#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 6.68 0.13 1.61 -1.08 -1.26 -4.68 116.67 118.07 1fi9 s ASP 2 Ca 0.00 2.27 -0.12 0.00 -0.52 0.00 0.00 52.55 54.18 1fi9 s ASP 2 Cb 0.00 -2.54 -0.04 0.00 -1.46 0.00 0.00 42.92 38.88 1fi9 s ASP 2 CO 0.00 -0.89 1.49 0.58 0.52 0.00 0.00 175.17 176.87 1fi9 h VAL 3 N 5.33 1.28 0.22 1.11 2.07 -1.87 0.13 116.25 124.52 1fi9 h VAL 3 Ca -0.40 -1.43 -0.01 0.00 0.82 0.00 0.00 66.70 65.68 1fi9 h VAL 3 Cb 1.18 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 32.28 1fi9 h VAL 3 CO 0.94 0.48 -0.11 -0.33 0.02 0.00 0.00 177.57 178.58 1fi9 h GLU 4 N 0.70 -0.29 -0.22 1.57 4.39 -1.92 0.10 114.58 118.91 1fi9 h GLU 4 Ca 0.08 0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.83 1fi9 h GLU 4 Cb 0.85 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.53 1fi9 h GLU 4 CO 0.07 0.05 0.05 0.87 -1.16 0.00 0.00 179.01 178.89 1fi9 h LYS 5 N -0.66 0.13 -0.81 2.33 1.57 -1.93 -1.86 116.57 115.35 1fi9 h LYS 5 Ca -0.03 -0.01 0.20 0.00 -1.87 0.00 0.00 60.65 58.94 1fi9 h LYS 5 Cb 0.47 -0.03 -0.13 0.00 0.08 0.00 0.00 32.23 32.61 1fi9 h LYS 5 CO 0.05 0.09 0.13 0.78 -0.57 0.00 0.00 179.45 179.93 1fi9 h GLY 6 N 0.14 1.10 0.80 3.86 0.00 -0.61 0.35 103.07 108.71 1fi9 h GLY 6 Ca 0.10 0.03 0.02 0.00 0.00 0.00 0.00 47.33 47.48 1fi9 h GLY 6 CO -0.13 -0.31 0.03 1.70 0.00 0.00 0.00 176.54 177.83 1fi9 h LYS 7 N 0.17 0.10 -0.31 4.80 3.64 -0.08 -0.62 116.57 124.27 1fi9 h LYS 7 Ca 0.48 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.75 1fi9 h LYS 7 Cb 0.90 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.69 1fi9 h LYS 7 CO -0.64 0.07 -0.20 0.87 -2.27 0.00 0.00 179.45 177.27 1fi9 h LYS 8 N 0.10 0.69 0.05 1.90 6.56 -0.27 -2.99 116.57 122.60 1fi9 h LYS 8 Ca 0.08 -0.32 0.03 0.00 -1.06 0.00 0.00 60.65 59.37 1fi9 h LYS 8 Cb 0.07 -0.01 -0.04 0.00 -0.57 0.00 0.00 32.23 31.68 1fi9 h LYS 8 CO -0.11 0.93 -0.30 0.82 -2.06 0.00 0.00 179.45 178.73 1fi9 h ILE 9 N 0.44 0.34 -0.80 1.86 2.04 -0.03 0.40 117.51 121.76 1fi9 h ILE 9 Ca 0.06 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.11 1fi9 h ILE 9 Cb 0.75 0.34 -0.12 0.00 -0.74 0.00 0.00 36.82 37.05 1fi9 h ILE 9 CO 0.06 0.00 0.22 0.15 0.00 0.00 0.00 178.15 178.57 1fi9 h PHE 10 N -0.48 0.33 0.00 1.37 3.57 -1.15 0.43 116.94 121.02 1fi9 h PHE 10 Ca 0.05 0.05 -0.06 0.00 3.53 0.00 0.00 57.97 61.54 1fi9 h PHE 10 Cb 0.54 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 1fi9 h PHE 10 CO -0.31 -0.11 -0.28 0.28 -2.23 0.00 0.00 178.31 175.66 1fi9 h VAL 11 N 0.27 0.62 0.00 1.41 2.07 -1.00 0.11 116.25 119.72 1fi9 h VAL 11 Ca 0.47 -1.34 0.00 0.00 0.82 0.00 0.00 66.70 66.65 1fi9 h VAL 11 Cb 0.85 1.90 0.00 0.00 -1.52 0.00 0.00 31.29 32.53 1fi9 h VAL 11 CO -0.56 0.27 -1.22 0.00 0.02 0.00 0.00 177.57 176.08 1fi9 n GLN 12 N -3.37 0.31 -0.05 1.57 1.13 0.13 -4.42 117.38 112.67 1fi9 n GLN 12 Ca 0.01 -0.04 -0.12 0.00 -1.94 0.00 0.00 57.00 54.91 1fi9 n GLN 12 Cb 0.49 -1.56 -0.04 0.00 0.11 0.00 0.00 30.24 29.24 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 -1.94 0.26 -0.07 -1.09 4.76 0.13 -4.96 118.16 115.25 1fi9 n LYS 13 Ca 0.01 0.11 -0.15 0.00 -2.87 0.00 0.00 58.31 55.42 1fi9 n LYS 13 Cb 0.44 -0.93 -0.05 0.00 -1.84 0.00 0.00 35.03 32.65 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 -3.67 0.00 -1.09 