#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fhq n ASN 574 N 0.00 1.23 0.00 1.61 5.15 -1.26 -4.80 115.26 117.19 1fhq n ASN 574 Ca 0.00 -1.70 0.00 0.00 -0.60 0.00 0.00 54.58 52.28 1fhq n ASN 574 Cb 0.00 -0.09 0.00 0.00 -0.53 0.00 0.00 39.78 39.16 1fhq n ASN 574 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1fhq n GLY 575 N 1.01 0.84 3.60 8.20 0.00 -1.26 -5.10 105.19 112.49 1fhq n GLY 575 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 1fhq n GLY 575 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1fhq s ARG 576 N 0.00 3.91 -0.02 1.61 3.52 -1.26 -1.38 118.95 125.34 1fhq s ARG 576 Ca 0.00 -0.38 -0.00 0.00 -0.13 0.00 0.00 55.73 55.22 1fhq s ARG 576 Cb 0.00 -3.18 -0.01 0.00 -1.56 0.00 0.00 34.95 30.20 1fhq s ARG 576 CO 0.00 0.24 -0.02 0.34 -0.81 0.00 0.00 175.30 175.05 1fhq n PHE 577 N 3.62 0.00 -5.21 5.12 7.35 -0.96 -3.94 117.46 123.45 1fhq n PHE 577 Ca -0.17 0.00 -0.30 0.00 -0.76 0.00 0.00 57.45 56.22 1fhq n PHE 577 Cb 0.52 -0.06 -0.16 0.00 0.35 0.00 0.00 39.48 40.13 1fhq n PHE 577 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 1fhq s LEU 578 N -5.58 2.04 -0.22 -2.13 0.20 -0.80 -1.99 118.68 110.21 1fhq s LEU 578 Ca -0.02 -0.45 0.02 0.00 0.69 0.00 0.00 54.13 54.36 1fhq s LEU 578 Cb 0.01 -1.27 0.04 0.00 -0.43 0.00 0.00 46.19 44.54 1fhq s LEU 578 CO 0.04 0.28 -0.14 -0.89 -0.29 0.00 0.00 176.35 175.34 1fhq s THR 579 N -0.44 2.02 -0.43 3.68 2.01 0.29 0.12 115.64 122.90 1fhq s THR 579 Ca 0.06 -1.25 -0.16 0.00 0.31 0.00 0.00 61.69 60.65 1fhq s THR 579 Cb -0.11 -2.01 0.03 0.00 0.01 0.00 0.00 72.50 70.43 1fhq s THR 579 CO 0.00 0.22 0.35 -0.76 -0.69 0.00 0.00 174.62 173.75 1fhq s LEU 580 N 1.23 5.16 -0.43 4.42 1.43 0.85 0.16 118.68 131.50 1fhq s LEU 580 Ca -0.02 -0.94 -0.07 0.00 -1.03 0.00 0.00 54.13 52.07 1fhq s LEU 580 Cb -0.17 -2.21 0.11 0.00 0.03 0.00 0.00 46.19 43.95 1fhq s LEU 580 CO -0.09 -0.52 0.27 -1.59 0.23 0.00 0.00 176.35 174.65 1fhq s LYS 581 N 1.78 2.31 -0.56 1.70 -2.85 -0.63 0.25 119.74 121.74 1fhq s LYS 581 Ca 0.06 -1.73 -0.26 0.00 -1.00 0.00 0.00 55.97 53.04 1fhq s LYS 581 Cb -0.20 -3.75 -0.09 0.00 -2.06 0.00 0.00 37.83 31.73 1fhq s LYS 581 CO 0.10 -1.10 2.45 -0.35 0.10 0.00 0.00 175.35 176.55 1fhq n PRO 582 N 4.78 0.90 -1.68 1.78 -0.04 -0.04 -1.64 135.00 139.06 1fhq n PRO 582 Ca -0.06 -0.05 -0.31 0.00 -0.04 0.00 0.00 63.50 63.04 1fhq n PRO 582 Cb 0.41 -3.24 0.04 0.00 -0.04 0.00 0.00 33.50 30.67 1fhq n PRO 582 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 1fhq s LEU 583 N 11.99 3.08 0.59 1.53 -0.00 -1.06 -2.30 118.68 132.52 1fhq s LEU 583 Ca 1.02 1.48 0.29 0.00 -0.00 0.00 0.00 54.13 56.92 1fhq s LEU 583 Cb -0.29 -4.37 1.34 0.00 -0.00 0.00 0.00 46.19 42.86 1fhq s LEU 583 CO 0.28 -1.32 1.72 -0.65 -0.00 0.00 0.00 176.35 176.38 1fhq h PRO 584 N -0.64 0.00 0.00 1.48 0.11 -1.90 1.20 132.00 132.25 1fhq h PRO 584 Ca -0.44 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 1fhq h PRO 584 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1fhq h PRO 584 CO 0.59 0.00 -0.04 -0.44 -0.21 0.00 0.00 178.00 177.90 1fhq h ASP 585 N 0.00 0.00 -3.14 -2.05 3.32 -1.90 -3.41 116.42 109.24 1fhq h ASP 585 Ca 0.32 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.79 1fhq h ASP 585 Cb 1.76 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 41.27 1fhq h ASP 585 CO -0.00 0.04 -0.31 -0.94 -1.72 0.00 0.00 179.24 176.30 1fhq s SER 586 N -5.75 6.51 0.66 6.45 1.04 0.41 -4.64 113.70 118.38 1fhq s SER 586 Ca -0.03 0.60 0.34 0.00 0.48 0.00 0.00 55.95 57.34 1fhq s SER 586 Cb 0.13 -2.10 1.87 0.00 0.10 0.00 0.00 66.02 66.02 1fhq s SER 586 CO 0.51 0.08 2.07 -0.29 0.98 0.00 0.00 173.24 176.59 1fhq h ILE 587 N 2.21 0.03 -3.48 -1.02 6.09 -1.51 -3.39 117.51 116.44 1fhq h ILE 587 Ca -0.47 0.00 -0.66 0.00 -1.37 0.00 0.00 64.86 62.36 1fhq h ILE 587 Cb 1.17 0.77 -0.25 0.00 0.47 0.00 0.00 36.82 38.98 1fhq h ILE 587 CO 0.71 0.00 -0.75 -0.51 -3.07 0.00 0.00 178.15 174.53 1fhq s ILE 588 N -4.15 3.16 -0.76 2.19 2.07 -1.26 -5.06 121.20 117.39 1fhq s ILE 588 Ca -0.04 -0.64 0.03 0.00 -1.41 0.00 0.00 60.65 58.59 1fhq s ILE 588 Cb 0.10 -2.31 0.23 0.00 0.13 0.00 0.00 42.46 40.61 1fhq s ILE 588 CO 0.33 0.54 0.76 0.00 -1.91 0.00 0.00 174.94 174.66 1fhq n GLN 589 N 3.22 2.56 -4.55 3.50 3.00 -1.25 -4.04 117.38 119.81 1fhq n GLN 589 Ca -0.18 -4.58 -0.26 0.00 -0.01 0.00 0.00 57.00 51.97 1fhq n GLN 589 Cb 0.53 -2.32 -0.09 0.00 0.00 0.00 0.00 30.24 28.35 1fhq n GLN 589 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 1fhq s GLU 590 N -2.03 1.90 -0.09 -1.09 0.41 -0.97 -5.00 118.70 111.83 1fhq s GLU 590 Ca 0.32 -2.14 0.01 0.00 -0.41 0.00 0.00 54.97 52.75 1fhq s GLU 590 Cb 0.04 -0.97 0.02 0.00 -1.78 0.00 0.00 34.13 31.44 1fhq s GLU 590 CO -0.07 -0.33 -0.09 -1.54 -0.49 0.00 0.00 175.26 172.75 1fhq s SER 591 N -3.63 1.87 -0.07 -0.19 1.04 -1.26 -0.86 113.70 110.60 1fhq s SER 591 Ca 0.25 -0.27 0.02 0.00 0.48 0.00 0.00 55.95 56.42 1fhq s SER 591 Cb 0.05 -0.77 -0.03 0.00 0.10 0.00 0.00 66.02 65.37 1fhq s SER 591 CO 0.13 -0.06 -0.11 -0.76 0.98 0.00 0.00 173.24 173.42 1fhq s LEU 592 N 1.27 2.93 -0.19 2.42 1.43 0.69 -4.96 118.68 122.27 1fhq s LEU 592 Ca -0.04 -0.14 0.01 0.00 -1.03 0.00 0.00 54.13 52.93 1fhq s LEU 592 Cb -0.14 -1.63 0.04 0.00 0.03 