#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fhb h GLU -4 N 0.00 0.11 -6.23 -2.82 4.11 -2.06 -3.45 114.58 104.24 1fhb h GLU -4 Ca 0.00 -0.19 -0.67 0.00 0.07 0.00 0.00 59.36 58.57 1fhb h GLU -4 Cb 0.00 0.07 0.09 0.00 0.50 0.00 0.00 28.75 29.41 1fhb h GLU -4 CO 0.00 0.80 0.04 0.34 0.07 0.00 0.00 179.01 180.26 1fhb n PHE -3 N -3.23 0.80 -4.69 2.06 -0.00 -1.26 -5.01 117.46 106.13 1fhb n PHE -3 Ca -0.22 0.80 -0.33 0.00 -0.00 0.00 0.00 57.45 57.70 1fhb n PHE -3 Cb 1.05 -2.18 -0.12 0.00 -0.00 0.00 0.00 39.48 38.24 1fhb n PHE -3 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 176.76 175.17 1fhb s LYS -2 N -0.62 2.67 0.38 -4.13 -2.85 -1.26 -5.11 119.74 108.83 1fhb s LYS -2 Ca 0.72 -0.60 -0.28 0.00 -1.00 0.00 0.00 55.97 54.81 1fhb s LYS -2 Cb -0.91 -2.53 -0.11 0.00 -2.06 0.00 0.00 37.83 32.22 1fhb s LYS -2 CO 0.55 0.65 1.46 0.00 0.10 0.00 0.00 175.35 178.11 1fhb s ALA -1 N -0.80 3.53 0.00 0.59 0.00 -1.26 -5.00 121.76 118.81 1fhb s ALA -1 Ca 0.12 1.53 0.00 0.00 0.00 0.00 0.00 51.96 53.62 1fhb s ALA -1 Cb -0.11 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.42 1fhb s ALA -1 CO 0.01 -1.03 0.00 0.41 0.00 0.00 0.00 175.76 175.15 1fhb n GLY 1 N 0.50 0.78 3.77 0.00 0.00 -1.26 -5.08 105.19 103.90 1fhb n GLY 1 Ca 0.01 -0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1fhb n GLY 1 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1fhb s SER 2 N -1.00 4.92 0.06 1.61 0.15 -1.26 -5.04 113.70 113.13 1fhb s SER 2 Ca 0.00 -0.65 -0.16 0.00 0.70 0.00 0.00 55.95 55.84 1fhb s SER 2 Cb 0.00 -0.85 -0.20 0.00 -1.71 0.00 0.00 66.02 63.26 1fhb s SER 2 CO 0.00 -0.29 1.20 0.00 1.20 0.00 0.00 173.24 175.35 1fhb h ALA 3 N 1.46 0.17 -2.26 5.45 0.00 -1.89 -3.33 119.26 118.86 1fhb h ALA 3 Ca -0.44 -0.60 -0.44 0.00 0.00 0.00 0.00 54.91 53.43 1fhb h ALA 3 Cb 1.25 0.02 0.18 0.00 0.00 0.00 0.00 17.79 19.24 1fhb h ALA 3 CO 0.61 0.53 0.13 -1.59 0.00 0.00 0.00 179.25 178.93 1fhb s LYS 4 N -3.48 -0.29 0.00 0.00 -2.85 -1.26 -3.59 119.74 108.27 1fhb s LYS 4 Ca -0.11 0.47 0.00 0.00 -1.00 0.00 0.00 55.97 55.32 1fhb s LYS 4 Cb 0.06 -1.66 0.00 0.00 -2.06 0.00 0.00 37.83 34.17 1fhb s LYS 4 CO 0.87 -3.21 0.00 1.17 0.10 0.00 0.00 175.35 174.29 1fhb n LYS 5 N -4.50 0.00 -0.27 1.78 4.81 -1.26 -4.33 118.16 114.38 1fhb n LYS 5 Ca 0.06 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.60 1fhb n LYS 5 Cb 0.57 0.00 0.36 0.00 0.02 0.00 0.00 35.03 35.98 1fhb n LYS 5 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1fhb h GLY 6 N 0.00 1.24 0.50 3.14 0.00 -1.72 -0.59 103.07 105.64 1fhb h GLY 6 Ca 0.00 -0.32 0.04 0.00 0.00 0.00 0.00 47.33 47.05 1fhb h GLY 6 CO 0.00 0.12 -0.12 0.00 0.00 0.00 0.00 176.54 176.53 1fhb h ALA 7 N 1.59 -0.01 -0.46 3.60 0.00 -1.75 0.89 119.26 123.12 1fhb h ALA 7 Ca 0.44 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.42 1fhb h ALA 7 Cb 0.64 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1fhb h ALA 7 CO -0.20 -0.57 0.30 1.15 0.00 0.00 0.00 179.25 179.93 1fhb h THR 8 N -0.14 1.11 0.05 0.00 2.02 -1.52 0.02 112.91 114.45 1fhb h THR 8 Ca 0.10 -0.21 -0.00 0.00 0.77 0.00 0.00 66.41 67.06 1fhb h THR 8 Cb 0.28 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 67.14 1fhb h THR 8 CO -0.23 0.11 -0.02 -0.07 0.37 0.00 0.00 175.52 175.68 1fhb h LEU 9 N 0.61 -0.06 -0.43 2.58 -0.00 -0.81 0.13 115.31 117.33 1fhb h LEU 9 Ca 0.17 -0.03 0.09 0.00 -0.00 0.00 0.00 57.88 58.11 1fhb h LEU 9 Cb -0.06 0.01 -0.09 0.00 -0.00 0.00 0.00 40.66 40.52 1fhb h LEU 9 CO -0.04 -0.01 -0.18 0.15 -0.00 0.00 0.00 178.44 178.36 1fhb h PHE 10 N -0.09 -0.45 -0.56 1.13 3.04 -0.63 -0.75 116.94 118.63 1fhb h PHE 10 Ca -0.01 0.05 0.01 0.00 3.98 0.00 0.00 57.97 62.00 1fhb h PHE 10 Cb 0.08 0.26 -0.03 0.00 2.56 0.00 0.00 35.95 38.82 1fhb h PHE 10 CO -0.07 -0.27 0.37 0.87 -2.02 0.00 0.00 178.31 177.20 1fhb h LYS 11 N -0.09 0.74 -0.60 1.11 1.57 -0.16 0.19 116.57 119.32 1fhb h LYS 11 Ca 0.21 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1fhb h LYS 11 Cb 0.42 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1fhb h LYS 11 CO -0.50 0.49 0.00 0.25 -0.57 0.00 0.00 179.45 179.12 1fhb n THR 12 N -4.45 0.91 0.00 -0.16 -2.24 0.38 -4.53 114.28 104.18 1fhb n THR 12 Ca 0.05 -0.82 0.00 0.00 -2.27 0.00 0.00 64.05 61.01 1fhb n THR 12 Cb 0.05 0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 1fhb n THR 12 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1fhb n ARG 13 N 1.18 0.00 -0.07 -0.78 1.74 -0.37 -4.98 116.66 113.38 1fhb n ARG 13 Ca 0.20 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.15 1fhb n ARG 13 Cb 0.54 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.92 1fhb n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1fhb h LEU 15 N 0.13 0.39 -0.86 0.00 5.85 -1.28 0.20 115.31 119.74 1fhb h LEU 15 Ca 0.04 0.16 0.19 0.00 0.84 0.00 0.00 57.88 59.11 1fhb h LEU 15 Cb 0.69 0.13 -0.16 0.00 0.37 0.00 0.00 40.66 41.69 1fhb h LEU 15 CO 0.04 -0.15 -0.11 -0.61 -0.34 0.00 0.00 178.44 177.27 1fhb h GLN 16 N 0.21 0.03 0.00 1.25 4.15 -1.76 -3.23 115.11 115.76 1fhb h GLN 16 Ca 0.76 -0.00 -0.19 0.00 0.77 0.00 0.00 58.65 59.98 1fhb h GLN 16 Cb 2.04 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 29.69 1fhb h GLN 16 CO -0.51 0.02 -1.73 0.00 -1.93 0.00 0.00 178.83 174.68 1fhb n HIS 18 N -2.50 -0.51 -4.08 0.00 8.25 0.44 -0.63 115.22 116.18 1fhb n HIS 18 Ca -0.19 -2.22 -0.14 0.00 -0.26 0.00 0.00 57.72 54.92 1fhb n HIS 18 Cb 0.82 -0.42 -0.12 0.00 1.12 0.00 0.00 29.99 31.39 1fhb n HIS 18 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1fhb s THR 19 N -2.60 0.46 -0.17 1.59 -4.23 -1.26 -4.38 115.64 105.06 1fhb s THR 19 Ca 0.28 -0.78 0.00 0.00 -1.18 0.00 0.00 61.69 60.01 1fhb s THR 19 Cb -0.02 -0.49 -0.11 0.00 1.34 0.00 0.00 72.50 73.22 1fhb s THR 19 CO 0.17 -0.22 -0.16 0.55 -0.54 0.00 0.00 174.62 174.42 1fhb n VAL 20 N 1.98 0.97 -3.07 2.29 3.14 -1.26 -1.62 118.33 120.76 1fhb n VAL 20 Ca -0.19 -0.36 -0.34 0.00 -2.96 0.00 0.00 64.34 60.49 1fhb n VAL 20 Cb 0.56 -1.17 -0.06 0.00 -1.06 0.00 0.00 33.84 32.11 1fhb n VAL 20 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 1fhb s GLU 21 N -2.34 4.14 0.84 1.45 2.02 -1.26 -4.31 118.70 119.25 1fhb s GLU 21 Ca -0.23 0.83 -0.13 0.00 0.02 0.00 0.00 54.97 55.46 1fhb s GLU 21 Cb 0.06 -2.56 0.06 0.00 0.10 0.00 0.00 34.13 31.79 1fhb s GLU 21 CO 0.38 0.22 0.91 1.63 0.02 0.00 0.00 175.26 178.42 1fhb n LYS 22 N 0.00 -0.01 0.00 1.61 5.02 -1.26 -3.00 118.16 120.52 1fhb n LYS 22 Ca 0.02 0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 1fhb n LYS 22 Cb 0.52 -2.20 0.00 0.00 -0.02 0.00 0.00 35.03 33.33 1fhb n LYS 22 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1fhb n GLY 23 N 0.90 2.00 3.58 0.72 0.00 -1.26 -4.98 105.19 106.15 1fhb n GLY 23 Ca 0.11 -0.33 -0.50 0.00 0.00 0.00 0.00 46.02 45.30 1fhb n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fhb n GLY 24 N 0.00 0.94 3.69 -0.02 0.00 -1.16 -4.90 105.19 103.74 1fhb n GLY 24 Ca 0.00 0.90 -0.29 0.00 0.00 0.00 0.00 46.02 46.63 1fhb n GLY 24 