#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 6.78 0.16 1.61 2.15 -1.26 -4.74 116.67 121.38 1fi9 s ASP 2 Ca 0.00 2.07 -0.08 0.00 0.43 0.00 0.00 52.55 54.97 1fi9 s ASP 2 Cb 0.00 -2.54 0.02 0.00 -0.30 0.00 0.00 42.92 40.10 1fi9 s ASP 2 CO 0.00 -0.84 1.48 0.58 -0.17 0.00 0.00 175.17 176.22 1fi9 h VAL 3 N 5.39 1.29 0.86 1.11 2.07 -1.87 0.17 116.25 125.28 1fi9 h VAL 3 Ca -0.36 -1.66 -0.04 0.00 0.82 0.00 0.00 66.70 65.46 1fi9 h VAL 3 Cb 1.16 1.57 0.01 0.00 -1.52 0.00 0.00 31.29 32.50 1fi9 h VAL 3 CO 0.95 0.54 -0.42 -0.33 0.02 0.00 0.00 177.57 178.33 1fi9 h GLU 4 N 0.62 -1.12 -0.25 1.57 4.39 -1.93 0.15 114.58 118.00 1fi9 h GLU 4 Ca 0.03 0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.81 1fi9 h GLU 4 Cb 1.05 0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 29.94 1fi9 h GLU 4 CO 0.10 -0.74 0.16 0.87 -1.16 0.00 0.00 179.01 178.24 1fi9 h LYS 5 N -1.27 0.34 -0.93 2.33 1.57 -1.94 -2.33 116.57 114.35 1fi9 h LYS 5 Ca -0.12 -0.03 0.24 0.00 -1.87 0.00 0.00 60.65 58.88 1fi9 h LYS 5 Cb 0.90 -0.07 -0.13 0.00 0.08 0.00 0.00 32.23 33.00 1fi9 h LYS 5 CO 0.19 0.25 0.44 0.78 -0.57 0.00 0.00 179.45 180.55 1fi9 h GLY 6 N 0.33 1.66 0.78 3.86 0.00 -0.56 0.33 103.07 109.47 1fi9 h GLY 6 Ca 0.09 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.21 1fi9 h GLY 6 CO -0.02 -0.31 -0.41 1.70 0.00 0.00 0.00 176.54 177.50 1fi9 h LYS 7 N 0.40 -0.94 -0.63 4.80 3.64 -0.18 -1.14 116.57 122.52 1fi9 h LYS 7 Ca 0.60 0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.96 1fi9 h LYS 7 Cb 1.19 0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 33.19 1fi9 h LYS 7 CO -0.55 -0.63 0.08 0.87 -2.27 0.00 0.00 179.45 176.96 1fi9 h LYS 8 N -0.98 1.04 0.04 1.90 1.79 -0.52 -1.92 116.57 117.91 1fi9 h LYS 8 Ca -0.07 -0.28 0.01 0.00 -2.18 0.00 0.00 60.65 58.13 1fi9 h LYS 8 Cb 0.80 -0.12 -0.04 0.00 -1.58 0.00 0.00 32.23 31.29 1fi9 h LYS 8 CO 0.05 0.97 -0.39 0.82 -1.08 0.00 0.00 179.45 179.83 1fi9 h ILE 9 N 0.97 0.00 -0.90 1.86 2.04 -0.31 0.44 117.51 121.62 1fi9 h ILE 9 Ca 0.19 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.25 1fi9 h ILE 9 Cb 0.45 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.41 1fi9 h ILE 9 CO 0.02 0.00 0.44 0.15 0.00 0.00 0.00 178.15 178.75 1fi9 h PHE 10 N -0.51 0.74 0.00 1.37 3.04 -0.97 0.15 116.94 120.77 1fi9 h PHE 10 Ca 0.00 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.99 1fi9 h PHE 10 Cb 0.53 -0.19 0.00 0.00 2.56 0.00 0.00 35.95 38.85 1fi9 h PHE 10 CO -0.45 0.04 0.00 0.28 -2.02 0.00 0.00 178.31 176.16 1fi9 h VAL 11 N 0.50 0.00 -0.01 1.41 2.07 -0.46 0.95 116.25 120.70 1fi9 h VAL 11 Ca 0.54 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1fi9 h VAL 11 Cb 0.97 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 1fi9 h VAL 11 CO -0.47 0.00 -0.37 0.00 0.02 0.00 0.00 177.57 176.75 1fi9 n GLN 12 N -3.01 1.76 -0.04 1.57 1.13 0.14 -4.43 117.38 114.51 1fi9 n GLN 12 Ca 0.02 -0.70 -0.08 0.00 -1.94 0.00 0.00 57.00 54.30 1fi9 n GLN 12 Cb 0.36 -1.25 -0.03 0.00 0.11 0.00 0.00 30.24 29.44 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 -0.28 0.22 0.00 -1.09 4.01 0.26 -5.01 118.16 116.27 1fi9 n LYS 13 Ca 0.06 0.09 0.00 0.00 -0.51 0.00 0.00 58.31 57.95 1fi9 n LYS 13 Cb 0.32 -0.88 0.00 0.00 -0.51 0.00 0.00 35.03 33.96 1fi9 n LYS 13 