#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fhb n GLU -4 N 0.00 0.92 -1.68 -2.82 1.02 -1.26 -4.80 120.64 112.02 1fhb n GLU -4 Ca 0.00 0.06 -0.50 0.00 -0.02 0.00 0.00 57.16 56.71 1fhb n GLU -4 Cb 0.00 -1.38 -0.05 0.00 -0.02 0.00 0.00 31.44 29.99 1fhb n GLU -4 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1fhb n PHE -3 N -2.85 2.24 -3.62 -0.32 -0.00 -1.26 -4.97 117.46 106.67 1fhb n PHE -3 Ca -0.30 0.15 -0.36 0.00 -0.00 0.00 0.00 57.45 56.94 1fhb n PHE -3 Cb 0.91 -2.60 -0.07 0.00 -0.00 0.00 0.00 39.48 37.72 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 3.26 4.17 0.37 -4.13 -2.85 -1.26 -5.08 119.74 114.23 1fhb s LYS -2 Ca 0.91 -0.02 -0.27 0.00 -1.00 0.00 0.00 55.97 55.59 1fhb s LYS -2 Cb -0.76 -3.40 -0.10 0.00 -2.06 0.00 0.00 37.83 31.51 1fhb s LYS -2 CO 0.51 0.31 1.33 0.00 0.10 0.00 0.00 175.35 177.60 1fhb s ALA -1 N 0.28 3.39 1.00 0.59 0.00 -1.26 -4.99 121.76 120.77 1fhb s ALA -1 Ca 0.14 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.39 1fhb s ALA -1 Cb -0.12 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.50 1fhb s ALA -1 CO 0.02 -0.79 0.00 0.41 0.00 0.00 0.00 175.76 175.41 1fhb n GLY 1 N 0.69 -1.89 1.48 0.00 0.00 -1.26 -4.94 105.19 99.26 1fhb n GLY 1 Ca 0.02 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.55 1fhb n GLY 1 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1fhb n SER 2 N -1.35 3.91 0.00 1.61 2.88 -1.26 -4.92 113.62 114.50 1fhb n SER 2 Ca 0.00 -2.69 0.00 0.00 -1.33 0.00 0.00 58.87 54.85 1fhb n SER 2 Cb 0.00 -0.64 0.00 0.00 -0.75 0.00 0.00 64.21 62.82 1fhb n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1fhb n ALA 3 N 0.20 0.00 -1.02 -1.46 0.00 -1.26 -4.74 120.51 112.22 1fhb n ALA 3 Ca 0.22 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.56 1fhb n ALA 3 Cb 0.94 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.52 1fhb n ALA 3 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1fhb n LYS 4 N 0.00 -2.18 0.00 0.00 5.02 -1.26 -4.02 118.16 115.72 1fhb n LYS 4 Ca 0.00 -0.92 0.00 0.00 -2.02 0.00 0.00 58.31 55.37 1fhb n LYS 4 Cb 0.00 -0.87 0.00 0.00 -0.02 0.00 0.00 35.03 34.14 1fhb n LYS 4 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1fhb n LYS 5 N -3.29 0.00 -0.19 1.97 0.00 -1.26 -4.40 118.16 111.00 1fhb n LYS 5 Ca 0.08 0.00 0.12 0.00 0.00 0.00 0.00 58.31 58.51 1fhb n LYS 5 Cb 0.31 0.00 0.44 0.00 0.00 0.00 0.00 35.03 35.78 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 0.88 0.32 3.14 0.00 -1.73 0.56 103.07 106.24 1fhb h GLY 6 Ca 0.00 -0.24 0.07 0.00 0.00 0.00 0.00 47.33 47.16 1fhb h GLY 6 CO 0.00 0.11 -0.07 0.00 0.00 0.00 0.00 176.54 176.58 1fhb h ALA 7 N 1.63 0.25 -0.68 3.60 0.00 -1.77 0.90 119.26 123.20 1fhb h ALA 7 Ca 0.37 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.36 1fhb h ALA 7 Cb 0.64 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 1fhb h ALA 7 CO -0.13 -0.45 0.25 1.15 0.00 0.00 0.00 179.25 180.07 1fhb h THR 8 N 0.02 1.24 0.09 0.00 2.02 -1.27 0.48 112.91 115.50 1fhb h THR 8 Ca 0.17 -0.79 -0.00 0.00 0.77 0.00 0.00 66.41 66.56 1fhb h THR 8 Cb 0.26 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 1fhb h THR 8 CO -0.35 0.31 -0.05 -0.07 0.37 0.00 0.00 175.52 175.73 1fhb h LEU 9 N 0.96 -0.11 -0.40 2.58 -0.00 -0.96 0.10 115.31 117.49 1fhb h LEU 9 Ca 0.22 -0.15 0.08 0.00 -0.00 0.00 0.00 57.88 58.03 1fhb h LEU 9 Cb 0.23 0.03 -0.09 0.00 -0.00 0.00 0.00 