#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 1.05 0.00 1.61 0.23 -1.26 -4.85 115.26 112.05 1fhq n ASN 574 Ca 0.00 -1.43 0.00 0.00 -0.53 0.00 0.00 54.58 52.62 1fhq n ASN 574 Cb 0.00 -0.02 0.00 0.00 -2.08 0.00 0.00 39.78 37.68 1fhq n ASN 574 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1fhq n GLY 575 N 1.09 1.40 3.70 4.83 0.00 -1.26 -5.10 105.19 109.84 1fhq n GLY 575 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 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 4.14 -0.02 1.61 3.00 -1.26 -0.91 118.95 125.52 1fhq s ARG 576 Ca 0.00 -0.21 -0.01 0.00 -1.00 0.00 0.00 55.73 54.52 1fhq s ARG 576 Cb 0.00 -3.47 -0.01 0.00 0.00 0.00 0.00 34.95 31.47 1fhq s ARG 576 CO 0.00 0.19 -0.02 0.34 0.00 0.00 0.00 175.30 175.81 1fhq n PHE 577 N 3.87 0.00 -4.79 5.12 7.35 -0.90 -4.13 117.46 123.98 1fhq n PHE 577 Ca -0.15 0.00 -0.32 0.00 -0.76 0.00 0.00 57.45 56.22 1fhq n PHE 577 Cb 0.52 -0.06 -0.13 0.00 0.35 0.00 0.00 39.48 40.16 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 -5.77 2.66 -0.22 -2.13 0.20 -0.83 -1.81 118.68 110.77 1fhq s LEU 578 Ca -0.02 -0.31 0.02 0.00 0.69 0.00 0.00 54.13 54.50 1fhq s LEU 578 Cb 0.01 -1.55 0.04 0.00 -0.43 0.00 0.00 46.19 44.26 1fhq s LEU 578 CO 0.03 0.30 -0.15 -0.89 -0.29 0.00 0.00 176.35 175.35 1fhq s THR 579 N -0.83 2.10 -0.37 3.68 2.01 0.29 0.96 115.64 123.48 1fhq s THR 579 Ca 0.13 -1.29 -0.09 0.00 0.31 0.00 0.00 61.69 60.76 1fhq s THR 579 Cb -0.11 -2.06 0.04 0.00 0.01 0.00 0.00 72.50 70.38 1fhq s THR 579 CO 0.03 0.24 0.17 -0.76 -0.69 0.00 0.00 174.62 173.61 1fhq s LEU 580 N 1.20 4.61 -0.22 4.42 1.43 0.90 0.22 118.68 131.24 1fhq s LEU 580 Ca -0.02 -1.14 0.01 0.00 -1.03 0.00 0.00 54.13 51.95 1fhq s LEU 580 Cb -0.17 -1.95 0.05 0.00 0.03 0.00 0.00 46.19 44.15 1fhq s LEU 580 CO -0.09 -0.38 -0.10 -1.59 0.23 0.00 0.00 176.35 174.42 1fhq s LYS 581 N 1.46 2.08 0.22 1.70 -2.85 -0.82 0.23 119.74 121.76 1fhq s LYS 581 Ca 0.00 -0.98 -0.31 0.00 -1.00 0.00 0.00 55.97 53.68 1fhq s LYS 581 Cb -0.20 -2.56 -0.11 0.00 -2.06 0.00 0.00 37.83 32.90 1fhq s LYS 581 CO 0.04 -0.47 1.64 -2.14 0.10 0.00 0.00 175.35 174.52 1fhq s PRO 582 N 1.32 4.16 0.43 1.78 0.02 0.16 -1.52 135.00 141.34 1fhq s PRO 582 Ca -0.03 2.52 -0.09 0.00 0.02 0.00 0.00 61.00 63.42 1fhq s PRO 582 Cb -0.17 -3.09 -0.05 0.00 0.02 0.00 0.00 34.50 31.21 1fhq s PRO 582 CO -0.07 -0.67 0.78 -0.51 -0.33 0.00 0.00 177.00 176.19 1fhq s LEU 583 N 0.70 3.76 0.55 -5.54 1.43 -0.55 -1.44 118.68 117.58 1fhq s LEU 583 Ca 0.70 1.07 0.25 0.00 -1.03 0.00 0.00 54.13 55.12 1fhq s LEU 583 Cb -0.47 -3.98 1.46 0.00 0.03 0.00 0.00 46.19 43.23 1fhq s LEU 583 CO 0.36 -0.46 2.05 -0.65 0.23 0.00 0.00 176.35 177.87 1fhq h PRO 584 N 0.91 0.00 0.00 1.29 0.11 -1.88 0.16 132.00 132.60 1fhq h PRO 584 Ca -0.47 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 1fhq h PRO 584 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1fhq h PRO 584 CO 0.63 0.00 -0.03 -0.44 -0.21 0.00 0.00 178.00 177.95 1fhq h ASP 585 N 0.00 0.00 -3.08 -2.05 3.32 -1.93 -3.42 116.42 109.26 1fhq h ASP 585 Ca 0.16 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.63 1fhq h ASP 585 Cb 0.70 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.22 1fhq h ASP 585 CO -0.00 0.03 -0.33 -0.55 -1.72 0.00 0.00 179.24 176.67 1fhq s SER 586 N -5.71 6.46 0.60 6.45 0.15 0.05 -4.80 113.70 116.89 1fhq s SER 586 Ca -0.04 0.52 0.29 0.00 0.70 0.00 0.00 55.95 57.42 1fhq s SER 586 Cb 0.13 -2.06 1.48 0.00 -1.71 0.00 0.00 66.02 63.86 1fhq s SER 586 CO 0.50 0.04 1.89 0.16 1.20 0.00 0.00 173.24 177.03 1fhq h ILE 587 N 1.94 0.32 -3.43 6.45 3.07 -1.81 -3.34 117.51 120.71 1fhq h ILE 587 Ca -0.46 0.00 -0.67 0.00 1.55 0.00 0.00 64.86 65.28 1fhq h ILE 587 Cb 1.17 0.62 -0.29 0.00 -0.27 0.00 0.00 36.82 38.04 1fhq h ILE 587 CO 0.72 0.00 -0.73 -0.63 -1.05 0.00 0.00 178.15 176.46 1fhq s ILE 588 N -4.55 3.18 -0.46 0.16 1.01 -1.26 -5.05 121.20 114.23 1fhq s ILE 588 Ca -0.04 -0.71 0.03 0.00 0.00 0.00 0.00 60.65 59.92 1fhq s ILE 588 Cb 0.15 -2.51 0.15 0.00 0.01 0.00 0.00 42.46 40.25 1fhq s ILE 588 CO 0.51 0.33 0.30 0.00 0.00 0.00 0.00 174.94 176.08 1fhq s GLN 589 N 1.42 1.22 0.44 2.79 0.00 -1.25 -3.70 119.66 120.58 1fhq s GLN 589 Ca 0.04 -2.12 0.03 0.00 -0.00 0.00 0.00 55.36 53.30 1fhq s GLN 589 Cb -0.15 -2.05 -0.02 0.00 0.00 0.00 0.00 33.01 30.79 1fhq s GLN 589 CO -0.04 -1.26 0.09 -1.21 0.00 0.00 0.00 175.29 172.87 1fhq s GLU 590 N 0.11 2.01 -0.15 9.60 2.02 -0.52 -4.82 118.70 126.96 1fhq s GLU 590 Ca 0.23 -2.25 -0.01 0.00 0.02 0.00 0.00 54.97 52.97 1fhq s GLU 590 Cb -0.13 -0.90 0.04 0.00 0.10 0.00 0.00 34.13 33.24 1fhq s GLU 590 CO -0.08 -0.44 -0.05 -1.54 0.02 0.00 0.00 175.26 173.17 1fhq s SER 591 N -3.69 2.61 -0.06 -0.19 1.04 -1.26 0.36 113.70 112.51 1fhq s SER 591 Ca 0.18 -0.55 0.02 0.00 0.48 0.00 0.00 55.95 56.09 1fhq s SER 591 Cb 0.02 -0.86 -0.03 0.00 0.10 0.00 0.00 66.02 65.26 1fhq s SER 591 CO 0.11 -0.17 -0.11 -0.76 0.98 0.00 0.00 173.24 173.29 1fhq s LEU 592 N 1.68 2.95 -0.12 2.42 1.02 0.62 -4.93 118.68 122.32 1fhq s LEU 592 Ca 0.02 -0.11 0.02 0.00 0.02 0.00 0.00 54.13 54.08 1fhq s LEU 592 Cb -0.14 -1.62 0.02 0.00 0.02 