#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 0.00 -6.61 -0.78 4.81 -2.05 -3.46 114.58 106.49 1fhb h GLU -4 Ca 0.00 0.00 -0.56 0.00 -0.13 0.00 0.00 59.36 58.67 1fhb h GLU -4 Cb 0.00 0.00 0.07 0.00 0.63 0.00 0.00 28.75 29.45 1fhb h GLU -4 CO 0.00 0.29 0.80 0.34 -0.73 0.00 0.00 179.01 179.71 1fhb n PHE -3 N -4.70 2.44 -5.15 0.92 7.35 -1.26 -5.01 117.46 112.05 1fhb n PHE -3 Ca -0.05 0.27 -0.31 0.00 -0.76 0.00 0.00 57.45 56.60 1fhb n PHE -3 Cb 0.18 -2.56 -0.15 0.00 0.35 0.00 0.00 39.48 37.30 1fhb n PHE -3 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 1fhb s LYS -2 N 0.32 2.17 0.52 -4.13 1.02 -1.26 -5.10 119.74 113.28 1fhb s LYS -2 Ca 0.72 -0.89 -0.11 0.00 0.02 0.00 0.00 55.97 55.71 1fhb s LYS -2 Cb -0.60 -2.12 -0.05 0.00 -0.52 0.00 0.00 37.83 34.54 1fhb s LYS -2 CO 0.42 0.57 0.91 0.00 -0.92 0.00 0.00 175.35 176.33 1fhb s ALA -1 N -0.67 3.22 -0.01 5.17 0.00 -1.26 -5.05 121.76 123.17 1fhb s ALA -1 Ca 0.11 -0.15 -0.00 0.00 0.00 0.00 0.00 51.96 51.91 1fhb s ALA -1 Cb -0.10 -2.89 -0.00 0.00 0.00 0.00 0.00 23.12 20.12 1fhb s ALA -1 CO -0.00 -0.36 -0.01 0.41 0.00 0.00 0.00 175.76 175.80 1fhb n GLY 1 N -2.06 -0.54 3.52 0.00 0.00 -1.26 -5.05 105.19 99.80 1fhb n GLY 1 Ca 0.04 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 1fhb n GLY 1 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1fhb s SER 2 N -3.65 -0.77 -0.02 1.61 0.01 -1.26 -5.06 113.70 104.56 1fhb s SER 2 Ca -0.01 1.30 -0.25 0.00 1.31 0.00 0.00 55.95 58.30 1fhb s SER 2 Cb 0.00 1.21 -0.20 0.00 0.21 0.00 0.00 66.02 67.25 1fhb s SER 2 CO 0.01 -0.22 1.25 0.00 0.41 0.00 0.00 173.24 174.68 1fhb h ALA 3 N 6.53 -0.05 -2.37 1.44 0.00 -1.88 -3.35 119.26 119.57 1fhb h ALA 3 Ca -0.31 -0.23 -0.45 0.00 0.00 0.00 0.00 54.91 53.91 1fhb h ALA 3 Cb 1.20 0.02 0.16 0.00 0.00 0.00 0.00 17.79 19.17 1fhb h ALA 3 CO 0.18 -0.29 0.20 0.15 0.00 0.00 0.00 179.25 179.49 1fhb s LYS 4 N -4.27 0.46 0.00 0.00 1.02 -1.26 -3.54 119.74 112.14 1fhb s LYS 4 Ca -0.15 0.49 0.00 0.00 0.02 0.00 0.00 55.97 56.33 1fhb s LYS 4 Cb 0.02 -1.74 0.00 0.00 -0.52 0.00 0.00 37.83 35.58 1fhb s LYS 4 CO 0.65 -2.71 0.00 1.17 -0.92 0.00 0.00 175.35 173.54 1fhb n LYS 5 N -4.15 0.00 -0.31 1.68 4.81 -1.26 -4.44 118.16 114.49 1fhb n LYS 5 Ca 0.05 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 57.62 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 1.41 0.38 3.14 0.00 -1.73 0.96 103.07 107.23 1fhb h GLY 6 Ca 0.00 -0.32 0.07 0.00 0.00 0.00 0.00 47.33 47.07 1fhb h GLY 6 CO 0.00 0.04 -0.05 0.00 0.00 0.00 0.00 176.54 176.53 1fhb h ALA 7 N 1.60 0.26 -0.78 3.60 0.00 -1.77 0.63 119.26 122.80 1fhb h ALA 7 Ca 0.50 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.49 1fhb h ALA 7 Cb 0.81 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1fhb h ALA 7 CO -0.26 -0.44 0.33 1.15 0.00 0.00 0.00 179.25 180.03 1fhb h THR 8 N 0.04 1.26 0.65 0.00 2.02 -1.22 0.10 112.91 115.76 1fhb h THR 8 Ca 0.16 -0.79 -0.03 0.00 0.77 0.00 0.00 66.41 66.53 1fhb h THR 8 Cb 0.24 0.31 0.01 0.00 -1.74 0.00 0.00 68.15 66.97 1fhb h THR 8 CO -0.32 0.32 -0.31 -0.07 0.37 0.00 0.00 175.52 175.51 1fhb h LEU 9 N 1.13 -0.74 -0.65 2.58 -0.00 -0.87 -1.51 115.31 115.25 1fhb h LEU 9 Ca 0.26 -0.01 0.12 0.00 -0.00 0.00 0.00 57.88 58.26 1fhb h LEU 9 Cb 0.19 0.19 -0.12 0.00 -0.00 0.00 0.00 40.66 40.92 1fhb h LEU 9 CO -0.02 -0.45 -0.25 0.15 -0.00 0.00 0.00 