#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 6.61 0.17 1.61 -1.08 -1.26 -4.69 116.67 118.03 1fi9 s ASP 2 Ca 0.00 1.87 -0.11 0.00 -0.52 0.00 0.00 52.55 53.79 1fi9 s ASP 2 Cb 0.00 -2.53 0.07 0.00 -1.46 0.00 0.00 42.92 38.99 1fi9 s ASP 2 CO 0.00 -1.02 1.69 0.58 0.52 0.00 0.00 175.17 176.94 1fi9 h VAL 3 N 5.78 1.25 -0.01 1.11 2.07 -1.85 0.19 116.25 124.78 1fi9 h VAL 3 Ca -0.34 -0.88 -0.01 0.00 0.82 0.00 0.00 66.70 66.29 1fi9 h VAL 3 Cb 1.15 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 31.61 1fi9 h VAL 3 CO 0.98 0.33 -0.01 -0.33 0.02 0.00 0.00 177.57 178.55 1fi9 h GLU 4 N 0.86 0.03 -0.43 1.57 4.39 -1.92 0.11 114.58 119.19 1fi9 h GLU 4 Ca 0.19 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.85 1fi9 h GLU 4 Cb 0.33 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 1fi9 h GLU 4 CO -0.00 0.49 0.19 0.87 -1.16 0.00 0.00 179.01 179.40 1fi9 h LYS 5 N -0.43 0.63 -0.80 2.33 1.57 -1.92 -2.73 116.57 115.22 1fi9 h LYS 5 Ca 0.00 -0.10 0.19 0.00 -1.87 0.00 0.00 60.65 58.87 1fi9 h LYS 5 Cb 0.49 -0.11 -0.13 0.00 0.08 0.00 0.00 32.23 32.56 1fi9 h LYS 5 CO 0.00 0.56 0.17 0.78 -0.57 0.00 0.00 179.45 180.39 1fi9 h GLY 6 N 0.55 1.12 0.76 3.86 0.00 -0.49 0.23 103.07 109.10 1fi9 h GLY 6 Ca 0.15 -0.01 0.01 0.00 0.00 0.00 0.00 47.33 47.48 1fi9 h GLY 6 CO -0.02 -0.28 -0.14 1.70 0.00 0.00 0.00 176.54 177.81 1fi9 h LYS 7 N 0.22 -0.27 -0.19 4.80 3.64 -0.55 0.12 116.57 124.35 1fi9 h LYS 7 Ca 0.47 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.85 1fi9 h LYS 7 Cb 0.86 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.73 1fi9 h LYS 7 CO -0.59 -0.18 0.04 0.87 -2.27 0.00 0.00 179.45 177.32 1fi9 h LYS 8 N -0.28 0.30 -0.08 1.90 6.56 -0.88 -2.21 116.57 121.89 1fi9 h LYS 8 Ca 0.02 -0.08 0.04 0.00 -1.06 0.00 0.00 60.65 59.58 1fi9 h LYS 8 Cb 0.29 -0.04 -0.06 0.00 -0.57 0.00 0.00 32.23 31.86 1fi9 h LYS 8 CO -0.08 0.45 -0.30 0.82 -2.06 0.00 0.00 179.45 178.27 1fi9 h ILE 9 N 0.11 0.32 -0.73 1.86 2.04 -0.37 0.42 117.51 121.16 1fi9 h ILE 9 Ca 0.06 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.08 1fi9 h ILE 9 Cb 0.28 0.32 -0.13 0.00 -0.74 0.00 0.00 36.82 36.55 1fi9 h ILE 9 CO 0.00 0.00 -0.04 0.15 0.00 0.00 0.00 178.15 178.26 1fi9 h PHE 10 N -0.41 -0.13 0.00 1.37 3.57 -0.85 0.28 116.94 120.77 1fi9 h PHE 10 Ca 0.08 0.06 -0.05 0.00 3.53 0.00 0.00 57.97 61.59 1fi9 h PHE 10 Cb 0.53 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.44 1fi9 h PHE 10 CO -0.37 -0.25 -0.22 0.28 -2.23 0.00 0.00 178.31 175.52 1fi9 h VAL 11 N 0.08 0.57 -0.00 1.41 2.07 -0.48 0.11 116.25 120.00 1fi9 h VAL 11 Ca 0.39 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 66.81 1fi9 h VAL 11 Cb 0.66 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 32.17 1fi9 h VAL 11 CO -0.67 0.22 -0.73 0.00 0.02 0.00 0.00 177.57 176.41 1fi9 n GLN 12 N -3.42 0.26 -0.01 1.57 1.13 0.13 -4.44 117.38 112.61 1fi9 n GLN 12 Ca -0.00 -0.20 -0.02 0.00 -1.94 0.00 0.00 57.00 54.84 1fi9 n GLN 12 Cb 0.42 -1.50 -0.01 0.00 0.11 0.00 0.00 30.24 29.26 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 -1.20 0.06 0.00 -1.09 4.76 0.71 -5.01 118.16 116.39 1fi9 n LYS 13 Ca 0.06 0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.52 1fi9 n LYS 13 Cb 0.35 -0.71 0.00 