40.66 40.83 1fhb h LEU 9 CO -0.02 0.09 -0.29 0.15 -0.00 0.00 0.00 178.44 178.38 1fhb h PHE 10 N -0.30 -0.78 -0.35 1.13 3.57 -0.63 -0.41 116.94 119.17 1fhb h PHE 10 Ca -0.01 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1fhb h PHE 10 Cb 0.25 0.40 -0.02 0.00 2.79 0.00 0.00 35.95 39.38 1fhb h PHE 10 CO -0.02 -0.35 0.23 0.87 -2.23 0.00 0.00 178.31 176.81 1fhb h LYS 11 N -0.22 0.46 -0.69 1.11 1.57 -0.53 0.14 116.57 118.42 1fhb h LYS 11 Ca 0.18 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1fhb h LYS 11 Cb 0.51 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1fhb h LYS 11 CO -0.52 0.31 0.00 0.25 -0.57 0.00 0.00 179.45 178.92 1fhb n THR 12 N -4.48 1.06 0.00 -0.16 -2.24 0.32 -4.55 114.28 104.23 1fhb n THR 12 Ca 0.02 -0.96 0.00 0.00 -2.27 0.00 0.00 64.05 60.84 1fhb n THR 12 Cb 0.07 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 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 1.47 0.00 -0.11 -0.78 3.00 -0.24 -4.99 116.66 115.01 1fhb n ARG 13 Ca 0.24 0.00 -0.10 0.00 -0.01 0.00 0.00 57.85 57.98 1fhb n ARG 13 Cb 0.63 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 33.07 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 0.39 0.43 -0.63 0.00 6.46 -1.27 0.92 115.31 121.61 1fhb h LEU 15 Ca 0.11 0.20 0.13 0.00 -0.12 0.00 0.00 57.88 58.19 1fhb h LEU 15 Cb 0.28 0.16 -0.10 0.00 -0.73 0.00 0.00 40.66 40.28 1fhb h LEU 15 CO -0.00 -0.21 0.05 0.06 -0.62 0.00 0.00 178.44 177.72 1fhb h GLN 16 N 0.22 0.16 0.01 1.25 3.07 -1.75 -3.17 115.11 114.90 1fhb h GLN 16 Ca 0.77 -0.01 -0.36 0.00 0.09 0.00 0.00 58.65 59.14 1fhb h GLN 16 Cb 1.93 -0.04 -0.06 0.00 0.08 0.00 0.00 27.48 29.39 1fhb h GLN 16 CO -0.61 0.11 -2.31 0.00 0.09 0.00 0.00 178.83 176.11 1fhb n HIS 18 N -2.94 -0.65 -3.97 0.00 8.25 0.11 -0.85 115.22 115.17 1fhb n HIS 18 Ca -0.34 -2.33 -0.09 0.00 -0.26 0.00 0.00 57.72 54.70 1fhb n HIS 18 Cb 1.10 -0.45 -0.11 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 -2.73 0.10 -0.06 1.59 -4.23 -1.26 -4.48 115.64 104.57 1fhb s THR 19 Ca 0.32 -0.87 0.06 0.00 -1.18 0.00 0.00 61.69 60.03 1fhb s THR 19 Cb -0.03 -0.25 -0.08 0.00 1.34 0.00 0.00 72.50 73.48 1fhb s THR 19 CO 0.21 -0.48 0.03 0.55 -0.54 0.00 0.00 174.62 174.39 1fhb n VAL 20 N 1.66 0.44 -2.24 2.29 3.14 -1.26 -0.87 118.33 121.50 1fhb n VAL 20 Ca -0.23 -0.28 -0.42 0.00 -2.96 0.00 0.00 64.34 60.44 1fhb n VAL 20 Cb 0.55 -0.77 -0.03 0.00 -1.06 0.00 0.00 33.84 32.53 1fhb n VAL 20 CO 0.00 0.00 0.00 -1.83 -6.46 0.00 0.00 176.83 168.54 1fhb s GLU 21 N -2.18 4.33 0.01 1.45 -1.05 -1.26 -4.12 118.70 115.88 1fhb s GLU 21 Ca -0.03 1.97 -0.30 0.00 -0.15 0.00 0.00 54.97 56.46 1fhb s GLU 21 Cb 0.02 -3.40 -0.08 0.00 -0.44 0.00 0.00 34.13 30.24 1fhb s GLU 21 CO 0.28 -0.46 1.86 0.21 0.95 0.00 0.00 175.26 178.10 1fhb s LYS 22 N 1.60 4.15 0.00 -4.83 2.20 -1.26 -0.85 119.74 120.76 1fhb s LYS 22 Ca 0.63 2.48 0.00 0.00 -0.36 0.00 0.00 55.97 58.72 1fhb s LYS 22 Cb -0.33 -4.08 0.00 0.00 -1.51 0.00 0.00 37.83 31.90 1fhb s LYS 22 CO 0.28 -0.92 0.00 0.41 -0.36 0.00 0.00 175.35 174.77 1fhb n GLY 23 N 4.40 1.52 3.70 5.54 0.00 -1.26 -5.08 105.19 114.01 1fhb n GLY 23 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.12 1.54 3.75 -0.02 0.00 -0.03 -4.94 105.19 105.37 1fhb n GLY 24 Ca 0.00 0.67 -0.29 0.00 0.00 0.00 0.00 46.02 46.39 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 1.78 1.16 -1.05 1.61 0.04 -1.26 -4.62 135.00 132.67 1fhb s PRO 25 Ca 0.78 0.54 -0.22 0.00 0.04 0.00 0.00 61.00 62.14 1fhb s PRO 25 Cb -0.52 -1.82 0.05 0.00 0.04 0.00 0.00 34.50 32.25 1fhb s PRO 25 CO 0.35 -2.23 1.51 -1.01 0.04 0.00 0.00 177.00 175.66 1fhb s HIS 26 N -3.09 2.52 0.00 0.56 3.76 -1.26 -4.36 115.29 113.41 1fhb s HIS 26 Ca 0.63 -0.86 0.00 0.00 -0.15 0.00 0.00 55.06 54.69 1fhb s HIS 26 Cb -0.16 -4.67 0.00 0.00 1.11 0.00 0.00 32.58 28.85 1fhb s HIS 26 CO 0.55 -1.91 0.00 1.63 -0.85 0.00 0.00 174.74 174.16 1fhb n LYS 27 N 8.82 0.00 -0.04 1.40 5.02 -1.26 -4.81 118.16 127.29 1fhb n LYS 27 Ca 0.35 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.45 1fhb n LYS 27 Cb 0.50 -0.02 -0.13 0.00 -0.02 0.00 0.00 35.03 35.37 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 1.27 -2.33 -0.18 2.07 -1.69 -3.47 116.25 111.92 1fhb h VAL 28 Ca 0.00 -2.33 -0.52 0.00 0.82 0.00 0.00 66.70 64.67 1fhb h VAL 28 Cb 0.00 2.82 -0.05 0.00 -1.52 0.00 0.00 31.29 32.54 1fhb h VAL 28 CO 0.00 0.56 -0.53 -0.83 0.02 0.00 0.00 177.57 176.79 1fhb s GLY 29 N -4.66 1.48 0.65 2.17 0.00 -0.03 -5.02 107.32 101.91 1fhb s GLY 29 Ca -0.22 -1.36 -0.14 0.00 0.00 0.00 0.00 44.72 43.00 1fhb s GLY 29 CO 0.70 -1.39 1.08 2.56 0.00 0.00 0.00 173.10 176.04 1fhb s PRO 30 N -3.66 3.00 0.24 2.90 0.04 -1.26 -4.46 135.00 131.80 1fhb s PRO 30 Ca 0.32 1.21 -0.31 0.00 0.04 0.00 0.00 61.00 62.26 1fhb s PRO 30 Cb -0.08 -1.99 -0.12 0.00 0.04 0.00 0.00 34.50 32.35 1fhb s PRO 30 CO 0.25 -1.07 1.68 -1.71 0.04 0.00 0.00 177.00 176.19 1fhb n ASN 31 N -2.48 3.96 -1.34 6.66 2.85 -1.26 -4.41 115.26 119.24 1fhb n ASN 31 Ca 0.09 1.09 0.11 0.00 -0.11 0.00 0.00 54.58 55.77 1fhb n ASN 31 Cb 0.53 -1.58 0.32 0.00 1.24 0.00 0.00 39.78 40.28 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 3.30 3.88 -4.67 1.20 4.77 -0.05 -4.91 117.00 120.53 1fhb n LEU 32 Ca 0.13 -1.94 -0.42 0.00 -0.03 0.00 0.00 56.01 53.75 1fhb n LEU 32 Cb 0.36 -0.48 -0.03 0.00 -2.33 0.00 0.00 43.42 40.94 1fhb n LEU 32 CO 0.64 0.95 1.19 -2.28 -1.33 0.00 0.00 177.39 176.56 1fhb s HIS 33 N -1.08 2.58 0.00 -1.77 2.46 -1.26 -2.40 115.29 113.81 1fhb s HIS 33 Ca 0.48 0.68 0.00 0.00 0.47 0.00 0.00 55.06 56.69 1fhb s HIS 33 Cb 0.25 -3.70 0.00 0.00 -0.13 0.00 0.00 32.58 29.01 1fhb s HIS 33 CO 0.32 -2.67 0.00 0.41 -2.47 0.00 0.00 174.74 170.33 1fhb n GLY 34 N 3.79 0.41 0.25 1.59 0.00 -1.25 -4.95 105.19 105.02 1fhb n GLY 34 Ca 0.15 -0.86 -0.09 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.70 -0.61 6.09 -1.73 -3.31 117.51 117.48 1fhb h ILE 35 Ca 0.00 -0.83 -0.45 0.00 -1.37 0.00 0.00 64.86 62.21 1fhb h ILE 35 Cb 0.00 0.78 -0.02 0.00 0.47 0.00 0.00 36.82 38.05 1fhb h ILE 35 CO 0.00 0.30 1.36 -0.36 -3.07 0.00 0.00 178.15 176.38 1fhb s PHE 36 N -5.35 1.44 0.00 2.19 0.40 -1.26 -0.91 117.98 114.50 1fhb s PHE 36 Ca -0.13 1.10 0.00 0.00 -0.60 0.00 0.00 56.93 57.30 1fhb s PHE 36 Cb 0.12 -3.88 0.00 0.00 0.51 0.00 0.00 43.02 39.77 1fhb s PHE 36 CO 0.80 -2.32 0.00 0.41 0.70 0.00 0.00 175.22 174.81 1fhb n GLY 37 N 5.93 0.51 3.64 4.36 0.00 -1.15 -4.96 105.19 113.52 1fhb n GLY 37 Ca 0.28 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.93 1fhb n GLY 37 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1fhb s ARG 38 N -0.67 4.06 0.91 1.61 6.06 -0.08 -4.97 118.95 125.86 1fhb s ARG 38 Ca 0.00 -0.13 -0.11 0.00 -2.50 0.00 0.00 55.73 52.99 1fhb s ARG 38 Cb 0.00 -3.58 0.13 0.00 0.06 0.00 0.00 34.95 