#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 1.80 -0.18 2.89 -0.02 -1.26 -4.88 135.00 133.35 1ld6 n PRO 2 Ca 0.00 0.64 -0.04 0.00 -2.02 0.00 0.00 63.50 62.09 1ld6 n PRO 2 Cb 0.00 -2.30 0.03 0.00 -0.02 0.00 0.00 33.50 31.21 1ld6 n PRO 2 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1ld6 h ASP 3 N 4.58 -0.80 -0.18 2.55 5.19 -2.03 0.82 116.42 126.55 1ld6 h ASP 3 Ca -0.45 0.19 0.05 0.00 -0.62 0.00 0.00 57.03 56.20 1ld6 h ASP 3 Cb 1.29 0.44 -0.01 0.00 0.18 0.00 0.00 39.33 41.23 1ld6 h ASP 3 CO 0.79 -0.25 0.43 2.19 -3.12 0.00 0.00 179.24 179.27 1ld6 h PHE 4 N -0.10 0.00 -0.01 4.55 -0.00 -1.98 0.29 116.94 119.70 1ld6 h PHE 4 Ca 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.22 1ld6 h PHE 4 Cb 0.49 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 36.44 1ld6 h PHE 4 CO -0.53 0.00 0.11 0.00 -0.00 0.00 0.00 178.31 177.89 1ld6 h LEU 6 N 0.00 0.00 -8.83 0.00 3.38 -0.56 -3.21 115.31 106.08 1ld6 h LEU 6 Ca 0.00 -0.03 -0.57 0.00 0.09 0.00 0.00 57.88 57.38 1ld6 h LEU 6 Cb 0.23 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.93 1ld6 h LEU 6 CO -0.00 0.01 1.04 -0.70 0.09 0.00 0.00 178.44 178.88 1ld6 s GLU 7 N -3.18 3.67 0.33 1.13 2.56 0.13 -4.91 118.70 118.42 1ld6 s GLU 7 Ca 0.07 1.00 -0.00 0.00 0.00 0.00 0.00 54.97 56.04 1ld6 s GLU 7 Cb 0.09 -3.98 -0.04 0.00 2.00 0.00 0.00 34.13 32.20 1ld6 s GLU 7 CO 0.66 -1.44 0.54 -1.25 -0.56 0.00 0.00 175.26 173.22 1ld6 s PRO 8 N 4.70 3.51 0.00 4.30 0.04 -1.26 -4.63 135.00 141.66 1ld6 s PRO 8 Ca 0.59 -0.28 0.00 0.00 0.04 0.00 0.00 61.00 61.36 1ld6 s PRO 8 Cb -0.14 -2.67 0.00 0.00 0.04 0.00 0.00 34.50 31.73 1ld6 s PRO 8 CO 0.30 0.18 0.00 -0.35 0.04 0.00 0.00 177.00 177.17 1ld6 n PRO 9 N -1.57 0.59 -3.75 0.56 -0.04 -1.26 -4.86 135.00 124.68 1ld6 n PRO 9 Ca -0.04 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.28 1ld6 n PRO 9 Cb 0.56 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.92 1ld6 n PRO 9 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1ld6 s TYR 10 N -0.27 -0.31 -0.28 0.54 1.13 -1.26 -5.05 117.35 111.85 1ld6 s TYR 10 Ca 0.00 0.66 -0.05 0.00 -1.41 0.00 0.00 57.07 56.27 1ld6 s TYR 10 Cb 0.00 0.13 0.01 0.00 -1.10 0.00 0.00 41.96 41.00 1ld6 s TYR 10 CO 0.00 -0.30 0.03 0.00 -2.51 0.00 0.00 175.55 172.78 1ld6 s ALA 11 N -0.55 2.95 0.00 9.51 0.00 -1.26 -1.93 121.76 130.48 1ld6 s ALA 11 Ca -0.07 -1.44 0.00 0.00 0.00 0.00 0.00 51.96 50.45 1ld6 s ALA 11 Cb -0.04 -1.99 0.00 0.00 0.00 0.00 0.00 23.12 21.09 1ld6 s ALA 11 CO 0.03 -0.87 0.00 0.41 0.00 0.00 0.00 175.76 175.32 1ld6 n GLY 12 N 4.80 4.47 3.35 0.00 0.00 -1.25 -5.02 105.19 111.54 1ld6 n GLY 12 Ca -0.15 -0.61 -0.19 0.00 0.00 