#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b28 n LYS 2 N 0.00 0.00 0.00 0.03 3.00 -1.26 -5.15 118.16 114.78 1b28 n LYS 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1b28 n LYS 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1b28 n LYS 2 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1b28 n GLY 3 N 0.36 -0.59 0.44 3.14 0.00 -1.26 -4.95 105.19 102.34 1b28 n GLY 3 Ca 0.00 0.85 0.00 0.00 0.00 0.00 0.00 46.02 46.87 1b28 n GLY 3 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1b28 n MET 4 N 0.00 0.00 0.00 1.61 2.81 -1.26 -4.84 117.12 115.43 1b28 n MET 4 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1b28 n MET 4 Cb 0.00 -0.57 0.00 0.00 -0.71 0.00 0.00 33.22 31.94 1b28 n MET 4 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1b28 n SER 5 N -2.14 0.34 -1.59 7.83 7.64 -1.26 -4.71 113.62 119.73 1b28 n SER 5 Ca 0.00 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.83 1b28 n SER 5 Cb 0.21 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.42 1b28 n SER 5 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1b28 n LYS 6 N -1.88 1.23 0.09 1.43 2.85 -1.26 -4.19 118.16 116.43 1b28 n LYS 6 Ca 0.00 -0.45 0.00 0.00 -1.05 0.00 0.00 58.31 56.81 1b28 n LYS 6 Cb 0.06 -1.18 0.00 0.00 -0.65 0.00 0.00 35.03 33.26 1b28 n LYS 6 CO 0.00 0.00 0.00 -0.12 -0.05 0.00 0.00 177.40 177.23 1b28 n MET 7 N 1.11 0.00 -2.36 -1.58 0.00 -1.26 -4.99 117.12 108.04 1b28 n MET 7 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 57.70 57.36 1b28 n MET 7 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.75 1b28 n MET 7 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 1b28 n PRO 8 N -2.92 3.12 -3.55 2.12 -0.04 -1.26 -4.96 135.00 127.52 1b28 n PRO 8 Ca 0.00 -3.13 -0.37 0.00 -0.04 0.00 0.00 63.50 59.97 1b28 n PRO 8 Cb 0.00 -3.40 -0.06 0.00 -0.04 0.00 0.00 33.50 30.00 1b28 n PRO 8 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1b28 s GLN 9 N 3.72 3.83 -0.40 0.54 -0.21 -1.26 -4.82 119.66 121.07 1b28 s GLN 9 Ca 0.51 0.29 0.01 0.00 0.02 0.00 0.00 55.36 56.19 1b28 s GLN 9 Cb 0.07 -3.12 0.11 0.00 1.00 0.00 0.00 33.01 31.06 1b28 s GLN 9 CO 0.03 0.64 0.15 0.12 -2.12 0.00 0.00 175.29 174.10 1b28 s PHE 10 N -1.21 3.64 0.11 0.91 5.36 -1.26 -5.08 117.98 120.44 1b28 s PHE 10 Ca 0.27 -2.76 -0.24 0.00 -0.96 0.00 0.00 56.93 53.24 1b28 s PHE 10 Cb -0.15 -3.06 -0.07 0.00 -0.34 0.00 0.00 43.02 39.40 1b28 s PHE 10 CO 0.15 -0.94 0.74 0.54 -1.46 0.00 0.00 175.22 174.25 1b28 s ASN 11 N 1.19 7.28 0.41 6.13 2.20 -1.26 -5.06 114.94 125.83 1b28 s ASN 11 Ca 0.11 1.52 0.04 0.00 -0.94 0.00 0.00 52.86 53.59 1b28 s ASN 11 Cb -0.21 -2.47 -0.05 0.00 -2.00 0.00 0.00 41.25 36.53 1b28 s ASN 11 CO -0.06 0.17 0.04 -0.76 -2.94 0.00 0.00 177.10 173.55 1b28 s LEU 12 N -0.82 2.38 -0.34 3.54 1.43 -1.26 -5.12 118.68 118.48 1b28 s LEU 12 Ca 0.35 -1.50 -0.01 0.00 -1.03 0.00 0.00 54.13 51.94 1b28 s LEU 12 Cb -0.22 -0.57 0.13 0.00 0.03 0.00 0.00 46.19 45.56 1b28 s LEU 12 CO 0.24 -0.68 0.19 -0.13 0.23 0.00 0.00 176.35 176.19 1b28 s ARG 13 N -3.80 0.57 -0.03 1.70 0.52 -1.26 -5.12 118.95 111.53 1b28 s ARG 13 Ca 0.26 -1.21 0.08 0.00 -0.52 0.00 0.00 55.73 54.34 1b28 s ARG 13 Cb 0.06 -1.45 -0.02 0.00 0.52 0.00 0.00 34.95 34.06 1b28 s ARG 13 CO 0.13 -1.14 -0.25 -1.58 0.02 0.00 0.00 175.30 172.47 1b28 s TRP 14 N 1.26 2.37 0.27 -0.53 0.51 -1.26 -5.10 118.94 116.45 1b28 s TRP 14 Ca 0.15 -0.46 -0.28 0.00 -2.12 0.00 0.00 56.10 53.39 1b28 s TRP 14 Cb -0.21 -1.52 -0.15 0.00 -0.81 0.00 0.00 33.47 30.78 1b28 s TRP 14 CO -0.10 -0.05 0.92 -2.30 -0.51 0.00 0.00 176.95 174.92 1b28 n PRO 15 N 2.50 1.09 0.22 4.98 -0.02 -1.26 -4.67 135.00 137.83 1b28 n PRO 15 Ca -0.16 0.38 0.16 0.00 -2.02 0.00 0.00 63.50 61.86 1b28 n PRO 15 Cb 0.51 -1.69 0.83 0.00 -0.02 0.00 0.00 33.50 33.14 1b28 n PRO 15 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 1b28 h ARG 16 N 1.85 0.00 -0.32 -0.52 0.11 -1.99 -1.20 114.38 112.30 1b28 h ARG 16 Ca -0.37 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 59.64 1b28 h ARG 16 Cb 1.36 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.43 1b28 h ARG 16 CO 0.60 0.00 -0.06 0.93 0.10 0.00 0.00 179.97 181.54 1b28 h GLU 17 N 0.00 0.61 -0.32 0.08 5.08 -1.98 -0.31 114.58 117.75 1b28 h GLU 17 Ca 0.07 -0.23 -0.06 0.00 -1.00 0.00 0.00 59.36 58.14 1b28 h GLU 17 Cb 0.36 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1b28 h GLU 17 CO -0.00 0.78 -0.04 0.28 -1.00 0.00 0.00 179.01 179.03 1b28 h VAL 18 N 0.39 1.27 -0.30 3.13 2.07 -1.59 -2.13 116.25 119.09 1b28 h VAL 18 Ca 0.08 -1.04 -0.10 0.00 0.82 0.00 0.00 66.70 66.46 1b28 h VAL 18 Cb 0.55 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 1b28 h VAL 18 CO 0.03 0.34 -0.23 0.25 0.02 0.00 0.00 177.57 177.97 1b28 h LEU 19 N 0.37 0.59 -0.62 2.57 5.85 -1.40 -1.11 115.31 121.56 1b28 h LEU 19 Ca 0.09 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.60 1b28 h LEU 19 Cb 0.51 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.38 1b28 h LEU 19 CO 0.02 0.82 0.00 0.44 -0.34 0.00 0.00 178.44 179.38 1b28 h ASP 20 N 0.52 0.00 0.80 1.25 3.32 -1.02 0.27 116.42 121.56 1b28 h ASP 20 Ca 0.08 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.88 1b28 h ASP 20 Cb 0.68 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.20 1b28 h ASP 20 CO 0.05 0.00 -1.23 0.25 -1.72 0.00 0.00 179.24 176.59 1b28 h LEU 21 N 0.00 0.08 -1.14 1.55 6.46 -0.99 0.15 115.31 121.43 1b28 h LEU 21 Ca 0.00 -0.10 -0.06 0.00 -0.12 0.00 0.00 57.88 57.60 1b28 h LEU 21 Cb 0.68 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.57 1b28 h LEU 21 CO 0.00 1.08 -0.09 0.58 -0.62 0.00 0.00 178.44 179.39 1b28 h VAL 22 N 0.01 1.22 -0.45 1.05 2.07 -0.93 0.18 116.25 