178.44 177.87 1fhb h PHE 10 N -1.00 -0.62 -0.40 1.13 3.57 -0.66 0.14 116.94 119.10 1fhb h PHE 10 Ca -0.09 0.07 0.06 0.00 3.53 0.00 0.00 57.97 61.54 1fhb h PHE 10 Cb 0.70 0.37 -0.02 0.00 2.79 0.00 0.00 35.95 39.79 1fhb h PHE 10 CO -0.01 -0.34 0.27 0.87 -2.23 0.00 0.00 178.31 176.87 1fhb h LYS 11 N -0.08 0.26 -0.00 1.11 1.57 -0.64 0.26 116.57 119.05 1fhb h LYS 11 Ca 0.29 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1fhb h LYS 11 Cb 0.53 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1fhb h LYS 11 CO -0.70 0.17 -0.86 0.25 -0.57 0.00 0.00 179.45 177.74 1fhb n THR 12 N -4.47 0.00 0.02 -0.16 -2.24 0.02 -4.48 114.28 102.96 1fhb n THR 12 Ca 0.05 -0.05 -0.02 0.00 -2.27 0.00 0.00 64.05 61.76 1fhb n THR 12 Cb 0.28 1.01 -0.01 0.00 -2.10 0.00 0.00 70.33 69.51 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 -1.19 0.08 -0.11 -0.78 3.00 0.26 -4.91 116.66 113.01 1fhb n ARG 13 Ca 0.05 0.03 -0.21 0.00 -0.01 0.00 0.00 57.85 57.71 1fhb n ARG 13 Cb 0.36 -0.64 -0.12 0.00 0.00 0.00 0.00 32.46 32.06 1fhb n ARG 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1fhb h LEU 15 N -0.28 0.23 -0.87 0.00 5.85 -1.23 0.14 115.31 119.14 1fhb h LEU 15 Ca -0.58 0.04 0.10 0.00 0.84 0.00 0.00 57.88 58.28 1fhb h LEU 15 Cb 1.82 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 42.74 1fhb h LEU 15 CO -0.15 0.05 -0.45 1.67 -0.34 0.00 0.00 178.44 179.22 1fhb n GLN 16 N -4.42 -0.31 -0.07 1.25 7.27 -1.26 -3.62 117.38 116.22 1fhb n GLN 16 Ca 0.24 1.33 -0.07 0.00 0.07 0.00 0.00 57.00 58.57 1fhb n GLN 16 Cb 0.99 -1.96 -0.11 0.00 2.41 0.00 0.00 30.24 31.57 1fhb n GLN 16 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1fhb s HIS 18 N -2.34 1.52 0.07 0.00 3.76 -0.09 -1.05 115.29 117.17 1fhb s HIS 18 Ca -0.07 -0.84 -0.00 0.00 -0.15 0.00 0.00 55.06 54.00 1fhb s HIS 18 Cb 0.04 -1.96 -0.04 0.00 1.11 0.00 0.00 32.58 31.73 1fhb s HIS 18 CO 0.57 -0.64 -0.04 0.95 -0.85 0.00 0.00 174.74 174.74 1fhb s THR 19 N -2.77 0.37 -0.05 1.30 -4.23 -1.26 -4.45 115.64 104.55 1fhb s THR 19 Ca 0.39 -1.86 0.11 0.00 -1.18 0.00 0.00 61.69 59.16 1fhb s THR 19 Cb -0.03 -1.60 -0.17 0.00 1.34 0.00 0.00 72.50 72.04 1fhb s THR 19 CO 0.24 -0.93 0.17 0.55 -0.54 0.00 0.00 174.62 174.12 1fhb n VAL 20 N 0.05 0.30 -0.81 2.29 3.14 -1.26 -0.80 118.33 121.23 1fhb n VAL 20 Ca -0.13 -0.35 -0.31 0.00 -2.96 0.00 0.00 64.34 60.59 1fhb n VAL 20 Cb 0.61 -0.14 0.15 0.00 -1.06 0.00 0.00 33.84 33.40 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 -2.61 1.24 0.05 1.45 2.02 -1.26 -3.96 118.70 115.63 1fhb s GLU 21 Ca -0.05 1.46 -0.33 0.00 0.02 0.00 0.00 54.97 56.07 1fhb s GLU 21 Cb 0.06 -1.76 -0.12 0.00 0.10 0.00 0.00 34.13 32.41 1fhb s GLU 21 CO 0.48 -2.45 1.77 1.63 0.02 0.00 0.00 175.26 176.71 1fhb n LYS 22 N -4.10 2.34 0.00 1.61 5.02 -1.26 -3.52 118.16 118.24 1fhb n LYS 22 Ca 0.11 0.85 0.00 0.00 -2.02 0.00 0.00 58.31 57.25 1fhb n LYS 22 Cb 0.52 -2.69 0.00 0.00 -0.02 0.00 0.00 35.03 32.85 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 4.02 1.56 1.29 0.72 0.00 -1.26 -4.93 105.19 106.59 1fhb n GLY 23 Ca 0.19 0.11 0.11 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 -3.47 3.69 -0.02 0.00 -1.23 -4.61 105.19 99.56 1fhb n GLY 24 Ca 0.00 -1.05 -0.42 0.00 0.00 0.00 0.00 46.02 44.55 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 -4.44 4.31 -1.50 1.61 0.04 -1.26 -4.81 135.00 128.96 