0.00 0.00 46.02 45.07 1ld6 n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ld6 n ALA 13 N -1.36 -1.58 -3.83 4.61 0.00 -1.26 -4.81 120.51 112.28 1ld6 n ALA 13 Ca 0.00 0.15 -0.07 0.00 0.00 0.00 0.00 53.44 53.51 1ld6 n ALA 13 Cb 0.00 -3.63 0.02 0.00 0.00 0.00 0.00 19.45 15.84 1ld6 n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ld6 n ARG 15 N -0.55 0.12 -2.19 0.00 3.00 -1.25 -4.66 116.66 111.13 1ld6 n ARG 15 Ca -0.07 -0.50 -0.43 0.00 -0.01 0.00 0.00 57.85 56.85 1ld6 n ARG 15 Cb 0.60 0.48 -0.02 0.00 0.00 0.00 0.00 32.46 33.51 1ld6 n ARG 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ld6 s ALA 16 N -1.82 3.49 -0.46 7.54 0.00 -1.26 -4.33 121.76 124.92 1ld6 s ALA 16 Ca 0.05 0.58 0.06 0.00 0.00 0.00 0.00 51.96 52.65 1ld6 s ALA 16 Cb -0.00 -3.75 0.32 0.00 0.00 0.00 0.00 23.12 19.69 1ld6 s ALA 16 CO 0.04 -1.56 1.12 0.00 0.00 0.00 0.00 175.76 175.36 1ld6 n ALA 17 N 7.48 -0.89 -1.82 0.00 0.00 -1.26 -5.08 120.51 118.95 1ld6 n ALA 17 Ca 0.17 -1.42 -0.41 0.00 0.00 0.00 0.00 53.44 51.77 1ld6 n ALA 17 Cb 0.44 -1.23 -0.02 0.00 0.00 0.00 0.00 19.45 18.64 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 0.28 3.60 0.00 0.00 0.00 -1.26 -4.76 121.76 119.61 1ld6 s ALA 18 Ca 0.22 1.39 0.00 0.00 0.00 0.00 0.00 51.96 53.57 1ld6 s ALA 18 Cb 0.29 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.85 1ld6 s ALA 18 CO -0.06 -0.81 0.00 0.00 0.00 0.00 0.00 175.76 174.89 1ld6 n ALA 19 N 1.62 0.00 -4.56 0.00 0.00 -1.26 -5.06 120.51 111.24 1ld6 n ALA 19 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.23 1ld6 n ALA 19 Cb 0.40 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.79 1ld6 n ALA 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ld6 n ARG 20 N -1.26 0.95 -4.33 0.00 1.74 -1.26 -4.85 116.66 107.65 1ld6 n ARG 20 Ca 0.00 -2.98 -0.17 0.00 -0.77 0.00 0.00 57.85 53.93 1ld6 n ARG 20 Cb 0.00 0.92 -0.10 0.00 -1.02 0.00 0.00 32.46 32.26 1ld6 n ARG 20 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1ld6 s TYR 21 N -2.54 1.56 0.02 -1.55 1.51 -0.78 -3.34 117.35 112.23 1ld6 s TYR 21 Ca 0.03 -0.99 -0.05 0.00 -1.01 0.00 0.00 57.07 55.04 1ld6 s TYR 21 Cb 0.00 -0.92 -0.01 0.00 -0.11 0.00 0.00 41.96 40.92 1ld6 s TYR 21 CO 0.02 -0.12 0.08 -0.59 -1.11 0.00 0.00 175.55 173.83 1ld6 s PHE 22 N -3.51 0.17 0.18 2.71 -0.71 -0.64 -0.28 117.98 115.90 1ld6 s PHE 22 Ca 0.31 -0.41 -0.19 0.00 -1.04 0.00 0.00 56.93 55.60 1ld6 s PHE 22 Cb 0.07 -0.13 -0.08 0.00 -1.21 0.00 0.00 43.02 41.67 1ld6 s PHE 22 CO 0.10 -0.31 0.68 -0.47 -1.34 0.00 0.00 175.22 173.88 1ld6 s TYR 23 N -2.05 3.69 -0.37 3.49 5.04 -1.26 -0.61 117.35 125.27 1ld6 s TYR 23 Ca -0.10 1.35 -0.01 0.00 -2.44 