#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ld6 n PRO 2 N 0.00 2.48 -0.11 5.56 -0.02 -1.26 -4.92 135.00 136.73 1ld6 n PRO 2 Ca 0.00 0.88 -0.14 0.00 -2.02 0.00 0.00 63.50 62.22 1ld6 n PRO 2 Cb 0.00 -2.60 -0.10 0.00 -0.02 0.00 0.00 33.50 30.78 1ld6 n PRO 2 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1ld6 h ASP 3 N 4.09 -1.84 -0.82 2.55 1.82 -2.02 -0.05 116.42 120.16 1ld6 h ASP 3 Ca -0.47 0.23 0.24 0.00 -0.39 0.00 0.00 57.03 56.64 1ld6 h ASP 3 Cb 1.25 0.74 -0.03 0.00 0.68 0.00 0.00 39.33 41.97 1ld6 h ASP 3 CO 0.74 -0.43 0.60 2.19 -1.61 0.00 0.00 179.24 180.73 1ld6 h PHE 4 N -0.45 0.00 -0.01 0.28 -0.00 -1.98 0.31 116.94 115.10 1ld6 h PHE 4 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.03 1ld6 h PHE 4 Cb 0.62 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 36.57 1ld6 h PHE 4 CO -0.69 0.00 0.03 0.00 -0.00 0.00 0.00 178.31 177.65 1ld6 n LEU 6 N -3.21 0.30 -4.63 0.00 4.77 0.11 -4.49 117.00 109.84 1ld6 n LEU 6 Ca -0.03 0.43 -0.43 0.00 -0.03 0.00 0.00 56.01 55.96 1ld6 n LEU 6 Cb 0.10 -0.41 -0.02 0.00 -2.33 0.00 0.00 43.42 40.76 1ld6 n LEU 6 CO 0.21 -0.03 1.27 -1.61 -1.33 0.00 0.00 177.39 175.90 1ld6 s GLU 7 N -3.03 3.84 0.44 3.23 2.02 0.10 -4.79 118.70 120.50 1ld6 s GLU 7 Ca 0.12 1.48 -0.06 0.00 0.02 0.00 0.00 54.97 56.54 1ld6 s GLU 7 Cb 0.17 -3.97 -0.04 0.00 0.10 0.00 0.00 34.13 30.38 1ld6 s GLU 7 CO 0.58 -1.23 0.75 -1.25 0.02 0.00 0.00 175.26 174.13 1ld6 s PRO 8 N 4.47 3.61 0.32 0.39 0.04 -1.26 -4.71 135.00 137.86 1ld6 s PRO 8 Ca 0.65 0.22 -0.27 0.00 0.04 0.00 0.00 61.00 61.64 1ld6 s PRO 8 Cb -0.21 -2.42 -0.09 0.00 0.04 0.00 0.00 34.50 31.81 1ld6 s PRO 8 CO 0.27 -0.10 1.01 -1.25 0.04 0.00 0.00 177.00 176.97 1ld6 s PRO 9 N -4.38 4.51 -0.07 0.56 0.04 -1.26 -5.02 135.00 129.38 1ld6 s PRO 9 Ca 0.48 1.53 -0.22 0.00 0.04 0.00 0.00 61.00 62.82 1ld6 s PRO 9 Cb -0.10 -2.89 -0.04 0.00 0.04 0.00 0.00 34.50 31.50 1ld6 s PRO 9 CO 0.40 0.17 0.64 1.52 0.04 0.00 0.00 177.00 179.77 1ld6 s TYR 10 N -1.45 3.58 -0.73 0.56 1.13 -1.26 -4.99 117.35 114.19 1ld6 s TYR 10 Ca 0.50 1.17 -0.16 0.00 -1.41 0.00 0.00 57.07 57.17 1ld6 s TYR 10 Cb -0.24 -2.73 0.17 0.00 -1.10 0.00 0.00 41.96 38.06 1ld6 s TYR 10 CO 0.31 0.14 0.73 0.00 -2.51 0.00 0.00 175.55 174.21 1ld6 s ALA 11 N 0.63 3.81 0.00 9.51 0.00 -1.26 -3.12 121.76 131.33 1ld6 s ALA 11 Ca 0.34 -2.92 0.00 0.00 0.00 0.00 0.00 51.96 49.39 1ld6 s ALA 11 Cb -0.17 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.44 1ld6 s ALA 11 CO 0.16 -2.29 0.00 0.41 0.00 0.00 0.00 175.76 174.04 1ld6 n GLY 12 N 4.64 0.79 3.15 0.00 0.00 -1.26 -5.04 105.19 107.46 1ld6 n GLY 12 Ca 0.04 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.10 1ld6 