#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 2.73 -0.17 -2.82 -1.05 -1.26 -4.98 118.70 111.16 1fhb s GLU -4 Ca 0.00 1.58 -0.29 0.00 -0.15 0.00 0.00 54.97 56.11 1fhb s GLU -4 Cb 0.00 -1.93 -0.03 0.00 -0.44 0.00 0.00 34.13 31.73 1fhb s GLU -4 CO 0.00 -1.34 1.57 0.12 0.95 0.00 0.00 175.26 176.56 1fhb s PHE -3 N -2.06 2.19 -0.15 4.83 2.19 -1.26 -5.00 117.98 118.72 1fhb s PHE -3 Ca 0.71 0.53 -0.18 0.00 0.33 0.00 0.00 56.93 58.32 1fhb s PHE -3 Cb -0.25 -3.90 -0.04 0.00 -1.31 0.00 0.00 43.02 37.53 1fhb s PHE -3 CO 0.39 -2.96 0.49 0.15 1.83 0.00 0.00 175.22 175.12 1fhb s LYS -2 N 4.34 4.28 0.73 10.12 1.02 -1.26 -5.06 119.74 133.90 1fhb s LYS -2 Ca 0.69 0.43 -0.08 0.00 0.02 0.00 0.00 55.97 57.02 1fhb s LYS -2 Cb -0.26 -3.48 0.06 0.00 -0.52 0.00 0.00 37.83 33.62 1fhb s LYS -2 CO 0.27 0.05 1.06 0.00 -0.92 0.00 0.00 175.35 175.81 1fhb s ALA -1 N 0.99 3.00 0.00 5.17 0.00 -1.26 -5.11 121.76 124.56 1fhb s ALA -1 Ca 0.25 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.43 1fhb s ALA -1 Cb -0.15 -2.74 0.00 0.00 0.00 0.00 0.00 23.12 20.23 1fhb s ALA -1 CO 0.10 -1.36 0.00 0.41 0.00 0.00 0.00 175.76 174.91 1fhb n GLY 1 N -3.02 0.71 3.69 0.00 0.00 -1.26 -5.06 105.19 100.25 1fhb n GLY 1 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1fhb n GLY 1 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1fhb s SER 2 N -0.65 7.21 -0.04 1.61 1.04 -1.26 -4.97 113.70 116.63 1fhb s SER 2 Ca 0.00 1.58 -0.25 0.00 0.48 0.00 0.00 55.95 57.76 1fhb s SER 2 Cb 0.00 -2.56 -0.20 0.00 0.10 0.00 0.00 66.02 63.36 1fhb s SER 2 CO 0.00 -0.48 1.11 0.00 0.98 0.00 0.00 173.24 174.85 1fhb h ALA 3 N 7.17 -0.06 -2.22 5.32 0.00 -1.89 -3.37 119.26 124.19 1fhb h ALA 3 Ca -0.31 -0.27 -0.45 0.00 0.00 0.00 0.00 54.91 53.87 1fhb h ALA 3 Cb 1.15 0.03 0.19 0.00 0.00 0.00 0.00 17.79 19.16 1fhb h ALA 3 CO 0.86 -0.24 0.09 -1.59 0.00 0.00 0.00 179.25 178.37 1fhb s LYS 4 N -3.80 -0.29 0.00 0.00 -2.85 -1.26 -3.55 119.74 107.99 1fhb s LYS 4 Ca -0.16 0.82 0.00 0.00 -1.00 0.00 0.00 55.97 55.64 1fhb s LYS 4 Cb 0.01 -1.63 0.00 0.00 -2.06 0.00 0.00 37.83 34.15 1fhb s LYS 4 CO 0.63 -3.30 0.00 1.17 0.10 0.00 0.00 175.35 173.95 1fhb n LYS 5 N -4.61 0.00 -0.34 1.78 4.81 -1.26 -4.48 118.16 114.06 1fhb n LYS 5 Ca 0.05 0.00 0.15 0.00 -0.87 0.00 0.00 58.31 57.63 1fhb n LYS 5 Cb 0.55 0.00 0.36 0.00 0.02 0.00 0.00 35.03 35.96 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 1.65 0.54 3.14 0.00 -1.71 0.18 103.07 106.87 1fhb h GLY 6 Ca 0.00 -0.33 0.04 0.00 0.00 0.00 0.00 47.33 47.05 1fhb h GLY 6 CO 0.00 -0.07 -0.07 0.00 0.00 0.00 0.00 176.54 176.40 1fhb h ALA 7 N 1.64 0.11 -0.71 3.60 0.00 -1.78 0.75 119.26 122.88 1fhb h ALA 7 Ca 0.57 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.52 1fhb h ALA 7 Cb 0.99 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 1fhb h ALA 7 CO -0.36 -0.50 0.28 1.15 0.00 0.00 0.00 179.25 179.83 1fhb h THR 8 N -0.03 1.25 0.69 0.00 2.02 -1.11 1.00 112.91 116.73 1fhb h THR 8 Ca 0.11 -0.78 -0.03 0.00 0.77 0.00 0.00 66.41 66.47 1fhb h THR 8 Cb 0.19 0.44 0.01 0.00 -1.74 0.00 0.00 68.15 67.04 1fhb h THR 8 CO -0.23 0.31 -0.33 -0.07 0.37 0.00 0.00 175.52 175.57 1fhb h LEU 9 N 1.01 -0.79 -0.61 2.58 -0.00 -0.69 -0.70 115.31 116.11 1fhb h LEU 9 Ca 0.24 0.02 0.12 0.00 -0.00 0.00 0.00 57.88 58.26 1fhb h LEU 9 Cb 0.22 0.20 -0.12 0.00 -0.00 0.00 0.00 40.66 