#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oa5 n PRO 2 N 0.00 2.40 0.44 2.89 -0.02 -1.26 -4.73 135.00 134.72 1oa5 n PRO 2 Ca 0.00 0.00 -0.19 0.00 -2.02 0.00 0.00 63.50 61.29 1oa5 n PRO 2 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 33.50 33.39 1oa5 n PRO 2 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 1oa5 h ASP 3 N 0.00 -0.92 0.00 2.55 2.03 -2.00 -2.97 116.42 115.10 1oa5 h ASP 3 Ca 0.00 0.03 -0.03 0.00 -0.73 0.00 0.00 57.03 56.30 1oa5 h ASP 3 Cb 0.00 0.24 -0.01 0.00 -0.83 0.00 0.00 39.33 38.73 1oa5 h ASP 3 CO 0.00 -0.66 0.28 2.22 -1.03 0.00 0.00 179.24 180.05 1oa5 n PHE 4 N -5.56 0.00 -1.40 4.15 1.16 -1.26 -2.30 117.46 112.25 1oa5 n PHE 4 Ca -0.15 -0.25 0.00 0.00 -1.87 0.00 0.00 57.45 55.18 1oa5 n PHE 4 Cb 0.44 -0.56 0.00 0.00 -1.61 0.00 0.00 39.48 37.75 1oa5 n PHE 4 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1oa5 n LEU 6 N 0.00 2.56 -4.69 0.00 4.32 -0.97 -4.46 117.00 113.76 1oa5 n LEU 6 Ca 0.00 -0.02 -0.42 0.00 -0.02 0.00 0.00 56.01 55.55 1oa5 n LEU 6 Cb 0.48 -0.40 -0.03 0.00 -1.62 0.00 0.00 43.42 41.85 1oa5 n LEU 6 CO 0.00 0.61 1.47 -1.84 -1.22 0.00 0.00 177.39 176.41 1oa5 n GLU 7 N -2.99 2.78 -1.27 3.23 0.28 -1.26 -4.94 120.64 116.46 1oa5 n GLU 7 Ca -0.22 1.01 -0.33 0.00 -0.16 0.00 0.00 57.16 57.47 1oa5 n GLU 7 Cb 0.71 -2.90 0.10 0.00 1.43 0.00 0.00 31.44 30.79 1oa5 n GLU 7 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 1oa5 s PRO 8 N 2.66 1.97 0.07 3.44 0.04 -1.26 -4.67 135.00 137.24 1oa5 s PRO 8 Ca 0.82 1.57 -0.37 0.00 0.04 0.00 0.00 61.00 63.06 1oa5 s PRO 8 Cb -0.49 -1.83 -0.17 0.00 0.04 0.00 0.00 34.50 32.05 1oa5 s PRO 8 CO 0.37 -1.93 1.27 -0.35 0.04 0.00 0.00 177.00 176.40 1oa5 n PRO 9 N -3.17 0.88 -4.03 0.56 -0.04 -1.26 -4.95 135.00 122.99 1oa5 n PRO 9 Ca 0.12 0.32 -0.31 0.00 -0.04 0.00 0.00 63.50 63.58 1oa5 n PRO 9 Cb 0.51 -1.92 -0.15 0.00 -0.04 0.00 0.00 33.50 31.90 1oa5 n PRO 9 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1oa5 s TYR 10 N 0.34 3.30 0.09 0.54 5.04 -1.26 -4.97 117.35 120.43 1oa5 s TYR 10 Ca 0.85 -2.47 -0.10 0.00 -2.44 0.00 0.00 57.07 52.91 1oa5 s TYR 10 Cb -1.02 -2.20 -0.20 0.00 0.35 0.00 0.00 41.96 38.89 1oa5 s TYR 10 CO 0.49 -0.89 1.21 1.15 -1.34 0.00 0.00 175.55 176.17 1oa5 h THR 11 N 6.71 1.33 0.00 4.34 2.02 -1.91 -3.43 112.91 121.96 1oa5 h THR 11 Ca -0.14 -2.41 0.00 0.00 0.77 0.00 0.00 66.41 64.63 1oa5 h THR 11 Cb 1.04 2.49 0.00 0.00 -1.74 0.00 0.00 68.15 69.94 1oa5 h THR 11 CO 0.47 0.73 0.00 0.61 0.37 0.00 0.00 175.52 177.70 1oa5 n GLY 12 N 1.13 0.52 0.22 2.16 0.00 -1.26 0.67 105.19 108.62 1oa5 n GLY 12 Ca -0.10 -1.81 -0.09 0.00 0.00 0.00 0.00 46.02 44.02 1oa5 n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1oa5 