0.00 0.00 57.07 55.87 1ld6 s TYR 23 Cb -0.05 -2.58 0.10 0.00 0.35 0.00 0.00 41.96 39.78 1ld6 s TYR 23 CO -0.02 0.41 0.13 1.21 -1.34 0.00 0.00 175.55 175.93 1ld6 s ASN 24 N -1.53 5.07 0.57 4.32 3.84 0.44 -4.86 114.94 122.78 1ld6 s ASN 24 Ca 0.39 -1.90 0.26 0.00 0.21 0.00 0.00 52.86 51.82 1ld6 s ASN 24 Cb -0.17 -1.76 1.56 0.00 -0.55 0.00 0.00 41.25 40.33 1ld6 s ASN 24 CO 0.21 -0.45 2.09 0.00 -2.79 0.00 0.00 177.10 176.16 1ld6 h ALA 25 N 7.94 1.96 0.00 1.71 0.00 -1.84 0.67 119.26 129.70 1ld6 h ALA 25 Ca -0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1ld6 h ALA 25 Cb 1.04 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1ld6 h ALA 25 CO 0.62 -0.32 -0.50 1.17 0.00 0.00 0.00 179.25 180.22 1ld6 n LYS 26 N -4.01 0.21 -0.00 0.00 0.00 -1.26 -4.03 118.16 109.08 1ld6 n LYS 26 Ca 0.03 0.08 0.03 0.00 0.00 0.00 0.00 58.31 58.44 1ld6 n LYS 26 Cb 0.35 -1.65 -0.03 0.00 0.00 0.00 0.00 35.03 33.69 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 -1.74 2.49 -0.31 3.14 0.00 -0.00 -5.00 120.51 119.09 1ld6 n ALA 27 Ca 0.04 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1ld6 n ALA 27 Cb 0.41 -0.19 0.00 0.00 0.00 0.00 0.00 19.45 19.67 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 1.55 1.68 3.55 0.00 0.00 0.21 -4.95 105.19 107.24 1ld6 n GLY 28 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 2.09 0.39 0.99 1.02 -1.24 -4.37 118.68 117.57 1ld6 s LEU 29 Ca 0.00 -1.62 0.07 0.00 0.02 0.00 0.00 54.13 52.61 1ld6 s LEU 29 Cb 0.00 -0.28 -0.00 0.00 0.02 0.00 0.00 46.19 45.93 1ld6 s LEU 29 CO 0.00 -0.86 0.49 0.00 0.02 0.00 0.00 176.35 176.00 1ld6 s GLN 31 N -4.23 0.64 0.36 0.00 2.00 0.22 -4.92 119.66 113.73 1ld6 s GLN 31 Ca 0.50 0.26 -0.25 0.00 -2.00 0.00 0.00 55.36 53.87 1ld6 s GLN 31 Cb -0.08 0.30 -0.10 0.00 0.80 0.00 0.00 33.01 33.92 1ld6 s GLN 31 CO 0.31 -0.14 0.96 -0.08 -0.50 0.00 0.00 175.29 175.83 1ld6 s THR 32 N -0.55 4.20 0.27 -0.34 -1.32 -1.26 -1.63 115.64 115.02 1ld6 s THR 32 Ca -0.07 1.70 -0.31 0.00 -1.21 0.00 0.00 61.69 61.81 1ld6 s THR 32 Cb -0.03 -3.88 -0.12 0.00 -1.51 0.00 0.00 72.50 66.95 1ld6 s THR 32 CO 0.03 0.02 1.57 0.49 -2.21 0.00 0.00 174.62 174.52 1ld6 n PHE 33 N 0.22 2.70 -3.80 9.09 3.01 -1.21 -4.98 117.46 122.48 1ld6 n PHE 33 Ca 0.03 0.27 -0.05 0.00 1.01 0.00 0.00 57.45 58.72 1ld6 n PHE 33 Cb 0.51 -2.58 -0.01 0.00 -0.01 0.00 0.00 39.48 37.39 1ld6 n PHE 33 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ld6 s ALA 34 N 0.11 -1.46 -1.01 4.37 0.00 -1.26 -4.26 121.76 118.25 1ld6 s ALA 34 Ca 0.66 -0.12 -0.10 0.00 0.00 0.00 0.00 51.96 52.40 1ld6 s ALA 34 Cb -0.53 0.71 -0.03 0.00 0.00 0.00 0.00 23.12 23.27 1ld6 s ALA 34 CO 