0.00 0.00 46.19 44.46 1fhq s LEU 592 CO -0.08 0.35 -0.16 -1.61 0.02 0.00 0.00 176.35 174.87 1fhq s GLU 593 N -0.78 2.40 0.12 1.70 8.01 -1.26 0.31 118.70 129.20 1fhq s GLU 593 Ca 0.12 -0.62 -0.29 0.00 0.01 0.00 0.00 54.97 54.19 1fhq s GLU 593 Cb -0.11 -2.04 -0.06 0.00 -4.31 0.00 0.00 34.13 27.61 1fhq s GLU 593 CO 0.01 -0.09 0.93 0.42 0.01 0.00 0.00 175.26 176.54 1fhq s ILE 594 N 1.05 4.46 0.06 -1.63 1.01 0.27 -4.93 121.20 121.49 1fhq s ILE 594 Ca -0.04 2.01 -0.23 0.00 0.00 0.00 0.00 60.65 62.39 1fhq s ILE 594 Cb -0.15 -4.29 -0.06 0.00 0.01 0.00 0.00 42.46 37.97 1fhq s ILE 594 CO -0.03 0.36 0.70 -1.10 0.00 0.00 0.00 174.94 174.86 1fhq s GLN 595 N -0.22 4.42 0.56 2.79 1.11 -1.26 -1.97 119.66 125.10 1fhq s GLN 595 Ca 0.45 0.95 0.37 0.00 0.01 0.00 0.00 55.36 57.14 1fhq s GLN 595 Cb -0.23 -3.32 1.52 0.00 -1.01 0.00 0.00 33.01 29.97 1fhq s GLN 595 CO 0.29 0.41 1.74 -0.56 0.01 0.00 0.00 175.29 177.19 1fhq h GLN 596 N 5.23 0.00 0.00 2.91 3.07 -1.30 1.54 115.11 126.56 1fhq h GLN 596 Ca -0.46 0.00 -0.08 0.00 0.09 0.00 0.00 58.65 58.21 1fhq h GLN 596 Cb 1.21 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.75 1fhq h GLN 596 CO 0.69 0.00 -0.57 0.78 0.09 0.00 0.00 178.83 179.82 1fhq h GLY 597 N 0.00 0.00 -6.57 0.06 0.00 -1.91 -3.44 103.07 91.21 1fhq h GLY 597 Ca 0.57 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 47.30 1fhq h GLY 597 CO -0.01 0.00 0.53 0.14 0.00 0.00 0.00 176.54 177.20 1fhq s VAL 598 N -3.06 4.61 -0.13 4.60 1.01 0.53 -5.00 120.40 122.95 1fhq s VAL 598 Ca 0.03 0.99 -0.05 0.00 0.00 0.00 0.00 61.98 62.95 1fhq s VAL 598 Cb 0.07 -4.32 0.06 0.00 0.00 0.00 0.00 36.38 32.19 1fhq s VAL 598 CO 0.74 -0.58 0.27 0.21 0.00 0.00 0.00 175.10 175.75 1fhq s ASN 599 N 1.96 0.16 0.42 3.32 3.84 -1.26 -4.30 114.94 119.07 1fhq s ASN 599 Ca 0.36 0.61 -0.02 0.00 0.21 0.00 0.00 52.86 54.01 1fhq s ASN 599 Cb -0.12 0.66 -0.03 0.00 -0.55 0.00 0.00 41.25 41.22 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 3.42 -0.32 0.43 0.04 -1.26 -4.95 135.00 134.50 1fhq s PRO 600 Ca -0.02 -0.14 -0.21 0.00 0.04 0.00 0.00 61.00 60.67 1fhq s PRO 600 Cb -0.12 -2.52 -0.00 0.00 0.04 0.00 0.00 34.50 31.90 1fhq s PRO 600 CO -0.09 -0.08 0.69 0.12 0.04 0.00 0.00 177.00 177.68 1fhq s PHE 601 N -2.54 3.19 0.01 0.56 5.36 0.48 -4.86 117.98 120.19 1fhq s PHE 601 Ca 0.44 0.60 -0.19 0.00 -0.96 0.00 0.00 56.93 56.82 1fhq s PHE 601 Cb -0.10 -3.11 -0.06 0.00 -0.34 0.00 0.00 43.02 39.41 1fhq s PHE 601 CO 0.40 -0.55 0.56 -0.06 -1.46 0.00 0.00 175.22 174.11 1fhq s PHE 602 N 2.76 3.72 0.01 10.12 0.08 -1.26 0.88 117.98 134.29 1fhq s PHE 602 Ca 0.28 1.18 0.03 0.00 0.12 0.00 0.00 56.93 58.54 1fhq s PHE 602 Cb -0.14 -2.54 -0.01 0.00 -0.57 0.00 0.00 43.02 39.76 1fhq s PHE 602 CO 0.13 0.45 -0.11 0.42 -0.10 0.00 0.00 175.22 176.01 1fhq s ILE 603 N -0.52 0.84 -3.02 0.64 1.09 0.71 0.19 121.20 121.13 1fhq s ILE 603 Ca 0.29 -0.68 0.00 0.00 -1.10 0.00 0.00 60.65 59.16 1fhq s ILE 603 Cb -0.18 -0.75 0.00 0.00 -1.06 0.00 0.00 42.46 40.47 1fhq s ILE 603 CO 0.17 0.07 0.00 0.61 -0.10 0.00 0.00 174.94 175.69 1fhq n GLY 604 N 2.37 -0.62 0.07 6.18 0.00 -1.26 0.82 105.19 112.75 1fhq n GLY 604 Ca -0.16 -0.93 -0.14 0.00 0.00 0.00 0.00 46.02 44.79 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 0.03 -6.23 1.61 9.65 0.76 -3.01 114.38 117.20 1fhq h ARG 605 Ca 0.00 -0.05 -0.56 0.00 -1.10 0.00 0.00 59.98 58.27 1fhq h ARG 605 Cb 0.00 0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 28.57 1fhq h ARG 605 CO 0.00 0.96 1.01 -1.12 2.80 0.00 0.00 179.97 183.62 1fhq s SER 606 N -6.23 6.72 0.62 -3.80 0.01 -1.26 -4.66 113.70 105.10 1fhq s SER 606 Ca -0.18 1.77 0.22 0.00 1.31 0.00 0.00 55.95 59.07 1fhq s SER 606 Cb -0.02 -2.54 0.77 0.00 0.21 0.00 0.00 66.02 64.44 1fhq s SER 606 CO 0.70 -0.94 1.25 -0.33 0.41 0.00 0.00 173.24 174.33 1fhq h GLU 607 N 9.20 0.00 -1.63 12.44 3.07 -1.87 0.20 114.58 136.00 1fhq h GLU 607 Ca -0.31 0.00 0.51 0.00 -0.50 0.00 0.00 59.36 59.06 1fhq h GLU 607 Cb 1.13 0.00 -0.11 0.00 -0.84 0.00 0.00 28.75 28.93 1fhq h GLU 607 CO 0.98 0.00 1.11 -0.44 -1.40 0.00 0.00 179.01 179.26 1fhq h ASP 608 N 0.00 0.12 -2.89 1.42 3.32 -1.88 -3.33 116.42 113.17 1fhq h ASP 608 Ca 0.41 0.08 -0.56 0.00 0.02 0.00 0.00 57.03 56.98 1fhq h ASP 608 Cb 2.79 0.09 -0.03 0.00 0.22 0.00 0.00 39.33 42.39 1fhq h ASP 608 CO -0.00 -0.14 1.00 0.00 -1.72 0.00 0.00 179.24 178.38 1fhq n ASN 610 N 7.34 0.16 -4.85 0.00 2.85 0.37 -4.08 115.26 117.05 1fhq n ASN 610 Ca 0.16 1.21 -0.35 0.00 -0.11 0.00 0.00 54.58 55.48 1fhq n ASN 610 Cb 0.45 -0.59 -0.06 0.00 1.24 0.00 0.00 39.78 40.82 1fhq n ASN 610 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1fhq s LYS 612 N -1.94 2.45 -0.05 0.00 3.01 -1.26 -4.01 119.74 117.94 1fhq s LYS 612 Ca 0.37 -1.20 -0.02 0.00 -1.01 0.00 0.00 55.97 54.11 1fhq s LYS 612 Cb -0.15 -2.80 0.03 0.00 -1.01 0.00 0.00 37.83 33.90 1fhq s LYS 612 CO 0.19 -0.47 0.05 0.42 0.51 0.00 0.00 175.35 176.05 1fhq s ILE 613 N 1.15 0.00 -0.61 2.17 -1.09 -1.14 -5.04 121.20 116.65 1fhq s ILE 613 Ca -0.05 0.35 -0.18 0.00 -2.23 0.00 0.00 60.65 58.54 1fhq s ILE 613 Cb -0.18 -0.24 0.12 0.00 -1.58 0.00 0.00 42.46 