#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 0.00 -1.66 1.09 0.00 -1.26 -5.10 120.64 113.70 1fhb n GLU -4 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 57.16 56.73 1fhb n GLU -4 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 31.44 31.43 1fhb n GLU -4 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1fhb n PHE -3 N -2.83 1.92 -4.32 -1.84 -0.00 -1.26 -5.03 117.46 104.10 1fhb n PHE -3 Ca 0.00 0.59 -0.18 0.00 -0.00 0.00 0.00 57.45 57.85 1fhb n PHE -3 Cb 0.00 -2.35 -0.14 0.00 -0.00 0.00 0.00 39.48 36.99 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 -1.84 0.79 0.45 -4.13 -2.85 -1.26 -5.13 119.74 105.77 1fhb s LYS -2 Ca 0.57 -0.57 -0.25 0.00 -1.00 0.00 0.00 55.97 54.73 1fhb s LYS -2 Cb -0.60 -0.75 -0.08 0.00 -2.06 0.00 0.00 37.83 34.34 1fhb s LYS -2 CO 0.61 0.19 1.41 0.00 0.10 0.00 0.00 175.35 177.66 1fhb s ALA -1 N -0.64 3.23 0.00 0.59 0.00 -1.26 -4.96 121.76 118.71 1fhb s ALA -1 Ca 0.01 1.43 0.00 0.00 0.00 0.00 0.00 51.96 53.40 1fhb s ALA -1 Cb -0.06 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.48 1fhb s ALA -1 CO 0.00 -1.16 0.00 0.41 0.00 0.00 0.00 175.76 175.02 1fhb n GLY 1 N 0.59 1.15 3.93 0.00 0.00 -1.26 -5.04 105.19 104.57 1fhb n GLY 1 Ca 0.05 -1.04 -0.26 0.00 0.00 0.00 0.00 46.02 44.78 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 6.35 0.21 1.61 0.15 -1.26 -5.00 113.70 114.77 1fhb s SER 2 Ca 0.00 0.42 -0.00 0.00 0.70 0.00 0.00 55.95 57.07 1fhb s SER 2 Cb 0.00 -2.02 0.19 0.00 -1.71 0.00 0.00 66.02 62.48 1fhb s SER 2 CO 0.00 -0.16 1.55 0.00 1.20 0.00 0.00 173.24 175.83 1fhb h ALA 3 N 1.42 0.79 -2.17 5.45 0.00 -1.89 -3.26 119.26 119.60 1fhb h ALA 3 Ca -0.49 -0.50 -0.45 0.00 0.00 0.00 0.00 54.91 53.47 1fhb h ALA 3 Cb 1.21 -0.09 0.15 0.00 0.00 0.00 0.00 17.79 19.06 1fhb h ALA 3 CO 0.65 0.68 0.41 0.15 0.00 0.00 0.00 179.25 181.13 1fhb s LYS 4 N -4.00 0.87 0.00 0.00 1.02 -1.26 -4.06 119.74 112.31 1fhb s LYS 4 Ca -0.06 -0.26 0.00 0.00 0.02 0.00 0.00 55.97 55.66 1fhb s LYS 4 Cb 0.12 -1.86 0.00 0.00 -0.52 0.00 0.00 37.83 35.57 1fhb s LYS 4 CO 0.82 -2.28 0.00 1.17 -0.92 0.00 0.00 175.35 174.14 1fhb n LYS 5 N -3.71 0.00 -0.27 1.68 4.81 -1.26 -4.21 118.16 115.20 1fhb n LYS 5 Ca 0.13 0.00 0.15 0.00 -0.87 0.00 0.00 58.31 57.73 1fhb n LYS 5 Cb 0.60 0.00 0.43 0.00 0.02 0.00 0.00 35.03 36.08 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 1.16 0.48 3.14 0.00 -1.78 0.61 103.07 106.68 1fhb h GLY 6 Ca 0.00 -0.26 0.06 0.00 0.00 0.00 0.00 47.33 47.13 1fhb h GLY 6 CO 0.00 0.02 -0.03 0.00 0.00 0.00 0.00 176.54 176.53 1fhb h ALA 7 N 1.61 0.25 -0.43 3.60 0.00 -1.73 1.00 119.26 123.56 1fhb h ALA 7 Ca 0.48 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.47 1fhb h ALA 7 Cb 0.95 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1fhb h ALA 7 CO -0.22 -0.43 0.21 1.15 0.00 0.00 0.00 179.25 179.96 1fhb h THR 8 N 0.06 1.17 -0.01 0.00 2.02 -1.29 -0.16 112.91 114.69 1fhb h THR 8 Ca 0.15 -0.48 0.02 0.00 0.77 0.00 0.00 66.41 66.86 1fhb h THR 8 Cb 0.21 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 1fhb h THR 8 CO -0.27 0.19 -0.08 -0.07 0.37 0.00 0.00 175.52 175.66 1fhb h LEU 9 N 0.55 -0.23 -0.38 2.58 -0.00 -0.76 0.15 115.31 117.23 1fhb h LEU 9 Ca 0.15 0.04 0.08 0.00 -0.00 0.00 0.00 57.88 58.15 1fhb h LEU 9 Cb 0.10 0.10 -0.08 0.00 -0.00 0.00 0.00 40.66 40.78 1fhb h LEU 9 CO -0.02 -0.12 -0.20 0.15 -0.00 0.00 