#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k2m n ASN 574 N 0.00 0.42 0.00 1.61 2.85 -1.26 -4.95 115.26 113.93 1k2m n ASN 574 Ca 0.00 0.16 0.00 0.00 -0.11 0.00 0.00 54.58 54.63 1k2m n ASN 574 Cb 0.00 1.23 0.00 0.00 1.24 0.00 0.00 39.78 42.25 1k2m n ASN 574 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1k2m n GLY 575 N 1.22 0.52 3.71 8.20 0.00 -1.26 -5.10 105.19 112.49 1k2m n GLY 575 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 1k2m n GLY 575 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1k2m s ARG 576 N 0.00 2.93 0.00 1.61 3.00 -1.26 -0.58 118.95 124.65 1k2m s ARG 576 Ca 0.00 -0.50 0.00 0.00 -1.00 0.00 0.00 55.73 54.23 1k2m s ARG 576 Cb 0.00 -2.77 0.00 0.00 0.00 0.00 0.00 34.95 32.18 1k2m s ARG 576 CO 0.00 0.66 0.00 0.34 0.00 0.00 0.00 175.30 176.30 1k2m n PHE 577 N 1.62 0.00 -5.01 5.12 -0.00 -0.98 -4.08 117.46 114.12 1k2m n PHE 577 Ca -0.16 0.00 -0.29 0.00 -0.00 0.00 0.00 57.45 57.00 1k2m n PHE 577 Cb 0.53 0.23 -0.15 0.00 -0.00 0.00 0.00 39.48 40.09 1k2m n PHE 577 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.76 175.59 1k2m s LEU 578 N -4.92 2.11 -0.22 -2.13 2.96 -1.09 -1.29 118.68 114.10 1k2m s LEU 578 Ca 0.00 -0.51 0.02 0.00 -0.22 0.00 0.00 54.13 53.42 1k2m s LEU 578 Cb 0.00 -1.23 0.04 0.00 0.50 0.00 0.00 46.19 45.50 1k2m s LEU 578 CO 0.00 0.26 -0.15 -0.89 -1.32 0.00 0.00 176.35 174.25 1k2m s THR 579 N -0.70 2.08 -0.39 3.68 2.01 0.10 0.12 115.64 122.55 1k2m s THR 579 Ca 0.10 -1.27 -0.11 0.00 0.31 0.00 0.00 61.69 60.72 1k2m s THR 579 Cb -0.10 -2.05 0.04 0.00 0.01 0.00 0.00 72.50 70.41 1k2m s THR 579 CO 0.01 0.25 0.23 -0.76 -0.69 0.00 0.00 174.62 173.66 1k2m s LEU 580 N 1.21 4.89 -0.44 4.42 1.43 0.41 0.18 118.68 130.78 1k2m s LEU 580 Ca -0.02 -1.14 -0.04 0.00 -1.03 0.00 0.00 54.13 51.90 1k2m s LEU 580 Cb -0.17 -2.03 0.12 0.00 0.03 0.00 0.00 46.19 44.14 1k2m s LEU 580 CO -0.09 -0.44 0.25 -0.54 0.23 0.00 0.00 176.35 175.76 1k2m s LYS 581 N 1.53 2.14 -0.81 1.70 1.02 0.41 0.23 119.74 125.95 1k2m s LYS 581 Ca 0.02 -1.87 -0.28 0.00 0.02 0.00 0.00 55.97 53.87 1k2m s LYS 581 Cb -0.20 -3.66 -0.17 0.00 -0.52 0.00 0.00 37.83 33.27 1k2m s LYS 581 CO 0.06 -1.11 2.57 -2.30 -0.92 0.00 0.00 175.35 173.65 1k2m n PRO 582 N 4.57 0.38 -1.73 -1.68 -0.02 0.63 -2.50 135.00 134.65 1k2m n PRO 582 Ca -0.02 -0.03 -0.32 0.00 -2.02 0.00 0.00 63.50 61.11 1k2m n PRO 582 Cb 0.41 -2.23 0.04 0.00 -0.02 0.00 0.00 33.50 31.69 1k2m n PRO 582 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 1k2m s LEU 583 N 9.91 3.26 0.60 2.45 2.34 -1.09 -2.00 118.68 134.15 1k2m s LEU 583 Ca 1.21 1.69 0.28 0.00 0.06 0.00 0.00 54.13 57.37 1k2m s LEU 583 Cb -0.82 -4.51 1.32 0.00 -0.56 0.00 0.00 46.19 41.62 1k2m s LEU 583 CO 0.40 -1.36 1.73 -0.65 -1.06 0.00 0.00 176.35 175.40 1k2m h PRO 584 N -0.32 0.00 0.00 1.48 0.11 -1.90 0.71 132.00 132.08 1k2m h PRO 584 Ca -0.45 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 1k2m h PRO 584 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1k2m h PRO 584 CO 0.57 0.00 -0.07 -0.44 -0.21 0.00 0.00 178.00 177.85 1k2m h ASP 585 N 0.00 0.00 -2.96 -2.05 5.19 -1.91 -3.41 116.42 111.28 1k2m h ASP 585 Ca 0.27 0.00 -0.54 0.00 -0.62 0.00 0.00 57.03 56.14 1k2m h ASP 585 Cb 1.63 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 41.12 1k2m h ASP 585 CO -0.00 0.07 -0.29 -0.55 -3.12 0.00 0.00 179.24 175.35 1k2m s SER 586 N -6.73 6.41 0.10 6.45 0.15 0.25 -4.74 113.70 115.59 1k2m s SER 586 Ca -0.04 0.49 0.06 0.00 0.70 0.00 0.00 55.95 57.16 1k2m s SER 586 Cb 0.16 -2.05 0.33 0.00 -1.71 0.00 0.00 66.02 62.74 1k2m s SER 586 CO 0.64 -0.07 1.14 2.30 1.20 0.00 0.00 173.24 178.45 1k2m n ILE 587 N -0.63 1.52 -3.78 6.45 -5.35 -0.63 -4.33 119.36 112.61 1k2m n ILE 587 Ca -0.04 0.57 -0.37 0.00 -0.27 0.00 0.00 62.75 62.65 1k2m n ILE 587 Cb 0.54 -1.57 -0.13 0.00 -1.74 0.00 0.00 39.64 36.73 1k2m n ILE 587 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1k2m s ILE 588 N -3.08 4.08 -0.82 7.28 1.01 -1.26 -5.00 121.20 123.40 1k2m s ILE 588 Ca -0.01 -0.37 0.01 0.00 0.00 0.00 0.00 60.65 60.28 1k2m s ILE 588 Cb 0.02 -2.96 0.35 0.00 0.01 0.00 0.00 42.46 39.88 1k2m s ILE 588 CO 0.05 0.28 1.65 0.00 0.00 0.00 0.00 174.94 176.92 1k2m n GLN 589 N 4.89 4.01 -4.54 2.79 3.00 -1.25 -3.56 117.38 122.72 1k2m n GLN 589 Ca -0.16 -4.34 -0.25 0.00 -0.01 0.00 0.00 57.00 52.24 1k2m n GLN 589 Cb 0.50 -2.34 -0.10 0.00 0.00 0.00 0.00 30.24 28.30 1k2m n GLN 589 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 1k2m s GLU 590 N -4.01 1.83 -0.07 -1.09 2.02 -0.85 -4.98 118.70 111.54 1k2m s GLU 590 Ca 0.46 -2.05 0.03 0.00 0.02 0.00 0.00 54.97 53.42 1k2m s GLU 590 Cb 0.31 -1.14 0.01 0.00 0.10 0.00 0.00 34.13 33.41 1k2m s GLU 590 CO -0.23 -0.19 -0.15 -1.12 0.02 0.00 0.00 175.26 173.59 1k2m s SER 591 N -3.61 2.12 -0.03 -0.19 0.01 -1.26 -0.27 113.70 110.47 1k2m s SER 591 Ca 0.32 -0.37 0.03 0.00 1.31 0.00 0.00 55.95 57.24 1k2m s SER 591 Cb 0.08 -0.98 -0.03 0.00 0.21 0.00 0.00 66.02 65.30 1k2m s SER 591 CO 0.15 0.06 -0.10 -0.76 0.41 0.00 0.00 173.24 173.00 1k2m s LEU 592 N 0.59 2.99 -0.24 2.44 1.43 0.62 -4.93 118.68 121.59 1k2m s LEU 592 Ca -0.16 -0.15 0.01 0.00 -1.03 0.00 0.00 54.13 52.81 1k2m s LEU 592 Cb -0.16 -1.68 0.06 0.00 0.03 0.00 0.00 46.19 44.44 1k2m