40.57 1fhq s ILE 613 CO -0.07 0.19 0.68 -0.70 -1.23 0.00 0.00 174.94 173.81 1fhq s GLU 614 N 2.12 3.08 -0.22 2.79 2.12 -1.26 -3.64 118.70 123.69 1fhq s GLU 614 Ca 0.05 -1.48 -0.02 0.00 0.36 0.00 0.00 54.97 53.88 1fhq s GLU 614 Cb -0.12 -4.31 0.07 0.00 0.26 0.00 0.00 34.13 30.03 1fhq s GLU 614 CO -0.04 -1.49 0.03 0.34 -0.54 0.00 0.00 175.26 173.56 1fhq s ASP 615 N 3.55 3.30 0.45 -1.70 -1.08 -1.26 -5.01 116.67 114.92 1fhq s ASP 615 Ca 0.11 -1.04 0.35 0.00 -0.52 0.00 0.00 52.55 51.45 1fhq s ASP 615 Cb -0.24 -0.75 1.51 0.00 -1.46 0.00 0.00 42.92 41.98 1fhq s ASP 615 CO 0.04 -0.31 1.55 0.59 0.52 0.00 0.00 175.17 177.55 1fhq n ASN 616 N 4.94 0.18 0.08 -0.34 4.13 -1.26 0.18 115.26 123.18 1fhq n ASN 616 Ca -0.08 1.32 -0.08 0.00 1.68 0.00 0.00 54.58 57.42 1fhq n ASN 616 Cb 0.46 -0.65 -0.06 0.00 -1.54 0.00 0.00 39.78 37.99 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 0.09 -7.19 3.52 -0.00 -2.00 -3.46 114.38 105.34 1fhq h ARG 617 Ca 0.88 -0.12 -0.53 0.00 -0.50 0.00 0.00 59.98 59.72 1fhq h ARG 617 Cb 2.94 0.04 0.20 0.00 0.00 0.00 0.00 29.97 33.15 1fhq h ARG 617 CO -0.40 0.97 0.15 1.28 0.00 0.00 0.00 179.97 181.97 1fhq n LEU 618 N -3.52 3.17 -4.80 3.04 4.32 0.48 -4.69 117.00 115.01 1fhq n LEU 618 Ca -0.02 0.45 -0.28 0.00 -0.02 0.00 0.00 56.01 56.15 1fhq n LEU 618 Cb 0.87 -1.45 -0.05 0.00 -1.62 0.00 0.00 43.42 41.17 1fhq n LEU 618 CO 0.47 -2.23 -0.12 -0.55 -1.22 0.00 0.00 177.39 173.75 1fhq s SER 619 N -2.42 4.40 0.15 -1.43 0.15 -1.26 -4.58 113.70 108.71 1fhq s SER 619 Ca 0.67 -1.30 -0.19 0.00 0.70 0.00 0.00 55.95 55.83 1fhq s SER 619 Cb -0.25 0.10 0.05 0.00 -1.71 0.00 0.00 66.02 64.21 1fhq s SER 619 CO 0.57 -0.82 1.67 0.03 1.20 0.00 0.00 173.24 175.89 1fhq h ARG 620 N 1.18 -0.07 -1.23 5.44 -0.00 -1.91 0.91 114.38 118.69 1fhq h ARG 620 Ca -0.41 0.00 -0.60 0.00 -0.50 0.00 0.00 59.98 58.47 1fhq h ARG 620 Cb 1.29 0.02 -0.39 0.00 0.00 0.00 0.00 29.97 30.88 1fhq h ARG 620 CO 0.67 -0.05 -0.40 0.28 0.00 0.00 0.00 179.97 180.48 1fhq n VAL 621 N -5.30 2.70 -0.32 2.04 0.31 -1.26 -4.03 118.33 112.47 1fhq n VAL 621 Ca 0.00 -4.39 0.27 0.00 -0.01 0.00 0.00 64.34 60.21 1fhq n VAL 621 Cb 0.22 -1.21 0.46 0.00 -0.91 0.00 0.00 33.84 32.40 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 -0.62 0.49 0.00 3.52 -0.00 -0.00 -4.12 115.22 114.50 1fhq n HIS 622 Ca 0.45 0.50 0.00 0.00 0.46 0.00 0.00 57.72 59.13 1fhq n HIS 622 Cb 0.73 -0.89 0.00 0.00 -0.12 0.00 0.00 29.99 29.70 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 0.09 -0.24 0.00 -0.71 0.83 0.25 117.98 116.20 1fhq s PHE 624 Ca 0.00 -0.21 -0.09 0.00 -1.04 0.00 0.00 56.93 55.59 1fhq s PHE 624 Cb 0.00 -0.08 -0.04 0.00 -1.21 0.00 0.00 43.02 41.69 1fhq s PHE 624 CO 0.00 -0.24 0.13 0.42 -1.34 0.00 0.00 175.22 174.19 1fhq s ILE 625 N -1.30 5.02 0.14 -4.49 1.01 0.25 0.14 121.20 121.98 1fhq s ILE 625 Ca -0.14 0.07 0.06 0.00 0.00 0.00 0.00 60.65 60.64 1fhq s ILE 625 Cb -0.08 -3.35 -0.04 0.00 0.01 0.00 0.00 42.46 39.01 1fhq s ILE 625 CO 0.01 0.34 -0.00 0.12 0.00 0.00 0.00 174.94 175.40 1fhq s PHE 626 N 1.25 2.90 -0.08 3.97 5.36 0.61 0.18 117.98 132.18 1fhq s PHE 626 Ca 0.06 -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 -0.02 0.00 -0.34 0.00 0.00 43.02 41.07 1fhq s PHE 626 CO 0.05 0.49 -0.17 0.21 -1.46 0.00 0.00 175.22 174.35 1fhq s LYS 627 N -2.66 2.83 0.09 10.12 2.20 -1.26 0.27 119.74 131.33 1fhq s LYS 627 Ca 0.26 -0.76 0.02 0.00 -0.36 0.00 0.00 55.97 55.14 1fhq s LYS 627 Cb -0.10 -2.40 -0.04 0.00 -1.51 0.00 0.00 37.83 33.78 1fhq s LYS 627 CO 0.18 0.41 -0.07 0.21 -0.36 0.00 0.00 175.35 175.72 1fhq s LYS 628 N -0.18 0.82 -0.08 4.03 2.36 0.13 -4.95 119.74 121.86 1fhq s LYS 628 Ca -0.01 -1.27 -0.30 0.00 -2.55 0.00 0.00 55.97 51.85 1fhq s LYS 628 Cb -0.13 -0.26 -0.02 0.00 -1.05 0.00 0.00 37.83 36.36 1fhq s LYS 628 CO 0.03 0.00 1.12 0.50 1.55 0.00 0.00 175.35 178.56 1fhq s ARG 629 N -3.50 4.38 0.33 4.03 6.06 -1.26 0.13 118.95 129.12 1fhq s ARG 629 Ca 0.09 1.56 -0.29 0.00 -2.50 0.00 0.00 55.73 54.59 1fhq s ARG 629 Cb 0.03 -3.55 -0.11 0.00 0.06 0.00 0.00 34.95 31.37 1fhq s ARG 629 CO -0.04 -0.40 1.54 -1.58 -2.50 0.00 0.00 175.30 172.33 1fhq s HIS 630 N 2.15 2.68 -0.21 5.12 5.65 1.02 -4.82 115.29 126.88 1fhq s HIS 630 Ca 0.53 0.96 -0.24 0.00 0.25 0.00 0.00 55.06 56.56 1fhq s HIS 630 Cb -0.22 -4.04 -0.01 0.00 -1.18 0.00 0.00 32.58 27.13 1fhq s HIS 630 CO 0.20 -3.30 0.78 0.00 -0.65 0.00 0.00 174.74 171.77 1fhq s ALA 631 N -0.51 3.58 0.39 1.58 0.00 -1.00 -3.63 121.76 122.18 1fhq s ALA 631 Ca 0.58 -0.12 0.08 0.00 0.00 0.00 0.00 51.96 52.50 1fhq s ALA 631 Cb -0.47 -3.20 -0.04 0.00 0.00 0.00 0.00 23.12 19.41 1fhq s ALA 631 CO 0.55 -0.76 0.22 0.54 0.00 0.00 0.00 175.76 176.31 1fhq s VAL 632 N 2.43 2.64 -0.58 0.00 0.11 0.15 -4.72 120.40 120.42 1fhq s VAL 632 Ca 0.34 -1.60 0.03 0.00 -2.93 0.00 0.00 61.98 57.82 1fhq s VAL 632 Cb -0.16 -3.00 0.39 0.00 -1.53 0.00 0.00 36.38 32.09 1fhq s VAL 632 CO 0.10 -0.06 1.40 0.61 -3.33 0.00 0.00 175.10 173.81 1fhq n GLY 633 N -1.29 5.85 2.73 6.54 0.00 -1.26 -4.97 105.19 112.79 1fhq n GLY 633 Ca -0.01 -2.68 -0.01 0.00 0.00 0.00 0.00 46.02 43.33 1fhq n GLY 633 