 3.52 0.08 -0.30 -1.24 117.98 117.82 1f2g s PHE 22 Ca -0.04 0.33 -0.10 0.00 0.12 0.00 0.00 56.93 57.24 1f2g s PHE 22 Cb 0.01 -0.28 0.02 0.00 -0.57 0.00 0.00 43.02 42.21 1f2g s PHE 22 CO 0.13 -0.17 0.26 -2.00 -0.10 0.00 0.00 175.22 173.34 1f2g s GLU 23 N 1.61 0.36 0.18 0.44 -6.30 0.10 -3.90 118.70 111.20 1f2g s GLU 23 Ca -0.03 0.26 -0.18 0.00 -2.50 0.00 0.00 54.97 52.51 1f2g s GLU 23 Cb -0.12 0.17 -0.12 0.00 0.00 0.00 0.00 34.13 34.06 1f2g s GLU 23 CO -0.04 -0.06 0.27 -1.33 0.02 0.00 0.00 175.26 174.12 1f2g n MET 24 N 2.66 0.00 0.00 4.30 2.81 -1.26 -0.34 117.12 125.29 1f2g n MET 24 Ca -0.14 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.75 1f2g n MET 24 Cb 0.58 -0.70 0.00 0.00 -0.71 0.00 0.00 33.22 32.39 1f2g n MET 24 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 1f2g n ASN 25 N 1.47 0.00 0.08 7.83 6.94 0.60 -4.41 115.26 127.77 1f2g n ASN 25 Ca 0.11 0.00 -0.13 0.00 -0.02 0.00 0.00 54.58 54.54 1f2g n ASN 25 Cb 0.21 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 37.54 1f2g n ASN 25 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 1f2g h GLU 26 N 0.00 -0.20 -0.00 -3.83 4.81 -1.92 -2.69 114.58 110.76 1f2g h GLU 26 Ca 0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1f2g h GLU 26 Cb 0.00 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1f2g h GLU 26 CO 0.00 0.10 -0.01 0.39 -0.73 0.00 0.00 179.01 178.76 1f2g n GLU 27 N -5.05 0.68 -2.65 1.92 -0.58 -1.26 -4.88 120.64 108.82 1f2g n GLU 27 Ca -0.09 -0.02 -0.21 0.00 -0.42 0.00 0.00 57.16 56.42 1f2g n GLU 27 Cb 0.21 -1.50 0.01 0.00 -0.57 0.00 0.00 31.44 29.59 1f2g n GLU 27 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1f2g n GLY 28 N 1.17 -0.49 0.00 0.62 0.00 -1.01 -4.84 105.19 100.64 1f2g n GLY 28 Ca 0.18 0.04 0.04 0.00 0.00 0.00 0.00 46.02 46.27 1f2g n GLY 28 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1f2g n ASP 29 N -2.14 0.56 -3.81 1.61 2.03 -1.26 -4.76 116.55 108.77 1f2g n ASP 29 Ca -0.19 -0.65 -0.18 0.00 0.52 0.00 0.00 54.79 54.30 1f2g n ASP 29 Cb 0.66 1.02 -0.16 0.00 -0.72 0.00 0.00 41.12 41.92 1f2g n ASP 29 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1f2g s LYS 30 N -1.82 0.36 -0.73 -0.67 1.02 -1.26 -4.53 119.74 112.11 1f2g s LYS 30 Ca 0.03 0.08 -0.26 0.00 0.02 0.00 0.00 55.97 55.84 1f2g s LYS 30 Cb 0.06 -0.56 -0.04 0.00 -0.52 0.00 0.00 37.83 36.77 1f2g s LYS 30 CO 0.33 -0.15 1.96 0.00 -0.92 0.00 0.00 175.35 176.57 1f2g s ALA 31 N 1.15 1.84 0.69 5.17 0.00 -1.26 0.22 121.76 129.57 1f2g s ALA 31 Ca -0.08 -0.97 -0.11 0.00 0.00 0.00 0.00 51.96 50.80 1f2g s ALA 31 Cb -0.13 -4.43 0.01 0.00 0.00 0.00 0.00 23.12 18.57 1f2g s ALA 31 CO -0.02 -4.43 1.06 0.54 0.00 0.00 0.00 175.76 172.91 1f2g s VAL 32 N 10.02 4.03 -0.08 0.00 0.11 0.54 -4.72 120.40 130.30 1f2g s VAL 32 Ca 0.72 0.66 -0.12 0.00 -2.93 0.00 0.00 61.98 60.31 1f2g s VAL 32 Cb -0.10 -3.46 -0.05 0.00 -1.53 0.00 0.00 36.38 31.24 1f2g s VAL 32 CO 0.11 -0.86 0.29 -0.69 -3.33 0.00 0.00 175.10 170.62 1f2g s VAL 33 N -3.09 5.26 -0.06 2.04 1.01 -1.26 0.03 120.40 124.32 1f2g s VAL 33 Ca 0.58 0.56 0.08 0.00 0.00 0.00 0.00 61.98 63.20 1f2g s VAL 33 Cb -0.13 -3.59 -0.12 