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1fi9 n ALA 15 N -1.56 0.00 -0.94 0.00 0.00 -0.70 -3.62 120.51 113.69 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 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 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 2.11 0.00 0.00 6.02 -1.26 -2.37 117.38 121.88 1fi9 n GLN 16 Ca 0.00 -1.14 0.00 0.00 -0.01 0.00 0.00 57.00 55.85 1fi9 n GLN 16 Cb 0.00 -2.12 0.00 0.00 1.02 0.00 0.00 30.24 29.14 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 -1.36 1.90 -0.02 0.00 3.76 -1.00 -3.83 115.29 114.75 1fi9 s HIS 18 Ca 0.00 -0.41 -0.00 0.00 -0.15 0.00 0.00 55.06 54.50 1fi9 s HIS 18 Cb 0.00 -1.05 0.02 0.00 1.11 0.00 0.00 32.58 32.66 1fi9 s HIS 18 CO 0.00 0.22 0.03 0.99 -0.85 0.00 0.00 174.74 175.13 1fi9 s THR 19 N -1.11 -0.03 -0.47 1.30 2.01 -1.26 -3.84 115.64 112.24 1fi9 s THR 19 Ca 0.08 0.13 0.07 0.00 0.31 0.00 0.00 61.69 62.28 1fi9 s THR 19 Cb -0.10 -0.07 0.39 0.00 0.01 0.00 0.00 72.50 72.73 1fi9 s THR 19 CO 0.04 0.05 0.99 1.33 -0.69 0.00 0.00 174.62 176.35 1fi9 n VAL 20 N 3.72 2.19 -3.99 3.82 0.24 -1.26 0.78 118.33 123.82 1fi9 n VAL 20 Ca -0.21 -4.90 -0.10 0.00 -2.04 0.00 0.00 64.34 57.09 1fi9 n VAL 20 Cb 0.54 -0.97 -0.07 0.00 -1.47 0.00 0.00 33.84 31.87 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 -3.35 1.31 0.00 7.34 -1.05 -1.26 -4.14 118.70 117.55 1fi9 s GLU 21 Ca 0.45 -1.25 0.00 0.00 -0.15 0.00 0.00 54.97 54.02 1fi9 s GLU 21 Cb 0.36 0.40 0.00 0.00 -0.44 0.00 0.00 34.13 34.45 1fi9 s GLU 21 CO -0.13 -0.50 1.47 0.36 0.95 0.00 0.00 175.26 177.41 1fi9 n LYS 22 N -0.29 0.95 -0.59 -4.83 0.00 -1.26 -2.74 118.16 109.39 1fi9 n LYS 22 Ca -0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.26 1fi9 n LYS 22 Cb 0.63 -1.03 -0.01 0.00 -0.00 0.00 0.00 35.03 34.63 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 1.08 0.83 3.66 2.58 0.00 -1.26 -5.11 105.19 106.97 1fi9 n GLY 23 Ca 0.00 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 1fi9 n GLY 23 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1fi9 s GLY 24 N -0.43 1.63 0.76 -0.02 0.00 -1.11 -5.00 107.32 103.16 1fi9 s GLY 24 Ca 0.01 0.74 -0.13 0.00 0.00 0.00 0.00 44.72 45.35 1fi9 s GLY 24 CO -0.01 2.75 1.04 0.28 0.00 0.00 0.00 173.10 177.16 1fi9 n LYS 25 N 6.66 -0.98 -3.91 2.90 5.02 -1.26 -4.72 118.16 121.87 1fi9 n LYS 25 Ca 0.15 -1.64 -0.35 0.00 -2.02 0.00 0.00 58.31 54.45 1fi9 n LYS 25 Cb 0.44 -1.06 -0.10 0.00 -0.02 0.00 0.00 35.03 34.29 1fi9 n LYS 25 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 1fi9 s HIS 26 N -3.25 3.25 0.00 2.13 -3.43 -1.26 -4.37 115.29 108.36 1fi9 s HIS 26 Ca 0.59 0.06 0.00 0.00 -0.80 0.00 0.00 55.06 54.91 1fi9 s HIS 26 Cb -0.02 -2.13 0.00 0.00 -1.43 0.00 0.00 32.58 29.00 1fi9 s HIS 26 CO 0.41 0.09 0.00 1.63 -2.00 0.00 0.00 174.74 174.87 1fi9 n LYS 27 N 3.82 0.00 0.07 -0.38 5.02 -1.26 -5.06 118.16 120.36 1fi9 n LYS 27 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.13 1fi9 n LYS 27 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.53 1fi9 n LYS 27 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1fi9 n THR 28 N -2.36 0.74 -3.59 -0.18 -1.04 -1.26 -5.09 114.28 101.49 1fi9 n THR 28 Ca 0.00 0.24 -0.20 0.00 -2.04 0.00 0.00 64.05 62.06 1fi9 n THR 28 Cb 0.00 -1.27 -0.02 0.00 -1.82 0.00 0.00 70.33 67.22 