0.00 178.44 178.26 1fhb h PHE 10 N -0.13 -0.49 -0.88 1.13 3.04 -0.61 -0.93 116.94 118.05 1fhb h PHE 10 Ca 0.04 0.04 0.05 0.00 3.98 0.00 0.00 57.97 62.08 1fhb h PHE 10 Cb 0.18 0.27 -0.05 0.00 2.56 0.00 0.00 35.95 38.91 1fhb h PHE 10 CO -0.15 -0.27 0.58 0.87 -2.02 0.00 0.00 178.31 177.31 1fhb h LYS 11 N -0.13 1.02 -0.44 1.11 1.57 -0.14 0.17 116.57 119.73 1fhb h LYS 11 Ca 0.19 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1fhb h LYS 11 Cb 0.42 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1fhb h LYS 11 CO -0.46 0.68 0.00 0.25 -0.57 0.00 0.00 179.45 179.35 1fhb n THR 12 N -4.47 0.60 0.00 -0.16 -2.24 0.46 -4.49 114.28 103.99 1fhb n THR 12 Ca 0.12 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 1fhb n THR 12 Cb 0.15 0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 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 0.72 0.00 -0.16 -0.78 1.74 -0.45 -4.98 116.66 112.76 1fhb n ARG 13 Ca 0.14 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 57.11 1fhb n ARG 13 Cb 0.37 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.81 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 0.71 0.27 -0.89 0.00 5.85 -1.50 0.15 115.31 119.91 1fhb h LEU 15 Ca 0.12 0.10 0.17 0.00 0.84 0.00 0.00 57.88 59.11 1fhb h LEU 15 Cb 0.64 0.07 -0.17 0.00 0.37 0.00 0.00 40.66 41.58 1fhb h LEU 15 CO 0.04 -0.07 -0.23 -0.61 -0.34 0.00 0.00 178.44 177.23 1fhb h GLN 16 N 0.17 -0.00 0.00 1.25 4.15 -1.67 -3.30 115.11 115.70 1fhb h GLN 16 Ca 0.73 0.00 -0.12 0.00 0.77 0.00 0.00 58.65 60.02 1fhb h GLN 16 Cb 2.25 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 29.92 1fhb h GLN 16 CO -0.31 -0.00 -1.47 0.00 -1.93 0.00 0.00 178.83 175.11 1fhb s HIS 18 N -2.17 1.56 0.04 0.00 3.76 0.23 -0.68 115.29 118.03 1fhb s HIS 18 Ca -0.05 -0.85 0.01 0.00 -0.15 0.00 0.00 55.06 54.02 1fhb s HIS 18 Cb 0.02 -1.91 -0.02 0.00 1.11 0.00 0.00 32.58 31.77 1fhb s HIS 18 CO 0.26 -0.53 -0.06 0.95 -0.85 0.00 0.00 174.74 174.52 1fhb s THR 19 N -2.78 0.38 -0.19 1.30 -4.23 -1.25 -4.41 115.64 104.46 1fhb s THR 19 Ca 0.34 -1.05 0.03 0.00 -1.18 0.00 0.00 61.69 59.83 1fhb s THR 19 Cb -0.02 -0.53 -0.13 0.00 1.34 0.00 0.00 72.50 73.16 1fhb s THR 19 CO 0.22 -0.45 -0.14 0.52 -0.54 0.00 0.00 174.62 174.22 1fhb n VAL 20 N 1.45 1.09 -1.57 2.29 0.31 -1.26 -0.57 118.33 120.07 1fhb n VAL 20 Ca -0.23 -0.45 -0.42 0.00 -0.01 0.00 0.00 64.34 63.23 1fhb n VAL 20 Cb 0.55 -1.11 0.01 0.00 -0.91 0.00 0.00 33.84 32.38 1fhb n VAL 20 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1fhb n GLU 21 N -3.00 1.14 -1.84 5.55 0.28 -1.26 -3.87 120.64 117.65 1fhb n GLU 21 Ca -0.33 0.41 -0.35 0.00 -0.16 0.00 0.00 57.16 56.73 1fhb n GLU 21 Cb 0.88 -1.88 -0.03 0.00 1.43 0.00 0.00 31.44 31.83 1fhb n GLU 21 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1fhb s LYS 22 N -1.87 2.36 0.00 3.44 1.02 -1.26 -0.82 119.74 122.61 1fhb s LYS 22 Ca 0.63 0.81 0.00 0.00 0.02 0.00 0.00 55.97 57.43 1fhb s LYS 22 Cb -0.59 -4.54 0.00 0.00 -0.52 0.00 0.00 37.83 32.18 1fhb s LYS 22 CO 0.57 -3.10 0.00 0.41 -0.92 0.00 0.00 175.35 172.31 1fhb n GLY 23 N 5.98 0.98 3.77 -3.33 0.00 -1.26 -5.09 105.19 106.24 1fhb n GLY 23 Ca 0.30 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.91 1fhb n GLY 23 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1fhb s GLY 24 N -1.82 2.80 0.73 -0.02 0.00 -0.00 -4.95 107.32 104.05 1fhb s GLY 24 Ca 