0.00 -1.84 0.00 0.00 35.03 32.84 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 -2.30 0.00 -1.03 0.00 0.00 -0.53 -3.44 120.51 113.21 1fi9 n ALA 15 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 1fi9 n ALA 15 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 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 2.22 0.00 0.00 6.02 -1.26 -3.09 117.38 121.27 1fi9 n GLN 16 Ca 0.00 -1.16 0.00 0.00 -0.01 0.00 0.00 57.00 55.83 1fi9 n GLN 16 Cb 0.00 -2.11 0.00 0.00 1.02 0.00 0.00 30.24 29.15 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 -1.43 2.79 -0.04 0.00 3.76 -1.18 -2.17 115.29 117.02 1fi9 s HIS 18 Ca 0.00 -0.17 -0.01 0.00 -0.15 0.00 0.00 55.06 54.73 1fi9 s HIS 18 Cb 0.00 -1.32 -0.02 0.00 1.11 0.00 0.00 32.58 32.35 1fi9 s HIS 18 CO 0.00 0.54 -0.05 2.41 -0.85 0.00 0.00 174.74 176.79 1fi9 n THR 19 N -0.35 0.25 -3.90 1.30 -1.04 -1.26 -4.38 114.28 104.90 1fi9 n THR 19 Ca -0.09 -0.08 -0.29 0.00 -2.04 0.00 0.00 64.05 61.55 1fi9 n THR 19 Cb 0.56 -1.16 0.02 0.00 -1.82 0.00 0.00 70.33 67.93 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 -2.95 -2.39 -3.77 12.58 0.24 -1.26 -4.91 118.33 115.87 1fi9 n VAL 20 Ca -0.08 -0.10 -0.08 0.00 -2.04 0.00 0.00 64.34 62.03 1fi9 n VAL 20 Cb 0.57 -2.93 -0.02 0.00 -1.47 0.00 0.00 33.84 29.99 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 -6.54 1.62 0.20 7.34 -1.05 -1.26 -3.59 118.70 115.43 1fi9 s GLU 21 Ca 0.55 -0.89 -0.30 0.00 -0.15 0.00 0.00 54.97 54.18 1fi9 s GLU 21 Cb -0.27 0.59 -0.08 0.00 -0.44 0.00 0.00 34.13 33.92 1fi9 s GLU 21 CO 0.83 -0.73 1.22 0.21 0.95 0.00 0.00 175.26 177.75 1fi9 s LYS 22 N -3.89 4.47 0.00 -4.83 2.36 -1.26 -1.70 119.74 114.89 1fi9 s LYS 22 Ca 0.10 1.93 0.00 0.00 -2.55 0.00 0.00 55.97 55.45 1fi9 s LYS 22 Cb -0.04 -3.22 0.00 0.00 -1.05 0.00 0.00 37.83 33.52 1fi9 s LYS 22 CO 0.02 -0.11 0.00 0.41 1.55 0.00 0.00 175.35 177.22 1fi9 n GLY 23 N 2.08 0.90 3.68 5.54 0.00 -1.26 -5.01 105.19 111.13 1fi9 n GLY 23 Ca 0.04 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.12 1.60 3.78 -0.02 0.00 -0.69 -4.96 105.19 102.78 1fi9 n GLY 24 Ca 0.00 0.79 -0.30 0.00 0.00 0.00 0.00 46.02 46.51 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 3.44 1.76 0.03 1.61 1.02 -1.26 -4.64 119.74 121.70 1fi9 s LYS 25 Ca 0.87 0.67 -0.25 0.00 0.02 0.00 0.00 55.97 57.27 1fi9 s LYS 25 Cb -0.56 -1.88 -0.14 0.00 -0.52 0.00 0.00 37.83 34.73 1fi9 s LYS 25 CO 0.43 -1.85 1.21 0.45 -0.92 0.00 0.00 175.35 174.67 1fi9 h HIS 26 N -1.26 -0.85 0.00 3.18 3.86 -1.93 -3.34 115.15 114.82 1fi9 h HIS 26 Ca -0.48 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 58.71 1fi9 h HIS 26 Cb 1.28 0.28 0.00 0.00 1.06 0.00 0.00 27.41 30.03 1fi9 h HIS 26 CO 0.44 -0.53 0.00 1.63 0.86 0.00 0.00 177.93 180.33 1fi9 n LYS 27 N -4.86 0.00 -0.01 2.45 5.02 -1.26 -3.94 118.16 115.56 1fi9 n LYS 27 Ca -0.11 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.17 1fi9 n LYS 27 Cb 0.36 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.37 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 -2.92 -0.18 2.02 -1.93 -3.44 112.91 106.47 1fi9 h THR 28 Ca 0.00 -0.48 -0.55 0.00 0.77 0.00 0.00 66.41 66.15 1fi9 h THR 28 Cb 0.00 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.39 1fi9 h