#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 7.02 0.19 1.61 2.15 -1.26 -4.68 116.67 121.70 1fi9 s ASP 2 Ca 0.00 1.99 -0.09 0.00 0.43 0.00 0.00 52.55 54.88 1fi9 s ASP 2 Cb 0.00 -2.57 0.10 0.00 -0.30 0.00 0.00 42.92 40.15 1fi9 s ASP 2 CO 0.00 -0.55 1.70 0.58 -0.17 0.00 0.00 175.17 176.73 1fi9 h VAL 3 N 4.70 1.26 0.61 1.11 2.07 -1.85 0.12 116.25 124.28 1fi9 h VAL 3 Ca -0.39 -0.98 -0.03 0.00 0.82 0.00 0.00 66.70 66.13 1fi9 h VAL 3 Cb 1.19 0.59 0.01 0.00 -1.52 0.00 0.00 31.29 31.56 1fi9 h VAL 3 CO 0.85 0.37 -0.29 -0.33 0.02 0.00 0.00 177.57 178.19 1fi9 h GLU 4 N 1.02 -0.79 -0.60 1.57 4.39 -1.92 0.25 114.58 118.49 1fi9 h GLU 4 Ca 0.21 0.05 0.09 0.00 0.34 0.00 0.00 59.36 60.05 1fi9 h GLU 4 Cb 0.39 0.18 -0.07 0.00 -0.10 0.00 0.00 28.75 29.15 1fi9 h GLU 4 CO 0.00 -0.49 0.24 0.87 -1.16 0.00 0.00 179.01 178.47 1fi9 h LYS 5 N -1.15 0.42 -0.68 2.33 1.57 -1.93 -1.21 116.57 115.92 1fi9 h LYS 5 Ca -0.08 -0.03 0.14 0.00 -1.87 0.00 0.00 60.65 58.82 1fi9 h LYS 5 Cb 0.66 -0.10 -0.11 0.00 0.08 0.00 0.00 32.23 32.77 1fi9 h LYS 5 CO 0.14 0.28 0.08 0.78 -0.57 0.00 0.00 179.45 180.16 1fi9 h GLY 6 N 0.43 0.83 0.96 3.86 0.00 -0.56 0.30 103.07 108.89 1fi9 h GLY 6 Ca 0.30 0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.64 1fi9 h GLY 6 CO -0.28 -0.20 -0.17 1.70 0.00 0.00 0.00 176.54 177.59 1fi9 h LYS 7 N 0.19 -0.43 -0.50 4.80 3.64 0.60 0.32 116.57 125.18 1fi9 h LYS 7 Ca 0.37 0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.71 1fi9 h LYS 7 Cb 0.62 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.52 1fi9 h LYS 7 CO -0.53 -0.29 0.05 0.87 -2.27 0.00 0.00 179.45 177.29 1fi9 h LYS 8 N -0.45 0.84 0.09 1.90 1.79 -0.30 -2.31 116.57 118.13 1fi9 h LYS 8 Ca -0.04 -0.24 0.02 0.00 -2.18 0.00 0.00 60.65 58.21 1fi9 h LYS 8 Cb 0.36 -0.09 -0.04 0.00 -1.58 0.00 0.00 32.23 30.88 1fi9 h LYS 8 CO 0.05 0.86 -0.27 0.82 -1.08 0.00 0.00 179.45 179.83 1fi9 h ILE 9 N 0.72 0.41 -0.81 1.86 2.04 -0.29 0.28 117.51 121.71 1fi9 h ILE 9 Ca 0.15 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.20 1fi9 h ILE 9 Cb 0.44 0.41 -0.14 0.00 -0.74 0.00 0.00 36.82 36.79 1fi9 h ILE 9 CO 0.02 0.00 0.02 0.15 0.00 0.00 0.00 178.15 178.33 1fi9 h PHE 10 N -0.46 -0.04 0.00 1.37 3.57 -0.73 0.47 116.94 121.13 1fi9 h PHE 10 Ca 0.04 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.60 1fi9 h PHE 10 Cb 0.50 0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.39 1fi9 h PHE 10 CO -0.26 -0.28 0.00 0.28 -2.23 0.00 0.00 178.31 175.83 1fi9 h VAL 11 N 0.09 0.00 0.00 1.41 2.07 -0.63 0.97 116.25 120.17 1fi9 h VAL 11 Ca 0.45 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1fi9 h VAL 11 Cb 0.83 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 1fi9 h VAL 11 CO -0.72 0.00 -1.33 0.00 0.02 0.00 0.00 177.57 175.54 1fi9 n GLN 12 N -2.72 0.74 -0.06 1.57 1.13 0.84 -4.46 117.38 114.42 1fi9 n GLN 12 Ca 0.03 -0.08 -0.11 0.00 -1.94 0.00 0.00 57.00 54.90 1fi9 n GLN 12 Cb 0.37 -1.41 -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 -1.77 0.25 -0.02 -1.09 4.76 0.13 -4.98 118.16 115.45 1fi9 n LYS 13 Ca 0.00 0.09 -0.03 0.00 -2.87 0.00 0.00 58.31 55.51 1fi9 n LYS 13 Cb 0.38 -0.99 -0.01 0.00 -1.84 0.00 0.00 35.03 32.57 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 -3.45 0.00 -1.10 0.00 0.00 -0.17 -2.45 120.51 113.34 1fi9 n ALA 15 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.09 