#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fi9 s ASP 2 N 0.00 6.83 0.12 1.61 2.15 -1.26 -4.67 116.67 121.45 1fi9 s ASP 2 Ca 0.00 2.29 -0.13 0.00 0.43 0.00 0.00 52.55 55.14 1fi9 s ASP 2 Cb 0.00 -2.58 -0.05 0.00 -0.30 0.00 0.00 42.92 39.99 1fi9 s ASP 2 CO 0.00 -0.67 1.47 0.58 -0.17 0.00 0.00 175.17 176.38 1fi9 h VAL 3 N 4.39 1.28 0.71 1.11 2.07 -1.85 0.51 116.25 124.47 1fi9 h VAL 3 Ca -0.41 -1.45 -0.03 0.00 0.82 0.00 0.00 66.70 65.62 1fi9 h VAL 3 Cb 1.20 1.41 0.01 0.00 -1.52 0.00 0.00 31.29 32.39 1fi9 h VAL 3 CO 0.87 0.48 -0.34 -0.33 0.02 0.00 0.00 177.57 178.27 1fi9 h GLU 4 N 0.62 -0.92 -0.77 1.57 4.39 -1.92 0.72 114.58 118.27 1fi9 h GLU 4 Ca 0.07 0.06 0.06 0.00 0.34 0.00 0.00 59.36 59.89 1fi9 h GLU 4 Cb 0.86 0.21 -0.06 0.00 -0.10 0.00 0.00 28.75 29.66 1fi9 h GLU 4 CO 0.07 -0.61 0.45 0.87 -1.16 0.00 0.00 179.01 178.63 1fi9 h LYS 5 N -1.12 0.80 -0.82 2.33 1.57 -1.93 -0.55 116.57 116.84 1fi9 h LYS 5 Ca -0.10 -0.05 0.17 0.00 -1.87 0.00 0.00 60.65 58.81 1fi9 h LYS 5 Cb 0.73 -0.18 -0.11 0.00 0.08 0.00 0.00 32.23 32.75 1fi9 h LYS 5 CO 0.16 0.53 0.34 0.78 -0.57 0.00 0.00 179.45 180.69 1fi9 h GLY 6 N 0.82 1.31 0.96 3.86 0.00 -0.73 0.33 103.07 109.62 1fi9 h GLY 6 Ca 0.34 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.50 1fi9 h GLY 6 CO -0.18 -0.16 -0.12 1.70 0.00 0.00 0.00 176.54 177.77 1fi9 h LYS 7 N 0.43 -0.33 -0.45 4.80 3.64 0.74 -0.19 116.57 125.22 1fi9 h LYS 7 Ca 0.48 0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.81 1fi9 h LYS 7 Cb 0.80 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.68 1fi9 h LYS 7 CO -0.46 -0.19 0.02 0.87 -2.27 0.00 0.00 179.45 177.42 1fi9 h LYS 8 N -0.38 0.78 0.04 1.90 1.79 -0.66 -2.63 116.57 117.41 1fi9 h LYS 8 Ca -0.03 -0.24 0.03 0.00 -2.18 0.00 0.00 60.65 58.23 1fi9 h LYS 8 Cb 0.29 -0.08 -0.05 0.00 -1.58 0.00 0.00 32.23 30.82 1fi9 h LYS 8 CO 0.06 0.83 -0.30 0.82 -1.08 0.00 0.00 179.45 179.77 1fi9 h ILE 9 N 0.63 0.34 -0.85 1.86 2.04 -0.24 0.40 117.51 121.68 1fi9 h ILE 9 Ca 0.13 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.21 1fi9 h ILE 9 Cb 0.47 0.34 -0.14 0.00 -0.74 0.00 0.00 36.82 36.74 1fi9 h ILE 9 CO 0.02 0.00 0.16 0.15 0.00 0.00 0.00 178.15 178.48 1fi9 h PHE 10 N -0.48 0.23 0.00 1.37 3.57 -0.88 0.58 116.94 121.33 1fi9 h PHE 10 Ca 0.05 0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.57 1fi9 h PHE 10 Cb 0.55 0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.32 1fi9 h PHE 10 CO -0.31 -0.22 -0.16 0.28 -2.23 0.00 0.00 178.31 175.67 1fi9 h VAL 11 N 0.18 0.33 0.00 1.41 2.07 -0.75 0.91 116.25 120.40 1fi9 h VAL 11 Ca 0.51 -1.13 0.00 0.00 0.82 0.00 0.00 66.70 66.90 1fi9 h VAL 11 Cb 1.00 1.88 0.00 0.00 -1.52 0.00 0.00 31.29 32.65 1fi9 h VAL 11 CO -0.66 0.16 -1.10 0.00 0.02 0.00 0.00 177.57 175.98 1fi9 n GLN 12 N -3.22 0.14 -0.06 1.57 1.13 0.12 -4.45 117.38 112.62 1fi9 n GLN 12 Ca 0.02 -0.03 -0.11 0.00 -1.94 0.00 0.00 57.00 54.93 1fi9 n GLN 12 Cb 0.48 -1.52 -0.04 0.00 0.11 0.00 0.00 30.24 29.27 1fi9 n GLN 12 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1fi9 n LYS 13 N -1.68 0.25 0.00 -1.09 4.76 0.17 -5.00 118.16 115.57 1fi9 n LYS 13 Ca 0.03 0.10 0.00 0.00 -2.87 0.00 0.00 58.31 55.56 1fi9 n LYS 13 Cb 0.38 -0.97 0.00 0.00 -1.84 0.00 0.00 35.03 32.60 1fi9 n LYS 13 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1fi9 n ALA 15 N -2.43 0.00 -1.09 0.00 0.00 -0.46 -2.89 120.51 113.64 1fi9 