h PRO 13 N 0.00 0.71 -7.22 1.61 0.13 -1.91 -3.43 132.00 121.89 1oa5 h PRO 13 Ca 0.00 -0.13 -0.49 0.00 -0.87 0.00 0.00 66.00 64.51 1oa5 h PRO 13 Cb 0.00 -0.11 0.20 0.00 0.13 0.00 0.00 31.00 31.22 1oa5 h PRO 13 CO 0.00 0.65 0.14 0.00 -0.23 0.00 0.00 178.00 178.56 1oa5 n LYS 15 N -4.50 1.34 -2.97 0.00 4.76 -1.20 -4.17 118.16 111.43 1oa5 n LYS 15 Ca 0.08 -3.51 -0.36 0.00 -2.87 0.00 0.00 58.31 51.65 1oa5 n LYS 15 Cb 0.53 -1.62 -0.06 0.00 -1.84 0.00 0.00 35.03 32.04 1oa5 n LYS 15 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1oa5 s ALA 16 N -2.81 3.31 -0.37 7.82 0.00 0.20 -4.90 121.76 125.01 1oa5 s ALA 16 Ca 0.37 0.30 -0.03 0.00 0.00 0.00 0.00 51.96 52.60 1oa5 s ALA 16 Cb 0.38 -2.96 -0.03 0.00 0.00 0.00 0.00 23.12 20.51 1oa5 s ALA 16 CO -0.05 0.26 1.50 0.54 0.00 0.00 0.00 175.76 178.02 1oa5 n ARG 17 N 0.52 0.93 -3.57 0.00 3.00 -1.26 -4.57 116.66 111.71 1oa5 n ARG 17 Ca 0.00 -0.85 -0.41 0.00 -0.01 0.00 0.00 57.85 56.59 1oa5 n ARG 17 Cb 0.51 -2.12 -0.08 0.00 0.00 0.00 0.00 32.46 30.77 1oa5 n ARG 17 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1oa5 s ILE 18 N 3.95 4.21 -0.04 0.55 1.01 -1.25 -5.05 121.20 124.58 1oa5 s ILE 18 Ca 0.19 -2.01 -0.22 0.00 0.00 0.00 0.00 60.65 58.60 1oa5 s ILE 18 Cb 0.05 -3.76 -0.04 0.00 0.01 0.00 0.00 42.46 38.72 1oa5 s ILE 18 CO -0.01 -0.81 0.66 -0.63 0.00 0.00 0.00 174.94 174.15 1oa5 s ILE 19 N 1.07 4.98 0.01 2.92 -1.09 -1.26 -0.57 121.20 127.26 1oa5 s ILE 19 Ca 0.08 1.37 0.00 0.00 -2.23 0.00 0.00 60.65 59.87 1oa5 s ILE 19 Cb -0.24 -4.00 -0.00 0.00 -1.58 0.00 0.00 42.46 36.64 1oa5 s ILE 19 CO -0.02 0.32 0.01 0.54 -1.23 0.00 0.00 174.94 174.56 1oa5 n ARG 20 N 3.34 0.01 -4.93 2.79 5.12 -0.89 -4.93 116.66 117.18 1oa5 n ARG 20 Ca -0.04 -0.09 -0.31 0.00 -1.93 0.00 0.00 57.85 55.48 1oa5 n ARG 20 Cb 0.51 0.08 -0.14 0.00 -1.16 0.00 0.00 32.46 31.75 1oa5 n ARG 20 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 1oa5 s TYR 21 N -2.18 2.51 0.40 -1.55 1.51 -1.01 -1.47 117.35 115.56 1oa5 s TYR 21 Ca 0.01 -0.30 0.05 0.00 -1.01 0.00 0.00 57.07 55.82 1oa5 s TYR 21 Cb 0.00 -1.51 -0.02 0.00 -0.11 0.00 0.00 41.96 40.32 1oa5 s TYR 21 CO 0.01 0.14 0.17 -0.59 -1.11 0.00 0.00 175.55 174.17 1oa5 s PHE 22 N -0.77 1.78 -0.28 2.71 -0.71 0.15 -0.23 117.98 120.63 1oa5 s PHE 22 Ca 0.12 -1.39 -0.08 0.00 -1.04 0.00 0.00 56.93 54.54 1oa5 s PHE 22 Cb -0.10 -1.07 -0.02 0.00 -1.21 0.00 0.00 43.02 40.62 1oa5 s PHE 22 CO 0.02 -0.44 0.10 -0.47 -1.34 0.00 0.00 175.22 173.09 1oa5 s TYR 23 N -3.23 3.13 -1.02 3.49 5.04 -1.26 -1.33 117.35 122.17 1oa5 s TYR 23 Ca 0.26 -0.53 -0.18 0.00 -2.44 0.00 0.00 57.07 54.18 1oa5 s TYR 23 Cb 0.02 -2.28 0.13 0.00 0.35 0.00 0.00 