#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fi9 s ASP 2 N 0.00 6.83 0.22 1.61 2.15 -1.26 -4.69 116.67 121.53 1fi9 s ASP 2 Ca 0.00 1.92 -0.09 0.00 0.43 0.00 0.00 52.55 54.81 1fi9 s ASP 2 Cb 0.00 -2.54 0.17 0.00 -0.30 0.00 0.00 42.92 40.26 1fi9 s ASP 2 CO 0.00 -0.83 1.84 0.58 -0.17 0.00 0.00 175.17 176.59 1fi9 h VAL 3 N 5.52 1.24 0.70 1.11 2.07 -1.84 0.17 116.25 125.21 1fi9 h VAL 3 Ca -0.32 -0.59 -0.03 0.00 0.82 0.00 0.00 66.70 66.58 1fi9 h VAL 3 Cb 1.13 0.14 0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1fi9 h VAL 3 CO 0.96 0.27 -0.34 -0.33 0.02 0.00 0.00 177.57 178.15 1fi9 h GLU 4 N 1.13 -0.90 -0.79 1.57 4.39 -1.91 0.15 114.58 118.22 1fi9 h GLU 4 Ca 0.29 0.06 0.07 0.00 0.34 0.00 0.00 59.36 60.12 1fi9 h GLU 4 Cb 0.03 0.21 -0.06 0.00 -0.10 0.00 0.00 28.75 28.82 1fi9 h GLU 4 CO -0.05 -0.60 0.47 0.87 -1.16 0.00 0.00 179.01 178.54 1fi9 h LYS 5 N -1.16 0.82 -0.74 2.33 1.57 -1.92 -0.92 116.57 116.55 1fi9 h LYS 5 Ca -0.10 -0.05 0.17 0.00 -1.87 0.00 0.00 60.65 58.80 1fi9 h LYS 5 Cb 0.72 -0.18 -0.12 0.00 0.08 0.00 0.00 32.23 32.72 1fi9 h LYS 5 CO 0.16 0.54 0.10 0.78 -0.57 0.00 0.00 179.45 180.46 1fi9 h GLY 6 N 0.84 0.93 0.90 3.86 0.00 -0.51 0.42 103.07 109.52 1fi9 h GLY 6 Ca 0.35 0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.71 1fi9 h GLY 6 CO -0.19 -0.25 -0.16 1.70 0.00 0.00 0.00 176.54 177.64 1fi9 h LYS 7 N 0.18 -0.38 -0.34 4.80 3.64 0.41 -1.04 116.57 123.84 1fi9 h LYS 7 Ca 0.41 0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.70 1fi9 h LYS 7 Cb 0.72 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.62 1fi9 h LYS 7 CO -0.58 -0.25 -0.28 0.87 -2.27 0.00 0.00 179.45 176.94 1fi9 h LYS 8 N -0.39 0.71 0.35 1.90 1.79 -0.63 -2.69 116.57 117.61 1fi9 h LYS 8 Ca -0.02 -0.31 -0.00 0.00 -2.18 0.00 0.00 60.65 58.14 1fi9 h LYS 8 Cb 0.33 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.94 1fi9 h LYS 8 CO 0.01 0.91 -0.37 0.82 -1.08 0.00 0.00 179.45 179.74 1fi9 h ILE 9 N 0.61 0.25 -0.75 1.86 2.04 0.02 0.30 117.51 121.84 1fi9 h ILE 9 Ca 0.08 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.11 1fi9 h ILE 9 Cb 0.78 0.25 -0.13 0.00 -0.74 0.00 0.00 36.82 36.98 1fi9 h ILE 9 CO 0.06 0.00 0.03 0.15 0.00 0.00 0.00 178.15 178.39 1fi9 h PHE 10 N -0.75 -0.01 -0.06 1.37 3.57 -1.09 0.46 116.94 120.43 1fi9 h PHE 10 Ca -0.02 0.05 -0.07 0.00 3.53 0.00 0.00 57.97 61.46 1fi9 h PHE 10 Cb 0.68 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.53 1fi9 h PHE 10 CO -0.22 -0.22 -0.28 0.28 -2.23 0.00 0.00 178.31 175.64 1fi9 h VAL 11 N 0.12 1.23 0.00 1.41 2.07 -1.02 0.53 116.25 120.59 1fi9 h VAL 11 Ca 0.41 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.85 1fi9 h VAL 11 Cb 0.73 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 1fi9 h VAL 11 CO -0.65 0.32 -0.95 0.00 0.02 0.00 0.00 177.57 176.32 1fi9 n GLN 12 N -4.17 0.20 -0.06 1.57 1.13 0.97 -4.48 117.38 112.53 1fi9 n GLN 12 Ca -0.02 -0.01 -0.09 0.00 -1.94 0.00 0.00 57.00 54.95 1fi9 n GLN 12 Cb 0.36 -1.56 -0.03 0.00 0.11 0.00 0.00 30.24 29.12 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 -1.81 0.42 0.00 -1.09 4.01 0.14 -5.00 118.16 114.83 1fi9 n LYS 13 Ca 0.03 0.17 -0.01 0.00 -0.51 0.00 0.00 58.31 57.98 1fi9 n LYS 13 Cb 0.40 -1.23 -0.00 0.00 -0.51 0.00 0.00 35.03 33.69 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 -3.13 0.00 -1.09 0.00 0.00 -0.62 -2.60 120.51 113.07 1fi9 n ALA 15 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.14 1fi9 n ALA 15 Cb 0.08 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.46 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 2.88 0.00 0.00 6.02 -1.26 -3.00 117.38 122.02 1fi9 n GLN 16 Ca 0.00 -1.70 0.00 0.00 -0.01 0.00 0.00 57.00 55.29 1fi9 n GLN 16 Cb 0.00 -2.50 0.00 0.00 1.02 0.00 0.00 30.24 28.76 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 -1.74 2.91 0.02 0.00 3.76 -1.16 -0.34 115.29 118.73 1fi9 s HIS 18 Ca 0.00 -0.15 0.03 0.00 -0.15 0.00 0.00 55.06 54.79 1fi9 s HIS 18 Cb 0.00 -1.32 -0.01 0.00 1.11 0.00 0.00 32.58 32.36 1fi9 s HIS 18 CO 0.00 0.56 -0.10 0.99 -0.85 0.00 0.00 174.74 175.34 1fi9 s THR 19 N -2.15 0.77 -0.35 1.30 2.01 -1.26 -4.26 115.64 111.69 1fi9 s THR 19 Ca 0.32 -0.68 0.12 0.00 0.31 0.00 0.00 61.69 61.76 1fi9 s THR 19 Cb -0.07 -0.70 0.45 0.00 0.01 0.00 0.00 72.50 72.19 1fi9 s THR 19 CO 0.22 0.03 1.08 1.33 -0.69 0.00 0.00 174.62 176.58 1fi9 n VAL 20 N 2.33 1.83 -4.32 3.82 0.24 -1.26 0.15 118.33 121.12 1fi9 n VAL 20 Ca -0.16 -3.97 -0.17 0.00 -2.04 0.00 0.00 64.34 58.00 1fi9 n VAL 20 Cb 0.56 -0.31 -0.10 0.00 -1.47 0.00 0.00 33.84 32.52 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 -3.46 1.29 0.00 7.34 4.04 -1.26 -4.14 118.70 122.52 1fi9 s GLU 21 Ca 0.39 -1.63 0.00 0.00 0.04 0.00 0.00 54.97 53.77 1fi9 s GLU 21 Cb 0.41 -0.65 0.00 0.00 0.02 0.00 0.00 34.13 33.91 1fi9 s GLU 21 CO -0.06 -0.05 1.46 0.36 -1.84 0.00 0.00 175.26 175.13 1fi9 n LYS 22 N -0.38 0.86 -0.37 -4.83 -0.00 -1.26 -2.83 118.16 109.35 1fi9 n LYS 22 Ca -0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.24 1fi9 n LYS 22 Cb 0.63 -1.07 -0.01 0.00 -0.00 0.00 0.00 35.03 34.58 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 1.28 0.42 3.67 2.58 0.00 -1.26 -5.12 105.19 106.76 1fi9 n GLY 23 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.11 1.55 0.97 -0.02 0.00 -1.13 -5.00 107.32 103.58 1fi9 s GLY 24 Ca 0.00 1.06 -0.16 0.00 0.00 0.00 0.00 44.72 45.63 1fi9 s GLY 24 CO 0.00 3.01 1.27 0.54 0.00 0.00 0.00 173.10 177.93 1fi9 s LYS 25 N 3.56 0.59 0.00 2.90 1.02 -1.26 -4.66 119.74 121.89 1fi9 s LYS 25 Ca 0.75 -0.27 0.00 0.00 0.02 0.00 0.00 55.97 56.46 1fi9 s LYS 25 Cb -0.36 -1.83 0.00 0.00 -0.52 0.00 0.00 37.83 35.12 1fi9 s LYS 25 CO 0.32 -2.47 0.93 0.72 -0.92 0.00 0.00 175.35 173.93 1fi9 n HIS 26 N -3.84 0.00 -3.15 3.18 8.25 -1.26 -4.23 115.22 114.18 1fi9 n HIS 26 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.60 1fi9 n HIS 26 Cb 0.60 -0.43 0.00 0.00 1.12 0.00 0.00 29.99 31.27 1fi9 n HIS 26 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1fi9 n LYS 27 N -1.87 0.00 -0.08 -0.41 5.02 -1.26 -4.21 118.16 115.34 1fi9 n LYS 27 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.17 1fi9 n LYS 27 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 34.96 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 0.00 1.46 -2.57 -0.18 -1.04 -1.26 -4.84 114.28 105.86 1fi9 n THR 28 Ca 0.00 0.12 -0.43 0.00 -2.04 0.00 0.00 64.05 61.70 1fi9 n THR 28 Cb 0.00 -2.25 -0.02 0.00 -1.82 0.00 0.00 70.33 66.24 