0.00 0.00 46.19 44.49 1fhq s LEU 592 CO -0.03 0.32 -0.11 -1.61 0.23 0.00 0.00 176.35 175.15 1fhq s GLU 593 N -0.55 2.09 -0.11 1.70 8.01 -1.26 0.29 118.70 128.88 1fhq s GLU 593 Ca 0.08 -0.79 -0.27 0.00 0.01 0.00 0.00 54.97 54.00 1fhq s GLU 593 Cb -0.12 -2.35 -0.02 0.00 -4.31 0.00 0.00 34.13 27.33 1fhq s GLU 593 CO 0.02 -0.39 0.91 0.42 0.01 0.00 0.00 175.26 176.23 1fhq s ILE 594 N 1.41 4.86 0.21 -1.63 1.01 0.32 -4.96 121.20 122.43 1fhq s ILE 594 Ca 0.00 1.84 -0.30 0.00 0.00 0.00 0.00 60.65 62.19 1fhq s ILE 594 Cb -0.15 -4.22 -0.08 0.00 0.01 0.00 0.00 42.46 38.01 1fhq s ILE 594 CO -0.09 0.07 0.99 -1.10 0.00 0.00 0.00 174.94 174.81 1fhq s GLN 595 N 1.76 4.75 0.56 2.79 1.11 -1.25 -1.91 119.66 127.46 1fhq s GLN 595 Ca 0.44 1.56 0.35 0.00 0.01 0.00 0.00 55.36 57.72 1fhq s GLN 595 Cb -0.18 -3.29 1.48 0.00 -1.01 0.00 0.00 33.01 30.01 1fhq s GLN 595 CO 0.18 0.34 1.75 -0.56 0.01 0.00 0.00 175.29 177.01 1fhq h GLN 596 N 4.57 0.00 0.00 2.91 3.07 -1.49 1.30 115.11 125.47 1fhq h GLN 596 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.29 1fhq h GLN 596 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.77 1fhq h GLN 596 CO 0.69 0.00 -0.66 0.78 0.09 0.00 0.00 178.83 179.74 1fhq h GLY 597 N 0.00 0.00 -6.66 0.06 0.00 -1.90 -3.45 103.07 91.12 1fhq h GLY 597 Ca 0.51 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 47.23 1fhq h GLY 597 CO -0.01 0.00 0.46 0.14 0.00 0.00 0.00 176.54 177.14 1fhq s VAL 598 N -3.28 4.64 -0.13 4.60 1.01 0.45 -5.00 120.40 122.69 1fhq s VAL 598 Ca 0.03 0.87 -0.05 0.00 0.00 0.00 0.00 61.98 62.83 1fhq s VAL 598 Cb 0.09 -4.29 0.06 0.00 0.00 0.00 0.00 36.38 32.24 1fhq s VAL 598 CO 0.74 -0.57 0.28 0.21 0.00 0.00 0.00 175.10 175.77 1fhq s ASN 599 N 1.96 0.12 0.42 3.32 3.84 -1.26 -4.31 114.94 119.03 1fhq s ASN 599 Ca 0.34 0.63 -0.02 0.00 0.21 0.00 0.00 52.86 54.01 1fhq s ASN 599 Cb -0.12 0.69 -0.03 0.00 -0.55 0.00 0.00 41.25 41.24 1fhq s ASN 599 CO 0.20 -0.22 0.67 -2.16 -2.79 0.00 0.00 177.10 172.80 1fhq s PRO 600 N 2.13 3.45 -0.30 0.43 0.04 -1.26 -4.95 135.00 134.53 1fhq s PRO 600 Ca -0.02 -0.12 -0.21 0.00 0.04 0.00 0.00 61.00 60.69 1fhq s PRO 600 Cb -0.11 -2.52 -0.01 0.00 0.04 0.00 0.00 34.50 31.90 1fhq s PRO 600 CO -0.09 -0.07 0.68 0.12 0.04 0.00 0.00 177.00 177.68 1fhq s PHE 601 N -2.54 3.22 0.03 0.56 5.36 0.51 -4.86 117.98 120.26 1fhq s PHE 601 Ca 0.44 0.67 -0.20 0.00 -0.96 0.00 0.00 56.93 56.89 1fhq s PHE 601 Cb -0.10 -3.04 -0.06 0.00 -0.34 0.00 0.00 43.02 39.48 1fhq s PHE 601 CO 0.40 -0.49 0.58 -0.06 -1.46 0.00 0.00 175.22 174.19 1fhq s PHE 602 N 2.70 3.74 -0.01 10.12 0.08 -1.26 0.12 117.98 133.47 1fhq s PHE 602 Ca 0.27 1.23 0.03 0.00 0.12 0.00 0.00 56.93 58.58 1fhq s PHE 602 Cb -0.15 -2.55 -0.00 0.00 -0.57 0.00 0.00 43.02 39.75 1fhq s PHE 602 CO 0.12 0.47 -0.10 0.42 -0.10 0.00 0.00 175.22 176.03 1fhq s ILE 603 N -0.64 0.78 -1.68 0.64 1.01 0.85 0.19 121.20 122.34 1fhq s ILE 603 Ca 0.30 -0.40 0.00 0.00 0.00 0.00 0.00 60.65 60.55 1fhq s ILE 603 Cb -0.19 -0.67 0.00 0.00 0.01 0.00 0.00 42.46 41.61 1fhq s ILE 603 CO 0.18 0.23 0.00 0.61 0.00 0.00 0.00 174.94 175.96 1fhq n GLY 604 N 3.01 -1.37 0.24 6.18 0.00 -1.24 0.96 105.19 112.97 1fhq n GLY 604 Ca -0.15 -0.98 -0.12 0.00 0.00 0.00 0.00 46.02 44.78 1fhq n GLY 604 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1fhq h ARG 605 N 0.00 0.75 -6.13 1.61 9.65 0.12 -3.20 114.38 117.18 1fhq h ARG 605 Ca 0.00 -0.44 -0.57 0.00 -1.10 0.00 0.00 59.98 57.87 1fhq h ARG 605 Cb 0.00 0.04 -0.05 0.00 -1.39 0.00 0.00 29.97 28.57 1fhq h ARG 605 CO 0.00 1.06 0.87 -1.12 2.80 0.00 0.00 179.97 183.58 1fhq s SER 606 N -6.90 6.99 0.64 -3.80 0.01 -1.25 -4.67 113.70 104.73 1fhq s SER 606 Ca -0.09 1.53 0.22 0.00 1.31 0.00 0.00 55.95 58.92 1fhq s SER 606 Cb 0.11 -2.54 1.11 0.00 0.21 0.00 0.00 66.02 64.91 1fhq s SER 606 CO 0.86 -0.74 1.61 1.05 0.41 0.00 0.00 173.24 176.43 1fhq h GLU 607 N 7.96 0.00 -1.58 12.44 4.11 -1.85 0.15 114.58 135.81 1fhq h GLU 607 Ca -0.23 0.00 0.47 0.00 0.07 0.00 0.00 59.36 59.67 1fhq h GLU 607 Cb 1.08 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.25 1fhq h GLU 607 CO 0.98 0.00 1.11 -0.44 0.07 0.00 0.00 179.01 180.73 1fhq h ASP 608 N 0.00 0.07 -3.02 3.06 5.19 -1.89 -3.35 116.42 116.47 1fhq h ASP 608 Ca 0.09 0.03 -0.55 0.00 -0.62 0.00 0.00 57.03 55.99 1fhq h ASP 608 Cb 1.35 0.03 -0.02 0.00 0.18 0.00 0.00 39.33 40.87 1fhq h ASP 608 CO -0.00 -0.04 0.76 0.00 -3.12 0.00 0.00 179.24 176.84 1fhq n ASN 610 N 5.42 0.07 -4.87 0.00 4.05 0.27 -4.06 115.26 116.14 1fhq n ASN 610 Ca 0.12 1.05 -0.35 0.00 0.45 0.00 0.00 54.58 55.85 1fhq n ASN 610 Cb 0.45 -0.52 -0.05 0.00 1.23 0.00 0.00 39.78 40.89 1fhq n ASN 610 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1fhq s LYS 612 N -1.69 2.45 -0.03 0.00 2.36 -1.26 -4.03 119.74 117.53 1fhq s LYS 612 Ca 0.29 -1.21 -0.01 0.00 -2.55 0.00 0.00 55.97 52.50 1fhq s LYS 612 Cb -0.14 -2.81 0.03 0.00 -1.05 0.00 0.00 37.83 33.86 1fhq s LYS 612 CO 0.16 -0.47 0.03 0.42 1.55 0.00 0.00 175.35 177.03 1fhq s ILE 613 N 1.15 0.05 -0.58 5.43 -1.09 -1.21 -5.02 121.20 119.94 1fhq s ILE 613 Ca -0.05 0.23 -0.16 0.00 -2.23 0.00 0.00 60.65 58.44 1fhq s ILE 613 Cb -0.18 -0.21 0.13 0.00 -1.58 0.00 0.00 42.46 40.62 1fhq s ILE 613 CO -0.07 0.15 0.57 -1.61 -1.23 