0.00 0.00 -0.26 -1.96 120.51 113.53 1fi9 n ALA 15 Ca -0.27 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 52.88 1fi9 n ALA 15 Cb 0.67 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.07 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 2.93 0.06 0.00 6.02 -1.26 -3.05 117.38 122.07 1fi9 n GLN 16 Ca 0.00 -1.75 0.00 0.00 -0.01 0.00 0.00 57.00 55.24 1fi9 n GLN 16 Cb 0.00 -2.54 0.00 0.00 1.02 0.00 0.00 30.24 28.72 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 2.84 0.08 0.00 3.76 -1.17 -0.30 115.29 118.50 1fi9 s HIS 18 Ca 0.00 -0.27 -0.05 0.00 -0.15 0.00 0.00 55.06 54.59 1fi9 s HIS 18 Cb 0.00 -2.47 -0.02 0.00 1.11 0.00 0.00 32.58 31.20 1fi9 s HIS 18 CO 0.00 -0.53 0.09 0.99 -0.85 0.00 0.00 174.74 174.44 1fi9 s THR 19 N -2.46 0.16 -0.37 1.30 2.01 -1.26 -4.57 115.64 110.45 1fi9 s THR 19 Ca 0.55 -1.54 0.13 0.00 0.31 0.00 0.00 61.69 61.13 1fi9 s THR 19 Cb -0.10 -1.54 0.37 0.00 0.01 0.00 0.00 72.50 71.24 1fi9 s THR 19 CO 0.35 -0.74 0.85 1.33 -0.69 0.00 0.00 174.62 175.72 1fi9 n VAL 20 N -0.01 0.12 -3.66 3.82 0.24 -1.26 0.26 118.33 117.84 1fi9 n VAL 20 Ca -0.13 -3.73 -0.11 0.00 -2.04 0.00 0.00 64.34 58.33 1fi9 n VAL 20 Cb 0.62 0.22 -0.05 0.00 -1.47 0.00 0.00 33.84 33.16 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 -2.14 1.02 -1.18 7.34 4.04 -1.26 -4.19 118.70 122.32 1fi9 s GLU 21 Ca 0.34 -0.64 -0.15 0.00 0.04 0.00 0.00 54.97 54.56 1fi9 s GLU 21 Cb 0.37 0.45 -0.05 0.00 0.02 0.00 0.00 34.13 34.91 1fi9 s GLU 21 CO -0.05 -0.38 2.19 1.17 -1.84 0.00 0.00 175.26 176.35 1fi9 n LYS 22 N -0.04 2.39 0.00 -4.83 0.00 -1.26 -2.19 118.16 112.23 1fi9 n LYS 22 Ca -0.17 -2.17 0.00 0.00 0.00 0.00 0.00 58.31 55.98 1fi9 n LYS 22 Cb 0.63 -3.01 0.00 0.00 0.00 0.00 0.00 35.03 32.64 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 4.15 0.11 3.49 3.14 0.00 -1.26 -5.12 105.19 109.71 1fi9 n GLY 23 Ca 0.53 0.00 -0.60 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 0.00 0.23 3.76 -0.02 0.00 -0.93 -4.93 105.19 103.30 1fi9 n GLY 24 Ca 0.00 1.03 -0.30 0.00 0.00 0.00 0.00 46.02 46.74 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 4.87 2.01 0.03 1.61 1.02 -1.26 -4.65 119.74 123.37 1fi9 s LYS 25 Ca 1.11 0.97 -0.10 0.00 0.02 0.00 0.00 55.97 57.96 1fi9 s LYS 25 Cb -1.31 -1.88 -0.04 0.00 -0.52 0.00 0.00 37.83 34.07 1fi9 s LYS 25 CO 0.67 -1.76 1.16 0.45 -0.92 0.00 0.00 175.35 174.95 1fi9 h HIS 26 N -1.20 -0.43 0.00 3.18 3.86 -1.91 -3.39 115.15 115.26 1fi9 h HIS 26 Ca -0.46 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 58.76 1fi9 h HIS 26 Cb 1.25 0.18 0.00 0.00 1.06 0.00 0.00 27.41 29.90 1fi9 h HIS 26 CO 0.52 -0.18 0.00 0.36 0.86 0.00 0.00 177.93 179.49 1fi9 n LYS 27 N -3.27 0.00 -0.09 2.45 2.85 -1.26 -4.06 118.16 114.78 1fi9 n LYS 27 Ca -0.03 0.00 -0.18 0.00 -1.05 0.00 0.00 58.31 57.05 1fi9 n LYS 27 Cb 0.12 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.40 1fi9 n LYS 27 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 1fi9 h THR 28 N 0.00 0.97 -3.50 0.58 2.02 -1.91 -3.44 112.91 107.63 1fi9 h THR 28 Ca 0.00 -2.06 -0.58 0.00 0.77 0.00 0.00 66.41 64.54 1fi9 h THR 28 Cb 0.00 2.16 -0.08 0.00 -1.74 0.00 0.00 68.15 68.49 1fi9 h THR 28 CO 0.00 0.33 0.74 -0.83 0.37 0.00 0.00 175.52 176.13 1fi9 s GLY 29 N -4.63 1.50 -1.30 2.16 0.00 0.59 -4.94 