n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ld6 s ALA 13 N -2.14 -2.61 -0.29 4.61 0.00 -1.26 -4.95 121.76 115.12 1ld6 s ALA 13 Ca 0.00 0.94 -0.16 0.00 0.00 0.00 0.00 51.96 52.74 1ld6 s ALA 13 Cb 0.00 -2.62 0.12 0.00 0.00 0.00 0.00 23.12 20.62 1ld6 s ALA 13 CO 0.00 -1.94 0.85 0.00 0.00 0.00 0.00 175.76 174.67 1ld6 s ARG 15 N 1.45 4.47 -0.17 0.00 1.81 -1.26 -4.19 118.95 121.06 1ld6 s ARG 15 Ca -0.09 1.34 -0.29 0.00 -1.72 0.00 0.00 55.73 54.97 1ld6 s ARG 15 Cb -0.04 -3.51 0.11 0.00 -0.45 0.00 0.00 34.95 31.06 1ld6 s ARG 15 CO -0.17 -0.18 0.93 0.00 -0.68 0.00 0.00 175.30 175.19 1ld6 s ALA 16 N 1.54 -1.90 -0.35 2.13 0.00 -1.26 -5.07 121.76 116.85 1ld6 s ALA 16 Ca 0.48 1.62 0.10 0.00 0.00 0.00 0.00 51.96 54.16 1ld6 s ALA 16 Cb -0.19 -0.74 0.37 0.00 0.00 0.00 0.00 23.12 22.55 1ld6 s ALA 16 CO 0.22 -0.31 1.41 0.00 0.00 0.00 0.00 175.76 177.08 1ld6 n ALA 17 N 1.17 1.83 -1.37 0.00 0.00 -1.26 -4.84 120.51 116.04 1ld6 n ALA 17 Ca -0.13 -1.05 -0.31 0.00 0.00 0.00 0.00 53.44 51.96 1ld6 n ALA 17 Cb 0.57 -0.89 0.09 0.00 0.00 0.00 0.00 19.45 19.23 1ld6 n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ld6 s ALA 18 N 0.15 2.20 0.00 0.00 0.00 -1.26 -4.90 121.76 117.95 1ld6 s ALA 18 Ca 0.14 0.08 -0.03 0.00 0.00 0.00 0.00 51.96 52.14 1ld6 s ALA 18 Cb 0.40 -3.21 -0.14 0.00 0.00 0.00 0.00 23.12 20.17 1ld6 s ALA 18 CO -0.10 -1.76 2.79 0.00 0.00 0.00 0.00 175.76 176.68 1ld6 n ALA 19 N -3.50 5.15 -2.58 0.00 0.00 -1.26 -4.87 120.51 113.45 1ld6 n ALA 19 Ca 0.08 -0.94 -0.20 0.00 0.00 0.00 0.00 53.44 52.38 1ld6 n ALA 19 Cb 0.54 -1.71 -0.02 0.00 0.00 0.00 0.00 19.45 18.27 1ld6 n ALA 19 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1ld6 s ARG 20 N 0.58 3.05 0.07 0.00 0.52 -1.26 -4.53 118.95 117.38 1ld6 s ARG 20 Ca 0.34 -1.05 0.01 0.00 -0.52 0.00 0.00 55.73 54.52 1ld6 s ARG 20 Cb 0.16 -2.72 -0.04 0.00 0.52 0.00 0.00 34.95 32.87 1ld6 s ARG 20 CO 0.00 0.15 -0.06 0.71 0.02 0.00 0.00 175.30 176.12 1ld6 s TYR 21 N -2.17 0.73 0.07 -0.53 1.51 0.32 -4.11 117.35 113.17 1ld6 s TYR 21 Ca 0.41 -0.81 -0.06 0.00 -1.01 0.00 0.00 57.07 55.61 1ld6 s TYR 21 Cb -0.08 -0.44 -0.02 0.00 -0.11 0.00 0.00 41.96 41.31 1ld6 s TYR 21 CO 0.29 -0.17 0.11 -0.59 -1.11 0.00 0.00 175.55 174.08 1ld6 s PHE 22 N -2.94 0.28 0.21 2.71 -0.12 -0.42 0.11 117.98 117.82 1ld6 s PHE 22 Ca 0.03 -0.75 -0.18 0.00 -0.05 0.00 0.00 56.93 55.98 1ld6 s PHE 22 Cb 0.01 -0.18 -0.08 0.00 -0.63 0.00 0.00 43.02 42.14 1ld6 s PHE 22 CO -0.04 -0.48 0.69 -0.47 -0.05 0.00 0.00 175.22 174.86 1ld6 s TYR 23 N -3.86 3.61 -0.65 3.49 5.04 -1.26 -0.50 117.35 123.22 1ld6 s TYR 23 Ca 0.05 1.30 -0.01 0.00 -2.44 0.00 0.00 57.07 55.97 1ld6 s TYR 23 Cb 0.06 -2.55 0.17 0.00 0.35 0.00 0.00 41.96 39.98 1ld6 s TYR 23 CO -0.11 0.33 0.46 1.21 -1.34 0.00 0.00 175.55 176.11 1ld6 s ASN 24 N -1.73 5.13 0.62 4.32 3.84 0.15 -4.79 114.94 122.48 1ld6 s ASN 24 Ca 0.43 -3.11 0.28 0.00 0.21 0.00 0.00 52.86 50.67 1ld6 s ASN 24 Cb -0.16 -1.80 1.48 0.00 -0.55 0.00 0.00 41.25 40.22 1ld6 s ASN 24 CO 0.20 -0.29 1.87 0.00 -2.79 0.00 0.00 177.10 176.10 1ld6 h ALA 25 N 6.63 1.91 -0.01 1.71 0.00 -1.83 0.84 119.26 128.50 1ld6 h ALA 25 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ld6 h ALA 25 Cb 0.90 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1ld6 h ALA 25 CO 0.73 -0.61 -0.04 1.17 0.00 0.00 0.00 179.25 180.50 1ld6 n LYS 26 N -3.41 1.43 0.00 0.00 0.00 -1.26 -4.18 118.16 110.73 1ld6 n LYS 26 Ca 0.05 -0.76 0.00 0.00 0.00 0.00 0.00 58.31 57.60 1ld6 n LYS 26 Cb 0.59 -1.48 0.00 0.00 0.00 0.00 0.00 35.03 34.14 1ld6 n LYS 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ld6 n ALA 27 N -0.13 0.00 -0.45 3.14 0.00 0.23 -5.01 120.51 118.29 1ld6 n ALA 27 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1ld6 n ALA 27 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.77 1ld6 n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ld6 n GLY 28 N 0.00 0.59 3.68 0.00 0.00 0.19 -4.94 105.19 104.71 1ld6 n GLY 28 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1ld6 n GLY 28 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ld6 s LEU 29 N 0.00 2.79 0.56 0.99 1.02 -1.24 -4.87 118.68 117.93 1ld6 s LEU 29 Ca 0.00 -1.38 0.09 0.00 0.02 0.00 0.00 54.13 52.86 1ld6 s LEU 29 Cb 0.00 -0.96 0.07 0.00 0.02 0.00 0.00 46.19 45.33 1ld6 s LEU 29 CO 0.00 -0.56 0.74 0.00 0.02 0.00 0.00 176.35 176.54 1ld6 s GLN 31 N -4.60 0.38 -0.08 0.00 2.00 0.35 -4.86 119.66 112.84 1ld6 s GLN 31 Ca 0.59 0.50 0.00 0.00 -2.00 0.00 0.00 55.36 54.45 1ld6 s GLN 31 Cb -0.06 0.16 0.10 0.00 0.80 0.00 0.00 33.01 34.01 1ld6 s GLN 31 CO 0.37 -0.06 1.30 -2.37 -0.50 0.00 0.00 175.29 174.03 1ld6 n THR 32 N 3.07 1.52 -1.09 -0.34 5.66 -1.26 -1.30 114.28 120.55 1ld6 n THR 32 Ca -0.14 -0.42 0.13 0.00 -3.05 0.00 0.00 64.05 60.57 1ld6 n THR 32 Cb 0.57 -1.01 -0.07 0.00 -1.55 0.00 0.00 70.33 68.27 1ld6 n THR 32 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 1ld6 n PHE 33 N 0.39 -2.92 -3.79 1.09 3.72 -1.26 -4.70 117.46 109.99 1ld6 n PHE 33 Ca 0.10 1.62 -0.03 0.00 -0.05 0.00 0.00 57.45 59.08 1ld6 n PHE 33 Cb 0.66 -2.66 -0.00 0.00 -0.94 0.00 0.00 39.48 36.54 1ld6 n PHE 33 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ld6 s ALA 34 N -4.03 -1.62 0.00 4.37 0.00 -1.26 -5.07 121.76 114.14 1ld6 s ALA 34 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 51.94 1ld6 s ALA 34 Cb 0.00 0.66 0.00 0.00 0.00 0.00 0.00 23.12 23.78 1ld6 s ALA 34 CO 0.00 -1.05 0.00 0.98 0.00 0.00 0.00 