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 -4.50 1.35 -1.40 3.41 0.00 0.54 -4.92 107.32 101.80 1fi9 s GLY 29 Ca -0.21 -0.27 -0.13 0.00 0.00 0.00 0.00 44.72 44.12 1fi9 s GLY 29 CO 0.37 2.43 2.10 -1.55 0.00 0.00 0.00 173.10 176.45 1fi9 n PRO 30 N 7.56 3.10 -2.98 2.90 -0.04 -1.26 -4.18 135.00 140.09 1fi9 n PRO 30 Ca 0.13 -2.91 -0.26 0.00 -0.04 0.00 0.00 63.50 60.43 1fi9 n PRO 30 Cb 0.48 -3.18 0.03 0.00 -0.04 0.00 0.00 33.50 30.78 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 5.48 -4.66 0.27 3.54 5.15 -1.26 -4.76 115.26 119.02 1fi9 n ASN 31 Ca 0.48 -0.04 0.15 0.00 -0.60 0.00 0.00 54.58 54.58 1fi9 n ASN 31 Cb 0.38 -1.30 0.73 0.00 -0.53 0.00 0.00 39.78 39.07 1fi9 n ASN 31 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 1fi9 h LEU 32 N 2.02 0.00 -8.81 1.20 6.46 -0.55 -3.41 115.31 112.22 1fi9 h LEU 32 Ca -0.37 0.00 -0.84 0.00 -0.12 0.00 0.00 57.88 56.55 1fi9 h LEU 32 Cb 1.09 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.02 1fi9 h LEU 32 CO 0.15 0.00 0.86 1.57 -0.62 0.00 0.00 178.44 180.40 1fi9 n HIS 33 N -3.04 1.68 -0.06 1.25 -0.00 -1.24 -1.14 115.22 112.67 1fi9 n HIS 33 Ca 0.01 0.98 0.00 0.00 0.46 0.00 0.00 57.72 59.16 1fi9 n HIS 33 Cb 0.50 -2.28 0.00 0.00 -0.12 0.00 0.00 29.99 28.09 1fi9 n HIS 33 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1fi9 n GLY 34 N 4.78 0.97 0.00 1.57 0.00 -1.12 -5.04 105.19 106.35 1fi9 n GLY 34 Ca 0.35 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.33 1fi9 n GLY 34 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1fi9 n LEU 35 N 0.00 0.39 -4.65 0.99 7.94 -0.29 -4.33 117.00 117.05 1fi9 n LEU 35 Ca 0.00 0.62 -0.42 0.00 -1.11 0.00 0.00 56.01 55.10 1fi9 n LEU 35 Cb 0.00 -0.25 -0.03 0.00 0.53 0.00 0.00 43.42 43.67 1fi9 n LEU 35 CO 0.00 -0.25 1.61 -0.36 -1.11 0.00 0.00 177.39 177.27 1fi9 s PHE 36 N -1.61 1.39 0.00 1.96 0.08 -1.26 -2.17 117.98 116.37 1fi9 s PHE 36 Ca 0.00 -0.14 0.00 0.00 0.12 0.00 0.00 56.93 56.91 1fi9 s PHE 36 Cb 0.00 -4.13 0.00 0.00 -0.57 0.00 0.00 43.02 38.32 1fi9 s PHE 36 CO 0.00 -4.94 0.00 0.41 -0.10 0.00 0.00 175.22 170.59 1fi9 n GLY 37 N 4.73 0.97 3.78 4.36 0.00 -0.94 -4.99 105.19 113.09 1fi9 n GLY 37 Ca 0.21 -0.25 -0.08 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.84 1.81 0.48 1.61 3.52 -0.92 -5.04 118.95 118.55 1fi9 s ARG 38 Ca 0.00 -1.14 0.06 0.00 -0.13 0.00 0.00 55.73 54.52 1fi9 s ARG 38 Cb 0.00 0.58 0.03 0.00 -1.56 0.00 0.00 34.95 33.99 1fi9 s ARG 38 CO 0.00 -0.81 0.65 0.15 -0.81 0.00 0.00 175.30 174.48 1fi9 s LYS 39 N -3.68 2.68 0.01 5.12 1.02 -1.26 -2.12 119.74 121.50 1fi9 s LYS 39 Ca 0.15 -1.14 -0.25 0.00 0.02 0.00 0.00 55.97 54.74 1fi9 s LYS 39 Cb -0.05 -2.66 -0.15 0.00 -0.52 0.00 0.00 37.83 34.45 1fi9 s LYS 39 CO 0.09 -0.47 1.10 1.79 -0.92 0.00 0.00 175.35 176.93 1fi9 h THR 40 N 0.42 0.16 -0.08 2.17 1.35 -1.78 -3.34 112.91 111.79 1fi9 h THR 40 Ca -0.40 -0.39 -0.16 0.00 -0.55 0.00 0.00 66.41 64.92 1fi9 h THR 40 Cb 1.28 0.22 -0.06 0.00 -1.73 0.00 0.00 68.15 67.87 1fi9 h THR 40 CO 0.46 0.03 -0.20 0.61 -0.25 0.00 0.00 175.52 176.17 1fi9 n GLY 41 N -0.49 2.97 2.62 5.82 0.00 -1.24 -4.64 105.19 110.23 1fi9 n GLY 41 Ca -0.11 -0.89 -0.29 0.00 0.00 0.00 0.00 46.02 44.73 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 