1fhb s PRO 25 Ca 0.00 1.92 -0.13 0.00 0.04 0.00 0.00 61.00 62.83 1fhb s PRO 25 Cb 0.00 -3.51 0.01 0.00 0.04 0.00 0.00 34.50 31.04 1fhb s PRO 25 CO 0.00 -0.51 2.42 0.72 0.04 0.00 0.00 177.00 179.67 1fhb n HIS 26 N 5.02 3.20 0.00 0.56 8.25 -1.26 -4.41 115.22 126.58 1fhb n HIS 26 Ca 0.12 -3.00 0.00 0.00 -0.26 0.00 0.00 57.72 54.58 1fhb n HIS 26 Cb 0.44 -2.51 0.00 0.00 1.12 0.00 0.00 29.99 29.04 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 5.28 0.00 -0.13 -0.41 5.02 -1.26 -4.63 118.16 122.03 1fhb n LYS 27 Ca 0.59 0.02 -0.29 0.00 -2.02 0.00 0.00 58.31 56.61 1fhb n LYS 27 Cb 0.34 -0.79 -0.10 0.00 -0.02 0.00 0.00 35.03 34.46 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 -0.31 1.53 -2.83 -0.18 0.31 -0.59 -4.99 118.33 111.26 1fhb n VAL 28 Ca 0.00 -0.35 -0.19 0.00 -0.01 0.00 0.00 64.34 63.78 1fhb n VAL 28 Cb 0.00 -1.88 0.02 0.00 -0.91 0.00 0.00 33.84 31.07 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 -5.46 1.86 0.97 2.92 0.00 -0.21 -5.00 107.32 102.40 1fhb s GLY 29 Ca -0.38 -1.46 -0.16 0.00 0.00 0.00 0.00 44.72 42.72 1fhb s GLY 29 CO 0.51 -1.23 0.76 -1.55 0.00 0.00 0.00 173.10 171.59 1fhb n PRO 30 N -2.11 -3.07 -3.49 2.90 -0.04 -1.26 -4.41 135.00 123.52 1fhb n PRO 30 Ca 0.07 -1.24 -0.34 0.00 -0.04 0.00 0.00 63.50 61.96 1fhb n PRO 30 Cb 0.59 -1.28 -0.05 0.00 -0.04 0.00 0.00 33.50 32.72 1fhb n PRO 30 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1fhb s ASN 31 N -3.44 6.67 -0.42 3.54 3.84 -1.26 -4.07 114.94 119.79 1fhb s ASN 31 Ca 0.52 0.87 0.04 0.00 0.21 0.00 0.00 52.86 54.50 1fhb s ASN 31 Cb -0.06 -2.21 0.46 0.00 -0.55 0.00 0.00 41.25 38.89 1fhb s ASN 31 CO 0.41 0.09 1.50 0.18 -2.79 0.00 0.00 177.10 176.49 1fhb n LEU 32 N 0.56 5.84 -4.73 3.21 4.77 0.02 -4.94 117.00 121.73 1fhb n LEU 32 Ca -0.05 -4.53 -0.39 0.00 -0.03 0.00 0.00 56.01 51.01 1fhb n LEU 32 Cb 0.52 -0.58 -0.06 0.00 -2.33 0.00 0.00 43.42 40.98 1fhb n LEU 32 CO 0.44 1.84 0.26 -2.28 -1.33 0.00 0.00 177.39 176.32 1fhb s HIS 33 N -3.66 3.58 0.00 -1.77 2.46 -1.25 -4.33 115.29 110.32 1fhb s HIS 33 Ca 0.55 1.07 0.00 0.00 0.47 0.00 0.00 55.06 57.15 1fhb s HIS 33 Cb 0.44 -2.63 0.00 0.00 -0.13 0.00 0.00 32.58 30.27 1fhb s HIS 33 CO 0.02 0.21 0.00 0.41 -2.47 0.00 0.00 174.74 172.91 1fhb n GLY 34 N 2.97 0.40 0.36 1.59 0.00 -1.26 -4.85 105.19 104.40 1fhb n GLY 34 Ca -0.06 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.06 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 0.85 -2.02 -0.61 6.09 -1.83 -3.33 117.51 116.67 1fhb h ILE 35 Ca 0.00 -0.30 -0.53 0.00 -1.37 0.00 0.00 64.86 62.66 1fhb h ILE 35 Cb 0.14 -0.11 -0.01 0.00 0.47 0.00 0.00 36.82 37.31 1fhb h ILE 35 CO 0.00 0.16 1.47 -0.36 -3.07 0.00 0.00 178.15 176.35 1fhb s PHE 36 N -5.88 1.37 0.00 2.19 0.08 -1.26 -0.70 117.98 113.79 1fhb s PHE 36 Ca -0.11 0.95 0.00 0.00 0.12 0.00 0.00 56.93 57.88 1fhb s PHE 36 Cb 0.23 -3.89 0.00 0.00 -0.57 0.00 0.00 43.02 38.79 1fhb s PHE 36 CO 0.80 -2.98 0.00 0.41 -0.10 0.00 0.00 175.22 173.35 1fhb n GLY 37 N 5.76 0.67 3.32 4.36 0.00 -1.14 -4.97 105.19 113.19 1fhb n GLY 37 Ca 0.29 -0.44 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.92 3.05 1.07 1.61 3.00 0.13 -5.05 118.95 121.84 1fhb s ARG 38 Ca 0.00 -0.78 -0.12 0.00 0.00 0.00 0.00 55.73 54.83 1fhb s ARG 38 Cb 0.00 -2.43 0.23 0.00 0.00 0.00 0.00 34.95 32.75 1fhb s ARG 38 CO 0.00 0.28 1.06 -1.14 0.00 0.00 