#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 -0.43 2.12 4.81 -1.26 -5.06 118.16 118.34 1b28 n LYS 2 Ca 0.00 0.39 0.00 0.00 -0.87 0.00 0.00 58.31 57.83 1b28 n LYS 2 Cb 0.00 -0.31 0.00 0.00 0.02 0.00 0.00 35.03 34.74 1b28 n LYS 2 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1b28 n GLY 3 N 0.63 -0.82 1.79 3.14 0.00 -1.26 -5.09 105.19 103.59 1b28 n GLY 3 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 0.38 0.00 0.11 1.61 2.81 -1.26 -5.05 117.12 115.71 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 -0.10 0.00 0.00 -0.71 0.00 0.00 33.22 32.41 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 -2.85 -0.96 -3.03 7.83 7.64 -1.26 -4.97 113.62 116.02 1b28 n SER 5 Ca 0.00 0.40 -0.33 0.00 1.01 0.00 0.00 58.87 59.94 1b28 n SER 5 Cb 0.08 1.05 -0.05 0.00 -1.01 0.00 0.00 64.21 64.28 1b28 n SER 5 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1b28 n LYS 6 N -3.10 3.57 0.13 1.43 5.02 -1.26 -3.94 118.16 120.00 1b28 n LYS 6 Ca 0.00 -2.53 0.00 0.00 -2.02 0.00 0.00 58.31 53.76 1b28 n LYS 6 Cb 0.00 -2.50 0.00 0.00 -0.02 0.00 0.00 35.03 32.51 1b28 n LYS 6 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1b28 n MET 7 N 2.22 0.00 -1.63 1.97 2.81 -1.26 -5.01 117.12 116.22 1b28 n MET 7 Ca 0.62 0.00 -0.39 0.00 -1.81 0.00 0.00 57.70 56.12 1b28 n MET 7 Cb 0.40 -0.06 -0.03 0.00 -0.71 0.00 0.00 33.22 32.81 1b28 n MET 7 CO 0.00 0.00 0.00 -2.14 1.51 0.00 0.00 175.97 175.34 1b28 s PRO 8 N -1.95 2.54 0.04 0.03 0.02 -1.25 -4.95 135.00 129.48 1b28 s PRO 8 Ca 0.00 1.57 -0.10 0.00 0.02 0.00 0.00 61.00 62.49 1b28 s PRO 8 Cb 0.00 -4.48 -0.06 0.00 0.02 0.00 0.00 34.50 29.98 1b28 s PRO 8 CO 0.00 -2.78 0.37 -0.65 -0.33 0.00 0.00 177.00 173.61 1b28 s GLN 9 N 7.42 3.75 -0.44 5.54 -0.21 -1.26 -5.05 119.66 129.41 1b28 s GLN 9 Ca 0.96 0.18 0.00 0.00 0.02 0.00 0.00 55.36 56.52 1b28 s GLN 9 Cb -0.22 -3.07 0.12 0.00 1.00 0.00 0.00 33.01 30.84 1b28 s GLN 9 CO 0.29 0.61 0.20 0.12 -2.12 0.00 0.00 175.29 174.40 1b28 s PHE 10 N -1.30 3.56 -0.18 0.91 5.36 -1.26 -5.08 117.98 119.99 1b28 s PHE 10 Ca 0.29 -2.77 -0.10 0.00 -0.96 0.00 0.00 56.93 53.39 1b28 s PHE 10 Cb -0.14 -3.07 -0.05 0.00 -0.34 0.00 0.00 43.02 39.42 1b28 s PHE 10 CO 0.16 -0.91 0.16 0.54 -1.46 0.00 0.00 175.22 173.72 1b28 s ASN 11 N 1.03 6.29 0.15 6.13 2.20 -1.26 -5.08 114.94 124.39 1b28 s ASN 11 Ca 0.12 0.33 0.03 0.00 -0.94 0.00 0.00 52.86 52.40 1b28 s ASN 11 Cb -0.22 -2.10 -0.01 0.00 -2.00 0.00 0.00 41.25 36.92 1b28 s ASN 11 CO -0.05 0.21 0.09 0.00 -2.94 0.00 0.00 177.10 174.42 1b28 n LEU 12 N 3.23 0.00 -3.71 3.54 -0.00 -1.26 -5.16 117.00 113.64 1b28 n LEU 12 Ca -0.16 -1.28 -0.22 0.00 -0.00 0.00 0.00 56.01 54.34 1b28 n LEU 12 Cb 0.52 0.58 -0.18 0.00 -0.00 0.00 0.00 43.42 44.35 1b28 n LEU 12 CO 0.36 -0.21 -0.36 -0.13 -0.00 0.00 0.00 177.39 177.06 1b28 s ARG 13 N -2.58 0.29 0.06 1.47 0.52 -1.26 -5.13 118.95 112.32 1b28 s ARG 13 Ca 0.13 0.16 0.07 0.00 -0.52 0.00 0.00 55.73 55.58 1b28 s ARG 13 Cb 0.01 -0.95 -0.03 0.00 0.52 0.00 0.00 34.95 34.50 1b28 s ARG 13 CO 0.09 -0.37 -0.20 -1.58 0.02 0.00 0.00 175.30 173.26 1b28 s TRP 14 N 2.06 1.74 0.36 -0.53 0.51 -1.26 -5.12 118.94 116.70 1b28 s TRP 14 Ca 0.04 -0.39 -0.25 0.00 -2.12 0.00 0.00 56.10 53.39 1b28 s TRP 14 Cb -0.13 -1.01 -0.13 0.00 -0.81 0.00 0.00 33.47 31.39 1b28 s TRP 14 CO -0.05 0.12 0.71 -2.30 -0.51 0.00 0.00 176.95 174.92 1b28 n PRO 15 N 1.60 0.77 -0.20 4.98 -0.02 -1.26 -4.73 135.00 136.14 1b28 n PRO 15 Ca -0.18 0.28 0.04 0.00 -2.02 0.00 0.00 63.50 61.62 1b28 n PRO 15 Cb 0.53 -1.58 0.31 0.00 -0.02 0.00 0.00 33.50 32.74 1b28 n PRO 15 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1b28 h ARG 16 N 1.19 0.84 -0.52 -0.52 2.43 -2.00 -1.11 114.38 114.69 1b28 h ARG 16 Ca -0.39 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 58.68 1b28 h ARG 16 Cb 1.38 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 30.72 1b28 h ARG 16 CO 0.55 0.56 0.13 0.93 -1.51 0.00 0.00 179.97 180.63 1b28 h GLU 17 N 0.87 0.79 -0.49 0.20 5.08 -1.99 -2.11 114.58 116.92 1b28 h GLU 17 Ca 0.31 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.49 1b28 h GLU 17 Cb 0.12 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1b28 h GLU 17 CO -0.09 0.71 0.21 0.28 -1.00 0.00 0.00 179.01 179.11 1b28 h VAL 18 N 0.76 1.21 -0.13 3.13 2.07 -1.54 -2.47 116.25 119.27 1b28 h VAL 18 Ca 0.17 -0.62 0.02 0.00 0.82 0.00 0.00 66.70 67.09 1b28 h VAL 18 Cb 0.27 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1b28 h VAL 18 CO -0.00 0.24 0.01 -0.07 0.02 0.00 0.00 177.57 177.76 1b28 h LEU 19 N 0.65 -0.03 -2.19 2.57 3.38 -1.34 -2.62 115.31 115.74 1b28 h LEU 19 Ca 0.17 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.22 1b28 h LEU 19 Cb 0.17 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1b28 h LEU 19 CO -0.02 0.01 0.22 0.44 0.09 0.00 0.00 178.44 179.18 1b28 h ASP 20 N 0.06 0.00 0.19 -0.43 3.32 -1.13 0.45 116.42 118.88 1b28 h ASP 20 Ca 0.06 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.81 1b28 h ASP 20 Cb 0.06 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.64 1b28 h ASP 20 CO -0.09 0.00 -1.26 0.25 -1.72 0.00 0.00 179.24 176.42 1b28 h LEU 21 N 0.00 0.83 -1.13 1.55 6.46 -1.17 0.11 115.31 121.96 1b28 h LEU 21 Ca 0.10 -0.78 -0.00 0.00 -0.12 0.00 0.00 57.88 57.08 1b28 h LEU 21 Cb 0.55 -0.26 -0.04 0.00 -0.73 0.00 0.00 40.66 40.18 1b28 h LEU 21 CO -0.00 1.58 0.49 0.58 -0.62 0.00 0.00 178.44 180.47 1b28 h VAL 22 N 0.25 1.22 -0.02 1.05 2.07 -0.40 -0.10 116.25 120.32 1b28 h VAL 22 Ca -0.19 -0.48 -0.13 0.00 0.82 0.00 0.00 66.70 