119.41 1b28 h VAL 22 Ca -0.11 -0.95 -0.13 0.00 0.82 0.00 0.00 66.70 66.34 1b28 h VAL 22 Cb 1.87 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 32.72 1b28 h VAL 22 CO 0.13 0.31 -0.24 0.03 0.02 0.00 0.00 177.57 177.82 1b28 h ARG 23 N 0.47 0.93 0.53 1.57 2.47 -0.91 -2.74 114.38 116.70 1b28 h ARG 23 Ca 0.09 -0.41 -0.03 0.00 -1.26 0.00 0.00 59.98 58.38 1b28 h ARG 23 Cb 0.44 -0.03 0.01 0.00 -1.65 0.00 0.00 29.97 28.74 1b28 h ARG 23 CO 0.02 1.07 -0.26 -0.22 0.56 0.00 0.00 179.97 181.14 1b28 h LYS 24 N 0.80 -0.69 -1.01 0.04 3.64 -0.17 -2.63 116.57 116.56 1b28 h LYS 24 Ca 0.10 0.05 0.16 0.00 -1.27 0.00 0.00 60.65 59.69 1b28 h LYS 24 Cb 0.81 0.16 -0.10 0.00 -0.41 0.00 0.00 32.23 32.69 1b28 h LYS 24 CO 0.07 -0.38 0.62 -0.24 -2.27 0.00 0.00 179.45 177.25 1b28 h VAL 25 N -1.02 0.80 -0.47 2.00 3.04 -0.76 -1.08 116.25 118.76 1b28 h VAL 25 Ca -0.07 -0.30 -0.05 0.00 -1.01 0.00 0.00 66.70 65.27 1b28 h VAL 25 Cb 0.62 -0.14 -0.02 0.00 -2.01 0.00 0.00 31.29 29.74 1b28 h VAL 25 CO 0.12 0.16 0.07 0.00 -1.01 0.00 0.00 177.57 176.91 1b28 h ALA 26 N 1.60 1.24 -0.36 3.17 0.00 -1.49 -2.66 119.26 120.76 1b28 h ALA 26 Ca 0.54 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 55.10 1b28 h ALA 26 Cb 0.72 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1b28 h ALA 26 CO -0.33 0.52 -0.31 0.93 0.00 0.00 0.00 179.25 180.05 1b28 h GLU 27 N 0.70 0.85 -0.03 0.00 5.08 -0.84 0.03 114.58 120.37 1b28 h GLU 27 Ca 0.15 -0.43 0.01 0.00 -1.00 0.00 0.00 59.36 58.09 1b28 h GLU 27 Cb 0.33 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1b28 h GLU 27 CO 0.01 1.07 -0.03 0.93 -1.00 0.00 0.00 179.01 179.99 1b28 h GLU 28 N 0.65 -0.03 0.00 2.33 5.08 -1.16 -1.85 114.58 119.60 1b28 h GLU 28 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1b28 h GLU 28 Cb 0.89 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.15 1b28 h GLU 28 CO 0.08 -0.02 0.00 0.09 -1.00 0.00 0.00 179.01 178.16 1b28 n ASN 29 N -5.13 0.46 -2.96 1.42 3.02 -1.02 -4.97 115.26 106.07 1b28 n ASN 29 Ca -0.06 0.55 -0.10 0.00 -0.03 0.00 0.00 54.58 54.94 1b28 n ASN 29 Cb 0.07 -0.67 0.05 0.00 -0.61 0.00 0.00 39.78 38.62 1b28 n ASN 29 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1b28 n GLY 30 N 1.31 -0.93 3.05 7.41 0.00 -0.21 -5.04 105.19 110.77 1b28 n GLY 30 Ca 0.06 0.44 -0.13 0.00 0.00 0.00 0.00 46.02 46.40 1b28 n GLY 30 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1b28 s MET 31 N -3.90 0.20 0.44 1.61 0.00 -0.18 -5.03 119.30 112.44 1b28 s MET 31 Ca 0.30 0.36 -0.25 0.00 0.00 0.00 0.00 55.69 56.10 1b28 s MET 31 Cb -0.04 -0.00 -0.08 0.00 0.00 0.00 0.00 34.83 34.70 1b28 s MET 31 CO 0.64 -0.09 1.38 -1.54 0.00 0.00 0.00 175.02 175.41 1b28 s SER 32 N 0.61 6.02 0.22 1.11 1.04 -1.26 -4.66 113.70 116.78 1b28 s SER 32 Ca -0.04 2.82 -0.04 0.00 0.48 0.00 0.00 55.95 59.17 1b28 s SER 32 Cb -0.06 -2.65 0.19 0.00 0.10 0.00 0.00 66.02 63.61 1b28 s SER 32 CO -0.03 -1.06 1.62 -0.37 0.98 0.00 0.00 173.24 174.38 1b28 h VAL 33 N 2.34 1.27 0.03 5.02 -1.51 -1.94 -1.61 116.25 119.86 1b28 h VAL 33 Ca -0.50 -1.36 0.01 0.00 -1.23 0.00 0.00 66.70 63.61 1b28 h VAL 33 Cb 1.26 1.26 -0.01 0.00 -2.13 0.00 0.00 31.29 31.67 1b28 h VAL 33 CO 0.62 0.45 -0.06 0.78 -1.23 0.00 0.00 177.57 178.12 1b28 h ASN 34 N 0.64 -0.17 1.03 4.19 2.35 -2.01 -2.26 115.58 119.36 1b28 h ASN 34 Ca 0.09 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.84 1b28 h ASN 34 Cb 0.76 0.07 -0.00 0.00 0.05 0.00 0.00 38.32 39.19 1b28 h ASN 34 CO 0.06 -0.10 -0.07 0.28 -1.65 0.00 0.00 177.43 175.95 1b28 h SER 35 N -0.13 0.00 0.40 5.81 0.02 -1.96 -2.51 113.55 115.19 1b28 h SER 35 Ca 0.01 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 1b28 h SER 35 Cb 0.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.68 1b28 h SER 35 CO -0.04 0.07 -0.19 0.22 -1.14 0.00 0.00 176.83 175.75 1b28 h TYR 36 N 0.00 -0.50 0.00 3.45 3.20 -0.70 -0.92 116.97 121.50 1b28 h TYR 36 Ca -0.00 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.80 1b28 h TYR 36 Cb 0.60 0.16 -0.01 0.00 1.54 0.00 0.00 36.73 39.03 1b28 h TYR 36 CO 0.00 -0.23 -0.28 0.82 -1.64 0.00 0.00 178.16 176.83 1b28 h ILE 37 N -1.08 0.95 -0.87 1.81 5.03 -1.61 -0.19 117.51 121.56 1b28 h ILE 37 Ca -0.05 -1.07 0.07 0.00 -0.12 0.00 0.00 64.86 63.69 1b28 h ILE 37 Cb 0.49 1.62 -0.06 0.00 -3.03 0.00 0.00 36.82 35.85 1b28 h ILE 37 CO 0.09 0.28 0.57 0.22 -0.68 0.00 0.00 178.15 178.62 1b28 h TYR 38 N 0.00 0.98 0.00 1.37 3.20 -1.44 -1.31 116.97 119.77 1b28 h TYR 38 Ca -0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.89 1b28 h TYR 38 Cb 0.60 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 38.55 1b28 h TYR 38 CO 0.00 0.50 0.00 1.96 -1.64 0.00 0.00 178.16 178.98 1b28 h GLN 39 N 0.95 0.00 0.08 1.82 1.08 0.40 -2.45 115.11 117.00 1b28 h GLN 39 Ca 0.38 0.00 -0.26 0.00 -1.45 0.00 0.00 58.65 57.31 1b28 h GLN 39 Cb 0.24 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.66 1b28 h GLN 39 CO -0.14 0.00 -1.29 -0.07 -0.95 0.00 0.00 178.83 176.38 1b28 h LEU 40 N 0.00 0.25 -1.05 1.46 3.38 -0.39 -0.11 115.31 118.85 1b28 h LEU 40 Ca 0.00 -0.30 -0.07 0.00 0.09 0.00 0.00 57.88 57.60 1b28 h LEU 40 Cb 0.77 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 1b28 h LEU 40 CO 0.00 1.24 -0.32 -0.37 0.09 0.00 0.00 178.44 179.08 1b28 h VAL 41 N 0.04 0.79 0.04 1.22 -1.51 -1.39 -1.59 116.25 113.85 1b28 h VAL 41 Ca -0.14 -1.34 -0.23 0.00 -1.23 0.00 0.00 66.70 63.76 1b28 h VAL 41 Cb 1.93 1.84 -0.01 0.00 -2.13 0.00 0.00 31.29 32.92 1b28 h VAL 41 CO 0.16 0.31 -1.01 0.24 -1.23 0.00 0.00 177.57 176.04 1b28 h MET 42 N 0.00 0.23 0.00 5.19 2.86 -1.37 0.21 114.93 122.05 1b28 h MET 42 Ca -0.00 -0.30 -0.10 0.00 -2.06 0.00 0.00 59.70 57.24 1b28 h MET 