175.76 175.69 1ld6 n TYR 35 N -0.54 -0.75 0.61 0.00 4.19 -1.26 -1.79 117.16 117.63 1ld6 n TYR 35 Ca -0.05 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.16 1ld6 n TYR 35 Cb 0.60 0.05 0.00 0.00 0.49 0.00 0.00 39.34 40.48 1ld6 n TYR 35 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1ld6 n GLY 36 N 0.00 0.99 3.72 2.98 0.00 -1.26 -4.67 105.19 106.95 1ld6 n GLY 36 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1ld6 n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ld6 s ALA 37 N -0.71 3.71 0.42 4.61 0.00 -0.74 -2.88 121.76 126.17 1ld6 s ALA 37 Ca 0.00 1.30 -0.13 0.00 0.00 0.00 0.00 51.96 53.13 1ld6 s ALA 37 Cb 0.00 -3.59 -0.07 0.00 0.00 0.00 0.00 23.12 19.46 1ld6 s ALA 37 CO 0.00 -0.73 0.83 0.00 0.00 0.00 0.00 175.76 175.86 1ld6 s ALA 39 N -2.37 3.55 0.44 0.00 0.00 -1.26 -4.53 121.76 117.58 1ld6 s ALA 39 Ca 0.54 1.11 -0.19 0.00 0.00 0.00 0.00 51.96 53.42 1ld6 s ALA 39 Cb -0.10 -3.50 -0.10 0.00 0.00 0.00 0.00 23.12 19.41 1ld6 s ALA 39 CO 0.28 -0.57 0.93 0.00 0.00 0.00 0.00 175.76 176.40 1ld6 s ALA 40 N 0.54 3.09 0.01 0.00 0.00 -1.26 -5.02 121.76 119.13 1ld6 s ALA 40 Ca 0.60 0.29 -0.14 0.00 0.00 0.00 0.00 51.96 52.71 1ld6 s ALA 40 Cb -0.37 -3.09 -0.08 0.00 0.00 0.00 0.00 23.12 19.59 1ld6 s ALA 40 CO 0.35 0.07 1.03 -0.22 0.00 0.00 0.00 175.76 176.99 1ld6 h LYS 41 N 1.71 -0.49 0.15 0.00 3.64 -1.98 -3.38 116.57 116.21 1ld6 h LYS 41 Ca -0.48 0.03 -0.30 0.00 -1.27 0.00 0.00 60.65 58.63 1ld6 h LYS 41 Cb 1.18 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 1ld6 h LYS 41 CO 0.62 -0.33 -1.52 0.00 -2.27 0.00 0.00 179.45 175.95 1ld6 h ARG 42 N -0.60 0.31 -4.21 1.90 2.47 -1.95 -3.40 114.38 108.90 1ld6 h ARG 42 Ca -0.05 -0.53 -0.67 0.00 -1.26 0.00 0.00 59.98 57.47 1ld6 h ARG 42 Cb 0.39 0.20 0.01 0.00 -1.65 0.00 0.00 29.97 28.92 1ld6 h ARG 42 CO 0.09 1.25 2.71 -1.71 0.56 0.00 0.00 179.97 182.87 1ld6 n ASN 43 N -3.80 3.28 -3.23 7.04 2.85 -1.26 -4.72 115.26 115.42 1ld6 n ASN 43 Ca -0.24 -2.74 -0.02 0.00 -0.11 0.00 0.00 54.58 51.47 1ld6 n ASN 43 Cb 0.97 -1.36 -0.03 0.00 1.24 0.00 0.00 39.78 40.59 1ld6 n ASN 43 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1ld6 s ASN 44 N 4.11 -0.72 -0.02 1.20 4.22 -1.24 -4.12 114.94 118.37 1ld6 s ASN 44 Ca 0.53 0.32 0.01 0.00 -2.14 0.00 0.00 52.86 51.58 1ld6 s ASN 44 Cb 0.14 1.69 -0.03 0.00 1.28 0.00 0.00 41.25 44.32 1ld6 s ASN 44 CO 0.02 -0.30 -0.02 -0.36 -2.04 0.00 0.00 177.10 174.40 1ld6 s PHE 45 N 2.72 3.03 -0.02 1.54 0.40 0.30 -4.87 117.98 121.06 1ld6 s PHE 45 Ca 0.14 0.06 0.29 0.00 -0.60 0.00 0.00 56.93 56.83 1ld6 s PHE 45 Cb -0.13 -1.68 1.45 0.00 0.51 0.00 0.00 43.02 43.16 1ld6 s PHE 45 CO -0.23 0.42 1.88 0.87 0.70 0.00 0.00 175.22 178.86 1ld6 h LYS 