66.72 1b28 h VAL 22 Cb 1.93 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 1b28 h VAL 22 CO 0.24 0.23 -0.61 0.03 0.02 0.00 0.00 177.57 177.48 1b28 h ARG 23 N 1.11 0.07 0.28 1.57 3.08 -0.25 -1.13 114.38 119.12 1b28 h ARG 23 Ca 0.29 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.28 1b28 h ARG 23 Cb -0.06 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.00 1b28 h ARG 23 CO -0.06 0.65 -0.13 -0.22 -1.07 0.00 0.00 179.97 179.14 1b28 h LYS 24 N 0.05 -0.36 -0.50 0.04 3.64 -0.16 -2.61 116.57 116.68 1b28 h LYS 24 Ca -0.01 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.41 1b28 h LYS 24 Cb 1.08 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.96 1b28 h LYS 24 CO 0.08 -0.05 0.33 0.28 -2.27 0.00 0.00 179.45 177.82 1b28 h VAL 25 N -0.70 1.12 -0.22 2.00 2.07 -1.05 -1.95 116.25 117.52 1b28 h VAL 25 Ca -0.04 -0.23 -0.05 0.00 0.82 0.00 0.00 66.70 67.21 1b28 h VAL 25 Cb 0.48 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1b28 h VAL 25 CO 0.06 0.12 -0.08 0.00 0.02 0.00 0.00 177.57 177.70 1b28 h ALA 26 N 1.69 1.46 -0.19 1.67 0.00 -1.17 -2.31 119.26 120.41 1b28 h ALA 26 Ca 0.18 -0.20 -0.18 0.00 0.00 0.00 0.00 54.91 54.71 1b28 h ALA 26 Cb -0.06 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.63 1b28 h ALA 26 CO -0.04 0.38 -0.60 0.93 0.00 0.00 0.00 179.25 179.92 1b28 h GLU 27 N 0.33 0.74 -0.11 0.00 4.39 -0.97 -0.81 114.58 118.15 1b28 h GLU 27 Ca 0.07 -0.54 -0.00 0.00 0.34 0.00 0.00 59.36 59.23 1b28 h GLU 27 Cb 0.35 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 1b28 h GLU 27 CO 0.02 1.16 0.07 0.93 -1.16 0.00 0.00 179.01 180.03 1b28 h GLU 28 N 0.46 0.15 0.00 2.33 5.08 -1.18 -1.72 114.58 119.71 1b28 h GLU 28 Ca -0.02 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1b28 h GLU 28 Cb 1.22 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1b28 h GLU 28 CO 0.13 0.14 0.00 0.09 -1.00 0.00 0.00 179.01 178.37 1b28 n ASN 29 N -4.98 0.60 -2.96 1.42 3.02 -0.89 -4.95 115.26 106.51 1b28 n ASN 29 Ca -0.05 0.59 -0.13 0.00 -0.03 0.00 0.00 54.58 54.97 1b28 n ASN 29 Cb 0.05 -0.74 0.06 0.00 -0.61 0.00 0.00 39.78 38.54 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 0.72 -0.71 3.11 7.41 0.00 -0.65 -5.04 105.19 110.04 1b28 n GLY 30 Ca 0.04 0.37 -0.12 0.00 0.00 0.00 0.00 46.02 46.31 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 -4.32 0.44 0.42 1.61 0.00 -0.39 -5.04 119.30 112.03 1b28 s MET 31 Ca 0.32 -0.23 -0.25 0.00 0.00 0.00 0.00 55.69 55.53 1b28 s MET 31 Cb -0.04 0.19 -0.08 0.00 0.00 0.00 0.00 34.83 34.90 1b28 s MET 31 CO 0.61 -0.10 1.25 0.45 0.00 0.00 0.00 175.02 177.23 1b28 s SER 32 N -1.03 6.28 0.29 1.11 0.15 -1.26 -4.62 113.70 114.62 1b28 s SER 32 Ca -0.11 2.53 -0.02 0.00 0.70 0.00 0.00 55.95 59.06 1b28 s SER 32 Cb -0.06 -2.63 0.43 0.00 -1.71 0.00 0.00 66.02 62.06 1b28 s SER 32 CO 0.02 -0.86 1.91 -0.37 1.20 0.00 0.00 173.24 175.14 1b28 h VAL 33 N 2.29 1.21 0.08 4.45 -1.51 -1.95 -1.30 116.25 119.52 1b28 h VAL 33 Ca -0.49 -0.54 0.02 0.00 -1.23 0.00 0.00 66.70 64.45 1b28 h VAL 33 Cb 1.25 0.27 -0.03 0.00 -2.13 0.00 0.00 31.29 30.64 1b28 h VAL 33 CO 0.62 0.24 -0.23 0.78 -1.23 0.00 0.00 177.57 177.75 1b28 h ASN 34 N 0.99 -0.65 1.03 4.19 2.35 -2.00 -1.79 115.58 119.69 1b28 h ASN 34 Ca 0.25 0.08 -0.03 0.00 -0.55 0.00 0.00 56.30 56.05 1b28 h ASN 34 Cb 0.04 0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.66 1b28 h ASN 34 CO -0.04 -0.31 -0.12 0.28 -1.65 0.00 0.00 177.43 175.59 1b28 h SER 35 N -0.40 0.00 0.32 5.81 0.02 -1.94 -2.53 113.55 114.83 1b28 h SER 35 Ca 0.04 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.97 1b28 h SER 35 Cb 0.44 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.98 1b28 h SER 35 CO -0.15 0.12 -0.15 0.22 -1.14 0.00 0.00 176.83 175.72 1b28 h TYR 36 N 0.00 -0.40 0.00 3.45 3.20 -0.42 -1.15 116.97 121.65 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 0.67 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.06 1b28 h TYR 36 CO 0.00 -0.09 -0.27 0.82 -1.64 0.00 0.00 178.16 176.98 1b28 h ILE 37 N -0.99 1.03 -0.92 1.81 5.03 -1.49 -0.09 117.51 121.89 1b28 h ILE 37 Ca -0.04 -0.97 0.07 0.00 -0.12 0.00 0.00 64.86 63.80 1b28 h ILE 37 Cb 0.49 1.55 -0.07 0.00 -3.03 0.00 0.00 36.82 35.76 1b28 h ILE 37 CO 0.07 0.26 0.57 0.22 -0.68 0.00 0.00 178.15 178.60 1b28 h TYR 38 N 0.00 1.06 0.00 1.37 3.20 -1.44 -0.67 116.97 120.49 1b28 h TYR 38 Ca -0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1b28 h TYR 38 Cb 0.52 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 38.45 1b28 h TYR 38 CO 0.00 0.52 0.00 1.96 -1.64 0.00 0.00 178.16 179.00 1b28 h GLN 39 N 1.02 0.00 0.12 1.82 1.08 0.26 -2.28 115.11 117.13 1b28 h GLN 39 Ca 0.41 0.00 -0.32 0.00 -1.45 0.00 0.00 58.65 57.29 1b28 h GLN 39 Cb 0.22 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.64 1b28 h GLN 39 CO -0.19 0.00 -1.61 -0.07 -0.95 0.00 0.00 178.83 176.01 1b28 h LEU 40 N 0.00 0.39 0.00 1.46 3.38 -0.15 0.93 115.31 121.31 1b28 h LEU 40 Ca 0.00 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.39 1b28 h LEU 40 Cb 0.61 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1b28 h LEU 40 CO 0.00 1.49 0.00 1.33 0.09 0.00 0.00 178.44 181.35 1b28 n VAL 41 N -3.44 0.49 -0.03 1.22 0.24 -0.37 -1.50 118.33 114.95 1b28 n VAL 41 Ca -0.19 0.12 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 1b28 n VAL 41 Cb 1.05 -0.78 -0.09 0.00 -1.47 0.00 0.00 33.84 32.55 1b28 n VAL 41 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 1b28 n MET 42 N -1.40 1.29 0.11 7.34 2.81 -0.86 -2.40 117.12 124.02 1b28 n MET 