107.32 100.70 1fi9 s GLY 29 Ca -0.25 -0.37 -0.17 0.00 0.00 0.00 0.00 44.72 43.93 1fi9 s GLY 29 CO 0.55 2.18 1.99 -1.55 0.00 0.00 0.00 173.10 176.27 1fi9 n PRO 30 N 7.07 2.72 -0.39 2.90 -0.04 -1.26 -4.16 135.00 141.83 1fi9 n PRO 30 Ca 0.09 -2.76 0.00 0.00 -0.04 0.00 0.00 63.50 60.80 1fi9 n PRO 30 Cb 0.48 -3.37 0.00 0.00 -0.04 0.00 0.00 33.50 30.57 1fi9 n PRO 30 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1fi9 n ASN 31 N 7.85 0.00 -2.03 3.54 5.15 -1.26 -4.69 115.26 123.82 1fi9 n ASN 31 Ca 0.50 0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 54.39 1fi9 n ASN 31 Cb 0.42 0.00 -0.12 0.00 -0.53 0.00 0.00 39.78 39.55 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 0.30 4.33 -3.51 1.20 4.77 0.14 -4.72 117.00 119.51 1fi9 n LEU 32 Ca 0.00 -2.63 -0.40 0.00 -0.03 0.00 0.00 56.01 52.95 1fi9 n LEU 32 Cb 0.00 -1.14 -0.02 0.00 -2.33 0.00 0.00 43.42 39.93 1fi9 n LEU 32 CO 0.00 1.26 3.07 1.57 -1.33 0.00 0.00 177.39 181.96 1fi9 n HIS 33 N 2.48 2.93 0.00 -1.77 -0.00 -1.26 -3.08 115.22 114.52 1fi9 n HIS 33 Ca 0.31 -3.04 0.00 0.00 0.46 0.00 0.00 57.72 55.45 1fi9 n HIS 33 Cb 0.72 -2.52 0.00 0.00 -0.12 0.00 0.00 29.99 28.07 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 3.79 -0.01 0.17 1.57 0.00 -1.00 -4.87 105.19 104.84 1fi9 n GLY 34 Ca 0.66 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 46.53 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 -0.28 -5.60 0.99 5.85 -1.82 -3.39 115.31 111.05 1fi9 h LEU 35 Ca 0.00 -0.23 -0.59 0.00 0.84 0.00 0.00 57.88 57.91 1fi9 h LEU 35 Cb 0.00 0.07 0.01 0.00 0.37 0.00 0.00 40.66 41.12 1fi9 h LEU 35 CO 0.00 0.21 3.06 0.49 -0.34 0.00 0.00 178.44 181.86 1fi9 n PHE 36 N -5.01 2.23 0.00 1.25 3.01 -1.26 -3.32 117.46 114.36 1fi9 n PHE 36 Ca -0.08 -2.50 0.00 0.00 1.01 0.00 0.00 57.45 55.88 1fi9 n PHE 36 Cb 0.25 -2.12 0.00 0.00 -0.01 0.00 0.00 39.48 37.60 1fi9 n PHE 36 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1fi9 n GLY 37 N 3.91 0.00 3.84 1.37 0.00 -1.25 -4.99 105.19 108.08 1fi9 n GLY 37 Ca 0.58 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.52 1fi9 n GLY 37 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1fi9 s ARG 38 N 0.00 1.93 0.42 1.61 1.70 -1.21 -5.09 118.95 118.30 1fi9 s ARG 38 Ca 0.00 -1.14 0.08 0.00 -0.47 0.00 0.00 55.73 54.20 1fi9 s ARG 38 Cb 0.00 0.61 0.01 0.00 -0.57 0.00 0.00 34.95 34.99 1fi9 s ARG 38 CO 0.00 -0.89 0.54 0.15 -1.08 0.00 0.00 175.30 174.02 1fi9 s LYS 39 N -3.31 2.77 0.81 3.89 3.01 -1.26 -3.41 119.74 122.24 1fi9 s LYS 39 Ca 0.13 -1.30 -0.14 0.00 -1.01 0.00 0.00 55.97 53.65 1fi9 s LYS 39 Cb -0.06 -2.69 0.19 0.00 -1.01 0.00 0.00 37.83 34.26 1fi9 s LYS 39 CO 0.08 -0.26 1.04 0.25 0.51 0.00 0.00 175.35 176.97 1fi9 n THR 40 N -1.80 0.00 -4.25 2.17 -2.24 -0.32 -4.34 114.28 103.50 1fi9 n THR 40 Ca 0.07 -0.73 -0.33 0.00 -2.27 0.00 0.00 64.05 60.79 1fi9 n THR 40 Cb 0.60 -1.55 -0.06 0.00 -2.10 0.00 0.00 70.33 67.22 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 -2.16 -0.27 3.19 3.38 0.00 -1.11 -4.85 105.19 103.37 1fi9 n GLY 41 Ca 0.13 0.14 -0.11 0.00 0.00 0.00 0.00 46.02 46.18 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 -7.05 0.33 -0.14 1.61 -1.52 -1.26 -4.80 119.66 106.82 1fi9 s GLN 42 Ca 0.33 0.65 -0.27 0.00 -1.95 0.00 0.00 55.36 54.12 1fi9 s GLN 42 Cb -0.19 -0.03 0.07 0.00 -0.22 0.00 0.00 33.01 32.64 1fi9 s GLN 42 CO 0.96 -0.14 0.66 0.00 -0.25 0.00 0.00 175.29 176.52 1fi9 s ALA 43 N 1.17 -1.69 -0.66 6.09 0.00 -1.26 -5.03 121.76 120.37 1fi9 s ALA 43 Ca -0.08 1.55 -0.27 0.00 0.00 0.00 0.00 51.96 53.16 1fi9 s ALA 43 Cb -0.08 -0.51 0.00 0.00 0.00 0.00 0.00 23.12 22.53 1fi9 s ALA 43 CO -0.09 -0.34 1.62 -1.25 0.00 0.00 0.00 175.76 175.69 1fi9 s PRO 44 N -0.49 2.86 -1.30 0.00 0.04 -1.26 -4.09 135.00 130.77 1fi9 s PRO 44 Ca -0.06 0.26 -0.04 0.00 0.04 0.00 0.00 61.00 61.20 1fi9 s PRO 44 Cb -0.02 -4.30 -0.00 0.00 0.04 0.00 0.00 34.50 30.21 1fi9 s PRO 44 CO 0.06 -2.49 0.64 0.41 0.04 0.00 0.00 177.00 175.66 1fi9 n GLY 45 N 5.57 -0.42 1.17 0.56 0.00 -1.26 -4.88 105.19 105.93 1fi9 n GLY 45 Ca 0.13 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.36 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 -4.25 -0.07 -0.90 1.61 7.35 -1.26 -5.07 117.46 114.88 1fi9 n PHE 46 Ca -0.26 0.01 0.00 0.00 -0.76 0.00 0.00 57.45 56.44 1fi9 n PHE 46 Cb 0.66 0.08 0.00 0.00 0.35 0.00 0.00 39.48 40.58 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 -3.01 -1.79 -3.04 -2.13 -1.04 -1.26 -5.12 114.28 96.89 1fi9 n THR 47 Ca 0.00 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 61.83 1fi9 n THR 47 Cb 0.35 -2.62 0.02 0.00 -1.82 0.00 0.00 70.33 66.25 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 0.00 2.55 0.36 -1.42 -0.85 -1.26 -5.11 117.35 111.62 1fi9 s TYR 48 Ca 0.00 -0.46 -0.17 0.00 -0.52 0.00 0.00 57.07 55.92 1fi9 s TYR 48 Cb 0.00 -2.34 -0.09 0.00 0.38 0.00 0.00 41.96 39.91 1fi9 s TYR 48 CO 0.00 -0.54 0.81 0.95 -1.52 0.00 0.00 175.55 175.25 1fi9 s THR 49 N -2.41 4.60 0.24 -3.49 -4.23 -1.26 -4.98 115.64 104.10 1fi9 s THR 49 Ca 0.56 1.10 -0.14 0.00 -1.18 0.00 0.00 61.69 62.03 1fi9 s THR 49 Cb -0.09 -3.62 0.30 0.00 1.34 0.00 0.00 72.50 70.44 1fi9 s THR 49 CO 0.34 -0.26 1.57 0.44 -0.54 0.00 0.00 174.62 176.17 1fi9 h ASP 50 N 2.06 -1.09 -0.91 3.99 5.19 -1.99 0.12 116.42 123.79 1fi9 h ASP 50 Ca -0.48 0.28 0.25 0.00 -0.62 0.00 0.00 57.03 56.45 1fi9 h ASP 50 Cb 1.18 0.63 -0.17 0.00 0.18 0.00 0.00 39.33 41.14 1fi9 h ASP 50 CO 0.64 -0.30 0.01 0.00 -3.12 0.00 0.00 179.24 176.47 1fi9 n ALA 51 N -3.42 0.45 -0.04 3.45 0.00 -1.26 -0.07 120.51 119.62 1fi9 n ALA 51 Ca 0.11 0.98 -0.08 0.00 0.00 0.00 0.00 53.44 54.45 1fi9 n ALA 51 Cb 0.42 -0.71 0.09 0.00 0.00 0.00 0.00 19.45 19.26 1fi9 n ALA 51 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1fi9 h ASN 52 N 0.00 0.70 -0.38 0.00 -1.24 -1.12 -1.36 115.58 112.17 1fi9 h ASN 52 Ca 0.55 -0.29 -0.13 0.00 0.71 0.00 0.00 56.30 57.14 1fi9 h ASN 52 Cb 1.11 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 39.96 1fi9 h ASN 52 CO -0.86 0.97 -0.26 0.50 -1.29 0.00 0.00 177.43 176.50 1fi9 h LYS 53 N 0.57 0.89 -0.07 6.67 3.11 -0.85 -2.87 116.57 124.02 1fi9 h LYS 53 Ca 0.06 -0.39 0.02 0.00 -2.81 0.00 0.00 60.65 57.53 1fi9 h LYS 53 Cb 0.84 -0.02 -0.00 0.00 -1.00 0.00 0.00 32.23 32.04 1fi9 h LYS 53 CO 0.07 1.04 0.05 -0.97 -2.81 0.00 0.00 179.45 176.83 1fi9 h ASN 54 N 0.76 0.00 0.68 4.20 -0.73 0.00 -2.66 115.58 117.83 1fi9 h ASN 54 Ca 0.09 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.24 1fi9 h ASN 54 Cb 0.81 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.40 1fi9 h ASN 54 CO 0.07 