n ALA 15 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 1fi9 n ALA 15 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 1fi9 n ALA 15 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1fi9 n GLN 16 N 0.00 2.66 0.00 0.00 6.02 -1.26 -3.11 117.38 121.69 1fi9 n GLN 16 Ca 0.00 -1.49 0.00 0.00 -0.01 0.00 0.00 57.00 55.50 1fi9 n GLN 16 Cb 0.00 -2.34 0.00 0.00 1.02 0.00 0.00 30.24 28.92 1fi9 n GLN 16 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1fi9 s HIS 18 N -1.26 2.17 0.00 0.00 3.76 -1.18 -1.60 115.29 117.18 1fi9 s HIS 18 Ca 0.00 -0.38 0.00 0.00 -0.15 0.00 0.00 55.06 54.53 1fi9 s HIS 18 Cb 0.00 -1.00 0.00 0.00 1.11 0.00 0.00 32.58 32.69 1fi9 s HIS 18 CO 0.00 0.57 0.00 2.41 -0.85 0.00 0.00 174.74 176.87 1fi9 n THR 19 N -0.22 0.00 -1.79 1.30 -1.04 -1.26 -4.09 114.28 107.18 1fi9 n THR 19 Ca -0.09 0.00 -0.21 0.00 -2.04 0.00 0.00 64.05 61.71 1fi9 n THR 19 Cb 0.58 -0.75 -0.07 0.00 -1.82 0.00 0.00 70.33 68.28 1fi9 n THR 19 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 1fi9 n VAL 20 N -2.59 -0.22 -4.15 12.58 0.24 -1.26 -4.86 118.33 118.06 1fi9 n VAL 20 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.19 1fi9 n VAL 20 Cb 0.47 -2.22 -0.09 0.00 -1.47 0.00 0.00 33.84 30.53 1fi9 n VAL 20 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 1fi9 s GLU 21 N -4.06 1.18 0.68 7.34 -1.05 -1.26 -3.48 118.70 118.04 1fi9 s GLU 21 Ca 0.00 -1.51 -0.15 0.00 -0.15 0.00 0.00 54.97 53.16 1fi9 s GLU 21 Cb 0.00 0.30 0.01 0.00 -0.44 0.00 0.00 34.13 34.00 1fi9 s GLU 21 CO 0.00 -0.39 1.12 0.15 0.95 0.00 0.00 175.26 177.09 1fi9 s LYS 22 N -4.10 2.66 -1.19 -4.83 -0.14 -1.26 -3.20 119.74 107.67 1fi9 s LYS 22 Ca 0.32 1.42 0.00 0.00 -1.36 0.00 0.00 55.97 56.36 1fi9 s LYS 22 Cb 0.06 -1.93 0.00 0.00 -1.68 0.00 0.00 37.83 34.28 1fi9 s LYS 22 CO 0.09 -1.36 0.00 0.41 -0.76 0.00 0.00 175.35 173.72 1fi9 n GLY 23 N -0.44 1.19 0.27 -3.33 0.00 -1.26 -4.87 105.19 96.74 1fi9 n GLY 23 Ca 0.11 -0.23 0.07 0.00 0.00 0.00 0.00 46.02 45.96 1fi9 n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fi9 n GLY 24 N -0.87 -0.36 1.54 -0.02 0.00 -1.19 -5.02 105.19 99.26 1fi9 n GLY 24 Ca -0.11 -0.22 0.18 0.00 0.00 0.00 0.00 46.02 45.87 1fi9 n GLY 24 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1fi9 n LYS 25 N -0.19 -2.63 0.00 1.61 5.02 -1.26 -4.76 118.16 115.95 1fi9 n LYS 25 Ca 0.11 1.73 0.00 0.00 -2.02 0.00 0.00 58.31 58.13 1fi9 n LYS 25 Cb 0.16 -3.21 0.00 0.00 -0.02 0.00 0.00 35.03 31.97 1fi9 n LYS 25 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1fi9 n HIS 26 N -3.92 0.00 -3.70 2.13 8.25 -1.26 -4.04 115.22 112.68 1fi9 n HIS 26 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 1fi9 n HIS 26 Cb 0.59 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.51 1fi9 n HIS 26 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1fi9 n LYS 27 N -1.89 0.00 0.35 -0.41 5.02 -1.26 -4.03 118.16 115.94 1fi9 n LYS 27 Ca 0.00 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.15 1fi9 n LYS 27 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 34.94 1fi9 n LYS 27 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1fi9 h THR 28 N 0.00 0.00 -3.33 -0.18 2.02 -1.94 -3.41 112.91 106.07 1fi9 h THR 28 Ca 0.00 -0.31 -0.56 0.00 0.77 0.00 0.00 66.41 66.31 1fi9 h THR 28 Cb 0.00 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.37 1fi9 h THR 28 CO 0.00 0.00 0.38 -0.83 0.37 0.00 0.00 