1fi9 n ALA 15 Cb 0.18 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.59 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 2.98 0.04 0.00 6.02 -1.26 -3.11 117.38 122.05 1fi9 n GLN 16 Ca 0.00 -1.79 0.00 0.00 -0.01 0.00 0.00 57.00 55.20 1fi9 n GLN 16 Cb 0.00 -2.57 0.00 0.00 1.02 0.00 0.00 30.24 28.69 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 -2.00 2.94 -0.13 0.00 3.76 -1.18 -3.99 115.29 114.69 1fi9 s HIS 18 Ca 0.00 -0.01 0.01 0.00 -0.15 0.00 0.00 55.06 54.91 1fi9 s HIS 18 Cb 0.00 -1.62 -0.08 0.00 1.11 0.00 0.00 32.58 31.99 1fi9 s HIS 18 CO 0.00 0.40 -0.11 2.41 -0.85 0.00 0.00 174.74 176.59 1fi9 n THR 19 N 1.47 0.73 -1.62 1.30 -1.04 -1.26 -4.02 114.28 109.83 1fi9 n THR 19 Ca -0.15 -0.27 -0.21 0.00 -2.04 0.00 0.00 64.05 61.38 1fi9 n THR 19 Cb 0.53 -0.97 -0.09 0.00 -1.82 0.00 0.00 70.33 67.98 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 -2.89 -0.02 -3.95 12.58 0.24 -1.26 -4.88 118.33 118.14 1fi9 n VAL 20 Ca -0.23 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 61.99 1fi9 n VAL 20 Cb 0.74 -2.01 -0.09 0.00 -1.47 0.00 0.00 33.84 31.00 1fi9 n VAL 20 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1fi9 s GLU 21 N -3.80 0.66 0.00 7.34 0.41 -1.26 -3.41 118.70 118.63 1fi9 s GLU 21 Ca 0.00 -0.92 0.00 0.00 -0.41 0.00 0.00 54.97 53.64 1fi9 s GLU 21 Cb 0.00 0.25 0.00 0.00 -1.78 0.00 0.00 34.13 32.60 1fi9 s GLU 21 CO 0.00 -0.17 0.81 1.17 -0.49 0.00 0.00 175.26 176.58 1fi9 n LYS 22 N 0.40 0.00 0.00 1.61 0.00 -1.26 -0.97 118.16 117.94 1fi9 n LYS 22 Ca -0.17 0.32 0.13 0.00 0.00 0.00 0.00 58.31 58.59 1fi9 n LYS 22 Cb 0.60 -1.51 0.44 0.00 0.00 0.00 0.00 35.03 34.56 1fi9 n LYS 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1fi9 n GLY 23 N -1.31 -1.22 3.61 3.14 0.00 -1.26 -4.99 105.19 103.15 1fi9 n GLY 23 Ca 0.00 -0.26 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 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 1.45 -0.30 3.79 -0.02 0.00 -0.14 -5.02 105.19 104.94 1fi9 n GLY 24 Ca 0.08 0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 1fi9 n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fi9 s LYS 25 N -2.33 2.20 -0.01 1.61 1.02 -1.26 -4.93 119.74 116.03 1fi9 s LYS 25 Ca 0.68 -2.17 0.01 0.00 0.02 0.00 0.00 55.97 54.51 1fi9 s LYS 25 Cb -0.49 -1.78 0.04 0.00 -0.52 0.00 0.00 37.83 35.08 1fi9 s LYS 25 CO 0.53 -0.37 0.84 0.72 -0.92 0.00 0.00 175.35 176.15 1fi9 n HIS 26 N -1.38 0.08 -1.00 3.18 8.25 -1.26 -4.53 115.22 118.56 1fi9 n HIS 26 Ca -0.10 -0.03 -0.29 0.00 -0.26 0.00 0.00 57.72 57.04 1fi9 n HIS 26 Cb 0.66 -0.05 0.19 0.00 1.12 0.00 0.00 29.99 31.90 1fi9 n HIS 26 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1fi9 s LYS 27 N -1.59 0.31 0.45 -0.41 1.02 -1.26 -4.95 119.74 113.31 1fi9 s LYS 27 Ca 0.03 0.72 -0.23 0.00 0.02 0.00 0.00 55.97 56.51 1fi9 s LYS 27 Cb 0.02 -1.71 -0.10 0.00 -0.52 0.00 0.00 37.83 35.52 1fi9 s LYS 27 CO 0.01 -2.86 0.83 2.41 -0.92 0.00 0.00 175.35 174.82 1fi9 n THR 28 N -4.30 2.38 -1.04 2.17 -1.04 -1.26 -4.47 114.28 106.71 1fi9 n THR 28 Ca 0.05 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.56 1fi9 n THR 28 Cb 0.56 -0.93 0.00 0.00 -1.82 0.00 0.00 70.33 68.13 1fi9 n THR 28 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1fi9 n GLY 29 N 1.42 -2.95 3.78 3.41 0.00 -1.26 -4.26 105.19 105.34 1fi9 n GLY 29 Ca 0.11 -0.56 -0.33 0.00 