31.57 1fhb s ARG 38 CO 0.00 -0.05 1.10 0.94 -2.50 0.00 0.00 175.30 174.79 1fhb n GLN 39 N 4.62 -0.39 -1.56 5.12 7.27 -1.26 -4.42 117.38 126.76 1fhb n GLN 39 Ca -0.12 -0.05 -0.30 0.00 0.07 0.00 0.00 57.00 56.60 1fhb n GLN 39 Cb 0.52 -2.35 0.08 0.00 2.41 0.00 0.00 30.24 30.90 1fhb n GLN 39 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 1fhb s SER 40 N -2.54 4.76 -1.22 1.69 1.04 0.14 -4.30 113.70 113.27 1fhb s SER 40 Ca 0.67 1.40 -0.01 0.00 0.48 0.00 0.00 55.95 58.49 1fhb s SER 40 Cb -0.24 -2.18 -0.00 0.00 0.10 0.00 0.00 66.02 63.70 1fhb s SER 40 CO 0.58 -1.81 0.90 0.61 0.98 0.00 0.00 173.24 174.50 1fhb n GLY 41 N -2.07 -0.39 0.01 7.32 0.00 -1.26 -4.71 105.19 104.09 1fhb n GLY 41 Ca 0.07 0.14 -0.01 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 -4.12 3.48 -1.90 1.61 -0.00 -1.26 -4.73 117.38 110.46 1fhb n GLN 42 Ca -0.28 -0.00 -0.31 0.00 -0.00 0.00 0.00 57.00 56.41 1fhb n GLN 42 Cb 0.67 -1.05 -0.06 0.00 -0.00 0.00 0.00 30.24 29.80 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 -2.10 2.12 -0.82 2.61 0.00 -1.26 -4.96 120.51 116.09 1fhb n ALA 43 Ca -0.03 -3.09 -0.34 0.00 0.00 0.00 0.00 53.44 49.98 1fhb n ALA 43 Cb 0.57 -3.51 0.11 0.00 0.00 0.00 0.00 19.45 16.62 1fhb n ALA 43 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1fhb n GLU 44 N 8.04 -0.49 0.00 0.00 2.13 -1.26 -3.63 120.64 125.43 1fhb n GLU 44 Ca 0.46 -0.12 0.00 0.00 0.66 0.00 0.00 57.16 58.16 1fhb n GLU 44 Cb 0.45 -1.59 0.00 0.00 0.27 0.00 0.00 31.44 30.57 1fhb n GLU 44 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1fhb n GLY 45 N 2.15 1.71 3.69 8.31 0.00 -1.26 -4.95 105.19 114.84 1fhb n GLY 45 Ca 0.03 -0.11 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 1fhb n GLY 45 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1fhb n TYR 46 N 0.00 1.39 -1.94 1.61 9.36 -1.24 -4.85 117.16 121.50 1fhb n TYR 46 Ca 0.00 0.41 -0.33 0.00 3.32 0.00 0.00 57.90 61.29 1fhb n TYR 46 Cb 0.00 -2.15 -0.05 0.00 -0.63 0.00 0.00 39.34 36.51 1fhb n TYR 46 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1fhb n SER 47 N -2.74 3.23 -1.95 2.98 3.41 -1.26 -4.91 113.62 112.38 1fhb n SER 47 Ca 0.14 -2.73 0.00 0.00 -0.26 0.00 0.00 58.87 56.02 1fhb n SER 47 Cb 0.50 -1.61 0.00 0.00 -0.26 0.00 0.00 64.21 62.83 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 12.03 -3.06 -4.13 7.33 4.01 -1.26 -5.01 117.16 127.08 1fhb n TYR 48 Ca 0.47 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 58.06 1fhb n TYR 48 Cb 0.45 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.35 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 0.05 0.57 0.22 -0.72 -4.23 -1.26 -5.03 115.64 105.24 1fhb s THR 49 Ca 0.00 -0.79 -0.08 0.00 -1.18 0.00 0.00 61.69 59.65 1fhb s THR 49 Cb 0.00 -0.57 0.18 0.00 1.34 0.00 0.00 72.50 73.45 1fhb s THR 49 CO 0.00 -0.17 1.72 -0.78 -0.54 0.00 0.00 174.62 174.85 1fhb h ASP 50 N 5.05 0.16 -0.31 3.99 3.58 -1.99 -1.92 116.42 124.97 1fhb h ASP 50 Ca -0.33 0.10 0.07 0.00 0.42 0.00 0.00 57.03 57.28 1fhb h ASP 50 Cb 1.20 0.11 -0.08 0.00 1.72 0.00 0.00 39.33 42.27 1fhb h ASP 50 CO 0.44 0.07 -0.37 0.00 -2.88 0.00 0.00 179.24 176.51 1fhb h ALA 51 N 1.49 -0.35 -0.05 -0.78 0.00 -1.88 0.23 119.26 117.92 1fhb h ALA 51 Ca 0.35 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.35 1fhb h ALA 51 Cb 0.50 0.76 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 1fhb h ALA 51 CO -0.38 -0.81 -0.15 -0.97 0.00 0.00 0.00 179.25 176.94 1fhb h ASN 52 N -0.34 -0.44 -0.31 0.00 -0.73 -1.61 0.14 115.58 112.29 1fhb h ASN 52 Ca 0.13 0.07 0.07 0.00 1.87 0.00 0.00 56.30 58.44 1fhb h ASN 52 Cb 0.57 0.20 -0.07 0.00 0.27 0.00 0.00 38.32 39.29 1fhb h ASN 52 CO -0.50 -0.20 -0.13 0.40 -0.37 0.00 0.00 177.43 176.64 1fhb h ILE 53 N -0.22 0.58 0.00 2.57 2.04 -0.62 -1.62 117.51 120.24 1fhb h ILE 53 Ca 0.07 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.84 1fhb h ILE 53 Cb 0.31 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 1fhb h ILE 53 CO -0.18 0.00 -0.39 0.11 0.00 0.00 0.00 178.15 177.69 1fhb h LYS 54 N -0.07 0.00 -1.97 2.37 1.57 -0.37 -2.64 116.57 115.47 1fhb h LYS 54 Ca 0.16 0.00 -0.45 0.00 -1.87 0.00 0.00 60.65 58.49 1fhb h LYS 54 Cb 0.31 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 32.46 1fhb h LYS 54 CO -0.36 0.39 0.29 1.17 -0.57 0.00 0.00 179.45 180.37 1fhb n LYS 55 N -3.96 2.30 -0.97 3.15 3.00 0.02 -4.90 118.16 116.80 1fhb n LYS 55 Ca -0.02 -2.11 -0.24 0.00 -0.00 0.00 0.00 58.31 55.94 1fhb n LYS 55 Cb 0.44 -2.09 -0.09 0.00 0.00 0.00 0.00 35.03 33.29 1fhb n LYS 55 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1fhb n ASN 56 N 1.05 0.52 -4.77 3.14 5.15 -1.00 -4.82 115.26 114.53 1fhb n ASN 56 Ca 0.47 -2.11 -0.37 0.00 -0.60 0.00 0.00 54.58 51.97 1fhb n ASN 56 Cb 0.60 -0.84 -0.06 0.00 -0.53 0.00 0.00 39.78 38.95 1fhb n ASN 56 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1fhb s VAL 57 N 9.13 5.22 0.21 3.44 1.01 -1.26 -4.68 120.40 133.46 1fhb s VAL 57 Ca 0.57 0.67 0.34 0.00 0.00 0.00 0.00 61.98 63.56 1fhb s VAL 57 Cb 0.05 -3.66 0.35 0.00 0.00 0.00 0.00 36.38 33.12 1fhb s VAL 57 CO 0.21 0.46 2.04 0.25 0.00 0.00 0.00 175.10 178.07 1fhb h LEU 58 N 5.92 0.00 -1.73 3.92 7.12 -1.90 0.41 115.31 129.05 1fhb h LEU 58 Ca -0.46 0.00 -0.34 0.00 0.13 0.00 0.00 57.88 57.22 1fhb h LEU 58 Cb 1.19 0.00 0.16 0.00 -0.53 0.00 0.00 40.66 41.48 1fhb h LEU 58 CO 0.70 0.00 -0.78 0.79 -0.13 0.00 0.00 178.44 179.01 1fhb n TRP 59 N -2.77 -2.17 -1.87 1.25 5.03 -1.26 -2.95 117.44 112.69 1fhb n TRP 59 Ca -0.01 0.92 -0.29 0.00 3.03 0.00 0.00 57.50 61.15 1fhb n TRP 59 Cb 0.12 -4.93 0.10 0.00 -1.03 0.00 0.00 31.31 25.57 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 -4.29 4.37 0.47 -0.99 -4.77 -1.26 -3.78 116.67 106.42 1fhb s ASP 60 Ca 0.03 0.77 0.18 0.00 -3.30 0.00 0.00 52.55 50.24 1fhb s ASP 60 Cb -0.01 -1.25 1.17 0.00 -1.09 0.00 0.00 42.92 41.75 1fhb s ASP 60 CO 0.74 -1.99 1.97 -0.08 0.70 0.00 0.00 175.17 176.51 1fhb h GLU 61 N -1.12 0.25 0.11 2.11 4.81 -1.98 -0.01 114.58 118.74 1fhb h GLU 61 Ca -0.46 -0.01 -0.35 0.00 -0.13 0.00 0.00 59.36 58.40 1fhb h GLU 61 Cb 1.33 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.63 1fhb h GLU 61 CO 0.65 0.16 -1.93 -1.71 -0.73 0.00 0.00 179.01 175.44 1fhb n ASN 62 N -4.44 1.90 -0.03 1.04 5.15 -1.26 -3.50 115.26 114.12 1fhb n ASN 62 Ca 0.11 0.26 -0.16 0.00 -0.60 0.00 0.00 54.58 54.19 1fhb n ASN 62 Cb 0.49 -0.73 -0.09 0.00 -0.53 0.00 0.00 39.78 38.92 1fhb n ASN 62 CO 0.00 0.00 0.00 0.78 1.40 0.00 0.00 177.26 179.44 1fhb h ASN 63 N 0.06 0.55 -0.97 1.20 2.35 -1.93 -3.32 115.58 113.52 1fhb h ASN 63 Ca -0.39 -0.64 0.15 0.00 -0.55 0.00 0.00 56.30 54.87 1fhb h ASN 63 Cb 2.03 -0.16 -0.10 0.00 0.05 0.00 0.00 38.32 40.15 1fhb h ASN 63 CO 0.09 1.10 0.59 -0.03 -1.65 0.00 0.00 177.43 177.53 1fhb h MET 64 N 0.03 0.80 0.15 0.81 