THR 28 CO 0.00 0.00 0.85 -0.83 0.37 0.00 0.00 175.52 175.91 1fi9 s GLY 29 N -2.71 1.82 0.47 2.16 0.00 -0.92 -4.97 107.32 103.16 1fi9 s GLY 29 Ca -0.01 0.70 -0.25 0.00 0.00 0.00 0.00 44.72 45.17 1fi9 s GLY 29 CO 0.02 2.50 1.42 2.56 0.00 0.00 0.00 173.10 179.60 1fi9 s PRO 30 N 2.87 3.59 -0.50 2.90 0.04 -1.25 -4.45 135.00 138.18 1fi9 s PRO 30 Ca 0.60 2.39 -0.27 0.00 0.04 0.00 0.00 61.00 63.77 1fi9 s PRO 30 Cb -0.27 -2.59 -0.08 0.00 0.04 0.00 0.00 34.50 31.60 1fi9 s PRO 30 CO 0.22 -0.89 2.42 -1.71 0.04 0.00 0.00 177.00 177.08 1fi9 n ASN 31 N -0.34 2.23 -1.67 6.66 5.15 -1.25 -4.44 115.26 121.60 1fi9 n ASN 31 Ca 0.06 -0.34 -0.03 0.00 -0.60 0.00 0.00 54.58 53.67 1fi9 n ASN 31 Cb 0.42 -1.51 -0.04 0.00 -0.53 0.00 0.00 39.78 38.12 1fi9 n ASN 31 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1fi9 n LEU 32 N 14.79 4.91 -1.89 1.20 4.77 -1.26 -4.65 117.00 134.87 1fi9 n LEU 32 Ca 0.39 -2.43 -0.09 0.00 -0.03 0.00 0.00 56.01 53.86 1fi9 n LEU 32 Cb 0.48 -1.11 -0.13 0.00 -2.33 0.00 0.00 43.42 40.33 1fi9 n LEU 32 CO 0.73 1.09 1.45 1.57 -1.33 0.00 0.00 177.39 180.90 1fi9 n HIS 33 N 1.80 0.00 0.00 -1.77 -0.00 -1.26 -2.62 115.22 111.38 1fi9 n HIS 33 Ca 0.11 -1.35 0.00 0.00 0.46 0.00 0.00 57.72 56.93 1fi9 n HIS 33 Cb 0.57 -1.32 0.00 0.00 -0.12 0.00 0.00 29.99 29.12 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 2.27 0.00 0.17 1.57 0.00 -1.17 -4.82 105.19 103.21 1fi9 n GLY 34 Ca 0.32 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.29 -9.52 0.99 5.85 -1.78 -3.40 115.31 107.17 1fi9 h LEU 35 Ca 0.00 -0.23 -0.53 0.00 0.84 0.00 0.00 57.88 57.96 1fi9 h LEU 35 Cb 0.00 0.07 0.01 0.00 0.37 0.00 0.00 40.66 41.11 1fi9 h LEU 35 CO 0.00 0.12 0.58 -0.36 -0.34 0.00 0.00 178.44 178.44 1fi9 s PHE 36 N -4.40 3.42 0.00 1.25 0.40 -1.24 -3.27 117.98 114.12 1fi9 s PHE 36 Ca -0.14 1.28 0.00 0.00 -0.60 0.00 0.00 56.93 57.47 1fi9 s PHE 36 Cb 0.02 -3.45 0.00 0.00 0.51 0.00 0.00 43.02 40.10 1fi9 s PHE 36 CO 0.54 -1.39 0.00 0.41 0.70 0.00 0.00 175.22 175.48 1fi9 n GLY 37 N 3.08 0.97 3.41 4.36 0.00 -1.26 -4.97 105.19 110.78 1fi9 n GLY 37 Ca 0.08 -0.49 -0.10 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.83 1.22 0.39 1.61 6.06 -1.20 -5.11 118.95 120.09 1fi9 s ARG 38 Ca 0.00 -0.92 -0.02 0.00 -2.50 0.00 0.00 55.73 52.29 1fi9 s ARG 38 Cb 0.00 0.46 -0.04 0.00 0.06 0.00 0.00 34.95 35.43 1fi9 s ARG 38 CO 0.00 -0.49 0.64 0.15 -2.50 0.00 0.00 175.30 173.10 1fi9 s LYS 39 N -3.88 3.52 0.13 5.12 1.02 -1.26 -3.23 119.74 121.15 1fi9 s LYS 39 Ca 0.10 -0.10 -0.27 0.00 0.02 0.00 0.00 55.97 55.71 1fi9 s LYS 39 Cb 0.01 -2.55 -0.04 0.00 -0.52 0.00 0.00 37.83 34.73 1fi9 s LYS 39 CO -0.04 0.02 1.60 1.79 -0.92 0.00 0.00 175.35 177.80 1fi9 h THR 40 N 0.61 0.24 0.00 2.17 1.35 -1.62 -2.24 112.91 113.42 1fi9 h THR 40 Ca -0.49 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 1fi9 h THR 40 Cb 1.21 0.24 0.00 0.00 -1.73 0.00 0.00 68.15 67.87 1fi9 h THR 40 CO 0.62 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.50 1fi9 n GLY 41 N -1.42 1.88 2.21 5.82 0.00 -1.23 -4.16 105.19 108.27 1fi9 n GLY 41 Ca -0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.75 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 0.73 0.87 -3.34 1.61 6.02 -0.84 -4.98 117.38 