42 Ca 0.07 -0.06 0.12 0.00 -1.81 0.00 0.00 57.70 56.03 1b28 n MET 42 Cb 0.20 -1.29 0.26 0.00 -0.71 0.00 0.00 33.22 31.69 1b28 n MET 42 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1b28 h GLU 43 N 0.00 0.00 0.00 0.03 5.08 -0.80 -2.87 114.58 116.02 1b28 h GLU 43 Ca -0.16 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 57.94 1b28 h GLU 43 Cb 1.14 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.35 1b28 h GLU 43 CO 0.01 0.00 -1.86 0.45 -1.00 0.00 0.00 179.01 176.61 1b28 n SER 44 N -2.37 1.18 -3.87 1.42 2.88 -0.56 -4.70 113.62 107.60 1b28 n SER 44 Ca 0.04 0.20 -0.40 0.00 -1.33 0.00 0.00 58.87 57.38 1b28 n SER 44 Cb 0.46 -0.49 -0.00 0.00 -0.75 0.00 0.00 64.21 63.42 1b28 n SER 44 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 1b28 n PHE 45 N -3.76 2.51 0.02 0.66 7.35 -1.01 -4.54 117.46 118.70 1b28 n PHE 45 Ca -0.31 -2.83 -0.21 0.00 -0.76 0.00 0.00 57.45 53.33 1b28 n PHE 45 Cb 0.71 -1.13 -0.14 0.00 0.35 0.00 0.00 39.48 39.27 1b28 n PHE 45 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 1b28 h LYS 46 N 5.10 0.27 0.00 -4.13 3.11 -1.62 -3.34 116.57 115.96 1b28 h LYS 46 Ca 0.22 -0.46 0.00 0.00 -2.81 0.00 0.00 60.65 57.60 1b28 h LYS 46 Cb 0.59 0.17 0.00 0.00 -1.00 0.00 0.00 32.23 32.00 1b28 h LYS 46 CO 1.24 1.22 0.00 1.63 -2.81 0.00 0.00 179.45 180.73 1b28 n LYS 47 N -3.92 0.00 -0.06 1.90 4.76 -1.26 -5.00 118.16 114.58 1b28 n LYS 47 Ca -0.23 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.11 1b28 n LYS 47 Cb 0.91 0.00 -0.15 0.00 -1.84 0.00 0.00 35.03 33.95 1b28 n LYS 47 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1b28 n GLU 48 N -0.05 0.66 0.00 1.97 1.02 -1.26 -5.00 120.64 117.97 1b28 n GLU 48 Ca 0.00 0.17 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 1b28 n GLU 48 Cb 0.00 -1.67 0.00 0.00 -0.02 0.00 0.00 31.44 29.75 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 1.65 0.13 0.00 0.62 0.00 -1.26 -5.03 105.19 101.31 1b28 n GLY 49 Ca -0.24 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 0.00 0.00 -0.23 1.61 3.00 -1.26 -4.67 116.66 115.11 1b28 n ARG 50 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.85 57.83 1b28 n ARG 50 Cb 0.00 0.00 0.21 0.00 0.00 0.00 0.00 32.46 32.67 1b28 n ARG 50 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.63 178.60 1b28 h ILE 51 N 0.00 1.21 0.00 0.55 6.09 -1.99 -3.38 117.51 120.00 1b28 h ILE 51 Ca 0.00 -0.47 0.00 0.00 -1.37 0.00 0.00 64.86 63.02 1b28 h ILE 51 Cb 0.00 0.15 0.00 0.00 0.47 0.00 0.00 36.82 37.44 1b28 h ILE 51 CO 0.00 0.22 0.00 0.61 -3.07 0.00 0.00 178.15 175.91 1b28 n GLY 52 N -1.29 1.52 0.00 8.18 0.00 -1.26 -5.20 105.19 107.13 1b28 n GLY 52 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1b28 n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32