#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 -1.49 2.12 4.81 -1.26 -5.03 118.16 117.31 1b28 n LYS 2 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1b28 n LYS 2 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 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 0.00 0.87 2.03 3.14 0.00 -1.26 -4.97 105.19 105.00 1b28 n GLY 3 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.78 1.61 2.81 -1.26 -4.95 117.12 112.17 1b28 n MET 4 Ca 0.00 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.88 1b28 n MET 4 Cb 0.31 0.00 0.07 0.00 -0.71 0.00 0.00 33.22 32.90 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 -3.05 0.59 0.09 7.83 7.64 -1.26 -4.94 113.62 120.51 1b28 n SER 5 Ca 0.00 -2.10 -0.07 0.00 1.01 0.00 0.00 58.87 57.70 1b28 n SER 5 Cb 0.00 -0.10 -0.01 0.00 -1.01 0.00 0.00 64.21 63.08 1b28 n SER 5 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1b28 h LYS 6 N 2.12 0.12 0.00 1.43 3.64 -1.95 -3.44 116.57 118.49 1b28 h LYS 6 Ca -0.24 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 1b28 h LYS 6 Cb 1.28 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 1b28 h LYS 6 CO 0.07 0.93 0.00 -1.33 -2.27 0.00 0.00 179.45 176.85 1b28 n MET 7 N -3.60 0.00 -1.59 1.90 2.81 -1.26 -5.06 117.12 110.32 1b28 n MET 7 Ca -0.03 0.00 -0.34 0.00 -1.81 0.00 0.00 57.70 55.53 1b28 n MET 7 Cb 0.82 -0.33 -0.03 0.00 -0.71 0.00 0.00 33.22 32.96 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 -1.25 2.07 0.20 0.03 0.02 -1.26 -4.94 135.00 129.87 1b28 s PRO 8 Ca 0.00 1.25 0.07 0.00 0.02 0.00 0.00 61.00 62.34 1b28 s PRO 8 Cb 0.00 -4.60 -0.04 0.00 0.02 0.00 0.00 34.50 29.88 1b28 s PRO 8 CO 0.00 -3.38 0.10 -1.14 -0.33 0.00 0.00 177.00 172.25 1b28 s GLN 9 N 8.26 2.69 -0.12 5.54 0.74 -1.26 -5.00 119.66 130.52 1b28 s GLN 9 Ca 0.95 -1.04 -0.05 0.00 0.05 0.00 0.00 55.36 55.27 1b28 s GLN 9 Cb -0.16 -2.49 0.06 0.00 1.10 0.00 0.00 33.01 31.52 1b28 s GLN 9 CO 0.24 0.44 0.24 0.12 -0.55 0.00 0.00 175.29 175.78 1b28 s PHE 10 N -1.90 -0.37 -0.13 1.67 5.36 -1.26 -5.13 117.98 116.21 1b28 s PHE 10 Ca 0.30 0.90 -0.18 0.00 -0.96 0.00 0.00 56.93 56.99 1b28 s PHE 10 Cb -0.09 -0.07 -0.04 0.00 -0.34 0.00 0.00 43.02 42.49 1b28 s PHE 10 CO 0.22 -0.33 0.50 0.54 -1.46 0.00 0.00 175.22 174.69 1b28 s ASN 11 N 2.29 6.68 0.34 6.13 2.20 -1.26 -5.08 114.94 126.24 1b28 s ASN 11 Ca 0.00 0.81 0.07 0.00 -0.94 0.00 0.00 52.86 52.80 1b28 s ASN 11 Cb -0.12 -2.29 -0.02 0.00 -2.00 0.00 0.00 41.25 36.82 1b28 s ASN 11 CO -0.08 -0.04 0.41 -0.76 -2.94 0.00 0.00 177.10 173.69 1b28 s LEU 12 N 0.83 3.81 -0.36 3.54 1.43 -1.26 -5.10 118.68 121.57 1b28 s LEU 12 Ca 0.26 -0.32 -0.00 0.00 -1.03 0.00 0.00 54.13 53.04 1b28 s LEU 12 Cb -0.15 -2.53 0.12 0.00 0.03 0.00 0.00 46.19 43.65 1b28 s