0.00 0.00 174.94 172.75 1fhq s GLU 614 N 1.50 3.06 -0.22 2.79 2.02 -1.26 -3.85 118.70 122.74 1fhq s GLU 614 Ca -0.03 -1.70 -0.02 0.00 0.02 0.00 0.00 54.97 53.23 1fhq s GLU 614 Cb -0.13 -4.31 0.07 0.00 0.10 0.00 0.00 34.13 29.86 1fhq s GLU 614 CO -0.03 -1.37 0.03 -0.51 0.02 0.00 0.00 175.26 173.40 1fhq s ASP 615 N 3.48 3.27 0.36 -0.19 1.11 -1.26 -4.94 116.67 118.50 1fhq s ASP 615 Ca 0.06 -1.01 0.21 0.00 0.18 0.00 0.00 52.55 51.99 1fhq s ASP 615 Cb -0.27 -0.75 1.32 0.00 1.07 0.00 0.00 42.92 44.29 1fhq s ASP 615 CO 0.02 -0.31 1.55 0.59 1.18 0.00 0.00 175.17 178.21 1fhq n ASN 616 N 4.94 0.34 0.15 0.27 4.13 -1.26 0.21 115.26 124.05 1fhq n ASN 616 Ca -0.09 1.62 0.03 0.00 1.68 0.00 0.00 54.58 57.83 1fhq n ASN 616 Cb 0.46 -0.79 0.11 0.00 -1.54 0.00 0.00 39.78 38.01 1fhq n ASN 616 CO 0.00 0.00 0.00 0.03 0.28 0.00 0.00 177.26 177.57 1fhq h ARG 617 N 0.00 0.00 -7.18 3.52 -0.00 -2.00 -3.46 114.38 105.25 1fhq h ARG 617 Ca 0.83 0.00 -0.53 0.00 -0.50 0.00 0.00 59.98 59.79 1fhq h ARG 617 Cb 2.21 0.00 0.20 0.00 0.00 0.00 0.00 29.97 32.38 1fhq h ARG 617 CO -0.75 0.49 0.17 1.28 0.00 0.00 0.00 179.97 181.16 1fhq n LEU 618 N -3.31 3.30 -4.62 3.04 4.32 0.57 -4.85 117.00 115.46 1fhq n LEU 618 Ca 0.01 0.47 -0.27 0.00 -0.02 0.00 0.00 56.01 56.21 1fhq n LEU 618 Cb 0.68 -1.46 -0.10 0.00 -1.62 0.00 0.00 43.42 40.93 1fhq n LEU 618 CO 0.40 -2.17 -0.29 -0.44 -1.22 0.00 0.00 177.39 173.67 1fhq s SER 619 N -2.37 3.96 0.13 -1.43 0.01 -1.26 -4.58 113.70 108.16 1fhq s SER 619 Ca 0.68 -1.25 -0.29 0.00 1.31 0.00 0.00 55.95 56.40 1fhq s SER 619 Cb -0.25 -0.42 -0.06 0.00 0.21 0.00 0.00 66.02 65.50 1fhq s SER 619 CO 0.56 -0.39 1.58 0.03 0.41 0.00 0.00 173.24 175.44 1fhq h ARG 620 N 1.78 -0.48 -1.30 12.44 -0.00 -1.91 1.14 114.38 126.05 1fhq h ARG 620 Ca -0.43 0.03 -0.65 0.00 -0.50 0.00 0.00 59.98 58.43 1fhq h ARG 620 Cb 1.25 0.11 -0.35 0.00 0.00 0.00 0.00 29.97 30.97 1fhq h ARG 620 CO 0.76 -0.32 0.14 0.28 0.00 0.00 0.00 179.97 180.82 1fhq n VAL 621 N -5.44 3.07 -0.45 2.04 0.31 -1.26 -3.69 118.33 112.91 1fhq n VAL 621 Ca -0.04 -4.04 0.37 0.00 -0.01 0.00 0.00 64.34 60.61 1fhq n VAL 621 Cb 0.36 -1.20 0.60 0.00 -0.91 0.00 0.00 33.84 32.69 1fhq n VAL 621 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 1fhq n HIS 622 N -0.68 0.40 0.00 3.52 -0.00 -0.11 -3.98 115.22 114.38 1fhq n HIS 622 Ca 0.51 0.40 0.00 0.00 0.46 0.00 0.00 57.72 59.09 1fhq n HIS 622 Cb 0.63 -0.82 0.00 0.00 -0.12 0.00 0.00 29.99 29.69 1fhq n HIS 622 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1fhq s PHE 624 N -2.00 0.04 -0.25 0.00 -0.71 0.13 0.29 117.98 115.48 1fhq s PHE 624 Ca 0.00 -0.13 -0.10 0.00 -1.04 0.00 0.00 56.93 55.66 1fhq s PHE 624 Cb 0.00 -0.05 -0.05 0.00 -1.21 0.00 0.00 43.02 41.71 1fhq s PHE 624 CO 0.00 -0.27 0.15 0.42 -1.34 0.00 0.00 175.22 174.17 1fhq s ILE 625 N -1.33 5.12 0.14 -4.49 1.01 0.32 0.17 121.20 122.15 1fhq s ILE 625 Ca -0.14 0.10 0.06 0.00 0.00 0.00 0.00 60.65 60.67 1fhq s ILE 625 Cb -0.07 -3.40 -0.04 0.00 0.01 0.00 0.00 42.46 38.96 1fhq s ILE 625 CO 0.01 0.32 -0.00 0.12 0.00 0.00 0.00 174.94 175.40 1fhq s PHE 626 N 1.31 2.90 -0.08 3.97 5.36 0.63 0.19 117.98 132.26 1fhq s PHE 626 Ca 0.07 -0.10 0.03 0.00 -0.96 0.00 0.00 56.93 55.97 1fhq s PHE 626 Cb -0.14 -1.44 -0.01 0.00 -0.34 0.00 0.00 43.02 41.08 1fhq s PHE 626 CO 0.06 0.50 -0.18 0.21 -1.46 0.00 0.00 175.22 174.35 1fhq s LYS 627 N -2.70 2.85 0.10 10.12 2.20 -1.26 0.22 119.74 131.27 1fhq s LYS 627 Ca 0.27 -0.78 0.02 0.00 -0.36 0.00 0.00 55.97 55.12 1fhq s LYS 627 Cb -0.10 -2.38 -0.04 0.00 -1.51 0.00 0.00 37.83 33.80 1fhq s LYS 627 CO 0.18 0.37 -0.07 0.21 -0.36 0.00 0.00 175.35 175.69 1fhq s LYS 628 N -0.10 0.83 -0.22 4.03 2.36 0.68 -4.96 119.74 122.35 1fhq s LYS 628 Ca -0.03 -1.29 -0.29 0.00 -2.55 0.00 0.00 55.97 51.80 1fhq s LYS 628 Cb -0.14 -0.26 -0.00 0.00 -1.05 0.00 0.00 37.83 36.37 1fhq s LYS 628 CO 0.04 0.00 1.23 -0.98 1.55 0.00 0.00 175.35 177.19 1fhq s ARG 629 N -3.60 4.14 0.06 4.03 1.04 -1.26 0.20 118.95 123.56 1fhq s ARG 629 Ca 0.10 1.46 -0.30 0.00 -1.04 0.00 0.00 55.73 55.95 1fhq s ARG 629 Cb 0.03 -3.78 -0.09 0.00 -2.04 0.00 0.00 34.95 29.08 1fhq s ARG 629 CO -0.04 -0.83 1.90 -1.58 -0.04 0.00 0.00 175.30 174.72 1fhq s HIS 630 N 3.71 1.62 -0.00 5.89 5.65 0.69 -4.79 115.29 128.06 1fhq s HIS 630 Ca 0.53 -0.27 -0.24 0.00 0.25 0.00 0.00 55.06 55.33 1fhq s HIS 630 Cb -0.19 -4.20 -0.05 0.00 -1.18 0.00 0.00 32.58 26.97 1fhq s HIS 630 CO 0.16 -5.21 0.73 0.00 -0.65 0.00 0.00 174.74 169.76 1fhq s ALA 631 N 3.85 3.36 0.39 1.58 0.00 -1.26 -3.27 121.76 126.41 1fhq s ALA 631 Ca 0.85 0.21 0.03 0.00 0.00 0.00 0.00 51.96 53.05 1fhq s ALA 631 Cb -0.43 -2.96 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 1fhq s ALA 631 CO 0.39 0.01 0.09 0.54 0.00 0.00 0.00 175.76 176.79 1fhq s VAL 632 N 0.28 0.85 0.47 0.00 0.11 -1.26 -5.02 120.40 115.83 1fhq s VAL 632 Ca 0.38 -2.00 0.07 0.00 -2.93 0.00 0.00 61.98 57.50 1fhq s VAL 632 Cb -0.19 -2.47 0.00 0.00 -1.53 0.00 0.00 36.38 32.19 1fhq s VAL 632 CO 0.21 0.00 0.39 -0.83 -3.33 0.00 0.00 175.10 171.54 1fhq s GLY 633 N -3.60 2.21 0.23 6.54 0.00 -1.26 -5.03 107.32 106.41 1fhq s GLY 633 Ca 0.26 -1.72 -0.32 0.00 0.00 0.00 0.00 44.72 42.94 1fhq s GLY 633 CO 0.14 -1.80 1.61 0.28 0.00 0.00 0.00 