40.96 1fhb h LEU 9 CO -0.02 -0.56 -0.25 0.15 -0.00 0.00 0.00 178.44 177.76 1fhb h PHE 10 N -0.94 -0.63 -0.28 1.13 3.57 -0.58 0.22 116.94 119.43 1fhb h PHE 10 Ca -0.10 0.06 0.03 0.00 3.53 0.00 0.00 57.97 61.50 1fhb h PHE 10 Cb 0.72 0.37 -0.01 0.00 2.79 0.00 0.00 35.95 39.81 1fhb h PHE 10 CO -0.02 -0.34 0.19 0.87 -2.23 0.00 0.00 178.31 176.78 1fhb h LYS 11 N -0.09 0.25 -0.00 1.11 1.57 -0.54 0.20 116.57 119.07 1fhb h LYS 11 Ca 0.27 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1fhb h LYS 11 Cb 0.52 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1fhb h LYS 11 CO -0.67 0.17 -0.81 0.25 -0.57 0.00 0.00 179.45 177.82 1fhb n THR 12 N -4.49 0.00 0.03 -0.16 -2.24 0.03 -4.49 114.28 102.96 1fhb n THR 12 Ca 0.02 -0.07 -0.01 0.00 -2.27 0.00 0.00 64.05 61.72 1fhb n THR 12 Cb 0.16 0.99 -0.00 0.00 -2.10 0.00 0.00 70.33 69.37 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 -1.11 0.06 -0.09 -0.78 3.00 0.55 -4.91 116.66 113.39 1fhb n ARG 13 Ca 0.06 0.03 -0.22 0.00 -0.01 0.00 0.00 57.85 57.70 1fhb n ARG 13 Cb 0.37 -0.61 -0.12 0.00 0.00 0.00 0.00 32.46 32.10 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 -0.32 0.35 -0.90 0.00 5.85 -1.21 0.16 115.31 119.24 1fhb h LEU 15 Ca -0.53 0.07 0.11 0.00 0.84 0.00 0.00 57.88 58.38 1fhb h LEU 15 Cb 1.80 0.02 -0.13 0.00 0.37 0.00 0.00 40.66 42.72 1fhb h LEU 15 CO -0.12 0.05 -0.43 1.67 -0.34 0.00 0.00 178.44 179.27 1fhb n GLN 16 N -4.55 -0.29 -0.07 1.25 7.27 -1.26 -3.43 117.38 116.30 1fhb n GLN 16 Ca 0.26 1.37 -0.07 0.00 0.07 0.00 0.00 57.00 58.64 1fhb n GLN 16 Cb 0.98 -2.03 -0.12 0.00 2.41 0.00 0.00 30.24 31.48 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 -2.42 1.56 0.08 0.00 3.76 0.04 -1.03 115.29 117.28 1fhb s HIS 18 Ca -0.08 -0.88 -0.01 0.00 -0.15 0.00 0.00 55.06 53.95 1fhb s HIS 18 Cb 0.05 -1.87 -0.04 0.00 1.11 0.00 0.00 32.58 31.83 1fhb s HIS 18 CO 0.64 -0.45 -0.01 0.95 -0.85 0.00 0.00 174.74 175.03 1fhb s THR 19 N -2.80 0.26 0.00 1.30 -4.23 -1.26 -4.42 115.64 104.48 1fhb s THR 19 Ca 0.30 -1.86 0.00 0.00 -1.18 0.00 0.00 61.69 58.95 1fhb s THR 19 Cb -0.02 -1.71 0.00 0.00 1.34 0.00 0.00 72.50 72.11 1fhb s THR 19 CO 0.19 -0.82 0.51 0.55 -0.54 0.00 0.00 174.62 174.51 1fhb n VAL 20 N 0.02 0.17 -1.70 2.29 3.14 -1.26 -0.50 118.33 120.49 1fhb n VAL 20 Ca -0.11 -0.49 -0.30 0.00 -2.96 0.00 0.00 64.34 60.48 1fhb n VAL 20 Cb 0.62 1.07 0.06 0.00 -1.06 0.00 0.00 33.84 34.53 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 -0.17 2.71 -0.22 1.45 2.02 -1.26 -3.91 118.70 119.33 1fhb s GLU 21 Ca 0.00 0.66 -0.37 0.00 0.02 0.00 0.00 54.97 55.29 1fhb s GLU 21 Cb 0.00 -1.99 -0.13 0.00 0.10 0.00 0.00 34.13 32.11 1fhb s GLU 21 CO 0.00 -1.18 1.89 1.63 0.02 0.00 0.00 175.26 177.62 1fhb n LYS 22 N -3.14 1.57 0.00 1.61 5.02 -1.26 -3.53 118.16 118.43 1fhb n LYS 22 Ca 0.07 0.56 0.00 0.00 -2.02 0.00 0.00 58.31 56.92 1fhb n LYS 22 Cb 0.56 -2.40 0.00 0.00 -0.02 0.00 0.00 35.03 33.16 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 4.73 1.61 1.30 0.72 0.00 -1.26 -4.93 105.19 107.36 1fhb n GLY 23 Ca 0.28 0.09 0.08 0.00 0.00 0.00 0.00 46.02 46.47 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 -3.57 3.71 -0.02 0.00 -1.23 -4.62 105.19 99.46 1fhb n GLY 24 Ca 0.00 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.58 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 -4.63 4.40 -1.50 