LEU 12 CO 0.11 -0.42 0.17 -0.13 0.23 0.00 0.00 176.35 176.30 1b28 s ARG 13 N -4.11 0.79 0.10 1.70 0.52 -1.26 -5.11 118.95 111.57 1b28 s ARG 13 Ca 0.44 -1.35 0.09 0.00 -0.52 0.00 0.00 55.73 54.39 1b28 s ARG 13 Cb -0.08 -1.84 -0.03 0.00 0.52 0.00 0.00 34.95 33.51 1b28 s ARG 13 CO 0.29 -1.09 -0.22 -1.58 0.02 0.00 0.00 175.30 172.72 1b28 s TRP 14 N 1.17 1.89 0.45 -0.53 0.51 -1.26 -5.12 118.94 116.06 1b28 s TRP 14 Ca 0.14 -0.41 -0.24 0.00 -2.12 0.00 0.00 56.10 53.48 1b28 s TRP 14 Cb -0.21 -1.05 -0.09 0.00 -0.81 0.00 0.00 33.47 31.32 1b28 s TRP 14 CO -0.13 0.21 1.10 -2.30 -0.51 0.00 0.00 176.95 175.33 1b28 n PRO 15 N 1.16 1.48 0.20 4.98 -0.02 -1.26 -4.75 135.00 136.79 1b28 n PRO 15 Ca -0.19 0.53 0.12 0.00 -2.02 0.00 0.00 63.50 61.94 1b28 n PRO 15 Cb 0.53 -2.19 0.68 0.00 -0.02 0.00 0.00 33.50 32.50 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 1.55 0.00 -0.43 -0.52 0.11 -1.99 -1.40 114.38 111.69 1b28 h ARG 16 Ca -0.46 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 59.49 1b28 h ARG 16 Cb 1.33 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.40 1b28 h ARG 16 CO 0.57 0.00 -0.23 0.93 0.10 0.00 0.00 179.97 181.34 1b28 h GLU 17 N 0.00 0.92 -0.17 0.08 5.08 -1.99 -1.12 114.58 117.38 1b28 h GLU 17 Ca 0.06 -0.41 -0.03 0.00 -1.00 0.00 0.00 59.36 57.99 1b28 h GLU 17 Cb 0.26 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1b28 h GLU 17 CO -0.00 1.06 0.00 0.28 -1.00 0.00 0.00 179.01 179.36 1b28 h VAL 18 N 0.74 1.25 -0.64 3.13 2.07 -1.65 -2.47 116.25 118.69 1b28 h VAL 18 Ca 0.09 -0.83 0.01 0.00 0.82 0.00 0.00 66.70 66.79 1b28 h VAL 18 Cb 0.80 1.47 -0.03 0.00 -1.52 0.00 0.00 31.29 32.00 1b28 h VAL 18 CO 0.07 0.25 0.42 0.25 0.02 0.00 0.00 177.57 178.57 1b28 h LEU 19 N 0.05 0.72 -1.33 2.57 5.85 -1.33 -1.21 115.31 120.63 1b28 h LEU 19 Ca 0.05 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 1b28 h LEU 19 Cb 0.37 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 1b28 h LEU 19 CO 0.01 0.52 -0.21 0.44 -0.34 0.00 0.00 178.44 178.86 1b28 h ASP 20 N 0.85 0.00 0.54 1.25 3.32 -1.18 0.15 116.42 121.35 1b28 h ASP 20 Ca 0.24 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 57.08 1b28 h ASP 20 Cb -0.08 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 1b28 h ASP 20 CO -0.06 0.21 -0.92 0.25 -1.72 0.00 0.00 179.24 176.99 1b28 h LEU 21 N 0.00 0.33 -1.26 1.55 5.85 -1.07 0.45 115.31 121.16 1b28 h LEU 21 Ca -0.00 -0.27 -0.05 0.00 0.84 0.00 0.00 57.88 58.39 1b28 h LEU 21 Cb 0.64 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 1b28 h LEU 21 CO 0.03 1.09 -0.07 0.58 -0.34 0.00 0.00 178.44 179.73 1b28 h VAL 22 N 0.13 1.20 -0.40 1.05 2.07 -0.52 -0.89 116.25 118.89 1b28 h VAL 22 Ca -0.06 -0.83 -0.09 0.00 0.82 0.00 0.00 66.70 66.54 1b28 h