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1fhb s PRO 25 N 5.09 0.32 -0.55 1.61 0.04 -1.26 -4.63 135.00 135.63 1fhb s PRO 25 Ca 1.01 0.36 -0.27 0.00 0.04 0.00 0.00 61.00 62.14 1fhb s PRO 25 Cb -0.78 -1.74 -0.00 0.00 0.04 0.00 0.00 34.50 32.02 1fhb s PRO 25 CO 0.51 -2.77 1.63 -1.01 0.04 0.00 0.00 177.00 175.41 1fhb s HIS 26 N -3.05 1.98 0.00 0.56 3.76 -1.26 -4.52 115.29 112.76 1fhb s HIS 26 Ca 0.66 0.59 0.00 0.00 -0.15 0.00 0.00 55.06 56.16 1fhb s HIS 26 Cb -0.17 -4.25 0.00 0.00 1.11 0.00 0.00 32.58 29.28 1fhb s HIS 26 CO 0.56 -2.27 0.00 1.63 -0.85 0.00 0.00 174.74 173.82 1fhb n LYS 27 N 8.84 0.00 -0.04 1.40 5.02 -1.26 -4.87 118.16 127.25 1fhb n LYS 27 Ca 0.17 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.31 1fhb n LYS 27 Cb 0.50 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.42 1fhb n LYS 27 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1fhb h VAL 28 N 0.00 1.40 -2.19 -0.18 2.07 -1.82 -3.46 116.25 112.07 1fhb h VAL 28 Ca 0.00 -1.69 -0.52 0.00 0.82 0.00 0.00 66.70 65.31 1fhb h VAL 28 Cb 0.00 2.21 -0.06 0.00 -1.52 0.00 0.00 31.29 31.92 1fhb h VAL 28 CO 0.00 0.49 -0.56 -0.83 0.02 0.00 0.00 177.57 176.69 1fhb s GLY 29 N -3.76 1.49 0.85 2.17 0.00 0.20 -5.01 107.32 103.25 1fhb s GLY 29 Ca -0.14 -1.50 -0.12 0.00 0.00 0.00 0.00 44.72 42.97 1fhb s GLY 29 CO 0.79 -1.55 1.10 2.56 0.00 0.00 0.00 173.10 176.00 1fhb s PRO 30 N -3.79 1.65 0.21 2.90 0.04 -1.26 -4.46 135.00 130.29 1fhb s PRO 30 Ca 0.32 0.66 -0.30 0.00 0.04 0.00 0.00 61.00 61.72 1fhb s PRO 30 Cb -0.07 -1.87 -0.09 0.00 0.04 0.00 0.00 34.50 32.51 1fhb s PRO 30 CO 0.23 -1.93 1.40 1.21 0.04 0.00 0.00 177.00 177.96 1fhb s ASN 31 N -3.74 6.75 -0.15 6.66 3.84 -1.26 -4.25 114.94 122.79 1fhb s ASN 31 Ca 0.62 2.53 0.16 0.00 0.21 0.00 0.00 52.86 56.39 1fhb s ASN 31 Cb -0.16 -2.61 0.71 0.00 -0.55 0.00 0.00 41.25 38.64 1fhb s ASN 31 CO 0.55 -0.65 1.62 0.18 -2.79 0.00 0.00 177.10 176.02 1fhb n LEU 32 N 2.78 4.85 -4.59 3.21 4.77 -0.64 -4.89 117.00 122.50 1fhb n LEU 32 Ca 0.08 -2.64 -0.41 0.00 -0.03 0.00 0.00 56.01 53.01 1fhb n LEU 32 Cb 0.41 -0.59 -0.07 0.00 -2.33 0.00 0.00 43.42 40.85 1fhb n LEU 32 CO 0.59 0.74 0.36 -2.28 -1.33 0.00 0.00 177.39 175.47 1fhb s HIS 33 N -2.20 3.20 0.00 -1.77 2.46 -1.26 -3.53 115.29 112.19 1fhb s HIS 33 Ca 0.50 0.50 0.00 0.00 0.47 0.00 0.00 55.06 56.52 1fhb s HIS 33 Cb 0.35 -2.99 0.00 0.00 -0.13 0.00 0.00 32.58 29.80 1fhb s HIS 33 CO 0.20 -0.50 0.00 0.41 -2.47 0.00 0.00 174.74 172.38 1fhb n GLY 34 N 4.51 0.88 0.13 1.59 0.00 -1.26 -4.97 105.19 106.07 1fhb n GLY 34 Ca -0.02 -0.59 -0.24 0.00 0.00 0.00 0.00 46.02 45.17 1fhb n GLY 34 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1fhb n ILE 35 N -2.06 1.56 -1.93 -0.61 0.13 -1.23 -4.38 119.36 110.84 1fhb n ILE 35 Ca 0.00 -0.32 -0.24 0.00 -1.10 0.00 0.00 62.75 61.09 1fhb n ILE 35 Cb 0.46 -1.86 -0.06 0.00 -0.84 0.00 0.00 39.64 37.34 1fhb n ILE 35 CO 0.00 0.00 0.00 -0.36 2.80 0.00 0.00 176.55 178.99 1fhb s PHE 36 N -2.47 1.67 0.00 9.51 0.40 -1.26 -1.29 117.98 124.54 1fhb s PHE 36 Ca -0.33 0.98 0.00 0.00 -0.60 0.00 0.00 56.93 56.98 1fhb s PHE 36 Cb 0.10 -3.86 0.00 0.00 0.51 0.00 0.00 43.02 39.77 1fhb s PHE 36 CO 0.58 -1.49 0.00 0.41 0.70 0.00 0.00 175.22 175.41 1fhb n GLY 37 N 6.54 0.84 3.57 4.36 0.00 -1.22 -4.94 105.19 114.34 1fhb n GLY 37 Ca 0.43 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.12 1fhb n GLY 37 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1fhb s ARG 38 N 0.00 2.60 0.80 1.61 1.81 -0.41 -5.03 118.95 