0.00 0.00 0.00 46.02 45.24 1fi9 n GLY 29 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1fi9 s PRO 30 N -1.98 3.07 -0.44 1.61 0.04 -1.26 -4.52 135.00 131.51 1fi9 s PRO 30 Ca 0.00 1.34 -0.27 0.00 0.04 0.00 0.00 61.00 62.11 1fi9 s PRO 30 Cb 0.00 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.50 1fi9 s PRO 30 CO 0.00 -1.03 2.19 1.21 0.04 0.00 0.00 177.00 179.41 1fi9 s ASN 31 N -2.57 4.96 0.00 6.66 2.47 -1.26 -4.52 114.94 120.68 1fi9 s ASN 31 Ca 0.66 1.11 0.00 0.00 0.42 0.00 0.00 52.86 55.05 1fi9 s ASN 31 Cb -0.19 -2.51 0.00 0.00 -1.45 0.00 0.00 41.25 37.10 1fi9 s ASN 31 CO 0.38 -2.47 1.52 0.18 -3.72 0.00 0.00 177.10 172.99 1fi9 n LEU 32 N 13.84 4.19 -3.40 3.21 4.77 -1.26 -4.68 117.00 133.66 1fi9 n LEU 32 Ca 0.31 -1.94 -0.36 0.00 -0.03 0.00 0.00 56.01 53.99 1fi9 n LEU 32 Cb 0.51 -0.84 -0.02 0.00 -2.33 0.00 0.00 43.42 40.74 1fi9 n LEU 32 CO 0.70 0.77 2.83 1.57 -1.33 0.00 0.00 177.39 181.92 1fi9 n HIS 33 N 1.15 2.32 0.00 -1.77 -0.00 -1.26 -2.78 115.22 112.87 1fi9 n HIS 33 Ca 0.00 -2.62 0.00 0.00 0.46 0.00 0.00 57.72 55.56 1fi9 n HIS 33 Cb 0.47 -2.20 0.00 0.00 -0.12 0.00 0.00 29.99 28.14 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 3.86 0.00 0.48 1.57 0.00 -0.51 -4.94 105.19 105.65 1fi9 n GLY 34 Ca 0.61 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.43 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 -1.07 -5.83 0.99 5.85 -1.72 -3.25 115.31 110.28 1fi9 h LEU 35 Ca 0.00 0.05 -0.67 0.00 0.84 0.00 0.00 57.88 58.10 1fi9 h LEU 35 Cb 0.00 0.30 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 1fi9 h LEU 35 CO 0.00 -0.71 3.12 0.49 -0.34 0.00 0.00 178.44 181.00 1fi9 n PHE 36 N -5.60 2.89 0.00 1.25 3.72 -1.26 -3.76 117.46 114.70 1fi9 n PHE 36 Ca -0.15 -2.75 0.00 0.00 -0.05 0.00 0.00 57.45 54.50 1fi9 n PHE 36 Cb 0.47 -2.35 0.00 0.00 -0.94 0.00 0.00 39.48 36.66 1fi9 n PHE 36 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1fi9 n GLY 37 N 4.04 -0.74 2.02 1.37 0.00 -1.23 -5.04 105.19 105.61 1fi9 n GLY 37 Ca 0.57 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.62 1fi9 n GLY 37 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1fi9 n ARG 38 N 0.00 0.00 0.00 1.61 3.00 -1.25 -5.01 116.66 115.02 1fi9 n ARG 38 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1fi9 n ARG 38 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1fi9 n ARG 38 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1fi9 n LYS 39 N -2.66 0.00 -0.85 -0.14 4.01 -1.26 -4.96 118.16 112.31 1fi9 n LYS 39 Ca 0.00 0.00 -0.29 0.00 -0.51 0.00 0.00 58.31 57.51 1fi9 n LYS 39 Cb 0.00 0.00 0.23 0.00 -0.51 0.00 0.00 35.03 34.75 1fi9 n LYS 39 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 1fi9 s THR 40 N -2.84 1.76 -1.48 -0.18 -4.23 -0.08 -4.17 115.64 104.42 1fi9 s THR 40 Ca 0.00 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.39 1fi9 s THR 40 Cb 0.00 -2.31 0.08 0.00 1.34 0.00 0.00 72.50 71.61 1fi9 s THR 40 CO 0.00 0.00 0.79 0.61 -0.54 0.00 0.00 174.62 175.48 1fi9 n GLY 41 N -0.13 -0.49 2.92 3.99 0.00 -1.25 -4.86 105.19 105.36 1fi9 n GLY 41 Ca 0.08 0.15 -0.09 0.00 0.00 0.00 0.00 46.02 46.16 1fi9 n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1fi9 s GLN 42 N -6.37 0.39 0.22 1.61 -1.52 -1.26 -4.91 119.66 107.82 1fi9 s GLN 42 Ca 0.56 0.32 -0.22 0.00 -1.95 0.00 0.00 55.36 54.07 1fi9 s GLN 42 Cb -0.28 -0.35 0.04 