VAL 22 Cb 1.56 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 32.39 1b28 h VAL 22 CO 0.15 0.27 -0.12 0.03 0.02 0.00 0.00 177.57 177.92 1b28 h ARG 23 N 0.40 0.72 0.53 1.57 2.47 -0.54 -2.28 114.38 117.25 1b28 h ARG 23 Ca 0.08 -0.24 -0.03 0.00 -1.26 0.00 0.00 59.98 58.54 1b28 h ARG 23 Cb 0.38 -0.06 0.01 0.00 -1.65 0.00 0.00 29.97 28.64 1b28 h ARG 23 CO 0.02 0.82 -0.25 -0.22 0.56 0.00 0.00 179.97 180.89 1b28 h LYS 24 N 0.66 -0.68 -0.84 0.04 1.63 -0.20 -2.60 116.57 114.58 1b28 h LYS 24 Ca 0.11 0.05 0.09 0.00 -0.85 0.00 0.00 60.65 60.05 1b28 h LYS 24 Cb 0.58 0.15 -0.06 0.00 -0.60 0.00 0.00 32.23 32.31 1b28 h LYS 24 CO 0.04 -0.39 0.54 0.28 -3.45 0.00 0.00 179.45 176.48 1b28 h VAL 25 N -0.89 0.97 -0.38 2.00 2.07 -1.22 -1.54 116.25 117.26 1b28 h VAL 25 Ca -0.07 -0.28 -0.05 0.00 0.82 0.00 0.00 66.70 67.12 1b28 h VAL 25 Cb 0.61 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 1b28 h VAL 25 CO 0.12 0.15 0.03 0.00 0.02 0.00 0.00 177.57 177.89 1b28 h ALA 26 N 1.57 1.35 -0.27 1.67 0.00 -1.35 -2.58 119.26 119.65 1b28 h ALA 26 Ca 0.38 -0.20 -0.19 0.00 0.00 0.00 0.00 54.91 54.91 1b28 h ALA 26 Cb 0.40 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1b28 h ALA 26 CO -0.15 0.45 -0.56 0.93 0.00 0.00 0.00 179.25 179.92 1b28 h GLU 27 N 0.57 0.86 -0.15 0.00 5.08 -0.91 -1.09 114.58 118.94 1b28 h GLU 27 Ca 0.12 -0.56 -0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1b28 h GLU 27 Cb 0.31 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1b28 h GLU 27 CO 0.01 1.19 0.09 0.93 -1.00 0.00 0.00 179.01 180.23 1b28 h GLU 28 N 0.64 0.21 0.00 2.33 5.08 -1.16 -1.74 114.58 119.93 1b28 h GLU 28 Ca 0.01 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1b28 h GLU 28 Cb 1.18 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1b28 h GLU 28 CO 0.12 0.20 0.00 0.09 -1.00 0.00 0.00 179.01 178.43 1b28 n ASN 29 N -4.94 0.38 -3.08 1.42 3.02 -0.99 -4.95 115.26 106.11 1b28 n ASN 29 Ca -0.04 0.55 -0.13 0.00 -0.03 0.00 0.00 54.58 54.93 1b28 n ASN 29 Cb 0.06 -0.65 0.06 0.00 -0.61 0.00 0.00 39.78 38.64 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 0.91 -0.98 3.01 7.41 0.00 -0.66 -5.04 105.19 109.85 1b28 n GLY 30 Ca 0.05 0.50 -0.10 0.00 0.00 0.00 0.00 46.02 46.48 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 -4.21 0.34 0.39 1.61 0.00 -0.49 -5.04 119.30 111.90 1b28 s MET 31 Ca 0.40 -0.49 -0.27 0.00 0.00 0.00 0.00 55.69 55.33 1b28 s MET 31 Cb -0.05 0.13 -0.09 0.00 0.00 0.00 0.00 34.83 34.81 1b28 s MET 31 CO 0.67 -0.06 1.35 0.45 0.00 0.00 0.00 175.02 177.43 1b28 s SER 32 N -1.31 6.34 0.27 1.11 0.15 -1.26 -4.66 113.70 114.33 1b28 s SER 32 Ca -0.14 2.76 -0.03 0.00 0.70 0.00 0.00 55.95 59.24 1b28 s SER 32 Cb -0.08 -2.65 0.34 0.00 -1.71 0.00 0.00 66.02 