175.52 175.44 1fi9 s GLY 29 N -2.48 2.53 0.63 2.16 0.00 -0.62 -5.03 107.32 104.50 1fi9 s GLY 29 Ca -0.14 0.31 -0.18 0.00 0.00 0.00 0.00 44.72 44.72 1fi9 s GLY 29 CO 0.41 1.66 1.20 2.56 0.00 0.00 0.00 173.10 178.93 1fi9 s PRO 30 N 1.50 2.77 -0.50 2.90 0.04 -1.26 -4.35 135.00 136.10 1fi9 s PRO 30 Ca 0.45 1.79 -0.27 0.00 0.04 0.00 0.00 61.00 63.01 1fi9 s PRO 30 Cb -0.19 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.42 1fi9 s PRO 30 CO 0.20 -1.36 1.94 0.54 0.04 0.00 0.00 177.00 178.36 1fi9 s ASN 31 N -1.76 5.33 -0.40 6.66 4.22 -1.26 -4.37 114.94 123.37 1fi9 s ASN 31 Ca 0.76 0.79 -0.06 0.00 -2.14 0.00 0.00 52.86 52.21 1fi9 s ASN 31 Cb -0.30 -2.52 -0.19 0.00 1.28 0.00 0.00 41.25 39.52 1fi9 s ASN 31 CO 0.37 -2.24 3.05 0.18 -2.04 0.00 0.00 177.10 176.41 1fi9 n LEU 32 N 12.47 5.37 -3.69 3.54 4.77 -1.26 -4.63 117.00 133.57 1fi9 n LEU 32 Ca 0.24 -3.11 -0.42 0.00 -0.03 0.00 0.00 56.01 52.69 1fi9 n LEU 32 Cb 0.51 -1.28 -0.01 0.00 -2.33 0.00 0.00 43.42 40.31 1fi9 n LEU 32 CO 0.70 1.45 2.62 1.57 -1.33 0.00 0.00 177.39 182.40 1fi9 n HIS 33 N 2.91 3.20 0.00 -1.77 -0.00 -1.26 -3.08 115.22 115.22 1fi9 n HIS 33 Ca 0.46 -2.78 0.00 0.00 0.46 0.00 0.00 57.72 55.86 1fi9 n HIS 33 Cb 0.62 -2.41 0.00 0.00 -0.12 0.00 0.00 29.99 28.09 1fi9 n HIS 33 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1fi9 n GLY 34 N 4.15 0.00 0.14 1.57 0.00 -1.19 -4.96 105.19 104.90 1fi9 n GLY 34 Ca 0.52 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.46 1fi9 n GLY 34 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1fi9 h LEU 35 N 0.00 -0.19 -8.86 0.99 5.85 -1.82 -3.35 115.31 107.93 1fi9 h LEU 35 Ca 0.00 -0.27 -0.57 0.00 0.84 0.00 0.00 57.88 57.88 1fi9 h LEU 35 Cb 0.00 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.03 1fi9 h LEU 35 CO 0.00 0.37 1.04 -0.36 -0.34 0.00 0.00 178.44 179.14 1fi9 s PHE 36 N -2.94 2.49 0.00 1.25 0.40 -1.25 -2.65 117.98 115.27 1fi9 s PHE 36 Ca -0.10 0.74 0.00 0.00 -0.60 0.00 0.00 56.93 56.97 1fi9 s PHE 36 Cb 0.00 -4.14 0.00 0.00 0.51 0.00 0.00 43.02 39.39 1fi9 s PHE 36 CO 0.36 -1.93 0.00 0.41 0.70 0.00 0.00 175.22 174.76 1fi9 n GLY 37 N 4.77 1.26 3.09 4.36 0.00 -1.26 -4.95 105.19 112.46 1fi9 n GLY 37 Ca 0.16 -0.07 -0.10 0.00 0.00 0.00 0.00 46.02 46.02 1fi9 n GLY 37 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1fi9 s ARG 38 N -0.48 0.52 0.74 1.61 3.52 -1.09 -5.12 118.95 118.65 1fi9 s ARG 38 Ca 0.00 -0.66 -0.12 0.00 -0.13 0.00 0.00 55.73 54.83 1fi9 s ARG 38 Cb 0.00 0.20 0.03 0.00 -1.56 0.00 0.00 34.95 33.63 1fi9 s ARG 38 CO 0.00 -0.12 1.11 0.15 -0.81 0.00 0.00 175.30 175.62 1fi9 s LYS 39 N -2.16 2.59 0.84 5.12 1.02 -1.26 -3.39 119.74 122.50 1fi9 s LYS 39 Ca -0.09 0.46 -0.14 0.00 0.02 0.00 0.00 55.97 56.22 1fi9 s LYS 39 Cb -0.04 -1.99 0.21 0.00 -0.52 0.00 0.00 37.83 35.49 1fi9 s LYS 39 CO -0.03 -1.22 0.83 0.25 -0.92 0.00 0.00 175.35 174.26 1fi9 n THR 40 N -3.13 0.00 -3.92 2.17 -2.24 -0.02 -4.22 114.28 102.91 1fi9 n THR 40 Ca 0.07 -0.43 -0.31 0.00 -2.27 0.00 0.00 64.05 61.10 1fi9 n THR 40 Cb 0.57 -1.29 -0.00 0.00 -2.10 0.00 0.00 70.33 67.52 1fi9 n THR 40 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fi9 n GLY 41 N -2.37 -0.48 2.23 3.38 0.00 -0.35 -4.85 105.19 102.76 1fi9 n GLY 41 Ca 0.11 0.15 -0.17 0.00 0.00 0.00 0.00 46.02 46.11 1fi9 n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1fi9 n GLN 42 N -4.37 0.98 -2.13 1.61 1.13 -1.26 -4.84 