41.96 40.18 1oa5 s TYR 23 CO 0.17 -0.41 1.26 1.21 -1.34 0.00 0.00 175.55 176.44 1oa5 s ASN 24 N 1.60 6.72 0.05 4.32 3.84 0.17 -4.82 114.94 126.83 1oa5 s ASN 24 Ca 0.05 -2.21 0.12 0.00 0.21 0.00 0.00 52.86 51.04 1oa5 s ASN 24 Cb -0.16 -2.43 0.53 0.00 -0.55 0.00 0.00 41.25 38.64 1oa5 s ASN 24 CO 0.04 -1.05 1.38 0.00 -2.79 0.00 0.00 177.10 174.69 1oa5 n ALA 25 N 6.70 1.46 0.22 1.71 0.00 -1.26 -0.98 120.51 128.36 1oa5 n ALA 25 Ca 0.29 -0.01 0.09 0.00 0.00 0.00 0.00 53.44 53.81 1oa5 n ALA 25 Cb 0.48 -1.19 0.48 0.00 0.00 0.00 0.00 19.45 19.22 1oa5 n ALA 25 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1oa5 h LYS 26 N 0.00 0.00 0.00 0.00 3.11 -1.92 -3.30 116.57 114.46 1oa5 h LYS 26 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1oa5 h LYS 26 Cb 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.41 1oa5 h LYS 26 CO 0.00 0.25 -0.43 0.00 -2.81 0.00 0.00 179.45 176.45 1oa5 n ALA 27 N -2.27 1.43 -1.29 5.00 0.00 -0.96 -5.03 120.51 117.39 1oa5 n ALA 27 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1oa5 n ALA 27 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 1oa5 n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1oa5 n GLY 28 N 1.36 1.01 3.29 0.00 0.00 -0.16 -5.09 105.19 105.60 1oa5 n GLY 28 Ca 0.00 -0.38 -0.13 0.00 0.00 0.00 0.00 46.02 45.51 1oa5 n GLY 28 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1oa5 s LEU 29 N -0.44 0.63 0.55 0.99 2.96 -1.05 -5.02 118.68 117.30 1oa5 s LEU 29 Ca 0.00 0.02 -0.14 0.00 -0.22 0.00 0.00 54.13 53.78 1oa5 s LEU 29 Cb 0.00 1.52 -0.06 0.00 0.50 0.00 0.00 46.19 48.14 1oa5 s LEU 29 CO 0.00 -0.57 1.00 0.00 -1.32 0.00 0.00 176.35 175.46 1oa5 s GLN 31 N -4.48 1.48 0.55 0.00 -0.21 -0.44 -4.77 119.66 111.80 1oa5 s GLN 31 Ca 0.57 -1.09 -0.07 0.00 0.02 0.00 0.00 55.36 54.80 1oa5 s GLN 31 Cb -0.10 0.49 -0.02 0.00 1.00 0.00 0.00 33.01 34.38 1oa5 s GLN 31 CO 0.40 -0.62 0.88 0.95 -2.12 0.00 0.00 175.29 174.77 1oa5 s THR 32 N -3.95 4.35 0.32 -0.19 -4.23 -1.26 -0.67 115.64 110.01 1oa5 s THR 32 Ca 0.16 0.25 -0.17 0.00 -1.18 0.00 0.00 61.69 60.75 1oa5 s THR 32 Cb -0.01 -3.70 0.07 0.00 1.34 0.00 0.00 72.50 70.20 1oa5 s THR 32 CO 0.04 -0.75 0.87 2.22 -0.54 0.00 0.00 174.62 176.47 1oa5 n PHE 33 N -2.49 -2.03 -4.79 3.99 -1.74 -0.54 -4.76 117.46 105.09 1oa5 n PHE 33 Ca 0.03 -1.66 -0.33 0.00 -0.56 0.00 0.00 57.45 54.93 1oa5 n PHE 33 Cb 0.56 0.82 -0.15 0.00 1.52 0.00 0.00 39.48 42.23 1oa5 n PHE 33 CO 0.00 0.00 0.00 0.08 -0.56 0.00 0.00 176.76 176.28 1oa5 s VAL 34 N -2.09 2.71 -0.21 1.97 1.01 -1.26 -2.08 120.40 120.44 1oa5 s VAL 34 Ca 0.18 -0.78 -0.07 0.00 0.00 0.00 0.00 61.98 61.31 1oa5 s VAL 34 Cb -0.04 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 