117.45 1fi9 n GLN 42 Ca 0.00 -3.33 -0.36 0.00 -0.01 0.00 0.00 57.00 53.30 1fi9 n GLN 42 Cb 0.45 -1.37 -0.06 0.00 1.02 0.00 0.00 30.24 30.28 1fi9 n GLN 42 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1fi9 s ALA 43 N -1.52 3.57 -0.72 -1.58 0.00 -1.26 -4.72 121.76 115.54 1fi9 s ALA 43 Ca 0.36 -0.10 -0.26 0.00 0.00 0.00 0.00 51.96 51.96 1fi9 s ALA 43 Cb 0.21 -2.55 0.01 0.00 0.00 0.00 0.00 23.12 20.78 1fi9 s ALA 43 CO -0.10 0.44 1.58 -1.25 0.00 0.00 0.00 175.76 176.43 1fi9 s PRO 44 N -1.86 2.94 -1.00 0.00 0.04 -1.26 -4.30 135.00 129.56 1fi9 s PRO 44 Ca 0.37 0.05 -0.11 0.00 0.04 0.00 0.00 61.00 61.35 1fi9 s PRO 44 Cb -0.16 -4.41 -0.02 0.00 0.04 0.00 0.00 34.50 29.96 1fi9 s PRO 44 CO 0.19 -2.48 0.78 0.41 0.04 0.00 0.00 177.00 175.95 1fi9 n GLY 45 N 5.71 -1.12 3.13 0.56 0.00 -1.26 -5.01 105.19 107.20 1fi9 n GLY 45 Ca 0.15 0.51 -0.10 0.00 0.00 0.00 0.00 46.02 46.57 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 -3.30 0.14 -0.28 1.61 5.36 -1.26 -5.09 117.98 115.16 1fi9 s PHE 46 Ca 0.32 -0.38 -0.29 0.00 -0.96 0.00 0.00 56.93 55.62 1fi9 s PHE 46 Cb -0.09 -0.10 -0.01 0.00 -0.34 0.00 0.00 43.02 42.48 1fi9 s PHE 46 CO 0.81 -0.37 1.48 0.99 -1.46 0.00 0.00 175.22 176.68 1fi9 s THR 47 N -2.39 3.88 1.12 0.12 2.01 -1.26 -4.96 115.64 114.16 1fi9 s THR 47 Ca -0.07 0.98 -0.17 0.00 0.31 0.00 0.00 61.69 62.74 1fi9 s THR 47 Cb -0.02 -3.93 0.25 0.00 0.01 0.00 0.00 72.50 68.81 1fi9 s THR 47 CO -0.03 -0.42 1.13 -0.31 -0.69 0.00 0.00 174.62 174.30 1fi9 s TYR 48 N 4.98 1.08 0.04 4.92 1.51 -1.26 -5.09 117.35 123.52 1fi9 s TYR 48 Ca 0.65 0.59 -0.04 0.00 -1.01 0.00 0.00 57.07 57.26 1fi9 s TYR 48 Cb -0.20 -3.49 -0.02 0.00 -0.11 0.00 0.00 41.96 38.14 1fi9 s TYR 48 CO 0.27 -3.45 0.06 0.99 -1.11 0.00 0.00 175.55 172.32 1fi9 s THR 49 N -3.12 0.15 -0.74 -0.71 2.01 -1.26 -5.05 115.64 106.92 1fi9 s THR 49 Ca 0.70 -1.20 -0.06 0.00 0.31 0.00 0.00 61.69 61.43 1fi9 s THR 49 Cb -0.11 -0.95 -0.13 0.00 0.01 0.00 0.00 72.50 71.32 1fi9 s THR 49 CO 0.56 -0.66 2.68 -0.90 -0.69 0.00 0.00 174.62 175.60 1fi9 n ASP 50 N 0.71 5.65 0.18 3.53 5.75 -1.26 -2.33 116.55 128.78 1fi9 n ASP 50 Ca -0.18 -2.36 0.00 0.00 -0.01 0.00 0.00 54.79 52.23 1fi9 n ASP 50 Cb 0.59 -1.22 0.00 0.00 -1.03 0.00 0.00 41.12 39.45 1fi9 n ASP 50 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1fi9 n ALA 51 N 3.38 0.00 -0.24 2.12 0.00 -1.26 -4.84 120.51 119.67 1fi9 n ALA 51 Ca 0.49 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.86 1fi9 n ALA 51 Cb 0.40 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.88 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 1.01 0.51 0.00 -1.07 -1.92 -1.08 115.58 113.03 1fi9 h ASN 52 Ca 0.00 -0.23 0.00 0.00 0.07 0.00 0.00 56.30 56.14 1fi9 h ASN 52 Cb 0.00 -0.27 0.00 0.00 -2.07 0.00 0.00 38.32 35.98 1fi9 h ASN 52 CO 0.00 0.98 0.00 1.17 0.07 0.00 0.00 177.43 179.65 1fi9 n LYS 53 N -4.29 0.00 -0.09 4.14 4.81 -0.98 -2.07 118.16 119.68 1fi9 n LYS 53 Ca 0.04 0.24 0.10 0.00 -0.87 0.00 0.00 58.31 57.82 1fi9 n LYS 53 Cb 0.25 -1.50 0.14 0.00 0.02 0.00 0.00 35.03 33.94 1fi9 n LYS 53 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1fi9 n ASN 54 N -1.50 2.92 -0.03 3.14 2.85 -0.45 -4.70 115.26 117.48 1fi9 n ASN 54 Ca 0.04 -1.87 -0.01 