s LEU 592 CO 0.05 0.32 -0.07 -1.61 0.23 0.00 0.00 176.35 175.27 1k2m s GLU 593 N -1.06 1.83 -0.46 1.70 2.02 -1.26 0.15 118.70 121.63 1k2m s GLU 593 Ca 0.14 -1.07 -0.29 0.00 0.02 0.00 0.00 54.97 53.77 1k2m s GLU 593 Cb -0.11 -2.65 0.02 0.00 0.10 0.00 0.00 34.13 31.49 1k2m s GLU 593 CO 0.04 -0.57 1.32 0.42 0.02 0.00 0.00 175.26 176.49 1k2m s ILE 594 N 1.32 3.98 -0.19 -1.63 1.01 0.33 -4.96 121.20 121.06 1k2m s ILE 594 Ca -0.06 0.98 -0.29 0.00 0.00 0.00 0.00 60.65 61.28 1k2m s ILE 594 Cb -0.19 -4.37 -0.04 0.00 0.01 0.00 0.00 42.46 37.87 1k2m s ILE 594 CO -0.06 -0.91 1.75 -1.10 0.00 0.00 0.00 174.94 174.63 1k2m s GLN 595 N 4.87 3.72 0.54 2.79 1.11 -1.26 -2.32 119.66 129.11 1k2m s GLN 595 Ca 0.56 1.83 0.40 0.00 0.01 0.00 0.00 55.36 58.15 1k2m s GLN 595 Cb -0.11 -4.11 1.58 0.00 -1.01 0.00 0.00 33.01 29.36 1k2m s GLN 595 CO 0.31 -1.39 1.73 -0.56 0.01 0.00 0.00 175.29 175.39 1k2m h GLN 596 N 11.42 0.02 0.00 2.91 -0.00 -1.09 1.09 115.11 129.46 1k2m h GLN 596 Ca -0.37 -0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.26 1k2m h GLN 596 Cb 1.18 -0.01 -0.00 0.00 -0.00 0.00 0.00 27.48 28.65 1k2m h GLN 596 CO 0.99 0.02 -0.08 0.78 -0.00 0.00 0.00 178.83 180.53 1k2m h GLY 597 N 0.02 0.00 -7.79 0.06 0.00 -1.88 -3.40 103.07 90.08 1k2m h GLY 597 Ca 0.69 0.00 -0.65 0.00 0.00 0.00 0.00 47.33 47.37 1k2m h GLY 597 CO -0.04 0.00 -0.53 0.14 0.00 0.00 0.00 176.54 176.11 1k2m s VAL 598 N -4.14 5.14 -0.04 4.60 1.01 0.38 -5.06 120.40 122.28 1k2m s VAL 598 Ca -0.03 0.05 -0.01 0.00 0.00 0.00 0.00 61.98 61.99 1k2m s VAL 598 Cb 0.13 -3.48 0.03 0.00 0.00 0.00 0.00 36.38 33.06 1k2m s VAL 598 CO 0.55 0.22 0.04 0.21 0.00 0.00 0.00 175.10 176.12 1k2m s ASN 599 N 1.73 1.04 0.43 3.32 2.47 -1.26 -3.99 114.94 118.68 1k2m s ASN 599 Ca 0.07 0.03 -0.03 0.00 0.42 0.00 0.00 52.86 53.35 1k2m s ASN 599 Cb -0.16 -0.21 -0.03 0.00 -1.45 0.00 0.00 41.25 39.40 1k2m s ASN 599 CO 0.10 -0.21 0.68 -2.16 -3.72 0.00 0.00 177.10 171.80 1k2m s PRO 600 N 1.87 3.48 -0.35 0.43 0.04 -1.26 -5.03 135.00 134.17 1k2m s PRO 600 Ca 0.02 -0.06 -0.20 0.00 0.04 0.00 0.00 61.00 60.80 1k2m s PRO 600 Cb -0.12 -2.50 0.00 0.00 0.04 0.00 0.00 34.50 31.92 1k2m s PRO 600 CO -0.03 -0.07 0.61 0.12 0.04 0.00 0.00 177.00 177.67 1k2m s PHE 601 N -2.56 3.16 -0.00 0.56 2.19 0.27 -4.85 117.98 116.75 1k2m s PHE 601 Ca 0.44 0.32 -0.17 0.00 0.33 0.00 0.00 56.93 57.85 1k2m s PHE 601 Cb -0.10 -3.10 -0.06 0.00 -1.31 0.00 0.00 43.02 38.46 1k2m s PHE 601 CO 0.41 -0.61 0.47 -0.06 1.83 0.00 0.00 175.22 177.26 1k2m s PHE 602 N 2.65 3.71 0.04 10.12 0.08 -1.26 0.11 117.98 133.43 1k2m s PHE 602 Ca 0.23 1.06 0.06 0.00 0.12 0.00 0.00 56.93 58.40 1k2m s PHE 602 Cb -0.15 -2.40 -0.02 0.00 -0.57 0.00 0.00 43.02 39.88 1k2m s PHE 602 CO 0.14 0.54 -0.17 0.42 -0.10 0.00 0.00 175.22 176.05 1k2m s ILE 603 N -0.76 1.39 -5.00 0.64 1.09 0.29 0.16 121.20 119.01 1k2m s ILE 603 Ca 0.26 -1.10 0.00 0.00 -1.10 0.00 0.00 60.65 58.70 1k2m s ILE 603 Cb -0.17 -1.23 0.00 0.00 -1.06 0.00 0.00 42.46 40.00 1k2m s ILE 603 CO 0.14 0.10 0.00 0.61 -0.10 0.00 0.00 174.94 175.69 1k2m n GLY 604 N 1.86 -1.19 0.00 6.18 0.00 -1.14 -2.09 105.19 108.80 1k2m n GLY 604 Ca -0.18 -1.41 0.10 0.00 0.00 0.00 0.00 46.02 44.54 1k2m n GLY 604 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1k2m n ARG 605 N -0.34 0.22 -3.15 1.61 0.63 -0.27 -1.86 116.66 113.51 1k2m n ARG 605 Ca 0.00 0.10 -0.40 0.00 -0.92 0.00 0.00 57.85 56.64 1k2m n ARG 605 Cb 0.00 -1.50 -0.06 0.00 0.45 0.00 0.00 32.46 31.35 1k2m n ARG 605 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1k2m s SER 606 N -2.68 6.70 0.67 6.15 0.15 0.11 -4.81 113.70 119.99 1k2m s SER 606 Ca 0.17 0.85 0.42 0.00 0.70 0.00 0.00 55.95 58.09 1k2m s SER 606 Cb 0.14 -2.34 2.30 0.00 -1.71 0.00 0.00 66.02 64.41 1k2m s SER 606 CO 0.34 -0.21 2.31 1.05 1.20 0.00 0.00 173.24 177.92 1k2m h GLU 607 N 7.31 0.00 0.00 5.44 9.09 -1.87 0.16 114.58 134.71 1k2m h GLU 607 Ca -0.34 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.03 1k2m h GLU 607 Cb 1.15 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.25 1k2m h GLU 607 CO 0.77 0.00 -0.18 -0.44 0.05 0.00 0.00 179.01 179.20 1k2m h ASP 608 N 0.00 0.00 -3.09 3.06 3.32 -1.92 -3.43 116.42 114.36 1k2m h ASP 608 Ca 0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 1k2m h ASP 608 Cb 0.10 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.67 1k2m h ASP 608 CO -0.00 0.18 0.67 0.00 -1.72 0.00 0.00 179.24 178.37 1k2m h ASN 610 N 6.69 0.11 -3.65 0.00 4.21 -0.58 -3.36 115.58 119.00 1k2m h ASN 610 Ca -0.42 0.04 -0.68 0.00 1.21 0.00 0.00 56.30 56.45 1k2m h ASN 610 Cb 1.21 0.03 -0.19 0.00 -1.12 0.00 0.00 38.32 38.25 1k2m h ASN 610 CO 0.84 -0.03 -0.69 0.00 -1.29 0.00 0.00 177.43 176.26 1k2m s LYS 612 N -0.80 2.23 -0.17 0.00 -0.14 -1.26 -2.88 119.74 116.73 1k2m s LYS 612 Ca 0.12 -1.34 -0.04 0.00 -1.36 0.00 0.00 55.97 53.35 1k2m s LYS 612 Cb -0.11 -2.88 0.06 0.00 -1.68 0.00 0.00 37.83 33.22 1k2m s LYS 612 CO 0.01 -0.57 0.07 0.42 -0.76 0.00 0.00 175.35 174.53 1k2m s ILE 613 N 1.11 0.08 -0.54 2.17 1.09 -0.78 -4.97 121.20 119.36 1k2m s ILE 613 Ca -0.09 -0.23 -0.25 0.00 -1.10 0.00 0.00 60.65 58.98 1k2m s ILE 613 Cb -0.20 -0.67 0.04 0.00 -1.06 0.00 0.00 42.46 40.57 1k2m s ILE 613 CO -0.05 -0.23 0.96 -1.83 -0.10 0.00 0.00 174.94 173.69 1k2m s GLU 614 N 2.06 3.37 -0.23 2.79 1.03 -1.26 -2.78 118.70 123.68 1k2m s GLU 614 Ca 0.01 -0.17 -0.01 0.00 0.03 0.00 0.00 54.97 54.84 1k2m s GLU 614 Cb -0.16 -4.03 0.07 0.00 -0.80 0.00 0.00 34.13 29.20 1k2m s GLU 614 CO -0.08 -1.46 0.01 -0.51 -1.33 0.00 0.00 175.26 171.88 1k2m s ASP 615 N 2.77 3.54 0.40 0.83 1.01 -1.26 -5.01 116.67 118.95 1k2m s ASP 615 Ca 0.32 -1.13 0.23 0.00 0.71 0.00 0.00 52.55 52.67 1k2m s ASP 615 Cb -0.12 -0.92 1.27 0.00 1.01 0.00 0.00 42.92 44.16 1k2m s ASP 615 CO 0.21 -0.29 1.65 0.78 0.21 0.00 0.00 175.17 177.73 1k2m h ASN 616 N 8.07 0.36 0.57 0.27 -0.26 -1.99 0.54 115.58 123.15 1k2m h ASN 616 Ca -0.16 0.16 -0.24 0.00 -0.56 0.00 0.00 56.30 55.50 1k2m h ASN 616 Cb 1.08 0.13 -0.00 0.00 -1.06 0.00 0.00 38.32 38.46 1k2m h ASN 616 CO 0.39 -0.15 -1.04 0.03 -1.06 0.00 0.00 177.43 175.60 1k2m h ARG 617 N 0.19 0.27 -5.99 0.81 2.47 -2.01 -3.44 114.38 106.68 1k2m h ARG 617 Ca 0.76 -0.35 -0.57 0.00 -1.26 0.00 0.00 59.98 58.56 1k2m h ARG 617 Cb 2.11 0.12 -0.06 0.00 -1.65 0.00 0.00 29.97 30.49 1k2m h ARG 617 CO -0.49 1.10 0.16 -1.17 0.56 0.00 0.00 179.97 180.13 1k2m s LEU 618 N -7.35 4.27 0.92 3.04 0.20 0.19 -4.70 118.68 115.26 1k2m s LEU 618 Ca -0.04 1.17 -0.11 0.00 0.69 0.00 0.00 54.13 55.84 1k2m s LEU 618 Cb 0.09 -3.11 0.10 0.00 -0.43 0.00 0.00 46.19 42.84 1k2m s LEU 618 CO 0.86 -0.19 0.88 -1.54 -0.29 0.00 0.00 176.35 176.07 1k2m n SER 619 N 4.19 -0.50 0.10 3.68 3.41 -1.26 -4.42 113.62 118.81 1k2m n SER 619 Ca 0.00 0.40 0.11 0.00 -0.26 0.00 0.00 58.87 59.12 1k2m n SER 619 Cb 0.51 -1.38 0.59 0.00 -0.26 0.00 0.00 64.21 63.67 1k2m n SER 619 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 1k2m h ARG 620 N -1.70 0.16 -1.87 4.33 -0.00 -1.91 -2.14 114.38 111.24 1k2m h ARG 620 Ca -0.43 -0.01 -0.56 0.00 -0.00 0.00 0.00 59.98 58.97 1k2m h ARG 620 Cb 1.28 -0.04 -0.42 0.00 -0.00 0.00 0.00 29.97 30.80 1k2m h ARG 620 CO 0.39 0.10 -0.77 0.28 -0.00 0.00 0.00 179.97 179.97 1k2m n VAL 621 N -4.48 2.36 -0.18 0.08 0.31 -1.26 0.10 118.33 115.25 1k2m n VAL 621 Ca 0.03 -5.06 -0.01 0.00 -0.01 0.00 0.00 64.34 59.29 1k2m n VAL 621 Cb 0.25 -1.09 0.06 0.00 -0.91 0.00 0.00 33.84 32.16 1k2m n VAL 621 CO 0.00 0.00 0.00 -0.74 -1.32 0.00 0.00 176.83 174.77 1k2m h HIS 622 N 2.83 -0.17 -2.59 3.52 2.76 -1.05 -3.33 115.15 117.13 1k2m h HIS 622 Ca 0.17 0.05 0.06 0.00 -2.20 0.00 0.00 60.37 58.45 1k2m h HIS 622 Cb 0.75 0.16 -0.14 0.00 1.55 0.00 0.00 27.41 29.74 1k2m h HIS 622 CO 0.77 -0.19 0.37 0.00 -1.30 0.00 0.00 177.93 177.58 1k2m s PHE 624 N -3.40 0.05 -0.17 0.00 -0.12 0.32 0.10 117.98 114.77 1k2m s PHE 624 Ca 0.04 -0.11 -0.08 0.00 -0.05 0.00 0.00 56.93 56.73 1k2m s PHE 624 Cb -0.01 -0.06 -0.04 0.00 -0.63 0.00 0.00 43.02 42.28 1k2m s PHE 624 CO -0.10 -0.21 0.09 0.42 -0.05 0.00 0.00 175.22 175.36 1k2m s ILE 625 N -1.06 5.07 -0.07 -4.49 1.01 0.30 0.22 121.20 122.18 1k2m s ILE 625 Ca -0.12 0.06 0.04 0.00 0.00 0.00 0.00 60.65 60.63 1k2m s ILE 625 Cb -0.07 -3.27 0.00 0.00 0.01 0.00 0.00 42.46 39.14 1k2m s ILE 625 CO 0.01 0.50 -0.19 0.12 0.00 0.00 0.00 174.94 175.37 1k2m s PHE 626 N 0.00 2.04 -0.12 3.97 5.36 0.59 0.98 117.98 130.80 1k2m s PHE 626 Ca 0.08 -0.75 -0.11 0.00 -0.96 0.00 0.00 56.93 55.19 1k2m s PHE 626 Cb -0.12 -1.39 -0.05 0.00 -0.34 0.00 0.00 43.02 41.12 1k2m s PHE 626 CO 0.00 -0.31 0.23 0.21 -1.46 0.00 0.00 175.22 173.89 1k2m s LYS 627 N 0.34 3.83 0.08 10.12 2.20 -1.26 0.19 119.74 135.24 1k2m s LYS 627 Ca -0.13 0.02 0.01 0.00 -0.36 0.00 0.00 55.97 55.51 1k2m s LYS 627 Cb -0.16 -3.28 -0.04 0.00 -1.51 0.00 0.00 37.83 32.84 1k2m s LYS 627 CO 0.06 0.57 -0.06 0.21 -0.36 0.00 0.00 175.35 175.77 1k2m s LYS 628 N -0.50 0.72 -0.36 4.03 2.36 0.18 -4.93 119.74 121.23 1k2m s LYS 628 Ca 0.16 -1.18 -0.29 0.00 -2.55 0.00 0.00 55.97 52.11 1k2m s LYS 628 Cb -0.13 -0.13 0.01 0.00 -1.05 0.00 0.00 37.83 36.53 1k2m s LYS 628 CO 0.05 -0.02 1.22 0.50 1.55 0.00 0.00 175.35 178.64 1k2m s ARG 629 N -3.36 3.87 -0.14 4.03 6.06 -1.26 0.17 118.95 128.32 1k2m s ARG 629 Ca 0.06 1.00 -0.29 0.00 -2.50 0.00 0.00 55.73 53.99 1k2m s ARG 629 Cb 0.02 -3.87 -0.01 0.00 0.06 0.00 0.00 34.95 31.16 1k2m s ARG 629 CO -0.05 -1.18 1.07 -1.58 -2.50 0.00 0.00 175.30 171.06 1k2m s HIS 630 N 4.34 3.36 0.08 5.12 5.65 0.51 -4.88 115.29 129.47 1k2m s HIS 630 Ca 0.52 1.45 0.05 0.00 0.25 0.00 0.00 55.06 57.34 1k2m s HIS 630 Cb -0.13 -3.27 -0.03 0.00 -1.18 0.00 0.00 32.58 27.97 1k2m s HIS 630 CO 0.24 -0.59 -0.15 0.00 -0.65 0.00 0.00 174.74 173.60 1k2m s ALA 631 N 2.53 1.27 0.43 1.58 0.00 -1.26 -1.05 121.76 125.26 1k2m s ALA 631 Ca 0.49 -1.06 0.03 0.00 0.00 0.00 0.00 51.96 51.42 1k2m s ALA 631 Cb -0.18 -0.11 0.00 0.00 0.00 0.00 0.00 23.12 22.83 1k2m s ALA 631 CO 0.15 0.17 0.62 0.14 0.00 0.00 0.00 175.76 176.84 1k2m s VAL 632 N -1.38 3.61 -1.30 0.00 -7.23 -1.26 -5.01 120.40 107.82 1k2m s VAL 632 Ca 0.00 -0.75 -0.12 0.00 -1.81 0.00 0.00 61.98 59.30 1k2m s VAL 632 Cb -0.09 -3.29 0.13 0.00 0.56 0.00 0.00 36.38 33.69 1k2m s VAL 632 CO 0.02 -0.17 1.82 0.61 -0.31 0.00 0.00 175.10 177.08 1k2m n GLY 633 N -1.97 4.14 2.48 2.32 0.00 -1.26 -4.76 105.19 106.14 1k2m n GLY 633 Ca 0.03 -1.92 -0.03 0.00 0.00 0.00 0.00 46.02 44.10 1k2m n GLY 633 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1k2m