0.44 0.55 0.12 1.61 -0.21 -1.26 -4.96 119.66 115.96 1fi9 s GLN 42 Ca 0.46 -1.00 0.03 0.00 0.02 0.00 0.00 55.36 54.87 1fi9 s GLN 42 Cb 0.23 -1.62 -0.04 0.00 1.00 0.00 0.00 33.01 32.58 1fi9 s GLN 42 CO -0.01 -1.05 -0.09 0.00 -2.12 0.00 0.00 175.29 172.02 1fi9 s ALA 43 N 1.59 1.21 -0.02 6.09 0.00 -1.26 -4.92 121.76 124.46 1fi9 s ALA 43 Ca 0.11 -1.39 -0.05 0.00 0.00 0.00 0.00 51.96 50.64 1fi9 s ALA 43 Cb -0.18 0.09 -0.02 0.00 0.00 0.00 0.00 23.12 23.00 1fi9 s ALA 43 CO -0.23 -0.15 0.40 -1.00 0.00 0.00 0.00 175.76 174.78 1fi9 h PRO 44 N 2.95 -0.16 -0.38 0.00 0.13 -1.99 -3.43 132.00 129.12 1fi9 h PRO 44 Ca -0.36 0.01 -0.24 0.00 -0.87 0.00 0.00 66.00 64.54 1fi9 h PRO 44 Cb 1.18 0.04 -0.30 0.00 0.13 0.00 0.00 31.00 32.04 1fi9 h PRO 44 CO 0.63 -0.10 -0.82 0.41 -0.23 0.00 0.00 178.00 177.88 1fi9 n GLY 45 N 0.86 1.74 3.95 1.56 0.00 -1.26 -5.11 105.19 106.92 1fi9 n GLY 45 Ca -0.02 -0.76 -0.22 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.15 3.41 -0.69 1.61 5.36 -1.26 -5.08 117.98 119.18 1fi9 s PHE 46 Ca 0.22 -0.00 -0.15 0.00 -0.96 0.00 0.00 56.93 56.03 1fi9 s PHE 46 Cb 0.39 -1.57 0.17 0.00 -0.34 0.00 0.00 43.02 41.68 1fi9 s PHE 46 CO -0.05 0.47 0.64 0.95 -1.46 0.00 0.00 175.22 175.77 1fi9 s THR 47 N -1.94 5.41 0.15 0.12 -4.23 -1.26 -4.94 115.64 108.94 1fi9 s THR 47 Ca 0.34 -1.99 -0.24 0.00 -1.18 0.00 0.00 61.69 58.63 1fi9 s THR 47 Cb -0.09 -4.41 -0.08 0.00 1.34 0.00 0.00 72.50 69.26 1fi9 s THR 47 CO 0.28 -0.96 0.73 -0.31 -0.54 0.00 0.00 174.62 173.82 1fi9 s TYR 48 N 0.90 3.87 0.87 3.99 2.02 -1.26 -5.07 117.35 122.66 1fi9 s TYR 48 Ca 0.11 1.54 -0.12 0.00 -0.37 0.00 0.00 57.07 58.23 1fi9 s TYR 48 Cb -0.20 -2.70 0.11 0.00 -0.40 0.00 0.00 41.96 38.78 1fi9 s TYR 48 CO -0.03 0.52 1.10 -0.08 -1.57 0.00 0.00 175.55 175.48 1fi9 s THR 49 N -1.17 2.70 0.00 -0.71 -1.32 -1.26 -4.78 115.64 109.09 1fi9 s THR 49 Ca 0.35 0.23 0.00 0.00 -1.21 0.00 0.00 61.69 61.06 1fi9 s THR 49 Cb -0.22 -2.84 0.00 0.00 -1.51 0.00 0.00 72.50 67.93 1fi9 s THR 49 CO 0.24 -0.30 0.61 0.47 -2.21 0.00 0.00 174.62 173.44 1fi9 n ASP 50 N -3.72 1.82 0.05 8.08 8.00 -1.26 -2.35 116.55 127.17 1fi9 n ASP 50 Ca 0.07 -1.20 0.00 0.00 0.71 0.00 0.00 54.79 54.37 1fi9 n ASP 50 Cb 0.56 -0.31 0.00 0.00 -0.02 0.00 0.00 41.12 41.35 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 0.78 3.00 0.10 2.24 0.00 -1.26 -4.56 120.51 120.81 1fi9 n ALA 51 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1fi9 n ALA 51 Cb 0.29 0.26 -0.08 0.00 0.00 0.00 0.00 19.45 19.92 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 -0.17 0.44 0.00 -1.24 -1.84 -0.17 115.58 112.60 1fi9 h ASN 52 Ca 0.00 -0.08 0.00 0.00 0.71 0.00 0.00 56.30 56.93 1fi9 h ASN 52 Cb 0.19 0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.28 1fi9 h ASN 52 CO 0.00 -0.02 0.00 0.11 -1.29 0.00 0.00 177.43 176.23 1fi9 h LYS 53 N -0.31 0.00 -0.01 6.67 1.57 -1.75 -1.43 116.57 121.31 1fi9 h LYS 53 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1fi9 h LYS 53 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1fi9 h LYS 53 CO 0.03 0.00 -0.38 -1.71 -0.57 0.00 0.00 179.45 176.82 1fi9 n ASN 54 N -2.52 1.28 -0.06 0.86 2.85 -0.39 -4.55 115.26 112.73 1fi9 n ASN 54 Ca -0.00 -1.03 -0.03 0.00 -0.11 0.00 