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1fhq n LYS 634 N -0.48 -3.53 -3.56 1.61 4.76 -1.26 -4.94 118.16 110.76 1fhq n LYS 634 Ca 0.43 2.81 -0.39 0.00 -2.87 0.00 0.00 58.31 58.29 1fhq n LYS 634 Cb 0.51 -5.06 -0.05 0.00 -1.84 0.00 0.00 35.03 28.59 1fhq n LYS 634 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1fhq s SER 635 N -1.42 6.26 -1.04 4.39 1.04 -1.26 -4.94 113.70 116.75 1fhq s SER 635 Ca -0.05 -3.52 -0.08 0.00 0.48 0.00 0.00 55.95 52.78 1fhq s SER 635 Cb 0.00 -1.99 -0.09 0.00 0.10 0.00 0.00 66.02 64.05 1fhq s SER 635 CO 0.74 -0.26 3.02 0.80 0.98 0.00 0.00 173.24 178.53 1fhq n MET 636 N 2.66 3.30 0.00 4.02 0.00 -1.26 -4.74 117.12 121.10 1fhq n MET 636 Ca 0.20 -2.12 0.00 0.00 0.00 0.00 0.00 57.70 55.77 1fhq n MET 636 Cb 0.38 -2.50 0.00 0.00 0.00 0.00 0.00 33.22 31.11 1fhq n MET 636 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 175.97 176.95 1fhq n TYR 637 N 2.71 0.00 -3.73 1.12 9.36 -1.26 -5.10 117.16 120.26 1fhq n TYR 637 Ca 0.64 0.00 -0.37 0.00 3.32 0.00 0.00 57.90 61.49 1fhq n TYR 637 Cb 0.44 0.00 -0.11 0.00 -0.63 0.00 0.00 39.34 39.05 1fhq n TYR 637 CO 0.00 0.00 0.00 -1.21 0.22 0.00 0.00 176.86 175.87 1fhq s GLU 638 N 2.86 2.11 0.10 2.98 2.02 -1.26 -5.06 118.70 122.44 1fhq s GLU 638 Ca 0.00 -1.80 0.03 0.00 0.02 0.00 0.00 54.97 53.22 1fhq s GLU 638 Cb 0.00 -3.65 -0.04 0.00 0.10 0.00 0.00 34.13 30.54 1fhq s GLU 638 CO 0.00 -1.10 -0.08 -1.54 0.02 0.00 0.00 175.26 172.56 1fhq s SER 639 N 2.00 1.36 0.00 -0.19 1.04 -1.26 -5.14 113.70 111.51 1fhq s SER 639 Ca 0.08 -0.92 0.00 0.00 0.48 0.00 0.00 55.95 55.59 1fhq s SER 639 Cb -0.23 0.04 0.00 0.00 0.10 0.00 0.00 66.02 65.93 1fhq s SER 639 CO -0.03 -0.36 0.00 -2.65 0.98 0.00 0.00 173.24 171.18 1fhq n PRO 640 N 0.20 0.00 -3.15 4.02 -0.02 -1.26 -4.86 135.00 129.93 1fhq n PRO 640 Ca -0.14 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.39 1fhq n PRO 640 Cb 0.59 0.00 -0.00 0.00 -0.02 0.00 0.00 33.50 34.07 1fhq n PRO 640 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1fhq s ALA 641 N 0.00 -2.50 -0.02 3.55 0.00 -1.26 -5.01 121.76 116.53 1fhq s ALA 641 Ca 0.00 1.40 0.07 0.00 0.00 0.00 0.00 51.96 53.43 1fhq s ALA 641 Cb 0.00 -2.41 0.12 0.00 0.00 0.00 0.00 23.12 20.83 1fhq s ALA 641 CO 0.00 -1.63 1.05 1.04 0.00 0.00 0.00 175.76 176.22 1fhq n GLN 642 N 5.41 0.16 0.00 0.00 6.02 -1.26 -4.78 117.38 122.93 1fhq n GLN 642 Ca 0.02 -1.40 0.00 0.00 -0.01 0.00 0.00 57.00 55.62 1fhq n GLN 642 Cb 0.53 -0.53 0.00 0.00 1.02 0.00 0.00 30.24 31.26 1fhq n GLN 642 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1fhq n GLY 643 N -0.07 -0.01 0.00 1.08 0.00 -1.24 0.30 105.19 105.26 1fhq n GLY 643 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.14 0.00 -4.07 0.99 4.32 -1.26 -4.52 117.00 112.32 1fhq n LEU 644 Ca 0.00 0.00 -0.31 0.00 -0.02 0.00 0.00 56.01 55.68 1fhq n LEU 644 Cb 0.13 0.00 -0.16 0.00 -1.62 0.00 0.00 43.42 41.77 1fhq n LEU 644 CO 0.00 0.00 -0.50 -1.81 -1.22 0.00 0.00 177.39 173.86 1fhq s ASP 645 N -1.00 2.78 0.24 -1.43 1.01 -0.77 0.34 116.67 117.83 1fhq s ASP 645 Ca 0.00 -0.52 0.02 0.00 0.71 0.00 0.00 52.55 52.76 1fhq s ASP 645 Cb 0.00 -1.25 -0.04 0.00 1.01 0.00 0.00 42.92 42.64 1fhq s ASP 645 CO 0.00 -0.01 0.40 -0.62 0.21 0.00 0.00 175.17 175.15 1fhq s ASP 646 N 1.26 6.34 -0.24 0.27 -1.08 0.36 -4.35 116.67 119.23 1fhq s ASP 646 Ca 0.01 0.28 -0.06 0.00 -0.52 0.00 0.00 52.55 52.26 1fhq s ASP 646 Cb -0.14 -1.96 -0.02 0.00 -1.46 0.00 0.00 42.92 39.35 1fhq s ASP 646 CO -0.08 -0.09 0.03 0.27 0.52 0.00 0.00 175.17 175.81 1fhq s ILE 647 N -1.98 3.92 -0.15 4.11 -4.36 -1.26 0.20 121.20 121.67 1fhq s ILE 647 Ca 0.37 -0.34 -0.06 0.00 -0.26 0.00 0.00 60.65 60.37 1fhq s ILE 647 Cb -0.10 -2.83 -0.04 0.00 1.25 0.00 0.00 42.46 40.74 1fhq s ILE 647 CO 0.30 0.35 0.04 0.26 0.24 0.00 0.00 174.94 176.13 1fhq s TRP 648 N 1.55 3.22 -0.30 1.37 0.52 0.77 -2.77 118.94 123.30 1fhq s TRP 648 Ca 0.06 0.06 -0.21 0.00 0.02 0.00 0.00 56.10 56.03 1fhq s TRP 648 Cb -0.15 -1.99 -0.01 0.00 -1.15 0.00 0.00 33.47 30.17 1fhq s TRP 648 CO 0.01 0.22 0.64 -0.47 0.02 0.00 0.00 176.95 177.37 1fhq s TYR 649 N 0.03 3.22 -0.36 -1.98 5.04 0.83 0.23 117.35 124.36 1fhq s TYR 649 Ca 0.04 0.63 -0.04 0.00 -2.44 0.00 0.00 57.07 55.26 1fhq s TYR 649 Cb -0.12 -2.99 0.07 0.00 0.35 0.00 0.00 41.96 39.27 1fhq s TYR 649 CO 0.01 -0.47 0.12 0.00 -1.34 0.00 0.00 175.55 173.87 1fhq s HIS 651 N 1.26 3.45 0.00 0.00 2.46 -0.69 -0.12 115.29 121.65 1fhq s HIS 651 Ca 0.01 1.37 0.00 0.00 0.47 0.00 0.00 55.06 56.91 1fhq s HIS 651 Cb -0.21 -3.41 0.00 0.00 -0.13 0.00 0.00 32.58 28.83 1fhq s HIS 651 CO -0.01 -1.19 0.73 0.25 -2.47 0.00 0.00 174.74 172.05 1fhq n THR 652 N 3.30 0.47 -3.51 0.89 -2.24 -0.59 -0.43 114.28 112.18 1fhq n THR 652 Ca 0.07 -0.48 -0.37 0.00 -2.27 0.00 0.00 64.05 61.00 1fhq n THR 652 Cb 0.46 0.77 -0.06 0.00 -2.10 0.00 0.00 70.33 69.40 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 -0.47 2.44 0.42 3.38 0.00 0.81 -4.53 107.32 109.36 1fhq s GLY 653 Ca 0.00 -0.26 0.22 0.00 0.00 0.00 0.00 44.72 44.68 1fhq s GLY 653 CO 0.00 0.05 1.81 -0.84 0.00 0.00 0.00 173.10 174.12 1fhq h THR 654 N 3.34 0.67 0.00 0.90 