#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fhb s GLU -4 N 0.00 3.04 0.28 -2.82 2.12 -1.26 -5.01 118.70 115.05 1fhb s GLU -4 Ca 0.00 1.26 -0.30 0.00 0.36 0.00 0.00 54.97 56.29 1fhb s GLU -4 Cb 0.00 -1.99 -0.11 0.00 0.26 0.00 0.00 34.13 32.28 1fhb s GLU -4 CO 0.00 -1.04 1.61 0.12 -0.54 0.00 0.00 175.26 175.42 1fhb s PHE -3 N -2.47 2.78 0.01 5.30 2.19 -1.26 -5.03 117.98 119.51 1fhb s PHE -3 Ca 0.64 0.71 0.06 0.00 0.33 0.00 0.00 56.93 58.68 1fhb s PHE -3 Cb -0.18 -4.08 -0.03 0.00 -1.31 0.00 0.00 43.02 37.43 1fhb s PHE -3 CO 0.41 -3.71 -0.18 -1.59 1.83 0.00 0.00 175.22 171.98 1fhb s LYS -2 N -0.20 2.18 0.72 10.12 0.00 -1.26 -5.12 119.74 126.17 1fhb s LYS -2 Ca 0.65 -0.91 -0.13 0.00 0.00 0.00 0.00 55.97 55.58 1fhb s LYS -2 Cb -0.48 -2.22 0.03 0.00 0.00 0.00 0.00 37.83 35.16 1fhb s LYS -2 CO 0.45 0.56 1.12 0.00 0.00 0.00 0.00 175.35 177.48 1fhb s ALA -1 N -0.85 2.29 0.00 0.59 0.00 -1.26 -5.08 121.76 117.45 1fhb s ALA -1 Ca 0.13 0.52 0.00 0.00 0.00 0.00 0.00 51.96 52.61 1fhb s ALA -1 Cb -0.10 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.68 1fhb s ALA -1 CO 0.04 -1.60 0.00 0.41 0.00 0.00 0.00 175.76 174.60 1fhb n GLY 1 N -0.54 0.71 0.21 0.00 0.00 -1.26 -4.97 105.19 99.33 1fhb n GLY 1 Ca 0.11 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.22 1fhb n GLY 1 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1fhb h SER 2 N 0.00 0.00 0.00 1.61 0.02 -1.90 -3.47 113.55 109.81 1fhb h SER 2 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1fhb h SER 2 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1fhb h SER 2 CO 0.00 0.21 0.00 0.00 -1.14 0.00 0.00 176.83 175.90 1fhb n ALA 3 N -2.17 0.00 -0.52 3.77 0.00 -1.26 -4.76 120.51 115.56 1fhb n ALA 3 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.16 1fhb n ALA 3 Cb 0.52 0.00 0.27 0.00 0.00 0.00 0.00 19.45 20.25 1fhb n ALA 3 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1fhb s LYS 4 N 0.00 -2.22 0.00 0.00 -2.85 -1.26 -4.06 119.74 109.35 1fhb s LYS 4 Ca 0.00 0.27 0.00 0.00 -1.00 0.00 0.00 55.97 55.24 1fhb s LYS 4 Cb 0.00 -1.45 0.00 0.00 -2.06 0.00 0.00 37.83 34.32 1fhb s LYS 4 CO 0.00 -4.44 0.00 1.17 0.10 0.00 0.00 175.35 172.18 1fhb n LYS 5 N -5.34 0.00 -0.24 1.78 3.00 -1.26 -4.47 118.16 111.62 1fhb n LYS 5 Ca 0.10 0.00 0.12 0.00 -0.00 0.00 0.00 58.31 58.54 1fhb n LYS 5 Cb 0.59 0.00 0.40 0.00 0.00 0.00 0.00 35.03 36.02 1fhb n LYS 5 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1fhb h GLY 6 N 0.00 1.08 0.48 3.14 0.00 -1.72 0.68 103.07 106.74 1fhb h GLY 6 Ca 0.00 -0.27 0.05 0.00 0.00 0.00 0.00 47.33 47.10 1fhb h GLY 6 CO 0.00 0.09 -0.09 0.00 0.00 0.00 0.00 176.54 176.54 1fhb h ALA 7 N 1.61 0.10 -0.46 3.60 0.00 -1.78 0.11 119.26 122.43 1fhb h ALA 7 Ca 0.43 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.41 1fhb h ALA 7 Cb 0.73 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1fhb h ALA 7 CO -0.18 -0.51 0.24 1.15 0.00 0.00 0.00 179.25 179.96 1fhb h THR 8 N -0.05 1.17 0.09 0.00 2.02 -1.28 0.37 112.91 115.22 1fhb h THR 8 Ca 0.11 -0.44 0.00 0.00 0.77 0.00 0.00 66.41 66.86 1fhb h THR 8 Cb 0.22 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 1fhb h THR 8 CO -0.26 0.18 -0.09 -0.07 0.37 0.00 0.00 175.52 175.65 1fhb h LEU 9 N 0.60 -0.25 -0.40 2.58 -0.00 -0.90 0.13 115.31 117.07 1fhb h LEU 9 Ca 0.16 0.03 0.08 0.00 -0.00 0.00 0.00 57.88 58.15 1fhb h LEU 9 Cb 0.07 0.09 -0.09 0.00 -0.00 0.00 0.00 40.66 40.73 1fhb h LEU 9 CO -0.02 -0.15 -0.25 0.15 -0.00 0.00 0.00 178.44 178.17 1fhb h PHE 10 N -0.21 -0.64 -0.47 1.13 3.57 -0.57 0.27 116.94 120.01 1fhb h PHE 10 Ca 0.01 0.05 0.03 0.00 3.53 0.00 0.00 57.97 61.58 1fhb h PHE 10 Cb 0.20 0.34 -0.03 0.00 2.79 0.00 0.00 35.95 39.26 1fhb h PHE 10 CO -0.11 -0.32 0.31 0.87 -2.23 0.00 0.00 178.31 176.83 1fhb h LYS 11 N -0.18 0.52 0.00 1.11 1.57 -0.09 0.17 116.57 119.68 1fhb h LYS 11 Ca 0.19 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1fhb h LYS 11 Cb 0.48 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1fhb h LYS 11 CO -0.50 0.35 -0.73 0.25 -0.57 0.00 0.00 179.45 178.24 1fhb n THR 12 N -4.47 0.04 0.00 -0.16 -2.24 0.37 -4.41 114.28 103.40 1fhb n THR 12 Ca 0.05 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1fhb n THR 12 Cb 0.13 0.45 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 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 -1.59 0.00 -0.13 -0.78 1.74 -0.00 -4.93 116.66 110.97 1fhb n ARG 13 Ca 0.04 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.89 1fhb n ARG 13 Cb 0.35 -0.64 -0.11 0.00 -1.02 0.00 0.00 32.46 31.05 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 -0.46 0.56 -0.82 0.00 6.46 -1.17 0.60 115.31 120.47 1fhb h LEU 15 Ca -0.62 0.13 0.17 0.00 -0.12 0.00 0.00 57.88 57.44 1fhb h LEU 15 Cb 1.76 0.04 -0.15 0.00 -0.73 0.00 0.00 40.66 41.58 1fhb h LEU 15 CO -0.23 0.05 -0.16 0.06 -0.62 0.00 0.00 178.44 177.54 1fhb h GLN 16 N 0.46 0.01 0.00 1.25 3.07 -1.80 -3.19 115.11 114.91 1fhb h GLN 16 Ca 0.65 -0.00 -0.38 0.00 0.09 0.00 0.00 58.65 59.01 1fhb h GLN 16 Cb 1.45 -0.00 -0.07 0.00 0.08 0.00 0.00 27.48 28.94 1fhb h GLN 16 CO -0.43 0.01 -2.42 0.00 0.09 0.00 0.00 178.83 176.08 1fhb n HIS 18 N -3.00 -0.90 -3.99 0.00 8.25 -0.33 -0.90 115.22 114.35 1fhb n HIS 18 Ca -0.39 -2.16 -0.09 0.00 -0.26 0.00 0.00 57.72 54.82 1fhb n HIS 18 Cb 1.08 -0.44 -0.10 0.00 1.12 0.00 0.00 29.99 31.65 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 -2.55 0.15 -0.02 1.59 -4.23 -1.26 -4.48 115.64 104.84 1fhb s THR 19 Ca 0.34 -1.22 0.10 0.00 -1.18 0.00 0.00 61.69 59.72 1fhb s THR 19 Cb -0.03 -0.85 -0.15 0.00 1.34 0.00 0.00 72.50 72.82 1fhb s THR 19 CO 0.21 -0.67 0.19 0.52 -0.54 0.00 0.00 174.62 174.33 1fhb n VAL 20 N 0.87 0.08 -0.86 2.29 0.31 -1.26 -0.62 118.33 119.14 1fhb n VAL 20 Ca -0.19 -0.24 -0.31 0.00 -0.01 0.00 0.00 64.34 63.58 1fhb n VAL 20 Cb 0.58 0.14 0.15 0.00 -0.91 0.00 0.00 33.84 33.80 1fhb n VAL 20 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1fhb s GLU 21 N -2.62 1.36 0.07 5.55 2.02 -1.26 -3.93 118.70 119.89 1fhb s GLU 21 Ca -0.04 1.43 -0.35 0.00 0.02 0.00 0.00 54.97 56.04 1fhb s GLU 21 Cb 0.06 -1.77 -0.14 0.00 0.10 0.00 0.00 34.13 32.37 1fhb s GLU 21 CO 0.40 -2.36 1.60 1.63 0.02 0.00 0.00 175.26 176.55 1fhb n LYS 22 N -4.04 1.89 0.00 1.61 5.02 -1.26 -3.71 118.16 117.67 1fhb n LYS 22 Ca 0.11 0.69 0.00 0.00 -2.02 0.00 0.00 58.31 57.09 1fhb n LYS 22 Cb 0.52 -2.44 0.00 0.00 -0.02 0.00 0.00 35.03 33.09 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 3.47 1.62 1.53 0.72 0.00 -1.26 -4.93 105.19 106.35 1fhb n GLY 23 Ca 0.19 0.17 0.06 0.00 0.00 0.00 0.00 46.02 46.44 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 -3.84 3.71 -0.02 0.00 -1.24 -4.68 105.19 99.12 1fhb n GLY 24 Ca 0.00 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.68 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 -5.03 4.39 -1.48 1.61 0.04 -1.26 -4.73 135.00 128.54 1fhb s PRO 25 Ca 0.00 1.87 -0.10 0.00 0.04 0.00 0.00 61.00 62.81 1fhb s PRO 25 Cb 0.00 -3.32 -0.07 0.00 0.04 0.00 0.00 34.50 31.14 1fhb s PRO 25 CO 0.00 -0.33 2.73 0.72 0.04 0.00 0.00 177.00 180.16 1fhb n HIS 26 N 4.00 2.35 0.00 0.56 8.25 -1.26 -4.47 115.22 124.64 1fhb n HIS 26 Ca 0.10 -2.87 0.00 0.00 -0.26 0.00 0.00 57.72 54.69 1fhb n HIS 26 Cb 0.45 -2.35 0.00 0.00 1.12 0.00 0.00 29.99 29.21 1fhb n HIS 26 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1fhb n LYS 27 N 4.01 0.00 -0.08 -0.41 5.02 -1.26 -4.53 118.16 120.91 1fhb n LYS 27 Ca 0.70 0.33 -0.17 0.00 -2.02 0.00 0.00 58.31 57.15 1fhb n LYS 27 Cb 0.23 -1.11 -0.06 0.00 -0.02 0.00 0.00 35.03 34.07 1fhb n LYS 27 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1fhb n VAL 28 N -1.10 0.93 -4.04 -0.18 0.31 -0.69 -5.02 118.33 108.55 1fhb n VAL 28 Ca 0.00 -0.25 -0.26 0.00 -0.01 0.00 0.00 64.34 63.82 1fhb n VAL 28 Cb 0.00 -1.64 -0.05 0.00 -0.91 0.00 0.00 33.84 31.25 1fhb n VAL 28 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1fhb s GLY 29 N -5.34 1.71 0.58 2.92 0.00 -0.08 -4.99 107.32 102.13 1fhb s GLY 29 Ca -0.23 -1.16 -0.18 0.00 0.00 0.00 0.00 44.72 43.15 1fhb s GLY 29 CO 0.31 -1.16 1.11 2.56 0.00 0.00 0.00 173.10 175.91 1fhb s PRO 30 N -3.15 3.19 0.27 2.90 0.04 -1.26 -4.41 135.00 132.57 1fhb s PRO 30 Ca 0.32 1.47 -0.31 0.00 0.04 0.00 0.00 61.00 62.53 1fhb s PRO 30 Cb -0.10 -2.00 -0.12 0.00 0.04 0.00 0.00 34.50 32.32 1fhb s PRO 30 CO 0.25 -0.95 1.61 -1.71 0.04 0.00 0.00 177.00 176.24 1fhb n ASN 31 N -1.74 3.79 -1.41 6.66 2.85 -1.26 -4.53 115.26 119.62 1fhb n ASN 31 Ca 0.11 1.13 0.10 0.00 -0.11 0.00 0.00 54.58 55.81 1fhb n ASN 31 Cb 0.52 -1.57 0.33 0.00 1.24 0.00 0.00 39.78 40.29 1fhb n ASN 31 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1fhb n LEU 32 N 2.58 4.26 -4.75 1.20 4.77 0.21 -4.92 117.00 120.34 1fhb n LEU 32 Ca 0.11 -2.20 -0.41 0.00 -0.03 0.00 0.00 56.01 53.47 1fhb n LEU 32 Cb 0.36 -0.52 -0.02 0.00 -2.33 0.00 0.00 43.42 40.91 1fhb n LEU 32 CO 0.64 0.90 1.10 -2.28 -1.33 0.00 0.00 177.39 176.42 1fhb s HIS 33 N -1.38 2.97 -1.95 -1.77 2.46 -1.25 -2.12 115.29 112.24 1fhb s HIS 33 Ca 0.49 1.06 0.00 0.00 0.47 0.00 0.00 55.06 57.08 1fhb s HIS 33 Cb 0.28 -3.84 0.00 0.00 -0.13 0.00 0.00 32.58 28.89 1fhb s HIS 33 CO 0.28 -2.68 0.00 0.41 -2.47 0.00 0.00 174.74 170.29 1fhb n GLY 34 N 1.90 0.98 0.32 1.59 0.00 0.55 -4.90 105.19 105.64 1fhb n GLY 34 Ca 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.03 1fhb n GLY 34 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1fhb h ILE 35 N 0.00 1.24 -0.34 -0.61 6.09 -1.68 -3.35 117.51 118.86 1fhb h ILE 35 Ca -0.43 -0.59 -0.63 0.00 -1.37 0.00 0.00 64.86 61.83 1fhb h ILE 35 Cb 1.31 0.18 -0.04 0.00 0.47 0.00 0.00 36.82 38.75 1fhb h ILE 35 CO 0.58 0.26 2.38 0.49 -3.07 0.00 0.00 178.15 178.79 1fhb n PHE 36 N -4.42 3.46 0.03 2.19 3.01 -1.26 -3.61 117.46 116.85 1fhb n PHE 36 Ca 0.08 -2.49 0.00 0.00 1.01 0.00 0.00 57.45 56.05 1fhb n PHE 36 Cb 0.10 -2.43 0.00 0.00 -0.01 0.00 0.00 39.48 37.13 1fhb n PHE 36 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1fhb n GLY 37 N 4.84 -1.63 3.84 1.37 0.00 -1.26 -5.05 105.19 107.30 1fhb n GLY 37 Ca 0.50 0.61 -0.32 0.00 0.00 0.00 0.00 46.02 46.80 1fhb n GLY 37 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1fhb s ARG 38 N -1.77 4.04 0.99 1.61 3.03 -1.24 -4.93 118.95 120.68 1fhb s ARG 38 Ca 0.00 0.95 -0.12 0.00 2.03 0.00 0.00 55.73 58.60 1fhb s ARG 38 Cb 0.00 -2.19 0.19 0.00 -1.03 0.00 0.00 