1.61 0.04 -1.26 -4.76 135.00 128.90 1fhb s PRO 25 Ca 0.00 1.85 -0.12 0.00 0.04 0.00 0.00 61.00 62.77 1fhb s PRO 25 Cb 0.00 -3.33 -0.02 0.00 0.04 0.00 0.00 34.50 31.19 1fhb s PRO 25 CO 0.00 -0.32 2.51 0.72 0.04 0.00 0.00 177.00 179.95 1fhb n HIS 26 N 4.01 3.01 0.00 0.56 8.25 -1.26 -4.49 115.22 125.29 1fhb n HIS 26 Ca 0.10 -2.97 0.00 0.00 -0.26 0.00 0.00 57.72 54.58 1fhb n HIS 26 Cb 0.45 -2.49 0.00 0.00 1.12 0.00 0.00 29.99 29.07 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 5.09 0.00 -0.10 -0.41 5.02 -1.26 -4.62 118.16 121.89 1fhb n LYS 27 Ca 0.62 0.12 -0.20 0.00 -2.02 0.00 0.00 58.31 56.84 1fhb n LYS 27 Cb 0.32 -0.99 -0.07 0.00 -0.02 0.00 0.00 35.03 34.28 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 -0.61 1.16 -3.02 -0.18 0.31 -0.67 -5.00 118.33 110.32 1fhb n VAL 28 Ca 0.00 -0.22 -0.21 0.00 -0.01 0.00 0.00 64.34 63.90 1fhb n VAL 28 Cb 0.00 -1.83 0.01 0.00 -0.91 0.00 0.00 33.84 31.12 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 -5.28 1.67 0.92 2.92 0.00 -0.20 -5.03 107.32 102.32 1fhb s GLY 29 Ca -0.28 -1.27 -0.15 0.00 0.00 0.00 0.00 44.72 43.02 1fhb s GLY 29 CO 0.35 -1.09 0.78 -1.55 0.00 0.00 0.00 173.10 171.58 1fhb n PRO 30 N -2.02 -2.75 -3.38 2.90 -0.04 -1.26 -4.40 135.00 124.05 1fhb n PRO 30 Ca 0.03 -1.25 -0.38 0.00 -0.04 0.00 0.00 63.50 61.86 1fhb n PRO 30 Cb 0.58 -1.21 -0.06 0.00 -0.04 0.00 0.00 33.50 32.77 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 -3.55 6.95 -0.24 3.54 3.84 -1.26 -4.10 114.94 120.11 1fhb s ASN 31 Ca 0.51 1.13 0.13 0.00 0.21 0.00 0.00 52.86 54.84 1fhb s ASN 31 Cb -0.05 -2.31 0.63 0.00 -0.55 0.00 0.00 41.25 38.97 1fhb s ASN 31 CO 0.40 0.29 1.58 0.18 -2.79 0.00 0.00 177.10 176.76 1fhb n LEU 32 N 1.72 4.81 -4.78 3.21 4.77 0.35 -4.93 117.00 122.15 1fhb n LEU 32 Ca -0.12 -3.18 -0.37 0.00 -0.03 0.00 0.00 56.01 52.32 1fhb n LEU 32 Cb 0.51 -0.64 -0.05 0.00 -2.33 0.00 0.00 43.42 40.92 1fhb n LEU 32 CO 0.40 0.79 0.72 -2.28 -1.33 0.00 0.00 177.39 175.69 1fhb s HIS 33 N -2.93 3.35 -1.59 -1.77 2.46 -1.25 -3.66 115.29 109.89 1fhb s HIS 33 Ca 0.48 1.67 -0.12 0.00 0.47 0.00 0.00 55.06 57.55 1fhb s HIS 33 Cb 0.39 -3.09 0.10 0.00 -0.13 0.00 0.00 32.58 29.85 1fhb s HIS 33 CO 0.10 -0.47 0.72 0.41 -2.47 0.00 0.00 174.74 173.03 1fhb n GLY 34 N 0.37 -0.39 0.13 1.59 0.00 0.58 -4.88 105.19 102.59 1fhb n GLY 34 Ca 0.04 0.15 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.70 0.87 -0.08 -0.61 6.09 -1.79 -3.32 117.51 116.96 1fhb h ILE 35 Ca -0.60 -2.40 -0.66 0.00 -1.37 0.00 0.00 64.86 59.82 1fhb h ILE 35 Cb 1.38 2.64 -0.00 0.00 0.47 0.00 0.00 36.82 41.31 1fhb h ILE 35 CO 0.72 0.79 2.60 0.49 -3.07 0.00 0.00 178.15 179.67 1fhb n PHE 36 N -3.72 2.84 0.00 2.19 3.01 -1.26 -3.12 117.46 117.41 1fhb n PHE 36 Ca -0.27 -2.37 0.00 0.00 1.01 0.00 0.00 57.45 55.81 1fhb n PHE 36 Cb 0.99 -2.20 0.00 0.00 -0.01 0.00 0.00 39.48 38.26 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 4.47 0.51 3.76 1.37 0.00 -1.26 -5.04 105.19 109.01 1fhb n GLY 37 Ca 0.50 0.02 -0.34 0.00 0.00 0.00 0.00 46.02 46.21 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 0.00 2.86 0.81 1.61 1.70 -1.18 -4.96 118.95 119.78 1fhb s ARG 38 Ca 0.00 1.51 -0.11 0.00 -0.47 0.00 0.00 55.73 56.65 1fhb s ARG 38 Cb 0.00 -1.95 0.09 0.00 -0.57 0.00 0.00 34.95 32.52 1fhb s ARG 38 CO 0.00 -1.22 1.17 -0.65 -1.08 0.00 0.00 175.30 173.51 1fhb