117.38 108.50 1fi9 n GLN 42 Ca 0.05 -3.33 -0.36 0.00 -1.94 0.00 0.00 57.00 51.42 1fi9 n GLN 42 Cb 0.51 -1.67 0.01 0.00 0.11 0.00 0.00 30.24 29.21 1fi9 n GLN 42 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1fi9 s ALA 43 N -2.37 2.77 -0.04 -1.58 0.00 -1.26 -5.01 121.76 114.26 1fi9 s ALA 43 Ca 0.39 0.98 -0.06 0.00 0.00 0.00 0.00 51.96 53.27 1fi9 s ALA 43 Cb 0.35 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 20.02 1fi9 s ALA 43 CO -0.07 -0.92 0.33 -1.00 0.00 0.00 0.00 175.76 174.10 1fi9 h PRO 44 N 1.44 -0.21 -1.49 0.00 0.13 -1.99 -3.42 132.00 126.47 1fi9 h PRO 44 Ca -0.50 0.01 -0.42 0.00 -0.87 0.00 0.00 66.00 64.23 1fi9 h PRO 44 Cb 1.27 0.05 -0.35 0.00 0.13 0.00 0.00 31.00 32.10 1fi9 h PRO 44 CO 0.58 -0.14 -1.05 0.41 -0.23 0.00 0.00 178.00 177.57 1fi9 n GLY 45 N 1.07 2.79 3.14 1.56 0.00 -1.26 -5.07 105.19 107.41 1fi9 n GLY 45 Ca -0.03 -1.31 -0.13 0.00 0.00 0.00 0.00 46.02 44.56 1fi9 n GLY 45 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1fi9 s PHE 46 N -1.98 -0.31 0.37 1.61 5.36 -1.26 -4.92 117.98 116.84 1fi9 s PHE 46 Ca 0.35 0.76 -0.28 0.00 -0.96 0.00 0.00 56.93 56.79 1fi9 s PHE 46 Cb 0.35 0.10 -0.11 0.00 -0.34 0.00 0.00 43.02 43.02 1fi9 s PHE 46 CO -0.06 -0.17 1.51 2.41 -1.46 0.00 0.00 175.22 177.45 1fi9 n THR 47 N 3.24 1.88 -1.34 0.12 -1.04 -1.26 -4.72 114.28 111.16 1fi9 n THR 47 Ca -0.16 -0.47 -0.30 0.00 -2.04 0.00 0.00 64.05 61.09 1fi9 n THR 47 Cb 0.57 -1.99 0.22 0.00 -1.82 0.00 0.00 70.33 67.31 1fi9 n THR 47 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1fi9 s TYR 48 N -0.98 0.89 0.05 -1.42 1.51 -1.26 -5.03 117.35 111.10 1fi9 s TYR 48 Ca 0.54 0.46 -0.01 0.00 -1.01 0.00 0.00 57.07 57.05 1fi9 s TYR 48 Cb -0.47 -3.64 -0.03 0.00 -0.11 0.00 0.00 41.96 37.71 1fi9 s TYR 48 CO 0.62 -3.47 -0.01 0.99 -1.11 0.00 0.00 175.55 172.56 1fi9 s THR 49 N -3.26 0.19 -1.20 -0.71 2.01 -1.26 -5.04 115.64 106.37 1fi9 s THR 49 Ca 0.71 -1.59 -0.08 0.00 0.31 0.00 0.00 61.69 61.04 1fi9 s THR 49 Cb -0.08 -1.26 -0.11 0.00 0.01 0.00 0.00 72.50 71.05 1fi9 s THR 49 CO 0.55 -0.88 2.90 0.47 -0.69 0.00 0.00 174.62 176.97 1fi9 n ASP 50 N 0.39 7.37 0.17 3.53 8.00 -1.26 -3.36 116.55 131.39 1fi9 n ASP 50 Ca -0.16 -2.49 0.00 0.00 0.71 0.00 0.00 54.79 52.85 1fi9 n ASP 50 Cb 0.60 -1.43 0.00 0.00 -0.02 0.00 0.00 41.12 40.27 1fi9 n ASP 50 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1fi9 n ALA 51 N 3.48 0.00 -0.29 2.24 0.00 -1.26 -4.75 120.51 119.93 1fi9 n ALA 51 Ca 0.66 0.00 0.06 0.00 0.00 0.00 0.00 53.44 54.16 1fi9 n ALA 51 Cb 0.33 0.00 0.21 0.00 0.00 0.00 0.00 19.45 19.99 1fi9 n ALA 51 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 1fi9 h ASN 52 N 0.00 0.57 0.61 0.00 -1.07 -1.95 0.10 115.58 113.84 1fi9 h ASN 52 Ca 0.00 0.08 -0.28 0.00 0.07 0.00 0.00 56.30 56.17 1fi9 h ASN 52 Cb 0.00 -0.01 0.00 0.00 -2.07 0.00 0.00 38.32 36.24 1fi9 h ASN 52 CO 0.00 0.26 -1.28 0.50 0.07 0.00 0.00 177.43 176.98 1fi9 h LYS 53 N 0.67 0.27 0.00 4.14 3.64 -1.88 -0.91 116.57 122.49 1fi9 h LYS 53 Ca 0.45 -0.46 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 1fi9 h LYS 53 Cb 0.58 0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.57 1fi9 h LYS 53 CO -0.33 1.21 -0.15 -0.97 -2.27 0.00 0.00 179.45 176.94 1fi9 h ASN 54 N 0.07 0.00 0.81 4.20 -0.73 -1.42 -3.17 115.58 115.34 1fi9 h ASN 54 Ca -0.15 0.00 -0.04 0.00 1.87 0.00 0.00 56.30 57.98 1fi9 h ASN 54 Cb 1.98 0.00 0.01 0.00 