0.00 -0.22 0.00 0.00 33.01 32.19 1fi9 s GLN 42 CO 0.69 -0.86 0.73 0.00 -0.25 0.00 0.00 175.29 175.60 1fi9 s ALA 43 N 2.55 -1.39 1.00 6.09 0.00 -1.26 -4.94 121.76 123.82 1fi9 s ALA 43 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.05 1fi9 s ALA 43 Cb -0.14 0.81 0.00 0.00 0.00 0.00 0.00 23.12 23.79 1fi9 s ALA 43 CO -0.24 -0.97 0.00 -0.35 0.00 0.00 0.00 175.76 174.20 1fi9 n PRO 44 N -0.43 0.70 -0.91 0.00 -0.04 -1.26 -4.83 135.00 128.23 1fi9 n PRO 44 Ca -0.07 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.11 1fi9 n PRO 44 Cb 0.61 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.05 1fi9 n PRO 44 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1fi9 n GLY 45 N 3.28 3.41 0.11 0.55 0.00 -1.26 -4.18 105.19 107.10 1fi9 n GLY 45 Ca 0.00 -1.03 -0.15 0.00 0.00 0.00 0.00 46.02 44.83 1fi9 n GLY 45 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1fi9 n PHE 46 N 4.17 1.01 -1.86 1.61 7.35 -1.26 -5.08 117.46 123.41 1fi9 n PHE 46 Ca 0.53 0.28 -0.00 0.00 -0.76 0.00 0.00 57.45 57.50 1fi9 n PHE 46 Cb 0.17 -1.16 0.00 0.00 0.35 0.00 0.00 39.48 38.84 1fi9 n PHE 46 CO 0.00 0.00 0.00 2.41 -0.76 0.00 0.00 176.76 178.41 1fi9 n THR 47 N -3.25 -4.91 -3.57 -2.13 -1.04 -1.26 -5.10 114.28 93.03 1fi9 n THR 47 Ca -0.27 0.51 -0.20 0.00 -2.04 0.00 0.00 64.05 62.06 1fi9 n THR 47 Cb 1.05 -4.87 -0.01 0.00 -1.82 0.00 0.00 70.33 64.68 1fi9 n THR 47 CO 0.00 0.00 0.00 -0.72 -0.64 0.00 0.00 175.07 173.71 1fi9 s TYR 48 N -0.59 3.05 0.20 -1.42 -0.85 -1.26 -5.10 117.35 111.37 1fi9 s TYR 48 Ca 0.01 -0.25 -0.30 0.00 -0.52 0.00 0.00 57.07 56.01 1fi9 s TYR 48 Cb -0.00 -1.94 -0.08 0.00 0.38 0.00 0.00 41.96 40.32 1fi9 s TYR 48 CO 0.23 0.04 1.09 -0.08 -1.52 0.00 0.00 175.55 175.31 1fi9 s THR 49 N -2.22 3.83 0.56 -3.49 -1.32 -1.26 -4.93 115.64 106.81 1fi9 s THR 49 Ca 0.44 1.63 0.39 0.00 -1.21 0.00 0.00 61.69 62.95 1fi9 s THR 49 Cb -0.08 -4.04 0.58 0.00 -1.51 0.00 0.00 72.50 67.45 1fi9 s THR 49 CO 0.30 0.31 1.70 0.44 -2.21 0.00 0.00 174.62 175.15 1fi9 h ASP 50 N 4.84 0.00 -0.73 8.08 5.19 -1.99 0.02 116.42 131.84 1fi9 h ASP 50 Ca -0.45 0.00 0.12 0.00 -0.62 0.00 0.00 57.03 56.08 1fi9 h ASP 50 Cb 1.21 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.67 1fi9 h ASP 50 CO 0.71 0.00 0.48 0.00 -3.12 0.00 0.00 179.24 177.31 1fi9 h ALA 51 N 1.21 1.95 -0.21 3.45 0.00 -1.92 0.06 119.26 123.80 1fi9 h ALA 51 Ca 0.64 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.44 1fi9 h ALA 51 Cb 2.70 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 20.39 1fi9 h ALA 51 CO -0.01 -0.12 -0.29 -2.95 0.00 0.00 0.00 179.25 175.88 1fi9 h ASN 52 N 0.53 0.61 -0.92 0.00 -1.07 -1.34 -2.95 115.58 110.45 1fi9 h ASN 52 Ca 0.35 -0.51 0.09 0.00 0.07 0.00 0.00 56.30 56.30 1fi9 h ASN 52 Cb 0.62 -0.17 -0.07 0.00 -2.07 0.00 0.00 38.32 36.62 1fi9 h ASN 52 CO -0.12 1.01 0.56 0.50 0.07 0.00 0.00 177.43 179.45 1fi9 h LYS 53 N 0.24 0.92 0.00 4.14 3.64 -1.43 -0.20 116.57 123.87 1fi9 h LYS 53 Ca 0.02 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1fi9 h LYS 53 Cb 0.87 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 1fi9 h LYS 53 CO 0.07 0.61 0.00 -1.71 -2.27 0.00 0.00 179.45 176.15 1fi9 n ASN 54 N -4.65 0.64 0.04 4.20 2.85 -0.08 -3.27 115.26 115.00 1fi9 n ASN 54 Ca 0.15 0.72 -0.12 0.00 -0.11 0.00 0.00 54.58 55.23 1fi9 n ASN 54 Cb 0.27 -0.83 -0.09 0.00 1.24 0.00 0.00 39.78 40.37 