173.10 173.32 1fhq n LYS 634 N -1.63 2.50 -3.87 2.90 4.01 -1.26 -4.97 118.16 115.83 1fhq n LYS 634 Ca 0.02 0.90 -0.36 0.00 -0.51 0.00 0.00 58.31 58.36 1fhq n LYS 634 Cb 0.63 -2.68 -0.13 0.00 -0.51 0.00 0.00 35.03 32.33 1fhq n LYS 634 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 1fhq s SER 635 N 0.78 4.81 -0.41 4.39 1.04 -1.26 -4.97 113.70 118.09 1fhq s SER 635 Ca 0.72 -1.02 0.02 0.00 0.48 0.00 0.00 55.95 56.15 1fhq s SER 635 Cb -0.56 -1.75 0.52 0.00 0.10 0.00 0.00 66.02 64.32 1fhq s SER 635 CO 0.41 -0.21 1.82 0.80 0.98 0.00 0.00 173.24 177.03 1fhq n MET 636 N 4.71 2.11 0.00 4.02 1.56 -1.26 -4.90 117.12 123.36 1fhq n MET 636 Ca -0.14 -2.54 0.00 0.00 -0.27 0.00 0.00 57.70 54.75 1fhq n MET 636 Cb 0.46 -2.00 0.00 0.00 2.15 0.00 0.00 33.22 33.83 1fhq n MET 636 CO 0.00 0.00 0.00 0.98 -0.73 0.00 0.00 175.97 176.22 1fhq n TYR 637 N -0.79 0.00 -3.83 1.12 4.19 -1.26 -5.12 117.16 111.47 1fhq n TYR 637 Ca 0.50 0.00 -0.35 0.00 3.31 0.00 0.00 57.90 61.36 1fhq n TYR 637 Cb 1.30 0.00 -0.12 0.00 0.49 0.00 0.00 39.34 41.01 1fhq n TYR 637 CO 0.00 0.00 0.00 -2.00 0.91 0.00 0.00 176.86 175.77 1fhq s GLU 638 N 1.67 1.92 0.06 2.98 2.12 -1.26 -5.07 118.70 121.11 1fhq s GLU 638 Ca 0.00 -1.81 0.01 0.00 0.36 0.00 0.00 54.97 53.53 1fhq s GLU 638 Cb 0.00 -3.49 -0.03 0.00 0.26 0.00 0.00 34.13 30.86 1fhq s GLU 638 CO 0.00 -1.03 -0.05 -1.54 -0.54 0.00 0.00 175.26 172.10 1fhq s SER 639 N 1.62 0.71 0.00 -1.70 1.04 -1.26 -5.17 113.70 108.94 1fhq s SER 639 Ca 0.08 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 55.68 1fhq s SER 639 Cb -0.22 0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.02 1fhq s SER 639 CO -0.05 -0.44 0.00 -0.81 0.98 0.00 0.00 173.24 172.93 1fhq n PRO 640 N 0.56 1.98 0.00 4.02 -0.04 -1.26 -4.52 135.00 135.75 1fhq n PRO 640 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 1fhq n PRO 640 Cb 0.59 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.05 1fhq n PRO 640 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1fhq n ALA 641 N -3.00 0.00 -3.01 0.55 0.00 -1.26 -4.76 120.51 109.02 1fhq n ALA 641 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 1fhq n ALA 641 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1fhq n ALA 641 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fhq n GLN 642 N 0.00 -1.81 -2.17 0.00 10.64 -1.26 -3.71 117.38 119.06 1fhq n GLN 642 Ca 0.00 0.05 0.00 0.00 -1.83 0.00 0.00 57.00 55.22 1fhq n GLN 642 Cb 0.00 -3.84 0.00 0.00 -0.86 0.00 0.00 30.24 25.54 1fhq n GLN 642 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1fhq n GLY 643 N -0.66 -5.45 0.00 2.61 0.00 -1.26 -5.09 105.19 95.34 1fhq n GLY 643 Ca 0.05 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1fhq n GLY 643 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1fhq n LEU 644 N 1.97 0.00 -4.20 0.99 4.77 -1.20 -4.96 117.00 114.37 1fhq n LEU 644 Ca 0.00 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.70 1fhq n LEU 644 Cb 0.00 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 40.93 1fhq n LEU 644 CO 0.00 0.00 -0.53 -1.81 -1.33 0.00 0.00 177.39 173.72 1fhq s ASP 645 N 1.62 2.56 0.27 -1.43 1.01 -1.26 0.25 116.67 119.69 1fhq s ASP 645 Ca 0.00 -0.42 0.10 0.00 0.71 0.00 0.00 52.55 52.94 1fhq s ASP 645 Cb 0.00 -0.65 -0.04 0.00 1.01 0.00 0.00 42.92 43.23 1fhq s ASP 645 CO 0.00 0.20 -0.03 -0.62 0.21 0.00 0.00 175.17 174.93 1fhq s ASP 646 N -0.11 4.40 -0.21 0.27 -1.08 0.55 -4.17 116.67 116.31 1fhq s ASP 646 Ca -0.02 -0.71 -0.03 0.00 -0.52 0.00 0.00 52.55 51.27 1fhq s ASP 646 Cb -0.12 -0.76 -0.01 0.00 -1.46 0.00 0.00 42.92 40.58 1fhq s ASP 646 CO 0.02 -0.00 -0.06 0.27 0.52 0.00 0.00 175.17 175.92 1fhq s ILE 647 N -2.36 3.22 -0.14 4.11 -4.36 -1.26 -0.23 121.20 120.18 1fhq s ILE 647 Ca 0.31 -0.54 -0.04 0.00 -0.26 0.00 0.00 60.65 60.12 1fhq s ILE 647 Cb -0.06 -2.45 -0.03 0.00 1.25 0.00 0.00 42.46 41.16 1fhq s ILE 647 CO 0.19 0.44 -0.01 0.26 0.24 0.00 0.00 174.94 176.06 1fhq s TRP 648 N 1.44 3.10 -0.30 1.37 0.52 0.60 -1.04 118.94 124.63 1fhq s TRP 648 Ca 0.06 -0.09 -0.20 0.00 0.02 0.00 0.00 56.10 55.88 1fhq s TRP 648 Cb -0.14 -1.93 -0.01 0.00 -1.15 0.00 0.00 33.47 30.24 1fhq s TRP 648 CO -0.04 0.15 0.64 -0.47 0.02 0.00 0.00 176.95 177.24 1fhq s TYR 649 N -0.01 3.22 -0.38 -1.98 5.04 0.83 0.23 117.35 124.30 1fhq s TYR 649 Ca 0.02 0.62 -0.05 0.00 -2.44 0.00 0.00 57.07 55.21 1fhq s TYR 649 Cb -0.13 -2.98 0.07 0.00 0.35 0.00 0.00 41.96 39.27 1fhq s TYR 649 CO 0.02 -0.46 0.16 0.00 -1.34 0.00 0.00 175.55 173.93 1fhq s HIS 651 N 1.31 3.57 0.00 0.00 2.46 -0.79 0.18 115.29 122.01 1fhq s HIS 651 Ca 0.02 1.56 0.00 0.00 0.47 0.00 0.00 55.06 57.11 1fhq s HIS 651 Cb -0.22 -3.22 0.00 0.00 -0.13 0.00 0.00 32.58 29.01 1fhq s HIS 651 CO -0.00 -0.44 0.27 0.25 -2.47 0.00 0.00 174.74 172.34 1fhq n THR 652 N 3.97 0.00 -2.76 0.89 -2.24 -0.93 0.39 114.28 113.60 1fhq n THR 652 Ca 0.07 -0.44 -0.33 0.00 -2.27 0.00 0.00 64.05 61.08 1fhq n THR 652 Cb 0.49 1.07 -0.06 0.00 -2.10 0.00 0.00 70.33 69.73 1fhq n THR 652 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1fhq s GLY 653 N -0.35 2.30 0.39 3.38 0.00 0.48 -4.72 107.32 108.80 1fhq s GLY 653 Ca 0.00 0.30 0.21 0.00 0.00 0.00 0.00 44.72 45.22 1fhq s GLY 653 CO 0.00 0.56 1.71 -0.84 0.00 0.00 0.00 173.10 