0.00 -0.43 0.50 -0.37 0.00 0.00 177.43 177.20 1fi9 h LYS 55 N 0.00 -1.01 -5.68 6.67 3.64 -1.05 -3.48 116.57 115.66 1fi9 h LYS 55 Ca 0.03 0.07 -0.31 0.00 -1.27 0.00 0.00 60.65 59.17 1fi9 h LYS 55 Cb 0.14 0.23 0.16 0.00 -0.41 0.00 0.00 32.23 32.35 1fi9 h LYS 55 CO -0.00 -0.67 -0.85 0.41 -2.27 0.00 0.00 179.45 176.07 1fi9 n GLY 56 N -1.56 -0.88 0.00 5.01 0.00 -1.00 -5.03 105.19 101.73 1fi9 n GLY 56 Ca -0.14 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 -3.68 0.00 -4.44 -0.61 -5.35 -1.26 -4.96 119.36 99.07 1fi9 n ILE 57 Ca -0.15 0.00 -0.20 0.00 -0.27 0.00 0.00 62.75 62.14 1fi9 n ILE 57 Cb 0.63 0.00 -0.05 0.00 -1.74 0.00 0.00 39.64 38.49 1fi9 n ILE 57 CO 0.00 0.00 0.00 1.07 -1.76 0.00 0.00 176.55 175.86 1fi9 n THR 58 N 0.00 0.00 -3.82 7.28 5.66 -1.26 -1.17 114.28 120.97 1fi9 n THR 58 Ca 0.00 -1.57 -0.28 0.00 -3.05 0.00 0.00 64.05 59.15 1fi9 n THR 58 Cb 0.00 0.41 -0.16 0.00 -1.55 0.00 0.00 70.33 69.02 1fi9 n THR 58 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 175.07 172.28 1fi9 s TRP 59 N -2.33 1.41 -0.29 1.09 0.52 -1.22 -4.77 118.94 113.36 1fi9 s TRP 59 Ca 0.05 -1.01 0.20 0.00 0.02 0.00 0.00 56.10 55.36 1fi9 s TRP 59 Cb 0.00 -1.18 0.48 0.00 -1.15 0.00 0.00 33.47 31.62 1fi9 s TRP 59 CO 0.03 -0.61 1.23 0.36 0.02 0.00 0.00 176.95 177.99 1fi9 n LYS 60 N 4.95 1.60 0.00 4.98 2.85 -1.26 -3.83 118.16 127.44 1fi9 n LYS 60 Ca -0.10 -2.82 0.00 0.00 -1.05 0.00 0.00 58.31 54.34 1fi9 n LYS 60 Cb 0.47 -0.99 0.00 0.00 -0.65 0.00 0.00 35.03 33.86 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 -0.86 0.00 -0.23 -1.58 0.28 -1.26 -4.57 120.64 112.42 1fi9 n GLU 61 Ca -0.00 0.00 0.03 0.00 -0.16 0.00 0.00 57.16 57.03 1fi9 n GLU 61 Cb 0.82 -0.04 0.13 0.00 1.43 0.00 0.00 31.44 33.79 1fi9 n GLU 61 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 1fi9 h GLU 62 N 0.00 0.12 0.26 3.44 4.81 -1.97 0.15 114.58 121.39 1fi9 h GLU 62 Ca 0.00 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1fi9 h GLU 62 Cb 0.00 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.36 1fi9 h GLU 62 CO 0.00 0.08 -0.12 1.79 -0.73 0.00 0.00 179.01 180.02 1fi9 h THR 63 N 0.12 0.61 -0.89 0.32 1.35 -1.86 -3.21 112.91 109.34 1fi9 h THR 63 Ca 0.37 -0.88 0.16 0.00 -0.55 0.00 0.00 66.41 65.51 1fi9 h THR 63 Cb 0.62 0.99 -0.07 0.00 -1.73 0.00 0.00 68.15 67.96 1fi9 h THR 63 CO -0.59 0.14 0.58 0.17 -0.25 0.00 0.00 175.52 175.57 1fi9 h LEU 64 N -0.91 0.62 -0.81 3.87 -0.00 -1.83 -1.39 115.31 114.85 1fi9 h LEU 64 Ca -0.04 0.04 0.20 0.00 -0.00 0.00 0.00 57.88 58.08 1fi9 h LEU 64 Cb 0.50 -0.08 -0.14 0.00 -0.00 0.00 0.00 40.66 40.95 1fi9 h LEU 64 CO 0.06 0.30 0.06 0.24 -0.00 0.00 0.00 178.44 179.10 1fi9 h MET 65 N 0.64 0.12 -0.00 0.17 2.86 -0.69 0.15 114.93 118.17 1fi9 h MET 65 Ca 0.46 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 58.08 1fi9 h MET 65 Cb 0.80 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.43 1fi9 h MET 65 CO -0.21 0.08 -0.04 0.93 1.06 0.00 0.00 176.91 178.73 1fi9 h GLU 66 N 0.12 0.03 -0.38 1.72 5.08 -1.35 -3.29 114.58 116.51 1fi9 h GLU 66 Ca 0.46 -0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.87 1fi9 h GLU 66 Cb 0.86 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 30.04 1fi9 h GLU 66 CO -0.69 0.76 -0.12 -0.92 -1.00 0.00 0.00 179.01 177.04 1fi9 h TYR 67 N -0.68 -0.26 -0.07 4.33 3.20 -0.77 0.30 116.97 123.01 1fi9 h TYR 67 Ca -0.00 0.04 0.02 0.00 3.14 0.00 0.00 58.73 61.92 1fi9 h TYR 67 Cb 0.77 0.18 -0.00 0.00 1.54 0.00 0.00 36.73 39.22 1fi9 h TYR 67 CO 0.18 -0.19 0.08 -0.07 -1.64 0.00 0.00 178.16 176.52 1fi9 h LEU 68 N -0.03 0.00 -1.80 2.82 3.38 -0.92 -0.28 115.31 118.48 1fi9 h LEU 68 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1fi9 h LEU 68 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1fi9 h LEU 68 CO -0.41 0.00 -0.01 1.21 0.09 0.00 0.00 178.44 179.32 1fi9 n GLU 69 N -3.83 1.92 -2.68 1.13 0.00 0.74 -3.62 120.64 114.29 1fi9 n GLU 69 Ca -0.01 -1.74 -0.05 0.00 0.00 0.00 0.00 57.16 55.36 1fi9 n GLU 69 Cb 0.18 -1.40 0.08 0.00 0.00 0.00 0.00 31.44 30.30 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 1.16 -1.62 0.27 4.31 3.02 0.54 -4.27 115.26 118.66 1fi9 n ASN 70 Ca 0.12 -2.23 -0.11 0.00 -0.03 0.00 0.00 54.58 52.33 1fi9 n ASN 70 Cb 0.53 1.13 -0.05 0.00 -0.61 0.00 0.00 39.78 40.78 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 2.97 -0.71 -0.76 3.52 0.13 -1.49 -3.02 132.00 132.65 1fi9 h PRO 71 Ca -0.23 0.05 0.20 0.00 -0.87 0.00 0.00 66.00 65.15 1fi9 h PRO 71 Cb 1.17 0.16 -0.04 0.00 0.13 0.00 0.00 31.00 32.43 1fi9 h PRO 71 CO -0.03 -0.47 0.53 1.57 -0.23 0.00 0.00 178.00 179.38 1fi9 h LYS 72 N -1.14 0.09 -0.76 0.86 -0.00 -1.89 -1.69 116.57 112.04 1fi9 h LYS 72 Ca -0.07 -0.01 -0.04 0.00 -0.00 0.00 0.00 60.65 60.53 1fi9 h LYS 72 Cb 0.56 -0.02 -0.03 0.00 -0.00 0.00 0.00 32.23 32.74 1fi9 h LYS 72 CO 0.12 0.06 0.32 -0.22 -0.00 0.00 0.00 179.45 179.74 1fi9 h LYS 73 N 0.09 1.12 0.05 0.07 3.64 -1.92 -1.84 116.57 117.79 1fi9 h LYS 73 Ca 0.37 -0.19 -0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1fi9 h LYS 73 Cb 1.31 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 1fi9 h LYS 73 CO -0.04 0.90 -0.02 1.88 -2.27 0.00 0.00 179.45 179.90 1fi9 h TYR 74 N 1.09 -0.06 -1.45 1.91 -1.99 -1.21 -3.44 116.97 111.82 1fi9 h TYR 74 Ca 0.26 -0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.95 1fi9 h TYR 74 Cb 0.18 0.02 -0.25 0.00 2.00 0.00 0.00 36.73 38.68 1fi9 h TYR 74 CO 0.02 0.10 -0.38 -1.50 -0.00 0.00 0.00 178.16 176.40 1fi9 s ILE 75 N -5.58 -0.80 -1.42 -2.88 1.10 -1.05 -5.07 121.20 105.50 1fi9 s ILE 75 Ca -0.14 -0.04 -0.10 0.00 -0.51 0.00 0.00 60.65 59.86 1fi9 s ILE 75 Cb 0.04 -0.91 -0.07 0.00 0.15 0.00 0.00 42.46 41.68 1fi9 s ILE 75 CO 0.66 -0.06 2.64 -0.81 -2.11 0.00 0.00 174.94 175.25 1fi9 n PRO 76 N 5.40 3.15 -2.55 3.50 -0.04 -0.72 -3.30 135.00 140.44 1fi9 n PRO 76 Ca -0.02 -2.09 -0.04 0.00 -0.04 0.00 0.00 63.50 61.31 1fi9 n PRO 76 Cb 0.51 -2.80 0.06 0.00 -0.04 0.00 0.00 33.50 31.22 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 3.74 0.49 0.27 0.55 0.00 -1.26 -5.03 105.19 103.94 1fi9 n GLY 77 Ca 0.67 -0.08 -0.02 0.00 0.00 0.00 0.00 46.02 46.59 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 -0.66 0.43 0.00 2.61 -1.04 -1.21 -4.79 114.28 109.62 1fi9 n THR 78 Ca -0.14 0.33 0.00 0.00 -2.04 0.00 0.00 64.05 62.20 1fi9 n THR 78 Cb 0.75 -1.61 0.00 0.00 -1.82 0.00 0.00 70.33 67.65 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 -3.01 0.00 -0.74 -2.82 2.85 -1.26 -5.13 118.16 108.05 1fi9 n LYS 79 Ca -0.03 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.23 1fi9 n LYS 79 