1fi9 n ASN 54 CO 0.00 0.00 0.00 0.50 -2.11 0.00 0.00 177.26 175.65 1fi9 h LYS 55 N 0.00 -0.16 -4.58 1.20 3.64 -0.89 -3.49 116.57 112.29 1fi9 h LYS 55 Ca 0.00 0.01 -0.17 0.00 -1.27 0.00 0.00 60.65 59.22 1fi9 h LYS 55 Cb 0.18 0.04 0.13 0.00 -0.41 0.00 0.00 32.23 32.17 1fi9 h LYS 55 CO 0.00 0.29 -0.56 0.41 -2.27 0.00 0.00 179.45 177.33 1fi9 n GLY 56 N 0.34 -0.40 3.13 5.01 0.00 -1.20 -5.06 105.19 107.00 1fi9 n GLY 56 Ca -0.08 0.24 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 1fi9 n GLY 56 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1fi9 s ILE 57 N -3.25 0.65 -0.25 -0.61 -4.36 -1.26 -4.97 121.20 107.15 1fi9 s ILE 57 Ca 0.26 -1.63 0.21 0.00 -0.26 0.00 0.00 60.65 59.22 1fi9 s ILE 57 Cb -0.03 -1.31 0.06 0.00 1.25 0.00 0.00 42.46 42.43 1fi9 s ILE 57 CO 0.49 -0.69 1.18 0.74 0.24 0.00 0.00 174.94 176.89 1fi9 h THR 58 N 3.51 0.21 -2.54 8.37 2.02 -1.94 -0.19 112.91 122.35 1fi9 h THR 58 Ca -0.36 -1.35 0.03 0.00 0.77 0.00 0.00 66.41 65.51 1fi9 h THR 58 Cb 1.18 1.83 -0.02 0.00 -1.74 0.00 0.00 68.15 69.40 1fi9 h THR 58 CO 0.56 0.12 -0.70 0.79 0.37 0.00 0.00 175.52 176.66 1fi9 n TRP 59 N -2.88 -2.91 0.20 3.16 7.02 -1.26 -3.81 117.44 116.95 1fi9 n TRP 59 Ca -0.01 1.58 0.00 0.00 -1.02 0.00 0.00 57.50 58.05 1fi9 n TRP 59 Cb 0.63 -2.61 0.00 0.00 -2.42 0.00 0.00 31.31 26.91 1fi9 n TRP 59 CO 0.00 0.00 0.00 0.36 -2.02 0.00 0.00 177.69 176.03 1fi9 n LYS 60 N -2.45 0.00 0.00 -0.99 2.85 -1.26 -4.67 118.16 111.64 1fi9 n LYS 60 Ca -0.01 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.25 1fi9 n LYS 60 Cb 0.35 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.73 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 -3.39 0.00 -0.00 -1.58 -0.00 -1.26 -4.99 120.64 109.41 1fi9 n GLU 61 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.16 57.16 1fi9 n GLU 61 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 31.44 31.44 1fi9 n GLU 61 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1fi9 n GLU 62 N 0.00 -0.00 -0.09 3.44 2.13 -1.26 0.64 120.64 125.49 1fi9 n GLU 62 Ca 0.00 0.03 -0.09 0.00 0.66 0.00 0.00 57.16 57.76 1fi9 n GLU 62 Cb 0.00 -0.05 -0.02 0.00 0.27 0.00 0.00 31.44 31.64 1fi9 n GLU 62 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 1fi9 h THR 63 N 0.00 1.14 -0.86 6.31 2.02 -1.98 -2.83 112.91 116.71 1fi9 h THR 63 Ca 0.00 -0.40 0.06 0.00 0.77 0.00 0.00 66.41 66.85 1fi9 h THR 63 Cb 0.00 0.85 -0.06 0.00 -1.74 0.00 0.00 68.15 67.20 1fi9 h THR 63 CO -0.01 0.15 0.54 0.25 0.37 0.00 0.00 175.52 176.81 1fi9 h LEU 64 N 0.37 0.84 -0.57 2.58 6.46 -0.18 0.24 115.31 125.04 1fi9 h LEU 64 Ca 0.11 0.02 0.10 0.00 -0.12 0.00 0.00 57.88 57.98 1fi9 h LEU 64 Cb 0.09 -0.16 -0.08 0.00 -0.73 0.00 0.00 40.66 39.79 1fi9 h LEU 64 CO -0.02 0.53 0.14 0.24 -0.62 0.00 0.00 178.44 178.72 1fi9 h MET 65 N 0.97 0.28 0.08 1.25 2.86 -0.14 0.10 114.93 120.34 1fi9 h MET 65 Ca 0.38 -0.02 -0.26 0.00 -2.06 0.00 0.00 59.70 57.75 1fi9 h MET 65 Cb 0.18 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.78 1fi9 h MET 65 CO -0.18 0.19 -1.13 0.93 1.06 0.00 0.00 176.91 177.78 1fi9 h GLU 66 N 0.29 0.33 -0.14 1.72 5.08 -1.34 -2.98 114.58 117.53 1fi9 h GLU 66 Ca 0.29 -0.46 0.03 0.00 -1.00 0.00 0.00 59.36 58.22 1fi9 h GLU 66 Cb 0.40 0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.77 1fi9 h GLU 66 CO -0.35 1.18 -0.08 -0.92 -1.00 0.00 0.00 179.01 