174.53 1fhq h THR 654 N 1.67 0.66 0.00 0.90 2.02 -1.94 -3.02 112.91 113.21 1fhq h THR 654 Ca -0.48 -1.45 0.00 0.00 0.77 0.00 0.00 66.41 65.25 1fhq h THR 654 Cb 1.18 1.96 0.00 0.00 -1.74 0.00 0.00 68.15 69.55 1fhq h THR 654 CO 0.62 0.30 0.00 0.59 0.37 0.00 0.00 175.52 177.40 1fhq n ASN 655 N -3.37 0.00 -1.48 4.18 3.02 -1.26 -4.81 115.26 111.54 1fhq n ASN 655 Ca 0.01 -0.84 0.19 0.00 -0.03 0.00 0.00 54.58 53.90 1fhq n ASN 655 Cb 0.52 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.62 1fhq n ASN 655 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1fhq n VAL 656 N -0.74 -0.13 -4.20 2.41 0.24 -1.17 -4.79 118.33 109.95 1fhq n VAL 656 Ca 0.07 0.56 -0.13 0.00 -2.04 0.00 0.00 64.34 62.79 1fhq n VAL 656 Cb 0.03 -1.06 -0.10 0.00 -1.47 0.00 0.00 33.84 31.23 1fhq n VAL 656 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1fhq s SER 657 N -7.30 1.49 -0.07 -1.34 0.01 0.16 -4.47 113.70 102.18 1fhq s SER 657 Ca 0.00 -0.92 -0.01 0.00 1.31 0.00 0.00 55.95 56.33 1fhq s SER 657 Cb 0.00 0.02 0.03 0.00 0.21 0.00 0.00 66.02 66.28 1fhq s SER 657 CO 0.00 -0.33 0.01 -0.31 0.41 0.00 0.00 173.24 173.02 1fhq s TYR 658 N -2.96 0.61 -0.28 2.43 1.51 0.42 -0.91 117.35 118.15 1fhq s TYR 658 Ca 0.10 -0.13 0.02 0.00 -1.01 0.00 0.00 57.07 56.06 1fhq s TYR 658 Cb 0.01 -0.77 0.07 0.00 -0.11 0.00 0.00 41.96 41.15 1fhq s TYR 658 CO -0.01 -0.32 -0.06 -1.17 -1.11 0.00 0.00 175.55 172.88 1fhq s LEU 659 N 1.99 3.77 0.00 -1.29 2.96 -0.00 0.16 118.68 126.27 1fhq s LEU 659 Ca 0.05 -1.52 0.00 0.00 -0.22 0.00 0.00 54.13 52.44 1fhq s LEU 659 Cb -0.12 -1.59 0.00 0.00 0.50 0.00 0.00 46.19 44.98 1fhq s LEU 659 CO -0.05 -0.24 0.00 -3.20 -1.32 0.00 0.00 176.35 171.54 1fhq n ASN 660 N 4.43 0.00 -0.51 3.68 4.05 -1.21 -0.41 115.26 125.29 1fhq n ASN 660 Ca -0.11 0.00 -0.00 0.00 0.45 0.00 0.00 54.58 54.92 1fhq n ASN 660 Cb 0.42 0.00 -0.00 0.00 1.23 0.00 0.00 39.78 41.43 1fhq n ASN 660 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 1fhq n ASN 661 N 0.95 -0.00 -4.16 1.20 3.02 -1.26 -5.09 115.26 109.91 1fhq n ASN 661 Ca 0.00 -1.50 -0.31 0.00 -0.03 0.00 0.00 54.58 52.74 1fhq n ASN 661 Cb 0.00 -0.10 -0.17 0.00 -0.61 0.00 0.00 39.78 38.91 1fhq n ASN 661 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1fhq s ASN 662 N -0.51 2.90 0.07 6.41 0.02 0.45 -5.12 114.94 119.17 1fhq s ASN 662 Ca 0.00 -0.54 -0.19 0.00 -1.02 0.00 0.00 52.86 51.12 1fhq s ASN 662 Cb 0.00 -1.33 -0.07 0.00 0.02 0.00 0.00 41.25 39.88 1fhq s ASN 662 CO -0.00 0.10 0.56 -0.13 0.02 0.00 0.00 177.10 177.65 1fhq s ARG 663 N 0.63 4.19 -0.07 -0.60 0.52 -1.26 -0.82 118.95 121.53 1fhq s ARG 663 Ca -0.12 0.72 -0.03 0.00 -0.52 0.00 0.00 55.73 55.78 1fhq s ARG 663 Cb -0.16 -3.23 0.04 0.00 0.52 0.00 0.00 34.95 32.12 1fhq s ARG 663 CO 0.03 0.64 0.09 0.00 0.02 0.00 0.00 175.30 176.08 1fhq s MET 664 N -1.13 -0.03 0.56 3.54 0.23 -0.09 -4.74 119.30 117.64 1fhq s MET 664 Ca 0.29 0.36 -0.04 0.00 -1.03 0.00 0.00 55.69 55.26 1fhq s MET 664 Cb -0.19 -0.65 0.01 0.00 -1.53 0.00 0.00 34.83 32.47 1fhq s MET 664 CO 0.19 -0.38 0.85 0.96 -2.03 0.00 0.00 175.02 174.61 1fhq s ILE 665 N 2.20 3.66 -0.35 3.16 -4.36 -1.26 0.35 121.20 124.59 1fhq s ILE 665 Ca 0.04 -0.13 -0.30 0.00 -0.26 0.00 0.00 60.65 60.00 1fhq s ILE 665 Cb -0.13 -3.43 -0.09 0.00 1.25 0.00 0.00 42.46 40.07 1fhq s ILE 665 CO -0.05 -0.41 2.27 1.67 0.24 0.00 0.00 174.94 178.66 1fhq n GLN 666 N -2.48 1.37 0.00 0.37 7.27 -1.15 -1.82 117.38 120.94 1fhq n GLN 666 Ca 0.04 0.32 0.00 0.00 0.07 0.00 0.00 57.00 57.43 1fhq n GLN 666 Cb 0.58 -2.90 0.00 0.00 2.41 0.00 0.00 30.24 30.32 1fhq n GLN 666 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1fhq n GLY 667 N 6.15 1.92 3.46 1.69 0.00 0.16 -4.90 105.19 113.67 1fhq n GLY 667 Ca 0.37 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.16 1fhq n GLY 667 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1fhq s THR 668 N -1.92 2.30 0.07 2.61 -4.23 -0.76 0.11 115.64 113.83 1fhq s THR 668 Ca 0.00 -2.34 0.08 0.00 -1.18 0.00 0.00 61.69 58.26 1fhq s THR 668 Cb 0.00 -2.33 -0.03 0.00 1.34 0.00 0.00 72.50 71.48 1fhq s THR 668 CO 0.00 -0.39 -0.23 -0.75 -0.54 0.00 0.00 174.62 172.71 1fhq s LYS 669 N -3.55 1.39 -0.06 3.99 2.20 0.29 -1.89 119.74 122.11 1fhq s LYS 669 Ca 0.29 -1.10 -0.10 0.00 -0.36 0.00 0.00 55.97 54.71 1fhq s LYS 669 Cb -0.03 -1.62 0.02 0.00 -1.51 0.00 0.00 37.83 34.69 1fhq s LYS 669 CO 0.14 0.40 0.24 0.12 -0.36 0.00 0.00 175.35 175.89 1fhq s PHE 670 N -0.94 -0.19 0.11 4.03 5.36 0.21 0.15 117.98 126.71 1fhq s PHE 670 Ca 0.09 0.43 -0.31 0.00 -0.96 0.00 0.00 56.93 56.18 1fhq s PHE 670 Cb -0.10 0.07 -0.07 0.00 -0.34 0.00 0.00 43.02 42.58 1fhq s PHE 670 CO 0.03 -0.22 1.32 -1.17 -1.46 0.00 0.00 175.22 173.72 1fhq s LEU 671 N -0.48 4.38 -0.29 6.12 1.98 -1.26 0.29 118.68 129.42 1fhq s LEU 671 Ca -0.06 2.25 -0.07 0.00 -2.89 0.00 0.00 54.13 53.35 1fhq s LEU 671 Cb -0.04 -3.59 -0.00 0.00 0.66 0.00 0.00 46.19 43.22 1fhq s LEU 671 CO 0.01 -0.58 0.09 -0.76 -1.89 0.00 0.00 176.35 173.23 1fhq s LEU 672 N 0.90 3.81 0.22 -0.68 1.43 -0.21 -4.79 118.68 119.36 1fhq s LEU 672 Ca 0.62 -0.57 -0.04 0.00 -1.03 0.00 0.00 54.13 53.11 1fhq s LEU 672 Cb -0.35 -1.91 -0.05 0.00 0.03 0.00 0.00 46.19 43.91 1fhq s LEU 672 CO 0.31 -0.16 0.46 -1.10 0.23 0.00 0.00 