0.00 1.57 -0.14 0.00 0.00 0.00 0.00 44.72 46.15 1fhb s GLY 24 CO 0.00 2.31 1.13 2.56 0.00 0.00 0.00 173.10 179.10 1fhb s PRO 25 N -1.81 2.34 -0.75 2.90 0.04 -1.26 -4.67 135.00 131.79 1fhb s PRO 25 Ca 0.54 1.45 -0.27 0.00 0.04 0.00 0.00 61.00 62.77 1fhb s PRO 25 Cb -0.47 -1.89 0.03 0.00 0.04 0.00 0.00 34.50 32.22 1fhb s PRO 25 CO 0.60 -1.62 1.27 -1.01 0.04 0.00 0.00 177.00 176.29 1fhb s HIS 26 N -2.41 2.32 0.00 0.56 3.76 -1.26 -4.39 115.29 113.87 1fhb s HIS 26 Ca 0.67 -0.13 0.00 0.00 -0.15 0.00 0.00 55.06 55.46 1fhb s HIS 26 Cb -0.22 -4.62 0.00 0.00 1.11 0.00 0.00 32.58 28.85 1fhb s HIS 26 CO 0.47 -2.05 0.00 1.63 -0.85 0.00 0.00 174.74 173.94 1fhb n LYS 27 N 9.26 0.00 -0.00 1.40 5.02 -1.26 -4.84 118.16 127.74 1fhb n LYS 27 Ca 0.05 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.17 1fhb n LYS 27 Cb 0.49 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.39 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 1.44 -1.76 -0.18 2.07 -1.75 -3.46 116.25 112.60 1fhb h VAL 28 Ca 0.00 -2.03 -0.50 0.00 0.82 0.00 0.00 66.70 64.99 1fhb h VAL 28 Cb 0.00 2.58 -0.04 0.00 -1.52 0.00 0.00 31.29 32.30 1fhb h VAL 28 CO 0.00 0.59 -0.45 -0.83 0.02 0.00 0.00 177.57 176.90 1fhb s GLY 29 N -4.03 1.91 0.86 2.17 0.00 0.15 -5.00 107.32 103.37 1fhb s GLY 29 Ca -0.14 -1.75 -0.14 0.00 0.00 0.00 0.00 44.72 42.69 1fhb s GLY 29 CO 0.81 -1.65 0.72 -1.55 0.00 0.00 0.00 173.10 171.43 1fhb n PRO 30 N -1.38 -2.69 -3.48 2.90 -0.04 -1.26 -4.41 135.00 124.64 1fhb n PRO 30 Ca -0.01 -1.15 -0.37 0.00 -0.04 0.00 0.00 63.50 61.93 1fhb n PRO 30 Cb 0.61 -1.13 -0.06 0.00 -0.04 0.00 0.00 33.50 32.87 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 -3.39 6.80 -0.12 3.54 3.84 -1.26 -3.78 114.94 120.58 1fhb s ASN 31 Ca 0.48 0.97 0.15 0.00 0.21 0.00 0.00 52.86 54.67 1fhb s ASN 31 Cb -0.05 -2.25 0.53 0.00 -0.55 0.00 0.00 41.25 38.93 1fhb s ASN 31 CO 0.37 0.27 1.45 0.18 -2.79 0.00 0.00 177.10 176.58 1fhb n LEU 32 N 1.52 3.96 -4.75 3.21 4.77 0.27 -4.97 117.00 121.01 1fhb n LEU 32 Ca -0.12 -2.59 -0.37 0.00 -0.03 0.00 0.00 56.01 52.91 1fhb n LEU 32 Cb 0.52 -0.47 0.04 0.00 -2.33 0.00 0.00 43.42 41.18 1fhb n LEU 32 CO 0.39 0.72 0.89 -2.28 -1.33 0.00 0.00 177.39 175.78 1fhb s HIS 33 N -2.07 2.31 -1.17 -1.77 2.46 -1.25 -3.48 115.29 110.32 1fhb s HIS 33 Ca 0.40 1.48 -0.04 0.00 0.47 0.00 0.00 55.06 57.36 1fhb s HIS 33 Cb 0.28 -3.61 0.03 0.00 -0.13 0.00 0.00 32.58 29.15 1fhb s HIS 33 CO 0.15 -2.52 0.26 0.41 -2.47 0.00 0.00 174.74 170.57 1fhb n GLY 34 N 0.67 -0.50 0.07 1.59 0.00 -0.99 -4.87 105.19 101.16 1fhb n GLY 34 Ca 0.13 0.05 -0.11 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.53 1.41 -0.70 -0.61 6.09 -1.85 -3.37 117.51 117.95 1fhb h ILE 35 Ca -0.36 -2.03 -0.14 0.00 -1.37 0.00 0.00 64.86 60.96 1fhb h ILE 35 Cb 1.25 2.65 -0.00 0.00 0.47 0.00 0.00 36.82 41.19 1fhb h ILE 35 CO 0.43 0.47 0.47 -0.36 -3.07 0.00 0.00 178.15 176.09 1fhb s PHE 36 N -2.16 1.19 0.00 2.19 0.40 -1.26 -1.44 117.98 116.90 1fhb s PHE 36 Ca -0.15 1.75 0.00 0.00 -0.60 0.00 0.00 56.93 57.93 1fhb s PHE 36 Cb -0.02 -3.54 0.00 0.00 0.51 0.00 0.00 43.02 39.97 1fhb s PHE 36 CO 0.55 -1.81 0.00 0.41 0.70 0.00 0.00 175.22 175.07 1fhb n GLY 37 N 6.62 1.27 3.63 4.36 0.00 -1.24 -5.05 105.19 114.78 1fhb n GLY 37 Ca 0.43 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 3.41 1.14 1.61 6.06 -0.52 -5.01 118.95 125.64 1fhb s ARG 