4.05 -1.15 -1.48 114.93 118.15 1fhb h MET 64 Ca -0.03 -0.05 -0.00 0.00 -0.28 0.00 0.00 59.70 59.34 1fhb h MET 64 Cb 1.09 -0.18 -0.00 0.00 -0.80 0.00 0.00 31.60 31.70 1fhb h MET 64 CO 0.09 0.53 -0.10 0.66 0.23 0.00 0.00 176.91 178.33 1fhb h SER 65 N 0.83 -0.24 -0.00 1.39 4.64 -1.65 0.75 113.55 119.26 1fhb h SER 65 Ca 0.53 0.02 0.01 0.00 -0.47 0.00 0.00 61.79 61.87 1fhb h SER 65 Cb 0.69 0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.84 1fhb h SER 65 CO -0.33 -0.16 -0.06 -0.08 -0.87 0.00 0.00 176.83 175.33 1fhb h GLU 66 N -0.24 -0.11 0.07 4.77 4.22 -1.48 -0.23 114.58 121.58 1fhb h GLU 66 Ca -0.01 0.01 0.02 0.00 0.08 0.00 0.00 59.36 59.45 1fhb h GLU 66 Cb 0.21 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.43 1fhb h GLU 66 CO 0.01 -0.07 -0.54 -0.92 -2.18 0.00 0.00 179.01 175.31 1fhb h TYR 67 N -0.11 -1.57 -0.99 0.92 3.20 -1.16 -0.71 116.97 116.55 1fhb h TYR 67 Ca 0.03 0.05 0.16 0.00 3.14 0.00 0.00 58.73 62.10 1fhb h TYR 67 Cb 0.15 0.67 -0.10 0.00 1.54 0.00 0.00 36.73 38.99 1fhb h TYR 67 CO -0.14 -0.59 0.60 -0.07 -1.64 0.00 0.00 178.16 176.33 1fhb h LEU 68 N -0.72 0.82 -1.51 2.82 4.07 -0.64 0.20 115.31 120.35 1fhb h LEU 68 Ca 0.00 0.08 -0.05 0.00 0.08 0.00 0.00 57.88 57.99 1fhb h LEU 68 Cb 0.75 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 42.40 1fhb h LEU 68 CO -0.32 0.36 -0.21 0.74 -1.08 0.00 0.00 178.44 177.93 1fhb h THR 69 N 0.85 1.17 -0.78 0.22 2.02 -0.14 0.15 112.91 116.40 1fhb h THR 69 Ca 0.53 -0.79 -0.10 0.00 0.77 0.00 0.00 66.41 66.83 1fhb h THR 69 Cb 0.70 1.38 -0.16 0.00 -1.74 0.00 0.00 68.15 68.33 1fhb h THR 69 CO -0.33 0.23 -0.39 0.54 0.37 0.00 0.00 175.52 175.94 1fhb s ASN 70 N -6.97 -1.13 0.00 4.18 6.03 0.47 -3.88 114.94 113.64 1fhb s ASN 70 Ca -0.04 -1.32 0.00 0.00 -1.03 0.00 0.00 52.86 50.47 1fhb s ASN 70 Cb 0.15 1.48 0.00 0.00 -3.03 0.00 0.00 41.25 39.86 1fhb s ASN 70 CO 0.71 -0.04 0.28 -0.81 -2.03 0.00 0.00 177.10 175.20 1fhb n PRO 71 N 2.91 0.27 0.00 3.55 -0.04 0.18 -2.70 135.00 139.17 1fhb n PRO 71 Ca 0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 1fhb n PRO 71 Cb 0.58 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.68 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 0.89 0.00 -0.18 0.54 4.81 -1.26 -0.77 118.16 122.19 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 0.01 0.00 0.02 0.00 0.00 35.03 35.20 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 0.81 -3.44 5.64 3.20 -1.87 -3.34 116.97 117.97 1fhb h TYR 74 Ca 0.00 -0.07 -0.72 0.00 3.14 0.00 0.00 58.73 61.08 1fhb h TYR 74 Cb 0.00 -0.24 -0.26 0.00 1.54 0.00 0.00 36.73 37.77 1fhb h TYR 74 CO 0.00 0.69 -0.45 0.42 -1.64 0.00 0.00 178.16 177.18 1fhb s ILE 75 N -5.46 4.45 -1.29 1.81 -1.09 0.05 -5.01 121.20 114.66 1fhb s ILE 75 Ca -0.13 -1.27 -0.15 0.00 -2.23 0.00 0.00 60.65 56.88 1fhb s ILE 75 Cb 0.12 -3.68 -0.03 0.00 -1.58 0.00 0.00 42.46 37.29 1fhb s ILE 75 CO 0.78 -0.48 2.25 -0.81 -1.23 0.00 0.00 174.94 175.45 1fhb n PRO 76 N 4.98 2.61 0.00 2.79 -0.04 -1.26 -3.94 135.00 140.15 1fhb n PRO 76 Ca -0.11 -2.31 0.00 0.00 -0.04 0.00 0.00 63.50 61.04 1fhb n PRO 76 Cb 0.43 -3.10 0.00 0.00 -0.04 0.00 0.00 33.50 30.80 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 4.11 -0.35 3.17 0.55 0.00 -1.26 -4.84 105.19 106.57 1fhb n GLY 77 Ca 0.54 0.20 -0.13 0.00 0.00 0.00 0.00 46.02 46.64 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 -1.39 