34.95 31.91 1fhb s ARG 38 CO 0.00 -0.14 1.08 -0.65 -1.13 0.00 0.00 175.30 174.46 1fhb s GLN 39 N -3.66 0.46 0.83 3.89 -0.21 -1.26 -4.47 119.66 115.25 1fhb s GLN 39 Ca 0.59 0.94 -0.11 0.00 0.02 0.00 0.00 55.36 56.80 1fhb s GLN 39 Cb -0.10 -1.71 0.09 0.00 1.00 0.00 0.00 33.01 32.30 1fhb s GLN 39 CO 0.24 -2.82 1.10 -1.54 -2.12 0.00 0.00 175.29 170.15 1fhb s SER 40 N -3.01 3.88 -0.95 5.90 1.04 0.17 -4.20 113.70 116.53 1fhb s SER 40 Ca 0.66 1.85 -0.03 0.00 0.48 0.00 0.00 55.95 58.92 1fhb s SER 40 Cb -0.21 -2.48 -0.03 0.00 0.10 0.00 0.00 66.02 63.40 1fhb s SER 40 CO 0.60 -2.44 0.81 0.61 0.98 0.00 0.00 173.24 173.79 1fhb n GLY 41 N -0.81 -0.54 0.44 7.32 0.00 -1.26 -4.62 105.19 105.72 1fhb n GLY 41 Ca 0.09 0.23 -0.12 0.00 0.00 0.00 0.00 46.02 46.22 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 -3.29 0.28 -1.23 1.61 -0.00 -1.26 -4.78 117.38 108.71 1fhb n GLN 42 Ca -0.15 0.11 -0.36 0.00 -0.00 0.00 0.00 57.00 56.59 1fhb n GLN 42 Cb 0.62 -1.04 -0.02 0.00 -0.00 0.00 0.00 30.24 29.79 1fhb n GLN 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1fhb n ALA 43 N -3.37 5.50 -0.29 2.61 0.00 -1.26 -4.75 120.51 118.95 1fhb n ALA 43 Ca -0.24 -3.17 0.24 0.00 0.00 0.00 0.00 53.44 50.26 1fhb n ALA 43 Cb 0.69 -3.37 0.56 0.00 0.00 0.00 0.00 19.45 17.33 1fhb n ALA 43 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1fhb h GLU 44 N 6.15 0.31 -0.34 0.00 4.81 -2.02 0.17 114.58 123.66 1fhb h GLU 44 Ca 0.61 -0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.92 1fhb h GLU 44 Cb 0.41 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 1fhb h GLU 44 CO 1.76 0.20 0.27 0.78 -0.73 0.00 0.00 179.01 181.29 1fhb h GLY 45 N 0.32 0.00 -2.93 1.92 0.00 -2.02 -3.43 103.07 96.94 1fhb h GLY 45 Ca 0.55 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 47.37 1fhb h GLY 45 CO -0.21 0.00 -0.03 -0.47 0.00 0.00 0.00 176.54 175.83 1fhb s TYR 46 N -4.93 3.47 -0.83 5.60 5.04 0.05 -4.99 117.35 120.76 1fhb s TYR 46 Ca -0.05 0.84 -0.25 0.00 -2.44 0.00 0.00 57.07 55.17 1fhb s TYR 46 Cb 0.18 -2.26 -0.07 0.00 0.35 0.00 0.00 41.96 40.16 1fhb s TYR 46 CO 0.67 0.07 2.06 -1.54 -1.34 0.00 0.00 175.55 175.47 1fhb s SER 47 N -3.07 4.84 0.02 4.32 1.04 -1.26 -4.92 113.70 114.67 1fhb s SER 47 Ca 0.47 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.57 1fhb s SER 47 Cb -0.11 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.46 1fhb s SER 47 CO 0.29 -2.97 0.00 -1.22 0.98 0.00 0.00 173.24 170.32 1fhb n TYR 48 N 15.00 -1.56 -4.27 5.02 4.01 -1.26 -5.05 117.16 129.05 1fhb n TYR 48 Ca 0.39 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.94 1fhb n TYR 48 Cb 0.47 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.37 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 1.39 1.20 0.17 -0.72 -4.23 -1.26 -5.03 115.64 107.16 1fhb s THR 49 Ca 0.00 -1.21 -0.20 0.00 -1.18 0.00 0.00 61.69 59.10 1fhb s THR 49 Cb 0.00 -1.12 0.10 0.00 1.34 0.00 0.00 72.50 72.82 1fhb s THR 49 CO 0.00 -0.10 1.62 -0.78 -0.54 0.00 0.00 174.62 174.82 1fhb h ASP 50 N 4.54 -0.80 -0.63 3.99 3.58 -2.00 -2.85 116.42 122.24 1fhb h ASP 50 Ca -0.40 0.17 0.13 0.00 0.42 0.00 0.00 57.03 57.34 1fhb h ASP 50 Cb 1.18 0.41 -0.12 0.00 1.72 0.00 0.00 39.33 42.53 1fhb h ASP 50 CO 0.42 -0.26 -0.18 0.00 -2.88 0.00 0.00 179.24 176.34 1fhb h ALA 51 N 1.05 0.38 0.08 -0.78 0.00 -1.92 0.21 119.26 118.28 1fhb h ALA 51 Ca 0.20 0.24 0.01 0.00 0.00 0.00 0.00 54.91 55.36 1fhb h ALA 51 Cb 0.47 0.51 