38 Ca 0.00 -0.41 -0.13 0.00 -2.50 0.00 0.00 55.73 52.68 1fhb s ARG 38 Cb 0.00 -2.93 0.27 0.00 0.06 0.00 0.00 34.95 32.35 1fhb s ARG 38 CO 0.00 0.49 1.04 -1.14 -2.50 0.00 0.00 175.30 173.19 1fhb s GLN 39 N -0.28 -0.76 0.44 5.12 0.74 -1.25 -4.46 119.66 119.21 1fhb s GLN 39 Ca 0.06 0.69 -0.24 0.00 0.05 0.00 0.00 55.36 55.92 1fhb s GLN 39 Cb -0.12 -1.58 -0.08 0.00 1.10 0.00 0.00 33.01 32.32 1fhb s GLN 39 CO 0.02 -3.57 1.22 -1.54 -0.55 0.00 0.00 175.29 170.87 1fhb s SER 40 N -2.79 6.22 -0.07 6.67 1.04 0.20 -4.33 113.70 120.65 1fhb s SER 40 Ca 0.68 2.46 -0.01 0.00 0.48 0.00 0.00 55.95 59.56 1fhb s SER 40 Cb -0.23 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.27 1fhb s SER 40 CO 0.63 -0.89 0.04 0.61 0.98 0.00 0.00 173.24 174.61 1fhb n GLY 41 N 0.60 -2.30 2.27 7.32 0.00 -1.26 -4.71 105.19 107.10 1fhb n GLY 41 Ca 0.06 -0.02 -0.01 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.07 1.05 -2.76 1.61 10.64 -1.26 -4.96 117.38 121.62 1fhb n GLN 42 Ca 0.01 -2.28 -0.10 0.00 -1.83 0.00 0.00 57.00 52.80 1fhb n GLN 42 Cb 0.03 -0.48 0.08 0.00 -0.86 0.00 0.00 30.24 29.01 1fhb n GLN 42 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1fhb n ALA 43 N -0.53 -0.39 -1.66 2.61 0.00 -1.26 -5.10 120.51 114.17 1fhb n ALA 43 Ca -0.04 -1.62 -0.37 0.00 0.00 0.00 0.00 53.44 51.41 1fhb n ALA 43 Cb 0.88 -1.13 0.06 0.00 0.00 0.00 0.00 19.45 19.26 1fhb n ALA 43 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1fhb n GLU 44 N 0.28 0.96 0.00 0.00 1.02 -1.26 -3.49 120.64 118.16 1fhb n GLU 44 Ca 0.07 0.38 0.00 0.00 -0.02 0.00 0.00 57.16 57.59 1fhb n GLU 44 Cb 0.71 -2.31 0.00 0.00 -0.02 0.00 0.00 31.44 29.81 1fhb n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1fhb n GLY 45 N 1.15 3.15 3.72 0.62 0.00 -1.26 -5.07 105.19 107.50 1fhb n GLY 45 Ca 0.15 -0.92 -0.30 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.19 2.24 -1.16 1.61 5.04 -1.23 -4.88 117.35 118.79 1fhb s TYR 46 Ca 0.00 1.50 -0.23 0.00 -2.44 0.00 0.00 57.07 55.90 1fhb s TYR 46 Cb 0.00 -3.14 -0.08 0.00 0.35 0.00 0.00 41.96 39.09 1fhb s TYR 46 CO 0.00 -2.29 1.93 -1.54 -1.34 0.00 0.00 175.55 172.32 1fhb s SER 47 N -3.21 5.05 1.18 4.32 1.04 -1.26 -4.95 113.70 115.87 1fhb s SER 47 Ca 0.63 -1.57 -0.19 0.00 0.48 0.00 0.00 55.95 55.31 1fhb s SER 47 Cb -0.19 -2.59 0.28 0.00 0.10 0.00 0.00 66.02 63.62 1fhb s SER 47 CO 0.57 -3.03 1.12 -0.31 0.98 0.00 0.00 173.24 172.57 1fhb s TYR 48 N 10.88 0.65 0.01 5.02 1.51 -1.26 -5.04 117.35 129.11 1fhb s TYR 48 Ca 0.68 0.51 0.04 0.00 -1.01 0.00 0.00 57.07 57.29 1fhb s TYR 48 Cb -0.01 -3.48 -0.01 0.00 -0.11 0.00 0.00 41.96 38.34 1fhb s TYR 48 CO 0.12 -3.75 -0.11 0.95 -1.11 0.00 0.00 175.55 171.65 1fhb s THR 49 N -3.06 0.88 0.23 -0.71 -4.23 -1.26 -5.02 115.64 102.47 1fhb s THR 49 Ca 0.71 -0.63 -0.06 0.00 -1.18 0.00 0.00 61.69 60.53 1fhb s THR 49 Cb -0.10 -0.77 0.19 0.00 1.34 0.00 0.00 72.50 73.17 1fhb s THR 49 CO 0.56 0.14 1.74 -0.78 -0.54 0.00 0.00 174.62 175.73 1fhb h ASP 50 N 5.55 0.29 -0.31 3.99 3.58 -1.99 -1.81 116.42 125.72 1fhb h ASP 50 Ca -0.34 0.09 0.05 0.00 0.42 0.00 0.00 57.03 57.26 1fhb h ASP 50 Cb 1.18 0.07 -0.08 0.00 1.72 0.00 0.00 39.33 42.21 1fhb h ASP 50 CO 0.47 0.14 -0.49 0.00 -2.88 0.00 0.00 179.24 176.48 1fhb h ALA 51 N 1.50 -0.65 -0.47 -0.78 0.00 -1.93 0.24 119.26 117.16 1fhb h ALA 51 Ca 0.38 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.34 