0.00 0.00 0.00 0.00 36.38 32.53 1f2g s VAL 33 CO 0.55 0.54 0.09 2.30 0.00 0.00 0.00 175.10 178.57 1f2g n ILE 34 N 2.38 0.40 -3.74 2.22 -5.35 -0.37 -4.82 119.36 110.09 1f2g n ILE 34 Ca -0.15 -0.32 -0.36 0.00 -0.27 0.00 0.00 62.75 61.65 1f2g n ILE 34 Cb 0.53 -0.43 -0.10 0.00 -1.74 0.00 0.00 39.64 37.90 1f2g n ILE 34 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1f2g s ASN 35 N -3.75 5.19 0.00 7.28 3.84 -1.20 -4.92 114.94 121.39 1f2g s ASN 35 Ca -0.04 -2.97 0.00 0.00 0.21 0.00 0.00 52.86 50.06 1f2g s ASN 35 Cb 0.04 -1.84 0.00 0.00 -0.55 0.00 0.00 41.25 38.90 1f2g s ASN 35 CO 0.37 -0.33 0.70 -0.81 -2.79 0.00 0.00 177.10 174.23 1f2g n PRO 36 N 3.32 0.75 -1.20 0.43 -0.04 -1.26 -2.38 135.00 134.62 1f2g n PRO 36 Ca 0.09 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.53 1f2g n PRO 36 Cb 0.37 -1.16 0.00 0.00 -0.04 0.00 0.00 33.50 32.67 1f2g n PRO 36 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1f2g n ASP 37 N 0.55 -0.43 0.00 3.54 2.03 -1.26 -4.51 116.55 116.47 1f2g n ASP 37 Ca 0.00 -1.02 0.00 0.00 0.52 0.00 0.00 54.79 54.29 1f2g n ASP 37 Cb 0.35 0.17 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 1f2g n ASP 37 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1f2g n SER 38 N -0.23 0.00 -1.73 1.67 2.88 -1.00 -4.74 113.62 110.47 1f2g n SER 38 Ca -0.09 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.27 1f2g n SER 38 Cb 0.51 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.90 1f2g n SER 38 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1f2g n ASP 39 N 0.00 -4.96 -1.63 -3.46 2.03 -1.26 -4.79 116.55 102.48 1f2g n ASP 39 Ca 0.00 0.36 0.00 0.00 0.52 0.00 0.00 54.79 55.67 1f2g n ASP 39 Cb 0.00 -4.37 0.27 0.00 -0.72 0.00 0.00 41.12 36.30 1f2g n ASP 39 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1f2g n LEU 40 N -2.38 4.83 0.00 -2.67 -0.00 -1.26 -4.87 117.00 110.65 1f2g n LEU 40 Ca -0.19 -2.48 0.00 0.00 -0.00 0.00 0.00 56.01 53.34 1f2g n LEU 40 Cb 0.62 -0.67 0.00 0.00 -0.00 0.00 0.00 43.42 43.37 1f2g n LEU 40 CO 0.27 0.62 0.00 -0.67 -0.00 0.00 0.00 177.39 177.61 1f2g n ASP 41 N 0.20 0.00 -0.45 1.45 -0.08 -1.26 -4.77 116.55 111.64 1f2g n ASP 41 Ca 0.26 0.00 0.38 0.00 -1.51 0.00 0.00 54.79 53.92 1f2g n ASP 41 Cb 1.06 0.00 0.66 0.00 2.34 0.00 0.00 41.12 45.17 1f2g n ASP 41 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1f2g h VAL 43 N 0.07 1.34 -0.19 0.00 2.07 -1.94 1.23 116.25 118.83 1f2g h VAL 43 Ca 0.84 -1.12 0.05 0.00 0.82 0.00 0.00 66.70 67.29 1f2g h VAL 43 Cb 2.65 1.94 -0.01 0.00 -1.52 0.00 0.00 31.29 34.34 1f2g h VAL 43 CO -0.42 0.31 0.16 1.05 0.02 0.00 0.00 177.57 178.68 1f2g h GLU 44 N -0.24 0.00 0.00 1.57 -0.00 0.25 1.63 114.58 117.79 1f2g h GLU 44 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.37 1f2g h GLU 44 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.27 1f2g h GLU 44 CO 0.01 0.00 -1.33 -0.85 -0.00 0.00 0.00 179.01 176.85 1f2g n GLU 45 N -4.20 0.31 0.04 1.06 0.28 0.61 -3.06 120.64 115.67 1f2g n GLU 45 Ca 0.02 -0.06 0.07 0.00 -0.16 0.00 0.00 57.16 57.02 1f2g n GLU 45 Cb 0.29 -1.54 -0.07 0.00 1.43 0.00 0.00 31.44 31.55 1f2g n GLU 45 