1fi9 n THR 28 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1fi9 s GLY 29 N -4.40 1.75 0.74 3.41 0.00 -1.25 -5.11 107.32 102.46 1fi9 s GLY 29 Ca 0.00 -1.60 -0.11 0.00 0.00 0.00 0.00 44.72 43.01 1fi9 s GLY 29 CO 0.00 -1.50 1.08 2.56 0.00 0.00 0.00 173.10 175.24 1fi9 s PRO 30 N -4.10 2.48 -0.17 2.90 0.04 -1.26 -4.84 135.00 130.04 1fi9 s PRO 30 Ca 0.44 1.13 -0.29 0.00 0.04 0.00 0.00 61.00 62.33 1fi9 s PRO 30 Cb -0.07 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.49 1fi9 s PRO 30 CO 0.29 -1.47 2.11 0.54 0.04 0.00 0.00 177.00 178.51 1fi9 s ASN 31 N -3.43 5.74 0.00 6.66 4.22 -1.26 -4.49 114.94 122.38 1fi9 s ASN 31 Ca 0.61 2.00 0.00 0.00 -2.14 0.00 0.00 52.86 53.33 1fi9 s ASN 31 Cb -0.17 -2.52 0.00 0.00 1.28 0.00 0.00 41.25 39.85 1fi9 s ASN 31 CO 0.54 -1.72 1.45 0.18 -2.04 0.00 0.00 177.10 175.51 1fi9 n LEU 32 N 10.58 3.90 -3.73 3.54 4.32 0.23 -4.68 117.00 131.16 1fi9 n LEU 32 Ca 0.27 -1.77 -0.42 0.00 -0.02 0.00 0.00 56.01 54.07 1fi9 n LEU 32 Cb 0.44 -0.82 -0.00 0.00 -1.62 0.00 0.00 43.42 41.43 1fi9 n LEU 32 CO 0.67 0.73 2.45 1.57 -1.22 0.00 0.00 177.39 181.59 1fi9 n HIS 33 N 1.53 3.14 0.00 -1.77 -0.00 -1.24 -3.17 115.22 113.71 1fi9 n HIS 33 Ca 0.00 -2.90 0.00 0.00 0.46 0.00 0.00 57.72 55.28 1fi9 n HIS 33 Cb 0.38 -2.27 0.00 0.00 -0.12 0.00 0.00 29.99 27.98 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 3.40 0.68 0.42 1.57 0.00 -1.11 -4.93 105.19 105.22 1fi9 n GLY 34 Ca 0.50 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.39 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 -1.40 -9.05 0.99 5.85 -1.84 -3.38 115.31 106.48 1fi9 h LEU 35 Ca 0.00 0.17 -0.56 0.00 0.84 0.00 0.00 57.88 58.33 1fi9 h LEU 35 Cb 0.00 0.55 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 1fi9 h LEU 35 CO 0.00 -0.47 1.05 -0.36 -0.34 0.00 0.00 178.44 178.32 1fi9 s PHE 36 N -5.85 2.36 0.00 1.25 0.08 -1.26 -3.72 117.98 110.84 1fi9 s PHE 36 Ca -0.16 0.67 0.00 0.00 0.12 0.00 0.00 56.93 57.56 1fi9 s PHE 36 Cb 0.08 -3.89 0.00 0.00 -0.57 0.00 0.00 43.02 38.64 1fi9 s PHE 36 CO 0.63 -2.49 0.00 0.41 -0.10 0.00 0.00 175.22 173.67 1fi9 n GLY 37 N 4.37 0.88 3.48 4.36 0.00 -1.17 -4.92 105.19 112.20 1fi9 n GLY 37 Ca 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 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 0.24 0.97 0.79 1.61 6.06 -1.24 -5.08 118.95 122.29 1fi9 s ARG 38 Ca 0.00 -0.30 -0.12 0.00 -2.50 0.00 0.00 55.73 52.81 1fi9 s ARG 38 Cb 0.00 0.45 0.06 0.00 0.06 0.00 0.00 34.95 35.52 1fi9 s ARG 38 CO 0.00 -0.41 1.16 0.15 -2.50 0.00 0.00 175.30 173.70 1fi9 s LYS 39 N -3.12 2.17 -0.01 5.12 3.01 -1.26 -2.25 119.74 123.40 1fi9 s LYS 39 Ca 0.03 0.19 -0.04 0.00 -1.01 0.00 0.00 55.97 55.13 1fi9 s LYS 39 Cb -0.01 -1.97 -0.02 0.00 -1.01 0.00 0.00 37.83 34.82 1fi9 s LYS 39 CO -0.09 -1.47 0.50 1.79 0.51 0.00 0.00 175.35 176.59 1fi9 h THR 40 N -0.96 0.00 0.00 2.17 1.35 -1.64 -3.35 112.91 110.47 1fi9 h THR 40 Ca -0.46 -0.14 -0.18 0.00 -0.55 0.00 0.00 66.41 65.09 1fi9 h THR 40 Cb 1.31 0.00 -0.05 0.00 -1.73 0.00 0.00 68.15 67.68 1fi9 h THR 40 CO 0.65 0.00 -0.02 0.61 -0.25 0.00 0.00 175.52 176.51 1fi9 n GLY 41 N 0.59 2.69 2.45 5.82 0.00 -1.24 -4.11 105.19 111.39 1fi9 n GLY 41 Ca -0.02 -0.99 -0.13 0.00 0.00 0.00 0.00 46.02 44.88 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 