1fhb h ALA 51 Cb 0.52 0.97 -0.04 0.00 0.00 0.00 0.00 17.79 19.24 1fhb h ALA 51 CO -0.36 -0.98 0.23 -0.97 0.00 0.00 0.00 179.25 177.17 1fhb h ASN 52 N -0.43 0.31 0.27 0.00 -0.73 -1.72 0.13 115.58 113.42 1fhb h ASN 52 Ca 0.09 0.03 -0.01 0.00 1.87 0.00 0.00 56.30 58.28 1fhb h ASN 52 Cb 0.62 -0.03 -0.02 0.00 0.27 0.00 0.00 38.32 39.16 1fhb h ASN 52 CO -0.53 0.22 -0.34 0.40 -0.37 0.00 0.00 177.43 176.81 1fhb h ILE 53 N 0.45 0.00 0.00 2.57 2.04 -0.53 -1.18 117.51 120.86 1fhb h ILE 53 Ca 0.21 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.07 1fhb h ILE 53 Cb 0.13 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.21 1fhb h ILE 53 CO -0.16 0.00 0.00 0.29 0.00 0.00 0.00 178.15 178.28 1fhb n LYS 54 N -4.43 0.09 -2.08 2.37 5.02 0.77 -0.35 118.16 119.55 1fhb n LYS 54 Ca -0.07 0.54 -0.30 0.00 -2.02 0.00 0.00 58.31 56.46 1fhb n LYS 54 Cb 0.30 -1.77 0.02 0.00 -0.02 0.00 0.00 35.03 33.56 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 -1.96 3.26 -1.46 1.97 3.00 0.43 -5.02 118.16 118.39 1fhb n LYS 55 Ca -0.00 -4.06 -0.16 0.00 -0.00 0.00 0.00 58.31 54.09 1fhb n LYS 55 Cb 0.06 -2.27 -0.14 0.00 0.00 0.00 0.00 35.03 32.67 1fhb n LYS 55 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1fhb n ASN 56 N -0.62 -0.36 -4.79 3.14 5.03 0.53 -4.85 115.26 113.34 1fhb n ASN 56 Ca 0.47 -1.09 -0.36 0.00 0.87 0.00 0.00 54.58 54.47 1fhb n ASN 56 Cb 0.68 -0.97 -0.07 0.00 -1.02 0.00 0.00 39.78 38.40 1fhb n ASN 56 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1fhb s VAL 57 N 5.76 5.37 0.08 2.41 1.01 -1.26 -4.79 120.40 128.97 1fhb s VAL 57 Ca 0.99 0.17 0.33 0.00 0.00 0.00 0.00 61.98 63.47 1fhb s VAL 57 Cb -0.47 -3.39 0.36 0.00 0.00 0.00 0.00 36.38 32.89 1fhb s VAL 57 CO 0.32 0.53 1.99 0.25 0.00 0.00 0.00 175.10 178.19 1fhb h LEU 58 N 5.80 0.00 -1.14 3.92 7.12 -1.90 0.57 115.31 129.68 1fhb h LEU 58 Ca -0.48 0.00 -0.44 0.00 0.13 0.00 0.00 57.88 57.09 1fhb h LEU 58 Cb 1.19 0.00 0.03 0.00 -0.53 0.00 0.00 40.66 41.35 1fhb h LEU 58 CO 0.66 0.00 -0.75 0.79 -0.13 0.00 0.00 178.44 179.01 1fhb n TRP 59 N -2.87 -2.36 -1.58 1.25 5.03 -1.26 -3.82 117.44 111.82 1fhb n TRP 59 Ca 0.00 0.92 -0.29 0.00 3.03 0.00 0.00 57.50 61.16 1fhb n TRP 59 Cb 0.23 -4.36 0.15 0.00 -1.03 0.00 0.00 31.31 26.30 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 -3.56 3.33 0.25 -0.99 -4.77 -1.26 -3.72 116.67 105.95 1fhb s ASP 60 Ca 0.49 0.83 -0.03 0.00 -3.30 0.00 0.00 52.55 50.53 1fhb s ASP 60 Cb -0.24 -1.30 0.49 0.00 -1.09 0.00 0.00 42.92 40.78 1fhb s ASP 60 CO 0.80 -2.65 1.72 -0.08 0.70 0.00 0.00 175.17 175.67 1fhb h GLU 61 N -1.57 0.41 0.01 2.11 4.81 -1.98 0.31 114.58 118.69 1fhb h GLU 61 Ca -0.49 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 58.72 1fhb h GLU 61 Cb 1.32 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1fhb h GLU 61 CO 0.57 0.27 -0.00 -0.97 -0.73 0.00 0.00 179.01 178.15 1fhb h ASN 62 N 0.42 -0.01 -0.45 1.04 -1.24 -1.98 -0.17 115.58 113.20 1fhb h ASN 62 Ca 0.43 -0.83 0.03 0.00 0.71 0.00 0.00 56.30 56.63 1fhb h ASN 62 Cb 0.68 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.70 1fhb h ASN 62 CO -0.43 0.86 0.25 0.78 -1.29 0.00 0.00 177.43 177.60 1fhb h ASN 63 N -0.91 0.38 -0.20 1.15 4.21 -1.93 0.34 115.58 118.62 1fhb h ASN 63 Ca -0.00 0.01 0.04 0.00 1.21 0.00 0.00 56.30 57.56 1fhb h ASN 63 Cb 0.84 -0.06 -0.03 0.00 -1.12 0.00 0.00 38.32 37.94 1fhb h ASN 63 