177.84 1fi9 h TYR 67 N 0.13 -0.19 -0.26 4.33 3.20 0.56 0.75 116.97 125.50 1fi9 h TYR 67 Ca -0.12 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.69 1fi9 h TYR 67 Cb 1.82 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 40.18 1fi9 h TYR 67 CO 0.06 -0.12 -0.19 -0.07 -1.64 0.00 0.00 178.16 176.20 1fi9 h LEU 68 N -0.07 0.45 -0.43 2.82 3.38 -0.94 0.26 115.31 120.78 1fi9 h LEU 68 Ca 0.08 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1fi9 h LEU 68 Cb 0.19 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1fi9 h LEU 68 CO -0.19 0.66 0.00 -0.62 0.09 0.00 0.00 178.44 178.38 1fi9 n GLU 69 N -4.17 0.23 -2.71 1.13 1.02 -0.68 -0.96 120.64 114.50 1fi9 n GLU 69 Ca 0.00 0.34 -0.06 0.00 -0.02 0.00 0.00 57.16 57.42 1fi9 n GLU 69 Cb 0.36 -1.86 0.05 0.00 -0.02 0.00 0.00 31.44 29.97 1fi9 n GLU 69 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1fi9 n ASN 70 N -2.29 -2.27 -2.11 1.62 2.85 0.25 -3.29 115.26 110.03 1fi9 n ASN 70 Ca 0.04 -2.52 -0.16 0.00 -0.11 0.00 0.00 54.58 51.82 1fi9 n ASN 70 Cb 0.32 1.33 -0.13 0.00 1.24 0.00 0.00 39.78 42.54 1fi9 n ASN 70 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1fi9 n PRO 71 N 1.81 2.07 0.03 1.20 -0.04 0.82 -3.13 135.00 137.77 1fi9 n PRO 71 Ca 0.07 -1.33 0.00 0.00 -0.04 0.00 0.00 63.50 62.20 1fi9 n PRO 71 Cb 0.65 -2.00 0.00 0.00 -0.04 0.00 0.00 33.50 32.11 1fi9 n PRO 71 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1fi9 n LYS 72 N 2.01 0.00 -0.34 0.54 4.01 -1.26 -4.59 118.16 118.53 1fi9 n LYS 72 Ca 0.43 0.00 0.17 0.00 -0.51 0.00 0.00 58.31 58.40 1fi9 n LYS 72 Cb 0.81 0.00 0.39 0.00 -0.51 0.00 0.00 35.03 35.71 1fi9 n LYS 72 CO 0.00 0.00 0.00 -0.22 -1.11 0.00 0.00 177.40 176.07 1fi9 h LYS 73 N 0.00 0.59 -0.53 1.97 3.11 -1.96 0.20 116.57 119.95 1fi9 h LYS 73 Ca 0.00 -0.04 0.02 0.00 -2.81 0.00 0.00 60.65 57.83 1fi9 h LYS 73 Cb 0.00 -0.13 -0.04 0.00 -1.00 0.00 0.00 32.23 31.06 1fi9 h LYS 73 CO 0.00 0.39 0.32 1.88 -2.81 0.00 0.00 179.45 179.23 1fi9 h TYR 74 N 0.61 0.60 -0.85 1.91 0.05 -1.90 -3.42 116.97 113.96 1fi9 h TYR 74 Ca 0.61 0.02 0.05 0.00 0.05 0.00 0.00 58.73 59.45 1fi9 h TYR 74 Cb 1.15 -0.19 -0.20 0.00 1.01 0.00 0.00 36.73 38.50 1fi9 h TYR 74 CO -0.00 0.34 -0.32 -1.50 -1.05 0.00 0.00 178.16 175.62 1fi9 s ILE 75 N -6.14 -0.85 -1.51 -2.88 1.10 0.57 -5.03 121.20 106.46 1fi9 s ILE 75 Ca -0.13 0.00 -0.11 0.00 -0.51 0.00 0.00 60.65 59.90 1fi9 s ILE 75 Cb 0.13 -0.69 -0.05 0.00 0.15 0.00 0.00 42.46 42.00 1fi9 s ILE 75 CO 0.74 0.00 2.65 -0.81 -2.11 0.00 0.00 174.94 175.42 1fi9 n PRO 76 N 5.16 3.28 -2.46 3.50 -0.04 -0.51 -3.75 135.00 140.17 1fi9 n PRO 76 Ca 0.07 -2.28 -0.03 0.00 -0.04 0.00 0.00 63.50 61.22 1fi9 n PRO 76 Cb 0.55 -2.94 0.00 0.00 -0.04 0.00 0.00 33.50 31.07 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 3.78 -0.54 1.08 0.55 0.00 -1.26 -5.05 105.19 103.76 1fi9 n GLY 77 Ca 0.68 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.67 1fi9 n GLY 77 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1fi9 n THR 78 N -0.48 0.00 -2.97 2.61 -1.04 -1.25 -4.76 114.28 106.39 1fi9 n THR 78 Ca -0.21 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 61.82 1fi9 n THR 78 Cb 0.64 -0.66 -0.00 0.00 -1.82 0.00 0.00 70.33 68.49 1fi9 n THR 78 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 1fi9 s LYS 79 N -0.84 0.44 -0.59 -2.82 -2.85 -1.26 -5.10 119.74 106.72 