120.33 1fhb s ARG 38 Ca 0.00 -0.67 -0.11 0.00 -1.72 0.00 0.00 55.73 53.23 1fhb s ARG 38 Cb 0.00 -2.51 0.08 0.00 -0.45 0.00 0.00 34.95 32.07 1fhb s ARG 38 CO 0.00 0.62 1.13 -0.65 -0.68 0.00 0.00 175.30 175.72 1fhb s GLN 39 N -1.13 1.88 0.84 3.54 -0.21 -1.26 -4.15 119.66 119.17 1fhb s GLN 39 Ca 0.15 1.39 -0.13 0.00 0.02 0.00 0.00 55.36 56.79 1fhb s GLN 39 Cb -0.11 -1.84 0.10 0.00 1.00 0.00 0.00 33.01 32.16 1fhb s GLN 39 CO 0.04 -1.96 1.16 -1.13 -2.12 0.00 0.00 175.29 171.28 1fhb n SER 40 N -3.55 0.74 -2.23 5.90 3.41 0.13 -4.19 113.62 113.83 1fhb n SER 40 Ca 0.11 0.54 -0.08 0.00 -0.26 0.00 0.00 58.87 59.17 1fhb n SER 40 Cb 0.52 -1.49 0.04 0.00 -0.26 0.00 0.00 64.21 63.03 1fhb n SER 40 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fhb n GLY 41 N 0.53 0.02 0.10 5.00 0.00 -1.26 -4.63 105.19 104.94 1fhb n GLY 41 Ca 0.13 -0.15 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 1fhb n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fhb n GLN 42 N -2.54 0.72 -2.33 1.61 10.64 -1.26 -4.88 117.38 119.34 1fhb n GLN 42 Ca -0.13 0.09 -0.35 0.00 -1.83 0.00 0.00 57.00 54.77 1fhb n GLN 42 Cb 0.58 -1.41 -0.03 0.00 -0.86 0.00 0.00 30.24 28.52 1fhb n GLN 42 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1fhb s ALA 43 N -2.40 2.47 0.18 2.61 0.00 -1.26 -4.85 121.76 118.51 1fhb s ALA 43 Ca -0.23 -2.33 -0.15 0.00 0.00 0.00 0.00 51.96 49.25 1fhb s ALA 43 Cb 0.06 -4.62 0.16 0.00 0.00 0.00 0.00 23.12 18.73 1fhb s ALA 43 CO 0.51 -4.20 1.67 1.05 0.00 0.00 0.00 175.76 174.79 1fhb h GLU 44 N 9.25 0.06 -2.99 0.00 4.11 -2.04 -3.32 114.58 119.65 1fhb h GLU 44 Ca 0.27 -0.00 -0.65 0.00 0.07 0.00 0.00 59.36 59.05 1fhb h GLU 44 Cb 0.94 -0.01 0.03 0.00 0.50 0.00 0.00 28.75 30.20 1fhb h GLU 44 CO 1.34 0.04 3.73 0.41 0.07 0.00 0.00 179.01 184.60 1fhb n GLY 45 N -1.32 4.19 3.56 1.06 0.00 -1.26 -4.75 105.19 106.66 1fhb n GLY 45 Ca 0.05 -1.47 -0.06 0.00 0.00 0.00 0.00 46.02 44.53 1fhb n GLY 45 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1fhb s TYR 46 N 2.18 -0.22 -1.03 1.61 5.04 -1.25 -4.97 117.35 118.71 1fhb s TYR 46 Ca 0.69 0.18 -0.17 0.00 -2.44 0.00 0.00 57.07 55.32 1fhb s TYR 46 Cb 0.18 0.52 -0.08 0.00 0.35 0.00 0.00 41.96 42.92 1fhb s TYR 46 CO -0.06 -0.33 2.08 -1.13 -1.34 0.00 0.00 175.55 174.78 1fhb n SER 47 N -0.04 3.43 -2.71 4.32 3.41 -1.26 -4.92 113.62 115.85 1fhb n SER 47 Ca -0.04 -2.69 -0.11 0.00 -0.26 0.00 0.00 58.87 55.77 1fhb n SER 47 Cb 0.59 -1.30 0.08 0.00 -0.26 0.00 0.00 64.21 63.32 1fhb n SER 47 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1fhb n TYR 48 N 6.57 -3.98 -4.21 7.33 4.01 -1.26 -4.99 117.16 120.64 1fhb n TYR 48 Ca 0.51 -0.43 -0.16 0.00 -0.16 0.00 0.00 57.90 57.65 1fhb n TYR 48 Cb 0.37 -0.38 -0.13 0.00 -0.31 0.00 0.00 39.34 38.88 1fhb n TYR 48 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1fhb s THR 49 N -2.07 0.67 0.19 -0.72 -4.23 -1.26 -5.03 115.64 103.20 1fhb s THR 49 Ca 0.28 -0.71 -0.19 0.00 -1.18 0.00 0.00 61.69 59.89 1fhb s THR 49 Cb -0.01 -0.63 0.15 0.00 1.34 0.00 0.00 72.50 73.35 1fhb s THR 49 CO 0.20 -0.06 1.60 -0.78 -0.54 0.00 0.00 174.62 175.04 1fhb h ASP 50 N 5.26 -1.01 -0.41 3.99 3.58 -1.99 -2.21 116.42 123.62 1fhb h ASP 50 Ca -0.33 0.22 0.09 0.00 0.42 0.00 0.00 57.03 57.42 1fhb h ASP 50 Cb 1.19 0.52 -0.09 0.00 1.72 0.00 0.00 39.33 42.68 1fhb h ASP 50 CO 0.46 -0.28 -0.19 0.00 -2.88 0.00 0.00 179.24 176.34 1fhb h ALA 51 N 1.15 0.12 -0.20 -0.78 0.00 -1.91 0.14 119.26 117.79 1fhb h ALA 51 Ca 0.25 