#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 0.41 0.31 -2.82 2.12 -1.26 -5.15 118.70 112.32 1fhb s GLU -4 Ca 0.00 0.94 -0.28 0.00 0.36 0.00 0.00 54.97 55.99 1fhb s GLU -4 Cb 0.00 0.56 -0.09 0.00 0.26 0.00 0.00 34.13 34.85 1fhb s GLU -4 CO 0.00 -0.23 1.10 0.12 -0.54 0.00 0.00 175.26 175.71 1fhb s PHE -3 N 2.72 3.46 -0.01 5.30 2.19 -1.26 -5.07 117.98 125.31 1fhb s PHE -3 Ca 0.01 1.67 0.07 0.00 0.33 0.00 0.00 56.93 59.01 1fhb s PHE -3 Cb -0.10 -3.28 -0.02 0.00 -1.31 0.00 0.00 43.02 38.31 1fhb s PHE -3 CO -0.18 -0.67 -0.24 -1.59 1.83 0.00 0.00 175.22 174.37 1fhb s LYS -2 N -1.72 1.87 0.61 10.12 -2.85 -1.26 -5.11 119.74 121.39 1fhb s LYS -2 Ca 0.48 -0.87 -0.15 0.00 -1.00 0.00 0.00 55.97 54.43 1fhb s LYS -2 Cb -0.30 -1.83 -0.03 0.00 -2.06 0.00 0.00 37.83 33.60 1fhb s LYS -2 CO 0.39 0.50 1.05 0.00 0.10 0.00 0.00 175.35 177.39 1fhb s ALA -1 N -0.59 2.77 0.00 0.59 0.00 -1.26 -5.05 121.76 118.23 1fhb s ALA -1 Ca 0.09 0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.35 1fhb s ALA -1 Cb -0.09 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.83 1fhb s ALA -1 CO -0.00 -0.83 0.00 0.41 0.00 0.00 0.00 175.76 175.34 1fhb n GLY 1 N -1.29 1.32 3.93 0.00 0.00 -1.25 -5.04 105.19 102.84 1fhb n GLY 1 Ca 0.08 -1.23 -0.28 0.00 0.00 0.00 0.00 46.02 44.59 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 -1.00 6.39 -0.04 1.61 1.04 -1.26 -4.98 113.70 115.45 1fhb s SER 2 Ca 0.00 0.41 -0.24 0.00 0.48 0.00 0.00 55.95 56.60 1fhb s SER 2 Cb 0.00 -2.01 -0.24 0.00 0.10 0.00 0.00 66.02 63.87 1fhb s SER 2 CO 0.00 -0.04 1.03 0.00 0.98 0.00 0.00 173.24 175.22 1fhb h ALA 3 N 2.06 0.04 -3.49 5.32 0.00 -1.90 -3.34 119.26 117.95 1fhb h ALA 3 Ca -0.48 -0.48 -0.31 0.00 0.00 0.00 0.00 54.91 53.64 1fhb h ALA 3 Cb 1.19 0.02 0.14 0.00 0.00 0.00 0.00 17.79 19.14 1fhb h ALA 3 CO 0.68 0.12 0.21 1.63 0.00 0.00 0.00 179.25 181.90 1fhb n LYS 4 N -4.46 -1.73 0.00 0.00 5.02 -1.26 -4.13 118.16 111.59 1fhb n LYS 4 Ca -0.10 -1.44 0.00 0.00 -2.02 0.00 0.00 58.31 54.76 1fhb n LYS 4 Cb 0.53 -1.12 0.00 0.00 -0.02 0.00 0.00 35.03 34.42 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 -3.53 0.00 -0.27 1.97 4.81 -1.26 -4.26 118.16 115.62 1fhb n LYS 5 Ca 0.12 0.00 0.24 0.00 -0.87 0.00 0.00 58.31 57.80 1fhb n LYS 5 Cb 0.44 0.00 0.57 0.00 0.02 0.00 0.00 35.03 36.06 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 0.76 0.87 3.14 0.00 -1.76 -0.04 103.07 106.04 1fhb h GLY 6 Ca 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 1fhb h GLY 6 CO 0.00 -0.05 -0.23 0.00 0.00 0.00 0.00 176.54 176.26 1fhb h ALA 7 N 1.58 -0.55 -0.78 3.60 0.00 -1.74 0.14 119.26 121.52 1fhb h ALA 7 Ca 0.52 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.34 1fhb h ALA 7 Cb 1.51 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 19.55 1fhb h ALA 7 CO -0.17 -0.82 0.52 1.15 0.00 0.00 0.00 179.25 179.92 1fhb h THR 8 N -0.56 1.19 0.33 0.00 2.02 -1.44 0.53 112.91 114.99 1fhb h THR 8 Ca -0.03 -0.36 -0.02 0.00 0.77 0.00 0.00 66.41 66.77 1fhb h THR 8 Cb 0.47 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.93 1fhb h THR 8 CO 0.03 0.19 -0.16 -0.07 0.37 0.00 0.00 175.52 175.88 1fhb h LEU 9 N 1.05 -0.37 -0.47 2.58 -0.00 -0.93 0.66 115.31 117.83 1fhb h LEU 9 Ca 0.29 0.00 0.10 0.00 -0.00 0.00 0.00 57.88 58.27 1fhb h LEU 9 Cb -0.11 0.10 -0.10 0.00 -0.00 0.00 0.00 40.66 40.55 1fhb h LEU 9 CO -0.07 -0.26 -0.21 0.15 -0.00 0.00 0.00 178.44 178.06 1fhb h PHE 10 N -0.45 -0.53 -0.68 1.13 3.57 -0.36 0.78 116.94 120.40 1fhb h PHE 10 Ca -0.04 0.05 0.05 0.00 3.53 0.00 0.00 57.97 61.55 1fhb h PHE 10 Cb 0.34 0.30 -0.04 0.00 2.79 0.00 0.00 35.95 39.35 1fhb h PHE 10 CO -0.05 -0.29 0.45 0.87 -2.23 0.00 0.00 178.31 177.05 1fhb h LYS 11 N -0.11 0.74 -0.68 1.11 1.57 -0.42 0.29 116.57 119.06 1fhb h LYS 11 Ca 0.22 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1fhb h LYS 11 Cb 0.45 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1fhb h LYS 11 CO -0.54 0.49 0.00 0.25 -0.57 0.00 0.00 179.45 179.08 1fhb n THR 12 N -4.47 0.92 0.11 -0.16 -2.24 0.18 -4.46 114.28 104.16 1fhb n THR 12 Ca 0.09 -0.91 0.00 0.00 -2.27 0.00 0.00 64.05 60.96 1fhb n THR 12 Cb 0.18 0.45 0.00 0.00 -2.10 0.00 0.00 70.33 68.86 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 1.50 0.00 -0.05 -0.78 1.74 0.15 -5.00 116.66 114.22 1fhb n ARG 13 Ca 0.23 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 57.09 1fhb n ARG 13 Cb 0.58 -0.11 -0.13 0.00 -1.02 0.00 0.00 32.46 31.78 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 -0.40 0.42 -0.67 0.00 6.46 -1.41 0.18 115.31 119.90 1fhb h LEU 15 Ca -0.41 0.09 0.08 0.00 -0.12 0.00 0.00 57.88 57.52 1fhb h LEU 15 Cb 1.72 0.03 -0.09 0.00 -0.73 0.00 0.00 40.66 41.59 1fhb h LEU 15 CO -0.06 0.04 -0.34 1.67 -0.62 0.00 0.00 178.44 179.13 1fhb n GLN 16 N -4.65 -0.24 -0.06 1.25 7.27 -1.26 -3.51 117.38 116.18 1fhb n GLN 16 Ca 0.27 1.02 -0.06 0.00 0.07 0.00 0.00 57.00 58.30 1fhb n GLN 16 Cb 0.96 -1.51 -0.09 0.00 2.41 0.00 0.00 30.24 32.00 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 -2.29 1.54 0.06 0.00 3.76 -0.11 -1.07 115.29 117.19 1fhb s HIS 18 Ca -0.07 -0.84 0.01 0.00 -0.15 0.00 0.00 55.06 54.01 1fhb s HIS 18 Cb 0.04 -1.95 -0.04 0.00 1.11 0.00 0.00 32.58 31.74 1fhb s HIS 18 CO 0.48 -0.60 -0.05 0.95 -0.85 0.00 0.00 174.74 174.67 1fhb s THR 19 N -2.77 0.43 -0.03 1.30 -4.23 -1.26 -4.46 115.64 104.62 1fhb s THR 19 Ca 0.37 -1.64 0.01 0.00 -1.18 0.00 0.00 61.69 59.25 1fhb s THR 19 Cb -0.03 -1.29 -0.01 0.00 1.34 0.00 0.00 72.50 72.52 1fhb s THR 19 CO 0.23 -0.80 0.03 0.55 -0.54 0.00 0.00 174.62 174.09 1fhb n VAL 20 N 0.44 0.00 -1.27 2.29 3.14 -1.26 -0.87 118.33 120.80 1fhb n VAL 20 Ca -0.16 -0.46 -0.31 0.00 -2.96 0.00 0.00 64.34 60.45 1fhb n VAL 20 Cb 0.59 0.97 0.09 0.00 -1.06 0.00 0.00 33.84 34.43 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 -1.12 2.27 -0.23 1.45 -1.05 -1.26 -4.16 118.70 114.60 1fhb s GLU 21 Ca 0.00 1.17 -0.37 0.00 -0.15 0.00 0.00 54.97 55.62 1fhb s GLU 21 Cb 0.00 -1.90 -0.14 0.00 -0.44 0.00 0.00 34.13 31.66 1fhb s GLU 21 CO 0.03 -1.63 1.88 1.63 0.95 0.00 0.00 175.26 178.11 1fhb n LYS 22 N -3.50 1.48 0.00 -4.83 5.02 -1.26 -3.62 118.16 111.45 1fhb n LYS 22 Ca 0.09 0.52 0.00 0.00 -2.02 0.00 0.00 58.31 56.90 1fhb n LYS 22 Cb 0.53 -2.35 0.00 0.00 -0.02 0.00 0.00 35.03 33.19 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 4.72 1.72 1.44 0.72 0.00 -1.26 -4.94 105.19 107.58 1fhb n GLY 23 Ca 0.28 0.03 0.17 0.00 0.00 0.00 0.00 46.02 46.51 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 -2.98 3.72 -0.02 0.00 -1.24 -4.59 105.19 100.07 1fhb n GLY 24 Ca 0.00 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.60 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 -3.96 4.45 -1.47 1.61 0.04 -1.26 -4.82 