CO 0.00 0.27 -0.02 -0.03 -1.29 0.00 0.00 177.43 176.36 1fhb h MET 64 N 0.50 0.03 -0.27 0.81 4.05 -0.99 0.24 114.93 119.29 1fhb h MET 64 Ca 0.19 -0.00 0.07 0.00 -0.28 0.00 0.00 59.70 59.67 1fhb h MET 64 Cb 0.06 -0.01 -0.07 0.00 -0.80 0.00 0.00 31.60 30.77 1fhb h MET 64 CO -0.11 0.02 -0.24 1.03 0.23 0.00 0.00 176.91 177.84 1fhb h SER 65 N 0.03 -0.78 0.81 1.39 0.87 -0.11 0.15 113.55 115.90 1fhb h SER 65 Ca 0.10 0.14 -0.04 0.00 -1.23 0.00 0.00 61.79 60.76 1fhb h SER 65 Cb 0.13 0.37 0.01 0.00 -0.44 0.00 0.00 62.40 62.47 1fhb h SER 65 CO -0.18 -0.27 -0.39 -0.08 -0.53 0.00 0.00 176.83 175.38 1fhb h GLU 66 N -0.23 -1.04 -0.75 2.24 4.22 -0.63 -2.21 114.58 116.18 1fhb h GLU 66 Ca 0.15 0.07 0.12 0.00 0.08 0.00 0.00 59.36 59.78 1fhb h GLU 66 Cb 0.46 0.24 -0.13 0.00 0.50 0.00 0.00 28.75 29.82 1fhb h GLU 66 CO -0.41 -0.69 -0.37 -0.92 -2.18 0.00 0.00 179.01 174.45 1fhb h TYR 67 N -1.14 -1.05 0.00 0.92 3.20 -0.81 0.11 116.97 118.20 1fhb h TYR 67 Ca -0.11 0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.85 1fhb h TYR 67 Cb 0.84 0.57 0.00 0.00 1.54 0.00 0.00 36.73 39.68 1fhb h TYR 67 CO -0.01 -0.39 0.00 -0.11 -1.64 0.00 0.00 178.16 176.01 1fhb n LEU 68 N -5.44 0.57 0.19 2.82 7.94 0.50 -0.24 117.00 123.33 1fhb n LEU 68 Ca 0.06 0.65 0.11 0.00 -1.11 0.00 0.00 56.01 55.72 1fhb n LEU 68 Cb 0.37 -0.58 0.12 0.00 0.53 0.00 0.00 43.42 43.86 1fhb n LEU 68 CO -0.05 -0.54 0.58 0.74 -1.11 0.00 0.00 177.39 177.01 1fhb h THR 69 N 0.00 0.04 0.00 1.96 2.02 -0.15 0.91 112.91 117.69 1fhb h THR 69 Ca 0.00 -1.06 -0.15 0.00 0.77 0.00 0.00 66.41 65.98 1fhb h THR 69 Cb 0.32 1.89 -0.13 0.00 -1.74 0.00 0.00 68.15 68.49 1fhb h THR 69 CO 0.00 0.02 -0.25 -0.46 0.37 0.00 0.00 175.52 175.20 1fhb n ASN 70 N -2.99 -2.04 -0.62 4.18 0.23 0.66 -4.34 115.26 110.34 1fhb n ASN 70 Ca 0.03 -2.58 0.00 0.00 -0.53 0.00 0.00 54.58 51.50 1fhb n ASN 70 Cb 0.55 1.32 0.00 0.00 -2.08 0.00 0.00 39.78 39.56 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 1.38 0.08 0.00 -0.53 -0.04 -0.05 -1.44 135.00 134.40 1fhb n PRO 71 Ca 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1fhb n PRO 71 Cb 0.68 -1.14 0.00 0.00 -0.04 0.00 0.00 33.50 33.00 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 0.58 0.00 -0.09 0.54 3.00 -1.26 -0.56 118.16 120.36 1fhb n LYS 73 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.17 1fhb n LYS 73 Cb 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 35.01 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 1.00 -3.51 5.64 3.20 -1.58 -3.36 116.97 118.36 1fhb h TYR 74 Ca 0.00 -0.33 -0.68 0.00 3.14 0.00 0.00 58.73 60.86 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 1.13 -0.47 0.42 -1.64 0.00 0.00 178.16 177.59 1fhb s ILE 75 N -4.25 3.31 -1.48 1.81 1.01 0.27 -5.03 121.20 116.84 1fhb s ILE 75 Ca -0.12 -2.88 -0.12 0.00 0.00 0.00 0.00 60.65 57.54 1fhb s ILE 75 Cb 0.10 -3.21 -0.03 0.00 0.01 0.00 0.00 42.46 39.32 1fhb s ILE 75 CO 0.86 -0.82 2.55 -0.81 0.00 0.00 0.00 174.94 176.73 1fhb n PRO 76 N 3.61 3.16 0.00 2.79 -0.04 -1.26 -3.32 135.00 139.93 1fhb n PRO 76 Ca 0.05 -2.33 0.00 0.00 -0.04 0.00 0.00 63.50 61.19 1fhb n PRO 76 Cb 0.37 -3.01 0.00 0.00 -0.04 0.00 0.00 33.50 30.83 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 3.86 0.00 3.74 0.55 0.00 -1.26 -4.95 105.19 107.13 1fhb n GLY 77 Ca 0.64 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.34 