0.00 175.30 175.50 1fhb s GLN 39 N 0.13 -0.20 0.49 3.54 0.74 -1.26 -4.25 119.66 118.86 1fhb s GLN 39 Ca -0.09 0.81 -0.21 0.00 0.05 0.00 0.00 55.36 55.92 1fhb s GLN 39 Cb -0.15 -1.64 -0.08 0.00 1.10 0.00 0.00 33.01 32.24 1fhb s GLN 39 CO 0.06 -3.23 1.08 -1.54 -0.55 0.00 0.00 175.29 171.11 1fhb s SER 40 N -2.87 6.19 -0.53 6.67 1.04 0.22 -3.96 113.70 120.46 1fhb s SER 40 Ca 0.67 2.07 -0.02 0.00 0.48 0.00 0.00 55.95 59.14 1fhb s SER 40 Cb -0.22 -2.58 -0.03 0.00 0.10 0.00 0.00 66.02 63.29 1fhb s SER 40 CO 0.61 -0.89 0.46 0.61 0.98 0.00 0.00 173.24 175.01 1fhb n GLY 41 N 0.05 -0.08 0.70 7.32 0.00 -1.26 -4.74 105.19 107.17 1fhb n GLY 41 Ca 0.09 0.09 0.06 0.00 0.00 0.00 0.00 46.02 46.26 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 -2.38 2.19 -3.53 1.61 10.64 -1.25 -4.91 117.38 119.74 1fhb n GLN 42 Ca -0.05 -2.86 -0.29 0.00 -1.83 0.00 0.00 57.00 51.97 1fhb n GLN 42 Cb 0.56 -1.73 -0.14 0.00 -0.86 0.00 0.00 30.24 28.07 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 -2.95 0.85 1.20 2.61 0.00 -1.26 -5.14 121.76 117.07 1fhb s ALA 43 Ca 0.40 -1.48 -0.15 0.00 0.00 0.00 0.00 51.96 50.73 1fhb s ALA 43 Cb 0.34 -1.50 0.29 0.00 0.00 0.00 0.00 23.12 22.24 1fhb s ALA 43 CO 0.05 -1.84 1.02 -2.00 0.00 0.00 0.00 175.76 172.99 1fhb s GLU 44 N 1.61 -1.16 0.00 0.00 2.12 -1.26 -4.17 118.70 115.84 1fhb s GLU 44 Ca 0.13 0.58 0.00 0.00 0.36 0.00 0.00 54.97 56.04 1fhb s GLU 44 Cb -0.19 -1.55 0.00 0.00 0.26 0.00 0.00 34.13 32.65 1fhb s GLU 44 CO -0.20 -3.82 0.00 0.41 -0.54 0.00 0.00 175.26 171.11 1fhb n GLY 45 N 0.49 1.63 3.72 -1.50 0.00 -1.26 -4.94 105.19 103.33 1fhb n GLY 45 Ca 0.05 -0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 2.07 -1.12 1.61 5.04 -1.26 -4.84 117.35 118.85 1fhb s TYR 46 Ca 0.00 1.62 -0.23 0.00 -2.44 0.00 0.00 57.07 56.01 1fhb s TYR 46 Cb 0.00 -3.42 -0.08 0.00 0.35 0.00 0.00 41.96 38.81 1fhb s TYR 46 CO 0.00 -2.53 1.94 -1.54 -1.34 0.00 0.00 175.55 172.09 1fhb s SER 47 N -2.19 5.01 1.09 4.32 1.04 -1.26 -4.95 113.70 116.76 1fhb s SER 47 Ca 0.72 -1.44 -0.18 0.00 0.48 0.00 0.00 55.95 55.53 1fhb s SER 47 Cb -0.27 -2.58 0.25 0.00 0.10 0.00 0.00 66.02 63.52 1fhb s SER 47 CO 0.47 -3.06 1.24 -0.31 0.98 0.00 0.00 173.24 172.55 1fhb s TYR 48 N 11.00 0.91 0.03 5.02 1.51 -1.26 -5.03 117.35 129.55 1fhb s TYR 48 Ca 0.69 0.34 0.04 0.00 -1.01 0.00 0.00 57.07 57.13 1fhb s TYR 48 Cb -0.02 -3.87 -0.02 0.00 -0.11 0.00 0.00 41.96 37.94 1fhb s TYR 48 CO 0.10 -3.32 -0.11 0.95 -1.11 0.00 0.00 175.55 172.07 1fhb s THR 49 N -3.51 0.85 0.17 -0.71 -4.23 -1.26 -5.04 115.64 101.91 1fhb s THR 49 Ca 0.74 -0.91 -0.17 0.00 -1.18 0.00 0.00 61.69 60.16 1fhb s THR 49 Cb -0.05 -0.80 0.11 0.00 1.34 0.00 0.00 72.50 73.10 1fhb s THR 49 CO 0.54 -0.09 1.65 -0.78 -0.54 0.00 0.00 174.62 175.40 1fhb h ASP 50 N 4.95 -0.47 -0.41 3.99 3.58 -2.00 -2.88 116.42 123.17 1fhb h ASP 50 Ca -0.36 0.14 0.09 0.00 0.42 0.00 0.00 57.03 57.31 1fhb h ASP 50 Cb 1.19 0.29 -0.09 0.00 1.72 0.00 0.00 39.33 42.44 1fhb h ASP 50 CO 0.44 -0.17 -0.19 0.00 -2.88 0.00 0.00 179.24 176.44 1fhb h ALA 51 N 1.35 0.12 -0.32 -0.78 0.00 -1.88 0.20 119.26 117.95 1fhb h ALA 51 Ca 0.20 0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.31 1fhb h ALA 51 Cb 0.35 0.47 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 1fhb h ALA 51 CO -0.45 -0.55 0.04 -0.97 0.00 0.00 0.00 179.25 177.31 1fhb h ASN 52 