0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.35 1fhb h ALA 51 Cb 0.53 0.47 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 1fhb h ALA 51 CO -0.67 -0.55 -0.07 -0.97 0.00 0.00 0.00 179.25 176.99 1fhb h ASN 52 N -0.11 -0.25 -0.01 0.00 -0.73 -1.64 0.14 115.58 112.99 1fhb h ASN 52 Ca 0.20 0.07 0.03 0.00 1.87 0.00 0.00 56.30 58.47 1fhb h ASN 52 Cb 0.42 0.15 -0.05 0.00 0.27 0.00 0.00 38.32 39.12 1fhb h ASN 52 CO -0.49 -0.10 -0.26 0.40 -0.37 0.00 0.00 177.43 176.62 1fhb h ILE 53 N -0.04 0.41 0.00 2.57 2.04 -0.60 0.81 117.51 122.70 1fhb h ILE 53 Ca 0.10 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.96 1fhb h ILE 53 Cb 0.19 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 1fhb h ILE 53 CO -0.22 0.00 0.00 0.29 0.00 0.00 0.00 178.15 178.22 1fhb n LYS 54 N -5.37 0.04 -1.70 2.37 5.02 0.38 -0.41 118.16 118.48 1fhb n LYS 54 Ca -0.05 0.36 -0.35 0.00 -2.02 0.00 0.00 58.31 56.25 1fhb n LYS 54 Cb 0.29 -1.59 0.05 0.00 -0.02 0.00 0.00 35.03 33.76 1fhb n LYS 54 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1fhb n LYS 55 N -1.68 2.87 -1.33 1.97 3.00 0.48 -5.00 118.16 118.48 1fhb n LYS 55 Ca 0.02 -3.56 -0.54 0.00 -0.00 0.00 0.00 58.31 54.23 1fhb n LYS 55 Cb 0.14 -2.28 -0.12 0.00 0.00 0.00 0.00 35.03 32.77 1fhb n LYS 55 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1fhb n ASN 56 N -0.73 0.79 -3.77 3.14 6.94 0.45 -4.75 115.26 117.33 1fhb n ASN 56 Ca 0.56 0.52 -0.22 0.00 -0.02 0.00 0.00 54.58 55.42 1fhb n ASN 56 Cb 0.54 -0.95 -0.17 0.00 -2.36 0.00 0.00 39.78 36.84 1fhb n ASN 56 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1fhb s VAL 57 N 6.93 0.31 0.63 3.53 1.01 -1.26 -4.90 120.40 126.65 1fhb s VAL 57 Ca 1.23 0.15 0.31 0.00 0.00 0.00 0.00 61.98 63.66 1fhb s VAL 57 Cb -1.37 -0.47 0.35 0.00 0.00 0.00 0.00 36.38 34.90 1fhb s VAL 57 CO 0.60 0.24 2.02 0.25 0.00 0.00 0.00 175.10 178.21 1fhb h LEU 58 N 8.21 0.00 -2.45 3.92 7.12 -1.91 0.38 115.31 130.58 1fhb h LEU 58 Ca -0.21 0.00 -0.15 0.00 0.13 0.00 0.00 57.88 57.65 1fhb h LEU 58 Cb 1.13 0.00 0.12 0.00 -0.53 0.00 0.00 40.66 41.37 1fhb h LEU 58 CO 0.27 0.00 -0.51 0.79 -0.13 0.00 0.00 178.44 178.87 1fhb n TRP 59 N -3.34 -2.54 -2.16 1.25 5.03 -1.26 -3.58 117.44 110.83 1fhb n TRP 59 Ca 0.01 0.92 -0.26 0.00 3.03 0.00 0.00 57.50 61.20 1fhb n TRP 59 Cb 0.39 -4.03 0.09 0.00 -1.03 0.00 0.00 31.31 26.73 1fhb n TRP 59 CO 0.00 0.00 0.00 0.16 -0.03 0.00 0.00 177.69 177.82 1fhb s ASP 60 N -3.21 4.54 0.14 -0.99 -4.77 -1.26 -3.46 116.67 107.67 1fhb s ASP 60 Ca 0.27 0.42 -0.19 0.00 -3.30 0.00 0.00 52.55 49.75 1fhb s ASP 60 Cb -0.04 -0.96 0.02 0.00 -1.09 0.00 0.00 42.92 40.86 1fhb s ASP 60 CO 0.71 -1.79 1.69 -0.08 0.70 0.00 0.00 175.17 176.40 1fhb h GLU 61 N -0.78 -0.01 0.30 2.11 4.81 -1.98 0.10 114.58 119.14 1fhb h GLU 61 Ca -0.44 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.78 1fhb h GLU 61 Cb 1.31 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.69 1fhb h GLU 61 CO 0.57 -0.01 -0.14 -0.97 -0.73 0.00 0.00 179.01 177.73 1fhb h ASN 62 N -0.01 -0.34 -0.11 1.04 -1.24 -1.99 0.06 115.58 113.00 1fhb h ASN 62 Ca 0.14 -0.12 0.01 0.00 0.71 0.00 0.00 56.30 57.03 1fhb h ASN 62 Cb 0.22 0.09 -0.01 0.00 0.73 0.00 0.00 38.32 39.35 1fhb h ASN 62 CO -0.29 -0.07 0.05 -1.13 -1.29 0.00 0.00 177.43 174.70 1fhb h ASN 63 N -0.61 0.08 -0.70 1.15 -0.73 -1.95 -2.02 115.58 110.81 1fhb h ASN 63 Ca -0.04 0.00 0.11 0.00 1.87 0.00 0.00 56.30 58.24 1fhb h ASN 63 Cb 0.44 -0.01 -0.08 0.00 0.27 0.00 0.00 38.32 38.94 1fhb h ASN 63 CO 0.07 0.06 0.30 -0.03 -0.37 0.00 0.00 177.43 177.46 1fhb h MET 64 N 0.12 0.48 0.01 6.67 4.05 -0.76 0.86 114.93 126.35 1fhb h MET 64 Ca 0.04 -0.03 0.02 0.00 -0.28 0.00 0.00 59.70 59.46 1fhb h MET 64 Cb 0.01 -0.11 -0.06 0.00 -0.80 0.00 0.00 31.60 30.64 1fhb h MET 64 CO -0.03 0.32 -0.51 1.03 0.23 0.00 0.00 176.91 177.95 1fhb h SER 65 N 0.49 -1.55 -0.63 1.39 0.87 -0.34 0.94 113.55 114.72 1fhb h SER 65 Ca 0.36 0.18 -0.07 0.00 -1.23 0.00 0.00 61.79 61.02 1fhb h SER 65 Cb 0.46 0.59 -0.02 0.00 -0.44 0.00 0.00 62.40 62.98 1fhb h SER 65 CO -0.32 -0.51 0.10 -0.08 -0.53 0.00 0.00 176.83 175.49 1fhb h GLU 66 N -0.66 1.04 -0.67 2.24 4.57 -0.61 0.16 114.58 120.66 1fhb h GLU 66 Ca 0.02 -0.28 0.13 0.00 -1.18 0.00 0.00 59.36 58.06 1fhb h GLU 66 Cb 0.71 -0.12 -0.10 0.00 -0.16 0.00 0.00 28.75 29.08 1fhb h GLU 66 CO -0.35 0.97 0.15 -0.92 -1.18 0.00 0.00 179.01 177.68 1fhb h TYR 67 N 0.96 0.23 -0.44 0.92 3.20 -0.73 0.26 116.97 121.37 1fhb h TYR 67 Ca 0.19 0.04 -0.13 0.00 3.14 0.00 0.00 58.73 61.97 1fhb h TYR 67 Cb 0.43 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 1fhb h TYR 67 CO 0.03 -0.06 -0.23 -0.07 -1.64 0.00 0.00 178.16 176.19 1fhb h LEU 68 N 0.26 0.96 -0.71 2.82 3.38 0.69 0.16 115.31 122.88 1fhb h LEU 68 Ca 0.36 -0.41 0.08 0.00 0.09 0.00 0.00 57.88 58.00 1fhb h LEU 68 Cb 0.57 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.99 1fhb h LEU 68 CO -0.46 1.16 0.38 0.71 0.09 0.00 0.00 178.44 180.32 1fhb h THR 69 N 0.76 0.91 -1.39 0.22 1.35 -0.21 0.19 112.91 114.75 1fhb h THR 69 Ca 0.09 -0.23 -0.17 0.00 -0.55 0.00 0.00 66.41 65.56 1fhb h THR 69 Cb 0.81 0.19 -0.24 0.00 -1.73 0.00 0.00 68.15 67.17 1fhb h THR 69 CO 0.07 0.12 -0.53 0.21 -0.25 0.00 0.00 175.52 175.14 1fhb s ASN 70 N -5.56 -0.45 0.00 5.36 3.84 0.03 -3.76 114.94 114.41 1fhb s ASN 70 Ca -0.13 -0.95 0.00 0.00 0.21 0.00 0.00 52.86 52.00 1fhb s ASN 70 Cb 0.17 1.42 0.00 0.00 -0.55 0.00 0.00 41.25 42.29 1fhb s ASN 70 CO 0.76 -0.23 0.36 -0.81 -2.79 0.00 0.00 177.10 174.39 1fhb n PRO 71 N 4.52 0.41 0.00 0.43 -0.04 0.53 -2.60 135.00 138.25 1fhb n PRO 71 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 1fhb n PRO 71 Cb 0.52 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.71 1fhb n PRO 71 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1fhb n LYS 73 N 0.65 0.00 -0.21 0.54 0.00 -1.26 -0.67 118.16 117.22 1fhb n LYS 73 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 58.31 58.25 1fhb n LYS 73 Cb 0.18 0.00 0.03 0.00 0.00 0.00 0.00 35.03 35.24 1fhb n LYS 73 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.40 176.48 1fhb h TYR 74 N 0.00 0.77 -3.59 5.64 5.03 -1.84 -3.35 116.97 119.63 1fhb h TYR 74 Ca 0.00 0.00 -0.67 0.00 2.58 0.00 0.00 58.73 60.64 1fhb h TYR 74 Cb 0.00 -0.25 -0.38 0.00 1.55 0.00 0.00 36.73 37.65 1fhb h TYR 74 CO 0.00 0.51 -0.64 0.42 -1.32 0.00 0.00 178.16 177.14 1fhb s ILE 75 N -6.04 2.75 -1.27 1.81 1.01 0.16 -5.03 121.20 114.59 1fhb s ILE 75 Ca -0.13 -2.30 -0.16 0.00 0.00 0.00 0.00 60.65 58.07 1fhb s ILE 75 Cb 0.13 -2.95 -0.03 0.00 0.01 0.00 0.00 42.46 39.63 1fhb s ILE 75 CO 0.76 -0.66 2.20 -0.81 0.00 0.00 0.00 174.94 176.43 1fhb n PRO 76 N 4.31 2.52 0.00 2.79 -0.04 -1.26 -3.64 135.00 139.69 1fhb n PRO 76 Ca 0.02 -2.32 0.00 0.00 -0.04 0.00 0.00 63.50 61.15 1fhb n PRO 76 Cb 0.41 -3.12 0.00 0.00 -0.04 0.00 0.00 33.50 30.75 1fhb n PRO 76 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1fhb n GLY 77 N 4.16 -1.11 3.12 0.55 0.00 -1.26 -4.90 105.19 105.75 1fhb n GLY 77 Ca 0.53 0.32 -0.25 0.00 0.00 