2.02 -1.90 -2.84 112.91 115.10 1fhq h THR 654 Ca -0.50 -1.23 0.00 0.00 0.77 0.00 0.00 66.41 65.45 1fhq h THR 654 Cb 1.21 1.80 0.00 0.00 -1.74 0.00 0.00 68.15 69.42 1fhq h THR 654 CO 0.63 0.27 0.00 -3.20 0.37 0.00 0.00 175.52 173.59 1fhq n ASN 655 N -3.46 0.00 -1.16 4.18 2.85 -1.26 -4.87 115.26 111.53 1fhq n ASN 655 Ca -0.00 -1.24 0.06 0.00 -0.11 0.00 0.00 54.58 53.29 1fhq n ASN 655 Cb 0.45 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.43 1fhq n ASN 655 CO 0.00 0.00 0.00 0.55 -2.11 0.00 0.00 177.26 175.70 1fhq n VAL 656 N -0.76 -1.00 -4.34 3.44 3.14 -1.08 -4.89 118.33 112.84 1fhq n VAL 656 Ca 0.11 0.66 -0.17 0.00 -2.96 0.00 0.00 64.34 61.97 1fhq n VAL 656 Cb 0.05 -1.05 -0.10 0.00 -1.06 0.00 0.00 33.84 31.68 1fhq n VAL 656 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1fhq s SER 657 N -5.69 1.92 -0.09 6.55 1.04 -0.65 -4.61 113.70 112.17 1fhq s SER 657 Ca 0.00 -1.21 -0.01 0.00 0.48 0.00 0.00 55.95 55.21 1fhq s SER 657 Cb 0.00 -0.01 0.03 0.00 0.10 0.00 0.00 66.02 66.14 1fhq s SER 657 CO 0.00 -0.49 -0.04 -0.31 0.98 0.00 0.00 173.24 173.37 1fhq s TYR 658 N -3.38 1.13 -0.42 5.02 1.51 0.30 -1.08 117.35 120.43 1fhq s TYR 658 Ca 0.28 -0.48 -0.07 0.00 -1.01 0.00 0.00 57.07 55.79 1fhq s TYR 658 Cb 0.05 -1.04 0.09 0.00 -0.11 0.00 0.00 41.96 40.96 1fhq s TYR 658 CO 0.09 -0.42 0.25 -1.17 -1.11 0.00 0.00 175.55 173.18 1fhq s LEU 659 N 1.77 5.20 0.00 -1.29 0.20 -0.82 0.18 118.68 123.91 1fhq s LEU 659 Ca 0.04 -1.69 0.00 0.00 0.69 0.00 0.00 54.13 53.17 1fhq s LEU 659 Cb -0.13 -1.94 0.00 0.00 -0.43 0.00 0.00 46.19 43.70 1fhq s LEU 659 CO -0.06 -0.55 0.00 -3.20 -0.29 0.00 0.00 176.35 172.24 1fhq n ASN 660 N 4.82 0.00 -0.60 3.68 2.85 -1.19 -1.65 115.26 123.18 1fhq n ASN 660 Ca -0.08 0.00 -0.01 0.00 -0.11 0.00 0.00 54.58 54.38 1fhq n ASN 660 Cb 0.42 0.00 -0.01 0.00 1.24 0.00 0.00 39.78 41.43 1fhq n ASN 660 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1fhq n ASN 661 N 1.60 -0.11 -4.36 1.20 3.02 -1.26 -5.12 115.26 110.24 1fhq n ASN 661 Ca 0.00 -1.30 -0.31 0.00 -0.03 0.00 0.00 54.58 52.94 1fhq n ASN 661 Cb 0.00 0.01 -0.15 0.00 -0.61 0.00 0.00 39.78 39.03 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 -0.33 3.30 0.25 6.41 -0.87 -0.66 -5.12 114.94 117.92 1fhq s ASN 662 Ca 0.01 -0.43 -0.28 0.00 -1.57 0.00 0.00 52.86 50.59 1fhq s ASN 662 Cb 0.01 -0.44 -0.09 0.00 -0.02 0.00 0.00 41.25 40.70 1fhq s ASN 662 CO -0.00 0.31 0.91 -0.13 -2.57 0.00 0.00 177.10 175.62 1fhq s ARG 663 N -0.78 4.72 -0.39 -0.60 0.52 -1.26 -1.94 118.95 119.21 1fhq s ARG 663 Ca 0.11 1.38 0.01 0.00 -0.52 0.00 0.00 55.73 56.71 1fhq s ARG 663 Cb -0.10 -3.13 0.12 0.00 0.52 0.00 0.00 34.95 32.36 1fhq s ARG 663 CO 0.00 0.45 0.18 -1.64 0.02 0.00 0.00 175.30 174.31 1fhq s MET 664 N -1.45 1.16 0.25 3.54 -1.94 -0.24 -4.80 119.30 115.81 1fhq s MET 664 Ca 0.43 -1.73 -0.16 0.00 -1.71 0.00 0.00 55.69 52.52 1fhq s MET 664 Cb -0.23 -2.36 -0.08 0.00 2.01 0.00 0.00 34.83 34.17 1fhq s MET 664 CO 0.28 -1.08 0.68 0.96 -0.01 0.00 0.00 175.02 175.85 1fhq s ILE 665 N 0.78 4.70 -0.80 2.53 -4.36 -1.26 -1.64 121.20 121.14 1fhq s ILE 665 Ca 0.14 1.00 -0.27 0.00 -0.26 0.00 0.00 60.65 61.26 1fhq s ILE 665 Cb -0.22 -3.72 -0.17 0.00 1.25 0.00 0.00 42.46 39.60 1fhq s ILE 665 CO -0.08 0.04 2.53 1.67 0.24 0.00 0.00 174.94 179.33 1fhq n GLN 666 N 0.24 0.41 0.00 0.37 7.27 -1.19 -1.72 117.38 122.76 1fhq n GLN 666 Ca -0.00 -0.07 0.00 0.00 0.07 0.00 0.00 57.00 57.00 1fhq n GLN 666 Cb 0.52 -2.31 0.00 0.00 2.41 0.00 0.00 30.24 30.86 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 6.25 1.38 3.31 1.69 0.00 0.42 -4.91 105.19 113.33 1fhq n GLY 667 Ca 0.54 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.37 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 -1.38 1.62 -0.02 2.61 -4.23 -0.70 -2.00 115.64 111.54 1fhq s THR 668 Ca 0.00 -1.98 0.07 0.00 -1.18 0.00 0.00 61.69 58.60 1fhq s THR 668 Cb 0.00 -1.83 -0.02 0.00 1.34 0.00 0.00 72.50 71.99 1fhq s THR 668 CO 0.00 -0.47 -0.22 -0.75 -0.54 0.00 0.00 174.62 172.64 1fhq s LYS 669 N -3.12 1.85 -0.04 3.99 2.20 0.30 -1.71 119.74 123.22 1fhq s LYS 669 Ca 0.16 -0.78 -0.07 0.00 -0.36 0.00 0.00 55.97 54.92 1fhq s LYS 669 Cb -0.03 -1.75 0.01 0.00 -1.51 0.00 0.00 37.83 34.55 1fhq s LYS 669 CO 0.05 0.45 0.17 0.12 -0.36 0.00 0.00 175.35 175.78 1fhq s PHE 670 N -0.44 -0.12 0.31 4.03 5.36 0.27 0.11 117.98 127.51 1fhq s PHE 670 Ca 0.06 0.27 -0.28 0.00 -0.96 0.00 0.00 56.93 56.02 1fhq s PHE 670 Cb -0.09 0.03 -0.09 0.00 -0.34 0.00 0.00 43.02 42.52 1fhq s PHE 670 CO -0.00 -0.17 1.12 -1.17 -1.46 0.00 0.00 175.22 173.54 1fhq s LEU 671 N -0.45 4.46 -0.36 6.12 1.98 -1.26 0.29 118.68 129.46 1fhq s LEU 671 Ca -0.05 2.29 -0.05 0.00 -2.89 0.00 0.00 54.13 53.42 1fhq s LEU 671 Cb -0.04 -3.72 0.06 0.00 0.66 0.00 0.00 46.19 43.16 1fhq s LEU 671 CO 0.01 -0.26 0.14 -0.76 -1.89 0.00 0.00 176.35 173.58 1fhq s LEU 672 N -1.70 4.62 0.15 -0.68 1.43 -1.12 -4.79 118.68 116.60 1fhq s LEU 672 Ca 0.47 -1.43 -0.23 0.00 -1.03 0.00 0.00 54.13 51.91 1fhq s LEU 672 Cb -0.32 -1.86 -0.08 0.00 0.03 0.00 0.00 46.19 43.97 1fhq s LEU 672 CO 0.41 -0.41 0.72 -1.10 0.23 0.00 0.00 176.35 176.20 1fhq s GLN 673 N 1.33 4.45 -0.41 1.70 -0.21 -1.15 -4.22 119.66 121.15 1fhq s GLN 673 Ca 0.01 1.03 -0.43 0.00 0.02 0.00 0.00 55.36 55.99 1fhq s GLN 673 Cb -0.21 -3.22 -0.18 0.00 1.00 0.00 0.00 33.01 30.41 1fhq s GLN 673 CO 0.01 0.57 1.77 -0.40 -2.12 0.00 0.00 175.29 175.11 1fhq n ASP 674 N 1.53 1.65 -0.24 5.90 5.68 -1.26 -1.00 116.55 128.81 1fhq n ASP 674 Ca -0.06 1.03 0.00 0.00 -0.50 0.00 0.00 54.79 55.26 1fhq n ASP 674 Cb 0.49 -1.