0.00 54.58 53.41 1fi9 n ASN 54 Cb 0.16 0.29 -0.01 0.00 1.24 0.00 0.00 39.78 41.46 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 1.41 0.00 -1.50 1.20 3.64 0.06 -3.49 116.57 117.89 1fi9 h LYS 55 Ca 0.00 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 59.07 1fi9 h LYS 55 Cb 0.58 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.33 1fi9 h LYS 55 CO 0.00 0.00 -0.34 0.41 -2.27 0.00 0.00 179.45 177.25 1fi9 n GLY 56 N 1.69 0.59 3.84 5.01 0.00 -1.25 -5.01 105.19 110.06 1fi9 n GLY 56 Ca -0.04 -0.27 -0.35 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.67 4.79 0.68 -0.61 -4.36 -1.26 -4.78 121.20 112.99 1fi9 s ILE 57 Ca 0.00 0.92 -0.11 0.00 -0.26 0.00 0.00 60.65 61.21 1fi9 s ILE 57 Cb 0.00 -3.76 -0.01 0.00 1.25 0.00 0.00 42.46 39.95 1fi9 s ILE 57 CO 0.00 0.23 1.05 0.42 0.24 0.00 0.00 174.94 176.89 1fi9 s THR 58 N -1.48 4.20 -0.21 8.37 -4.23 -1.26 -2.64 115.64 118.40 1fi9 s THR 58 Ca 0.39 0.72 -0.03 0.00 -1.18 0.00 0.00 61.69 61.58 1fi9 s THR 58 Cb -0.15 -3.54 -0.01 0.00 1.34 0.00 0.00 72.50 70.14 1fi9 s THR 58 CO 0.19 -0.93 -0.05 0.26 -0.54 0.00 0.00 174.62 173.55 1fi9 s TRP 59 N -3.09 2.95 -0.31 3.99 0.52 -0.90 -4.72 118.94 117.37 1fi9 s TRP 59 Ca 0.57 -0.84 0.17 0.00 0.02 0.00 0.00 56.10 56.02 1fi9 s TRP 59 Cb -0.13 -2.07 0.45 0.00 -1.15 0.00 0.00 33.47 30.57 1fi9 s TRP 59 CO 0.55 -0.46 1.31 0.36 0.02 0.00 0.00 176.95 178.73 1fi9 n LYS 60 N 4.55 1.47 0.00 4.98 2.85 -1.26 -2.22 118.16 128.52 1fi9 n LYS 60 Ca -0.18 -2.32 0.00 0.00 -1.05 0.00 0.00 58.31 54.76 1fi9 n LYS 60 Cb 0.51 -0.54 0.00 0.00 -0.65 0.00 0.00 35.03 34.35 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 -0.97 0.00 -0.03 -1.58 0.28 -1.26 -4.63 120.64 112.45 1fi9 n GLU 61 Ca -0.05 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 56.85 1fi9 n GLU 61 Cb 0.84 -0.40 -0.04 0.00 1.43 0.00 0.00 31.44 33.28 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 0.20 0.39 3.44 4.81 -1.95 0.26 114.58 121.73 1fi9 h GLU 62 Ca 0.00 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1fi9 h GLU 62 Cb 0.00 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.34 1fi9 h GLU 62 CO 0.00 0.13 -0.19 1.79 -0.73 0.00 0.00 179.01 180.01 1fi9 h THR 63 N 0.20 0.59 -0.91 0.32 1.35 -1.84 -3.15 112.91 109.46 1fi9 h THR 63 Ca 0.07 -0.42 0.08 0.00 -0.55 0.00 0.00 66.41 65.58 1fi9 h THR 63 Cb 0.00 0.79 -0.07 0.00 -1.73 0.00 0.00 68.15 67.14 1fi9 h THR 63 CO -0.04 0.08 0.57 0.17 -0.25 0.00 0.00 175.52 176.05 1fi9 h LEU 64 N -0.78 0.88 -0.87 3.87 -0.00 -1.88 -1.20 115.31 115.34 1fi9 h LEU 64 Ca -0.05 0.02 0.23 0.00 -0.00 0.00 0.00 57.88 58.08 1fi9 h LEU 64 Cb 0.52 -0.16 -0.15 0.00 -0.00 0.00 0.00 40.66 40.88 1fi9 h LEU 64 CO 0.09 0.54 0.14 0.24 -0.00 0.00 0.00 178.44 179.45 1fi9 h MET 65 N 1.01 0.13 0.07 0.17 2.86 -0.43 0.17 114.93 118.91 1fi9 h MET 65 Ca 0.41 -0.01 -0.12 0.00 -2.06 0.00 0.00 59.70 57.92 1fi9 h MET 65 Cb 0.24 -0.03 0.01 0.00 0.06 0.00 0.00 31.60 31.88 1fi9 h MET 65 CO -0.20 0.09 -0.55 0.93 1.06 0.00 0.00 176.91 178.24 1fi9 h GLU 66 N 0.14 0.15 -0.38 1.72 5.08 -1.48 -3.31 114.58 116.50 1fi9 h GLU 66 Ca 0.53 -0.26 0.08 0.00 -1.00 0.00 0.00 59.36 58.70 1fi9 h GLU 66 Cb 1.04 0.10 -0.07 0.00 0.50 0.00 0.00 28.75 30.32 1fi9 h GLU 66 CO -0.71 1.13 -0.09 -0.92 -1.00 0.00 0.00 179.01 177.41 1fi9 h TYR 67 N -0.66 -0.20 0.00 4.33 3.20 -0.05 0.28 116.97 123.87 1fi9 h TYR 67 Ca -0.11 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.80 1fi9 h TYR 67 Cb 1.37 0.15 0.00 0.00 1.54 0.00 0.00 36.73 39.79 1fi9 h TYR 67 CO 0.22 -0.16 0.00 1.28 -1.64 0.00 0.00 178.16 177.86 1fi9 n LEU 68 N -5.29 0.48 -0.35 2.82 4.77 0.50 -1.18 117.00 118.75 1fi9 n LEU 68 Ca 0.02 0.67 0.06 0.00 -0.03 0.00 0.00 56.01 56.73 1fi9 n LEU 68 Cb 0.21 -0.67 0.13 0.00 -2.33 0.00 0.00 43.42 40.77 1fi9 n LEU 68 CO 0.16 -0.69 0.60 1.21 -1.33 0.00 0.00 177.39 177.34 1fi9 n GLU 69 N -2.09 2.41 -2.65 3.23 0.00 0.67 -2.84 120.64 119.36 1fi9 n GLU 69 Ca 0.00 -2.26 -0.03 0.00 0.00 0.00 0.00 57.16 54.87 1fi9 n GLU 69 Cb 0.11 -1.41 0.11 0.00 0.00 0.00 0.00 31.44 30.25 1fi9 n GLU 69 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1fi9 n ASN 70 N -0.62 -1.05 -0.05 4.31 3.02 0.53 -4.56 115.26 116.84 1fi9 n ASN 70 Ca 0.12 -1.57 -0.12 0.00 -0.03 0.00 0.00 54.58 52.98 1fi9 n ASN 70 Cb 0.56 0.91 -0.07 0.00 -0.61 0.00 0.00 39.78 40.57 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 2.28 0.29 -2.18 3.52 0.13 -1.40 -3.12 132.00 131.52 1fi9 h PRO 71 Ca -0.33 -0.12 -0.14 0.00 -0.87 0.00 0.00 66.00 64.54 1fi9 h PRO 71 Cb 1.23 -0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.30 1fi9 h PRO 71 CO -0.09 0.60 -0.20 0.36 -0.23 0.00 0.00 178.00 178.44 1fi9 n LYS 72 N -4.68 1.56 0.14 0.86 0.00 -1.26 -3.79 118.16 110.99 1fi9 n LYS 72 Ca -0.06 -0.75 0.00 0.00 -0.00 0.00 0.00 58.31 57.50 1fi9 n LYS 72 Cb 0.28 -1.85 0.00 0.00 -0.00 0.00 0.00 35.03 33.46 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 2.53 0.00 -0.17 -1.58 4.81 -1.18 -4.87 118.16 117.70 1fi9 n LYS 73 Ca 0.32 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.75 1fi9 n LYS 73 Cb 0.72 0.00 0.06 0.00 0.02 0.00 0.00 35.03 35.83 1fi9 n LYS 73 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 1fi9 h TYR 74 N 0.00 -0.09 -1.37 5.64 -1.99 -1.68 -3.41 116.97 114.07 1fi9 h TYR 74 Ca 0.00 0.04 0.07 0.00 2.00 0.00 0.00 58.73 60.84 1fi9 h TYR 74 Cb 0.00 0.12 -0.22 0.00 2.00 0.00 0.00 36.73 38.64 1fi9 h TYR 74 CO 0.00 -0.15 -0.25 -1.50 -0.00 0.00 0.00 178.16 176.26 1fi9 s ILE 75 N -6.18 -0.96 -1.29 -2.88 1.10 -1.26 -5.06 121.20 104.67 1fi9 s ILE 75 Ca -0.14 0.00 -0.09 0.00 -0.51 0.00 0.00 60.65 59.92 1fi9 s ILE 75 Cb 0.17 -0.98 -0.07 0.00 0.15 0.00 0.00 42.46 41.73 1fi9 s ILE 75 CO 0.72 -0.01 2.53 -0.81 -2.11 0.00 0.00 174.94 175.27 1fi9 n PRO 76 N 5.43 2.90 -1.17 3.50 -0.04 -1.26 -3.45 135.00 140.91 1fi9 n PRO 76 Ca -0.04 -1.90 -0.00 0.00 -0.04 0.00 0.00 63.50 61.52 1fi9 n PRO 76 Cb 0.50 -2.68 -0.01 0.00 -0.04 0.00 0.00 33.50 31.27 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 3.72 0.78 0.00 0.55 0.00 -1.26 -5.10 105.19 103.89 1fi9 n GLY 77 Ca 0.62 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 0.25 0.00 -3.14 2.61 5.66 -1.22 -4.59 114.28 113.84 1fi9 n THR 78 Ca -0.06 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.72 1fi9 n THR 78 Cb 0.91 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.65 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 0.00 1.67 -1.14 1.09 2.85 -1.26 -5.12 118.16 116.26 1fi9 n LYS 