135.00 129.59 1fhb s PRO 25 Ca 0.00 1.75 -0.13 0.00 0.04 0.00 0.00 61.00 62.65 1fhb s PRO 25 Cb 0.00 -3.35 0.03 0.00 0.04 0.00 0.00 34.50 31.22 1fhb s PRO 25 CO 0.00 -0.21 2.32 0.72 0.04 0.00 0.00 177.00 179.86 1fhb n HIS 26 N 3.76 3.34 0.00 0.56 8.25 -1.26 -4.41 115.22 125.46 1fhb n HIS 26 Ca 0.08 -2.98 0.00 0.00 -0.26 0.00 0.00 57.72 54.56 1fhb n HIS 26 Cb 0.47 -2.51 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 5.57 0.00 -0.12 -0.41 5.02 -1.26 -4.62 118.16 122.34 1fhb n LYS 27 Ca 0.55 0.07 -0.25 0.00 -2.02 0.00 0.00 58.31 56.66 1fhb n LYS 27 Cb 0.36 -0.96 -0.09 0.00 -0.02 0.00 0.00 35.03 34.33 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 -0.53 1.30 -2.71 -0.18 0.31 -0.43 -5.01 118.33 111.08 1fhb n VAL 28 Ca 0.00 -0.34 -0.21 0.00 -0.01 0.00 0.00 64.34 63.78 1fhb n VAL 28 Cb 0.00 -1.79 0.05 0.00 -0.91 0.00 0.00 33.84 31.18 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 -5.47 1.83 1.16 2.92 0.00 -0.23 -5.02 107.32 102.51 1fhb s GLY 29 Ca -0.33 -1.50 -0.19 0.00 0.00 0.00 0.00 44.72 42.69 1fhb s GLY 29 CO 0.42 -1.17 0.87 -1.55 0.00 0.00 0.00 173.10 171.66 1fhb n PRO 30 N -2.34 -3.59 -3.43 2.90 -0.04 -1.26 -4.40 135.00 122.83 1fhb n PRO 30 Ca 0.10 -1.41 -0.36 0.00 -0.04 0.00 0.00 63.50 61.79 1fhb n PRO 30 Cb 0.60 -1.52 -0.06 0.00 -0.04 0.00 0.00 33.50 32.48 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 -3.59 6.79 -0.00 3.54 3.84 -1.26 -4.07 114.94 120.18 1fhb s ASN 31 Ca 0.60 0.99 0.15 0.00 0.21 0.00 0.00 52.86 54.82 1fhb s ASN 31 Cb -0.08 -2.26 0.43 0.00 -0.55 0.00 0.00 41.25 38.79 1fhb s ASN 31 CO 0.48 0.16 1.36 0.18 -2.79 0.00 0.00 177.10 176.49 1fhb n LEU 32 N 1.02 3.30 -4.73 3.21 4.77 -0.05 -4.90 117.00 119.62 1fhb n LEU 32 Ca -0.07 -2.01 -0.42 0.00 -0.03 0.00 0.00 56.01 53.48 1fhb n LEU 32 Cb 0.52 -0.32 -0.03 0.00 -2.33 0.00 0.00 43.42 41.26 1fhb n LEU 32 CO 0.42 0.82 1.06 -2.28 -1.33 0.00 0.00 177.39 176.08 1fhb s HIS 33 N -1.01 3.19 -1.58 -1.77 2.46 -1.26 -2.25 115.29 113.08 1fhb s HIS 33 Ca 0.32 1.01 0.00 0.00 0.47 0.00 0.00 55.06 56.86 1fhb s HIS 33 Cb 0.17 -3.71 0.00 0.00 -0.13 0.00 0.00 32.58 28.91 1fhb s HIS 33 CO 0.22 -2.39 0.00 0.41 -2.47 0.00 0.00 174.74 170.51 1fhb n GLY 34 N 2.98 0.79 0.06 1.59 0.00 -1.02 -4.88 105.19 104.71 1fhb n GLY 34 Ca 0.09 -0.23 -0.13 0.00 0.00 0.00 0.00 46.02 45.76 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 1.11 -1.99 -0.61 6.09 -1.77 -3.34 117.51 117.01 1fhb h ILE 35 Ca -0.35 -0.43 -0.59 0.00 -1.37 0.00 0.00 64.86 62.12 1fhb h ILE 35 Cb 1.16 1.40 0.00 0.00 0.47 0.00 0.00 36.82 39.85 1fhb h ILE 35 CO 0.47 0.11 1.45 0.49 -3.07 0.00 0.00 178.15 177.61 1fhb n PHE 36 N -5.02 2.03 -1.84 2.19 3.72 -1.26 -0.87 117.46 116.41 1fhb n PHE 36 Ca -0.08 -0.15 -0.06 0.00 -0.05 0.00 0.00 57.45 57.12 1fhb n PHE 36 Cb 0.13 -2.73 -0.01 0.00 -0.94 0.00 0.00 39.48 35.93 1fhb n PHE 36 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1fhb n GLY 37 N 5.62 0.33 3.43 1.37 0.00 0.02 -5.02 105.19 110.93 1fhb n GLY 37 Ca 0.29 -0.70 -0.30 0.00 0.00 0.00 0.00 46.02 45.31 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 -3.78 1.95 0.96 1.61 1.81 -0.05 -5.04 118.95 116.43 1fhb s ARG 38 Ca 0.00 -1.04 -0.12 0.00 -1.72 0.00 0.00 55.73 52.84 1fhb s ARG 38 Cb 0.00 -2.12 0.17 0.00 -0.45 0.00 0.00 34.95 32.55 1fhb s ARG 38 CO 0.00 0.52 1.09 -0.65 -0.68 0.00 0.00 175.30 175.59 1fhb s