n LYS 634 N 5.17 -4.98 -2.81 1.61 5.02 -1.26 -4.89 118.16 116.03 1k2m n LYS 634 Ca 0.42 3.67 -0.42 0.00 -2.02 0.00 0.00 58.31 59.96 1k2m n LYS 634 Cb 0.39 -4.94 -0.04 0.00 -0.02 0.00 0.00 35.03 30.42 1k2m n LYS 634 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1k2m s SER 635 N -0.64 6.80 -0.22 4.39 1.04 -1.26 -5.03 113.70 118.78 1k2m s SER 635 Ca -0.15 0.87 -0.06 0.00 0.48 0.00 0.00 55.95 57.09 1k2m s SER 635 Cb 0.01 -2.47 -0.03 0.00 0.10 0.00 0.00 66.02 63.63 1k2m s SER 635 CO 0.39 -0.71 0.04 -0.04 0.98 0.00 0.00 173.24 173.90 1k2m s MET 636 N 3.23 3.68 0.00 4.02 -1.94 -1.26 -4.82 119.30 122.20 1k2m s MET 636 Ca 0.38 -0.48 0.00 0.00 -1.71 0.00 0.00 55.69 53.88 1k2m s MET 636 Cb -0.14 -3.21 0.00 0.00 2.01 0.00 0.00 34.83 33.50 1k2m s MET 636 CO 0.13 -0.04 0.00 0.66 -0.01 0.00 0.00 175.02 175.75 1k2m n TYR 637 N 4.46 0.00 -2.53 -0.03 4.02 -1.26 -4.75 117.16 117.07 1k2m n TYR 637 Ca -0.17 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.30 1k2m n TYR 637 Cb 0.52 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.81 1k2m n TYR 637 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 176.86 174.02 1k2m s GLU 638 N 0.00 4.33 -0.44 -0.72 1.03 -1.26 -5.00 118.70 116.64 1k2m s GLU 638 Ca 0.00 1.57 -0.20 0.00 0.03 0.00 0.00 54.97 56.38 1k2m s GLU 638 Cb 0.00 -3.60 0.02 0.00 -0.80 0.00 0.00 34.13 29.75 1k2m s GLU 638 CO 0.00 -0.49 0.58 -1.54 -1.33 0.00 0.00 175.26 172.48 1k2m s SER 639 N 1.45 6.28 0.00 0.83 1.04 -1.26 -4.82 113.70 117.23 1k2m s SER 639 Ca 0.53 -0.47 0.00 0.00 0.48 0.00 0.00 55.95 56.48 1k2m s SER 639 Cb -0.22 -2.29 0.00 0.00 0.10 0.00 0.00 66.02 63.62 1k2m s SER 639 CO 0.18 -0.73 0.00 -2.65 0.98 0.00 0.00 173.24 171.02 1k2m n PRO 640 N 6.06 2.25 0.00 4.02 -0.02 -1.26 -4.81 135.00 141.24 1k2m n PRO 640 Ca -0.04 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.57 1k2m n PRO 640 Cb 0.48 0.00 0.77 0.00 -0.02 0.00 0.00 33.50 34.73 1k2m n PRO 640 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1k2m n ALA 641 N -3.00 2.62 -0.44 3.55 0.00 -1.26 -5.01 120.51 116.96 1k2m n ALA 641 Ca 0.00 -0.16 0.02 0.00 0.00 0.00 0.00 53.44 53.29 1k2m n ALA 641 Cb 0.00 -1.42 -0.00 0.00 0.00 0.00 0.00 19.45 18.02 1k2m n ALA 641 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1k2m n GLN 642 N -0.92 -0.23 -2.76 0.00 6.02 -1.26 -4.52 117.38 113.70 1k2m n GLN 642 Ca 0.20 0.15 -0.43 0.00 -0.01 0.00 0.00 57.00 56.91 1k2m n GLN 642 Cb 0.09 -0.28 -0.03 0.00 1.02 0.00 0.00 30.24 31.04 1k2m n GLN 642 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1k2m s GLY 643 N -3.22 1.54 0.00 1.08 0.00 -1.26 -4.66 107.32 100.80 1k2m s GLY 643 Ca 0.00 -2.36 0.00 0.00 0.00 0.00 0.00 44.72 42.36 1k2m s GLY 643 CO 0.00 2.30 0.00 1.04 0.00 0.00 0.00 173.10 176.44 1k2m n LEU 644 N 7.72 0.00 -4.32 0.66 4.77 -0.21 -4.85 117.00 120.77 1k2m n LEU 644 Ca 0.22 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.92 1k2m n LEU 644 Cb 0.49 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.45 1k2m n LEU 644 CO 0.59 0.00 -0.55 -1.81 -1.33 0.00 0.00 177.39 174.29 1k2m s ASP 645 N -0.23 2.92 0.00 -1.43 1.11 -1.19 0.19 116.67 118.04 1k2m s ASP 645 Ca 0.00 -0.65 0.01 0.00 0.18 0.00 0.00 52.55 52.10 1k2m s ASP 645 Cb 0.00 -0.21 -0.01 0.00 1.07 0.00 0.00 42.92 43.77 1k2m s ASP 645 CO 0.00 0.17 -0.05 -1.81 1.18 0.00 0.00 175.17 174.66 1k2m s ASP 646 N -1.63 0.56 -0.25 0.27 1.01 0.45 -3.98 116.67 113.09 1k2m s ASP 646 Ca 0.10 -0.16 -0.16 0.00 0.71 0.00 0.00 52.55 53.05 1k2m s ASP 646 Cb -0.10 -0.04 -0.04 0.00 1.01 0.00 0.00 42.92 43.76 1k2m s ASP 646 CO 0.04 0.01 0.41 0.27 0.21 0.00 0.00 175.17 176.10 1k2m s ILE 647 N -0.32 5.16 -0.15 0.77 -4.36 -1.26 0.48 121.20 121.51 1k2m s ILE 647 Ca -0.00 0.67 -0.06 0.00 -0.26 0.00 0.00 60.65 60.99 1k2m s ILE 647 Cb -0.03 -3.73 -0.04 0.00 1.25 0.00 0.00 42.46 39.91 1k2m s ILE 647 CO -0.00 0.16 0.06 0.26 0.24 0.00 0.00 174.94 175.66 1k2m s TRP 648 N 1.95 3.28 -0.31 1.37 0.52 0.50 -1.15 118.94 125.11 1k2m s TRP 648 Ca 0.17 0.16 -0.18 0.00 0.02 0.00 0.00 56.10 56.28 1k2m s TRP 648 Cb -0.15 -1.98 -0.02 0.00 -1.15 0.00 0.00 33.47 30.17 1k2m s TRP 648 CO 0.09 0.32 0.51 -0.47 0.02 0.00 0.00 176.95 177.42 1k2m s TYR 649 N -0.16 3.22 -0.13 -1.98 6.14 0.48 0.22 117.35 125.12 1k2m s TYR 649 Ca 0.07 0.39 -0.06 0.00 0.64 0.00 0.00 57.07 58.11 1k2m s TYR 649 Cb -0.12 -2.83 -0.04 0.00 0.42 0.00 0.00 41.96 39.39 1k2m s TYR 649 CO 0.01 -0.42 0.08 0.00 0.64 0.00 0.00 175.55 175.87 1k2m s HIS 651 N -0.49 2.80 0.00 0.00 2.46 -0.34 0.12 115.29 119.84 1k2m s HIS 651 Ca 0.11 -0.92 0.00 0.00 0.47 0.00 0.00 55.06 54.71 1k2m s HIS 651 Cb -0.12 -1.89 0.00 0.00 -0.13 0.00 0.00 32.58 30.44 1k2m s HIS 651 CO 0.02 -0.41 0.75 0.25 -2.47 0.00 0.00 174.74 172.88 1k2m n THR 652 N 3.97 0.55 -2.12 0.89 -2.24 0.60 0.52 114.28 116.44 1k2m n THR 652 Ca -0.19 -0.71 -0.31 0.00 -2.27 0.00 0.00 64.05 60.58 1k2m n THR 652 Cb 0.52 0.77 -0.01 0.00 -2.10 0.00 0.00 70.33 69.51 1k2m n THR 652 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1k2m s GLY 653 N -0.55 1.81 0.20 3.38 0.00 0.42 -4.79 107.32 107.79 1k2m s GLY 653 Ca 0.00 -0.01 0.23 0.00 0.00 0.00 0.00 44.72 44.94 1k2m s GLY 653 CO 0.00 0.26 1.08 -0.84 0.00 0.00 0.00 173.10 173.60 1k2m h THR 