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1fhb h ALA 51 CO -0.51 -0.45 -0.16 -0.97 0.00 0.00 0.00 179.25 177.16 1fhb h ASN 52 N -0.02 -0.45 -0.11 0.00 -0.73 -1.67 0.21 115.58 112.82 1fhb h ASN 52 Ca 0.30 0.06 0.04 0.00 1.87 0.00 0.00 56.30 58.57 1fhb h ASN 52 Cb 0.48 0.17 -0.06 0.00 0.27 0.00 0.00 38.32 39.18 1fhb h ASN 52 CO -0.66 -0.23 -0.33 0.40 -0.37 0.00 0.00 177.43 176.24 1fhb h ILE 53 N -0.31 0.28 -0.53 2.57 2.04 -0.80 -0.39 117.51 120.37 1fhb h ILE 53 Ca 0.03 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.90 1fhb h ILE 53 Cb 0.33 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 1fhb h ILE 53 CO -0.10 0.00 0.35 0.11 0.00 0.00 0.00 178.15 178.51 1fhb h LYS 54 N -0.42 0.68 -0.98 2.37 1.57 -0.52 0.56 116.57 119.84 1fhb h LYS 54 Ca 0.09 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.77 1fhb h LYS 54 Cb 0.55 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.67 1fhb h LYS 54 CO -0.34 0.45 0.08 1.17 -0.57 0.00 0.00 179.45 180.24 1fhb n LYS 55 N -4.46 1.29 -0.42 3.15 3.00 0.73 -4.94 118.16 116.52 1fhb n LYS 55 Ca 0.05 -0.48 -0.12 0.00 -0.00 0.00 0.00 58.31 57.77 1fhb n LYS 55 Cb 0.06 -1.28 -0.04 0.00 0.00 0.00 0.00 35.03 33.77 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 0.21 0.08 -4.11 3.14 0.23 0.19 -4.89 115.26 110.11 1fhb n ASN 56 Ca 0.08 0.05 -0.29 0.00 -0.53 0.00 0.00 54.58 53.90 1fhb n ASN 56 Cb 0.62 -0.26 -0.17 0.00 -2.08 0.00 0.00 39.78 37.89 1fhb n ASN 56 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1fhb s VAL 57 N 2.52 1.60 0.64 3.53 1.01 -1.26 -4.89 120.40 123.55 1fhb s VAL 57 Ca 0.38 -0.74 0.37 0.00 0.00 0.00 0.00 61.98 61.99 1fhb s VAL 57 Cb -0.35 -1.43 0.39 0.00 0.00 0.00 0.00 36.38 34.99 1fhb s VAL 57 CO 0.14 0.46 2.23 0.25 0.00 0.00 0.00 175.10 178.18 1fhb h LEU 58 N 7.04 0.00 -1.82 3.92 7.12 -1.91 0.47 115.31 130.14 1fhb h LEU 58 Ca -0.27 0.00 -0.30 0.00 0.13 0.00 0.00 57.88 57.44 1fhb h LEU 58 Cb 1.20 0.00 0.17 0.00 -0.53 0.00 0.00 40.66 41.50 1fhb h LEU 58 CO 0.48 0.00 -0.75 0.79 -0.13 0.00 0.00 178.44 178.83 1fhb n TRP 59 N -3.34 -2.15 -1.73 1.25 5.03 -1.26 -4.15 117.44 111.08 1fhb n TRP 59 Ca -0.02 0.88 -0.29 0.00 3.03 0.00 0.00 57.50 61.11 1fhb n TRP 59 Cb 0.17 -4.78 0.11 0.00 -1.03 0.00 0.00 31.31 25.78 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 -4.12 4.00 0.17 -0.99 -4.77 -1.26 -4.41 116.67 105.29 1fhb s ASP 60 Ca 0.08 0.85 -0.14 0.00 -3.30 0.00 0.00 52.55 50.04 1fhb s ASP 60 Cb -0.01 -1.37 0.06 0.00 -1.09 0.00 0.00 42.92 40.51 1fhb s ASP 60 CO 0.70 -2.23 1.83 -0.08 0.70 0.00 0.00 175.17 176.09 1fhb h GLU 61 N -1.28 0.68 -0.11 2.11 4.22 -1.97 0.32 114.58 118.54 1fhb h GLU 61 Ca -0.48 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 58.92 1fhb h GLU 61 Cb 1.33 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 1fhb h GLU 61 CO 0.63 0.45 0.07 -0.97 -2.18 0.00 0.00 179.01 177.02 1fhb h ASN 62 N 0.70 0.13 -0.16 1.04 -0.73 -1.99 0.24 115.58 114.81 1fhb h ASN 62 Ca 0.19 -0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.33 1fhb h ASN 62 Cb -0.08 -0.03 -0.01 0.00 0.27 0.00 0.00 38.32 38.47 1fhb h ASN 62 CO -0.04 0.09 0.02 0.78 -0.37 0.00 0.00 177.43 177.91 1fhb h ASN 63 N 0.15 0.25 -0.69 1.15 2.35 -1.94 -2.76 115.58 114.09 1fhb h ASN 63 Ca 0.04 -0.27 0.08 0.00 -0.55 0.00 0.00 56.30 55.60 1fhb h ASN 63 Cb -0.02 -0.07 -0.07 0.00 0.05 0.00 0.00 38.32 38.22 1fhb h ASN 63 CO -0.01 0.46 0.36 -0.03 -1.65 0.00 0.00 177.43 176.56 1fhb h MET 64 N 0.04 