176.35 176.09 1fhq s GLN 673 N 1.55 3.61 0.10 1.70 -0.21 -1.15 -3.95 119.66 121.32 1fhq s GLN 673 Ca 0.04 -0.09 -0.33 0.00 0.02 0.00 0.00 55.36 54.99 1fhq s GLN 673 Cb -0.17 -2.76 -0.13 0.00 1.00 0.00 0.00 33.01 30.96 1fhq s GLN 673 CO 0.03 0.35 1.70 -0.40 -2.12 0.00 0.00 175.29 174.85 1fhq n ASP 674 N -0.49 3.36 -1.39 5.90 5.75 -1.26 -1.83 116.55 126.60 1fhq n ASP 674 Ca -0.02 1.04 -0.06 0.00 -0.01 0.00 0.00 54.79 55.74 1fhq n ASP 674 Cb 0.53 -1.44 0.02 0.00 -1.03 0.00 0.00 41.12 39.20 1fhq n ASP 674 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1fhq n GLY 675 N 3.80 0.49 3.62 6.12 0.00 0.60 -4.94 105.19 114.89 1fhq n GLY 675 Ca 0.18 -0.41 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 1fhq n GLY 675 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1fhq s ASP 676 N -3.14 5.80 -0.39 1.61 1.11 -0.76 -4.78 116.67 116.13 1fhq s ASP 676 Ca 0.13 0.06 -0.17 0.00 0.18 0.00 0.00 52.55 52.75 1fhq s ASP 676 Cb -0.06 -2.03 0.01 0.00 1.07 0.00 0.00 42.92 41.91 1fhq s ASP 676 CO 0.19 0.09 0.41 -0.70 1.18 0.00 0.00 175.17 176.35 1fhq s GLU 677 N 0.89 3.30 -0.25 8.23 -6.30 -1.26 -0.25 118.70 123.06 1fhq s GLU 677 Ca 0.06 -0.60 -0.08 0.00 -2.50 0.00 0.00 54.97 51.85 1fhq s GLU 677 Cb -0.13 -3.90 -0.03 0.00 0.00 0.00 0.00 34.13 30.07 1fhq s GLU 677 CO 0.03 -0.72 0.09 0.42 0.02 0.00 0.00 175.26 175.10 1fhq s ILE 678 N 2.11 4.53 -0.22 -3.70 1.01 -0.69 -3.29 121.20 120.95 1fhq s ILE 678 Ca 0.12 -0.10 -0.18 0.00 0.00 0.00 0.00 60.65 60.50 1fhq s ILE 678 Cb -0.17 -3.12 -0.03 0.00 0.01 0.00 0.00 42.46 39.15 1fhq s ILE 678 CO 0.13 0.33 0.49 -0.54 0.00 0.00 0.00 174.94 175.34 1fhq s LYS 679 N 1.56 4.15 -0.00 2.79 1.02 0.42 -2.66 119.74 127.02 1fhq s LYS 679 Ca 0.06 0.33 0.21 0.00 0.02 0.00 0.00 55.97 56.59 1fhq s LYS 679 Cb -0.15 -3.58 -0.24 0.00 -0.52 0.00 0.00 37.83 33.34 1fhq s LYS 679 CO 0.05 -0.17 0.82 -0.89 -0.92 0.00 0.00 175.35 174.23 1fhq n ILE 680 N 4.65 0.00 -3.68 2.17 5.41 -1.19 0.16 119.36 126.88 1fhq n ILE 680 Ca -0.06 -0.09 -0.10 0.00 1.00 0.00 0.00 62.75 63.51 1fhq n ILE 680 Cb 0.50 0.83 -0.09 0.00 -0.71 0.00 0.00 39.64 40.17 1fhq n ILE 680 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 176.55 176.04 1fhq s ILE 681 N -3.05 -0.01 -0.06 1.39 1.10 -1.26 -4.53 121.20 114.77 1fhq s ILE 681 Ca 0.05 0.05 -0.01 0.00 -0.51 0.00 0.00 60.65 60.23 1fhq s ILE 681 Cb 0.15 -0.74 0.03 0.00 0.15 0.00 0.00 42.46 42.05 1fhq s ILE 681 CO 0.86 0.02 0.01 0.86 -2.11 0.00 0.00 174.94 174.59 1fhq s TRP 682 N 1.36 0.49 -0.22 3.50 -0.00 -1.26 -1.35 118.94 121.46 1fhq s TRP 682 Ca -0.09 -0.05 -0.01 0.00 -0.00 0.00 0.00 56.10 55.95 1fhq s TRP 682 Cb -0.07 -0.69 0.02 0.00 -0.00 0.00 0.00 33.47 32.73 1fhq s TRP 682 CO -0.14 -0.27 -0.10 -0.51 -0.00 0.00 0.00 176.95 175.93 1fhq s ASP 683 N 1.92 3.95 0.05 5.86 1.11 -0.69 -4.98 116.67 123.89 1fhq s ASP 683 Ca 0.03 -0.73 -0.21 0.00 0.18 0.00 0.00 52.55 51.82 1fhq s ASP 683 Cb -0.12 -1.62 -0.13 0.00 1.07 0.00 0.00 42.92 42.12 1fhq s ASP 683 CO -0.04 -0.07 1.46 0.11 1.18 0.00 0.00 175.17 177.81 1fhq h LYS 684 N 8.00 0.25 0.19 8.23 1.57 -1.96 0.66 116.57 133.51 1fhq h LYS 684 Ca -0.38 -0.09 -0.34 0.00 -1.87 0.00 0.00 60.65 57.98 1fhq h LYS 684 Cb 1.13 -0.02 0.02 0.00 0.08 0.00 0.00 32.23 33.43 1fhq h LYS 684 CO 0.59 0.51 -1.63 -0.97 -0.57 0.00 0.00 179.45 177.39 1fhq h ASN 685 N -0.04 0.64 1.19 0.86 -0.00 -2.00 -3.32 115.58 112.92 1fhq h ASN 685 Ca 0.04 -0.93 0.00 0.00 -0.00 0.00 0.00 56.30 55.41 1fhq h ASN 685 Cb 0.41 -0.21 0.00 0.00 -0.00 0.00 0.00 38.32 38.52 1fhq h ASN 685 CO 0.01 1.75 0.00 -1.13 -0.00 0.00 0.00 177.43 178.06 1fhq h ASN 686 N 0.05 0.00 -2.41 1.15 -0.00 -1.98 -3.46 115.58 108.94 1fhq h ASN 686 Ca -0.32 0.00 -0.33 0.00 -0.00 0.00 0.00 56.30 55.65 1fhq h ASN 686 Cb 2.06 0.00 -0.07 0.00 -0.00 0.00 0.00 38.32 40.31 1fhq h ASN 686 CO 0.19 0.00 -0.37 0.29 -0.00 0.00 0.00 177.43 177.54 1fhq n LYS 687 N -2.52 -1.69 -3.35 6.67 4.76 0.22 -4.91 118.16 117.33 1fhq n LYS 687 Ca 0.03 0.87 -0.44 0.00 -2.87 0.00 0.00 58.31 55.90 1fhq n LYS 687 Cb 0.35 -5.35 -0.08 0.00 -1.84 0.00 0.00 35.03 28.11 1fhq n LYS 687 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 1fhq s PHE 688 N -2.62 3.21 -0.03 2.13 5.36 -1.21 -4.91 117.98 119.92 1fhq s PHE 688 Ca 0.00 -0.81 0.07 0.00 -0.96 0.00 0.00 56.93 55.22 1fhq s PHE 688 Cb 0.00 -3.17 -0.02 0.00 -0.34 0.00 0.00 43.02 39.49 1fhq s PHE 688 CO 0.00 -0.81 -0.24 0.14 -1.46 0.00 0.00 175.22 172.84 1fhq s VAL 689 N 1.82 1.95 0.22 3.12 -7.23 -1.26 -1.70 120.40 117.33 1fhq s VAL 689 Ca 0.06 -1.04 0.11 0.00 -1.81 0.00 0.00 61.98 59.31 1fhq s VAL 689 Cb -0.23 -1.63 -0.05 0.00 0.56 0.00 0.00 36.38 35.04 1fhq s VAL 689 CO 0.08 0.55 -0.22 -0.51 -0.31 0.00 0.00 175.10 174.69 1fhq s ILE 690 N -0.41 2.37 0.00 -0.62 1.10 -0.46 -1.50 121.20 121.68 1fhq s ILE 690 Ca 0.04 -2.17 0.00 0.00 -0.51 0.00 0.00 60.65 58.01 1fhq s ILE 690 Cb -0.11 -2.18 0.00 0.00 0.15 0.00 0.00 42.46 40.32 1fhq s ILE 690 CO 0.01 -0.24 0.00 0.61 -2.11 0.00 0.00 174.94 173.21 1fhq n GLY 691 N -0.07 2.58 3.40 1.50 0.00 -1.26 -3.14 105.19 108.20 1fhq n GLY 691 Ca -0.10 -0.04 -0.28 0.00 0.00 0.00 0.00 46.02 45.60 1fhq n GLY 691 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1fhq s PHE 692 N -0.88 2.28 -0.30 