46 N 4.66 0.00 -2.53 0.44 1.57 -1.86 0.93 116.57 119.78 1ld6 h LYS 46 Ca -0.49 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.20 1ld6 h LYS 46 Cb 1.18 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 33.28 1ld6 h LYS 46 CO 0.55 0.00 -0.06 -1.54 -0.57 0.00 0.00 179.45 177.83 1ld6 s SER 47 N -4.54 -0.44 0.32 0.86 1.04 -1.26 -4.72 113.70 104.96 1ld6 s SER 47 Ca -0.01 0.53 0.00 0.00 0.48 0.00 0.00 55.95 56.95 1ld6 s SER 47 Cb 0.09 0.56 0.55 0.00 0.10 0.00 0.00 66.02 67.31 1ld6 s SER 47 CO 0.33 -0.45 1.98 0.00 0.98 0.00 0.00 173.24 176.07 1ld6 h ALA 48 N 3.85 1.50 -0.85 5.32 0.00 -1.91 0.18 119.26 127.34 1ld6 h ALA 48 Ca -0.28 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 1ld6 h ALA 48 Cb 1.16 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 1ld6 h ALA 48 CO 0.35 0.45 0.53 1.49 0.00 0.00 0.00 179.25 182.06 1ld6 h GLU 49 N 0.99 1.14 -0.34 0.00 4.81 -1.98 0.19 114.58 119.40 1ld6 h GLU 49 Ca 0.29 -0.09 -0.03 0.00 -0.13 0.00 0.00 59.36 59.40 1ld6 h GLU 49 Cb -0.04 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.08 1ld6 h GLU 49 CO -0.07 0.78 0.08 0.22 -0.73 0.00 0.00 179.01 179.29 1ld6 h ASP 50 N 1.16 0.51 0.47 1.04 3.58 -1.14 0.13 116.42 122.17 1ld6 h ASP 50 Ca 0.31 -0.23 -0.02 0.00 0.42 0.00 0.00 57.03 57.50 1ld6 h ASP 50 Cb -0.08 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 40.84 1ld6 h ASP 50 CO -0.06 0.61 -0.22 0.00 -2.88 0.00 0.00 179.24 176.69 1ld6 h LEU 52 N -0.68 0.83 0.38 0.00 3.38 -0.61 1.29 115.31 119.91 1ld6 h LEU 52 Ca -0.06 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1ld6 h LEU 52 Cb 0.51 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1ld6 h LEU 52 CO 0.11 0.50 -0.18 -0.09 0.09 0.00 0.00 178.44 178.86 1ld6 h ARG 53 N 0.92 -0.49 0.02 1.13 2.43 -0.44 0.67 114.38 118.62 1ld6 h ARG 53 Ca 0.41 0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.61 1ld6 h ARG 53 Cb 0.35 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 1ld6 h ARG 53 CO -0.17 -0.31 -0.01 1.15 -1.51 0.00 0.00 179.97 179.12 1ld6 h THR 54 N -0.54 0.67 0.03 0.20 2.02 -0.93 -3.40 112.91 110.97 1ld6 h THR 54 Ca -0.05 -1.46 -0.24 0.00 0.77 0.00 0.00 66.41 65.43 1ld6 h THR 54 Cb 0.41 1.26 0.02 0.00 -1.74 0.00 0.00 68.15 68.10 1ld6 h THR 54 CO 0.09 0.22 -0.95 0.00 0.37 0.00 0.00 175.52 175.25 1ld6 n GLY 56 N 1.17 0.80 0.00 0.00 0.00 0.23 -4.77 105.19 102.63 1ld6 n GLY 56 Ca -0.12 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.30 1ld6 n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ld6 n GLY 57 N 5.00 3.48 0.00 -0.02 0.00 -0.91 -4.70 105.19 108.04 1ld6 n GLY 57 Ca 0.00 -0.60 0.13 0.00 0.00 0.00 0.00 46.02 45.55 1ld6 n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32