GLN 39 N -1.46 0.70 0.76 3.54 -0.21 -1.26 -4.07 119.66 117.67 1fhb s GLN 39 Ca 0.14 0.66 -0.11 0.00 0.02 0.00 0.00 55.36 56.07 1fhb s GLN 39 Cb -0.10 -1.76 0.05 0.00 1.00 0.00 0.00 33.01 32.19 1fhb s GLN 39 CO 0.05 -2.58 1.08 -1.54 -2.12 0.00 0.00 175.29 170.18 1fhb s SER 40 N -3.39 4.74 -1.46 5.90 1.04 0.20 -4.17 113.70 116.56 1fhb s SER 40 Ca 0.65 1.69 -0.09 0.00 0.48 0.00 0.00 55.95 58.68 1fhb s SER 40 Cb -0.19 -2.45 0.04 0.00 0.10 0.00 0.00 66.02 63.52 1fhb s SER 40 CO 0.58 -1.86 0.85 0.61 0.98 0.00 0.00 173.24 174.39 1fhb n GLY 41 N -1.54 -0.52 2.75 7.32 0.00 -1.26 -4.68 105.19 107.25 1fhb n GLY 41 Ca 0.08 0.18 -0.05 0.00 0.00 0.00 0.00 46.02 46.23 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 -4.43 1.53 -0.30 1.61 10.64 -1.26 -4.83 117.38 120.35 1fhb n GLN 42 Ca -0.02 -3.42 0.00 0.00 -1.83 0.00 0.00 57.00 51.73 1fhb n GLN 42 Cb 0.57 -1.47 0.00 0.00 -0.86 0.00 0.00 30.24 28.47 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 -0.37 0.00 -1.20 2.61 0.00 -1.26 -5.01 120.51 115.28 1fhb n ALA 43 Ca 0.09 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.36 1fhb n ALA 43 Cb 0.81 0.00 0.21 0.00 0.00 0.00 0.00 19.45 20.47 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 -0.49 -2.50 -1.05 0.00 1.02 -1.26 -4.86 120.64 111.50 1fhb n GLU 44 Ca 0.00 -1.55 -0.32 0.00 -0.02 0.00 0.00 57.16 55.27 1fhb n GLU 44 Cb 0.00 -1.36 -0.02 0.00 -0.02 0.00 0.00 31.44 30.04 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 -3.47 3.46 3.97 0.62 0.00 -1.26 -4.88 105.19 103.63 1fhb n GLY 45 Ca 0.13 -1.16 -0.21 0.00 0.00 0.00 0.00 46.02 44.78 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 3.31 2.78 -1.03 1.61 6.14 -1.26 -4.98 117.35 123.92 1fhb s TYR 46 Ca 0.51 -0.03 -0.23 0.00 0.64 0.00 0.00 57.07 57.96 1fhb s TYR 46 Cb 0.13 -2.77 -0.13 0.00 0.42 0.00 0.00 41.96 39.61 1fhb s TYR 46 CO -0.02 -0.93 1.93 -1.13 0.64 0.00 0.00 175.55 176.04 1fhb n SER 47 N -2.38 2.71 -2.56 4.32 3.41 -1.26 -4.91 113.62 112.95 1fhb n SER 47 Ca 0.08 -2.67 -0.07 0.00 -0.26 0.00 0.00 58.87 55.96 1fhb n SER 47 Cb 0.60 -1.55 0.04 0.00 -0.26 0.00 0.00 64.21 63.04 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 13.16 -3.65 -4.12 7.33 4.01 -1.26 -5.00 117.16 127.62 1fhb n TYR 48 Ca 0.46 -0.37 -0.15 0.00 -0.16 0.00 0.00 57.90 57.68 1fhb n TYR 48 Cb 0.45 -0.22 -0.14 0.00 -0.31 0.00 0.00 39.34 39.12 1fhb n TYR 48 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1fhb s THR 49 N -1.20 0.41 0.21 -0.72 -4.23 -1.26 -5.03 115.64 103.82 1fhb s THR 49 Ca 0.18 -0.39 -0.14 0.00 -1.18 0.00 0.00 61.69 60.15 1fhb s THR 49 Cb -0.01 -0.38 0.25 0.00 1.34 0.00 0.00 72.50 73.70 1fhb s THR 49 CO 0.12 -0.00 1.40 -0.67 -0.54 0.00 0.00 174.62 174.93 1fhb n ASP 50 N 2.64 -0.54 0.22 3.99 2.03 -1.26 -1.03 116.55 122.60 1fhb n ASP 50 Ca -0.15 1.57 -0.15 0.00 0.52 0.00 0.00 54.79 56.58 1fhb n ASP 50 Cb 0.58 -0.38 -0.07 0.00 -0.72 0.00 0.00 41.12 40.52 1fhb n ASP 50 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1fhb h ALA 51 N 1.33 -0.60 -0.24 -1.67 0.00 -1.87 -0.38 119.26 115.82 1fhb h ALA 51 Ca 0.33 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.18 1fhb h ALA 51 Cb 0.56 0.34 -0.05 0.00 0.00 0.00 0.00 17.79 18.64 1fhb h ALA 51 CO -0.90 -0.86 -0.05 -0.97 0.00 0.00 0.00 179.25 176.47 1fhb h ASN 52 N -0.61 -0.21 -0.03 0.00 -0.73 -1.55 0.97 115.58 113.41 1fhb h ASN 52 Ca -0.03 0.07 0.03 0.00 1.87 0.00 0.00 56.30 58.24 1fhb h ASN 52 Cb 0.52 0.14 -0.06 0.00 0.27 0.00 0.00 38.32 39.20 1fhb h ASN 52 CO 0.01 -0.07 -0.37 0.40 -0.37 0.00 0.00 177.43 177.02 1fhb h ILE 53 N 0.01 0.22 0.00 2.57 2.04 -0.89 -0.24 117.51 121.22 1fhb h ILE 53 Ca 0.12 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.97 1fhb h ILE 53 Cb 0.18 0.22 -0.00 0.00 -0.74 0.00 0.00 36.82 36.48 1fhb h ILE 53 CO -0.24 0.00 -0.02 0.11 0.00 0.00 0.00 178.15 177.99 1fhb h LYS 54 N -0.51 0.00 -1.43 2.37 1.57 -0.68 -1.79 116.57 116.10 1fhb h LYS 54 Ca 0.06 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.34 1fhb h LYS 54 Cb 0.61 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 32.71 1fhb h LYS 54 CO -0.31 0.02 0.63 1.17 -0.57 0.00 0.00 179.45 180.39 1fhb n LYS 55 N -3.22 2.27 -1.48 3.15 3.00 0.30 -4.93 118.16 117.25 1fhb n LYS 55 Ca -0.02 -2.42 -0.17 0.00 -0.00 0.00 0.00 58.31 55.70 1fhb n LYS 55 Cb 0.18 -1.97 -0.16 0.00 0.00 0.00 0.00 35.03 33.08 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 -0.10 -0.45 -4.45 3.14 5.15 -0.67 -4.76 115.26 113.12 1fhb n ASN 56 Ca 0.46 -0.99 -0.33 0.00 -0.60 0.00 0.00 54.58 53.12 1fhb n ASN 56 Cb 0.58 -0.92 -0.13 0.00 -0.53 0.00 0.00 39.78 38.78 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 5.10 3.40 0.64 3.44 1.01 -1.26 -4.84 120.40 127.89 1fhb s VAL 57 Ca 1.07 -0.55 0.42 0.00 0.00 0.00 0.00 61.98 62.92 1fhb s VAL 57 Cb -0.53 -2.44 0.43 0.00 0.00 0.00 0.00 36.38 33.84 1fhb s VAL 57 CO 0.36 0.53 2.35 0.25 0.00 0.00 0.00 175.10 178.59 1fhb h LEU 58 N 6.40 0.00 -2.63 3.92 6.46 -1.91 0.57 115.31 128.13 1fhb h LEU 58 Ca -0.32 0.00 -0.10 0.00 -0.12 0.00 0.00 57.88 57.34 1fhb h LEU 58 Cb 1.20 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.13 1fhb h LEU 58 CO 0.57 0.00 -0.49 0.79 -0.62 0.00 0.00 178.44 178.69 1fhb n TRP 59 N -3.21 -3.07 -2.85 1.25 5.03 -1.26 -3.10 117.44 110.23 1fhb n TRP 59 Ca -0.03 1.22 -0.19 0.00 3.03 0.00 0.00 57.50 61.54 1fhb n TRP 59 Cb 0.08 -3.66 0.03 0.00 -1.03 0.00 0.00 31.31 26.72 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 -2.63 5.43 0.35 -0.99 -4.77 -1.26 -0.80 116.67 112.00 1fhb s ASP 60 Ca 0.16 -0.28 0.05 0.00 -3.30 0.00 0.00 52.55 49.18 1fhb s ASP 60 Cb -0.04 -0.67 0.64 0.00 -1.09 0.00 0.00 42.92 41.77 1fhb s ASP 60 CO 0.79 -0.98 1.89 -0.33 0.70 0.00 0.00 175.17 177.24 1fhb h GLU 61 N 0.35 0.49 -0.04 2.11 5.08 -1.98 -0.22 114.58 120.37 1fhb h GLU 61 Ca -0.40 -0.10 -0.16 0.00 -1.00 0.00 0.00 59.36 57.70 1fhb h GLU 61 Cb 1.29 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 30.47 1fhb h GLU 61 CO 0.47 0.52 -0.58 -0.97 -1.00 0.00 0.00 179.01 177.45 1fhb h ASN 62 N 0.47 0.59 -0.26 1.42 -1.24 -1.99 -0.57 115.58 113.99 1fhb h ASN 62 Ca 0.10 -0.71 -0.00 0.00 0.71 0.00 0.00 56.30 56.40 1fhb h ASN 62 Cb 0.31 -0.18 -0.01 0.00 0.73 0.00 0.00 38.32 39.17 1fhb h ASN 62 CO 0.01 1.21 0.14 0.78 -1.29 0.00 0.00 177.43 178.28 1fhb h ASN 63 N 0.01 0.32 -0.81 1.15 2.35 -1.96 -2.97 115.58 113.67 1fhb h ASN 63 Ca -0.06 -0.08 0.14 0.00 -0.55 0.00 0.00 56.30 55.75 1fhb h ASN 63 Cb 1.26 -0.08 -0.09 0.00 0.05 0.00 0.00 38.32 39.46 1fhb h ASN 63 CO 0.12 0.31 0.39 -0.03 -1.65 0.00 0.00 177.43 176.57 1fhb h MET 64 N 0.31 0.55 -0.83 0.81 4.05 -0.91 0.76 114.93 119.67 1fhb h MET 64 Ca 0.09 -0.03 0.17 0.00 -0.28 0.00 0.00 59.70 59.65 1fhb h MET 64 Cb 0.06 -0.12 -0.06 0.00 -0.80 0.00 0.00 31.60 30.67 1fhb h MET 64 CO -0.02 0.36 0.55 0.77 0.23 0.00 0.00 176.91 178.81 1fhb h SER 65 N 0.57 0.44 0.00 1.39 0.02 -0.94 0.22 113.55 115.25 1fhb h SER 65 Ca 0.44 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.41 1fhb h SER 65 Cb 0.62 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.10 1fhb h SER 65 CO -0.37 0.21 -0.08 -0.08 -1.14 0.00 0.00 176.83 175.37 1fhb h GLU 66 N 0.46 0.00 -0.52 3.45 4.57 -0.90 -3.26 114.58 118.37 1fhb h GLU 66 Ca 0.42 0.00 0.09 0.00 -1.18 0.00 0.00 59.36 58.70 1fhb h GLU 66 Cb 0.95 0.00 -0.11 0.00 -0.16 0.00 0.00 28.75 29.44 1fhb h GLU 66 CO -0.16 0.69 -0.33 -0.92 -1.18 0.00 0.00 179.01 177.11 1fhb h TYR 67 N -1.00 -0.93 -0.99 0.92 3.20 -0.62 0.98 116.97 118.54 1fhb h TYR 67 Ca -0.02 0.07 0.04 0.00 3.14 0.00 0.00 58.73 61.96 1fhb h TYR 67 Cb 0.72 0.48 -0.06 0.00 1.54 0.00 0.00 36.73 39.41 1fhb h TYR 67 CO 0.18 -0.38 0.65 -0.07 -1.64 0.00 0.00 178.16 176.89 1fhb h LEU 68 N -0.19 1.07 -0.77 2.82 3.38 -1.14 0.58 115.31 121.06 1fhb h LEU 68 Ca 0.21 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.08 1fhb h LEU 68 Cb 0.55 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1fhb h LEU 68 CO -0.63 0.72 -0.46 0.71 0.09 0.00 0.00 178.44 178.87 1fhb h THR 69 N 1.23 1.02 -0.92 0.22 1.35 -1.18 0.56 112.91 115.20 1fhb h THR 69 Ca 0.40 -1.79 -0.36 0.00 -0.55 0.00 0.00 66.41 64.11 1fhb h THR 69 Cb 0.04 2.06 -0.25 0.00 -1.73 0.00 0.00 68.15 68.27 1fhb h THR 69 CO -0.13 0.45 -0.75 -3.20 -0.25 0.00 0.00 175.52 171.64 1fhb n ASN 70 N -3.55 -1.65 -0.95 5.36 4.05 0.19 -3.89 115.26 114.82 1fhb n ASN 70 Ca -0.00 -3.01 0.00 0.00 0.45 0.00 0.00 54.58 52.01 1fhb n ASN 70 Cb 0.57 0.78 0.00 0.00 1.23 0.00 0.00 39.78 42.36 1fhb n ASN 70 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 1fhb n PRO 71 N 1.67 0.37 0.00 1.20 -0.04 0.11 -0.91 135.00 137.40 1fhb n PRO 71 Ca 0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 1fhb n PRO 71 Cb 0.58 -1.30 0.00 0.00 -0.04 0.00 0.00 33.50 32.74 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 0.77 0.00 -0.24 0.54 4.81 -1.26 -0.73 118.16 122.05 1fhb n LYS 73 Ca 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.41 1fhb n LYS 73 Cb 0.18 0.00 0.08 0.00 0.02 0.00 0.00 35.03 35.30 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 0.78 -3.66 5.64 5.03 -1.37 -3.35 116.97 120.04 1fhb h TYR 74 Ca 0.00 0.02 -0.67 0.00 2.58 0.00 0.00 58.73 60.66 1fhb h TYR 74 Cb 0.00 -0.25 -0.22 0.00 1.55 0.00 0.00 36.73 37.80 1fhb h TYR 74 CO 0.00 0.44 -0.56 0.42 -1.32 0.00 0.00 178.16 177.14 1fhb s ILE 75 N -6.12 4.62 -1.60 1.81 -1.09 0.09 -5.01 121.20 113.89 1fhb s ILE 75 Ca -0.13 -0.39 -0.11 0.00 -2.23 0.00 0.00 60.65 57.79 1fhb s ILE 75 Cb 0.15 -3.34 -0.07 0.00 -1.58 0.00 0.00 42.46 37.62 1fhb s ILE 75 CO 0.76 0.08 2.86 -0.81 -1.23 0.00 0.00 174.94 176.61 1fhb n PRO 76 N 4.98 3.59 0.00 2.79 -0.04 -1.26 -3.90 135.00 141.17 1fhb n PRO 76 Ca -0.14 -2.26 0.00 0.00 -0.04 0.00 0.00 63.50 61.06 1fhb n PRO 76 Cb 0.49 -2.87 0.00 0.00 -0.04 0.00 0.00 33.50 31.08 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 3.65 0.16 3.20 0.55 0.00 -1.26 -4.79 105.19 106.70 1fhb n GLY 77 Ca 0.75 -0.13 -0.23 0.00 0.00 0.00 0.00 46.02 46.42 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 1.40 0.31 2.61 -1.32 -1.25 -4.17 115.64 113.22 1fhb s THR 78 Ca 0.00 -1.09 0.31 0.00 -1.21 0.00 