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.47 1fhq n ASP 674 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1fhq n GLY 675 N 4.70 0.99 3.60 6.12 0.00 0.48 -4.95 105.19 116.14 1fhq n GLY 675 Ca 0.33 -0.40 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 1fhq n GLY 675 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1fhq s ASP 676 N -2.56 6.36 -0.32 1.61 -1.08 -0.17 -4.78 116.67 115.73 1fhq s ASP 676 Ca 0.00 0.36 -0.16 0.00 -0.52 0.00 0.00 52.55 52.24 1fhq s ASP 676 Cb 0.00 -2.26 -0.02 0.00 -1.46 0.00 0.00 42.92 39.19 1fhq s ASP 676 CO 0.00 -0.28 0.40 -0.70 0.52 0.00 0.00 175.17 175.10 1fhq s GLU 677 N 2.25 3.71 -0.25 4.34 2.56 -1.26 -0.66 118.70 129.39 1fhq s GLU 677 Ca 0.19 -0.23 -0.08 0.00 0.00 0.00 0.00 54.97 54.85 1fhq s GLU 677 Cb -0.16 -3.76 -0.03 0.00 2.00 0.00 0.00 34.13 32.18 1fhq s GLU 677 CO 0.10 -0.48 0.08 0.42 -0.56 0.00 0.00 175.26 174.83 1fhq s ILE 678 N 2.11 4.47 -0.32 -3.70 1.01 -0.33 -3.14 121.20 121.29 1fhq s ILE 678 Ca 0.14 -0.12 -0.26 0.00 0.00 0.00 0.00 60.65 60.42 1fhq s ILE 678 Cb -0.16 -3.09 0.01 0.00 0.01 0.00 0.00 42.46 39.23 1fhq s ILE 678 CO 0.11 0.34 0.90 -0.54 0.00 0.00 0.00 174.94 175.75 1fhq s LYS 679 N 1.54 3.96 -0.08 2.79 1.02 0.46 -2.38 119.74 127.06 1fhq s LYS 679 Ca 0.06 0.72 0.16 0.00 0.02 0.00 0.00 55.97 56.94 1fhq s LYS 679 Cb -0.15 -3.75 -0.23 0.00 -0.52 0.00 0.00 37.83 33.19 1fhq s LYS 679 CO 0.04 -0.80 0.45 -0.89 -0.92 0.00 0.00 175.35 173.24 1fhq n ILE 680 N 5.72 1.32 -3.69 2.17 5.41 -0.45 0.11 119.36 129.96 1fhq n ILE 680 Ca 0.07 -0.78 -0.10 0.00 1.00 0.00 0.00 62.75 62.94 1fhq n ILE 680 Cb 0.48 -0.68 -0.10 0.00 -0.71 0.00 0.00 39.64 38.63 1fhq n ILE 680 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1fhq s ILE 681 N -2.69 -0.02 -0.05 1.39 -1.09 -1.24 -4.60 121.20 112.90 1fhq s ILE 681 Ca -0.07 0.06 -0.00 0.00 -2.23 0.00 0.00 60.65 58.42 1fhq s ILE 681 Cb 0.08 -0.69 0.03 0.00 -1.58 0.00 0.00 42.46 40.29 1fhq s ILE 681 CO 0.83 0.03 -0.01 0.86 -1.23 0.00 0.00 174.94 175.42 1fhq s TRP 682 N 1.32 0.56 -0.16 3.97 -0.00 -1.24 -0.84 118.94 122.55 1fhq s TRP 682 Ca -0.09 -0.11 0.00 0.00 -0.00 0.00 0.00 56.10 55.91 1fhq s TRP 682 Cb -0.07 -0.64 0.03 0.00 -0.00 0.00 0.00 33.47 32.79 1fhq s TRP 682 CO -0.13 -0.23 -0.12 -0.51 -0.00 0.00 0.00 176.95 175.97 1fhq s ASP 683 N 1.45 2.84 0.08 5.86 1.11 0.02 -4.96 116.67 123.05 1fhq s ASP 683 Ca -0.03 -0.59 -0.19 0.00 0.18 0.00 0.00 52.55 51.92 1fhq s ASP 683 Cb -0.13 -1.14 -0.09 0.00 1.07 0.00 0.00 42.92 42.63 1fhq s ASP 683 CO -0.03 -0.10 1.51 0.11 1.18 0.00 0.00 175.17 177.85 1fhq h LYS 684 N 8.05 0.40 0.24 8.23 1.57 -1.96 0.61 116.57 133.72 1fhq h LYS 684 Ca -0.33 -0.13 -0.33 0.00 -1.87 0.00 0.00 60.65 57.99 1fhq h LYS 684 Cb 1.12 -0.04 0.04 0.00 0.08 0.00 0.00 32.23 33.43 1fhq h LYS 684 CO 0.49 0.59 -1.45 -0.91 -0.57 0.00 0.00 179.45 177.60 1fhq h ASN 685 N 0.17 0.80 1.57 0.86 2.35 -1.99 -3.28 115.58 116.06 1fhq h ASN 685 Ca 0.06 -0.92 0.00 0.00 -0.55 0.00 0.00 56.30 54.89 1fhq h ASN 685 Cb 0.41 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.52 1fhq h ASN 685 CO 0.01 1.70 0.00 -1.13 -1.65 0.00 0.00 177.43 176.36 1fhq h ASN 686 N 0.10 0.00 -1.83 5.81 -1.24 -1.98 -3.46 115.58 112.98 1fhq h ASN 686 Ca -0.26 0.00 -0.40 0.00 0.71 0.00 0.00 56.30 56.36 1fhq h ASN 686 Cb 2.12 0.00 -0.11 0.00 0.73 0.00 0.00 38.32 41.07 1fhq h ASN 686 CO 0.26 0.00 -0.41 0.29 -1.29 0.00 0.00 177.43 176.27 1fhq n LYS 687 N -2.65 -1.55 -3.29 6.67 4.01 0.21 -4.93 118.16 116.63 1fhq n LYS 687 Ca 0.04 1.08 -0.42 0.00 -0.51 0.00 0.00 58.31 58.50 1fhq n LYS 687 Cb 0.44 -5.55 -0.08 0.00 -0.51 0.00 0.00 35.03 29.33 1fhq n LYS 687 CO 0.00 0.00 0.00 0.12 -1.11 0.00 0.00 177.40 176.41 1fhq s PHE 688 N -2.77 3.17 -0.13 2.13 5.36 -1.14 -4.88 117.98 119.72 1fhq s PHE 688 Ca 0.00 -0.02 0.01 0.00 -0.96 0.00 0.00 56.93 55.95 1fhq s PHE 688 Cb 0.00 -2.89 0.02 0.00 -0.34 0.00 0.00 43.02 39.81 1fhq s PHE 688 CO 0.00 -0.58 -0.13 0.14 -1.46 0.00 0.00 175.22 173.19 1fhq s VAL 689 N 2.27 1.47 -0.12 3.12 -7.23 -1.26 -0.80 120.40 117.86 1fhq s VAL 689 Ca 0.16 -0.58 0.01 0.00 -1.81 0.00 0.00 61.98 59.76 1fhq s VAL 689 Cb -0.16 -1.38 -0.01 0.00 0.56 0.00 0.00 36.38 35.38 1fhq s VAL 689 CO 0.13 0.44 -0.15 -0.51 -0.31 0.00 0.00 175.10 174.71 1fhq s ILE 690 N 1.41 2.91 -0.15 -0.62 2.07 -0.02 -3.89 121.20 122.90 1fhq s ILE 690 Ca 0.02 -0.72 -0.13 0.00 -1.41 0.00 0.00 60.65 58.41 1fhq s ILE 690 Cb -0.13 -2.20 0.04 0.00 0.13 0.00 0.00 42.46 40.30 1fhq s ILE 690 CO -0.08 0.54 0.40 -0.83 -1.91 0.00 0.00 174.94 173.06 1fhq s GLY 691 N 0.21 -0.30 -0.02 1.50 0.00 -1.26 -1.33 107.32 106.11 1fhq s GLY 691 Ca -0.09 1.19 0.05 0.00 0.00 0.00 0.00 