2.67 1.03 -3.09 1.61 1.13 -1.26 -4.95 117.38 114.53 1fi9 n GLN 42 Ca 0.37 -2.88 -0.34 0.00 -1.94 0.00 0.00 57.00 52.20 1fi9 n GLN 42 Cb 0.71 -1.31 -0.06 0.00 0.11 0.00 0.00 30.24 29.69 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 -1.71 3.33 -1.03 -1.58 0.00 -1.26 -4.87 121.76 114.65 1fi9 s ALA 43 Ca 0.32 0.13 -0.23 0.00 0.00 0.00 0.00 51.96 52.18 1fi9 s ALA 43 Cb 0.36 -2.83 -0.00 0.00 0.00 0.00 0.00 23.12 20.65 1fi9 s ALA 43 CO -0.05 0.31 1.73 -1.25 0.00 0.00 0.00 175.76 176.50 1fi9 s PRO 44 N -2.62 3.10 0.00 0.00 0.04 -1.26 -4.38 135.00 129.89 1fi9 s PRO 44 Ca 0.51 -0.90 0.00 0.00 0.04 0.00 0.00 61.00 60.64 1fi9 s PRO 44 Cb -0.13 -5.25 0.00 0.00 0.04 0.00 0.00 34.50 29.16 1fi9 s PRO 44 CO 0.18 -2.88 0.00 0.41 0.04 0.00 0.00 177.00 174.75 1fi9 n GLY 45 N 6.58 1.32 2.66 0.56 0.00 -1.26 -4.94 105.19 110.11 1fi9 n GLY 45 Ca 0.39 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 1.08 -1.65 1.61 -0.00 -1.26 -4.84 117.46 112.39 1fi9 n PHE 46 Ca 0.00 0.81 -0.40 0.00 -0.00 0.00 0.00 57.45 57.87 1fi9 n PHE 46 Cb 0.00 -1.58 0.03 0.00 -0.00 0.00 0.00 39.48 37.93 1fi9 n PHE 46 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1fi9 n THR 47 N 2.46 3.11 -2.39 -2.13 -2.24 -1.26 -4.68 114.28 107.15 1fi9 n THR 47 Ca 0.20 -0.50 -0.26 0.00 -2.27 0.00 0.00 64.05 61.23 1fi9 n THR 47 Cb -0.02 -1.32 0.15 0.00 -2.10 0.00 0.00 70.33 67.05 1fi9 n THR 47 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1fi9 s TYR 48 N -1.35 1.25 0.04 4.78 1.51 -1.26 -5.04 117.35 117.28 1fi9 s TYR 48 Ca 0.68 -0.19 -0.06 0.00 -1.01 0.00 0.00 57.07 56.49 1fi9 s TYR 48 Cb -0.47 -3.41 -0.01 0.00 -0.11 0.00 0.00 41.96 37.96 1fi9 s TYR 48 CO 0.52 -2.20 0.12 0.99 -1.11 0.00 0.00 175.55 173.87 1fi9 s THR 49 N -3.45 0.13 -0.79 -0.71 2.01 -1.26 -5.06 115.64 106.51 1fi9 s THR 49 Ca 0.71 -1.03 -0.07 0.00 0.31 0.00 0.00 61.69 61.61 1fi9 s THR 49 Cb -0.03 -0.87 -0.14 0.00 0.01 0.00 0.00 72.50 71.47 1fi9 s THR 49 CO 0.48 -0.57 2.83 0.47 -0.69 0.00 0.00 174.62 177.14 1fi9 n ASP 50 N 0.79 6.06 0.12 3.53 8.00 -1.26 -2.31 116.55 131.48 1fi9 n ASP 50 Ca -0.19 -2.41 0.00 0.00 0.71 0.00 0.00 54.79 52.90 1fi9 n ASP 50 Cb 0.58 -1.30 0.00 0.00 -0.02 0.00 0.00 41.12 40.39 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 3.30 0.00 -0.15 2.24 0.00 -1.26 -4.77 120.51 119.87 1fi9 n ALA 51 Ca 0.53 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.89 1fi9 n ALA 51 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 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 0.59 0.29 0.00 7.08 -1.92 -1.95 115.58 119.67 1fi9 h ASN 52 Ca 0.00 -0.13 -0.15 0.00 -3.08 0.00 0.00 56.30 52.94 1fi9 h ASN 52 Cb 0.00 -0.15 -0.01 0.00 -2.08 0.00 0.00 38.32 36.08 1fi9 h ASN 52 CO 0.00 0.55 -0.60 0.50 -2.08 0.00 0.00 177.43 175.80 1fi9 h LYS 53 N 0.58 0.31 0.00 4.14 3.11 -1.79 -2.39 116.57 120.52 1fi9 h LYS 53 Ca 0.15 -0.21 0.00 0.00 -2.81 0.00 0.00 60.65 57.78 1fi9 h LYS 53 Cb 0.13 0.03 0.00 0.00 -1.00 0.00 0.00 32.23 31.39 1fi9 h LYS 53 CO -0.02 0.82 0.00 -0.97 -2.81 0.00 0.00 179.45 176.47 1fi9 h ASN 54 N 0.23 0.00 0.21 4.20 -0.73 -1.73 -3.32 115.58 114.44 1fi9 h ASN 54 Ca -0.01 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.15 1fi9 h ASN 54 Cb 1.11 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.71 