0.27 0.00 0.00 38.32 40.58 1fi9 h ASN 54 CO 0.20 0.15 -0.39 0.50 -0.37 0.00 0.00 177.43 177.52 1fi9 h LYS 55 N 0.00 -1.04 -4.99 6.67 3.64 -0.93 -3.48 116.57 116.44 1fi9 h LYS 55 Ca -0.00 0.07 -0.31 0.00 -1.27 0.00 0.00 60.65 59.14 1fi9 h LYS 55 Cb 0.27 0.24 0.12 0.00 -0.41 0.00 0.00 32.23 32.45 1fi9 h LYS 55 CO 0.02 -0.70 -0.59 0.41 -2.27 0.00 0.00 179.45 176.33 1fi9 n GLY 56 N -1.00 -0.26 0.00 5.01 0.00 -1.20 -5.03 105.19 102.71 1fi9 n GLY 56 Ca -0.13 0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1fi9 n GLY 56 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1fi9 n ILE 57 N -4.20 0.00 -4.20 -0.61 -6.64 -1.26 -4.89 119.36 97.56 1fi9 n ILE 57 Ca -0.08 0.00 -0.33 0.00 -1.77 0.00 0.00 62.75 60.56 1fi9 n ILE 57 Cb 0.58 -0.16 -0.16 0.00 -1.44 0.00 0.00 39.64 38.47 1fi9 n ILE 57 CO 0.00 0.00 0.00 0.42 -1.77 0.00 0.00 176.55 175.20 1fi9 s THR 58 N -0.47 2.37 -0.38 7.28 -4.23 -1.26 -0.84 115.64 118.11 1fi9 s THR 58 Ca 0.00 -0.84 -0.29 0.00 -1.18 0.00 0.00 61.69 59.38 1fi9 s THR 58 Cb 0.00 -2.01 0.00 0.00 1.34 0.00 0.00 72.50 71.83 1fi9 s THR 58 CO 0.00 0.52 1.45 0.26 -0.54 0.00 0.00 174.62 176.31 1fi9 s TRP 59 N 1.21 2.35 0.02 3.99 0.52 -1.22 -4.72 118.94 121.08 1fi9 s TRP 59 Ca 0.02 0.68 0.00 0.00 0.02 0.00 0.00 56.10 56.83 1fi9 s TRP 59 Cb -0.14 -4.22 0.00 0.00 -1.15 0.00 0.00 33.47 27.96 1fi9 s TRP 59 CO -0.08 -2.12 0.00 0.36 0.02 0.00 0.00 176.95 175.13 1fi9 n LYS 60 N 8.00 0.00 0.00 4.98 2.85 -1.26 -3.88 118.16 128.85 1fi9 n LYS 60 Ca 0.17 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.43 1fi9 n LYS 60 Cb 0.47 -0.17 0.00 0.00 -0.65 0.00 0.00 35.03 34.69 1fi9 n LYS 60 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 1fi9 n GLU 61 N -2.72 0.00 -0.23 -1.58 0.28 -1.26 -5.00 120.64 110.12 1fi9 n GLU 61 Ca 0.00 0.00 -0.06 0.00 -0.16 0.00 0.00 57.16 56.94 1fi9 n GLU 61 Cb 0.16 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 32.97 1fi9 n GLU 61 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1fi9 n GLU 62 N 0.00 -0.24 -0.17 3.44 1.02 -1.26 0.20 120.64 123.63 1fi9 n GLU 62 Ca 0.00 1.06 -0.04 0.00 -0.02 0.00 0.00 57.16 58.16 1fi9 n GLU 62 Cb 0.00 -1.56 0.05 0.00 -0.02 0.00 0.00 31.44 29.91 1fi9 n GLU 62 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1fi9 h THR 63 N 0.00 0.93 -0.86 2.62 2.02 -1.96 -2.25 112.91 113.42 1fi9 h THR 63 Ca 0.09 -0.16 0.05 0.00 0.77 0.00 0.00 66.41 67.16 1fi9 h THR 63 Cb 0.22 0.42 -0.06 0.00 -1.74 0.00 0.00 68.15 66.99 1fi9 h THR 63 CO -0.51 0.09 0.54 0.25 0.37 0.00 0.00 175.52 176.25 1fi9 h LEU 64 N 0.47 0.86 -0.95 2.58 6.46 -0.81 0.18 115.31 124.10 1fi9 h LEU 64 Ca 0.23 0.01 0.17 0.00 -0.12 0.00 0.00 57.88 58.16 1fi9 h LEU 64 Cb 0.16 -0.17 -0.10 0.00 -0.73 0.00 0.00 40.66 39.82 1fi9 h LEU 64 CO -0.17 0.56 0.55 0.24 -0.62 0.00 0.00 178.44 179.00 1fi9 h MET 65 N 1.00 0.72 0.14 1.25 2.86 0.38 -0.27 114.93 121.00 1fi9 h MET 65 Ca 0.37 -0.04 -0.36 0.00 -2.06 0.00 0.00 59.70 57.60 1fi9 h MET 65 Cb 0.13 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 1fi9 h MET 65 CO -0.16 0.48 -1.95 0.93 1.06 0.00 0.00 176.91 177.27 1fi9 h GLU 66 N 0.74 0.29 -0.46 1.72 5.08 -1.43 -3.14 114.58 117.38 1fi9 h GLU 66 Ca 0.53 -0.49 0.08 0.00 -1.00 0.00 0.00 59.36 58.47 1fi9 h GLU 66 Cb 0.76 0.18 -0.07 0.00 0.50 0.00 0.00 28.75 30.13 1fi9 h GLU 66 CO -0.36 1.23 0.07 -0.92 -1.00 0.00 0.00 179.01 178.03 1fi9 h TYR 67 N 0.08 0.10 -0.35 4.33 3.20 -0.05 0.27 116.97 124.54 1fi9 h TYR 67 Ca -0.41 0.03 -0.16 0.00 3.14 0.00 0.00 58.73 61.33 1fi9 h TYR 67 Cb 2.05 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 40.34 1fi9 h TYR 67 CO 0.08 -0.02 -0.42 -0.07 -1.64 0.00 0.00 178.16 176.09 1fi9 h LEU 68 N 0.20 0.96 -3.54 2.82 3.38 -1.25 -2.37 115.31 115.50 1fi9 h LEU 68 Ca 0.23 -0.45 -0.39 0.00 0.09 0.00 0.00 57.88 57.35 1fi9 h LEU 68 Cb 0.31 -0.27 -0.24 0.00 0.09 0.00 0.00 40.66 40.55 1fi9 h LEU 68 CO -0.32 1.25 0.50 1.21 0.09 0.00 0.00 178.44 181.17 1fi9 n GLU 69 N -4.04 2.01 0.00 1.13 0.00 -0.45 -4.16 120.64 115.12 1fi9 n GLU 69 Ca -0.03 -2.34 0.00 0.00 0.00 0.00 0.00 57.16 54.80 1fi9 n GLU 69 Cb 0.56 -1.92 0.00 0.00 0.00 0.00 0.00 31.44 30.08 1fi9 n GLU 69 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1fi9 n ASN 70 N -0.75 0.00 -0.00 4.31 3.02 0.81 -4.74 115.26 117.90 1fi9 n ASN 70 Ca 0.46 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.89 1fi9 n ASN 70 Cb 1.41 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 40.50 1fi9 n ASN 70 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1fi9 h PRO 71 N 0.00 0.06 -2.28 3.52 0.13 -1.59 -3.15 132.00 128.70 1fi9 h PRO 71 Ca 0.00 -0.02 -0.28 0.00 -0.87 0.00 0.00 66.00 64.84 1fi9 h PRO 71 Cb 0.00 -0.01 -0.05 0.00 0.13 0.00 0.00 31.00 31.08 1fi9 h PRO 71 CO 0.00 0.31 0.53 0.36 -0.23 0.00 0.00 178.00 178.97 1fi9 n LYS 72 N -4.92 2.22 0.11 0.86 0.00 -1.26 -3.91 118.16 111.26 1fi9 n LYS 72 Ca -0.07 -1.19 0.00 0.00 -0.00 0.00 0.00 58.31 57.05 1fi9 n LYS 72 Cb 0.16 -2.14 0.00 0.00 -0.00 0.00 0.00 35.03 33.05 1fi9 n LYS 72 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1fi9 n LYS 73 N 2.77 0.00 -0.20 -1.58 3.00 -1.19 -4.81 118.16 116.15 1fi9 n LYS 73 Ca 0.48 0.00 0.01 0.00 -0.00 0.00 0.00 58.31 58.79 1fi9 n LYS 73 Cb 0.72 0.00 0.11 0.00 0.00 0.00 0.00 35.03 35.87 1fi9 n LYS 73 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.40 179.28 1fi9 h TYR 74 N 0.00 0.28 -1.53 5.64 0.05 -1.69 -3.40 116.97 116.32 1fi9 h TYR 74 Ca 0.00 0.03 -0.06 0.00 0.05 0.00 0.00 58.73 58.75 1fi9 h TYR 74 Cb 0.00 -0.03 -0.26 0.00 1.01 0.00 0.00 36.73 37.45 1fi9 h TYR 74 CO 0.00 0.01 -0.41 -1.50 -1.05 0.00 0.00 178.16 175.21 1fi9 s ILE 75 N -6.10 -0.76 -1.28 -2.88 2.07 -1.26 -5.08 121.20 105.92 1fi9 s ILE 75 Ca -0.13 -0.06 -0.16 0.00 -1.41 0.00 0.00 60.65 58.89 1fi9 s ILE 75 Cb 0.18 -0.90 -0.01 0.00 0.13 0.00 0.00 42.46 41.86 1fi9 s ILE 75 CO 0.74 -0.09 2.14 -0.81 -1.91 0.00 0.00 174.94 175.02 1fi9 n PRO 76 N 5.39 2.50 0.00 3.50 -0.04 -1.26 -4.11 135.00 140.98 1fi9 n PRO 76 Ca -0.02 -2.41 0.00 0.00 -0.04 0.00 0.00 63.50 61.03 1fi9 n PRO 76 Cb 0.51 -3.20 0.00 0.00 -0.04 0.00 0.00 33.50 30.77 1fi9 n PRO 76 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1fi9 n GLY 77 N 4.23 -1.92 1.22 0.55 0.00 -1.26 -5.08 105.19 102.93 1fi9 n GLY 77 Ca 0.51 0.94 0.00 0.00 0.00 0.00 0.00 46.02 47.47 1fi9 n GLY 77 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1fi9 n THR 78 N 0.00 0.68 0.00 2.61 -2.24 -1.26 -4.71 114.28 109.37 1fi9 n THR 78 Ca 0.00 0.23 0.00 0.00 -2.27 0.00 0.00 64.05 62.01 1fi9 n THR 78 Cb 0.00 -1.20 0.00 0.00 -2.10 0.00 0.00 70.33 67.03 1fi9 n THR 78 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1fi9 n LYS 79 N -3.18 0.00 -2.25 -0.78 2.85 -1.26 -5.09 118.16 108.45 1fi9 n LYS 79 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1fi9 