N -0.11 -0.05 0.44 0.00 -0.73 -1.70 0.21 115.58 113.65 1fhb h ASN 52 Ca 0.20 0.06 -0.01 0.00 1.87 0.00 0.00 56.30 58.42 1fhb h ASN 52 Cb 0.42 0.09 -0.02 0.00 0.27 0.00 0.00 38.32 39.08 1fhb h ASN 52 CO -0.48 0.01 -0.46 0.40 -0.37 0.00 0.00 177.43 176.52 1fhb h ILE 53 N 0.14 0.08 -0.10 2.57 2.04 -1.02 -2.14 117.51 119.08 1fhb h ILE 53 Ca 0.15 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.04 1fhb h ILE 53 Cb 0.18 0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 36.34 1fhb h ILE 53 CO -0.22 0.00 0.08 0.11 0.00 0.00 0.00 178.15 178.12 1fhb h LYS 54 N -0.92 0.00 -0.92 2.37 1.57 -0.42 -0.13 116.57 118.12 1fhb h LYS 54 Ca -0.05 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.46 1fhb h LYS 54 Cb 0.82 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 32.97 1fhb h LYS 54 CO -0.08 0.00 0.34 1.17 -0.57 0.00 0.00 179.45 180.32 1fhb n LYS 55 N -4.32 2.44 -0.57 3.15 3.00 0.71 -5.00 118.16 117.57 1fhb n LYS 55 Ca -0.00 -2.20 -0.22 0.00 -0.00 0.00 0.00 58.31 55.88 1fhb n LYS 55 Cb 0.20 -1.91 -0.06 0.00 0.00 0.00 0.00 35.03 33.26 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 -0.37 0.24 -4.25 3.14 6.94 -0.06 -4.93 115.26 115.97 1fhb n ASN 56 Ca 0.37 0.21 -0.30 0.00 -0.02 0.00 0.00 54.58 54.84 1fhb n ASN 56 Cb 1.23 -0.38 -0.16 0.00 -2.36 0.00 0.00 39.78 38.11 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 3.03 1.88 0.01 3.53 1.01 -1.26 -4.91 120.40 123.69 1fhb s VAL 57 Ca 0.53 -0.99 0.32 0.00 0.00 0.00 0.00 61.98 61.84 1fhb s VAL 57 Cb -0.60 -1.58 0.38 0.00 0.00 0.00 0.00 36.38 34.59 1fhb s VAL 57 CO 0.25 0.53 1.92 0.25 0.00 0.00 0.00 175.10 178.05 1fhb h LEU 58 N 5.84 0.00 -2.08 3.92 6.46 -1.92 0.62 115.31 128.16 1fhb h LEU 58 Ca -0.37 0.00 -0.34 0.00 -0.12 0.00 0.00 57.88 57.05 1fhb h LEU 58 Cb 1.15 0.00 0.14 0.00 -0.73 0.00 0.00 40.66 41.22 1fhb h LEU 58 CO 0.47 0.00 -0.83 0.79 -0.62 0.00 0.00 178.44 178.25 1fhb n TRP 59 N -3.07 -2.16 -1.85 1.25 5.03 -1.26 -3.50 117.44 111.88 1fhb n TRP 59 Ca 0.01 0.84 -0.29 0.00 3.03 0.00 0.00 57.50 61.09 1fhb n TRP 59 Cb 0.34 -4.45 0.12 0.00 -1.03 0.00 0.00 31.31 26.29 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 -3.99 3.94 0.24 -0.99 -4.77 -1.26 -2.89 116.67 106.94 1fhb s ASP 60 Ca 0.18 0.66 -0.07 0.00 -3.30 0.00 0.00 52.55 50.02 1fhb s ASP 60 Cb -0.04 -1.03 0.23 0.00 -1.09 0.00 0.00 42.92 41.00 1fhb s ASP 60 CO 0.77 -2.25 1.91 -0.33 0.70 0.00 0.00 175.17 175.97 1fhb h GLU 61 N -1.30 1.24 0.24 2.11 3.07 -1.98 -1.07 114.58 116.88 1fhb h GLU 61 Ca -0.46 -0.08 -0.01 0.00 -0.50 0.00 0.00 59.36 58.31 1fhb h GLU 61 Cb 1.30 -0.28 0.00 0.00 -0.84 0.00 0.00 28.75 28.94 1fhb h GLU 61 CO 0.57 0.82 -0.11 -0.97 -1.40 0.00 0.00 179.01 177.92 1fhb h ASN 62 N 1.27 -0.27 -0.57 1.42 -1.24 -1.98 0.99 115.58 115.21 1fhb h ASN 62 Ca 0.34 -0.19 -0.02 0.00 0.71 0.00 0.00 56.30 57.14 1fhb h ASN 62 Cb -0.14 0.07 -0.03 0.00 0.73 0.00 0.00 38.32 38.95 1fhb h ASN 62 CO -0.07 0.06 0.28 0.78 -1.29 0.00 0.00 177.43 177.18 1fhb h ASN 63 N -0.62 0.74 -0.22 1.15 4.21 -1.94 0.16 115.58 119.06 1fhb h ASN 63 Ca -0.03 -0.13 -0.02 0.00 1.21 0.00 0.00 56.30 57.34 1fhb h ASN 63 Cb 0.45 -0.19 -0.01 0.00 -1.12 0.00 0.00 38.32 37.45 1fhb h ASN 63 CO 0.05 0.66 0.08 -0.03 -1.29 0.00 0.00 177.43 176.89 1fhb h MET 64 N 0.76 0.33 -0.57 0.81 4.05 -1.20 0.43 114.93 119.54 1fhb h MET 64 Ca 0.19 -0.07 0.12 0.00 -0.28 0.00 0.00 59.70 59.66 1fhb h MET 64 Cb 0.11 -0.05 -0.10 0.00 -0.80 0.00 0.00 31.60 30.76 1fhb h MET 64 CO -0.03 0.41 -0.04 1.03 0.23 0.00 0.00 176.91 178.51 1fhb h SER 65 N 0.18 -0.34 0.68 1.39 0.87 -0.23 0.05 113.55 116.16 1fhb h SER 65 Ca 0.07 0.15 -0.03 0.00 -1.23 0.00 0.00 61.79 60.75 1fhb h SER 65 Cb 0.21 0.28 0.01 0.00 -0.44 0.00 0.00 62.40 62.46 1fhb h SER 65 CO -0.00 -0.13 -0.33 -0.08 -0.53 0.00 0.00 176.83 175.76 1fhb h GLU 66 N 0.08 -0.89 -1.00 2.24 4.57 -0.84 -3.17 114.58 115.58 1fhb h GLU 66 Ca 0.29 0.06 0.16 0.00 -1.18 0.00 0.00 59.36 58.69 1fhb h GLU 66 Cb 0.46 0.20 -0.16 0.00 -0.16 0.00 0.00 28.75 29.09 1fhb h GLU 66 CO -0.52 -0.59 -0.39 -0.92 -1.18 0.00 0.00 179.01 175.41 1fhb h TYR 67 N -1.07 -1.08 -0.87 0.92 3.20 -0.58 0.25 116.97 117.75 1fhb h TYR 67 Ca -0.09 0.11 0.18 0.00 3.14 0.00 0.00 58.73 62.06 1fhb h TYR 67 Cb 0.70 0.62 -0.07 0.00 1.54 0.00 0.00 36.73 39.53 1fhb h TYR 67 CO 0.03 -0.41 0.57 -0.07 -1.64 0.00 0.00 178.16 176.65 1fhb h LEU 68 N -0.00 0.47 -1.25 2.82 3.38 -1.04 0.24 115.31 119.93 1fhb h LEU 68 Ca 0.35 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.40 1fhb h LEU 68 Cb 0.60 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.26 1fhb h LEU 68 CO -0.99 0.21 0.53 0.74 0.09 0.00 0.00 178.44 179.01 1fhb h THR 69 N 0.48 1.11 -0.06 0.22 2.02 -0.46 0.15 112.91 116.38 1fhb h THR 69 Ca 0.45 -0.33 -0.24 0.00 0.77 0.00 0.00 66.41 67.06 1fhb h THR 69 Cb 1.00 0.06 -0.15 0.00 -1.74 0.00 0.00 68.15 67.32 1fhb h THR 69 CO -0.18 0.18 -0.48 -0.46 0.37 0.00 0.00 175.52 174.95 1fhb n ASN 70 N -4.46 -2.48 -0.84 4.18 0.23 0.65 -4.05 115.26 108.49 1fhb n ASN 70 Ca 0.11 -3.53 0.00 0.00 -0.53 0.00 0.00 54.58 50.62 1fhb n ASN 70 Cb 0.13 1.83 0.00 0.00 -2.08 0.00 0.00 39.78 39.66 1fhb n ASN 70 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 1fhb n PRO 71 N 0.87 0.06 0.00 -0.53 -0.04 -0.10 -0.93 135.00 134.33 1fhb n PRO 71 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1fhb n PRO 71 Cb 0.67 -1.33 0.00 0.00 -0.04 0.00 0.00 33.50 32.80 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 0.81 0.00 -0.05 0.54 4.81 -1.26 -0.50 118.16 122.50 1fhb n LYS 73 Ca 0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1fhb n LYS 73 Cb 0.03 0.00 0.28 0.00 0.02 0.00 0.00 35.03 35.35 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 0.66 -3.73 5.64 3.20 -1.37 -3.31 116.97 118.06 1fhb h TYR 74 Ca 0.00 -0.05 -0.67 0.00 3.14 0.00 0.00 58.73 61.15 1fhb h TYR 74 Cb 0.00 -0.20 -0.37 0.00 1.54 0.00 0.00 36.73 37.70 1fhb h TYR 74 CO 0.00 0.57 -0.72 0.42 -1.64 0.00 0.00 178.16 176.79 1fhb s ILE 75 N -5.16 2.48 -1.39 1.81 1.01 0.34 -5.03 121.20 115.25 1fhb s ILE 75 Ca -0.09 -1.96 -0.13 0.00 0.00 0.00 0.00 60.65 58.47 1fhb s ILE 75 Cb 0.16 -2.64 -0.03 0.00 0.01 0.00 0.00 42.46 39.96 1fhb s ILE 75 CO 0.77 -0.37 2.41 -0.81 0.00 0.00 0.00 174.94 176.94 1fhb n PRO 76 N 4.40 2.90 0.00 2.79 -0.04 -1.25 -3.96 135.00 139.84 1fhb n PRO 76 Ca -0.05 -2.31 0.00 0.00 -0.04 0.00 0.00 63.50 61.10 1fhb n PRO 76 Cb 0.42 -3.04 0.00 0.00 -0.04 0.00 0.00 33.50 30.84 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 3.97 -1.12 2.95 0.55 0.00 -1.26 -4.84 105.19 105.43 1fhb n GLY 77 Ca 0.59 0.47 -0.11 0.00 0.00 0.00 0.00 46.02 46.97 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 0.04 -1.53 2.61 -1.32 -1.25 -4.29 115.64 109.89 