2.61 -1.32 -1.25 -4.19 115.64 110.13 1fhb s THR 78 Ca 0.00 -0.33 0.29 0.00 -1.21 0.00 0.00 61.69 60.44 1fhb s THR 78 Cb 0.00 -0.47 0.48 0.00 -1.51 0.00 0.00 72.50 70.99 1fhb s THR 78 CO 0.00 -0.18 1.98 1.17 -2.21 0.00 0.00 174.62 175.38 1fhb n LYS 79 N 2.01 0.37 -1.99 7.08 4.81 -1.26 -4.81 118.16 124.37 1fhb n LYS 79 Ca -0.18 0.02 -0.25 0.00 -0.87 0.00 0.00 58.31 57.02 1fhb n LYS 79 Cb 0.57 -1.50 -0.06 0.00 0.02 0.00 0.00 35.03 34.06 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 -2.61 1.57 -0.60 3.14 0.00 -1.26 -4.91 121.76 117.09 1fhb s ALA 80 Ca 0.26 -1.62 -0.11 0.00 0.00 0.00 0.00 51.96 50.49 1fhb s ALA 80 Cb 0.19 -4.60 0.15 0.00 0.00 0.00 0.00 23.12 18.87 1fhb s ALA 80 CO 0.44 -5.11 0.49 0.00 0.00 0.00 0.00 175.76 171.58 1fhb s ALA 81 N 11.03 3.64 0.23 0.00 0.00 -1.26 -4.81 121.76 130.60 1fhb s ALA 81 Ca 0.72 -2.85 -0.06 0.00 0.00 0.00 0.00 51.96 49.77 1fhb s ALA 81 Cb -0.06 -3.06 -0.02 0.00 0.00 0.00 0.00 23.12 19.99 1fhb s ALA 81 CO 0.05 -2.05 0.31 -0.59 0.00 0.00 0.00 175.76 173.48 1fhb s PHE 82 N 0.89 0.82 -1.12 0.00 -0.71 -1.26 -5.08 117.98 111.52 1fhb s PHE 82 Ca 0.10 -1.09 -0.23 0.00 -1.04 0.00 0.00 56.93 54.66 1fhb s PHE 82 Cb -0.22 -0.20 -0.09 0.00 -1.21 0.00 0.00 43.02 41.30 1fhb s PHE 82 CO -0.02 -0.84 1.96 0.20 -1.34 0.00 0.00 175.22 175.18 1fhb s GLY 83 N -3.11 0.04 -0.02 1.99 0.00 -1.26 -4.93 107.32 100.04 1fhb s GLY 83 Ca 0.31 -1.96 -0.23 0.00 0.00 0.00 0.00 44.72 42.84 1fhb s GLY 83 CO 0.12 3.62 0.63 0.61 0.00 0.00 0.00 173.10 178.08 1fhb n GLY 84 N 6.04 -0.14 3.58 0.20 0.00 -1.26 -4.72 105.19 108.88 1fhb n GLY 84 Ca 0.44 0.44 -0.30 0.00 0.00 0.00 0.00 46.02 46.60 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 0.12 3.17 0.16 0.99 1.43 0.51 -4.72 118.68 120.35 1fhb s LEU 85 Ca 0.52 -1.57 0.01 0.00 -1.03 0.00 0.00 54.13 52.06 1fhb s LEU 85 Cb -0.73 -2.58 -0.00 0.00 0.03 0.00 0.00 46.19 42.90 1fhb s LEU 85 CO 0.33 -2.77 1.38 0.50 0.23 0.00 0.00 176.35 176.03 1fhb h LYS 86 N 9.76 0.24 -0.88 1.70 3.11 -1.84 -3.35 116.57 125.32 1fhb h LYS 86 Ca 0.22 -0.25 0.13 0.00 -2.81 0.00 0.00 60.65 57.94 1fhb h LYS 86 Cb 0.94 0.07 -0.09 0.00 -1.00 0.00 0.00 32.23 32.16 1fhb h LYS 86 CO 1.25 0.97 0.49 0.87 -2.81 0.00 0.00 179.45 180.22 1fhb h LYS 87 N 0.14 0.72 0.00 1.90 1.57 -1.98 -3.45 116.57 115.47 1fhb h LYS 87 Ca -0.05 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1fhb h LYS 87 Cb 1.48 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.63 1fhb h LYS 87 CO 0.14 0.48 0.00 -1.91 -0.57 0.00 0.00 179.45 177.58 1fhb n GLU 88 N -4.78 0.00 -0.08 3.15 2.13 -1.25 -4.65 120.64 115.15 1fhb n GLU 88 Ca 0.17 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.88 1fhb n GLU 88 Cb 0.38 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 32.05 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 0.41 -0.32 5.31 6.56 -1.94 0.11 116.57 126.70 1fhb h LYS 89 Ca 0.00 -0.12 0.06 0.00 -1.06 0.00 0.00 60.65 59.53 1fhb h LYS 89 Cb 0.00 -0.04 -0.05 0.00 -0.57 0.00 0.00 32.23 31.56 1fhb h LYS 89 CO 0.00 0.55 -0.01 -0.44 -2.06 0.00 0.00 179.45 177.49 1fhb h ASP 90 N 0.21 -0.16 -0.86 0.86 3.32 -2.00 -2.65 116.42 115.14 1fhb h ASP 90 Ca 0.07 0.08 0.22 0.00 0.02 0.00 0.00 57.03 57.42 1fhb h ASP 90 Cb 0.35 0.14 -0.13 0.00 0.22 0.00 0.00 39.33 39.91 1fhb h ASP 90 CO 0.01 -0.04 0.27 -0.09 -1.72 0.00 0.00 179.24 177.67 1fhb h ARG 91 N 0.08 0.27 0.08 3.56 