1.61 0.08 -1.09 -2.57 117.98 117.12 1fhq s PHE 692 Ca 0.00 -0.38 -0.11 0.00 0.12 0.00 0.00 56.93 56.56 1fhq s PHE 692 Cb 0.00 -1.20 -0.03 0.00 -0.57 0.00 0.00 43.02 41.22 1fhq s PHE 692 CO 0.00 0.38 0.19 0.21 -0.10 0.00 0.00 175.22 175.91 1fhq s LYS 693 N -2.25 3.68 -0.28 0.44 2.20 -0.65 -1.71 119.74 121.17 1fhq s LYS 693 Ca 0.16 -0.51 -0.29 0.00 -0.36 0.00 0.00 55.97 54.97 1fhq s LYS 693 Cb -0.09 -3.67 -0.00 0.00 -1.51 0.00 0.00 37.83 32.55 1fhq s LYS 693 CO 0.07 -0.31 1.36 0.08 -0.36 0.00 0.00 175.35 176.19 1fhq s VAL 694 N 1.71 4.05 -0.24 4.02 1.01 0.65 -1.60 120.40 130.01 1fhq s VAL 694 Ca 0.06 1.19 0.02 0.00 0.00 0.00 0.00 61.98 63.25 1fhq s VAL 694 Cb -0.17 -4.06 0.06 0.00 0.00 0.00 0.00 36.38 32.21 1fhq s VAL 694 CO 0.10 -0.43 -0.10 -0.70 0.00 0.00 0.00 175.10 173.97 1fhq s GLU 695 N 4.26 2.05 -0.39 2.72 2.12 0.43 0.22 118.70 130.11 1fhq s GLU 695 Ca 0.59 -1.14 -0.21 0.00 0.36 0.00 0.00 54.97 54.57 1fhq s GLU 695 Cb -0.18 -2.71 0.01 0.00 0.26 0.00 0.00 34.13 31.50 1fhq s GLU 695 CO 0.24 -0.54 0.68 0.42 -0.54 0.00 0.00 175.26 175.52 1fhq s ILE 696 N 1.24 4.82 -0.17 -3.70 1.01 -1.26 0.11 121.20 123.25 1fhq s ILE 696 Ca -0.06 0.52 -0.12 0.00 0.00 0.00 0.00 60.65 60.99 1fhq s ILE 696 Cb -0.19 -4.16 -0.22 0.00 0.01 0.00 0.00 42.46 37.90 1fhq s ILE 696 CO -0.06 -0.44 0.23 0.59 0.00 0.00 0.00 174.94 175.26 1fhq n ASN 697 N 6.24 2.01 -4.58 3.58 5.03 -0.84 -4.91 115.26 121.79 1fhq n ASN 697 Ca -0.00 0.27 -0.33 0.00 0.87 0.00 0.00 54.58 55.39 1fhq n ASN 697 Cb 0.48 -0.87 -0.11 0.00 -1.02 0.00 0.00 39.78 38.26 1fhq n ASN 697 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 1fhq s ASP 698 N -6.97 4.61 -0.48 6.41 1.11 -1.16 -5.05 116.67 115.13 1fhq s ASP 698 Ca -0.27 -0.06 -0.02 0.00 0.18 0.00 0.00 52.55 52.38 1fhq s ASP 698 Cb 0.07 -1.13 0.13 0.00 1.07 0.00 0.00 42.92 43.06 1fhq s ASP 698 CO 0.68 0.34 0.28 0.42 1.18 0.00 0.00 175.17 178.07 1fhq s THR 699 N -0.86 3.36 -0.71 -1.27 -4.23 -1.26 -4.44 115.64 106.23 1fhq s THR 699 Ca 0.14 -2.41 -0.23 0.00 -1.18 0.00 0.00 61.69 58.00 1fhq s THR 699 Cb -0.11 -3.27 -0.18 0.00 1.34 0.00 0.00 72.50 70.28 1fhq s THR 699 CO 0.03 -0.75 1.90 1.07 -0.54 0.00 0.00 174.62 176.32 1fhq n THR 700 N 4.16 1.64 -2.98 3.99 5.66 -1.26 -3.98 114.28 121.51 1fhq n THR 700 Ca 0.02 -1.44 -0.21 0.00 -3.05 0.00 0.00 64.05 59.36 1fhq n THR 700 Cb 0.40 -2.29 0.03 0.00 -1.55 0.00 0.00 70.33 66.93 1fhq n THR 700 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1fhq n GLY 701 N 4.61 -0.44 3.75 1.09 0.00 -1.26 -4.87 105.19 108.08 1fhq n GLY 701 Ca 0.49 0.07 -0.40 0.00 0.00 0.00 0.00 46.02 46.18 1fhq n GLY 701 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fhq s LEU 702 N -6.26 4.51 0.45 0.99 1.43 -1.26 -4.07 118.68 114.48 1fhq s LEU 702 Ca 0.29 1.56 0.29 0.00 -1.03 0.00 0.00 54.13 55.23 1fhq s LEU 702 Cb -0.13 -3.29 1.36 0.00 0.03 0.00 0.00 46.19 44.16 1fhq s LEU 702 CO 0.36 0.08 1.71 2.19 0.23 0.00 0.00 176.35 180.92 1fhq h PHE 703 N 5.16 0.42 0.00 0.29 -0.00 -1.85 -3.37 116.94 117.60 1fhq h PHE 703 Ca -0.45 0.02 0.00 0.00 -0.00 0.00 0.00 57.97 57.54 1fhq h PHE 703 Cb 1.21 -0.11 0.00 0.00 -0.00 0.00 0.00 35.95 37.04 1fhq h PHE 703 CO 0.65 -0.05 0.00 -1.71 -0.00 0.00 0.00 178.31 177.19 1fhq n ASN 704 N -4.50 -0.54 0.00 -0.68 5.15 -1.26 -4.49 115.26 108.94 1fhq n ASN 704 Ca 0.31 0.28 0.00 0.00 -0.60 0.00 0.00 54.58 54.57 1fhq n ASN 704 Cb 1.24 0.65 0.00 0.00 -0.53 0.00 0.00 39.78 41.14 1fhq n ASN 704 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 1fhq n GLU 705 N -2.96 0.00 0.00 1.20 0.28 -1.26 -4.90 120.64 113.00 1fhq n GLU 705 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1fhq n GLU 705 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1fhq n GLU 705 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1fhq n GLY 706 N 0.00 0.45 0.35 -1.84 0.00 -1.26 -4.69 105.19 98.20 1fhq n GLY 706 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 1fhq n GLY 706 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1fhq n LEU 707 N 0.00 1.01 -1.10 0.99 -0.00 -1.25 -2.92 117.00 113.73 1fhq n LEU 707 Ca 0.00 -0.49 0.15 0.00 -0.00 0.00 0.00 56.01 55.67 1fhq n LEU 707 Cb 0.00 -0.12 -0.04 0.00 -0.00 0.00 0.00 43.42 43.26 1fhq n LEU 707 CO 0.00 0.25 -0.20 0.61 -0.00 0.00 0.00 177.39 178.04 1fhq n GLY 708 N 0.83 -1.75 3.17 1.47 0.00 -1.26 -4.87 105.19 102.79 1fhq n GLY 708 Ca 0.08 -1.25 -0.10 0.00 0.00 0.00 0.00 46.02 44.75 1fhq n GLY 708 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1fhq s MET 709 N -1.94 0.26 0.12 1.61 0.23 -1.26 -4.94 119.30 113.37 1fhq s MET 709 Ca 0.00 0.93 0.00 0.00 -1.03 0.00 0.00 55.69 55.59 1fhq s MET 709 Cb 0.00 0.20 0.00 0.00 -1.53 0.00 0.00 34.83 33.50 1fhq s MET 709 CO 0.00 -0.26 0.00 1.47 -2.03 0.00 0.00 175.02 174.20 1fhq n LEU 710 N 5.35 -3.23 -3.01 0.18 -0.00 -1.26 -4.94 117.00 110.09 1fhq n LEU 710 Ca -0.08 0.97 -0.00 0.00 -0.00 0.00 0.00 56.01 56.89 1fhq n LEU 710 Cb 0.50 -0.23 -0.00 0.00 -0.00 0.00 0.00 43.42 43.68 1fhq n LEU 710 CO 0.01 -0.17 -0.43 1.67 -0.00 0.00 0.00 177.39 178.47 1fhq n GLN 711 N -0.24 -1.59 -1.84 1.47 7.27 -1.26 -4.77 117.38 116.43 1fhq n GLN 711 Ca 0.00 1.56 -0.42 0.00 0.07 0.00 0.00 57.00 58.21 1fhq n GLN 711 Cb 0.00 -2.35 -0.03 0.00 2.41 0.00 