0.60 0.12 0.81 4.05 -0.69 -0.62 114.93 119.24 1fhb h MET 64 Ca 0.05 -0.04 0.02 0.00 -0.28 0.00 0.00 59.70 59.45 1fhb h MET 64 Cb 0.32 -0.14 -0.05 0.00 -0.80 0.00 0.00 31.60 30.94 1fhb h MET 64 CO 0.00 0.40 -0.44 1.03 0.23 0.00 0.00 176.91 178.13 1fhb h SER 65 N 0.62 -1.30 0.33 1.39 0.87 -0.39 0.16 113.55 115.22 1fhb h SER 65 Ca 0.33 0.14 -0.00 0.00 -1.23 0.00 0.00 61.79 61.04 1fhb h SER 65 Cb 0.32 0.49 -0.02 0.00 -0.44 0.00 0.00 62.40 62.74 1fhb h SER 65 CO -0.24 -0.51 -0.31 -0.08 -0.53 0.00 0.00 176.83 175.16 1fhb h GLU 66 N -0.68 -0.64 -0.32 2.24 4.22 -1.19 -1.19 114.58 117.02 1fhb h GLU 66 Ca 0.02 0.04 0.06 0.00 0.08 0.00 0.00 59.36 59.56 1fhb h GLU 66 Cb 0.70 0.15 -0.08 0.00 0.50 0.00 0.00 28.75 30.02 1fhb h GLU 66 CO -0.25 -0.43 -0.47 -0.92 -2.18 0.00 0.00 179.01 174.76 1fhb h TYR 67 N -0.67 -1.39 -0.84 0.92 3.20 -0.85 0.35 116.97 117.68 1fhb h TYR 67 Ca -0.02 0.07 0.08 0.00 3.14 0.00 0.00 58.73 62.00 1fhb h TYR 67 Cb 0.60 0.65 -0.07 0.00 1.54 0.00 0.00 36.73 39.46 1fhb h TYR 67 CO -0.18 -0.47 0.51 -0.07 -1.64 0.00 0.00 178.16 176.30 1fhb h LEU 68 N -0.41 0.76 -1.41 2.82 4.07 -0.61 0.19 115.31 120.72 1fhb h LEU 68 Ca 0.10 0.03 -0.06 0.00 0.08 0.00 0.00 57.88 58.03 1fhb h LEU 68 Cb 0.61 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 42.22 1fhb h LEU 68 CO -0.53 0.46 -0.29 0.74 -1.08 0.00 0.00 178.44 177.74 1fhb h THR 69 N 0.89 1.12 -1.03 0.22 2.02 0.26 0.13 112.91 116.52 1fhb h THR 69 Ca 0.39 -1.04 -0.15 0.00 0.77 0.00 0.00 66.41 66.37 1fhb h THR 69 Cb 0.27 1.57 -0.17 0.00 -1.74 0.00 0.00 68.15 68.08 1fhb h THR 69 CO -0.21 0.29 -0.50 0.21 0.37 0.00 0.00 175.52 175.68 1fhb s ASN 70 N -6.83 -1.39 0.00 4.18 3.84 0.10 -3.88 114.94 110.97 1fhb s ASN 70 Ca -0.03 -1.70 0.00 0.00 0.21 0.00 0.00 52.86 51.34 1fhb s ASN 70 Cb 0.14 1.85 0.00 0.00 -0.55 0.00 0.00 41.25 42.70 1fhb s ASN 70 CO 0.70 -0.06 0.28 -0.81 -2.79 0.00 0.00 177.10 174.41 1fhb n PRO 71 N 3.04 0.35 0.00 0.43 -0.04 0.50 -2.19 135.00 137.09 1fhb n PRO 71 Ca 0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 1fhb n PRO 71 Cb 0.56 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.76 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 0.61 0.00 -0.22 0.54 4.81 -1.26 -0.46 118.16 122.18 1fhb n LYS 73 Ca 0.00 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.36 1fhb n LYS 73 Cb 0.14 0.00 0.03 0.00 0.02 0.00 0.00 35.03 35.22 1fhb n LYS 73 CO 0.00 0.00 0.00 -0.92 1.17 0.00 0.00 177.40 177.65 1fhb h TYR 74 N 0.00 1.13 -3.49 5.64 3.20 -1.80 -3.34 116.97 118.31 1fhb h TYR 74 Ca 0.00 -0.16 -0.67 0.00 3.14 0.00 0.00 58.73 61.04 1fhb h TYR 74 Cb 0.00 -0.31 -0.38 0.00 1.54 0.00 0.00 36.73 37.58 1fhb h TYR 74 CO 0.00 0.96 -0.55 0.42 -1.64 0.00 0.00 178.16 177.35 1fhb s ILE 75 N -5.18 2.97 -1.12 1.81 1.01 0.40 -5.02 121.20 116.05 1fhb s ILE 75 Ca -0.12 -2.91 -0.18 0.00 0.00 0.00 0.00 60.65 57.44 1fhb s ILE 75 Cb 0.14 -3.03 -0.06 0.00 0.01 0.00 0.00 42.46 39.52 1fhb s ILE 75 CO 0.84 -0.78 2.05 -0.81 0.00 0.00 0.00 174.94 176.25 1fhb n PRO 76 N 3.58 2.19 0.00 2.79 -0.04 -1.25 -3.59 135.00 138.68 1fhb n PRO 76 Ca 0.05 -2.29 0.00 0.00 -0.04 0.00 0.00 63.50 61.22 1fhb n PRO 76 Cb 0.37 -3.15 0.00 0.00 -0.04 0.00 0.00 33.50 30.67 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 4.45 -0.81 2.95 0.55 0.00 -1.26 -4.93 105.19 106.14 1fhb n GLY 77 Ca 0.50 0.25 -0.13 0.00 0.00 0.00 0.00 46.02 46.65 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 -0.01 0.38 