79 Ca 0.00 -3.86 -0.35 0.00 -1.05 0.00 0.00 58.31 53.05 1fi9 n LYS 79 Cb 0.00 -1.82 0.09 0.00 -0.65 0.00 0.00 35.03 32.65 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 0.35 0.17 0.00 -1.58 0.00 -1.26 -4.97 117.12 109.84 1fi9 n MET 80 Ca 0.26 0.11 0.00 0.00 0.00 0.00 0.00 57.70 58.08 1fi9 n MET 80 Cb 0.55 -2.01 0.00 0.00 0.00 0.00 0.00 33.22 31.75 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 -2.86 0.00 -4.49 3.17 -5.35 -1.26 -5.06 119.36 103.52 1fi9 n ILE 81 Ca 0.10 0.00 -0.25 0.00 -0.27 0.00 0.00 62.75 62.34 1fi9 n ILE 81 Cb 0.51 -0.25 -0.08 0.00 -1.74 0.00 0.00 39.64 38.07 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 -1.47 1.78 0.04 4.28 -0.12 -1.26 -5.08 117.98 116.15 1fi9 s PHE 82 Ca 0.00 -1.30 -0.33 0.00 -0.05 0.00 0.00 56.93 55.25 1fi9 s PHE 82 Cb 0.00 -1.12 -0.18 0.00 -0.63 0.00 0.00 43.02 41.09 1fi9 s PHE 82 CO 0.00 -0.34 1.39 0.00 -0.05 0.00 0.00 175.22 176.22 1fi9 h ALA 83 N 1.85 -1.22 -2.43 1.99 0.00 -1.95 -3.44 119.26 114.06 1fi9 h ALA 83 Ca -0.35 -0.26 0.08 0.00 0.00 0.00 0.00 54.91 54.38 1fi9 h ALA 83 Cb 1.27 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 19.51 1fi9 h ALA 83 CO 0.56 -1.13 0.38 0.41 0.00 0.00 0.00 179.25 179.46 1fi9 n GLY 84 N -1.29 0.90 0.00 0.00 0.00 -1.26 -3.28 105.19 100.26 1fi9 n GLY 84 Ca -0.15 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.50 0.00 0.11 -0.61 2.08 -1.13 -4.93 119.36 114.38 1fi9 n ILE 85 Ca -0.03 0.83 0.00 0.00 0.56 0.00 0.00 62.75 64.11 1fi9 n ILE 85 Cb 0.44 -1.62 0.00 0.00 -0.75 0.00 0.00 39.64 37.71 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 -0.47 0.00 0.00 0.38 5.02 -1.26 -5.06 118.16 116.77 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 -3.22 0.00 -0.07 1.97 2.85 -1.26 -5.07 118.16 113.36 1fi9 n LYS 87 Ca 0.00 0.00 -0.15 0.00 -1.05 0.00 0.00 58.31 57.11 1fi9 n LYS 87 Cb 0.00 0.00 -0.14 0.00 -0.65 0.00 0.00 35.03 34.24 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 0.68 0.16 -1.58 2.85 -1.26 -4.31 118.16 114.70 1fi9 n LYS 88 Ca 0.00 0.16 -0.07 0.00 -1.05 0.00 0.00 58.31 57.35 1fi9 n LYS 88 Cb 0.00 -1.61 -0.03 0.00 -0.65 0.00 0.00 35.03 32.74 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 0.02 0.00 -0.88 0.58 2.02 -1.99 -2.99 112.91 109.67 1fi9 h THR 89 Ca -0.49 -0.21 0.12 0.00 0.77 0.00 0.00 66.41 66.60 1fi9 h THR 89 Cb 2.04 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 68.37 1fi9 h THR 89 CO 0.01 0.00 0.50 -0.33 0.37 0.00 0.00 175.52 176.07 1fi9 h GLU 90 N -0.64 0.76 -0.40 6.66 3.07 -1.98 0.12 114.58 122.16 1fi9 h GLU 90 Ca -0.04 -0.05 0.04 0.00 -0.50 0.00 0.00 59.36 58.82 1fi9 h GLU 90 Cb 0.33 -0.17 -0.04 0.00 -0.84 0.00 0.00 28.75 28.03 1fi9 h GLU 90 CO 0.07 0.50 0.16 0.07 -1.40 0.00 0.00 179.01 178.41 1fi9 h ARG 91 N 0.78 0.32 -0.72 2.33 0.11 -1.75 0.12 114.38 115.56 1fi9 h ARG 91 Ca 0.45 -0.02 -0.02 0.00 0.10 0.00 0.00 59.98 60.49 1fi9 h ARG 91 Cb 0.50 -0.07 -0.03 0.00 1.11 0.00 0.00 29.97 31.48 1fi9 h ARG 91 CO -0.29 0.21 0.38 0.93 0.10 0.00 0.00 179.97 181.30 1fi9 h GLU 92 N 0.33 1.02 -0.54 0.08 4.39 -0.76 -1.15 114.58 117.95 1fi9 h GLU 92 Ca 0.18 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1fi9 h GLU 92 Cb 0.15 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 