1fi9 s LYS 79 Ca 0.00 -0.12 -0.27 0.00 -1.00 0.00 0.00 55.97 54.58 1fi9 s LYS 79 Cb 0.00 0.06 0.00 0.00 -2.06 0.00 0.00 37.83 35.83 1fi9 s LYS 79 CO 0.00 -0.65 1.55 1.41 0.10 0.00 0.00 175.35 177.75 1fi9 s MET 80 N 1.97 3.10 0.10 1.78 1.75 -1.26 -4.67 119.30 122.06 1fi9 s MET 80 Ca 0.15 0.45 0.00 0.00 -1.25 0.00 0.00 55.69 55.05 1fi9 s MET 80 Cb -0.00 -4.21 0.00 0.00 2.84 0.00 0.00 34.83 33.46 1fi9 s MET 80 CO -0.12 -2.19 0.00 0.44 -0.65 0.00 0.00 175.02 172.50 1fi9 n ILE 81 N 6.92 0.22 -4.12 10.11 -5.35 -1.26 -5.14 119.36 120.74 1fi9 n ILE 81 Ca 0.14 0.07 -0.15 0.00 -0.27 0.00 0.00 62.75 62.55 1fi9 n ILE 81 Cb 0.50 -0.90 -0.05 0.00 -1.74 0.00 0.00 39.64 37.44 1fi9 n ILE 81 CO 0.00 0.00 0.00 0.72 -1.76 0.00 0.00 176.55 175.51 1fi9 s PHE 82 N -2.00 1.13 0.05 4.28 -0.71 -1.26 -5.18 117.98 114.28 1fi9 s PHE 82 Ca 0.00 -1.31 -0.27 0.00 -1.04 0.00 0.00 56.93 54.31 1fi9 s PHE 82 Cb 0.00 -0.21 0.08 0.00 -1.21 0.00 0.00 43.02 41.68 1fi9 s PHE 82 CO 0.00 -1.03 0.72 0.00 -1.34 0.00 0.00 175.22 173.57 1fi9 s ALA 83 N -3.32 -1.72 -0.10 1.99 0.00 -1.26 -4.68 121.76 112.68 1fi9 s ALA 83 Ca 0.32 0.88 -0.01 0.00 0.00 0.00 0.00 51.96 53.15 1fi9 s ALA 83 Cb 0.01 0.45 0.00 0.00 0.00 0.00 0.00 23.12 23.58 1fi9 s ALA 83 CO 0.20 -0.62 0.11 0.41 0.00 0.00 0.00 175.76 175.85 1fi9 n GLY 84 N 0.03 -0.61 0.00 0.00 0.00 -0.14 -4.95 105.19 99.52 1fi9 n GLY 84 Ca -0.15 0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.83 0.00 0.11 -0.61 2.08 -1.26 -4.70 119.36 114.15 1fi9 n ILE 85 Ca 0.01 1.14 0.00 0.00 0.56 0.00 0.00 62.75 64.46 1fi9 n ILE 85 Cb 0.31 -1.53 0.00 0.00 -0.75 0.00 0.00 39.64 37.67 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 -2.65 0.00 0.15 0.38 5.02 -1.26 -5.05 118.16 114.75 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 -0.01 0.00 0.00 -0.02 0.00 0.00 35.03 35.00 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 -3.23 0.00 0.01 1.97 2.85 -1.26 -5.05 118.16 113.44 1fi9 n LYS 87 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1fi9 n LYS 87 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1fi9 n LYS 87 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 1fi9 n LYS 88 N -3.14 0.00 0.31 -1.58 2.85 -1.26 -4.98 118.16 110.35 1fi9 n LYS 88 Ca 0.00 0.00 -0.16 0.00 -1.05 0.00 0.00 58.31 57.10 1fi9 n LYS 88 Cb 0.00 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.30 1fi9 n LYS 88 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 1fi9 h THR 89 N 0.00 0.00 -0.39 0.58 2.02 -1.98 0.19 112.91 113.33 1fi9 h THR 89 Ca 0.00 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.23 1fi9 h THR 89 Cb 0.00 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.36 1fi9 h THR 89 CO 0.00 0.00 0.11 -0.33 0.37 0.00 0.00 175.52 175.67 1fi9 h GLU 90 N -0.93 0.24 -1.00 6.66 5.08 -1.98 0.19 114.58 122.84 1fi9 h GLU 90 Ca -0.07 -0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.41 1fi9 h GLU 90 Cb 0.78 -0.06 -0.09 0.00 0.50 0.00 0.00 28.75 29.88 1fi9 h GLU 90 CO 0.02 0.16 0.62 -0.09 -1.00 0.00 0.00 179.01 178.72 1fi9 h ARG 91 N 0.25 0.92 0.18 2.33 1.12 -1.85 0.58 114.38 117.91 1fi9 h ARG 91 Ca 0.18 -0.06 -0.24 0.00 -1.11 0.00 0.00 59.98 58.76 1fi9 h ARG 91 Cb 0.19 -0.21 0.03 0.00 -0.01 0.00 0.00 29.97 29.97 1fi9 h ARG 91 CO -0.21 0.61 -1.04 1.49 -3.11 0.00 0.00 179.97 177.70 1fi9 h GLU 92 N 0.94 0.38 -0.60 0.20 4.81 