s GLN 39 N -3.85 1.85 0.66 3.89 -0.21 -1.26 -4.22 119.66 116.52 1fhb s GLN 39 Ca 0.70 -0.03 -0.12 0.00 0.02 0.00 0.00 55.36 55.92 1fhb s GLN 39 Cb -0.23 -1.98 -0.01 0.00 1.00 0.00 0.00 33.01 31.79 1fhb s GLN 39 CO 0.38 -1.63 1.05 -1.54 -2.12 0.00 0.00 175.29 171.44 1fhb s SER 40 N -4.61 5.58 -1.44 5.90 1.04 0.20 -4.07 113.70 116.32 1fhb s SER 40 Ca 0.63 1.65 0.00 0.00 0.48 0.00 0.00 55.95 58.72 1fhb s SER 40 Cb -0.10 -2.50 0.00 0.00 0.10 0.00 0.00 66.02 63.52 1fhb s SER 40 CO 0.49 -1.31 0.00 0.61 0.98 0.00 0.00 173.24 174.01 1fhb n GLY 41 N -1.76 0.06 2.83 7.32 0.00 -1.26 -4.65 105.19 107.73 1fhb n GLY 41 Ca 0.08 -0.22 -0.00 0.00 0.00 0.00 0.00 46.02 45.88 1fhb n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fhb n GLN 42 N -2.54 1.71 -0.01 1.61 10.64 -1.26 -4.81 117.38 122.72 1fhb n GLN 42 Ca -0.19 -3.49 0.00 0.00 -1.83 0.00 0.00 57.00 51.49 1fhb n GLN 42 Cb 0.62 -1.59 0.00 0.00 -0.86 0.00 0.00 30.24 28.41 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 -0.59 0.00 -0.75 2.61 0.00 -1.26 -4.98 120.51 115.55 1fhb n ALA 43 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.22 1fhb n ALA 43 Cb 0.80 0.00 0.24 0.00 0.00 0.00 0.00 19.45 20.49 1fhb n ALA 43 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1fhb s GLU 44 N -0.80 -0.90 -0.90 0.00 2.12 -1.26 -4.84 118.70 112.12 1fhb s GLU 44 Ca 0.00 0.56 -0.09 0.00 0.36 0.00 0.00 54.97 55.80 1fhb s GLU 44 Cb 0.00 -1.58 -0.07 0.00 0.26 0.00 0.00 34.13 32.74 1fhb s GLU 44 CO 0.00 -3.63 2.08 0.41 -0.54 0.00 0.00 175.26 173.58 1fhb n GLY 45 N 0.19 3.05 3.99 -1.50 0.00 -1.26 -4.87 105.19 104.78 1fhb n GLY 45 Ca 0.05 -0.94 -0.21 0.00 0.00 0.00 0.00 46.02 44.92 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 3.70 2.48 -0.96 1.61 6.14 -1.26 -4.98 117.35 124.08 1fhb s TYR 46 Ca 0.43 -0.17 -0.23 0.00 0.64 0.00 0.00 57.07 57.75 1fhb s TYR 46 Cb 0.11 -2.71 -0.13 0.00 0.42 0.00 0.00 41.96 39.65 1fhb s TYR 46 CO -0.01 -1.01 1.92 -1.13 0.64 0.00 0.00 175.55 175.96 1fhb n SER 47 N -2.38 2.75 -1.98 4.32 3.41 -1.26 -4.90 113.62 113.59 1fhb n SER 47 Ca 0.10 -2.68 0.00 0.00 -0.26 0.00 0.00 58.87 56.03 1fhb n SER 47 Cb 0.60 -1.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.13 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 11.11 -3.18 -4.10 7.33 4.01 -1.26 -5.00 117.16 126.07 1fhb n TYR 48 Ca 0.47 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 58.07 1fhb n TYR 48 Cb 0.44 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.34 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 -0.11 0.46 0.18 -0.72 -4.23 -1.26 -5.03 115.64 104.93 1fhb s THR 49 Ca 0.00 -0.66 -0.16 0.00 -1.18 0.00 0.00 61.69 59.69 1fhb s THR 49 Cb 0.00 -0.47 0.14 0.00 1.34 0.00 0.00 72.50 73.51 1fhb s THR 49 CO 0.00 -0.15 1.65 -0.78 -0.54 0.00 0.00 174.62 174.80 1fhb h ASP 50 N 5.24 -0.51 -0.42 3.99 3.58 -2.00 -2.29 116.42 124.01 1fhb h ASP 50 Ca -0.32 0.15 0.08 0.00 0.42 0.00 0.00 57.03 57.37 1fhb h ASP 50 Cb 1.20 0.32 -0.08 0.00 1.72 0.00 0.00 39.33 42.49 1fhb h ASP 50 CO 0.45 -0.18 -0.09 0.00 -2.88 0.00 0.00 179.24 176.55 1fhb h ALA 51 N 1.43 0.30 -0.42 -0.78 0.00 -1.90 0.25 119.26 118.14 1fhb h ALA 51 Ca 0.23 0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.36 1fhb h ALA 51 Cb 0.38 0.30 -0.06 0.00 0.00 0.00 0.00 17.79 18.42 1fhb h ALA 51 CO -0.51 -0.44 0.09 -0.97 0.00 0.00 0.00 