1fhb s THR 78 Ca 0.00 -0.30 0.27 0.00 -1.21 0.00 0.00 61.69 60.46 1fhb s THR 78 Cb 0.00 -0.15 0.53 0.00 -1.51 0.00 0.00 72.50 71.37 1fhb s THR 78 CO 0.00 -0.16 1.94 1.17 -2.21 0.00 0.00 174.62 175.36 1fhb n LYS 79 N 2.54 0.47 -1.65 7.08 4.81 -1.26 -4.73 118.16 125.42 1fhb n LYS 79 Ca -0.16 0.03 -0.29 0.00 -0.87 0.00 0.00 58.31 57.02 1fhb n LYS 79 Cb 0.58 -1.50 -0.08 0.00 0.02 0.00 0.00 35.03 34.05 1fhb n LYS 79 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1fhb n ALA 80 N -1.23 1.57 -0.82 3.14 0.00 -1.26 -4.79 120.51 117.11 1fhb n ALA 80 Ca 0.14 -2.84 -0.20 0.00 0.00 0.00 0.00 53.44 50.54 1fhb n ALA 80 Cb 0.19 -3.50 -0.06 0.00 0.00 0.00 0.00 19.45 16.09 1fhb n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fhb n ALA 81 N 14.18 5.22 -2.82 0.00 0.00 -1.26 -4.89 120.51 130.94 1fhb n ALA 81 Ca 0.45 -1.97 -0.37 0.00 0.00 0.00 0.00 53.44 51.55 1fhb n ALA 81 Cb 0.45 -2.79 -0.06 0.00 0.00 0.00 0.00 19.45 17.06 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 2.48 3.61 -1.20 0.00 5.36 -1.26 -5.01 117.98 121.96 1fhb s PHE 82 Ca 0.48 0.58 -0.21 0.00 -0.96 0.00 0.00 56.93 56.82 1fhb s PHE 82 Cb 0.16 -1.98 -0.05 0.00 -0.34 0.00 0.00 43.02 40.81 1fhb s PHE 82 CO -0.02 0.71 1.89 0.41 -1.46 0.00 0.00 175.22 176.74 1fhb n GLY 83 N 1.78 1.63 0.00 13.12 0.00 -1.26 -4.90 105.19 115.56 1fhb n GLY 83 Ca -0.17 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 44.89 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 5.55 0.00 3.56 -0.02 0.00 -1.26 -4.60 105.19 108.42 1fhb n GLY 84 Ca 0.47 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.26 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 0.00 3.06 0.15 0.99 1.43 0.52 -4.79 118.68 120.04 1fhb s LEU 85 Ca 0.00 -0.30 0.03 0.00 -1.03 0.00 0.00 54.13 52.83 1fhb s LEU 85 Cb 0.00 -2.55 -0.05 0.00 0.03 0.00 0.00 46.19 43.62 1fhb s LEU 85 CO 0.00 -3.19 1.35 0.11 0.23 0.00 0.00 176.35 174.86 1fhb h LYS 86 N 12.22 0.15 -0.95 1.70 1.57 -1.87 -3.39 116.57 126.00 1fhb h LYS 86 Ca 0.04 -0.19 0.29 0.00 -1.87 0.00 0.00 60.65 58.92 1fhb h LYS 86 Cb 1.02 0.06 -0.16 0.00 0.08 0.00 0.00 32.23 33.22 1fhb h LYS 86 CO 1.13 0.96 0.26 0.87 -0.57 0.00 0.00 179.45 182.11 1fhb h LYS 87 N 0.08 0.11 0.00 3.15 1.57 -1.97 -3.45 116.57 116.05 1fhb h LYS 87 Ca -0.04 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1fhb h LYS 87 Cb 1.57 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.86 1fhb h LYS 87 CO 0.14 0.07 0.00 -1.91 -0.57 0.00 0.00 179.45 177.18 1fhb n GLU 88 N -5.30 0.00 0.04 3.15 2.13 -1.26 -4.55 120.64 114.85 1fhb n GLU 88 Ca 0.26 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 58.06 1fhb n GLU 88 Cb 0.86 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.56 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 -0.16 -0.99 5.31 6.56 -1.97 -3.31 116.57 122.01 1fhb h LYS 89 Ca 0.00 0.01 0.25 0.00 -1.06 0.00 0.00 60.65 59.85 1fhb h LYS 89 Cb 0.00 0.04 -0.13 0.00 -0.57 0.00 0.00 32.23 31.57 1fhb h LYS 89 CO 0.00 -0.11 0.56 -0.44 -2.06 0.00 0.00 179.45 177.40 1fhb h ASP 90 N -0.77 0.61 -0.97 0.86 3.32 -1.99 0.24 116.42 117.72 1fhb h ASP 90 Ca -0.02 0.15 0.28 0.00 0.02 0.00 0.00 57.03 57.46 1fhb h ASP 90 Cb 0.13 0.06 -0.18 0.00 0.22 0.00 0.00 39.33 39.56 1fhb h ASP 90 CO 0.03 0.06 0.11 -0.09 -1.72 0.00 0.00 179.24 177.63 1fhb h ARG 91 N 0.52 0.03 -0.22 3.56 2.43 -1.91 0.70 114.38 