0.47 -1.04 0.81 0.98 0.00 0.00 0.00 175.76 176.98 1ld6 n TYR 35 N -0.50 -2.32 -0.49 0.00 4.19 -1.26 -1.53 117.16 115.24 1ld6 n TYR 35 Ca -0.05 0.75 0.00 0.00 3.31 0.00 0.00 57.90 61.90 1ld6 n TYR 35 Cb 0.60 -3.76 0.00 0.00 0.49 0.00 0.00 39.34 36.67 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 -1.53 0.00 3.70 2.98 0.00 -1.26 -4.85 105.19 104.22 1ld6 n GLY 36 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.62 3.70 0.79 4.61 0.00 -0.58 -3.80 121.76 125.85 1ld6 s ALA 37 Ca 0.00 1.23 -0.08 0.00 0.00 0.00 0.00 51.96 53.12 1ld6 s ALA 37 Cb 0.00 -3.68 0.12 0.00 0.00 0.00 0.00 23.12 19.56 1ld6 s ALA 37 CO 0.00 -1.03 1.10 0.00 0.00 0.00 0.00 175.76 175.83 1ld6 s ALA 39 N -3.42 3.47 0.85 0.00 0.00 -1.26 -4.46 121.76 116.94 1ld6 s ALA 39 Ca 0.66 0.93 -0.12 0.00 0.00 0.00 0.00 51.96 53.44 1ld6 s ALA 39 Cb -0.07 -3.49 0.10 0.00 0.00 0.00 0.00 23.12 19.66 1ld6 s ALA 39 CO 0.47 -0.54 1.10 0.00 0.00 0.00 0.00 175.76 176.79 1ld6 s ALA 40 N 1.21 1.92 0.00 0.00 0.00 -1.26 -4.91 121.76 118.72 1ld6 s ALA 40 Ca 0.61 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.38 1ld6 s ALA 40 Cb -0.32 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.67 1ld6 s ALA 40 CO 0.29 -2.03 0.38 1.17 0.00 0.00 0.00 175.76 175.58 1ld6 n LYS 41 N -3.64 0.00 0.01 0.00 4.81 -1.26 -4.48 118.16 113.60 1ld6 n LYS 41 Ca 0.07 0.00 0.02 0.00 -0.87 0.00 0.00 58.31 57.53 1ld6 n LYS 41 Cb 0.56 -0.88 -0.10 0.00 0.02 0.00 0.00 35.03 34.63 1ld6 n LYS 41 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46 1ld6 n ARG 42 N -0.44 0.64 -2.27 1.64 1.85 -1.26 -4.69 116.66 112.12 1ld6 n ARG 42 Ca 0.00 0.09 -0.36 0.00 -1.00 0.00 0.00 57.85 56.58 1ld6 n ARG 42 Cb 0.00 -1.70 -0.03 0.00 -1.05 0.00 0.00 32.46 29.68 1ld6 n ARG 42 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 1ld6 n ASN 43 N -2.72 4.00 -3.25 2.89 2.85 -1.26 -4.79 115.26 112.98 1ld6 n ASN 43 Ca -0.12 -2.81 -0.03 0.00 -0.11 0.00 0.00 54.58 51.51 1ld6 n ASN 43 Cb 0.81 -1.72 -0.04 0.00 1.24 0.00 0.00 39.78 40.07 1ld6 n ASN 43 CO 0.00 0.00 0.00 0.20 -2.11 0.00 0.00 177.26 175.35 1ld6 s ASN 44 N 5.21 -0.52 -0.09 1.20 -0.87 -1.26 -4.27 114.94 114.33 1ld6 s ASN 44 Ca 0.60 0.24 -0.04 0.00 -1.57 0.00 0.00 52.86 52.09 1ld6 s ASN 44 Cb 0.03 1.57 -0.04 0.00 -0.02 0.00 0.00 41.25 42.79 1ld6 s ASN 44 CO 0.10 -0.30 0.07 -0.36 -2.57 0.00 0.00 177.10 174.04 1ld6 s PHE 45 N 2.68 3.38 -0.15 2.20 0.08 0.61 -4.94 117.98 121.84 1ld6 s PHE 45 Ca 0.14 0.35 0.24 0.00 0.12 0.00 0.00 56.93 57.78 1ld6 s PHE 45 Cb -0.13 -1.85 1.27 0.00 -0.57 0.00 0.00 43.02 41.73 1ld6 s PHE 45 CO -0.23 0.60 1.73 -0.22 -0.10 0.00 0.00 175.22 177.01 1ld6 h LYS 46 N 