179.25 177.42 1fhb h ASN 52 N 0.02 0.03 0.23 0.00 -0.73 -1.62 0.21 115.58 113.71 1fhb h ASN 52 Ca 0.20 0.07 0.00 0.00 1.87 0.00 0.00 56.30 58.44 1fhb h ASN 52 Cb 0.31 0.09 -0.01 0.00 0.27 0.00 0.00 38.32 38.97 1fhb h ASN 52 CO -0.42 0.05 -0.20 0.40 -0.37 0.00 0.00 177.43 176.89 1fhb h ILE 53 N 0.23 0.57 0.00 2.57 2.04 -0.73 -1.22 117.51 120.96 1fhb h ILE 53 Ca 0.20 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.06 1fhb h ILE 53 Cb 0.24 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 1fhb h ILE 53 CO -0.26 0.00 0.00 0.11 0.00 0.00 0.00 178.15 178.00 1fhb h LYS 54 N -0.45 0.00 -0.80 2.37 1.57 -0.11 0.10 116.57 119.26 1fhb h LYS 54 Ca -0.01 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.21 1fhb h LYS 54 Cb 0.41 0.00 -0.36 0.00 0.08 0.00 0.00 32.23 32.36 1fhb h LYS 54 CO -0.03 0.00 -0.22 1.17 -0.57 0.00 0.00 179.45 179.80 1fhb n LYS 55 N -2.52 3.19 -1.50 3.15 3.00 0.69 -5.02 118.16 119.15 1fhb n LYS 55 Ca -0.02 -3.82 -0.30 0.00 -0.00 0.00 0.00 58.31 54.18 1fhb n LYS 55 Cb 0.07 -2.25 -0.19 0.00 0.00 0.00 0.00 35.03 32.66 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 -0.81 -0.60 -4.47 3.14 5.15 0.35 -4.85 115.26 113.17 1fhb n ASN 56 Ca 0.49 -0.27 -0.33 0.00 -0.60 0.00 0.00 54.58 53.87 1fhb n ASN 56 Cb 0.88 -0.74 -0.13 0.00 -0.53 0.00 0.00 39.78 39.26 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 4.28 3.36 -0.66 3.44 1.01 -1.26 -4.80 120.40 125.77 1fhb s VAL 57 Ca 1.32 -0.58 0.14 0.00 0.00 0.00 0.00 61.98 62.86 1fhb s VAL 57 Cb -0.99 -2.39 0.14 0.00 0.00 0.00 0.00 36.38 33.14 1fhb s VAL 57 CO 0.52 0.56 1.42 -0.11 0.00 0.00 0.00 175.10 177.49 1fhb n LEU 58 N 2.87 0.29 -3.76 3.92 -0.00 -1.26 0.62 117.00 119.68 1fhb n LEU 58 Ca -0.18 0.61 -0.23 0.00 -0.00 0.00 0.00 56.01 56.21 1fhb n LEU 58 Cb 0.53 -0.61 0.02 0.00 -0.00 0.00 0.00 43.42 43.36 1fhb n LEU 58 CO 0.29 -0.60 -0.08 0.79 -0.00 0.00 0.00 177.39 177.80 1fhb n TRP 59 N -1.87 -1.91 -1.25 1.96 5.03 -1.26 -4.07 117.44 114.08 1fhb n TRP 59 Ca 0.01 0.83 -0.29 0.00 3.03 0.00 0.00 57.50 61.08 1fhb n TRP 59 Cb 0.09 -4.25 0.18 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 -4.26 2.56 0.14 -0.99 -4.77 -1.26 -4.34 116.67 103.74 1fhb s ASP 60 Ca 0.07 1.04 -0.18 0.00 -3.30 0.00 0.00 52.55 50.18 1fhb s ASP 60 Cb -0.04 -1.62 -0.02 0.00 -1.09 0.00 0.00 42.92 40.15 1fhb s ASP 60 CO 0.83 -3.15 1.77 -0.08 0.70 0.00 0.00 175.17 175.23 1fhb h GLU 61 N -1.91 0.43 0.12 2.11 4.22 -1.97 0.06 114.58 117.63 1fhb h GLU 61 Ca -0.53 -0.03 0.02 0.00 0.08 0.00 0.00 59.36 58.90 1fhb h GLU 61 Cb 1.33 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.45 1fhb h GLU 61 CO 0.56 0.31 -0.26 -0.97 -2.18 0.00 0.00 179.01 176.47 1fhb h ASN 62 N 0.41 -0.75 -0.22 1.04 -1.24 -1.98 0.28 115.58 113.13 1fhb h ASN 62 Ca 0.11 0.09 -0.03 0.00 0.71 0.00 0.00 56.30 57.18 1fhb h ASN 62 Cb -0.01 0.28 -0.01 0.00 0.73 0.00 0.00 38.32 39.32 1fhb h ASN 62 CO -0.02 -0.35 0.02 0.78 -1.29 0.00 0.00 177.43 176.56 1fhb h ASN 63 N -0.47 0.36 -0.86 1.15 4.21 -1.93 -1.54 115.58 116.49 1fhb h ASN 63 Ca 0.03 -0.28 -0.01 0.00 1.21 0.00 0.00 56.30 57.25 1fhb h ASN 63 Cb 0.50 -0.10 -0.04 0.00 -1.12 0.00 0.00 38.32 37.56 1fhb h ASN 63 CO -0.15 0.56 0.50 -0.03 -1.29 0.00 0.00 177.43 177.02 1fhb h MET 64 N 0.15 1.19 0.21 0.81 4.05 -0.85 -0.46 114.93 120.04 1fhb h MET 64 Ca 0.06 -0.12 0.01 0.00 -0.28 0.00 