1fi9 h ASN 54 CO 0.10 0.00 -0.10 0.50 -0.37 0.00 0.00 177.43 177.56 1fi9 h LYS 55 N 0.00 -0.27 -6.01 6.67 1.63 -0.81 -3.49 116.57 114.30 1fi9 h LYS 55 Ca 0.00 0.02 -0.39 0.00 -0.85 0.00 0.00 60.65 59.43 1fi9 h LYS 55 Cb 0.63 0.06 0.10 0.00 -0.60 0.00 0.00 32.23 32.42 1fi9 h LYS 55 CO 0.00 0.11 -0.89 0.41 -3.45 0.00 0.00 179.45 175.64 1fi9 n GLY 56 N 0.47 -0.80 3.38 5.01 0.00 -1.22 -5.02 105.19 107.01 1fi9 n GLY 56 Ca -0.08 0.38 -0.19 0.00 0.00 0.00 0.00 46.02 46.13 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 -3.52 0.88 -0.21 -0.61 -5.25 -1.26 -4.98 121.20 106.24 1fi9 s ILE 57 Ca 0.31 -2.00 -0.09 0.00 -0.99 0.00 0.00 60.65 57.88 1fi9 s ILE 57 Cb -0.09 -2.70 -0.05 0.00 2.95 0.00 0.00 42.46 42.58 1fi9 s ILE 57 CO 0.82 -0.02 0.11 0.42 -1.79 0.00 0.00 174.94 174.48 1fi9 s THR 58 N -3.52 5.10 -0.31 8.37 -4.23 -1.26 -1.77 115.64 118.02 1fi9 s THR 58 Ca 0.37 0.08 -0.29 0.00 -1.18 0.00 0.00 61.69 60.67 1fi9 s THR 58 Cb 0.08 -3.34 -0.00 0.00 1.34 0.00 0.00 72.50 70.58 1fi9 s THR 58 CO 0.14 0.41 1.38 0.26 -0.54 0.00 0.00 174.62 176.27 1fi9 s TRP 59 N 0.69 2.52 -0.41 3.99 0.52 -0.95 -4.79 118.94 120.50 1fi9 s TRP 59 Ca 0.06 0.77 0.09 0.00 0.02 0.00 0.00 56.10 57.04 1fi9 s TRP 59 Cb -0.13 -4.00 0.31 0.00 -1.15 0.00 0.00 33.47 28.51 1fi9 s TRP 59 CO 0.01 -1.99 0.82 0.36 0.02 0.00 0.00 176.95 176.18 1fi9 n LYS 60 N 7.53 0.92 -3.29 4.98 2.85 -1.26 -3.04 118.16 126.84 1fi9 n LYS 60 Ca 0.16 -2.77 -0.19 0.00 -1.05 0.00 0.00 58.31 54.46 1fi9 n LYS 60 Cb 0.47 -1.41 -0.05 0.00 -0.65 0.00 0.00 35.03 33.39 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 0.64 -0.91 0.04 -1.58 -0.00 -1.26 -4.58 120.64 112.98 1fi9 n GLU 61 Ca 0.17 0.06 0.00 0.00 -0.00 0.00 0.00 57.16 57.39 1fi9 n GLU 61 Cb 0.65 -2.14 0.00 0.00 -0.00 0.00 0.00 31.44 29.95 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 -2.64 0.00 -0.29 3.44 4.07 -1.26 -4.54 120.64 119.43 1fi9 n GLU 62 Ca -0.07 0.00 -0.05 0.00 -0.06 0.00 0.00 57.16 56.98 1fi9 n GLU 62 Cb 0.31 -0.02 0.06 0.00 -0.06 0.00 0.00 31.44 31.73 1fi9 n GLU 62 CO 0.00 0.00 0.00 1.15 -0.06 0.00 0.00 177.13 178.22 1fi9 h THR 63 N 0.00 1.25 -0.46 6.31 2.02 -1.87 -2.96 112.91 117.21 1fi9 h THR 63 Ca 0.00 -0.68 -0.11 0.00 0.77 0.00 0.00 66.41 66.39 1fi9 h THR 63 Cb 0.00 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 66.64 1fi9 h THR 63 CO 0.00 0.29 -0.13 0.17 0.37 0.00 0.00 175.52 176.22 1fi9 h LEU 64 N 1.11 0.90 -1.02 2.58 -0.00 -1.92 -0.00 115.31 116.96 1fi9 h LEU 64 Ca 0.27 -0.37 0.30 0.00 -0.00 0.00 0.00 57.88 58.08 1fi9 h LEU 64 Cb 0.11 -0.25 -0.14 0.00 -0.00 0.00 0.00 40.66 40.38 1fi9 h LEU 64 CO -0.04 1.06 0.59 0.24 -0.00 0.00 0.00 178.44 180.29 1fi9 h MET 65 N 0.73 0.40 0.04 0.17 2.86 -1.76 0.12 114.93 117.49 1fi9 h MET 65 Ca 0.11 -0.02 -0.21 0.00 -2.06 0.00 0.00 59.70 57.52 1fi9 h MET 65 Cb 0.68 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.23 1fi9 h MET 65 CO 0.05 0.27 -1.14 0.93 1.06 0.00 0.00 176.91 178.08 1fi9 h GLU 66 N 0.42 0.08 -0.46 1.72 4.39 -1.51 -3.30 114.58 115.91 1fi9 h GLU 66 Ca 0.70 -0.13 0.09 0.00 0.34 0.00 0.00 59.36 60.36 1fi9 h GLU 66 Cb 1.52 0.05 -0.09 0.00 -0.10 0.00 0.00 28.75 30.13 1fi9 h GLU 66 CO -0.55 1.06 -0.15 -0.92 -1.16 0.00 0.00 179.01 177.29 1fi9 h TYR 67 N -0.75 -0.35 