2.61 -1.32 -1.24 -4.12 115.64 111.95 1fhb s THR 78 Ca 0.00 0.04 0.09 0.00 -1.21 0.00 0.00 61.69 60.61 1fhb s THR 78 Cb 0.00 -0.15 0.17 0.00 -1.51 0.00 0.00 72.50 71.01 1fhb s THR 78 CO 0.00 0.02 1.93 0.50 -2.21 0.00 0.00 174.62 174.86 1fhb h LYS 79 N 6.28 0.31 -6.06 7.08 3.11 -1.96 -3.45 116.57 121.87 1fhb h LYS 79 Ca -0.29 -0.06 -0.79 0.00 -2.81 0.00 0.00 60.65 56.70 1fhb h LYS 79 Cb 1.19 -0.05 0.03 0.00 -1.00 0.00 0.00 32.23 32.41 1fhb h LYS 79 CO 0.45 0.39 0.41 0.00 -2.81 0.00 0.00 179.45 177.89 1fhb n ALA 80 N -2.49 -2.15 -3.06 5.00 0.00 -1.26 -4.96 120.51 111.60 1fhb n ALA 80 Ca -0.00 0.53 0.02 0.00 0.00 0.00 0.00 53.44 54.00 1fhb n ALA 80 Cb 0.24 -1.91 -0.00 0.00 0.00 0.00 0.00 19.45 17.77 1fhb n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fhb s ALA 81 N 1.38 -3.26 0.00 0.00 0.00 -1.26 -5.00 121.76 113.62 1fhb s ALA 81 Ca 0.95 0.85 0.00 0.00 0.00 0.00 0.00 51.96 53.76 1fhb s ALA 81 Cb -1.26 -2.81 0.00 0.00 0.00 0.00 0.00 23.12 19.05 1fhb s ALA 81 CO 0.64 -2.22 0.00 1.97 0.00 0.00 0.00 175.76 176.14 1fhb n PHE 82 N 4.46 0.00 0.00 0.00 1.16 -1.26 -5.11 117.46 116.71 1fhb n PHE 82 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.66 1fhb n PHE 82 Cb 0.59 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.46 1fhb n PHE 82 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1fhb n GLY 83 N 0.63 0.41 3.56 4.97 0.00 -1.26 -5.06 105.19 108.44 1fhb n GLY 83 Ca 0.00 -0.77 -0.44 0.00 0.00 0.00 0.00 46.02 44.81 1fhb n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fhb n GLY 84 N 0.47 -0.53 3.55 -0.02 0.00 -1.26 -4.83 105.19 102.57 1fhb n GLY 84 Ca 0.00 0.26 -0.36 0.00 0.00 0.00 0.00 46.02 45.91 1fhb n GLY 84 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fhb s LEU 85 N 0.65 3.26 -0.02 0.99 1.43 0.44 -4.85 118.68 120.57 1fhb s LEU 85 Ca 0.60 -0.02 -0.25 0.00 -1.03 0.00 0.00 54.13 53.43 1fhb s LEU 85 Cb -0.68 -2.54 -0.20 0.00 0.03 0.00 0.00 46.19 42.80 1fhb s LEU 85 CO 0.59 -2.38 1.22 0.11 0.23 0.00 0.00 176.35 176.12 1fhb h LYS 86 N 13.52 -0.06 -5.89 1.70 1.79 -1.88 -3.37 116.57 122.39 1fhb h LYS 86 Ca -0.17 0.00 -0.47 0.00 -2.18 0.00 0.00 60.65 57.83 1fhb h LYS 86 Cb 1.11 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.75 1fhb h LYS 86 CO 1.23 0.41 1.34 0.15 -1.08 0.00 0.00 179.45 181.50 1fhb s LYS 87 N -4.20 2.51 0.44 3.15 -0.14 -1.26 -4.82 119.74 115.41 1fhb s LYS 87 Ca -0.15 0.68 0.11 0.00 -1.36 0.00 0.00 55.97 55.24 1fhb s LYS 87 Cb 0.02 -4.48 0.96 0.00 -1.68 0.00 0.00 37.83 32.65 1fhb s LYS 87 CO 0.64 -2.91 2.02 1.49 -0.76 0.00 0.00 175.35 175.84 1fhb h GLU 88 N 15.46 0.23 0.44 1.68 4.81 -1.99 -0.91 114.58 134.31 1fhb h GLU 88 Ca -0.23 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 58.95 1fhb h GLU 88 Cb 1.17 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.51 1fhb h GLU 88 CO 1.20 0.25 -0.21 -0.22 -0.73 0.00 0.00 179.01 179.30 1fhb h LYS 89 N 0.23 -0.57 -0.27 1.92 1.63 -1.98 0.18 116.57 117.70 1fhb h LYS 89 Ca 0.06 0.04 0.06 0.00 -0.85 0.00 0.00 60.65 59.96 1fhb h LYS 89 Cb 0.15 0.13 -0.08 0.00 -0.60 0.00 0.00 32.23 31.84 1fhb h LYS 89 CO 0.00 -0.27 -0.31 -0.44 -3.45 0.00 0.00 179.45 174.98 1fhb h ASP 90 N -0.84 -0.99 -0.46 4.20 5.19 -1.94 0.13 116.42 121.71 1fhb h ASP 90 Ca -0.06 0.16 0.09 0.00 -0.62 0.00 0.00 57.03 56.61 1fhb h ASP 90 Cb 0.56 0.45 -0.10 0.00 0.18 0.00 0.00 39.33 40.42 1fhb h ASP 90 CO 0.10 -0.33 -0.22 -0.09 -3.12 0.00 0.00 179.24 175.58 1fhb h ARG 91 N -0.30 -0.12 -0.63 3.56 2.43 -1.08 0.83 114.38 119.06 1fhb h ARG 91 Ca 0.14 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.25 1fhb h ARG 91 Cb 0.53 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.08 1fhb h ARG 91 CO -0.44 -0.08 0.12 -0.91 -1.51 0.00 0.00 179.97 177.15 1fhb h ASN 92 N -0.13 0.96 -0.10 -3.80 2.35 0.69 0.29 115.58 115.85 1fhb h ASN 92 Ca 0.22 -0.21 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1fhb h ASN 92 Cb 0.47 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.58 1fhb h ASN 92 CO -0.54 0.95 0.06 0.44 -1.65 0.00 0.00 177.43 176.69 1fhb h ASP 93 N 0.96 0.11 0.31 5.81 3.32 -0.47 0.18 116.42 126.65 1fhb h ASP 93 Ca 0.20 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.24 1fhb h ASP 93 Cb 0.38 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.87 1fhb h ASP 93 CO 0.01 0.09 -0.45 0.25 -1.72 0.00 0.00 179.24 177.42 1fhb h LEU 94 N 0.12 -1.26 -1.23 1.55 5.85 -0.34 -0.55 115.31 119.45 1fhb h LEU 94 Ca 0.04 0.12 0.13 0.00 0.84 0.00 0.00 57.88 59.00 1fhb h LEU 94 Cb -0.00 0.44 -0.07 0.00 0.37 0.00 0.00 40.66 41.40 1fhb h LEU 94 CO -0.01 -0.56 0.58 0.40 -0.34 0.00 0.00 178.44 178.51 1fhb h ILE 95 N -0.81 0.88 0.49 4.05 2.04 -0.37 0.11 117.51 123.90 1fhb h ILE 95 Ca -0.02 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 1fhb h ILE 95 Cb 0.76 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 1fhb h ILE 95 CO -0.14 0.14 -0.49 0.74 0.00 0.00 0.00 178.15 178.40 1fhb h THR 96 N 0.78 0.05 -0.42 -0.27 2.02 -0.07 0.19 112.91 115.19 1fhb h THR 96 Ca 0.44 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.70 1fhb h THR 96 Cb 0.60 0.05 -0.07 0.00 -1.74 0.00 0.00 68.15 66.99 1fhb h THR 96 CO -0.20 0.00 -0.00 0.22 0.37 0.00 0.00 175.52 175.90 1fhb h TYR 97 N -0.98 -0.03 -0.06 3.16 3.20 0.23 -0.88 116.97 121.61 1fhb h TYR 97 Ca -0.06 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.84 1fhb h TYR 97 Cb 0.85 0.08 -0.00 0.00 1.54 0.00 0.00 36.73 39.20 1fhb h TYR 97 CO -0.25 -0.09 0.04 1.25 -1.64 0.00 0.00 178.16 177.47 1fhb h LEU 98 N 0.10 0.07 -0.73 2.82 6.46 -0.73 0.19 115.31 123.49 1fhb h LEU 98 Ca 0.21 -0.05 0.13 0.00 -0.12 0.00 0.00 57.88 58.05 1fhb h LEU 98 Cb 0.30 -0.02 -0.09 0.00 -0.73 0.00 0.00 40.66 40.12 1fhb h LEU 98 CO -0.35 0.10 0.29 0.50 -0.62 0.00 0.00 178.44 178.36 1fhb h LYS 99 N 0.04 0.42 0.42 1.25 3.64 -0.07 0.46 116.57 122.73 1fhb h LYS 99 Ca 0.02 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1fhb h LYS 99 Cb 0.04 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1fhb h LYS 99 CO -0.00 0.28 -0.20 -0.22 -2.27 0.00 0.00 179.45 177.03 1fhb h LYS 100 N 0.44 -0.55 0.00 1.90 3.11 -0.77 -3.25 116.57 117.46 1fhb h LYS 100 Ca 0.40 0.04 0.00 0.00 -2.81 0.00 0.00 60.65 58.28 1fhb h LYS 100 Cb 0.59 0.12 0.00 0.00 -1.00 0.00 0.00 32.23 31.94 1fhb h LYS 100 CO -0.39 -0.25 0.00 0.00 -2.81 0.00 0.00 179.45 176.00 1fhb n ALA 101 N -2.61 1.58 -0.29 5.00 0.00 0.62 -0.80 120.51 124.01 1fhb n ALA 101 Ca -0.09 -0.04 0.10 0.00 0.00 0.00 0.00 53.44 53.40 1fhb n ALA 101 Cb 0.28 -1.17 0.25 0.00 0.00 0.00 0.00 19.45 18.82 1fhb n ALA 101 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1fhb h SER 102 N 0.00 0.29 -0.00 0.00 0.87 -0.12 -3.41 113.55 111.17 1fhb h SER 102 Ca 0.00 0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 1fhb h SER 102 Cb 0.12 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.21 1fhb h SER 102 CO 0.00 0.04 0.00 1.21 -0.53 0.00 0.00 176.83 177.55