1oa5 s VAL 34 CO 0.10 0.53 0.07 -0.47 0.00 0.00 0.00 175.10 175.33 1oa5 s TYR 35 N 0.50 3.17 0.38 5.22 5.04 0.27 -4.43 117.35 127.49 1oa5 s TYR 35 Ca -0.11 -0.13 0.07 0.00 -2.44 0.00 0.00 57.07 54.46 1oa5 s TYR 35 Cb -0.16 -2.16 0.80 0.00 0.35 0.00 0.00 41.96 40.79 1oa5 s TYR 35 CO 0.05 -0.07 1.98 0.78 -1.34 0.00 0.00 175.55 176.94 1oa5 h GLY 36 N 7.41 0.85 0.00 8.97 0.00 0.07 -3.31 103.07 117.05 1oa5 h GLY 36 Ca -0.37 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 46.69 1oa5 h GLY 36 CO 0.64 0.21 0.00 0.61 0.00 0.00 0.00 176.54 177.99 1oa5 n GLY 37 N -1.46 1.41 3.21 4.60 0.00 -1.26 0.58 105.19 112.28 1oa5 n GLY 37 Ca 0.09 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.96 1oa5 n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oa5 n ARG 39 N 0.33 -5.86 -0.92 0.00 1.74 -1.26 -4.40 116.66 106.29 1oa5 n ARG 39 Ca -0.14 0.80 -0.16 0.00 -0.77 0.00 0.00 57.85 57.58 1oa5 n ARG 39 Cb 0.58 -5.72 0.12 0.00 -1.02 0.00 0.00 32.46 26.42 1oa5 n ARG 39 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1oa5 n ALA 40 N -4.08 -1.14 -3.31 7.54 0.00 -1.26 -4.64 120.51 113.63 1oa5 n ALA 40 Ca -0.27 -0.94 -0.02 0.00 0.00 0.00 0.00 53.44 52.21 1oa5 n ALA 40 Cb 0.67 -0.05 -0.01 0.00 0.00 0.00 0.00 19.45 20.06 1oa5 n ALA 40 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1oa5 n LYS 41 N -2.78 0.46 -0.05 0.00 4.76 -1.26 -5.05 118.16 114.24 1oa5 n LYS 41 Ca 0.09 -0.26 -0.16 0.00 -2.87 0.00 0.00 58.31 55.11 1oa5 n LYS 41 Cb 0.32 0.18 -0.06 0.00 -1.84 0.00 0.00 35.03 33.63 1oa5 n LYS 41 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1oa5 h ARG 42 N 0.00 0.84 -4.18 1.97 3.08 -1.94 -3.32 114.38 110.82 1oa5 h ARG 42 Ca -0.02 -0.62 -0.30 0.00 0.07 0.00 0.00 59.98 59.11 1oa5 h ARG 42 Cb 0.09 0.11 0.05 0.00 0.08 0.00 0.00 29.97 30.29 1oa5 h ARG 42 CO 0.03 1.24 1.60 -1.71 -1.07 0.00 0.00 179.97 180.06 1oa5 n ASN 43 N -3.97 1.61 -3.76 7.04 2.85 -1.26 -4.70 115.26 113.07 1oa5 n ASN 43 Ca -0.06 -2.27 -0.13 0.00 -0.11 0.00 0.00 54.58 52.00 1oa5 n ASN 43 Cb 0.70 -0.71 -0.14 0.00 1.24 0.00 0.00 39.78 40.88 1oa5 n ASN 43 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 1oa5 s ASN 44 N 5.13 -0.15 0.25 1.20 3.84 -1.25 -4.57 114.94 119.39 1oa5 s ASN 44 Ca 0.32 0.34 -0.02 0.00 0.21 0.00 0.00 52.86 53.71 1oa5 s ASN 44 Cb 0.08 0.26 -0.03 0.00 -0.55 0.00 0.00 41.25 41.01 1oa5 s ASN 44 CO 0.09 -0.13 0.27 -0.36 -2.79 0.00 0.00 177.10 174.18 1oa5 s PHE 45 N 0.91 1.08 -0.03 0.43 0.08 0.68 -4.99 117.98 116.14 1oa5 s PHE 45 Ca -0.07 -1.28 0.14 0.00 0.12 0.00 0.00 56.93 55.84 1oa5 s PHE 45 Cb -0.09 -0.37 -0.22 0.00 -0.57 0.00 0.00 43.02 41.77 1oa5 s PHE 45 CO -0.05 -0.81 0.30 0.36 -0.10 0.00 0.00 