0.00 4.33 3.20 -0.39 0.15 116.97 123.15 1fi9 h TYR 67 Ca -0.28 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.63 1fi9 h TYR 67 Cb 1.42 0.22 0.00 0.00 1.54 0.00 0.00 36.73 39.91 1fi9 h TYR 67 CO 0.13 -0.24 0.00 1.28 -1.64 0.00 0.00 178.16 177.70 1fi9 n LEU 68 N -5.36 0.00 -0.98 2.82 4.77 0.35 -0.77 117.00 117.83 1fi9 n LEU 68 Ca 0.03 0.47 0.08 0.00 -0.03 0.00 0.00 56.01 56.56 1fi9 n LEU 68 Cb 0.27 -0.47 0.25 0.00 -2.33 0.00 0.00 43.42 41.13 1fi9 n LEU 68 CO 0.11 -0.25 0.71 1.21 -1.33 0.00 0.00 177.39 177.84 1fi9 n GLU 69 N -1.47 3.14 -2.67 3.23 2.13 0.44 -3.36 120.64 122.07 1fi9 n GLU 69 Ca 0.04 -2.57 -0.04 0.00 0.66 0.00 0.00 57.16 55.24 1fi9 n GLU 69 Cb 0.15 -1.66 0.09 0.00 0.27 0.00 0.00 31.44 30.30 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 0.24 -1.30 -0.10 4.31 3.02 0.05 -4.88 115.26 116.60 1fi9 n ASN 70 Ca 0.19 -1.85 -0.13 0.00 -0.03 0.00 0.00 54.58 52.75 1fi9 n ASN 70 Cb 0.73 0.92 -0.03 0.00 -0.61 0.00 0.00 39.78 40.79 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 2.76 0.84 -1.77 3.52 0.13 -1.58 -3.05 132.00 132.84 1fi9 h PRO 71 Ca -0.27 -0.46 -0.21 0.00 -0.87 0.00 0.00 66.00 64.20 1fi9 h PRO 71 Cb 1.21 0.02 -0.08 0.00 0.13 0.00 0.00 31.00 32.28 1fi9 h PRO 71 CO -0.10 1.09 0.20 0.36 -0.23 0.00 0.00 178.00 179.32 1fi9 n LYS 72 N -4.14 1.56 0.12 0.86 0.00 -1.26 -4.09 118.16 111.21 1fi9 n LYS 72 Ca -0.03 -0.99 0.00 0.00 -0.00 0.00 0.00 58.31 57.28 1fi9 n LYS 72 Cb 0.53 -1.45 0.00 0.00 -0.00 0.00 0.00 35.03 34.11 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 0.97 0.00 -0.01 -1.58 0.00 -1.16 -4.86 118.16 111.53 1fi9 n LYS 73 Ca 0.21 0.00 -0.09 0.00 0.00 0.00 0.00 58.31 58.43 1fi9 n LYS 73 Cb 0.57 -0.03 -0.06 0.00 0.00 0.00 0.00 35.03 35.51 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 -0.93 -1.40 5.64 -1.99 -1.70 -3.42 116.97 113.16 1fi9 h TYR 74 Ca 0.00 0.04 -0.02 0.00 2.00 0.00 0.00 58.73 60.75 1fi9 h TYR 74 Cb 0.00 0.42 -0.25 0.00 2.00 0.00 0.00 36.73 38.90 1fi9 h TYR 74 CO 0.00 -0.31 -0.37 -1.50 -0.00 0.00 0.00 178.16 175.98 1fi9 s ILE 75 N -4.54 -0.82 -1.24 -2.88 -1.16 -1.26 -5.05 121.20 104.25 1fi9 s ILE 75 Ca -0.09 -0.04 -0.09 0.00 -0.51 0.00 0.00 60.65 59.93 1fi9 s ILE 75 Cb 0.04 -0.92 -0.07 0.00 0.61 0.00 0.00 42.46 42.12 1fi9 s ILE 75 CO 0.35 -0.06 2.46 -0.81 -2.81 0.00 0.00 174.94 174.07 1fi9 n PRO 76 N 5.40 2.76 0.00 3.50 -0.04 -1.26 -3.98 135.00 141.39 1fi9 n PRO 76 Ca -0.02 -1.86 0.00 0.00 -0.04 0.00 0.00 63.50 61.58 1fi9 n PRO 76 Cb 0.51 -2.68 0.00 0.00 -0.04 0.00 0.00 33.50 31.29 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 3.76 -0.27 0.00 0.55 0.00 -1.26 -4.93 105.19 103.03 1fi9 n GLY 77 Ca 0.59 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.61 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 -0.44 0.00 -2.00 2.61 -1.04 -1.26 -4.74 114.28 107.42 1fi9 n THR 78 Ca 0.00 0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 1fi9 n THR 78 Cb 0.01 -0.65 0.00 0.00 -1.82 0.00 0.00 70.33 67.87 1fi9 n THR 78 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1fi9 n LYS 79 N 0.00 0.00 -1.36 -2.82 2.85 -1.26 -5.08 118.16 110.49 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 0.00 -3.61 -3.90 -1.58 0.00 -1.26 -5.12 117.12 101.64 1fi9 n MET 80 Ca 0.00 2.79 -0.02 0.00 -0.00 