0.00 30.24 30.28 1fhq n GLN 711 CO 0.00 0.00 0.00 -1.83 0.07 0.00 0.00 177.06 175.30 1fhq s GLU 712 N -0.95 4.11 -0.43 3.69 -1.05 -1.26 -4.96 118.70 117.86 1fhq s GLU 712 Ca -0.02 2.36 0.00 0.00 -0.15 0.00 0.00 54.97 57.15 1fhq s GLU 712 Cb 0.00 -4.08 0.12 0.00 -0.44 0.00 0.00 34.13 29.73 1fhq s GLU 712 CO 0.25 -0.96 0.20 -0.65 0.95 0.00 0.00 175.26 175.06 1fhq s GLN 713 N 4.34 1.92 -0.92 -4.83 -0.21 -1.26 -5.01 119.66 113.68 1fhq s GLN 713 Ca 0.81 -2.04 -0.02 0.00 0.02 0.00 0.00 55.36 54.14 1fhq s GLN 713 Cb -0.37 -3.46 0.24 0.00 1.00 0.00 0.00 33.01 30.42 1fhq s GLN 713 CO 0.35 -1.05 0.92 0.54 -2.12 0.00 0.00 175.29 173.93 1fhq n ARG 714 N 4.15 3.00 -5.01 2.91 5.12 -1.26 -4.89 116.66 120.68 1fhq n ARG 714 Ca 0.02 -4.51 -0.28 0.00 -1.93 0.00 0.00 57.85 51.15 1fhq n ARG 714 Cb 0.40 -2.42 -0.15 0.00 -1.16 0.00 0.00 32.46 29.12 1fhq n ARG 714 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1fhq s VAL 715 N -1.71 1.73 0.02 1.55 -7.23 -1.26 -4.85 120.40 108.66 1fhq s VAL 715 Ca 0.30 -0.99 -0.30 0.00 -1.81 0.00 0.00 61.98 59.18 1fhq s VAL 715 Cb -0.03 -1.45 -0.04 0.00 0.56 0.00 0.00 36.38 35.42 1fhq s VAL 715 CO -0.08 0.44 1.05 -0.69 -0.31 0.00 0.00 175.10 175.51 1fhq s VAL 716 N -0.56 4.60 0.46 1.32 1.01 -1.26 -4.53 120.40 121.44 1fhq s VAL 716 Ca 0.08 1.88 0.08 0.00 0.00 0.00 0.00 61.98 64.02 1fhq s VAL 716 Cb -0.09 -4.20 0.01 0.00 0.00 0.00 0.00 36.38 32.11 1fhq s VAL 716 CO -0.00 0.15 0.50 -0.76 0.00 0.00 0.00 175.10 174.99 1fhq s LEU 717 N 1.00 3.34 0.24 3.92 1.02 0.40 -4.92 118.68 123.67 1fhq s LEU 717 Ca 0.54 -0.73 0.03 0.00 0.02 0.00 0.00 54.13 53.98 1fhq s LEU 717 Cb -0.24 -2.05 -0.03 0.00 0.02 0.00 0.00 46.19 43.89 1fhq s LEU 717 CO 0.28 -0.85 0.39 -0.75 0.02 0.00 0.00 176.35 175.44 1fhq s LYS 718 N -4.30 3.46 0.23 1.70 2.20 -1.26 0.10 119.74 121.88 1fhq s LYS 718 Ca 0.51 -0.57 -0.08 0.00 -0.36 0.00 0.00 55.97 55.47 1fhq s LYS 718 Cb -0.05 -2.85 -0.06 0.00 -1.51 0.00 0.00 37.83 33.35 1fhq s LYS 718 CO 0.30 0.38 0.52 -1.14 -0.36 0.00 0.00 175.35 175.06 1fhq s GLN 719 N -3.79 3.73 0.42 4.03 0.74 0.31 -4.23 119.66 120.87 1fhq s GLN 719 Ca 0.36 0.15 0.02 0.00 0.05 0.00 0.00 55.36 55.95 1fhq s GLN 719 Cb -0.10 -2.68 -0.01 0.00 1.10 0.00 0.00 33.01 31.33 1fhq s GLN 719 CO 0.30 0.31 0.08 0.25 -0.55 0.00 0.00 175.29 175.68 1fhq n THR 720 N -0.31 0.00 -0.00 -0.34 -2.24 -1.26 -4.93 114.28 105.20 1fhq n THR 720 Ca -0.00 -2.21 0.18 0.00 -2.27 0.00 0.00 64.05 59.74 1fhq n THR 720 Cb 0.53 0.65 0.65 0.00 -2.10 0.00 0.00 70.33 70.05 1fhq n THR 720 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1fhq h ALA 721 N 1.47 2.36 0.13 6.98 0.00 -1.99 -1.17 119.26 127.04 1fhq h ALA 721 Ca -0.33 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1fhq h ALA 721 Cb 1.15 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1fhq h ALA 721 CO 0.54 -0.50 -0.06 1.49 0.00 0.00 0.00 179.25 180.72 1fhq h GLU 722 N 0.09 -0.16 -0.37 0.00 4.81 -1.99 0.13 114.58 117.08 1fhq h GLU 722 Ca 0.24 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.41 1fhq h GLU 722 Cb 0.85 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.25 1fhq h GLU 722 CO -0.02 -0.09 -0.05 0.93 -0.73 0.00 0.00 179.01 179.05 1fhq h GLU 723 N -0.19 0.69 -0.51 1.92 3.07 -1.73 -2.86 114.58 114.96 1fhq h GLU 723 Ca -0.02 -0.25 0.04 0.00 -0.50 0.00 0.00 59.36 58.64 1fhq h GLU 723 Cb 0.15 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 27.98 1fhq h GLU 723 CO 0.03 0.82 0.34 -0.22 -1.40 0.00 0.00 179.01 178.58 1fhq h LYS 724 N 0.49 0.51 -0.31 2.33 3.64 -1.11 -1.56 116.57 120.57 1fhq h LYS 724 Ca 0.10 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.33 1fhq h LYS 724 Cb 0.55 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 1fhq h LYS 724 CO 0.03 0.34 -0.30 0.22 -2.27 0.00 0.00 179.45 177.46 1fhq h ASP 725 N 0.53 0.67 -0.57 4.20 1.82 -0.75 -2.89 116.42 119.43 1fhq h ASP 725 Ca 0.21 -0.26 0.03 0.00 -0.39 0.00 0.00 57.03 56.62 1fhq h ASP 725 Cb 0.19 -0.19 -0.04 0.00 0.68 0.00 0.00 39.33 39.98 1fhq h ASP 725 CO -0.06 0.94 0.33 -0.07 -1.61 0.00 0.00 179.24 178.77 1fhq h LEU 726 N 0.56 0.53 -1.30 2.28 3.38 -1.09 -1.51 115.31 118.16 1fhq h LEU 726 Ca 0.07 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 1fhq h LEU 726 Cb 0.80 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1fhq h LEU 726 CO 0.07 0.37 -0.25 1.62 0.09 0.00 0.00 178.44 180.33 1fhq h VAL 727 N 0.65 0.72 -0.02 1.22 3.04 -1.47 -2.70 116.25 117.69 1fhq h VAL 727 Ca 0.24 -1.09 0.01 0.00 -1.01 0.00 0.00 66.70 64.84 1fhq h VAL 727 Cb 0.06 1.69 -0.00 0.00 -2.01 0.00 0.00 31.29 31.02 1fhq h VAL 727 CO -0.12 0.25 0.15 0.50 -1.01 0.00 0.00 177.57 177.34 1fhq h LYS 728 N 0.00 0.00 0.28 4.17 3.64 -1.05 -2.70 116.57 120.91 1fhq h LYS 728 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1fhq h LYS 728 Cb 0.67 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.45 1fhq h LYS 728 CO 0.03 0.00 -0.47 0.87 -2.27 0.00 0.00 179.45 177.61 1fhq h LYS 729 N 0.00 -0.78 -0.01 1.90 1.57 -1.53 -3.52 116.57 114.20 1fhq h LYS 729 Ca 0.01 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1fhq h LYS 729 Cb 0.31 0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1fhq h LYS 729 CO -0.00 -0.52 0.00 1.47 -0.57 0.00 0.00 179.45 179.83