0.00 59.70 59.38 1fhb h MET 64 Cb 0.36 -0.24 -0.03 0.00 -0.80 0.00 0.00 31.60 30.88 1fhb h MET 64 CO 0.01 0.85 -0.34 1.03 0.23 0.00 0.00 176.91 178.68 1fhb h SER 65 N 1.21 -0.97 -0.29 1.39 0.87 -0.12 0.21 113.55 115.86 1fhb h SER 65 Ca 0.31 0.10 0.02 0.00 -1.23 0.00 0.00 61.79 60.99 1fhb h SER 65 Cb -0.02 0.35 -0.03 0.00 -0.44 0.00 0.00 62.40 62.27 1fhb h SER 65 CO -0.05 -0.45 0.12 -0.08 -0.53 0.00 0.00 176.83 175.84 1fhb h GLU 66 N -0.63 0.26 -0.74 2.24 4.57 -0.89 0.12 114.58 119.51 1fhb h GLU 66 Ca 0.01 -0.02 0.16 0.00 -1.18 0.00 0.00 59.36 58.33 1fhb h GLU 66 Cb 0.62 -0.06 -0.11 0.00 -0.16 0.00 0.00 28.75 29.04 1fhb h GLU 66 CO -0.15 0.17 0.19 -0.92 -1.18 0.00 0.00 179.01 177.13 1fhb h TYR 67 N 0.27 0.30 -0.06 0.92 3.20 -0.91 0.08 116.97 120.77 1fhb h TYR 67 Ca 0.12 0.04 -0.10 0.00 3.14 0.00 0.00 58.73 61.94 1fhb h TYR 67 Cb 0.06 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 1fhb h TYR 67 CO -0.11 -0.07 -0.41 -0.07 -1.64 0.00 0.00 178.16 175.86 1fhb h LEU 68 N 0.29 0.13 -0.72 2.82 4.07 0.13 0.94 115.31 122.96 1fhb h LEU 68 Ca 0.41 -0.05 -0.12 0.00 0.08 0.00 0.00 57.88 58.20 1fhb h LEU 68 Cb 0.70 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.39 1fhb h LEU 68 CO -0.50 0.53 -0.33 0.71 -1.08 0.00 0.00 178.44 177.78 1fhb h THR 69 N 0.10 1.29 -1.08 0.22 1.35 0.42 0.22 112.91 115.43 1fhb h THR 69 Ca 0.01 -1.45 -0.04 0.00 -0.55 0.00 0.00 66.41 64.37 1fhb h THR 69 Cb 0.78 1.42 -0.21 0.00 -1.73 0.00 0.00 68.15 68.41 1fhb h THR 69 CO 0.06 0.47 -0.44 0.54 -0.25 0.00 0.00 175.52 175.90 1fhb s ASN 70 N -6.82 -1.35 0.00 5.36 6.03 -0.11 -4.36 114.94 113.69 1fhb s ASN 70 Ca -0.08 -0.39 0.00 0.00 -1.03 0.00 0.00 52.86 51.36 1fhb s ASN 70 Cb 0.13 1.88 0.00 0.00 -3.03 0.00 0.00 41.25 40.23 1fhb s ASN 70 CO 0.82 -0.24 0.23 -0.81 -2.03 0.00 0.00 177.10 175.08 1fhb n PRO 71 N 4.88 0.38 0.00 3.55 -0.04 0.29 -2.13 135.00 141.93 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 0.55 -1.22 0.00 0.00 -0.04 0.00 0.00 33.50 32.79 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 0.43 0.00 -0.10 0.54 4.81 -1.26 -0.44 118.16 122.14 1fhb n LYS 73 Ca 0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.32 1fhb n LYS 73 Cb 0.12 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.17 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 1.05 -3.45 5.64 3.20 -1.77 -3.36 116.97 118.29 1fhb h TYR 74 Ca 0.00 -0.32 -0.70 0.00 3.14 0.00 0.00 58.73 60.85 1fhb h TYR 74 Cb 0.00 -0.22 -0.33 0.00 1.54 0.00 0.00 36.73 37.71 1fhb h TYR 74 CO 0.00 1.13 -0.51 0.42 -1.64 0.00 0.00 178.16 177.56 1fhb s ILE 75 N -4.36 3.49 -1.29 1.81 -1.09 0.42 -5.02 121.20 115.16 1fhb s ILE 75 Ca -0.10 -2.03 -0.16 0.00 -2.23 0.00 0.00 60.65 56.13 1fhb s ILE 75 Cb 0.11 -3.37 -0.01 0.00 -1.58 0.00 0.00 42.46 37.61 1fhb s ILE 75 CO 0.87 -0.72 2.18 -0.81 -1.23 0.00 0.00 174.94 175.24 1fhb n PRO 76 N 4.63 2.54 0.00 2.79 -0.04 -1.26 -3.85 135.00 139.81 1fhb n PRO 76 Ca -0.03 -2.39 0.00 0.00 -0.04 0.00 0.00 63.50 61.04 1fhb n PRO 76 Cb 0.41 -3.17 0.00 0.00 -0.04 0.00 0.00 33.50 30.70 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 4.18 -0.60 2.96 0.55 0.00 -1.26 -4.87 105.19 106.14 1fhb n GLY 77 Ca 0.52 0.24 -0.11 0.00 0.00 0.00 0.00 46.02 46.68 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 0.05 -0.86 2.61 -1.32 -1.25 -4.25 115.64 110.62 1fhb s THR 