119.50 1fhb h ARG 91 Ca 0.64 -0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.85 1fhb h ARG 91 Cb 1.26 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.77 1fhb h ARG 91 CO -0.50 0.02 -0.00 -0.91 -1.51 0.00 0.00 179.97 177.07 1fhb h ASN 92 N 0.03 -0.09 0.23 -3.80 -0.26 -0.61 0.23 115.58 111.32 1fhb h ASN 92 Ca 0.62 0.05 -0.01 0.00 -0.56 0.00 0.00 56.30 56.39 1fhb h ASN 92 Cb 1.32 0.09 0.00 0.00 -1.06 0.00 0.00 38.32 38.67 1fhb h ASN 92 CO -0.86 -0.02 -0.11 0.44 -1.06 0.00 0.00 177.43 175.82 1fhb h ASP 93 N 0.07 -0.27 -0.23 5.81 3.32 -1.27 -0.49 116.42 123.36 1fhb h ASP 93 Ca 0.10 -0.15 0.05 0.00 0.02 0.00 0.00 57.03 57.06 1fhb h ASP 93 Cb 0.13 0.07 -0.07 0.00 0.22 0.00 0.00 39.33 39.68 1fhb h ASP 93 CO -0.18 -0.00 -0.43 0.25 -1.72 0.00 0.00 179.24 177.16 1fhb h LEU 94 N -0.54 -1.39 -0.64 1.55 5.85 -0.73 0.11 115.31 119.52 1fhb h LEU 94 Ca -0.03 0.19 0.08 0.00 0.84 0.00 0.00 57.88 58.96 1fhb h LEU 94 Cb 0.40 0.58 -0.06 0.00 0.37 0.00 0.00 40.66 41.94 1fhb h LEU 94 CO 0.05 -0.41 0.31 0.40 -0.34 0.00 0.00 178.44 178.45 1fhb h ILE 95 N -0.44 0.86 -0.06 4.05 2.04 -0.54 0.64 117.51 124.05 1fhb h ILE 95 Ca 0.09 -0.19 0.04 0.00 1.00 0.00 0.00 64.86 65.81 1fhb h ILE 95 Cb 0.61 0.27 -0.06 0.00 -0.74 0.00 0.00 36.82 36.91 1fhb h ILE 95 CO -0.46 0.10 -0.34 0.74 0.00 0.00 0.00 178.15 178.19 1fhb h THR 96 N 0.54 0.26 -0.34 -0.27 2.02 0.13 0.16 112.91 115.42 1fhb h THR 96 Ca 0.31 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.56 1fhb h THR 96 Cb 0.30 0.26 -0.06 0.00 -1.74 0.00 0.00 68.15 66.92 1fhb h THR 96 CO -0.25 0.00 -0.06 0.22 0.37 0.00 0.00 175.52 175.80 1fhb h TYR 97 N -0.46 -0.14 0.16 3.16 3.20 -0.02 0.13 116.97 123.00 1fhb h TYR 97 Ca 0.07 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.97 1fhb h TYR 97 Cb 0.57 0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.95 1fhb h TYR 97 CO -0.39 -0.13 -0.11 1.25 -1.64 0.00 0.00 178.16 177.15 1fhb h LEU 98 N 0.02 -0.27 -0.59 2.82 5.85 -0.42 0.17 115.31 122.89 1fhb h LEU 98 Ca 0.16 0.02 0.12 0.00 0.84 0.00 0.00 57.88 59.02 1fhb h LEU 98 Cb 0.24 0.08 -0.11 0.00 0.37 0.00 0.00 40.66 41.25 1fhb h LEU 98 CO -0.33 -0.17 -0.08 0.50 -0.34 0.00 0.00 178.44 178.01 1fhb h LYS 99 N -0.26 0.04 -0.41 1.25 3.64 -0.43 0.28 116.57 120.67 1fhb h LYS 99 Ca -0.01 -0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.28 1fhb h LYS 99 Cb 0.23 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1fhb h LYS 99 CO 0.01 0.03 -0.08 -0.22 -2.27 0.00 0.00 179.45 176.92 1fhb h LYS 100 N 0.05 0.78 -0.19 1.90 3.11 -0.33 -2.55 116.57 119.34 1fhb h LYS 100 Ca 0.30 -0.29 -0.06 0.00 -2.81 0.00 0.00 60.65 57.78 1fhb h LYS 100 Cb 0.47 -0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 31.64 1fhb h LYS 100 CO -0.57 0.90 -0.17 0.00 -2.81 0.00 0.00 179.45 176.81 1fhb h ALA 101 N 0.86 1.36 -0.86 5.00 0.00 -0.22 -3.14 119.26 122.26 1fhb h ALA 101 Ca 0.11 -0.26 -0.51 0.00 0.00 0.00 0.00 54.91 54.25 1fhb h ALA 101 Cb 0.60 -0.10 -0.27 0.00 0.00 0.00 0.00 17.79 18.01 1fhb h ALA 101 CO 0.04 0.44 0.48 0.45 0.00 0.00 0.00 179.25 180.65 1fhb n SER 102 N -4.21 4.78 -0.14 0.00 2.88 0.93 -4.72 113.62 113.14 1fhb n SER 102 Ca -0.00 -3.71 0.15 0.00 -1.33 0.00 0.00 58.87 53.98 1fhb n SER 102 Cb 0.32 -0.81 0.82 0.00 -0.75 0.00 0.00 64.21 63.79 1fhb n SER 102 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02