0.00 0.00 57.70 60.46 1fi9 n MET 80 Cb 0.50 -3.44 0.02 0.00 0.00 0.00 0.00 33.22 30.30 1fi9 n MET 80 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 175.97 174.47 1fi9 s ILE 81 N -4.98 0.00 1.04 1.12 2.07 -1.26 -5.15 121.20 114.04 1fi9 s ILE 81 Ca 0.00 -0.52 -0.15 0.00 -1.41 0.00 0.00 60.65 58.57 1fi9 s ILE 81 Cb 0.00 -2.92 0.15 0.00 0.13 0.00 0.00 42.46 39.82 1fi9 s ILE 81 CO 0.00 0.00 0.21 2.22 -1.91 0.00 0.00 174.94 175.46 1fi9 n PHE 82 N -0.74 -2.19 0.00 3.50 -1.74 -1.26 -4.91 117.46 110.13 1fi9 n PHE 82 Ca -0.02 0.02 -0.01 0.00 -0.56 0.00 0.00 57.45 56.88 1fi9 n PHE 82 Cb 0.59 -1.41 -0.00 0.00 1.52 0.00 0.00 39.48 40.17 1fi9 n PHE 82 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1fi9 h ALA 83 N -2.55 -0.49 0.00 1.98 0.00 -2.00 -3.46 119.26 112.75 1fi9 h ALA 83 Ca -0.30 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1fi9 h ALA 83 Cb 0.91 0.55 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1fi9 h ALA 83 CO 0.20 -0.50 0.00 0.41 0.00 0.00 0.00 179.25 179.36 1fi9 n GLY 84 N -1.02 -0.76 3.66 0.00 0.00 -1.26 -4.17 105.19 101.64 1fi9 n GLY 84 Ca -0.00 -0.94 -0.31 0.00 0.00 0.00 0.00 46.02 44.77 1fi9 n GLY 84 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fi9 s ILE 85 N -3.00 2.05 0.19 -0.61 -1.09 -1.22 -4.91 121.20 112.62 1fi9 s ILE 85 Ca 0.00 0.02 -0.18 0.00 -2.23 0.00 0.00 60.65 58.26 1fi9 s ILE 85 Cb 0.00 -2.03 0.16 0.00 -1.58 0.00 0.00 42.46 39.01 1fi9 s ILE 85 CO 0.00 -0.02 1.38 0.29 -1.23 0.00 0.00 174.94 175.36 1fi9 n LYS 86 N -4.29 -0.25 -1.65 2.79 5.02 -1.26 -4.87 118.16 113.65 1fi9 n LYS 86 Ca 0.11 1.36 -0.00 0.00 -2.02 0.00 0.00 58.31 57.77 1fi9 n LYS 86 Cb 0.52 -2.02 0.00 0.00 -0.02 0.00 0.00 35.03 33.51 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 -5.27 0.00 -0.24 1.97 2.85 -1.26 -5.03 118.16 111.17 1fi9 n LYS 87 Ca 0.08 -0.01 -0.06 0.00 -1.05 0.00 0.00 58.31 57.27 1fi9 n LYS 87 Cb 0.33 0.02 0.05 0.00 -0.65 0.00 0.00 35.03 34.78 1fi9 n LYS 87 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 1fi9 h LYS 88 N 0.00 0.94 -0.04 -1.58 3.64 -1.98 -0.07 116.57 117.47 1fi9 h LYS 88 Ca -0.00 -0.11 0.03 0.00 -1.27 0.00 0.00 60.65 59.30 1fi9 h LYS 88 Cb 0.01 -0.19 -0.06 0.00 -0.41 0.00 0.00 32.23 31.59 1fi9 h LYS 88 CO 0.00 0.71 -0.49 1.15 -2.27 0.00 0.00 179.45 178.55 1fi9 h THR 89 N 0.93 0.06 -0.70 1.00 2.02 -1.99 0.19 112.91 114.41 1fi9 h THR 89 Ca 0.24 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.42 1fi9 h THR 89 Cb 0.04 0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 66.47 1fi9 h THR 89 CO -0.04 0.00 0.46 -0.33 0.37 0.00 0.00 175.52 175.98 1fi9 h GLU 90 N -0.61 0.92 -0.57 6.66 3.07 -1.90 -1.36 114.58 120.80 1fi9 h GLU 90 Ca 0.04 -0.06 0.11 0.00 -0.50 0.00 0.00 59.36 58.95 1fi9 h GLU 90 Cb 0.69 -0.21 -0.09 0.00 -0.84 0.00 0.00 28.75 28.31 1fi9 h GLU 90 CO -0.37 0.62 0.07 0.00 -1.40 0.00 0.00 179.01 177.93 1fi9 h ARG 91 N 0.94 0.19 0.40 2.33 2.47 0.02 0.16 114.38 120.89 1fi9 h ARG 91 Ca 0.25 -0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.94 1fi9 h ARG 91 Cb -0.10 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.18 1fi9 h ARG 91 CO -0.05 0.12 -0.19 1.49 0.56 0.00 0.00 179.97 181.90 1fi9 h GLU 92 N 0.19 -0.52 -0.81 0.04 4.57 -0.65 -1.25 114.58 116.15 1fi9 h GLU 92 Ca 0.30 0.04 0.20 