0.13 -2.01 114.58 118.44 1fi9 h GLU 92 Ca 0.51 -0.66 0.12 0.00 -0.13 0.00 0.00 59.36 59.21 1fi9 h GLU 92 Cb 0.56 0.24 -0.10 0.00 0.63 0.00 0.00 28.75 30.09 1fi9 h GLU 92 CO -0.29 1.31 0.02 -0.44 -0.73 0.00 0.00 179.01 178.89 1fi9 h ASP 93 N -0.20 -0.22 -0.35 1.04 3.32 -0.61 -1.02 116.42 118.39 1fi9 h ASP 93 Ca -0.18 0.14 0.06 0.00 0.02 0.00 0.00 57.03 57.07 1fi9 h ASP 93 Cb 1.82 0.24 -0.09 0.00 0.22 0.00 0.00 39.33 41.53 1fi9 h ASP 93 CO 0.19 -0.09 -0.42 0.25 -1.72 0.00 0.00 179.24 177.45 1fi9 h LEU 94 N 0.14 -1.40 -0.80 1.55 6.46 -0.60 0.54 115.31 121.20 1fi9 h LEU 94 Ca 0.31 0.21 0.16 0.00 -0.12 0.00 0.00 57.88 58.44 1fi9 h LEU 94 Cb 0.50 0.60 -0.10 0.00 -0.73 0.00 0.00 40.66 40.93 1fi9 h LEU 94 CO -0.49 -0.38 0.32 0.40 -0.62 0.00 0.00 178.44 177.67 1fi9 h ILE 95 N -0.36 0.61 -0.38 4.05 5.03 -0.62 -1.01 117.51 124.84 1fi9 h ILE 95 Ca 0.13 -0.15 0.08 0.00 -0.12 0.00 0.00 64.86 64.79 1fi9 h ILE 95 Cb 0.59 0.13 -0.07 0.00 -3.03 0.00 0.00 36.82 34.44 1fi9 h ILE 95 CO -0.54 0.08 -0.10 0.00 -0.68 0.00 0.00 178.15 176.91 1fi9 h ALA 96 N 1.59 0.23 0.75 1.87 0.00 0.38 0.11 119.26 124.19 1fi9 h ALA 96 Ca 0.45 0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.47 1fi9 h ALA 96 Cb 0.73 0.30 0.01 0.00 0.00 0.00 0.00 17.79 18.83 1fi9 h ALA 96 CO -0.44 -0.46 -0.36 -0.92 0.00 0.00 0.00 179.25 177.07 1fi9 h TYR 97 N -0.01 -0.93 -0.95 0.00 3.20 -0.74 -3.22 116.97 114.32 1fi9 h TYR 97 Ca 0.18 -0.02 0.19 0.00 3.14 0.00 0.00 58.73 62.22 1fi9 h TYR 97 Cb 0.29 0.31 -0.18 0.00 1.54 0.00 0.00 36.73 38.69 1fi9 h TYR 97 CO -0.35 -0.56 -0.24 -0.07 -1.64 0.00 0.00 178.16 175.30 1fi9 h LEU 98 N -1.13 -0.90 -0.86 2.82 4.07 -0.78 0.17 115.31 118.70 1fi9 h LEU 98 Ca -0.10 0.29 0.14 0.00 0.08 0.00 0.00 57.88 58.29 1fi9 h LEU 98 Cb 0.79 0.60 -0.15 0.00 1.08 0.00 0.00 40.66 42.98 1fi9 h LEU 98 CO 0.17 -0.31 -0.34 0.11 -1.08 0.00 0.00 178.44 176.98 1fi9 h LYS 99 N -0.00 -0.05 -0.01 1.13 1.57 -0.80 0.14 116.57 118.55 1fi9 h LYS 99 Ca 0.45 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 59.17 1fi9 h LYS 99 Cb 0.69 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.02 1fi9 h LYS 99 CO -0.98 -0.03 -0.25 -0.22 -0.57 0.00 0.00 179.45 177.40 1fi9 h LYS 100 N -0.05 0.19 0.52 3.15 1.63 -1.10 -3.29 116.57 117.61 1fi9 h LYS 100 Ca 0.33 -0.19 -0.02 0.00 -0.85 0.00 0.00 60.65 59.92 1fi9 h LYS 100 Cb 0.59 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.28 1fi9 h LYS 100 CO -0.89 0.90 -0.27 0.00 -3.45 0.00 0.00 179.45 175.74 1fi9 h ALA 101 N 0.29 -0.73 0.00 5.00 0.00 0.52 -1.47 119.26 122.88 1fi9 h ALA 101 Ca -0.03 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1fi9 h ALA 101 Cb 0.98 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1fi9 h ALA 101 CO 0.05 -0.92 -0.20 1.79 0.00 0.00 0.00 179.25 179.97 1fi9 h THR 102 N -0.73 0.88 -0.20 0.00 1.35 -0.80 -2.40 112.91 111.01 1fi9 h THR 102 Ca -0.07 -0.76 -0.04 0.00 -0.55 0.00 0.00 66.41 65.00 1fi9 h THR 102 Cb 0.57 1.44 -0.01 0.00 -1.73 0.00 0.00 68.15 68.43 1fi9 h THR 102 CO 0.10 0.20 -0.03 -1.13 -0.25 0.00 0.00 175.52 174.40 1fi9 h ASN 103 N 0.00 0.37 -0.00 5.36 -0.73 -1.42 -1.34 115.58 117.81 1fi9 h ASN 103 Ca -0.00 -0.34 0.00 0.00 1.87 0.00 0.00 56.30 57.83 1fi9 h ASN 103 Cb 0.42 -0.10 0.00 0.00 0.27 0.00 0.00 38.32 38.91 1fi9 h ASN 103 CO 0.03 0.62 0.00 -0.62 -0.37 0.00 0.00 177.43 177.09