0.00 -0.11 0.00 0.00 54.58 52.63 1fi9 n ASN 54 Cb 0.17 -0.12 -0.00 0.00 1.24 0.00 0.00 39.78 41.07 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 3.77 0.00 -0.03 1.20 3.64 -0.95 -3.49 116.57 120.70 1fi9 h LYS 55 Ca 0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1fi9 h LYS 55 Cb 0.84 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.66 1fi9 h LYS 55 CO 0.00 0.00 -0.01 0.41 -2.27 0.00 0.00 179.45 177.58 1fi9 n GLY 56 N 1.81 0.48 3.97 5.01 0.00 -1.26 -5.04 105.19 110.15 1fi9 n GLY 56 Ca -0.01 -0.48 -0.21 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.99 2.22 -0.12 -0.61 -4.36 -1.26 -4.88 121.20 110.20 1fi9 s ILE 57 Ca 0.00 -1.18 0.00 0.00 -0.26 0.00 0.00 60.65 59.21 1fi9 s ILE 57 Cb 0.00 -2.41 -0.01 0.00 1.25 0.00 0.00 42.46 41.29 1fi9 s ILE 57 CO 0.00 0.00 -0.14 0.42 0.24 0.00 0.00 174.94 175.46 1fi9 s THR 58 N -2.62 2.96 -1.35 8.37 -4.23 -1.26 -1.68 115.64 115.83 1fi9 s THR 58 Ca 0.51 -0.70 -0.12 0.00 -1.18 0.00 0.00 61.69 60.20 1fi9 s THR 58 Cb -0.05 -2.23 0.11 0.00 1.34 0.00 0.00 72.50 71.66 1fi9 s THR 58 CO 0.32 0.53 1.97 0.79 -0.54 0.00 0.00 174.62 177.69 1fi9 n TRP 59 N 3.48 3.51 -2.37 3.99 7.02 -1.20 -4.40 117.44 127.47 1fi9 n TRP 59 Ca -0.18 -2.92 -0.31 0.00 -1.02 0.00 0.00 57.50 53.07 1fi9 n TRP 59 Cb 0.53 -2.28 0.01 0.00 -2.42 0.00 0.00 31.31 27.14 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 5.34 3.30 0.00 -0.99 2.85 -1.26 -3.73 118.16 123.67 1fi9 n LYS 60 Ca 0.45 -4.27 0.00 0.00 -1.05 0.00 0.00 58.31 53.44 1fi9 n LYS 60 Cb 0.39 -2.26 0.00 0.00 -0.65 0.00 0.00 35.03 32.51 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 -0.46 0.00 -0.32 -1.58 -0.00 -1.26 -4.68 120.64 112.33 1fi9 n GLU 61 Ca 0.43 0.00 -0.12 0.00 -0.00 0.00 0.00 57.16 57.47 1fi9 n GLU 61 Cb 0.51 0.00 -0.10 0.00 -0.00 0.00 0.00 31.44 31.85 1fi9 n GLU 61 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 1fi9 h GLU 62 N 0.00 -0.13 -0.52 3.44 4.81 -1.92 0.14 114.58 120.39 1fi9 h GLU 62 Ca 0.00 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1fi9 h GLU 62 Cb 0.00 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 1fi9 h GLU 62 CO 0.00 -0.09 0.25 1.15 -0.73 0.00 0.00 179.01 179.59 1fi9 h THR 63 N -0.14 1.20 -0.50 0.32 2.02 -1.83 -3.04 112.91 110.94 1fi9 h THR 63 Ca 0.13 -0.57 0.08 0.00 0.77 0.00 0.00 66.41 66.82 1fi9 h THR 63 Cb 0.48 0.61 -0.06 0.00 -1.74 0.00 0.00 68.15 67.43 1fi9 h THR 63 CO -0.82 0.22 0.15 -0.07 0.37 0.00 0.00 175.52 175.37 1fi9 h LEU 64 N 0.70 0.11 -1.28 2.58 4.07 -1.22 -0.63 115.31 119.64 1fi9 h LEU 64 Ca 0.18 0.07 0.28 0.00 0.08 0.00 0.00 57.88 58.49 1fi9 h LEU 64 Cb 0.12 0.08 -0.11 0.00 1.08 0.00 0.00 40.66 41.83 1fi9 h LEU 64 CO -0.02 0.09 0.67 0.24 -1.08 0.00 0.00 178.44 178.33 1fi9 h MET 65 N 0.30 0.38 -0.69 1.13 2.86 -0.74 0.22 114.93 118.39 1fi9 h MET 65 Ca 0.24 -0.02 -0.26 0.00 -2.06 0.00 0.00 59.70 57.60 1fi9 h MET 65 Cb 0.29 -0.09 -0.15 0.00 0.06 0.00 0.00 31.60 31.71 1fi9 h MET 65 CO -0.28 0.25 0.28 0.39 1.06 0.00 0.00 176.91 178.61 1fi9 n GLU 66 N -4.70 3.06 0.07 1.72 1.02 -0.29 -4.23 120.64 117.27 1fi9 n GLU 66 Ca 0.27 -3.07 0.00 0.00 -0.02 0.00 0.00 57.16 54.34 1fi9 n GLU 66 Cb 0.91 -2.12 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 1fi9 n GLU 