Cb 0.12 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.50 1fi9 n LYS 79 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1fi9 n MET 80 N -2.28 -2.06 0.00 -1.58 0.00 -1.26 -5.06 117.12 104.88 1fi9 n MET 80 Ca 0.00 1.56 0.00 0.00 0.00 0.00 0.00 57.70 59.26 1fi9 n MET 80 Cb 0.00 -1.83 0.00 0.00 0.00 0.00 0.00 33.22 31.39 1fi9 n MET 80 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 175.97 176.41 1fi9 n ILE 81 N -1.40 0.00 -0.80 3.17 -5.35 -1.26 -5.06 119.36 108.66 1fi9 n ILE 81 Ca 0.00 0.00 -0.34 0.00 -0.27 0.00 0.00 62.75 62.14 1fi9 n ILE 81 Cb 0.09 0.00 0.12 0.00 -1.74 0.00 0.00 39.64 38.11 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 0.00 -1.90 -1.15 4.28 1.16 -1.26 -4.78 117.46 113.81 1fi9 n PHE 82 Ca 0.00 0.22 -0.37 0.00 -1.87 0.00 0.00 57.45 55.43 1fi9 n PHE 82 Cb 0.00 -1.60 -0.03 0.00 -1.61 0.00 0.00 39.48 36.24 1fi9 n PHE 82 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1fi9 n ALA 83 N -3.78 4.51 -1.00 1.98 0.00 -1.26 -4.81 120.51 116.15 1fi9 n ALA 83 Ca 0.02 -3.06 0.13 0.00 0.00 0.00 0.00 53.44 50.54 1fi9 n ALA 83 Cb 0.60 -3.41 -0.04 0.00 0.00 0.00 0.00 19.45 16.60 1fi9 n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fi9 n GLY 84 N 4.14 -2.05 0.00 0.00 0.00 -1.26 -4.69 105.19 101.34 1fi9 n GLY 84 Ca 0.51 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 -3.48 0.00 0.00 -0.61 2.08 -1.24 -4.89 119.36 111.22 1fi9 n ILE 85 Ca -0.01 1.07 0.00 0.00 0.56 0.00 0.00 62.75 64.38 1fi9 n ILE 85 Cb 0.46 -1.92 0.00 0.00 -0.75 0.00 0.00 39.64 37.43 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 -0.90 0.00 0.00 0.38 5.02 -1.26 -5.05 118.16 116.35 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 -0.04 0.00 0.00 -0.02 0.00 0.00 35.03 34.97 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 -2.40 0.00 0.00 1.97 2.85 -1.26 -5.05 118.16 114.27 1fi9 n LYS 87 Ca 0.00 0.00 0.07 0.00 -1.05 0.00 0.00 58.31 57.33 1fi9 n LYS 87 Cb 0.00 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.31 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 0.00 2.02 -0.01 -1.58 2.85 -1.26 -4.43 118.16 115.75 1fi9 n LYS 88 Ca 0.00 -0.11 -0.01 0.00 -1.05 0.00 0.00 58.31 57.15 1fi9 n LYS 88 Cb 0.00 -1.21 -0.00 0.00 -0.65 0.00 0.00 35.03 33.17 1fi9 n LYS 88 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1fi9 n THR 89 N -1.19 0.23 -0.28 0.58 -1.04 -1.26 -3.75 114.28 107.57 1fi9 n THR 89 Ca 0.03 0.45 0.09 0.00 -2.04 0.00 0.00 64.05 62.59 1fi9 n THR 89 Cb 0.25 -1.65 0.23 0.00 -1.82 0.00 0.00 70.33 67.34 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 -0.16 0.21 -0.80 -2.82 4.39 -1.98 0.39 114.58 113.81 1fi9 h GLU 90 Ca 0.00 -0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.72 1fi9 h GLU 90 Cb 0.08 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 28.64 1fi9 h GLU 90 CO 0.00 0.14 0.51 0.07 -1.16 0.00 0.00 179.01 178.57 1fi9 h ARG 91 N 0.22 0.95 -0.36 2.33 -0.00 -1.79 0.15 114.38 115.88 1fi9 h ARG 91 Ca 0.48 -0.06 0.00 0.00 -0.00 0.00 0.00 59.98 60.41 1fi9 h ARG 91 Cb 0.90 -0.21 -0.02 0.00 -0.00 0.00 0.00 29.97 30.64 1fi9 h ARG 91 CO -0.61 0.63 0.24 1.49 -0.00 0.00 0.00 179.97 181.72 1fi9 h GLU 92 N 0.98 0.48 -0.30 0.08 4.22 -0.39 -0.15 114.58 119.50 1fi9 h GLU 92 Ca 0.32 -0.03 0.03 0.00 0.08 0.00 0.00 59.36 59.76 