61.92 1b28 s SER 32 CO -0.00 -0.84 1.83 -0.37 1.20 0.00 0.00 173.24 175.05 1b28 h VAL 33 N 2.62 1.23 -0.16 4.45 -1.51 -1.97 -1.66 116.25 119.25 1b28 h VAL 33 Ca -0.50 -0.77 -0.01 0.00 -1.23 0.00 0.00 66.70 64.19 1b28 h VAL 33 Cb 1.24 0.51 -0.01 0.00 -2.13 0.00 0.00 31.29 30.91 1b28 h VAL 33 CO 0.63 0.30 0.07 0.78 -1.23 0.00 0.00 177.57 178.12 1b28 h ASN 34 N 0.93 0.23 0.73 4.19 2.35 -2.00 -2.77 115.58 119.23 1b28 h ASN 34 Ca 0.21 -0.16 -0.07 0.00 -0.55 0.00 0.00 56.30 55.74 1b28 h ASN 34 Cb 0.23 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 1b28 h ASN 34 CO -0.01 0.32 -0.31 0.28 -1.65 0.00 0.00 177.43 176.05 1b28 h SER 35 N 0.12 0.00 0.52 5.81 0.02 -1.95 -2.20 113.55 115.87 1b28 h SER 35 Ca 0.06 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.98 1b28 h SER 35 Cb 0.16 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.71 1b28 h SER 35 CO -0.00 0.31 -0.25 0.22 -1.14 0.00 0.00 176.83 175.97 1b28 h TYR 36 N 0.00 -0.65 0.00 3.45 3.20 -1.03 -1.33 116.97 120.61 1b28 h TYR 36 Ca -0.00 -0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.80 1b28 h TYR 36 Cb 0.76 0.22 -0.01 0.00 1.54 0.00 0.00 36.73 39.24 1b28 h TYR 36 CO 0.00 -0.33 -0.27 0.82 -1.64 0.00 0.00 178.16 176.74 1b28 h ILE 37 N -1.06 0.74 -0.94 1.81 5.03 -1.62 -0.70 117.51 120.77 1b28 h ILE 37 Ca -0.07 -1.14 0.07 0.00 -0.12 0.00 0.00 64.86 63.60 1b28 h ILE 37 Cb 0.61 1.72 -0.06 0.00 -3.03 0.00 0.00 36.82 36.06 1b28 h ILE 37 CO 0.12 0.26 0.61 0.22 -0.68 0.00 0.00 178.15 178.68 1b28 h TYR 38 N 0.00 1.09 0.00 1.37 3.20 -1.35 -1.44 116.97 119.84 1b28 h TYR 38 Ca -0.00 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.85 1b28 h TYR 38 Cb 0.70 -0.36 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 1b28 h TYR 38 CO 0.00 0.55 -0.23 1.96 -1.64 0.00 0.00 178.16 178.80 1b28 h GLN 39 N 1.06 0.00 0.15 1.82 1.08 0.04 -2.53 115.11 116.72 1b28 h GLN 39 Ca 0.41 0.00 -0.29 0.00 -1.45 0.00 0.00 58.65 57.32 1b28 h GLN 39 Cb 0.23 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.67 1b28 h GLN 39 CO -0.16 0.23 -1.36 -0.07 -0.95 0.00 0.00 178.83 176.52 1b28 h LEU 40 N 0.00 0.49 -1.18 1.46 3.38 -0.47 -0.05 115.31 118.93 1b28 h LEU 40 Ca -0.00 -0.56 -0.08 0.00 0.09 0.00 0.00 57.88 57.32 1b28 h LEU 40 Cb 1.02 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 1b28 h LEU 40 CO 0.03 1.45 -0.39 -0.37 0.09 0.00 0.00 178.44 179.24 1b28 h VAL 41 N 0.09 1.29 0.00 1.22 -1.51 -1.39 -2.37 116.25 113.58 1b28 h VAL 41 Ca -0.18 -1.36 0.00 0.00 -1.23 0.00 0.00 66.70 63.92 1b28 h VAL 41 Cb 2.02 1.71 0.00 0.00 -2.13 0.00 0.00 31.29 32.89 1b28 h VAL 41 CO 0.21 0.39 -0.19 0.24 -1.23 0.00 0.00 177.57 176.99 1b28 h MET 42 N 0.03 0.00 0.00 5.19 2.86 -1.34 -0.01 114.93 121.66 1b28 h MET 42 Ca -0.00 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.42 1b28 h MET 42 Cb 0.71 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.33 1b28 h MET 42 CO 0.05 0.00 -1.42 0.93 1.06 0.00 0.00 176.91 177.53 1b28 h GLU 43 N 0.00 0.00 0.00 1.72 5.08 -0.88 -3.39 114.58 117.11 1b28 h GLU 43 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1b28 h GLU 43 Cb 0.