66 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 1fi9 n TYR 67 N -0.55 -1.14 0.27 -0.32 4.19 0.23 -4.58 117.16 115.25 1fi9 n TYR 67 Ca 0.42 0.20 0.16 0.00 3.31 0.00 0.00 57.90 61.99 1fi9 n TYR 67 Cb 1.36 0.50 0.81 0.00 0.49 0.00 0.00 39.34 42.50 1fi9 n TYR 67 CO 0.00 0.00 0.00 -0.07 0.91 0.00 0.00 176.86 177.70 1fi9 h LEU 68 N 0.00 0.00 -2.97 2.98 3.38 -0.95 0.12 115.31 117.87 1fi9 h LEU 68 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1fi9 h LEU 68 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1fi9 h LEU 68 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 178.44 179.74 1fi9 n GLU 69 N -2.63 2.98 -2.67 1.13 2.13 -1.26 -1.17 120.64 119.15 1fi9 n GLU 69 Ca -0.01 -2.37 -0.04 0.00 0.66 0.00 0.00 57.16 55.40 1fi9 n GLU 69 Cb 0.10 -1.48 0.10 0.00 0.27 0.00 0.00 31.44 30.42 1fi9 n GLU 69 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1fi9 n ASN 70 N 0.53 -1.31 0.07 4.31 3.02 0.29 -4.59 115.26 117.58 1fi9 n ASN 70 Ca 0.16 -1.88 -0.13 0.00 -0.03 0.00 0.00 54.58 52.70 1fi9 n ASN 70 Cb 0.59 0.98 -0.08 0.00 -0.61 0.00 0.00 39.78 40.66 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 2.66 -0.13 -1.99 3.52 0.13 -1.42 -3.19 132.00 131.59 1fi9 h PRO 71 Ca -0.27 0.01 -0.20 0.00 -0.87 0.00 0.00 66.00 64.66 1fi9 h PRO 71 Cb 1.21 0.03 -0.07 0.00 0.13 0.00 0.00 31.00 32.29 1fi9 h PRO 71 CO -0.08 0.09 -0.23 0.36 -0.23 0.00 0.00 178.00 177.91 1fi9 n LYS 72 N -5.06 1.91 0.00 0.86 0.00 -1.26 -3.63 118.16 110.98 1fi9 n LYS 72 Ca -0.08 -1.04 0.00 0.00 -0.00 0.00 0.00 58.31 57.19 1fi9 n LYS 72 Cb 0.16 -1.87 0.00 0.00 -0.00 0.00 0.00 35.03 33.31 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 2.13 0.00 0.10 -1.58 0.00 -1.20 -4.86 118.16 112.74 1fi9 n LYS 73 Ca 0.38 0.00 -0.10 0.00 0.00 0.00 0.00 58.31 58.58 1fi9 n LYS 73 Cb 0.81 -0.36 -0.07 0.00 0.00 0.00 0.00 35.03 35.41 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 -0.29 -3.58 5.64 -1.99 -1.66 -3.44 116.97 111.65 1fi9 h TYR 74 Ca 0.00 -0.01 -0.60 0.00 2.00 0.00 0.00 58.73 60.13 1fi9 h TYR 74 Cb 0.00 0.10 -0.38 0.00 2.00 0.00 0.00 36.73 38.44 1fi9 h TYR 74 CO 0.00 0.08 -0.78 0.96 -0.00 0.00 0.00 178.16 178.41 1fi9 s ILE 75 N -3.53 1.39 -1.42 -2.88 -4.36 -1.26 -5.04 121.20 104.10 1fi9 s ILE 75 Ca -0.12 -1.11 -0.12 0.00 -0.26 0.00 0.00 60.65 59.05 1fi9 s ILE 75 Cb 0.01 -1.68 -0.05 0.00 1.25 0.00 0.00 42.46 41.99 1fi9 s ILE 75 CO 0.43 -0.10 2.56 -0.81 0.24 0.00 0.00 174.94 177.25 1fi9 n PRO 76 N 4.73 3.07 0.00 0.37 -0.04 -1.26 -3.87 135.00 138.00 1fi9 n PRO 76 Ca -0.12 -2.20 0.00 0.00 -0.04 0.00 0.00 63.50 61.15 1fi9 n PRO 76 Cb 0.45 -2.91 0.00 0.00 -0.04 0.00 0.00 33.50 31.00 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 3.83 -1.74 1.31 0.55 0.00 -1.26 -5.09 105.19 102.79 1fi9 n GLY 77 Ca 0.64 0.74 0.00 0.00 0.00 0.00 0.00 46.02 47.40 1fi9 n GLY 77 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1fi9 n THR 78 N 0.00 0.53 0.00 2.61 5.66 -1.25 -4.75 114.28 117.08 1fi9 n THR 78 Ca 0.00 0.18 0.00 0.00 -3.05 0.00 0.00 64.05 61.18 1fi9 n THR 78 Cb 0.00 -1.05 0.00 0.00 -1.55 0.00 0.00 70.33 67.73 1fi9 n THR 78 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1fi9 n LYS 79 N -3.11 0.00 -2.78 1.09 2.85 -1.26 -5.11 118.16 