175.22 174.92 1oa5 n LYS 46 N -0.39 0.53 -4.11 0.44 2.85 -1.26 -2.40 118.16 113.83 1oa5 n LYS 46 Ca 0.02 -0.12 -0.08 0.00 -1.05 0.00 0.00 58.31 57.08 1oa5 n LYS 46 Cb 0.64 -1.35 -0.10 0.00 -0.65 0.00 0.00 35.03 33.57 1oa5 n LYS 46 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1oa5 s SER 47 N -3.74 0.60 0.18 -5.58 1.04 -1.26 -4.52 113.70 100.42 1oa5 s SER 47 Ca -0.05 -1.01 -0.10 0.00 0.48 0.00 0.00 55.95 55.27 1oa5 s SER 47 Cb 0.09 0.18 0.07 0.00 0.10 0.00 0.00 66.02 66.46 1oa5 s SER 47 CO 0.60 -0.58 1.65 0.00 0.98 0.00 0.00 173.24 175.90 1oa5 h ALA 48 N 3.11 0.81 -0.75 5.32 0.00 -1.95 -1.84 119.26 123.96 1oa5 h ALA 48 Ca -0.34 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.22 1oa5 h ALA 48 Cb 1.15 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 1oa5 h ALA 48 CO 0.66 0.61 0.23 0.93 0.00 0.00 0.00 179.25 181.67 1oa5 h GLU 49 N 0.94 1.16 0.15 0.00 3.07 -1.98 -0.37 114.58 117.56 1oa5 h GLU 49 Ca 0.18 -0.25 0.01 0.00 -0.50 0.00 0.00 59.36 58.79 1oa5 h GLU 49 Cb 0.49 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 28.21 1oa5 h GLU 49 CO 0.02 0.99 -0.19 -0.44 -1.40 0.00 0.00 179.01 177.99 1oa5 h ASP 50 N 1.11 -0.52 -0.68 1.42 5.19 -1.82 0.32 116.42 121.46 1oa5 h ASP 50 Ca 0.24 0.05 -0.03 0.00 -0.62 0.00 0.00 57.03 56.68 1oa5 h ASP 50 Cb 0.32 0.19 -0.03 0.00 0.18 0.00 0.00 39.33 39.98 1oa5 h ASP 50 CO -0.01 -0.28 0.32 0.00 -3.12 0.00 0.00 179.24 176.16 1oa5 h MET 52 N 0.94 0.33 0.00 0.00 2.86 -0.71 0.24 114.93 118.60 1oa5 h MET 52 Ca 0.23 -0.12 -0.06 0.00 -2.06 0.00 0.00 59.70 57.69 1oa5 h MET 52 Cb 0.13 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 1oa5 h MET 52 CO -0.03 0.59 -0.30 -0.09 1.06 0.00 0.00 176.91 178.14 1oa5 h ARG 53 N 0.05 0.00 0.00 1.72 1.12 -0.29 2.28 114.38 119.26 1oa5 h ARG 53 Ca 0.05 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.92 1oa5 h ARG 53 Cb 0.46 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.42 1oa5 h ARG 53 CO 0.02 0.30 -0.65 2.41 -3.11 0.00 0.00 179.97 178.93 1oa5 n THR 54 N -3.44 1.02 -0.06 0.20 -1.04 -0.31 -4.41 114.28 106.24 1oa5 n THR 54 Ca 0.00 0.25 -0.14 0.00 -2.04 0.00 0.00 64.05 62.12 1oa5 n THR 54 Cb 0.48 -2.05 -0.13 0.00 -1.82 0.00 0.00 70.33 66.81 1oa5 n THR 54 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1oa5 n GLY 56 N 1.59 -2.89 4.93 0.00 0.00 0.64 0.27 105.19 109.74 1oa5 n GLY 56 Ca -0.10 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1oa5 n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oa5 n GLY 57 N -0.46 0.57 0.00 -0.02 0.00 0.77 -1.41 105.19 104.63 1oa5 n GLY 57 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1oa5 n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32