0.00 61.69 59.71 1fhb s THR 78 Cb 0.00 -1.24 0.34 0.00 -1.51 0.00 0.00 72.50 70.09 1fhb s THR 78 CO 0.00 0.12 2.05 0.50 -2.21 0.00 0.00 174.62 175.08 1fhb h LYS 79 N 4.93 0.00 -6.55 7.08 3.64 -1.96 -3.47 116.57 120.24 1fhb h LYS 79 Ca -0.40 0.00 -0.58 0.00 -1.27 0.00 0.00 60.65 58.40 1fhb h LYS 79 Cb 1.17 0.00 0.07 0.00 -0.41 0.00 0.00 32.23 33.06 1fhb h LYS 79 CO 0.44 0.08 0.75 0.00 -2.27 0.00 0.00 179.45 178.45 1fhb n ALA 80 N -2.18 1.38 -2.87 5.00 0.00 -1.26 -4.97 120.51 115.61 1fhb n ALA 80 Ca -0.01 0.43 -0.02 0.00 0.00 0.00 0.00 53.44 53.84 1fhb n ALA 80 Cb 0.27 -2.34 0.01 0.00 0.00 0.00 0.00 19.45 17.39 1fhb n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fhb s ALA 81 N 0.56 -2.52 0.00 0.00 0.00 -1.26 -4.99 121.76 113.55 1fhb s ALA 81 Ca 0.75 -0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.63 1fhb s ALA 81 Cb -0.66 -2.76 0.00 0.00 0.00 0.00 0.00 23.12 19.70 1fhb s ALA 81 CO 0.42 -2.27 0.24 1.97 0.00 0.00 0.00 175.76 176.11 1fhb n PHE 82 N 3.33 0.00 -0.23 0.00 -1.74 -1.26 -5.07 117.46 112.49 1fhb n PHE 82 Ca 0.15 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.04 1fhb n PHE 82 Cb 0.57 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.57 1fhb n PHE 82 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1fhb n GLY 83 N 0.48 -0.37 3.52 4.97 0.00 -1.26 -5.02 105.19 107.51 1fhb n GLY 83 Ca 0.00 -0.73 -0.58 0.00 0.00 0.00 0.00 46.02 44.70 1fhb n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fhb n GLY 84 N 0.58 -0.14 3.65 -0.02 0.00 -1.26 -4.84 105.19 103.15 1fhb n GLY 84 Ca 0.00 0.76 -0.39 0.00 0.00 0.00 0.00 46.02 46.40 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 1.78 4.02 0.00 0.99 4.77 0.19 -4.88 117.00 123.86 1fhb n LEU 85 Ca 0.20 0.91 0.00 0.00 -0.03 0.00 0.00 56.01 57.09 1fhb n LEU 85 Cb 0.09 -1.44 0.00 0.00 -2.33 0.00 0.00 43.42 39.74 1fhb n LEU 85 CO 0.62 -1.40 -0.06 0.29 -1.33 0.00 0.00 177.39 175.52 1fhb n LYS 86 N -0.77 2.54 -0.08 3.23 4.76 -1.26 -4.37 118.16 122.21 1fhb n LYS 86 Ca 0.12 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.46 1fhb n LYS 86 Cb 0.45 -0.56 -0.03 0.00 -1.84 0.00 0.00 35.03 33.05 1fhb n LYS 86 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 1fhb h LYS 87 N 0.00 0.37 0.00 1.97 6.56 -2.01 -3.46 116.57 120.00 1fhb h LYS 87 Ca 0.00 -0.06 0.00 0.00 -1.06 0.00 0.00 60.65 59.53 1fhb h LYS 87 Cb 0.06 -0.06 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 1fhb h LYS 87 CO 0.00 0.39 0.00 -1.91 -2.06 0.00 0.00 179.45 175.87 1fhb n GLU 88 N -4.80 0.00 -0.28 3.15 2.13 -1.26 -4.56 120.64 115.01 1fhb n GLU 88 Ca -0.03 0.00 0.07 0.00 0.66 0.00 0.00 57.16 57.87 1fhb n GLU 88 Cb 0.11 -0.08 0.30 0.00 0.27 0.00 0.00 31.44 32.04 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 0.85 0.67 5.31 6.56 -2.01 -0.22 116.57 127.73 1fhb h LYS 89 Ca 0.00 -0.05 -0.03 0.00 -1.06 0.00 0.00 60.65 59.51 1fhb h LYS 89 Cb 0.00 -0.19 0.01 0.00 -0.57 0.00 0.00 32.23 31.47 1fhb h LYS 89 CO 0.00 0.56 -0.32 -0.44 -2.06 0.00 0.00 179.45 177.19 1fhb h ASP 90 N 0.88 -0.76 -0.62 0.86 5.19 -1.98 -3.35 116.42 116.63 1fhb h ASP 90 Ca 0.41 0.03 0.12 0.00 -0.62 0.00 0.00 57.03 56.97 1fhb h ASP 90 Cb 0.42 0.20 -0.12 0.00 0.18 0.00 0.00 39.33 40.01 1fhb h ASP 90 CO -0.18 -0.52 -0.20 -0.09 -3.12 0.00 0.00 179.24 175.13 1fhb h ARG 91 N -0.96 -0.04 -0.52 3.56 2.43 -1.46 0.25 114.38 117.64 1fhb