0.00 -1.18 0.00 0.00 59.36 58.71 1fi9 h GLU 92 Cb 0.45 0.12 -0.13 0.00 -0.16 0.00 0.00 28.75 29.02 1fi9 h GLU 92 CO -0.42 -0.26 0.13 0.22 -1.18 0.00 0.00 179.01 177.50 1fi9 h ASP 93 N -0.70 -0.14 0.57 1.04 3.58 -0.79 0.28 116.42 120.25 1fi9 h ASP 93 Ca -0.05 0.19 -0.03 0.00 0.42 0.00 0.00 57.03 57.56 1fi9 h ASP 93 Cb 0.50 0.29 0.00 0.00 1.72 0.00 0.00 39.33 41.84 1fi9 h ASP 93 CO 0.09 -0.15 -0.30 0.25 -2.88 0.00 0.00 179.24 176.25 1fi9 h LEU 94 N 0.18 -0.74 -0.94 2.28 6.46 -0.45 -2.08 115.31 120.03 1fi9 h LEU 94 Ca 0.47 0.03 0.25 0.00 -0.12 0.00 0.00 57.88 58.51 1fi9 h LEU 94 Cb 0.89 0.20 -0.13 0.00 -0.73 0.00 0.00 40.66 40.89 1fi9 h LEU 94 CO -0.64 -0.50 0.45 0.40 -0.62 0.00 0.00 178.44 177.53 1fi9 h ILE 95 N -0.81 0.43 -0.12 4.05 5.03 0.01 -0.17 117.51 125.94 1fi9 h ILE 95 Ca -0.07 -0.14 0.04 0.00 -0.12 0.00 0.00 64.86 64.57 1fi9 h ILE 95 Cb 0.64 -0.00 -0.06 0.00 -3.03 0.00 0.00 36.82 34.37 1fi9 h ILE 95 CO 0.10 0.07 -0.24 0.00 -0.68 0.00 0.00 178.15 177.41 1fi9 h ALA 96 N 1.75 -0.23 0.69 1.87 0.00 -0.30 0.34 119.26 123.38 1fi9 h ALA 96 Ca 0.61 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.52 1fi9 h ALA 96 Cb 1.22 0.46 0.00 0.00 0.00 0.00 0.00 17.79 19.47 1fi9 h ALA 96 CO -0.55 -0.71 -0.35 -0.92 0.00 0.00 0.00 179.25 176.72 1fi9 h TYR 97 N -0.31 -0.93 -0.98 0.00 3.20 -0.96 -3.01 116.97 113.99 1fi9 h TYR 97 Ca 0.10 -0.02 0.30 0.00 3.14 0.00 0.00 58.73 62.25 1fi9 h TYR 97 Cb 0.45 0.31 -0.18 0.00 1.54 0.00 0.00 36.73 38.86 1fi9 h TYR 97 CO -0.33 -0.56 0.16 -0.07 -1.64 0.00 0.00 178.16 175.72 1fi9 h LEU 98 N -0.96 -0.25 -0.19 2.82 4.07 -0.82 0.28 115.31 120.27 1fi9 h LEU 98 Ca -0.09 0.27 0.04 0.00 0.08 0.00 0.00 57.88 58.18 1fi9 h LEU 98 Cb 0.74 0.41 -0.07 0.00 1.08 0.00 0.00 40.66 42.82 1fi9 h LEU 98 CO 0.14 -0.35 -0.46 0.11 -1.08 0.00 0.00 178.44 176.80 1fi9 h LYS 99 N 0.03 -0.47 -0.18 1.13 1.57 -0.20 0.31 116.57 118.76 1fi9 h LYS 99 Ca 0.65 0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 59.42 1fi9 h LYS 99 Cb 1.43 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.84 1fi9 h LYS 99 CO -0.86 -0.31 -0.03 -0.22 -0.57 0.00 0.00 179.45 177.46 1fi9 h LYS 100 N -0.49 0.34 0.15 3.15 1.63 -0.79 -2.75 116.57 117.81 1fi9 h LYS 100 Ca 0.07 -0.12 -0.01 0.00 -0.85 0.00 0.00 60.65 59.75 1fi9 h LYS 100 Cb 0.64 -0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.24 1fi9 h LYS 100 CO -0.45 0.59 -0.08 0.00 -3.45 0.00 0.00 179.45 176.06 1fi9 h ALA 101 N 0.74 -0.21 -0.26 5.00 0.00 0.06 0.30 119.26 124.90 1fi9 h ALA 101 Ca 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1fi9 h ALA 101 Cb 0.45 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1fi9 h ALA 101 CO 0.02 -0.62 0.17 1.79 0.00 0.00 0.00 179.25 180.60 1fi9 h THR 102 N -0.21 1.07 -0.38 0.00 1.35 -0.54 -2.98 112.91 111.23 1fi9 h THR 102 Ca -0.02 -0.13 0.05 0.00 -0.55 0.00 0.00 66.41 65.76 1fi9 h THR 102 Cb 0.17 0.70 -0.04 0.00 -1.73 0.00 0.00 68.15 67.25 1fi9 h THR 102 CO 0.02 0.07 0.12 -1.13 -0.25 0.00 0.00 175.52 174.35 1fi9 h ASN 103 N 0.34 0.12 0.00 5.36 -0.73 -1.11 -2.94 115.58 116.62 1fi9 h ASN 103 Ca 0.09 0.05 0.00 0.00 1.87 0.00 0.00 56.30 58.31 1fi9 h ASN 103 Cb -0.03 0.04 0.00 0.00 0.27 0.00 0.00 38.32 38.59 1fi9 h ASN 103 CO -0.02 0.10 0.00 -1.84 -0.37 0.00 0.00 177.43 175.30