4.97 0.00 -2.01 0.44 3.64 -1.94 -2.08 116.57 119.59 1ld6 h LYS 46 Ca -0.53 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 58.91 1ld6 h LYS 46 Cb 1.21 0.00 -0.19 0.00 -0.41 0.00 0.00 32.23 32.84 1ld6 h LYS 46 CO 0.57 0.00 0.43 -1.54 -2.27 0.00 0.00 179.45 176.64 1ld6 s SER 47 N -4.17 -0.44 0.31 4.20 1.04 -1.26 -4.80 113.70 108.58 1ld6 s SER 47 Ca -0.02 0.29 0.01 0.00 0.48 0.00 0.00 55.95 56.71 1ld6 s SER 47 Cb 0.07 0.40 0.54 0.00 0.10 0.00 0.00 66.02 67.14 1ld6 s SER 47 CO 0.24 -0.54 1.94 0.00 0.98 0.00 0.00 173.24 175.85 1ld6 h ALA 48 N 2.40 1.52 -0.66 5.32 0.00 -1.94 0.54 119.26 126.43 1ld6 h ALA 48 Ca -0.23 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1ld6 h ALA 48 Cb 1.20 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 1ld6 h ALA 48 CO 0.33 0.38 0.42 0.93 0.00 0.00 0.00 179.25 181.31 1ld6 h GLU 49 N 1.01 0.88 -0.05 0.00 5.08 -1.98 0.38 114.58 119.90 1ld6 h GLU 49 Ca 0.35 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.64 1ld6 h GLU 49 Cb 0.12 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 1ld6 h GLU 49 CO -0.12 0.60 -0.01 -0.44 -1.00 0.00 0.00 179.01 178.05 1ld6 h ASP 50 N 0.91 0.09 0.51 1.42 5.19 -0.49 -0.98 116.42 123.07 1ld6 h ASP 50 Ca 0.24 -0.36 -0.02 0.00 -0.62 0.00 0.00 57.03 56.26 1ld6 h ASP 50 Cb -0.07 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 39.42 1ld6 h ASP 50 CO -0.05 0.43 -0.24 0.00 -3.12 0.00 0.00 179.24 176.26 1ld6 h LEU 52 N -0.80 -0.69 -1.48 0.00 3.38 -0.34 0.96 115.31 116.34 1ld6 h LEU 52 Ca -0.07 0.13 0.06 0.00 0.09 0.00 0.00 57.88 58.09 1ld6 h LEU 52 Cb 0.57 0.34 -0.04 0.00 0.09 0.00 0.00 40.66 41.62 1ld6 h LEU 52 CO 0.11 -0.25 0.42 0.03 0.09 0.00 0.00 178.44 178.84 1ld6 h ARG 53 N -0.21 0.63 0.00 1.13 3.08 -1.14 0.85 114.38 118.71 1ld6 h ARG 53 Ca 0.14 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1ld6 h ARG 53 Cb 0.43 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1ld6 h ARG 53 CO -0.38 0.41 0.00 2.41 -1.07 0.00 0.00 179.97 181.35 1ld6 n THR 54 N -4.47 0.00 -0.01 2.04 -1.04 -0.02 -4.66 114.28 106.12 1ld6 n THR 54 Ca 0.09 0.47 0.05 0.00 -2.04 0.00 0.00 64.05 62.61 1ld6 n THR 54 Cb 0.22 -1.40 -0.13 0.00 -1.82 0.00 0.00 70.33 67.20 1ld6 n THR 54 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ld6 n GLY 56 N 1.37 -0.25 0.00 0.00 0.00 0.29 -4.84 105.19 101.77 1ld6 n GLY 56 Ca -0.10 0.84 0.00 0.00 0.00 0.00 0.00 46.02 46.75 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 6.27 4.36 2.47 -0.02 0.00 -1.26 -4.70 105.19 112.31 1ld6 n GLY 57 Ca 0.56 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.78 1ld6 n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32