h ARG 91 Ca -0.09 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.15 1fhb h ARG 91 Cb 0.69 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 30.19 1fhb h ARG 91 CO 0.15 -0.03 0.19 -2.95 -1.51 0.00 0.00 179.97 175.82 1fhb h ASN 92 N -0.04 0.20 0.11 -3.80 7.08 -1.35 0.18 115.58 117.96 1fhb h ASN 92 Ca 0.29 0.06 -0.01 0.00 -3.08 0.00 0.00 56.30 53.56 1fhb h ASN 92 Cb 0.49 0.04 0.00 0.00 -2.08 0.00 0.00 38.32 36.77 1fhb h ASN 92 CO -0.66 0.14 -0.05 0.44 -2.08 0.00 0.00 177.43 175.22 1fhb h ASP 93 N 0.37 -0.12 -0.30 6.14 3.32 -0.78 -2.04 116.42 123.01 1fhb h ASP 93 Ca 0.25 -0.34 0.05 0.00 0.02 0.00 0.00 57.03 57.01 1fhb h ASP 93 Cb 0.26 0.03 -0.08 0.00 0.22 0.00 0.00 39.33 39.77 1fhb h ASP 93 CO -0.25 0.29 -0.49 0.25 -1.72 0.00 0.00 179.24 177.33 1fhb h LEU 94 N -0.57 -1.59 -0.39 1.55 5.85 -0.59 0.13 115.31 119.71 1fhb h LEU 94 Ca -0.01 0.21 0.07 0.00 0.84 0.00 0.00 57.88 58.99 1fhb h LEU 94 Cb 0.46 0.66 -0.06 0.00 0.37 0.00 0.00 40.66 42.08 1fhb h LEU 94 CO 0.02 -0.42 0.02 0.40 -0.34 0.00 0.00 178.44 178.13 1fhb h ILE 95 N -0.43 0.73 -0.09 4.05 2.04 -0.67 0.16 117.51 123.29 1fhb h ILE 95 Ca 0.09 -0.04 0.03 0.00 1.00 0.00 0.00 64.86 65.94 1fhb h ILE 95 Cb 0.62 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 37.25 1fhb h ILE 95 CO -0.52 0.02 -0.13 0.74 0.00 0.00 0.00 178.15 178.26 1fhb h THR 96 N 0.13 0.64 -0.19 -0.27 2.02 -0.55 0.14 112.91 114.83 1fhb h THR 96 Ca 0.19 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.42 1fhb h THR 96 Cb 0.26 0.64 -0.05 0.00 -1.74 0.00 0.00 68.15 67.26 1fhb h THR 96 CO -0.30 0.00 -0.12 0.22 0.37 0.00 0.00 175.52 175.69 1fhb h TYR 97 N -0.18 -0.30 -0.13 3.16 3.20 -0.29 -1.24 116.97 121.19 1fhb h TYR 97 Ca 0.08 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.00 1fhb h TYR 97 Cb 0.29 0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.70 1fhb h TYR 97 CO -0.24 -0.19 -0.04 1.25 -1.64 0.00 0.00 178.16 177.31 1fhb h LEU 98 N -0.12 -0.14 -0.57 2.82 5.85 -0.00 0.19 115.31 123.33 1fhb h LEU 98 Ca 0.11 0.04 0.12 0.00 0.84 0.00 0.00 57.88 58.99 1fhb h LEU 98 Cb 0.28 0.09 -0.10 0.00 0.37 0.00 0.00 40.66 41.30 1fhb h LEU 98 CO -0.26 -0.05 -0.04 0.50 -0.34 0.00 0.00 178.44 178.24 1fhb h LYS 99 N -0.02 0.08 0.31 1.25 3.64 -0.53 0.36 116.57 121.66 1fhb h LYS 99 Ca 0.06 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1fhb h LYS 99 Cb 0.11 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1fhb h LYS 99 CO -0.14 0.05 -0.15 -0.22 -2.27 0.00 0.00 179.45 176.72 1fhb h LYS 100 N 0.08 -0.40 -0.10 1.90 3.11 -0.13 -3.01 116.57 118.02 1fhb h LYS 100 Ca 0.29 0.03 0.03 0.00 -2.81 0.00 0.00 60.65 58.19 1fhb h LYS 100 Cb 0.46 0.09 -0.00 0.00 -1.00 0.00 0.00 32.23 31.78 1fhb h LYS 100 CO -0.52 -0.12 0.15 0.00 -2.81 0.00 0.00 179.45 176.15 1fhb h ALA 101 N -0.07 1.57 -0.78 5.00 0.00 -0.25 0.12 119.26 124.85 1fhb h ALA 101 Ca -0.04 -0.00 0.18 0.00 0.00 0.00 0.00 54.91 55.04 1fhb h ALA 101 Cb 0.47 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 1fhb h ALA 101 CO 0.07 -0.20 0.53 1.03 0.00 0.00 0.00 179.25 180.68 1fhb h SER 102 N 0.00 0.28 -0.02 0.00 0.87 -0.14 -3.45 113.55 111.09 1fhb h SER 102 Ca 0.05 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1fhb h SER 102 Cb 0.34 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.27 1fhb h SER 102 CO -0.00 0.13 0.00 1.21 -0.53 0.00 0.00 176.83 177.64