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.10 1b28 h GLU 43 CO 0.00 0.48 0.00 0.45 -1.00 0.00 0.00 179.01 178.94 1b28 n SER 44 N -3.04 0.00 -4.67 1.42 2.88 -0.90 -4.91 113.62 104.40 1b28 n SER 44 Ca -0.11 0.12 -0.30 0.00 -1.33 0.00 0.00 58.87 57.26 1b28 n SER 44 Cb 0.94 -0.38 0.16 0.00 -0.75 0.00 0.00 64.21 64.18 1b28 n SER 44 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 1b28 s PHE 45 N -0.76 2.03 0.00 0.66 5.36 -0.02 -3.19 117.98 122.06 1b28 s PHE 45 Ca 0.00 1.35 0.00 0.00 -0.96 0.00 0.00 56.93 57.32 1b28 s PHE 45 Cb 0.00 -3.18 0.00 0.00 -0.34 0.00 0.00 43.02 39.50 1b28 s PHE 45 CO 0.00 -2.72 0.00 1.17 -1.46 0.00 0.00 175.22 172.21 1b28 n LYS 46 N -4.12 0.00 0.00 10.12 4.81 -1.25 -3.62 118.16 124.10 1b28 n LYS 46 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.51 1b28 n LYS 46 Cb 0.54 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.59 1b28 n LYS 46 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1b28 n LYS 47 N 0.00 0.00 -1.00 1.64 3.00 -1.26 -4.69 118.16 115.85 1b28 n LYS 47 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1b28 n LYS 47 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 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 -0.21 -0.02 -1.37 1.64 1.02 -1.26 -4.90 120.64 115.54 1b28 n GLU 48 Ca 0.00 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.87 1b28 n GLU 48 Cb 0.00 -2.92 0.10 0.00 -0.02 0.00 0.00 31.44 28.61 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 -2.75 5.59 0.00 0.62 0.00 -1.26 -3.73 105.19 103.66 1b28 n GLY 49 Ca 0.00 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 44.01 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 -0.95 0.00 -0.06 1.61 3.00 -1.26 -4.77 116.66 114.23 1b28 n ARG 50 Ca 0.55 0.00 -0.01 0.00 -0.01 0.00 0.00 57.85 58.38 1b28 n ARG 50 Cb 0.96 0.00 0.27 0.00 0.00 0.00 0.00 32.46 33.68 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 1.20 -1.25 0.55 6.09 -1.84 -3.41 117.51 118.85 1b28 h ILE 51 Ca 0.00 -0.71 -0.08 0.00 -1.37 0.00 0.00 64.86 62.70 1b28 h ILE 51 Cb 0.00 0.75 -0.23 0.00 0.47 0.00 0.00 36.82 37.81 1b28 h ILE 51 CO 0.00 0.26 -0.46 -0.83 -3.07 0.00 0.00 178.15 174.05 1b28 s GLY 52 N -3.73 -0.99 0.00 8.18 0.00 -1.26 -5.09 107.32 104.43 1b28 s GLY 52 Ca -0.09 0.45 0.29 0.00 0.00 0.00 0.00 44.72 45.38 1b28 s GLY 52 CO 0.78 3.45 1.92 0.00 0.00 0.00 0.00 173.10 179.25