0.00 0.00 46.02 46.62 1fhb n GLY 77 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1fhb s THR 78 N 0.00 1.31 -0.89 2.61 -1.32 -1.24 -4.16 115.64 111.96 1fhb s THR 78 Ca 0.00 -0.67 0.15 0.00 -1.21 0.00 0.00 61.69 59.96 1fhb s THR 78 Cb 0.00 -1.12 0.14 0.00 -1.51 0.00 0.00 72.50 70.01 1fhb s THR 78 CO 0.00 0.38 1.48 1.17 -2.21 0.00 0.00 174.62 175.44 1fhb n LYS 79 N 3.02 0.04 -1.64 7.08 4.81 -1.26 -4.75 118.16 125.45 1fhb n LYS 79 Ca -0.17 0.31 -0.15 0.00 -0.87 0.00 0.00 58.31 57.43 1fhb n LYS 79 Cb 0.53 -1.58 -0.07 0.00 0.02 0.00 0.00 35.03 33.93 1fhb n LYS 79 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1fhb s ALA 80 N -3.07 0.77 -0.97 3.14 0.00 -1.26 -4.82 121.76 115.55 1fhb s ALA 80 Ca 0.06 -1.02 -0.07 0.00 0.00 0.00 0.00 51.96 50.93 1fhb s ALA 80 Cb 0.09 -4.60 -0.06 0.00 0.00 0.00 0.00 23.12 18.55 1fhb s ALA 80 CO 0.27 -5.96 2.16 0.00 0.00 0.00 0.00 175.76 172.23 1fhb n ALA 81 N 18.28 4.84 -3.00 0.00 0.00 -1.26 -4.84 120.51 134.53 1fhb n ALA 81 Ca 0.45 -2.25 -0.32 0.00 0.00 0.00 0.00 53.44 51.32 1fhb n ALA 81 Cb 0.44 -3.09 -0.16 0.00 0.00 0.00 0.00 19.45 16.64 1fhb n ALA 81 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1fhb s PHE 82 N 3.44 2.58 0.04 0.00 5.36 -1.26 -5.06 117.98 123.07 1fhb s PHE 82 Ca 0.43 -0.82 -0.23 0.00 -0.96 0.00 0.00 56.93 55.36 1fhb s PHE 82 Cb 0.11 -1.70 -0.15 0.00 -0.34 0.00 0.00 43.02 40.94 1fhb s PHE 82 CO -0.02 -0.28 1.44 0.78 -1.46 0.00 0.00 175.22 175.67 1fhb h GLY 83 N 6.43 0.17 0.00 13.12 0.00 -1.96 -3.44 103.07 117.38 1fhb h GLY 83 Ca -0.26 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 46.94 1fhb h GLY 83 CO 0.49 0.12 0.00 0.61 0.00 0.00 0.00 176.54 177.76 1fhb n GLY 84 N -0.19 2.43 2.69 4.60 0.00 -1.26 -4.80 105.19 108.66 1fhb n GLY 84 Ca -0.07 -1.91 -0.28 0.00 0.00 0.00 0.00 46.02 43.76 1fhb n GLY 84 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1fhb n LEU 85 N 0.00 4.87 -0.24 0.99 4.77 0.67 -4.91 117.00 123.14 1fhb n LEU 85 Ca 0.00 -5.39 0.08 0.00 -0.03 0.00 0.00 56.01 50.67 1fhb n LEU 85 Cb 0.00 -0.56 0.34 0.00 -2.33 0.00 0.00 43.42 40.88 1fhb n LEU 85 CO 0.00 2.26 1.22 0.50 -1.33 0.00 0.00 177.39 180.04 1fhb h LYS 86 N 2.82 0.75 -0.91 3.23 3.64 -1.82 -2.97 116.57 121.32 1fhb h LYS 86 Ca 0.26 -0.05 0.17 0.00 -1.27 0.00 0.00 60.65 59.76 1fhb h LYS 86 Cb 0.69 -0.17 -0.08 0.00 -0.41 0.00 0.00 32.23 32.26 1fhb h LYS 86 CO 0.88 0.50 0.59 0.87 -2.27 0.00 0.00 179.45 180.02 1fhb h LYS 87 N 0.78 0.60 0.00 1.90 1.57 -1.96 -3.46 116.57 115.99 1fhb h LYS 87 Ca 0.39 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 1fhb h LYS 87 Cb 0.45 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1fhb h LYS 87 CO -0.16 0.39 0.00 -1.91 -0.57 0.00 0.00 179.45 177.21 1fhb n GLU 88 N -4.58 0.00 -0.29 3.15 2.13 -1.12 -4.68 120.64 115.25 1fhb n GLU 88 Ca 0.19 0.00 0.19 0.00 0.66 0.00 0.00 57.16 58.20 1fhb n GLU 88 Cb 0.56 -0.09 0.48 0.00 0.27 0.00 0.00 31.44 32.66 1fhb n GLU 88 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1fhb h LYS 89 N 0.00 0.45 0.00 5.31 1.79 -1.89 -0.38 116.57 121.85 1fhb h LYS 89 Ca 0.00 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1fhb h LYS 89 Cb 0.00 -0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 30.55 1fhb h LYS 89 CO 0.00 0.30 -0.05 -0.44 -1.08 0.00 0.00 179.45 178.19 1fhb h ASP 90 N 0.47 0.00 -0.99 0.86 5.19 -1.93 -3.39 116.42 116.62 1fhb h ASP 90 Ca 0.53 -0.30 0.20 0.00 -0.62 0.00 0.00 57.03 56.84 1fhb h ASP 90 Cb 1.24 0.00 -0.19 0.00 0.18 0.00 