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 4.48 -0.89 2.61 -1.32 -1.21 -4.57 115.64 114.73 1fhb s THR 78 Ca 0.00 -0.52 0.20 0.00 -1.21 0.00 0.00 61.69 60.16 1fhb s THR 78 Cb 0.00 -3.04 0.18 0.00 -1.51 0.00 0.00 72.50 68.13 1fhb s THR 78 CO 0.00 0.34 1.64 1.17 -2.21 0.00 0.00 174.62 175.56 1fhb n LYS 79 N 1.19 0.05 -1.80 7.08 4.81 -1.26 -4.75 118.16 123.48 1fhb n LYS 79 Ca -0.13 0.22 -0.20 0.00 -0.87 0.00 0.00 58.31 57.32 1fhb n LYS 79 Cb 0.53 -1.59 -0.08 0.00 0.02 0.00 0.00 35.03 33.91 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 -3.06 1.07 -0.83 3.14 0.00 -1.26 -4.82 121.76 115.99 1fhb s ALA 80 Ca 0.09 -1.55 -0.06 0.00 0.00 0.00 0.00 51.96 50.44 1fhb s ALA 80 Cb 0.12 -4.65 -0.07 0.00 0.00 0.00 0.00 23.12 18.52 1fhb s ALA 80 CO 0.38 -5.94 2.20 0.00 0.00 0.00 0.00 175.76 172.40 1fhb n ALA 81 N 17.13 4.82 -2.73 0.00 0.00 -1.26 -4.83 120.51 133.65 1fhb n ALA 81 Ca 0.43 -1.96 -0.33 0.00 0.00 0.00 0.00 53.44 51.59 1fhb n ALA 81 Cb 0.46 -2.92 -0.14 0.00 0.00 0.00 0.00 19.45 16.85 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 3.11 2.70 0.02 0.00 5.36 -1.26 -5.06 117.98 122.84 1fhb s PHE 82 Ca 0.41 -0.42 -0.25 0.00 -0.96 0.00 0.00 56.93 55.71 1fhb s PHE 82 Cb 0.12 -1.70 -0.18 0.00 -0.34 0.00 0.00 43.02 40.92 1fhb s PHE 82 CO -0.03 -0.02 1.38 0.78 -1.46 0.00 0.00 175.22 175.87 1fhb h GLY 83 N 5.94 -0.22 0.00 13.12 0.00 -1.96 -3.42 103.07 116.54 1fhb h GLY 83 Ca -0.37 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.04 1fhb h GLY 83 CO 0.52 -0.08 0.00 0.61 0.00 0.00 0.00 176.54 177.59 1fhb n GLY 84 N -0.37 4.30 2.89 4.60 0.00 -1.26 -4.55 105.19 110.81 1fhb n GLY 84 Ca -0.09 -1.21 -0.42 0.00 0.00 0.00 0.00 46.02 44.30 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 5.56 -0.26 0.99 4.77 0.32 -4.73 117.00 123.65 1fhb n LEU 85 Ca 0.00 -3.54 0.05 0.00 -0.03 0.00 0.00 56.01 52.49 1fhb n LEU 85 Cb 0.00 -1.39 0.28 0.00 -2.33 0.00 0.00 43.42 39.98 1fhb n LEU 85 CO 0.00 0.43 1.24 0.50 -1.33 0.00 0.00 177.39 178.22 1fhb h LYS 86 N 6.88 0.90 -0.71 3.23 3.11 -1.86 -3.04 116.57 125.08 1fhb h LYS 86 Ca 0.50 -0.05 0.05 0.00 -2.81 0.00 0.00 60.65 58.34 1fhb h LYS 86 Cb 0.64 -0.20 -0.04 0.00 -1.00 0.00 0.00 32.23 31.63 1fhb h LYS 86 CO 1.92 0.59 0.46 0.87 -2.81 0.00 0.00 179.45 180.49 1fhb h LYS 87 N 0.92 0.77 0.00 1.90 1.57 -2.00 -3.46 116.57 116.27 1fhb h LYS 87 Ca 0.37 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 1fhb h LYS 87 Cb 0.25 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1fhb h LYS 87 CO -0.14 0.51 0.00 -1.91 -0.57 0.00 0.00 179.45 177.34 1fhb n GLU 88 N -4.47 0.00 0.04 3.15 2.13 -1.15 -4.57 120.64 115.78 1fhb n GLU 88 Ca 0.10 0.00 0.06 0.00 0.66 0.00 0.00 57.16 57.98 1fhb n GLU 88 Cb 0.18 -0.00 0.48 0.00 0.27 0.00 0.00 31.44 32.37 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 0.30 5.31 6.56 -1.90 -2.27 116.57 124.97 1fhb h LYS 89 Ca 0.00 -0.02 -0.01 0.00 -1.06 0.00 0.00 60.65 59.55 1fhb h LYS 89 Cb 0.00 -0.09 0.00 0.00 -0.57 0.00 0.00 32.23 31.57 1fhb h LYS 89 CO 0.00 0.27 -0.14 -0.44 -2.06 0.00 0.00 179.45 177.08 1fhb h ASP 90 N 0.42 -0.34 -0.75 0.86 5.19 -1.95 -3.37 116.42 116.48 1fhb h ASP 90 Ca 0.14 -0.08 0.10 0.00 -0.62 0.00 0.00 57.03 56.56 1fhb h ASP 90 Cb 0.03 0.09 -0.11 0.00 0.18 0.00 0.00 39.33 39.52 1fhb h ASP 90 CO -0.03 0.14 -0.35 -1.14 -3.12 0.00 0.00 179.24 174.73 1fhb n ARG 91 N -5.04 -0.24 -0.17 3.56 0.63 -0.90 -0.42 116.66 114.09 1fhb n ARG 91 Ca -0.06 1.15 -0.05 0.00 -0.92 0.00 0.00 57.85 57.97 1fhb n ARG 91 Cb 0.20 -1.70 0.05 0.00 0.45 0.00 0.00 32.46 31.46 1fhb n ARG 91 CO 0.00 0.00 0.00 -2.95 -2.51 0.00 0.00 177.63 172.17 1fhb h ASN 92 N 0.00 0.40 0.07 6.15 7.08 -1.63 0.22 115.58 127.87 1fhb h ASN 92 Ca 0.21 0.02 -0.00 0.00 -3.08 0.00 0.00 56.30 53.45 1fhb h ASN 92 Cb 0.40 -0.05 0.00 0.00 -2.08 0.00 0.00 38.32 36.58 1fhb h ASN 92 CO -0.73 0.28 -0.03 0.44 -2.08 0.00 0.00 177.43 175.30 1fhb h ASP 93 N 0.52 -0.08 -0.10 6.14 3.32 -0.90 -1.19 116.42 124.13 1fhb h ASP 93 Ca 0.22 -0.16 0.04 0.00 0.02 0.00 0.00 57.03 57.15 1fhb h ASP 93 Cb 0.11 0.02 -0.06 0.00 0.22 0.00 0.00 39.33 39.62 1fhb h ASP 93 CO -0.14 0.11 -0.31 0.25 -1.72 0.00 0.00 179.24 177.43 1fhb h LEU 94 N -0.26 -0.97 -0.39 1.55 5.85 -0.50 0.14 115.31 120.72 1fhb h LEU 94 Ca -0.01 0.14 0.07 0.00 0.84 0.00 0.00 57.88 58.92 1fhb h LEU 94 Cb 0.23 0.41 -0.06 0.00 0.37 0.00 0.00 40.66 41.61 1fhb h LEU 94 CO 0.02 -0.36 0.03 0.40 -0.34 0.00 0.00 178.44 178.19 1fhb h ILE 95 N -0.41 0.74 -0.30 4.05 2.04 -0.54 0.82 117.51 123.91 1fhb h ILE 95 Ca 0.09 -0.05 0.06 0.00 1.00 0.00 0.00 64.86 65.96 1fhb h ILE 95 Cb 0.54 0.58 -0.06 0.00 -0.74 0.00 0.00 36.82 37.15 1fhb h ILE 95 CO -0.33 0.03 -0.08 0.74 0.00 0.00 0.00 178.15 178.51 1fhb h THR 96 N 0.14 0.69 0.13 -0.27 2.02 -0.34 0.15 112.91 115.43 1fhb h THR 96 Ca 0.19 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.39 1fhb h THR 96 Cb 0.26 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 67.33 1fhb h THR 96 CO -0.29 0.00 -0.25 0.22 0.37 0.00 0.00 175.52 175.57 1fhb h TYR 97 N -0.01 -0.67 -0.31 3.16 3.20 -0.33 -2.01 116.97 120.02 1fhb h TYR 97 Ca 0.14 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.05 1fhb h TYR 97 Cb 0.23 0.28 -0.03 0.00 1.54 0.00 0.00 36.73 38.74 1fhb h TYR 97 CO -0.29 -0.35 0.13 1.25 -1.64 0.00 0.00 178.16 177.26 1fhb h LEU 98 N -0.46 0.17 -0.67 2.82 5.85 -0.12 0.24 115.31 123.14 1fhb h LEU 98 Ca 0.03 0.02 0.13 0.00 0.84 0.00 0.00 57.88 58.91 1fhb h LEU 98 Cb 0.48 -0.00 -0.10 0.00 0.37 0.00 0.00 40.66 41.41 1fhb h LEU 98 CO -0.14 0.13 0.17 0.50 -0.34 0.00 0.00 178.44 178.76 1fhb h LYS 99 N 0.27 0.28 0.55 1.25 3.64 -0.67 0.51 116.57 122.40 1fhb h LYS 99 Ca 0.13 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.47 1fhb h LYS 99 Cb 0.08 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1fhb h LYS 99 CO -0.12 0.18 -0.26 -0.22 -2.27 0.00 0.00 179.45 176.76 1fhb h LYS 100 N 0.29 -0.71 -0.52 1.90 3.11 -0.41 -3.27 116.57 116.96 1fhb h LYS 100 Ca 0.37 0.05 0.15 0.00 -2.81 0.00 0.00 60.65 58.40 1fhb h LYS 100 Cb 0.58 0.16 -0.02 0.00 -1.00 0.00 0.00 32.23 31.95 1fhb h LYS 100 CO -0.45 -0.40 0.60 0.00 -2.81 0.00 0.00 179.45 176.40 1fhb h ALA 101 N -0.76 2.25 -0.23 5.00 0.00 0.43 0.23 119.26 126.17 1fhb h ALA 101 Ca -0.08 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.88 1fhb h ALA 101 Cb 0.63 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1fhb h ALA 101 CO 0.12 -0.87 0.21 0.66 0.00 0.00 0.00 179.25 179.37 1fhb h SER 102 N 0.00 0.00 -0.03 0.00 4.64 -0.99 -3.44 113.55 113.73 1fhb h SER 102 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 1fhb h SER 102 Cb 1.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.54 1fhb h SER 102 CO -0.00 0.00 0.00 1.21 -0.87 0.00 0.00 176.83 177.17