654 N 0.20 0.00 -0.04 0.90 2.02 -1.92 -3.28 112.91 110.79 1k2m h THR 654 Ca -0.45 -0.96 0.00 0.00 0.77 0.00 0.00 66.41 65.77 1k2m h THR 654 Cb 1.19 1.47 0.00 0.00 -1.74 0.00 0.00 68.15 69.07 1k2m h THR 654 CO 0.62 0.00 0.00 0.59 0.37 0.00 0.00 175.52 177.10 1k2m n ASN 655 N -2.64 0.59 -1.49 4.18 4.13 -1.26 -4.89 115.26 113.87 1k2m n ASN 655 Ca 0.00 -1.42 0.00 0.00 1.68 0.00 0.00 54.58 54.84 1k2m n ASN 655 Cb 0.54 -0.03 0.00 0.00 -1.54 0.00 0.00 39.78 38.75 1k2m n ASN 655 CO 0.00 0.00 0.00 0.55 0.28 0.00 0.00 177.26 178.09 1k2m n VAL 656 N -0.44 -2.96 -3.89 2.41 3.14 -1.25 -4.89 118.33 110.45 1k2m n VAL 656 Ca 0.17 1.36 -0.22 0.00 -2.96 0.00 0.00 64.34 62.69 1k2m n VAL 656 Cb 0.17 -1.84 -0.05 0.00 -1.06 0.00 0.00 33.84 31.07 1k2m n VAL 656 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1k2m s SER 657 N -2.71 5.00 -0.13 6.55 1.04 -0.20 -4.67 113.70 118.58 1k2m s SER 657 Ca 0.00 -0.65 0.00 0.00 0.48 0.00 0.00 55.95 55.78 1k2m s SER 657 Cb 0.00 -0.81 0.02 0.00 0.10 0.00 0.00 66.02 65.33 1k2m s SER 657 CO 0.00 -0.38 -0.12 -0.31 0.98 0.00 0.00 173.24 173.41 1k2m s TYR 658 N -2.38 1.88 -0.51 5.02 2.02 0.55 -0.03 117.35 123.91 1k2m s TYR 658 Ca 0.41 -1.00 -0.13 0.00 -0.37 0.00 0.00 57.07 55.97 1k2m s TYR 658 Cb -0.04 -1.44 0.12 0.00 -0.40 0.00 0.00 41.96 40.21 1k2m s TYR 658 CO 0.25 -0.59 0.44 -1.17 -1.57 0.00 0.00 175.55 172.91 1k2m s LEU 659 N 1.51 5.98 0.00 -1.29 2.96 -0.30 0.21 118.68 127.75 1k2m s LEU 659 Ca 0.04 -1.82 0.00 0.00 -0.22 0.00 0.00 54.13 52.12 1k2m s LEU 659 Cb -0.13 -2.13 0.00 0.00 0.50 0.00 0.00 46.19 44.43 1k2m s LEU 659 CO -0.09 -0.79 0.00 0.59 -1.32 0.00 0.00 176.35 174.74 1k2m n ASN 660 N 5.11 0.00 0.00 3.68 3.02 -1.15 -0.39 115.26 125.53 1k2m n ASN 660 Ca -0.12 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.43 1k2m n ASN 660 Cb 0.40 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.57 1k2m n ASN 660 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1k2m n ASN 661 N 1.45 0.29 -4.68 6.41 3.02 -1.26 -5.06 115.26 115.43 1k2m n ASN 661 Ca 0.00 -1.06 -0.35 0.00 -0.03 0.00 0.00 54.58 53.14 1k2m n ASN 661 Cb 0.00 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.08 1k2m n ASN 661 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1k2m s ASN 662 N -0.06 5.52 0.32 6.41 -0.87 0.47 -5.09 114.94 121.64 1k2m s ASN 662 Ca 0.00 0.15 -0.28 0.00 -1.57 0.00 0.00 52.86 51.16 1k2m s ASN 662 Cb 0.00 -1.78 -0.09 0.00 -0.02 0.00 0.00 41.25 39.36 1k2m s ASN 662 CO 0.00 0.29 1.11 -0.60 -2.57 0.00 0.00 177.10 175.33 1k2m s ARG 663 N -0.32 4.48 -0.54 -0.60 3.52 -1.26 -1.15 118.95 123.08 1k2m s ARG 663 Ca 0.08 1.78 0.04 0.00 -0.13 0.00 0.00 55.73 57.50 1k2m s ARG 663 Cb -0.12 -3.02 0.14 0.00 -1.56 0.00 0.00 34.95 30.39 1k2m s ARG 663 CO 0.02 0.07 0.29 -1.64 -0.81 0.00 0.00 175.30 173.23 1k2m s MET 664 N -1.74 1.98 0.36 5.12 -1.94 0.96 -4.86 119.30 119.19 1k2m s MET 664 Ca 0.48 -2.67 -0.11 0.00 -1.71 0.00 0.00 55.69 51.68 1k2m s MET 664 Cb -0.31 -3.25 -0.07 0.00 2.01 0.00 0.00 34.83 33.22 1k2m s MET 664 CO 0.39 -1.14 0.71 0.96 -0.01 0.00 0.00 175.02 175.94 1k2m s ILE 665 N -0.40 4.81 -0.60 2.53 -4.36 -1.26 -1.04 121.20 120.88 1k2m s ILE 665 Ca 0.18 0.61 -0.38 0.00 -0.26 0.00 0.00 60.65 60.79 1k2m s ILE 665 Cb -0.23 -3.69 -0.18 0.00 1.25 0.00 0.00 42.46 39.61 1k2m s ILE 665 CO -0.02 -0.38 2.30 1.67 0.24 0.00 0.00 174.94 178.75 1k2m n GLN 666 N -0.94 0.23 0.00 0.37 7.27 -1.24 -1.14 117.38 121.94 1k2m n GLN 666 Ca 0.02 0.05 0.00 0.00 0.07 0.00 0.00 57.00 57.14 1k2m n GLN 666 Cb 0.54 -1.75 0.00 0.00 2.41 0.00 0.00 30.24 31.44 1k2m n GLN 666 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1k2m n GLY 667 N 7.02 1.69 3.66 1.69 0.00 0.18 -4.97 105.19 114.47 1k2m n GLY 667 Ca 0.55 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.33 1k2m n GLY 667 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1k2m s THR 668 N -2.00 3.20 -0.05 2.61 -4.23 -0.29 -0.02 115.64 114.85 1k2m s THR 668 Ca 0.00 -1.87 -0.02 0.00 -1.18 0.00 0.00 61.69 58.62 1k2m s THR 668 Cb 0.00 -2.86 0.04 0.00 1.34 0.00 0.00 72.50 71.01 1k2m s THR 668 CO 0.00 -0.30 0.10 -0.75 -0.54 0.00 0.00 174.62 173.13 1k2m s LYS 669 N -3.72 0.04 0.01 3.99 2.20 0.28 -1.20 119.74 121.33 1k2m s LYS 669 Ca 0.34 0.31 0.02 0.00 -0.36 0.00 0.00 55.97 56.27 1k2m s LYS 669 Cb -0.04 -0.21 -0.01 0.00 -1.51 0.00 0.00 37.83 36.05 1k2m s LYS 669 CO 0.20 -0.17 -0.06 0.12 -0.36 0.00 0.00 175.35 175.09 1k2m s PHE 670 N 1.18 0.49 0.32 4.03 5.36 0.13 0.13 117.98 129.63 1k2m s PHE 670 Ca -0.09 -0.21 -0.28 0.00 -0.96 0.00 0.00 56.93 55.39 1k2m s PHE 670 Cb -0.12 -0.31 -0.10 0.00 -0.34 0.00 0.00 43.02 42.15 1k2m s PHE 670 CO -0.05 -0.03 1.17 -1.17 -1.46 0.00 0.00 175.22 173.68 1k2m s LEU 671 N -0.57 4.43 0.05 6.12 0.20 -1.26 0.18 118.68 127.83 1k2m s LEU 671 Ca -0.02 2.40 0.02 0.00 0.69 0.00 0.00 54.13 57.22 1k2m s LEU 671 Cb -0.04 -3.73 -0.04 0.00 -0.43 0.00 0.00 46.19 41.94 1k2m s LEU 671 CO -0.00 -0.38 0.10 -0.76 -0.29 0.00 0.00 176.35 175.02 1k2m s LEU 672 N -1.80 3.90 0.31 -0.68 1.43 -0.30 -4.83 118.68 116.71 1k2m s LEU 672 Ca 0.49 0.07 0.11 0.00 -1.03 0.00 0.00 54.13 53.76 1k2m s LEU 672 Cb -0.34 -2.50 -0.06 0.00 0.03 0.00 0.00 46.19 43.33 1k2m s LEU 672 CO 0.44 0.20 -0.15 -1.10 0.23 0.00 