2.43 -1.51 0.54 114.38 119.83 1fhb h ARG 91 Ca 0.15 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.33 1fhb h ARG 91 Cb 0.21 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.66 1fhb h ARG 91 CO -0.27 0.18 -0.36 -0.91 -1.51 0.00 0.00 179.97 177.09 1fhb h ASN 92 N 0.27 -1.07 -0.14 -3.80 4.21 -0.47 0.23 115.58 114.81 1fhb h ASN 92 Ca 0.53 0.13 -0.01 0.00 1.21 0.00 0.00 56.30 58.16 1fhb h ASN 92 Cb 1.04 0.41 -0.01 0.00 -1.12 0.00 0.00 38.32 38.64 1fhb h ASN 92 CO -0.59 -0.44 0.04 0.44 -1.29 0.00 0.00 177.43 175.59 1fhb h ASP 93 N -0.57 0.21 -0.22 5.81 3.32 -1.35 -1.62 116.42 121.99 1fhb h ASP 93 Ca 0.04 -0.22 0.06 0.00 0.02 0.00 0.00 57.03 56.93 1fhb h ASP 93 Cb 0.62 -0.05 -0.07 0.00 0.22 0.00 0.00 39.33 40.04 1fhb h ASP 93 CO -0.24 0.37 -0.34 0.25 -1.72 0.00 0.00 179.24 177.56 1fhb h LEU 94 N 0.04 -1.10 -0.44 1.55 5.85 -0.75 0.16 115.31 120.62 1fhb h LEU 94 Ca 0.04 0.17 0.08 0.00 0.84 0.00 0.00 57.88 59.01 1fhb h LEU 94 Cb 0.24 0.48 -0.07 0.00 0.37 0.00 0.00 40.66 41.68 1fhb h LEU 94 CO -0.00 -0.36 0.01 0.40 -0.34 0.00 0.00 178.44 178.15 1fhb h ILE 95 N -0.37 0.67 -0.21 4.05 2.04 -0.46 0.16 117.51 123.41 1fhb h ILE 95 Ca 0.12 -0.04 0.05 0.00 1.00 0.00 0.00 64.86 65.99 1fhb h ILE 95 Cb 0.56 0.54 -0.06 0.00 -0.74 0.00 0.00 36.82 37.12 1fhb h ILE 95 CO -0.43 0.02 -0.17 0.74 0.00 0.00 0.00 178.15 178.32 1fhb h THR 96 N 0.12 0.54 -0.21 -0.27 2.02 -0.37 0.12 112.91 114.85 1fhb h THR 96 Ca 0.22 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.44 1fhb h THR 96 Cb 0.32 0.54 -0.04 0.00 -1.74 0.00 0.00 68.15 67.23 1fhb h THR 96 CO -0.36 0.00 -0.03 0.22 0.37 0.00 0.00 175.52 175.72 1fhb h TYR 97 N -0.17 -0.07 -0.15 3.16 3.20 0.18 -0.32 116.97 122.81 1fhb h TYR 97 Ca 0.12 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.01 1fhb h TYR 97 Cb 0.35 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.68 1fhb h TYR 97 CO -0.32 -0.06 0.09 1.25 -1.64 0.00 0.00 178.16 177.48 1fhb h LEU 98 N 0.03 0.18 -0.24 2.82 5.85 -0.09 0.18 115.31 124.04 1fhb h LEU 98 Ca 0.10 -0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.81 1fhb h LEU 98 Cb 0.14 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.06 1fhb h LEU 98 CO -0.20 0.18 -0.52 0.50 -0.34 0.00 0.00 178.44 178.06 1fhb h LYS 99 N 0.16 -0.48 -0.23 1.25 3.64 -0.62 0.14 116.57 120.42 1fhb h LYS 99 Ca 0.05 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1fhb h LYS 99 Cb 0.03 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 1fhb h LYS 99 CO -0.01 -0.32 0.15 -0.22 -2.27 0.00 0.00 179.45 176.78 1fhb h LYS 100 N -0.50 0.29 -0.66 1.90 3.11 -0.38 0.99 116.57 121.32 1fhb h LYS 100 Ca 0.06 -0.02 0.16 0.00 -2.81 0.00 0.00 60.65 58.04 1fhb h LYS 100 Cb 0.65 -0.07 -0.04 0.00 -1.00 0.00 0.00 32.23 31.77 1fhb h LYS 100 CO -0.49 0.19 0.46 0.00 -2.81 0.00 0.00 179.45 176.80 1fhb h ALA 101 N 1.09 2.35 -0.57 5.00 0.00 -0.41 -1.00 119.26 125.73 1fhb h ALA 101 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1fhb h ALA 101 Cb -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1fhb h ALA 101 CO -0.03 -0.53 0.00 0.45 0.00 0.00 0.00 179.25 179.14 1fhb n SER 102 N -4.42 3.66 0.00 0.00 2.88 0.45 -4.67 113.62 111.52 1fhb n SER 102 Ca 0.13 -2.20 0.00 0.00 -1.33 0.00 0.00 58.87 55.46 1fhb n SER 102 Cb 0.60 -0.47 0.00 0.00 -0.75 0.00 0.00 64.21 63.59 1fhb n SER 102 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02