1fi9 h GLU 92 Cb 0.02 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 1fi9 h GLU 92 CO -0.12 0.32 0.11 -0.44 -2.18 0.00 0.00 179.01 176.70 1fi9 h ASP 93 N 0.49 0.13 -0.32 1.04 3.32 -0.52 -1.26 116.42 119.30 1fi9 h ASP 93 Ca 0.13 0.03 0.05 0.00 0.02 0.00 0.00 57.03 57.26 1fi9 h ASP 93 Cb -0.05 0.01 -0.08 0.00 0.22 0.00 0.00 39.33 39.43 1fi9 h ASP 93 CO -0.03 0.11 -0.51 0.25 -1.72 0.00 0.00 179.24 177.34 1fi9 h LEU 94 N 0.25 -1.68 -0.70 1.55 6.46 -0.14 -1.17 115.31 119.88 1fi9 h LEU 94 Ca 0.13 0.22 0.15 0.00 -0.12 0.00 0.00 57.88 58.27 1fi9 h LEU 94 Cb 0.09 0.69 -0.12 0.00 -0.73 0.00 0.00 40.66 40.59 1fi9 h LEU 94 CO -0.13 -0.42 -0.01 0.40 -0.62 0.00 0.00 178.44 177.66 1fi9 h ILE 95 N -0.44 0.39 -0.42 4.05 5.03 -0.49 -0.27 117.51 125.37 1fi9 h ILE 95 Ca 0.08 -0.03 0.07 0.00 -0.12 0.00 0.00 64.86 64.85 1fi9 h ILE 95 Cb 0.62 0.28 -0.06 0.00 -3.03 0.00 0.00 36.82 34.64 1fi9 h ILE 95 CO -0.54 0.02 0.08 0.00 -0.68 0.00 0.00 178.15 177.03 1fi9 h ALA 96 N 1.65 0.45 0.84 1.87 0.00 -0.05 0.12 119.26 124.14 1fi9 h ALA 96 Ca 0.37 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.33 1fi9 h ALA 96 Cb 0.63 0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.55 1fi9 h ALA 96 CO -0.62 -0.33 -0.40 -0.92 0.00 0.00 0.00 179.25 176.98 1fi9 h TYR 97 N 0.20 -1.04 -1.00 0.00 3.20 -0.87 -3.25 116.97 114.21 1fi9 h TYR 97 Ca 0.21 -0.02 0.18 0.00 3.14 0.00 0.00 58.73 62.23 1fi9 h TYR 97 Cb 0.26 0.34 -0.18 0.00 1.54 0.00 0.00 36.73 38.69 1fi9 h TYR 97 CO -0.21 -0.65 -0.31 1.25 -1.64 0.00 0.00 178.16 176.60 1fi9 h LEU 98 N -1.20 -1.15 -0.71 2.82 6.46 -0.63 0.24 115.31 121.15 1fi9 h LEU 98 Ca -0.11 0.30 0.13 0.00 -0.12 0.00 0.00 57.88 58.08 1fi9 h LEU 98 Cb 0.86 0.68 -0.13 0.00 -0.73 0.00 0.00 40.66 41.34 1fi9 h LEU 98 CO 0.19 -0.31 -0.30 0.11 -0.62 0.00 0.00 178.44 177.50 1fi9 h LYS 99 N -0.00 -0.09 0.50 1.25 1.57 -0.82 0.28 116.57 119.26 1fi9 h LYS 99 Ca 0.42 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.18 1fi9 h LYS 99 Cb 0.67 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.01 1fi9 h LYS 99 CO -1.01 -0.06 -0.24 -0.22 -0.57 0.00 0.00 179.45 177.35 1fi9 h LYS 100 N -0.09 -0.64 -0.72 3.15 1.63 -0.71 -3.27 116.57 115.93 1fi9 h LYS 100 Ca 0.29 0.04 0.15 0.00 -0.85 0.00 0.00 60.65 60.28 1fi9 h LYS 100 Cb 0.56 0.15 -0.13 0.00 -0.60 0.00 0.00 32.23 32.20 1fi9 h LYS 100 CO -0.76 -0.43 -0.14 0.00 -3.45 0.00 0.00 179.45 174.67 1fi9 h ALA 101 N -1.37 0.54 -0.68 5.00 0.00 -0.01 0.52 119.26 123.27 1fi9 h ALA 101 Ca -0.07 0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1fi9 h ALA 101 Cb 0.51 0.51 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1fi9 h ALA 101 CO 0.11 -0.42 0.44 1.79 0.00 0.00 0.00 179.25 181.17 1fi9 h THR 102 N 0.02 1.18 0.63 0.00 1.35 -1.13 -3.16 112.91 111.80 1fi9 h THR 102 Ca 0.36 -0.34 -0.03 0.00 -0.55 0.00 0.00 66.41 65.84 1fi9 h THR 102 Cb 0.56 0.20 0.01 0.00 -1.73 0.00 0.00 68.15 67.19 1fi9 h THR 102 CO -0.71 0.18 -0.30 -1.13 -0.25 0.00 0.00 175.52 173.30 1fi9 h ASN 103 N 0.92 -0.72 0.00 5.36 -0.73 -0.16 -2.65 115.58 117.60 1fi9 h ASN 103 Ca 0.25 0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.44 1fi9 h ASN 103 Cb -0.09 0.19 0.00 0.00 0.27 0.00 0.00 38.32 38.69 1fi9 h ASN 103 CO -0.05 -0.42 0.00 -0.62 -0.37 0.00 0.00 177.43 175.96