109.83 1fi9 n LYS 79 Ca 0.00 0.00 -0.04 0.00 -1.05 0.00 0.00 58.31 57.22 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 0.00 -3.02 -0.05 -1.58 1.56 -1.26 -5.01 117.12 107.76 1fi9 n MET 80 Ca 0.00 2.50 -0.22 0.00 -0.27 0.00 0.00 57.70 59.71 1fi9 n MET 80 Cb 0.00 -5.46 -0.13 0.00 2.15 0.00 0.00 33.22 29.78 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 0.29 1.66 -3.22 1.12 -5.35 -1.26 -5.06 119.36 107.53 1fi9 n ILE 81 Ca 0.05 -0.43 -0.02 0.00 -0.27 0.00 0.00 62.75 62.09 1fi9 n ILE 81 Cb 0.20 -1.81 0.00 0.00 -1.74 0.00 0.00 39.64 36.29 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 -3.82 -1.09 0.07 4.28 1.16 -1.26 -5.10 117.46 111.71 1fi9 n PHE 82 Ca -0.35 -0.30 -0.03 0.00 -1.87 0.00 0.00 57.45 54.90 1fi9 n PHE 82 Cb 0.91 0.13 -0.01 0.00 -1.61 0.00 0.00 39.48 38.90 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 1.91 -0.67 -2.84 1.98 0.00 -1.96 -3.45 119.26 114.22 1fi9 h ALA 83 Ca -0.05 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 54.89 1fi9 h ALA 83 Cb 0.19 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1fi9 h ALA 83 CO 0.06 -0.66 0.32 0.20 0.00 0.00 0.00 179.25 179.18 1fi9 s GLY 84 N -1.65 0.05 0.00 0.00 0.00 -1.26 -3.91 107.32 100.55 1fi9 s GLY 84 Ca -0.03 -0.38 0.00 0.00 0.00 0.00 0.00 44.72 44.32 1fi9 s GLY 84 CO 0.08 0.10 0.67 1.39 0.00 0.00 0.00 173.10 175.34 1fi9 n ILE 85 N -0.51 0.00 0.18 0.90 2.08 -0.32 -4.88 119.36 116.81 1fi9 n ILE 85 Ca -0.06 1.17 0.00 0.00 0.56 0.00 0.00 62.75 64.42 1fi9 n ILE 85 Cb 0.60 -1.80 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 -1.49 0.00 0.00 0.38 5.02 -1.26 -5.05 118.16 115.76 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 -3.48 0.00 -1.38 1.97 0.00 -1.26 -5.05 118.16 108.96 1fi9 n LYS 87 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1fi9 n LYS 87 Cb 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 35.03 35.13 1fi9 n LYS 87 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1fi9 n LYS 88 N 0.00 1.35 0.00 -1.58 0.00 -1.26 -4.61 118.16 112.07 1fi9 n LYS 88 Ca 0.00 -3.01 0.00 0.00 -0.00 0.00 0.00 58.31 55.30 1fi9 n LYS 88 Cb 0.00 -1.16 0.00 0.00 -0.00 0.00 0.00 35.03 33.87 1fi9 n LYS 88 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1fi9 n THR 89 N -0.45 0.00 -0.30 0.58 -1.04 -1.26 -4.74 114.28 107.07 1fi9 n THR 89 Ca 0.17 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.28 1fi9 n THR 89 Cb 0.90 -0.63 0.27 0.00 -1.82 0.00 0.00 70.33 69.05 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 0.47 -0.80 -2.82 3.07 -1.98 0.19 114.58 112.71 1fi9 h GLU 90 Ca 0.00 -0.03 0.11 0.00 -0.50 0.00 0.00 59.36 58.94 1fi9 h GLU 90 Cb 0.00 -0.11 -0.08 0.00 -0.84 0.00 0.00 28.75 27.73 1fi9 h GLU 90 CO 0.00 0.31 0.43 0.07 -1.40 0.00 0.00 179.01 178.42 1fi9 h ARG 91 N 0.48 0.67 -0.43 2.33 -0.00 -1.89 0.17 114.38 115.71 1fi9 h ARG 91 Ca 0.52 -0.04 -0.04 0.00 -0.00 0.00 0.00 59.98 60.42 1fi9 h ARG 91 Cb 0.90 -0.15 -0.02 0.00 -0.00 0.00 0.00 29.97 30.70 1fi9 h ARG 91 CO -0.46 0.45 0.10 1.49 -0.00 0.00 0.00 179.97 181.54 1fi9 h GLU 92 N 0.69 0.69 -0.51 0.08 4.22 -0.93 0.28 114.58 119.10 1fi9 h GLU 92 Ca 0.40 -0.17 0.03 0.00 0.08 0.00 0.00 59.36 59.71 1fi9 h GLU 92 Cb 0.44 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.56 