28.58 1fi9 h GLU 92 CO -0.17 0.78 0.35 -0.44 -1.16 0.00 0.00 179.01 178.36 1fi9 h ASP 93 N 1.00 0.64 -0.21 1.42 3.32 -0.37 -0.94 116.42 121.27 1fi9 h ASP 93 Ca 0.25 -0.03 0.05 0.00 0.02 0.00 0.00 57.03 57.32 1fi9 h ASP 93 Cb 0.07 -0.16 -0.07 0.00 0.22 0.00 0.00 39.33 39.39 1fi9 h ASP 93 CO -0.04 0.48 -0.47 0.25 -1.72 0.00 0.00 179.24 177.74 1fi9 h LEU 94 N 0.74 -1.50 -0.80 1.55 6.46 0.01 -1.42 115.31 120.35 1fi9 h LEU 94 Ca 0.20 0.20 0.16 0.00 -0.12 0.00 0.00 57.88 58.32 1fi9 h LEU 94 Cb -0.06 0.61 -0.10 0.00 -0.73 0.00 0.00 40.66 40.38 1fi9 h LEU 94 CO -0.04 -0.43 0.33 0.40 -0.62 0.00 0.00 178.44 178.07 1fi9 h ILE 95 N -0.48 0.61 -0.33 4.05 5.03 -0.66 -0.20 117.51 125.53 1fi9 h ILE 95 Ca 0.08 -0.15 0.07 0.00 -0.12 0.00 0.00 64.86 64.74 1fi9 h ILE 95 Cb 0.63 0.13 -0.08 0.00 -3.03 0.00 0.00 36.82 34.47 1fi9 h ILE 95 CO -0.46 0.08 -0.25 0.00 -0.68 0.00 0.00 178.15 176.83 1fi9 h ALA 96 N 1.59 -0.08 0.80 1.87 0.00 -0.07 0.21 119.26 123.57 1fi9 h ALA 96 Ca 0.45 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.43 1fi9 h ALA 96 Cb 0.73 0.56 0.01 0.00 0.00 0.00 0.00 17.79 19.08 1fi9 h ALA 96 CO -0.44 -0.66 -0.38 -0.92 0.00 0.00 0.00 179.25 176.86 1fi9 h TYR 97 N -0.22 -0.99 -0.85 0.00 3.20 -1.09 -3.27 116.97 113.75 1fi9 h TYR 97 Ca 0.16 -0.02 0.16 0.00 3.14 0.00 0.00 58.73 62.17 1fi9 h TYR 97 Cb 0.48 0.33 -0.16 0.00 1.54 0.00 0.00 36.73 38.92 1fi9 h TYR 97 CO -0.45 -0.60 -0.25 1.25 -1.64 0.00 0.00 178.16 176.46 1fi9 h LEU 98 N -1.14 -0.93 -0.57 2.82 6.46 -0.39 0.18 115.31 121.74 1fi9 h LEU 98 Ca -0.11 0.26 0.06 0.00 -0.12 0.00 0.00 57.88 57.97 1fi9 h LEU 98 Cb 0.83 0.57 -0.08 0.00 -0.73 0.00 0.00 40.66 41.25 1fi9 h LEU 98 CO 0.18 -0.29 -0.48 0.11 -0.62 0.00 0.00 178.44 177.34 1fi9 h LYS 99 N -0.02 -0.18 -0.13 1.25 1.57 -0.66 0.18 116.57 118.58 1fi9 h LYS 99 Ca 0.38 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 59.15 1fi9 h LYS 99 Cb 0.62 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.96 1fi9 h LYS 99 CO -0.88 -0.12 -0.02 -0.22 -0.57 0.00 0.00 179.45 177.64 1fi9 h LYS 100 N -0.19 0.24 -0.27 3.15 3.64 -1.08 -2.36 116.57 119.70 1fi9 h LYS 100 Ca 0.09 -0.09 0.03 0.00 -1.27 0.00 0.00 60.65 59.42 1fi9 h LYS 100 Cb 0.43 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.20 1fi9 h LYS 100 CO -0.63 0.51 0.06 0.00 -2.27 0.00 0.00 179.45 177.12 1fi9 h ALA 101 N 0.72 0.28 -0.42 5.00 0.00 -0.28 0.14 119.26 124.71 1fi9 h ALA 101 Ca 0.03 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 1fi9 h ALA 101 Cb 0.42 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1fi9 h ALA 101 CO 0.01 -0.35 -0.27 1.79 0.00 0.00 0.00 179.25 180.43 1fi9 h THR 102 N 0.17 1.27 0.40 0.00 1.35 -0.71 -3.18 112.91 112.21 1fi9 h THR 102 Ca 0.12 -1.42 -0.02 0.00 -0.55 0.00 0.00 66.41 64.54 1fi9 h THR 102 Cb 0.12 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 67.77 1fi9 h THR 102 CO -0.15 0.48 -0.19 -1.13 -0.25 0.00 0.00 175.52 174.27 1fi9 h ASN 103 N 0.76 -0.46 0.00 5.36 -0.73 -0.86 -2.96 115.58 116.69 1fi9 h ASN 103 Ca 0.09 -0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.23 1fi9 h ASN 103 Cb 0.82 0.12 0.00 0.00 0.27 0.00 0.00 38.32 39.53 1fi9 h ASN 103 CO 0.07 -0.26 0.00 1.21 -0.37 0.00 0.00 177.43 178.08