0.00 176.35 175.96 1k2m s GLN 673 N -2.24 1.73 -0.70 1.70 -0.21 -1.16 -4.16 119.66 114.62 1k2m s GLN 673 Ca 0.28 -1.84 -0.26 0.00 0.02 0.00 0.00 55.36 53.57 1k2m s GLN 673 Cb -0.12 -1.71 -0.06 0.00 1.00 0.00 0.00 33.01 32.11 1k2m s GLN 673 CO 0.21 0.24 2.12 0.34 -2.12 0.00 0.00 175.29 176.08 1k2m s ASP 674 N -3.55 4.75 0.00 5.90 -1.08 -1.26 -1.04 116.67 120.39 1k2m s ASP 674 Ca 0.31 0.17 0.00 0.00 -0.52 0.00 0.00 52.55 52.50 1k2m s ASP 674 Cb -0.02 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.91 1k2m s ASP 674 CO 0.15 -2.91 0.00 0.61 0.52 0.00 0.00 175.17 173.54 1k2m n GLY 675 N 6.32 1.73 3.59 2.66 0.00 0.44 -4.88 105.19 115.05 1k2m n GLY 675 Ca 0.35 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.94 1k2m n GLY 675 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1k2m s ASP 676 N -2.00 6.63 -0.45 1.61 2.15 -0.21 -4.71 116.67 119.70 1k2m s ASP 676 Ca 0.00 0.46 -0.18 0.00 0.43 0.00 0.00 52.55 53.26 1k2m s ASP 676 Cb 0.00 -2.46 0.04 0.00 -0.30 0.00 0.00 42.92 40.19 1k2m s ASP 676 CO 0.00 -0.92 0.51 -1.61 -0.17 0.00 0.00 175.17 172.98 1k2m s GLU 677 N 3.57 3.12 -0.14 4.34 8.01 -1.26 0.11 118.70 136.45 1k2m s GLU 677 Ca 0.38 -0.79 -0.05 0.00 0.01 0.00 0.00 54.97 54.52 1k2m s GLU 677 Cb -0.11 -4.01 -0.04 0.00 -4.31 0.00 0.00 34.13 25.66 1k2m s GLU 677 CO 0.21 -0.98 0.04 0.96 0.01 0.00 0.00 175.26 175.49 1k2m s ILE 678 N 2.31 4.58 -0.34 -1.63 -4.36 0.13 -2.94 121.20 118.94 1k2m s ILE 678 Ca 0.14 -0.13 -0.17 0.00 -0.26 0.00 0.00 60.65 60.23 1k2m s ILE 678 Cb -0.18 -3.00 -0.01 0.00 1.25 0.00 0.00 42.46 40.52 1k2m s ILE 678 CO 0.13 0.54 0.44 -0.54 0.24 0.00 0.00 174.94 175.75 1k2m s LYS 679 N -0.27 3.62 0.01 0.37 1.02 0.55 -0.58 119.74 124.46 1k2m s LYS 679 Ca 0.07 -0.26 -0.01 0.00 0.02 0.00 0.00 55.97 55.79 1k2m s LYS 679 Cb -0.12 -3.80 -0.27 0.00 -0.52 0.00 0.00 37.83 33.12 1k2m s LYS 679 CO 0.02 -0.57 0.86 0.82 -0.92 0.00 0.00 175.35 175.57 1k2m h ILE 680 N 5.56 1.16 -2.40 2.17 2.04 -1.82 1.62 117.51 125.85 1k2m h ILE 680 Ca -0.29 -2.83 -0.06 0.00 1.00 0.00 0.00 64.86 62.68 1k2m h ILE 680 Cb 1.14 2.73 -0.24 0.00 -0.74 0.00 0.00 36.82 39.70 1k2m h ILE 680 CO 0.73 0.80 -0.17 -0.51 0.00 0.00 0.00 178.15 179.00 1k2m s ILE 681 N -2.62 -0.02 -0.04 -0.67 2.07 -1.26 -4.24 121.20 114.43 1k2m s ILE 681 Ca -0.08 0.06 -0.00 0.00 -1.41 0.00 0.00 60.65 59.21 1k2m s ILE 681 Cb 0.07 -0.76 0.03 0.00 0.13 0.00 0.00 42.46 41.93 1k2m s ILE 681 CO 0.85 0.02 0.00 0.86 -1.91 0.00 0.00 174.94 174.76 1k2m s TRP 682 N 1.46 0.40 -0.18 3.50 -0.00 -1.23 0.12 118.94 123.03 1k2m s TRP 682 Ca -0.10 -0.03 0.01 0.00 -0.00 0.00 0.00 56.10 55.98 1k2m s TRP 682 Cb -0.07 -0.53 0.04 0.00 -0.00 0.00 0.00 33.47 32.91 1k2m s TRP 682 CO -0.15 -0.19 -0.11 0.34 -0.00 0.00 0.00 176.95 176.84 1k2m s ASP 683 N 1.35 3.10 0.06 5.86 -1.08 0.33 -4.94 116.67 121.36 1k2m s ASP 683 Ca -0.05 -0.73 -0.20 0.00 -0.52 0.00 0.00 52.55 51.05 1k2m s ASP 683 Cb -0.13 -1.19 -0.11 0.00 -1.46 0.00 0.00 42.92 40.03 1k2m s ASP 683 CO -0.02 -0.12 1.45 0.50 0.52 0.00 0.00 175.17 177.50 1k2m h LYS 684 N 8.01 0.36 0.17 4.34 3.64 -1.94 0.69 116.57 131.84 1k2m h LYS 684 Ca -0.31 -0.14 -0.30 0.00 -1.27 0.00 0.00 60.65 58.62 1k2m h LYS 684 Cb 1.11 -0.02 0.03 0.00 -0.41 0.00 0.00 32.23 32.94 1k2m h LYS 684 CO 0.49 0.63 -1.30 -0.91 -2.27 0.00 0.00 179.45 176.09 1k2m h ASN 685 N 0.08 0.84 1.12 4.20 4.21 -1.98 -3.28 115.58 120.77 1k2m h ASN 685 Ca 0.05 -0.87 0.00 0.00 1.21 0.00 0.00 56.30 56.69 1k2m h ASN 685 Cb 0.50 -0.27 0.00 0.00 -1.12 0.00 0.00 38.32 37.43 1k2m h ASN 685 CO 0.02 1.63 -0.23 -3.20 -1.29 0.00 0.00 177.43 174.36 1k2m n ASN 686 N -3.80 0.61 -0.74 5.81 2.85 -1.24 -4.91 115.26 113.84 1k2m n ASN 686 Ca -0.15 0.35 -0.10 0.00 -0.11 0.00 0.00 54.58 54.57 1k2m n ASN 686 Cb 1.02 -0.36 -0.04 0.00 1.24 0.00 0.00 39.78 41.63 1k2m n ASN 686 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 1k2m n LYS 687 N -2.02 -1.41 -2.42 1.20 4.81 0.24 -4.91 118.16 113.65 1k2m n LYS 687 Ca 0.05 0.80 -0.42 0.00 -0.87 0.00 0.00 58.31 57.88 1k2m n LYS 687 Cb 0.41 -5.04 -0.03 0.00 0.02 0.00 0.00 35.03 30.39 1k2m n LYS 687 CO 0.00 0.00 0.00 0.12 1.17 0.00 0.00 177.40 178.69 1k2m s PHE 688 N -1.99 2.31 -0.14 5.64 5.36 -1.03 -4.80 117.98 123.32 1k2m s PHE 688 Ca 0.00 0.43 0.01 0.00 -0.96 0.00 0.00 56.93 56.41 1k2m s PHE 688 Cb 0.00 -4.42 -0.00 0.00 -0.34 0.00 0.00 43.02 38.26 1k2m s PHE 688 CO 0.00 -1.94 -0.18 0.54 -1.46 0.00 0.00 175.22 172.18 1k2m s VAL 689 N 5.97 2.50 0.15 3.12 0.11 -1.26 0.12 120.40 131.11 1k2m s VAL 689 Ca 0.50 -0.83 0.07 0.00 -2.93 0.00 0.00 61.98 58.78 1k2m s VAL 689 Cb -0.10 -2.03 -0.04 0.00 -1.53 0.00 0.00 36.38 32.67 1k2m s VAL 689 CO 0.24 0.53 -0.15 -0.63 -3.33 0.00 0.00 175.10 171.76 1k2m s ILE 690 N 0.70 1.54 0.00 7.04 -1.09 0.33 -1.61 121.20 128.11 1k2m s ILE 690 Ca -0.08 -1.87 0.00 0.00 -2.23 0.00 0.00 60.65 56.47 1k2m s ILE 690 Cb -0.16 -1.73 0.00 0.00 -1.58 0.00 0.00 42.46 39.00 1k2m s ILE 690 CO 0.01 -0.43 0.00 0.61 -1.23 0.00 0.00 174.94 173.91 1k2m n GLY 691 N 0.28 1.59 3.54 6.18 0.00 -1.26 -3.53 105.19 111.99 1k2m n GLY 691 Ca -0.13 0.26 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 1k2m n GLY 691 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1k2m s PHE 692 N -0.05 2.73 -0.31 1.61 0.08 0.26 -2.67 117.98 119.63 1k2m s PHE 692 Ca 0.00 -0.15 -0.11 0.00 0.12 0.00 0.00 56.93 56.79 1k2m s PHE 692 Cb 0.00 -1.51 -0.02 0.00 -0.57 0.00 0.00 43.02 40.92 1k2m s PHE 692 CO 0.00 0.35 0.20 0.21 -0.10 0.00 0.00 175.22 175.87 1k2m s LYS 693 N -1.66 3.60 -0.09 0.44 2.20 -1.04 -0.70 119.74 122.49 1k2m s LYS 693 Ca 0.17 -0.56 -0.28 0.00 -0.36 0.00 0.00 55.97 54.95 1k2m s LYS 693 Cb -0.11 -3.68 -0.02 0.00 -1.51 0.00 0.00 37.83 32.51 1k2m s LYS 693 CO 0.09 -0.35 0.91 0.08 -0.36 0.00 0.00 175.35 175.72 1k2m s VAL 694 N 1.70 4.87 -0.21 4.02 1.01 0.29 -0.45 120.40 131.63 1k2m s VAL 694 Ca 0.06 1.85 -0.02 0.00 0.00 0.00 0.00 61.98 63.87 1k2m s VAL 694 Cb -0.17 -4.23 0.06 0.00 0.00 0.00 0.00 36.38 32.05 1k2m s VAL 694 CO 0.09 0.08 0.03 -1.61 0.00 0.00 0.00 175.10 173.70 1k2m s GLU 695 N 1.64 0.76 -0.53 2.72 2.02 0.48 0.17 118.70 125.96 1k2m s GLU 695 Ca 0.45 -0.55 -0.28 0.00 0.02 0.00 0.00 54.97 54.61 1k2m s GLU 695 Cb -0.18 -2.14 0.00 0.00 0.10 0.00 0.00 34.13 31.91 1k2m s GLU 695 CO 0.19 -0.68 1.54 0.42 0.02 0.00 0.00 175.26 176.75 1k2m s ILE 696 N 1.79 3.68 -0.13 -1.63 1.01 -1.26 0.01 121.20 124.66 1k2m s ILE 696 Ca -0.00 0.58 -0.23 0.00 0.00 0.00 0.00 60.65 61.00 1k2m s ILE 696 Cb -0.17 -4.23 -0.25 0.00 0.01 0.00 0.00 42.46 37.81 1k2m s ILE 696 CO -0.10 -1.00 0.61 0.78 0.00 0.00 0.00 174.94 175.23 1k2m h ASN 697 N 11.95 0.16 -3.77 3.58 -0.26 -1.53 -3.46 115.58 122.25 1k2m h ASN 697 Ca -0.28 -0.84 -0.69 0.00 -0.56 0.00 0.00 56.30 53.94 1k2m h ASN 697 Cb 1.12 -0.05 -0.20 0.00 -1.06 0.00 0.00 38.32 38.12 1k2m h ASN 697 CO 1.16 1.32 -0.72 -0.62 -1.06 0.00 0.00 177.43 177.52 1k2m s ASP 698 N -6.68 4.47 -0.39 5.81 2.15 -1.11 -5.03 116.67 115.88 1k2m s ASP 698 Ca -0.21 -0.08 -0.01 0.00 0.43 0.00 0.00 52.55 52.68 1k2m s ASP 698 Cb 0.01 -1.07 0.11 0.00 -0.30 0.00 0.00 42.92 41.68 1k2m s ASP 698 CO 0.71 0.35 0.17 0.42 -0.17 0.00 0.00 175.17 176.64 1k2m s THR 699 N -0.80 3.02 -1.19 1.71 -4.23 -1.26 -4.61 115.64 108.28 1k2m s THR 699 Ca 0.12 -2.15 -0.17 0.00 -1.18 0.00 0.00 61.69 58.31 1k2m s THR 699 Cb -0.11 -3.10 -0.04 0.00 1.34 0.00 0.00 72.50 70.59 1k2m s THR 699 CO 0.02 -0.67 2.13 0.41 -0.54 0.00 0.00 174.62 175.96 1k2m n THR 700 N 4.48 2.82 -3.26 3.99 -1.04 -1.26 -4.22 114.28 115.79 1k2m n THR 700 Ca -0.00 -2.42 -0.15 0.00 -2.04 0.00 0.00 64.05 59.43 1k2m n THR 700 Cb 0.41 -2.49 0.08 0.00 -1.82 0.00 0.00 70.33 66.51 1k2m n THR 700 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1k2m n GLY 701 N 4.25 -0.26 3.74 3.41 0.00 -1.26 -4.69 105.19 110.37 1k2m n GLY 701 Ca 0.52 0.03 -0.40 0.00 0.00 0.00 0.00 46.02 46.17 1k2m n GLY 701 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k2m s LEU 702 N -5.85 4.41 0.50 0.99 2.01 -1.26 -3.18 118.68 116.31 1k2m s LEU 702 Ca 0.03 1.35 0.36 0.00 0.01 0.00 0.00 54.13 55.88 1k2m s LEU 702 Cb -0.01 -3.16 1.51 0.00 0.01 0.00 0.00 46.19 44.54 1k2m s LEU 702 CO 0.64 -0.01 1.70 2.19 1.01 0.00 0.00 176.35 181.88 1k2m h PHE 703 N 5.94 0.21 0.00 0.29 -0.00 -1.87 -3.37 116.94 118.13 1k2m h PHE 703 Ca -0.43 0.01 0.00 0.00 -0.00 0.00 0.00 57.97 57.54 1k2m h PHE 703 Cb 1.20 -0.06 0.00 0.00 -0.00 0.00 0.00 35.95 37.10 1k2m h PHE 703 CO 0.65 -0.04 0.00 -1.71 -0.00 0.00 0.00 178.31 177.21 1k2m n ASN 704 N -4.29 -1.21 0.00 -0.68 5.15 -1.26 -4.92 115.26 108.05 1k2m n ASN 704 Ca 0.33 0.42 0.00 0.00 -0.60 0.00 0.00 54.58 54.73 1k2m n ASN 704 Cb 1.43 1.29 0.00 0.00 -0.53 0.00 0.00 39.78 41.97 1k2m n ASN 704 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 1k2m n GLU 705 N -3.11 0.00 0.00 1.20 0.28 -1.26 -4.90 120.64 112.85 1k2m n GLU 705 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1k2m n GLU 705 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1k2m n GLU 705 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1k2m n GLY 706 N 0.00 0.06 0.08 -1.84 0.00 -1.26 -4.64 105.19 97.59 1k2m n GLY 706 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 1k2m n GLY 706 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1k2m n LEU 707 N 0.00 0.25 -4.15 0.99 -0.00 -1.26 -2.98 117.00 109.85 1k2m n LEU 707 Ca 0.00 -0.12 -0.28 0.00 -0.00 0.00 0.00 56.01 55.61 1k2m n LEU 707 Cb 0.00 -0.03 -0.16 0.00 -0.00 0.00 0.00 43.42 43.23 1k2m n LEU 707 CO 0.00 0.06 -0.52 -0.83 -0.00 0.00 0.00 177.39 176.10 1k2m s GLY 708 N -1.22 1.05 0.05 -3.96 0.00 -1.26 -5.03 107.32 96.94 1k2m s GLY 708 Ca 0.13 -0.75 0.04 0.00 0.00 0.00 0.00 44.72 44.14 1k2m s GLY 708 CO 0.10 -0.29 -0.04 -0.29 0.00 0.00 0.00 173.10 172.57 1k2m s MET 709 N 0.21 2.51 0.00 2.90 1.75 -1.26 -5.05 119.30 120.37 1k2m s MET 709 Ca -0.10 -0.79 0.00 0.00 -1.25 0.00 0.00 55.69 53.55 1k2m s MET 709 Cb -0.14 -2.50 0.00 0.00 2.84 0.00 0.00 34.83 35.02 1k2m s MET 709 CO 0.04 0.57 0.00 1.47 -0.65 0.00 0.00 175.02 176.45 1k2m n LEU 710 N 1.10 0.00 -0.34 4.11 -0.00 -1.26 -4.71 117.00 115.90 1k2m n LEU 710 Ca -0.14 0.00 0.14 0.00 -0.00 0.00 0.00 56.01 56.01 1k2m n LEU 710 Cb 0.52 0.00 0.27 0.00 -0.00 0.00 0.00 43.42 44.21 1k2m n LEU 710 CO 0.34 -0.75 0.77 0.00 -0.00 0.00 0.00 177.39 177.74 1k2m n GLN 711 N -0.43 -0.08 -2.46 1.47 1.13 -1.26 -4.34 117.38 111.41 1k2m n GLN 711 Ca 0.00 1.47 -0.40 0.00 -1.94 0.00 0.00 57.00 56.13 1k2m n GLN 711 Cb 0.00 -2.33 -0.04 0.00 0.11 0.00 0.00 30.24 27.98 1k2m n GLN 711 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1k2m s GLU 712 N -6.01 4.63 -0.70 -1.09 0.41 -1.26 -4.97 118.70 109.71 1k2m s GLU 712 Ca -0.13 1.82 -0.25 0.00 -0.41 0.00 0.00 54.97 55.99 1k2m s GLU 712 Cb 0.29 -3.19 0.04 0.00 -1.78 0.00 0.00 34.13 29.49 1k2m s GLU 712 CO 0.76 0.20 1.16 -0.65 -0.49 0.00 0.00 175.26 176.24 1k2m s GLN 713 N -1.42 3.18 -0.29 1.61 -1.52 -1.26 -4.53 119.66 115.41 1k2m s GLN 713 Ca 0.45 -0.42 -0.26 0.00 -1.95 0.00 0.00 55.36 53.18 1k2m s GLN 713 Cb -0.32 -4.19 0.04 0.00 -0.22 0.00 0.00 33.01 28.32 1k2m s GLN 713 CO 0.41 -2.01 0.44 0.54 -0.25 0.00 0.00 175.29 174.42 1k2m n ARG 714 N 8.74 -1.36 -4.82 2.91 5.12 -1.26 -4.99 116.66 121.00 1k2m n ARG 714 Ca 0.01 1.21 -0.26 0.00 -1.93 0.00 0.00 57.85 56.87 1k2m n ARG 714 Cb 0.48 -1.69 -0.15 0.00 -1.16 0.00 0.00 32.46 29.94 1k2m n ARG 714 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1k2m s VAL 715 N -1.31 1.62 -0.29 1.55 -7.23 -1.26 -4.92 120.40 108.56 1k2m s VAL 715 Ca 0.25 -1.01 -0.27 0.00 -1.81 0.00 0.00 61.98 59.14 1k2m s VAL 715 Cb -0.03 -1.37 0.01 0.00 0.56 0.00 0.00 36.38 35.55 1k2m s VAL 715 CO 0.58 0.34 0.94 0.54 -0.31 0.00 0.00 175.10 177.18 1k2m s VAL 716 N -0.62 4.67 0.69 1.32 0.11 -1.26 -4.67 120.40 120.64 1k2m s VAL 716 Ca 0.08 1.57 -0.04 0.00 -2.93 0.00 0.00 61.98 60.65 1k2m s VAL 716 Cb -0.08 -4.27 0.07 0.00 -1.53 0.00 0.00 36.38 30.57 1k2m s VAL 716 CO 0.00 -0.30 0.98 -0.76 -3.33 0.00 0.00 175.10 171.69 1k2m s LEU 717 N 3.24 2.94 0.20 2.54 1.02 0.36 -4.86 118.68 124.13 1k2m s LEU 717 Ca 0.39 0.21 0.04 0.00 0.02 0.00 0.00 54.13 54.79 1k2m s LEU 717 Cb -0.14 -2.82 -0.03 0.00 0.02 0.00 0.00 46.19 43.22 1k2m s LEU 717 CO 0.12 -1.61 0.32 -0.75 0.02 0.00 0.00 176.35 174.45 1k2m s LYS 718 N -5.16 3.42 0.42 1.70 2.20 -1.26 0.98 119.74 122.04 1k2m s LYS 718 Ca 0.61 -0.70 -0.11 0.00 -0.36 0.00 0.00 55.97 55.41 1k2m s LYS 718 Cb -0.09 -2.91 -0.07 0.00 -1.51 0.00 0.00 37.83 33.25 1k2m s LYS 718 CO 0.44 0.47 0.80 -0.65 -0.36 0.00 0.00 175.35 176.05 1k2m s GLN 719 N -3.63 3.80 0.31 4.03 -0.21 0.96 -4.54 119.66 120.38 1k2m s GLN 719 Ca 0.34 0.53 0.02 0.00 0.02 0.00 0.00 55.36 56.27 1k2m s GLN 719 Cb -0.10 -2.36 -0.01 0.00 1.00 0.00 0.00 33.01 31.55 1k2m s GLN 719 CO 0.29 -0.07 0.06 0.25 -2.12 0.00 0.00 175.29 173.70 1k2m n THR 720 N -1.34 0.00 0.13 -0.19 -2.24 -1.26 -4.97 114.28 104.42 1k2m n THR 720 Ca 0.03 -1.64 0.14 0.00 -2.27 0.00 0.00 64.05 60.32 1k2m n THR 720 Cb 0.54 0.48 0.68 0.00 -2.10 0.00 0.00 70.33 69.93 1k2m n THR 720 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1k2m h ALA 721 N 1.35 2.23 0.19 6.98 0.00 -1.98 -1.28 119.26 126.73 1k2m h ALA 721 Ca -0.25 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1k2m h ALA 721 Cb 0.85 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1k2m h ALA 721 CO 0.40 -0.33 -0.09 1.49 0.00 0.00 0.00 179.25 180.72 1k2m h GLU 722 N 0.00 -0.24 -0.22 0.00 4.57 -1.99 -1.08 114.58 115.61 1k2m h GLU 722 Ca 0.12 0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.30 1k2m h GLU 722 Cb 0.51 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.14 1k2m h GLU 722 CO -0.00 -0.02 0.05 0.93 -1.18 0.00 0.00 179.01 178.79 1k2m h GLU 723 N -0.43 0.35 -0.52 1.92 4.39 -1.80 -2.68 114.58 115.81 1k2m h GLU 723 Ca -0.03 -0.09 0.09 0.00 0.34 0.00 0.00 59.36 59.68 1k2m h GLU 723 Cb 0.33 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.91 1k2m h GLU 723 CO 0.04 0.47 0.35 -0.22 -1.16 0.00 0.00 179.01 178.49 1k2m h LYS 724 N 0.17 0.31 -0.38 2.33 3.64 -1.25 -0.79 116.57 120.60 1k2m h LYS 724 Ca 0.07 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.32 1k2m h LYS 724 Cb 0.28 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 1k2m h LYS 724 CO 0.00 0.20 -0.20 0.22 -2.27 0.00 0.00 179.45 177.41 1k2m h ASP 725 N 0.32 0.73 -0.60 4.20 1.82 -0.86 -1.03 116.42 120.99 1k2m h ASP 725 Ca 0.24 -0.25 0.01 0.00 -0.39 0.00 0.00 57.03 56.64 1k2m h ASP 725 Cb 0.52 -0.20 -0.03 0.00 0.68 0.00 0.00 39.33 40.30 1k2m h ASP 725 CO -0.05 0.92 0.40 -0.07 -1.61 0.00 0.00 179.24 178.82 1k2m h LEU 726 N 0.64 0.68 -0.01 2.28 3.38 -0.94 -2.24 115.31 119.10 1k2m h LEU 726 Ca 0.10 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1k2m h LEU 726 Cb 0.68 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 1k2m h LEU 726 CO 0.05 0.49 -0.04 1.62 0.09 0.00 0.00 178.44 180.65 1k2m h VAL 727 N 0.80 0.06 -0.31 1.22 3.04 -1.42 -3.33 116.25 116.32 1k2m h VAL 727 Ca 0.22 -1.08 0.07 0.00 -1.01 0.00 0.00 66.70 64.90 1k2m h VAL 727 Cb -0.08 2.03 -0.06 0.00 -2.01 0.00 0.00 31.29 31.17 1k2m h VAL 727 CO -0.06 0.03 -0.11 0.50 -1.01 0.00 0.00 177.57 176.93 1k2m h LYS 728 N 0.00 -0.05 0.00 4.17 3.11 -0.54 0.17 116.57 123.43 1k2m h LYS 728 Ca -0.00 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.83 1k2m h LYS 728 Cb 1.02 0.01 -0.00 0.00 -1.00 0.00 0.00 32.23 32.26 1k2m h LYS 728 CO 0.00 -0.03 -0.08 0.87 -2.81 0.00 0.00 179.45 177.41 1k2m h LYS 729 N -0.05 0.00 0.00 1.90 1.57 -1.66 -3.51 116.57 114.82 1k2m h LYS 729 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1k2m h LYS 729 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1k2m h LYS 729 CO -0.35 0.08 0.00 -0.11 -0.57 0.00 0.00 179.45 178.50