1fi9 h GLU 92 CO -0.28 0.70 0.29 -0.44 -2.18 0.00 0.00 179.01 177.09 1fi9 h ASP 93 N 0.56 0.44 -0.09 1.04 3.32 -0.71 -0.78 116.42 120.21 1fi9 h ASP 93 Ca 0.13 0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.24 1fi9 h ASP 93 Cb 0.32 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 39.74 1fi9 h ASP 93 CO 0.00 0.31 -0.27 0.25 -1.72 0.00 0.00 179.24 177.81 1fi9 h LEU 94 N 0.56 -0.82 -0.64 1.55 6.46 -0.09 -1.48 115.31 120.86 1fi9 h LEU 94 Ca 0.21 0.12 0.13 0.00 -0.12 0.00 0.00 57.88 58.23 1fi9 h LEU 94 Cb 0.07 0.35 -0.11 0.00 -0.73 0.00 0.00 40.66 40.24 1fi9 h LEU 94 CO -0.12 -0.32 -0.03 0.40 -0.62 0.00 0.00 178.44 177.75 1fi9 h ILE 95 N -0.36 0.44 -0.31 4.05 5.03 -0.36 -0.27 117.51 125.74 1fi9 h ILE 95 Ca 0.09 -0.03 0.06 0.00 -0.12 0.00 0.00 64.86 64.86 1fi9 h ILE 95 Cb 0.49 0.35 -0.05 0.00 -3.03 0.00 0.00 36.82 34.57 1fi9 h ILE 95 CO -0.29 0.02 -0.04 0.00 -0.68 0.00 0.00 178.15 177.15 1fi9 h ALA 96 N 1.60 0.24 0.65 1.87 0.00 -0.12 0.13 119.26 123.63 1fi9 h ALA 96 Ca 0.33 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.32 1fi9 h ALA 96 Cb 0.54 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1fi9 h ALA 96 CO -0.57 -0.44 -0.47 -0.92 0.00 0.00 0.00 179.25 176.85 1fi9 h TYR 97 N 0.04 -1.27 -0.91 0.00 3.20 -0.91 -3.21 116.97 113.91 1fi9 h TYR 97 Ca 0.15 -0.00 0.18 0.00 3.14 0.00 0.00 58.73 62.20 1fi9 h TYR 97 Cb 0.22 0.47 -0.17 0.00 1.54 0.00 0.00 36.73 38.78 1fi9 h TYR 97 CO -0.26 -0.67 -0.21 -0.07 -1.64 0.00 0.00 178.16 175.30 1fi9 h LEU 98 N -1.07 -0.82 -0.73 2.82 4.07 -0.32 0.21 115.31 119.47 1fi9 h LEU 98 Ca -0.09 0.27 0.09 0.00 0.08 0.00 0.00 57.88 58.24 1fi9 h LEU 98 Cb 0.88 0.56 -0.12 0.00 1.08 0.00 0.00 40.66 43.06 1fi9 h LEU 98 CO 0.04 -0.30 -0.48 0.11 -1.08 0.00 0.00 178.44 176.73 1fi9 h LYS 99 N 0.00 -0.15 0.04 1.13 1.57 -0.76 0.53 116.57 118.92 1fi9 h LYS 99 Ca 0.44 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.23 1fi9 h LYS 99 Cb 0.68 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.03 1fi9 h LYS 99 CO -0.93 -0.10 -0.02 -0.22 -0.57 0.00 0.00 179.45 177.61 1fi9 h LYS 100 N -0.16 -0.05 0.05 3.15 1.63 -0.95 -3.21 116.57 117.03 1fi9 h LYS 100 Ca 0.19 0.00 0.03 0.00 -0.85 0.00 0.00 60.65 60.02 1fi9 h LYS 100 Cb 0.54 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 32.14 1fi9 h LYS 100 CO -0.79 0.44 -0.27 0.00 -3.45 0.00 0.00 179.45 175.38 1fi9 h ALA 101 N 0.36 -0.40 -0.79 5.00 0.00 -0.06 0.20 119.26 123.57 1fi9 h ALA 101 Ca -0.01 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1fi9 h ALA 101 Cb 0.51 0.45 -0.05 0.00 0.00 0.00 0.00 17.79 18.71 1fi9 h ALA 101 CO 0.01 -0.79 0.52 1.79 0.00 0.00 0.00 179.25 180.78 1fi9 h THR 102 N -0.44 1.10 0.05 0.00 1.35 -0.97 -1.68 112.91 112.31 1fi9 h THR 102 Ca 0.05 -0.32 -0.00 0.00 -0.55 0.00 0.00 66.41 65.59 1fi9 h THR 102 Cb 0.50 0.08 0.00 0.00 -1.73 0.00 0.00 68.15 67.00 1fi9 h THR 102 CO -0.20 0.17 -0.02 -1.13 -0.25 0.00 0.00 175.52 174.09 1fi9 h ASN 103 N 0.93 -0.05 0.00 5.36 -0.73 -1.03 -3.10 115.58 116.96 1fi9 h ASN 103 Ca 0.32 -0.04 0.00 0.00 1.87 0.00 0.00 56.30 58.46 1fi9 h ASN 103 Cb 0.11 0.01 0.00 0.00 0.27 0.00 0.00 38.32 38.71 1fi9 h ASN 103 CO -0.10 -0.00 0.00 -0.62 -0.37 0.00 0.00 177.43 176.34