78 Ca 0.00 -0.41 0.23 0.00 -1.21 0.00 0.00 61.69 60.30 1fhb s THR 78 Cb 0.00 -0.17 0.21 0.00 -1.51 0.00 0.00 72.50 71.03 1fhb s THR 78 CO 0.00 -0.23 1.72 1.17 -2.21 0.00 0.00 174.62 175.08 1fhb n LYS 79 N 2.34 0.08 -1.57 7.08 4.81 -1.26 -4.76 118.16 124.89 1fhb n LYS 79 Ca -0.18 0.19 -0.20 0.00 -0.87 0.00 0.00 58.31 57.26 1fhb n LYS 79 Cb 0.58 -1.62 -0.11 0.00 0.02 0.00 0.00 35.03 33.89 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 -1.60 0.60 -0.93 3.14 0.00 -1.26 -4.82 120.51 115.64 1fhb n ALA 80 Ca 0.05 -2.44 -0.29 0.00 0.00 0.00 0.00 53.44 50.76 1fhb n ALA 80 Cb 0.29 -3.41 -0.03 0.00 0.00 0.00 0.00 19.45 16.30 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 17.89 4.67 -2.50 0.00 0.00 -1.26 -4.87 120.51 134.44 1fhb n ALA 81 Ca 0.42 -2.51 -0.33 0.00 0.00 0.00 0.00 53.44 51.02 1fhb n ALA 81 Cb 0.46 -3.20 -0.13 0.00 0.00 0.00 0.00 19.45 16.58 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 3.66 2.73 0.17 0.00 5.36 -1.26 -5.05 117.98 123.59 1fhb s PHE 82 Ca 0.46 -0.14 0.13 0.00 -0.96 0.00 0.00 56.93 56.42 1fhb s PHE 82 Cb 0.12 -1.64 0.35 0.00 -0.34 0.00 0.00 43.02 41.50 1fhb s PHE 82 CO -0.00 0.20 1.58 0.78 -1.46 0.00 0.00 175.22 176.32 1fhb h GLY 83 N 5.35 0.00 0.00 13.12 0.00 -1.95 -3.44 103.07 116.16 1fhb h GLY 83 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1fhb h GLY 83 CO 0.51 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.66 1fhb n GLY 84 N 0.51 1.65 2.96 4.60 0.00 -1.26 -4.89 105.19 108.75 1fhb n GLY 84 Ca -0.00 -1.28 -0.42 0.00 0.00 0.00 0.00 46.02 44.31 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 5.84 -0.10 0.99 4.77 0.78 -4.73 117.00 124.55 1fhb n LEU 85 Ca 0.00 -3.79 0.11 0.00 -0.03 0.00 0.00 56.01 52.30 1fhb n LEU 85 Cb 0.00 -1.55 0.48 0.00 -2.33 0.00 0.00 43.42 40.02 1fhb n LEU 85 CO 0.00 0.53 1.19 0.11 -1.33 0.00 0.00 177.39 177.89 1fhb h LYS 86 N 6.78 0.45 -0.95 3.23 6.56 -1.82 -3.12 116.57 127.71 1fhb h LYS 86 Ca 0.51 -0.03 0.23 0.00 -1.06 0.00 0.00 60.65 60.30 1fhb h LYS 86 Cb 0.69 -0.10 -0.18 0.00 -0.57 0.00 0.00 32.23 32.07 1fhb h LYS 86 CO 1.83 0.30 -0.08 0.87 -2.06 0.00 0.00 179.45 180.30 1fhb h LYS 87 N 0.46 0.02 0.00 3.15 1.79 -1.99 -3.45 116.57 116.55 1fhb h LYS 87 Ca 0.28 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.75 1fhb h LYS 87 Cb 0.49 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.14 1fhb h LYS 87 CO -0.08 0.01 0.00 -1.91 -1.08 0.00 0.00 179.45 176.39 1fhb n GLU 88 N -5.52 0.00 0.17 3.15 2.13 -1.18 -4.60 120.64 114.80 1fhb n GLU 88 Ca 0.19 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.90 1fhb n GLU 88 Cb 0.61 -0.07 -0.06 0.00 0.27 0.00 0.00 31.44 32.20 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 -0.57 -0.72 5.31 1.79 -1.91 0.14 116.57 120.60 1fhb h LYS 89 Ca 0.00 0.04 0.13 0.00 -2.18 0.00 0.00 60.65 58.64 1fhb h LYS 89 Cb 0.00 0.13 -0.14 0.00 -1.58 0.00 0.00 32.23 30.65 1fhb h LYS 89 CO 0.00 -0.38 -0.27 -0.44 -1.08 0.00 0.00 179.45 177.28 1fhb h ASP 90 N -0.59 -0.97 -0.45 0.86 5.19 -1.95 0.40 116.42 118.90 1fhb h ASP 90 Ca -0.04 0.24 0.09 0.00 -0.62 0.00 0.00 57.03 56.70 1fhb h ASP 90 Cb 0.51 0.55 -0.08 0.00 0.18 0.00 0.00 39.33 40.49 1fhb h ASP 90 CO -0.03 -0.28 -0.09 -0.09 -3.12 0.00 0.00 179.24 175.63 1fhb h ARG 91 N -0.06 0.02 -0.59 3.56 2.43 -1.80 0.10 114.38 118.04 1fhb h ARG 91 Ca 0.31 -0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.41 1fhb h ARG 91 Cb 0.56 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.08 1fhb h ARG 91 CO -0.77 0.01 0.10 -0.91 -1.51 0.00 0.00 179.97 176.89 1fhb h ASN 92 N 0.02 0.93 0.50 -3.80 2.35 0.14 0.29 115.58 116.01 1fhb h ASN 92 Ca 0.22 -0.26 -0.01 0.00 -0.55 0.00 0.00 56.30 55.70 1fhb h ASN 92 Cb 0.34 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 1fhb h ASN 92 CO -0.45 0.95 -0.38 0.44 -1.65 0.00 0.00 177.43 176.34 1fhb h ASP 93 N 0.87 -0.99 0.20 5.81 3.32 -0.87 -0.67 116.42 124.09 1fhb h ASP 93 Ca 0.18 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.30 1fhb h ASP 93 Cb 0.42 0.31 -0.04 0.00 0.22 0.00 0.00 39.33 40.24 1fhb h ASP 93 CO 0.01 -0.56 -0.47 0.25 -1.72 0.00 0.00 179.24 176.76 1fhb h LEU 94 N -0.86 -1.37 -1.27 1.55 5.85 -0.57 -1.23 115.31 117.41 1fhb h LEU 94 Ca -0.05 0.14 0.05 0.00 0.84 0.00 0.00 57.88 58.86 1fhb h LEU 94 Cb 0.73 0.49 -0.05 0.00 0.37 0.00 0.00 40.66 42.20 1fhb h LEU 94 CO 0.01 -0.52 0.52 0.40 -0.34 0.00 0.00 178.44 178.51 1fhb h ILE 95 N -0.73 1.07 -0.05 4.05 2.04 -0.47 0.89 117.51 124.30 1fhb h ILE 95 Ca -0.02 -0.31 0.03 0.00 1.00 0.00 0.00 64.86 65.56 1fhb h ILE 95 Cb 0.70 0.08 -0.04 0.00 -0.74 0.00 0.00 36.82 36.82 1fhb h ILE 95 CO -0.20 0.17 -0.19 0.74 0.00 0.00 0.00 178.15 178.66 1fhb h THR 96 N 0.91 0.53 -0.17 -0.27 2.02 -0.58 0.21 112.91 115.57 1fhb h THR 96 Ca 0.34 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.56 1fhb h THR 96 Cb 0.17 0.53 -0.05 0.00 -1.74 0.00 0.00 68.15 67.06 1fhb h THR 96 CO -0.11 0.00 -0.16 0.22 0.37 0.00 0.00 175.52 175.84 1fhb h TYR 97 N -0.28 -0.40 -0.21 3.16 3.20 -0.00 -2.63 116.97 119.80 1fhb h TYR 97 Ca 0.07 0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.00 1fhb h TYR 97 Cb 0.38 0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.83 1fhb h TYR 97 CO -0.26 -0.23 0.04 -0.07 -1.64 0.00 0.00 178.16 176.00 1fhb h LEU 98 N -0.18 0.01 -0.57 2.82 3.38 -0.53 0.18 115.31 120.42 1fhb h LEU 98 Ca 0.11 0.03 0.12 0.00 0.09 0.00 0.00 57.88 58.23 1fhb h LEU 98 Cb 0.34 0.04 -0.11 0.00 0.09 0.00 0.00 40.66 41.02 1fhb h LEU 98 CO -0.27 0.04 -0.12 0.50 0.09 0.00 0.00 178.44 178.68 1fhb h LYS 99 N 0.13 0.02 0.21 1.13 3.64 -0.37 0.33 116.57 121.65 1fhb h LYS 99 Ca 0.10 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1fhb h LYS 99 Cb 0.09 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1fhb h LYS 99 CO -0.12 0.01 -0.10 -0.22 -2.27 0.00 0.00 179.45 176.75 1fhb h LYS 100 N 0.02 -0.27 0.00 1.90 3.11 -1.11 -3.28 116.57 116.95 1fhb h LYS 100 Ca 0.28 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 58.14 1fhb h LYS 100 Cb 0.43 0.06 0.00 0.00 -1.00 0.00 0.00 32.23 31.72 1fhb h LYS 100 CO -0.57 0.12 0.00 0.00 -2.81 0.00 0.00 179.45 176.19 1fhb h ALA 101 N -0.32 1.00 -0.96 5.00 0.00 -0.25 -0.12 119.26 123.60 1fhb h ALA 101 Ca -0.03 0.00 0.19 0.00 0.00 0.00 0.00 54.91 55.07 1fhb h ALA 101 Cb 0.51 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.22 1fhb h ALA 101 CO 0.05 0.00 0.61 1.03 0.00 0.00 0.00 179.25 180.94 1fhb h SER 102 N 0.00 0.63 -0.01 0.00 0.87 -0.40 -3.44 113.55 111.20 1fhb h SER 102 Ca 0.00 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1fhb h SER 102 Cb 0.01 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 61.92 1fhb h SER 102 CO 0.00 0.25 0.00 1.21 -0.53 0.00 0.00 176.83 177.76