44.72 45.86 1fhq s GLY 691 CO 0.05 1.07 -0.16 -1.36 0.00 0.00 0.00 173.10 172.71 1fhq s PHE 692 N 0.37 2.65 -0.29 1.90 0.08 -1.00 -1.48 117.98 120.21 1fhq s PHE 692 Ca -0.01 -0.20 -0.09 0.00 0.12 0.00 0.00 56.93 56.75 1fhq s PHE 692 Cb -0.04 -1.58 -0.02 0.00 -0.57 0.00 0.00 43.02 40.82 1fhq s PHE 692 CO -0.01 0.20 0.14 0.21 -0.10 0.00 0.00 175.22 175.66 1fhq s LYS 693 N -0.95 3.57 -0.34 0.44 2.20 -0.58 -1.19 119.74 122.89 1fhq s LYS 693 Ca 0.13 -0.56 -0.29 0.00 -0.36 0.00 0.00 55.97 54.88 1fhq s LYS 693 Cb -0.11 -3.53 0.02 0.00 -1.51 0.00 0.00 37.83 32.70 1fhq s LYS 693 CO 0.02 -0.30 1.15 0.08 -0.36 0.00 0.00 175.35 175.94 1fhq s VAL 694 N 1.65 4.35 -0.23 4.02 1.01 0.16 -1.94 120.40 129.43 1fhq s VAL 694 Ca 0.06 1.52 0.01 0.00 0.00 0.00 0.00 61.98 63.57 1fhq s VAL 694 Cb -0.16 -4.38 0.06 0.00 0.00 0.00 0.00 36.38 31.89 1fhq s VAL 694 CO 0.07 -0.58 -0.07 -1.61 0.00 0.00 0.00 175.10 172.91 1fhq s GLU 695 N 3.95 1.74 -0.32 2.72 2.02 0.60 0.18 118.70 129.59 1fhq s GLU 695 Ca 0.49 -0.96 -0.22 0.00 0.02 0.00 0.00 54.97 54.29 1fhq s GLU 695 Cb -0.12 -2.55 -0.00 0.00 0.10 0.00 0.00 34.13 31.56 1fhq s GLU 695 CO 0.20 -0.55 0.74 0.42 0.02 0.00 0.00 175.26 176.09 1fhq s ILE 696 N 1.39 4.83 -0.20 -1.63 1.01 -1.26 0.10 121.20 125.43 1fhq s ILE 696 Ca -0.05 1.01 -0.09 0.00 0.00 0.00 0.00 60.65 61.53 1fhq s ILE 696 Cb -0.18 -4.11 -0.20 0.00 0.01 0.00 0.00 42.46 37.98 1fhq s ILE 696 CO -0.07 -0.25 0.05 0.59 0.00 0.00 0.00 174.94 175.26 1fhq n ASN 697 N 6.14 2.00 -4.57 3.58 5.03 -0.75 -4.93 115.26 121.76 1fhq n ASN 697 Ca 0.02 0.19 -0.33 0.00 0.87 0.00 0.00 54.58 55.32 1fhq n ASN 697 Cb 0.48 -0.76 -0.11 0.00 -1.02 0.00 0.00 39.78 38.37 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 -6.95 4.57 -0.49 6.41 1.11 -1.09 -5.06 116.67 115.16 1fhq s ASP 698 Ca -0.30 -0.07 -0.03 0.00 0.18 0.00 0.00 52.55 52.34 1fhq s ASP 698 Cb 0.09 -1.11 0.13 0.00 1.07 0.00 0.00 42.92 43.09 1fhq s ASP 698 CO 0.64 0.34 0.29 0.42 1.18 0.00 0.00 175.17 178.04 1fhq s THR 699 N -0.84 3.41 -1.47 -1.27 -4.23 -1.26 -4.46 115.64 105.53 1fhq s THR 699 Ca 0.13 -2.43 -0.12 0.00 -1.18 0.00 0.00 61.69 58.10 1fhq s THR 699 Cb -0.11 -3.30 0.03 0.00 1.34 0.00 0.00 72.50 70.46 1fhq s THR 699 CO 0.03 -0.76 2.35 0.41 -0.54 0.00 0.00 174.62 176.11 1fhq n THR 700 N 4.14 3.84 -2.26 3.99 -1.04 -1.26 -4.23 114.28 117.47 1fhq n THR 700 Ca 0.02 -3.16 -0.02 0.00 -2.04 0.00 0.00 64.05 58.85 1fhq n THR 700 Cb 0.40 -2.55 0.01 0.00 -1.82 0.00 0.00 70.33 66.36 1fhq n THR 700 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1fhq n GLY 701 N 3.70 0.47 3.71 3.41 0.00 -1.26 -4.88 105.19 110.33 1fhq n GLY 701 Ca 0.57 -0.46 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.25 4.14 0.56 0.99 2.01 -1.26 -1.85 118.68 121.02 1fhq s LEU 702 Ca 0.01 0.19 0.37 0.00 0.01 0.00 0.00 54.13 54.71 1fhq s LEU 702 Cb -0.01 -2.07 1.51 0.00 0.01 0.00 0.00 46.19 45.63 1fhq s LEU 702 CO 0.07 0.16 1.73 2.19 1.01 0.00 0.00 176.35 181.52 1fhq h PHE 703 N 6.80 0.00 0.00 0.29 -0.00 -1.88 -3.37 116.94 118.78 1fhq h PHE 703 Ca -0.40 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.57 1fhq h PHE 703 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.11 1fhq h PHE 703 CO 0.59 0.00 0.00 -1.71 -0.00 0.00 0.00 178.31 177.19 1fhq n ASN 704 N -3.99 -1.86 0.00 -0.68 5.15 -1.26 -4.77 115.26 107.85 1fhq n ASN 704 Ca 0.26 0.50 0.00 0.00 -0.60 0.00 0.00 54.58 54.75 1fhq n ASN 704 Cb 1.32 1.89 0.00 0.00 -0.53 0.00 0.00 39.78 42.47 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 -3.13 0.00 0.00 1.20 0.28 -1.26 -4.91 120.64 112.82 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 0.33 0.48 -1.84 0.00 -1.26 -4.72 105.19 98.18 1fhq n GLY 706 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 1fhq n GLY 706 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1fhq n LEU 707 N 0.00 1.39 -4.59 0.99 7.94 -1.26 -2.95 117.00 118.52 1fhq n LEU 707 Ca 0.00 -0.69 -0.42 0.00 -1.11 0.00 0.00 56.01 53.80 1fhq n LEU 707 Cb 0.00 -0.17 -0.05 0.00 0.53 0.00 0.00 43.42 43.73 1fhq n LEU 707 CO 0.00 0.34 0.53 -0.83 -1.11 0.00 0.00 177.39 176.33 1fhq s GLY 708 N -1.05 1.70 -0.02 -3.96 0.00 -1.26 -4.96 107.32 97.76 1fhq s GLY 708 Ca 0.19 -0.61 0.03 0.00 0.00 0.00 0.00 44.72 44.33 1fhq s GLY 708 CO 0.13 1.69 -0.12 -0.29 0.00 0.00 0.00 173.10 174.51 1fhq s MET 709 N 2.95 1.12 -0.02 2.90 0.00 -1.26 -5.09 119.30 119.91 1fhq s MET 709 Ca 0.30 -0.43 -0.01 0.00 0.00 0.00 0.00 55.69 55.55 1fhq s MET 709 Cb -0.14 -1.05 0.01 0.00 0.00 0.00 0.00 34.83 33.65 1fhq s MET 709 CO 0.15 0.21 0.05 -0.48 0.00 0.00 0.00 175.02 174.95 1fhq s LEU 710 N -0.08 1.66 0.00 4.11 -0.00 -1.26 -4.94 118.68 118.17 1fhq s LEU 710 Ca 0.01 0.10 0.00 0.00 -0.00 0.00 0.00 54.13 54.24 1fhq s LEU 710 Cb -0.07 0.14 0.00 0.00 -0.00 0.00 0.00 46.19 46.26 1fhq s LEU 710 CO 0.00 -0.04 0.00 1.67 -0.00 0.00 0.00 176.35 177.98 1fhq n GLN 711 N 3.28 0.00 -3.00 1.48 7.27 -1.26 -4.80 117.38 120.35 1fhq n GLN 711 Ca -0.15 0.00 -0.39 0.00 0.07 0.00 0.00 57.00 56.53 1fhq n GLN 711 Cb 0.58 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 33.17 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 