0.00 39.33 40.56 1fhb h ASP 90 CO -0.25 0.68 -0.25 -0.09 -3.12 0.00 0.00 179.24 176.21 1fhb h ARG 91 N -1.00 -0.00 -0.36 3.56 2.43 -1.67 0.83 114.38 118.18 1fhb h ARG 91 Ca -0.01 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.21 1fhb h ARG 91 Cb 0.34 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.84 1fhb h ARG 91 CO -0.00 -0.00 0.08 -2.95 -1.51 0.00 0.00 179.97 175.59 1fhb h ASN 92 N -0.00 0.04 -0.10 -3.80 7.08 -1.29 0.20 115.58 117.71 1fhb h ASN 92 Ca 0.47 0.05 -0.05 0.00 -3.08 0.00 0.00 56.30 53.69 1fhb h ASN 92 Cb 0.72 0.07 -0.00 0.00 -2.08 0.00 0.00 38.32 37.02 1fhb h ASN 92 CO -1.02 0.06 -0.14 0.44 -2.08 0.00 0.00 177.43 174.70 1fhb h ASP 93 N 0.21 0.29 -0.28 6.14 3.32 -1.14 -2.18 116.42 122.78 1fhb h ASP 93 Ca 0.17 -0.52 0.06 0.00 0.02 0.00 0.00 57.03 56.76 1fhb h ASP 93 Cb 0.18 -0.08 -0.08 0.00 0.22 0.00 0.00 39.33 39.57 1fhb h ASP 93 CO -0.21 0.76 -0.36 0.25 -1.72 0.00 0.00 179.24 177.96 1fhb h LEU 94 N -0.17 -1.16 -0.43 1.55 5.85 -0.77 -0.11 115.31 120.08 1fhb h LEU 94 Ca 0.01 0.18 0.07 0.00 0.84 0.00 0.00 57.88 58.98 1fhb h LEU 94 Cb 0.69 0.51 -0.06 0.00 0.37 0.00 0.00 40.66 42.17 1fhb h LEU 94 CO 0.03 -0.36 0.10 0.40 -0.34 0.00 0.00 178.44 178.27 1fhb h ILE 95 N -0.35 0.79 -0.41 4.05 2.04 -0.62 0.86 117.51 123.87 1fhb h ILE 95 Ca 0.13 -0.08 0.08 0.00 1.00 0.00 0.00 64.86 65.99 1fhb h ILE 95 Cb 0.56 0.54 -0.07 0.00 -0.74 0.00 0.00 36.82 37.11 1fhb h ILE 95 CO -0.47 0.04 -0.02 0.74 0.00 0.00 0.00 178.15 178.44 1fhb h THR 96 N 0.23 0.67 0.23 -0.27 2.02 -0.59 0.20 112.91 115.40 1fhb h THR 96 Ca 0.21 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 67.35 1fhb h THR 96 Cb 0.25 0.57 -0.00 0.00 -1.74 0.00 0.00 68.15 67.23 1fhb h THR 96 CO -0.26 0.02 -0.13 0.22 0.37 0.00 0.00 175.52 175.73 1fhb h TYR 97 N 0.09 -0.34 -0.37 3.16 3.20 -0.34 -2.53 116.97 119.83 1fhb h TYR 97 Ca 0.20 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.11 1fhb h TYR 97 Cb 0.30 0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.65 1fhb h TYR 97 CO -0.29 -0.21 0.14 1.25 -1.64 0.00 0.00 178.16 177.42 1fhb h LEU 98 N -0.34 0.18 -0.58 2.82 5.85 -0.20 0.88 115.31 123.92 1fhb h LEU 98 Ca -0.03 0.03 0.12 0.00 0.84 0.00 0.00 57.88 58.85 1fhb h LEU 98 Cb 0.28 0.01 -0.10 0.00 0.37 0.00 0.00 40.66 41.21 1fhb h LEU 98 CO 0.03 0.14 -0.08 0.50 -0.34 0.00 0.00 178.44 178.69 1fhb h LYS 99 N 0.31 0.05 -0.17 1.25 3.64 -0.60 0.21 116.57 121.25 1fhb h LYS 99 Ca 0.16 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.49 1fhb h LYS 99 Cb 0.12 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1fhb h LYS 99 CO -0.15 0.03 -0.10 -0.22 -2.27 0.00 0.00 179.45 176.74 1fhb h LYS 100 N 0.05 0.36 -0.92 1.90 3.64 -0.81 -2.31 116.57 118.49 1fhb h LYS 100 Ca 0.29 -0.17 0.23 0.00 -1.27 0.00 0.00 60.65 59.73 1fhb h LYS 100 Cb 0.45 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.20 1fhb h LYS 100 CO -0.55 0.69 0.62 0.00 -2.27 0.00 0.00 179.45 177.94 1fhb h ALA 101 N 0.67 2.41 -0.87 5.00 0.00 -0.27 0.99 119.26 127.18 1fhb h ALA 101 Ca 0.04 0.01 -0.38 0.00 0.00 0.00 0.00 54.91 54.58 1fhb h ALA 101 Cb 0.59 0.01 -0.22 0.00 0.00 0.00 0.00 17.79 18.17 1fhb h ALA 101 CO 0.03 -0.70 0.48 0.45 0.00 0.00 0.00 179.25 179.51 1fhb n SER 102 N -4.45 4.21 -0.36 0.00 2.88 0.69 -4.62 113.62 111.97 1fhb n SER 102 Ca 0.20 -3.40 0.14 0.00 -1.33 0.00 0.00 58.87 54.49 1fhb n SER 102 Cb 0.81 -0.79 0.63 0.00 -0.75 0.00 0.00 64.21 64.10 1fhb n SER 102 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02