42 Cb 0.81 0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.56 1b28 h MET 42 CO 0.04 1.06 -0.46 0.93 1.06 0.00 0.00 176.91 179.55 1b28 h GLU 43 N 0.10 0.00 0.02 1.72 5.08 -0.93 -2.96 114.58 117.61 1b28 h GLU 43 Ca -0.07 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.04 1b28 h GLU 43 Cb 1.69 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.95 1b28 h GLU 43 CO 0.16 0.46 -1.02 0.77 -1.00 0.00 0.00 179.01 178.38 1b28 h SER 44 N 0.00 0.66 -0.99 1.42 0.02 -1.23 -3.36 113.55 110.06 1b28 h SER 44 Ca -0.00 -0.55 -0.69 0.00 -0.84 0.00 0.00 61.79 59.71 1b28 h SER 44 Cb 0.88 -0.20 -0.09 0.00 0.14 0.00 0.00 62.40 63.13 1b28 h SER 44 CO 0.06 1.35 2.16 0.49 -1.14 0.00 0.00 176.83 179.75 1b28 n PHE 45 N -3.76 4.59 0.00 3.45 3.72 0.74 -3.55 117.46 122.65 1b28 n PHE 45 Ca -0.09 -2.93 0.00 0.00 -0.05 0.00 0.00 57.45 54.38 1b28 n PHE 45 Cb 0.87 -2.55 0.00 0.00 -0.94 0.00 0.00 39.48 36.86 1b28 n PHE 45 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1b28 n LYS 46 N 7.69 0.00 -0.54 -1.08 5.02 -1.26 -4.58 118.16 123.42 1b28 n LYS 46 Ca 0.47 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.71 1b28 n LYS 46 Cb 0.45 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.47 1b28 n LYS 46 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1b28 n LYS 47 N 0.00 1.26 0.00 1.97 0.00 -1.23 -3.26 118.16 116.89 1b28 n LYS 47 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 58.31 57.78 1b28 n LYS 47 Cb 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 35.03 33.82 1b28 n LYS 47 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1b28 n GLU 48 N 0.92 0.00 -1.34 1.64 1.02 -1.26 -5.05 120.64 116.56 1b28 n GLU 48 Ca 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 1b28 n GLU 48 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.98 1b28 n GLU 48 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1b28 n GLY 49 N -0.13 -0.14 0.10 0.62 0.00 -1.20 -5.06 105.19 99.38 1b28 n GLY 49 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1b28 n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b28 n ARG 50 N -0.91 0.00 -0.02 1.61 1.74 -1.26 -4.76 116.66 113.05 1b28 n ARG 50 Ca 0.00 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.95 1b28 n ARG 50 Cb 0.45 -0.44 -0.10 0.00 -1.02 0.00 0.00 32.46 31.35 1b28 n ARG 50 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 1b28 h ILE 51 N 0.00 1.45 0.00 0.55 -0.00 -1.98 -3.47 117.51 114.07 1b28 h ILE 51 Ca 0.00 -1.40 0.00 0.00 -0.00 0.00 0.00 64.86 63.46 1b28 h ILE 51 Cb 0.00 2.40 0.00 0.00 -0.00 0.00 0.00 36.82 39.22 1b28 h ILE 51 CO 0.00 0.36 0.00 0.61 -0.00 0.00 0.00 178.15 179.12 1b28 n GLY 52 N 0.54 -1.43 0.00 8.18 0.00 -1.26 -5.19 105.19 106.03 1b28 n GLY 52 Ca -0.09 0.89 0.00 0.00 0.00 0.00 0.00 46.02 46.82 1b28 n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32