0.00 4.51 -0.44 3.69 -1.05 -1.26 -5.04 118.70 119.11 1fhq s GLU 712 Ca 0.00 1.11 -0.00 0.00 -0.15 0.00 0.00 54.97 55.93 1fhq s GLU 712 Cb 0.00 -3.19 0.12 0.00 -0.44 0.00 0.00 34.13 30.62 1fhq s GLU 712 CO 0.00 0.54 0.21 -1.14 0.95 0.00 0.00 175.26 175.82 1fhq s GLN 713 N -1.30 1.96 -0.40 -4.83 0.74 -1.26 -4.87 119.66 109.69 1fhq s GLN 713 Ca 0.37 -2.05 -0.36 0.00 0.05 0.00 0.00 55.36 53.37 1fhq s GLN 713 Cb -0.22 -3.48 0.05 0.00 1.10 0.00 0.00 33.01 30.46 1fhq s GLN 713 CO 0.25 -1.06 0.60 0.54 -0.55 0.00 0.00 175.29 175.07 1fhq n ARG 714 N 4.15 -1.75 -4.88 1.67 5.12 -1.26 -4.99 116.66 114.72 1fhq n ARG 714 Ca 0.02 1.33 -0.27 0.00 -1.93 0.00 0.00 57.85 57.01 1fhq n ARG 714 Cb 0.40 -1.86 -0.15 0.00 -1.16 0.00 0.00 32.46 29.69 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 -1.38 1.65 -0.10 1.55 -7.23 -1.26 -4.94 120.40 108.69 1fhq s VAL 715 Ca 0.35 -1.01 -0.30 0.00 -1.81 0.00 0.00 61.98 59.22 1fhq s VAL 715 Cb -0.04 -1.40 -0.01 0.00 0.56 0.00 0.00 36.38 35.49 1fhq s VAL 715 CO 0.79 0.37 1.06 -0.69 -0.31 0.00 0.00 175.10 176.31 1fhq s VAL 716 N -0.60 4.65 0.40 1.32 1.01 -1.26 -4.73 120.40 121.19 1fhq s VAL 716 Ca 0.08 1.94 0.08 0.00 0.00 0.00 0.00 61.98 64.07 1fhq s VAL 716 Cb -0.08 -4.24 -0.00 0.00 0.00 0.00 0.00 36.38 32.05 1fhq s VAL 716 CO 0.00 -0.01 0.48 -0.76 0.00 0.00 0.00 175.10 174.81 1fhq s LEU 717 N 2.16 3.60 -0.15 3.92 1.02 0.12 -4.92 118.68 124.43 1fhq s LEU 717 Ca 0.50 -0.51 -0.06 0.00 0.02 0.00 0.00 54.13 54.07 1fhq s LEU 717 Cb -0.19 -2.44 -0.04 0.00 0.02 0.00 0.00 46.19 43.54 1fhq s LEU 717 CO 0.18 -0.66 0.07 -0.54 0.02 0.00 0.00 176.35 175.42 1fhq s LYS 718 N -4.23 3.67 0.77 1.70 -0.14 -1.26 0.11 119.74 120.36 1fhq s LYS 718 Ca 0.51 -0.30 -0.11 0.00 -1.36 0.00 0.00 55.97 54.71 1fhq s LYS 718 Cb -0.07 -3.14 0.06 0.00 -1.68 0.00 0.00 37.83 33.00 1fhq s LYS 718 CO 0.31 0.48 1.10 1.14 -0.76 0.00 0.00 175.35 177.62 1fhq s GLN 719 N -0.20 2.18 0.19 1.68 -2.07 -0.85 -4.66 119.66 115.93 1fhq s GLN 719 Ca 0.08 1.25 0.01 0.00 -1.82 0.00 0.00 55.36 54.88 1fhq s GLN 719 Cb -0.12 -1.88 -0.00 0.00 -1.09 0.00 0.00 33.01 29.91 1fhq s GLN 719 CO 0.01 -1.71 0.03 0.25 -1.32 0.00 0.00 175.29 172.55 1fhq n THR 720 N -3.45 0.00 -0.04 3.63 -2.24 -1.26 -4.96 114.28 105.97 1fhq n THR 720 Ca 0.10 -0.96 0.21 0.00 -2.27 0.00 0.00 64.05 61.13 1fhq n THR 720 Cb 0.53 0.26 0.68 0.00 -2.10 0.00 0.00 70.33 69.70 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 1.18 2.53 0.14 6.98 0.00 -1.98 -1.38 119.26 126.74 1fhq h ALA 721 Ca -0.15 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1fhq h ALA 721 Cb 0.50 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1fhq h ALA 721 CO 0.24 -0.71 -0.07 0.93 0.00 0.00 0.00 179.25 179.65 1fhq h GLU 722 N 0.03 -0.18 -0.30 0.00 5.08 -1.99 -0.82 114.58 116.39 1fhq h GLU 722 Ca 0.29 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.62 1fhq h GLU 722 Cb 1.11 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 1fhq h GLU 722 CO -0.01 -0.05 0.03 0.93 -1.00 0.00 0.00 179.01 178.91 1fhq h GLU 723 N -0.28 0.51 -0.64 2.33 3.07 -1.68 -2.87 114.58 115.02 1fhq h GLU 723 Ca -0.02 -0.15 0.06 0.00 -0.50 0.00 0.00 59.36 58.75 1fhq h GLU 723 Cb 0.22 -0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 28.04 1fhq h GLU 723 CO 0.03 0.63 0.43 -0.22 -1.40 0.00 0.00 179.01 178.48 1fhq h LYS 724 N 0.32 0.62 -0.38 2.33 3.64 -1.24 -1.40 116.57 120.46 1fhq h LYS 724 Ca 0.09 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.34 1fhq h LYS 724 Cb 0.39 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 1fhq h LYS 724 CO 0.01 0.41 -0.15 -0.44 -2.27 0.00 0.00 179.45 177.01 1fhq h ASP 725 N 0.64 0.70 -0.49 4.20 5.19 -0.93 -2.43 116.42 123.29 1fhq h ASP 725 Ca 0.28 -0.22 -0.01 0.00 -0.62 0.00 0.00 57.03 56.46 1fhq h ASP 725 Cb 0.28 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 39.57 1fhq h ASP 725 CO -0.09 0.86 0.25 -0.07 -3.12 0.00 0.00 179.24 177.07 1fhq h LEU 726 N 0.63 0.62 -1.21 1.55 3.38 -1.06 -2.42 115.31 116.79 1fhq h LEU 726 Ca 0.10 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1fhq h LEU 726 Cb 0.61 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1fhq h LEU 726 CO 0.04 0.56 -0.31 1.62 0.09 0.00 0.00 178.44 180.43 1fhq h VAL 727 N 0.64 0.87 -0.24 1.22 3.04 -1.40 -1.86 116.25 118.53 1fhq h VAL 727 Ca 0.17 -1.25 0.07 0.00 -1.01 0.00 0.00 66.70 64.68 1fhq h VAL 727 Cb 0.09 1.75 -0.01 0.00 -2.01 0.00 0.00 31.29 31.11 1fhq h VAL 727 CO -0.02 0.31 0.19 0.11 -1.01 0.00 0.00 177.57 177.14 1fhq h LYS 728 N 0.00 0.00 0.00 4.17 1.57 -0.93 -2.50 116.57 118.89 1fhq h LYS 728 Ca -0.00 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.43 1fhq h LYS 728 Cb 0.73 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.97 1fhq h LYS 728 CO 0.04 0.00 -2.31 1.63 -0.57 0.00 0.00 179.45 178.24 1fhq n LYS 729 N -4.28 0.84 -0.44 3.15 5.02 -1.07 -5.12 118.16 116.27 1fhq n LYS 729 Ca 0.03 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 1fhq n LYS 729 Cb 0.33 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 1fhq n LYS 729 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16