n LYS 79 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1fi9 n LYS 79 CO 0.00 0.00 0.00 -0.12 -0.05 0.00 0.00 177.40 177.23 1fi9 n MET 80 N -1.30 -5.07 -0.02 -1.58 1.56 -1.26 -5.06 117.12 104.38 1fi9 n MET 80 Ca 0.00 3.68 -0.03 0.00 -0.27 0.00 0.00 57.70 61.08 1fi9 n MET 80 Cb 0.00 -4.48 -0.02 0.00 2.15 0.00 0.00 33.22 30.87 1fi9 n MET 80 CO 0.00 0.00 0.00 0.44 -0.73 0.00 0.00 175.97 175.68 1fi9 n ILE 81 N 1.77 0.23 -3.87 1.12 -5.35 -1.26 -5.09 119.36 106.91 1fi9 n ILE 81 Ca 0.00 -0.08 -0.04 0.00 -0.27 0.00 0.00 62.75 62.36 1fi9 n ILE 81 Cb 0.00 -0.85 0.02 0.00 -1.74 0.00 0.00 39.64 37.08 1fi9 n ILE 81 CO 0.00 0.00 0.00 2.22 -1.76 0.00 0.00 176.55 177.01 1fi9 n PHE 82 N -2.75 -1.51 0.43 4.28 1.16 -1.26 -5.06 117.46 112.75 1fi9 n PHE 82 Ca -0.07 -1.35 -0.17 0.00 -1.87 0.00 0.00 57.45 53.99 1fi9 n PHE 82 Cb 0.57 0.66 -0.08 0.00 -1.61 0.00 0.00 39.48 39.02 1fi9 n PHE 82 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1fi9 h ALA 83 N 2.00 -1.20 -2.65 1.98 0.00 -1.96 -3.42 119.26 114.01 1fi9 h ALA 83 Ca -0.28 -0.24 0.13 0.00 0.00 0.00 0.00 54.91 54.52 1fi9 h ALA 83 Cb 1.19 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 19.38 1fi9 h ALA 83 CO 0.37 -1.12 0.54 0.41 0.00 0.00 0.00 179.25 179.45 1fi9 n GLY 84 N -1.28 0.66 0.00 0.00 0.00 -1.26 -2.54 105.19 100.77 1fi9 n GLY 84 Ca -0.14 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.71 1fi9 n GLY 84 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1fi9 n ILE 85 N -0.70 0.00 0.03 -0.61 2.08 -1.26 -4.92 119.36 113.99 1fi9 n ILE 85 Ca -0.03 0.94 0.00 0.00 0.56 0.00 0.00 62.75 64.21 1fi9 n ILE 85 Cb 0.59 -1.79 0.00 0.00 -0.75 0.00 0.00 39.64 37.69 1fi9 n ILE 85 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 1fi9 n LYS 86 N -0.57 0.00 0.00 0.38 5.02 -1.26 -5.06 118.16 116.67 1fi9 n LYS 86 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1fi9 n LYS 86 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1fi9 n LYS 86 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1fi9 n LYS 87 N -2.69 0.00 -0.09 1.97 2.85 -1.26 -5.06 118.16 113.87 1fi9 n LYS 87 Ca 0.00 0.00 -0.21 0.00 -1.05 0.00 0.00 58.31 57.05 1fi9 n LYS 87 Cb 0.00 0.00 -0.12 0.00 -0.65 0.00 0.00 35.03 34.26 1fi9 n LYS 87 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 177.40 178.92 1fi9 h LYS 88 N 0.00 0.02 0.00 -1.58 2.10 -2.00 -3.36 116.57 111.75 1fi9 h LYS 88 Ca 0.00 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 1fi9 h LYS 88 Cb 0.00 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.34 1fi9 h LYS 88 CO 0.00 1.01 0.00 2.41 -2.00 0.00 0.00 179.45 180.87 1fi9 n THR 89 N -4.41 0.00 -0.16 0.07 -1.04 -1.26 -0.36 114.28 107.12 1fi9 n THR 89 Ca -0.28 1.46 -0.04 0.00 -2.04 0.00 0.00 64.05 63.16 1fi9 n THR 89 Cb 0.67 -2.32 0.03 0.00 -1.82 0.00 0.00 70.33 66.88 1fi9 n THR 89 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1fi9 h GLU 90 N 0.00 -0.06 -0.92 -2.82 3.07 -1.99 0.13 114.58 112.00 1fi9 h GLU 90 Ca 0.00 0.00 0.10 0.00 -0.50 0.00 0.00 59.36 58.96 1fi9 h GLU 90 Cb 0.00 0.01 -0.07 0.00 -0.84 0.00 0.00 28.75 27.85 1fi9 h GLU 90 CO 0.00 -0.04 0.56 -0.09 -1.40 0.00 0.00 179.01 178.04 1fi9 h ARG 91 N -0.06 0.92 -0.08 2.33 1.12 -1.67 0.17 114.38 117.11 1fi9 h ARG 91 Ca 0.24 -0.06 -0.08 0.00 -1.11 0.00 0.00 59.98 58.97 1fi9 h ARG 91 Cb 0.42 -0.21 0.00 0.00 -0.01 0.00 0.00 29.97 30.18 1fi9 h ARG 91 CO -0.54 0.61 -0.28 1.49 -3.11 0.00 0.00 179.97 178.14 1fi9 h GLU 92 N 0.94 0.33 -0.66 0.20 4.81 0.94 -1.93 114.58 119.21 1fi9 h GLU 92 Ca 0.44 -0.25 0.14 0.00 -0.13 0.00 0.00 59.36 59.56 1fi9 h GLU 92 Cb 0.35 0.04 -0.10 0.00 0.63 0.00 0.00 28.75 29.67 1fi9 h GLU 92 CO -0.23 0.88 0.08 -0.44 -0.73 0.00 0.00 179.01 178.57 1fi9 h ASP 93 N -0.15 -0.13 -0.19 1.04 3.32 -0.54 -1.00 116.42 118.77 1fi9 h ASP 93 Ca -0.01 0.15 0.04 0.00 0.02 0.00 0.00 57.03 57.22 1fi9 h ASP 93 Cb 0.91 0.23 -0.07 0.00 0.22 0.00 0.00 39.33 40.62 1fi9 h ASP 93 CO 0.06 -0.07 -0.50 0.25 -1.72 0.00 0.00 179.24 177.26 1fi9 h LEU 94 N 0.19 -1.61 -0.63 1.55 6.46 -0.43 -1.17 115.31 119.68 1fi9 h LEU 94 Ca 0.36 0.20 0.13 0.00 -0.12 0.00 0.00 57.88 58.45 1fi9 h LEU 94 Cb 0.59 0.64 -0.11 0.00 -0.73 0.00 0.00 40.66 41.06 1fi9 h LEU 94 CO -0.51 -0.45 0.00 0.40 -0.62 0.00 0.00 178.44 177.26 1fi9 h ILE 95 N -0.52 0.48 -0.38 4.05 5.03 -0.50 0.18 117.51 125.85 1fi9 h ILE 95 Ca 0.06 -0.04 0.05 0.00 -0.12 0.00 0.00 64.86 64.81 1fi9 h ILE 95 Cb 0.65 0.35 -0.05 0.00 -3.03 0.00 0.00 36.82 34.74 1fi9 h ILE 95 CO -0.46 0.02 0.09 0.00 -0.68 0.00 0.00 178.15 177.12 1fi9 h ALA 96 N 1.58 0.42 0.66 1.87 0.00 -0.05 0.12 119.26 123.86 1fi9 h ALA 96 Ca 0.33 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.28 1fi9 h ALA 96 Cb 0.54 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1fi9 h ALA 96 CO -0.54 -0.31 -0.45 -0.92 0.00 0.00 0.00 179.25 177.02 1fi9 h TYR 97 N 0.22 -1.23 -0.86 0.00 3.20 -0.76 -3.24 116.97 114.31 1fi9 h TYR 97 Ca 0.18 -0.01 0.22 0.00 3.14 0.00 0.00 58.73 62.26 1fi9 h TYR 97 Cb 0.20 0.45 -0.15 0.00 1.54 0.00 0.00 36.73 38.76 1fi9 h TYR 97 CO -0.18 -0.66 0.05 -0.07 -1.64 0.00 0.00 178.16 175.66 1fi9 h LEU 98 N -1.06 -0.33 -0.98 2.82 4.07 -0.27 0.29 115.31 119.84 1fi9 h LEU 98 Ca -0.09 0.22 0.15 0.00 0.08 0.00 0.00 57.88 58.25 1fi9 h LEU 98 Cb 0.87 0.38 -0.16 0.00 1.08 0.00 0.00 40.66 42.83 1fi9 h LEU 98 CO 0.06 -0.23 -0.38 1.17 -1.08 0.00 0.00 178.44 177.98 1fi9 n LYS 99 N -5.37 -0.23 -0.05 1.13 4.81 0.36 -0.88 118.16 117.93 1fi9 n LYS 99 Ca 0.18 1.51 -0.14 0.00 -0.87 0.00 0.00 58.31 58.99 1fi9 n LYS 99 Cb 0.60 -2.24 -0.13 0.00 0.02 0.00 0.00 35.03 33.29 1fi9 n LYS 99 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1fi9 h LYS 100 N 0.00 0.03 -0.29 1.64 1.79 -0.64 -3.33 116.57 115.78 1fi9 h LYS 100 Ca 0.34 -0.04 0.06 0.00 -2.18 0.00 0.00 60.65 58.83 1fi9 h LYS 100 Cb 0.59 0.02 -0.06 0.00 -1.58 0.00 0.00 32.23 31.19 1fi9 h LYS 100 CO -0.97 0.94 -0.10 0.00 -1.08 0.00 0.00 179.45 178.23 1fi9 h ALA 101 N 0.10 0.15 -0.61 3.86 0.00 -0.36 0.07 119.26 122.47 1fi9 h ALA 101 Ca -0.01 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1fi9 h ALA 101 Cb 0.96 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 1fi9 h ALA 101 CO 0.01 -0.49 0.32 1.79 0.00 0.00 0.00 179.25 180.88 1fi9 h THR 102 N -0.04 1.19 0.47 0.00 1.35 -1.04 -2.58 112.91 112.25 1fi9 h THR 102 Ca 0.15 -0.49 -0.01 0.00 -0.55 0.00 0.00 66.41 65.51 1fi9 h THR 102 Cb 0.26 0.38 -0.02 0.00 -1.73 0.00 0.00 68.15 67.05 1fi9 h THR 102 CO -0.32 0.21 -0.39 -1.13 -0.25 0.00 0.00 175.52 173.63 1fi9 h ASN 103 N 0.84 -1.05 0.00 5.36 -0.73 -1.14 -3.15 115.58 115.72 1fi9 h ASN 103 Ca 0.21 0.08 0.00 0.00 1.87 0.00 0.00 56.30 58.47 1fi9 h ASN 103 Cb 0.04 0.34 0.00 0.00 0.27 0.00 0.00 38.32 38.97 1fi9 h ASN 103 CO -0.03 -0.56 0.00 -0.62 -0.37 0.00 0.00 177.43 175.84