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1f2g n ALA 46 N -1.85 2.35 0.03 -1.84 0.00 0.42 -3.47 120.51 116.15 1f2g n ALA 46 Ca 0.01 -0.46 -0.22 0.00 0.00 0.00 0.00 53.44 52.76 1f2g n ALA 46 Cb 0.44 -0.92 -0.14 0.00 0.00 0.00 0.00 19.45 18.83 1f2g n ALA 46 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1f2g h ILE 47 N 0.00 0.80 0.00 0.00 2.04 0.21 -3.03 117.51 117.53 1f2g h ILE 47 Ca -0.08 -2.41 -0.02 0.00 1.00 0.00 0.00 64.86 63.35 1f2g h ILE 47 Cb 1.25 2.62 -0.00 0.00 -0.74 0.00 0.00 36.82 39.95 1f2g h ILE 47 CO 0.02 0.84 -0.10 -0.78 0.00 0.00 0.00 178.15 178.13 1f2g h ASP 48 N 0.00 0.00 1.00 1.72 3.58 -1.70 0.75 116.42 121.76 1f2g h ASP 48 Ca -0.38 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.07 1f2g h ASP 48 Cb 2.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.05 1f2g h ASP 48 CO 0.11 0.10 -0.53 0.28 -2.88 0.00 0.00 179.24 176.31 1f2g h SER 49 N 0.00 0.00 -3.54 2.28 0.02 -1.65 -3.44 113.55 107.22 1f2g h SER 49 Ca -0.00 -0.16 -0.60 0.00 -0.84 0.00 0.00 61.79 60.19 1f2g h SER 49 Cb 0.23 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 62.67 1f2g h SER 49 CO 0.01 0.08 0.56 0.00 -1.14 0.00 0.00 176.83 176.34 1f2g h PRO 51 N 8.62 0.19 -0.00 0.00 0.13 -1.85 -2.81 132.00 136.28 1f2g h PRO 51 Ca -0.24 -0.18 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1f2g h PRO 51 Cb 1.08 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1f2g h PRO 51 CO 0.98 0.89 -0.05 0.00 -0.23 0.00 0.00 178.00 179.59 1f2g n ALA 52 N -2.46 2.56 -3.73 -0.56 0.00 -1.26 -4.89 120.51 110.16 1f2g n ALA 52 Ca -0.03 -0.17 -0.26 0.00 0.00 0.00 0.00 53.44 52.99 1f2g n ALA 52 Cb 0.75 -1.44 -0.06 0.00 0.00 0.00 0.00 19.45 18.70 1f2g n ALA 52 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1f2g n GLU 53 N -1.29 -0.89 0.16 0.00 0.28 -1.06 -4.72 120.64 113.12 1f2g n GLU 53 Ca 0.12 0.08 0.11 0.00 -0.16 0.00 0.00 57.16 57.31 1f2g n GLU 53 Cb 0.28 -2.88 0.08 0.00 1.43 0.00 0.00 31.44 30.35 1f2g n GLU 53 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1f2g h ALA 54 N 1.17 0.76 -2.92 -1.84 0.00 -1.89 -3.44 119.26 111.09 1f2g h ALA 54 Ca -0.45 -0.06 -0.58 0.00 0.00 0.00 0.00 54.91 53.82 1f2g h ALA 54 Cb 0.99 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.71 1f2g h ALA 54 CO 0.56 0.07 -0.14 0.96 0.00 0.00 0.00 179.25 180.70 1f2g s ILE 55 N -3.25 5.19 0.18 0.00 -4.36 -1.26 -2.56 121.20 115.15 1f2g s ILE 55 Ca 0.03 0.95 0.02 0.00 -0.26 0.00 0.00 60.65 61.40 1f2g s ILE 55 Cb 0.07 -3.82 -0.01 0.00 1.25 0.00 0.00 42.46 39.96 1f2g s ILE 55 CO 0.73 0.33 0.20 1.33 0.24 0.00 0.00 174.94 177.76 1f2g n VAL 56 N 3.68 0.00 -2.35 8.37 0.24 -0.36 -4.89 118.33 123.02 1f2g n VAL 56 Ca -0.07 -1.19 -0.20 0.00 -2.04 0.00 0.00 64.34 60.84 1f2g n VAL 56 Cb 0.52 0.64 0.02 0.00 -1.47 0.00 0.00 33.84 33.54 1f2g n VAL 56 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 1f2g n ARG 57 N -0.33 3.01 0.00 7.34 1.85 -1.26 -0.09 116.66 127.17 1f2g n ARG 57 Ca 0.03 -4.07 0.00 0.00 -1.00 0.00 0.00 57.85 52.81 1f2g n ARG 57 Cb 0.33 -2.06 0.00 0.00 -1.05 0.00 0.00 32.46 29.68 1f2g n ARG 57 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05