#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k2m h ASN 574 N 0.00 0.00 0.00 1.61 7.08 -2.03 -3.45 115.58 118.79 1k2m h ASN 574 Ca 0.00 -0.01 0.00 0.00 -3.08 0.00 0.00 56.30 53.21 1k2m h ASN 574 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 1k2m h ASN 574 CO 0.00 0.00 0.00 0.61 -2.08 0.00 0.00 177.43 175.96 1k2m n GLY 575 N 1.15 0.09 3.69 9.14 0.00 -1.26 -5.09 105.19 112.91 1k2m n GLY 575 Ca 0.02 -0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 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 0.15 1.61 3.00 -1.26 -2.51 118.95 122.88 1k2m s ARG 576 Ca 0.00 -0.47 0.00 0.00 -1.00 0.00 0.00 55.73 54.26 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 0.67 0.00 0.34 0.00 0.00 0.00 175.30 176.31 1k2m n PHE 577 N 1.82 -0.84 -4.33 5.12 7.35 -0.98 -4.23 117.46 121.36 1k2m n PHE 577 Ca -0.17 0.15 -0.35 0.00 -0.76 0.00 0.00 57.45 56.32 1k2m n PHE 577 Cb 0.53 0.21 -0.09 0.00 0.35 0.00 0.00 39.48 40.48 1k2m n PHE 577 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 1k2m s LEU 578 N -6.78 3.64 -0.25 -2.13 0.20 -0.96 -0.73 118.68 111.67 1k2m s LEU 578 Ca 0.00 0.16 -0.01 0.00 0.69 0.00 0.00 54.13 54.97 1k2m s LEU 578 Cb 0.00 -1.84 0.03 0.00 -0.43 0.00 0.00 46.19 43.95 1k2m s LEU 578 CO 0.00 0.37 -0.07 -0.89 -0.29 0.00 0.00 176.35 175.47 1k2m s THR 579 N -0.83 2.80 -0.39 3.68 2.01 0.82 0.15 115.64 123.88 1k2m s THR 579 Ca 0.13 -1.06 -0.10 0.00 0.31 0.00 0.00 61.69 60.97 1k2m s THR 579 Cb -0.11 -2.43 0.05 0.00 0.01 0.00 0.00 72.50 70.01 1k2m s THR 579 CO 0.02 0.20 0.22 -0.76 -0.69 0.00 0.00 174.62 173.61 1k2m s LEU 580 N 1.31 4.83 -0.34 4.42 1.43 0.50 0.13 118.68 130.97 1k2m s LEU 580 Ca -0.00 -1.17 0.04 0.00 -1.03 0.00 0.00 54.13 51.97 1k2m s LEU 580 Cb -0.17 -2.00 0.10 0.00 0.03 0.00 0.00 46.19 44.15 1k2m s LEU 580 CO -0.05 -0.43 0.05 -1.59 0.23 0.00 0.00 176.35 174.56 1k2m s LYS 581 N 1.50 1.50 -0.82 1.70 -2.85 -0.46 0.16 119.74 120.47 1k2m s LYS 581 Ca 0.02 -1.87 -0.29 0.00 -1.00 0.00 0.00 55.97 52.83 1k2m s LYS 581 Cb -0.20 -3.21 -0.17 0.00 -2.06 0.00 0.00 37.83 32.19 1k2m s LYS 581 CO 0.05 -0.93 2.60 -2.30 0.10 0.00 0.00 175.35 174.87 1k2m n PRO 582 N 4.26 0.36 -1.79 1.78 -0.02 0.11 -2.65 135.00 137.05 1k2m n PRO 582 Ca 0.04 -0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.20 1k2m n PRO 582 Cb 0.42 -2.17 0.03 0.00 -0.02 0.00 0.00 33.50 31.76 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 10.12 3.30 0.55 2.45 2.34 -0.96 -1.82 118.68 134.67 1k2m s LEU 583 Ca 1.23 1.71 0.31 0.00 0.06 0.00 0.00 54.13 57.44 1k2m s LEU 583 Cb -0.89 -4.51 1.48 0.00 -0.56 0.00 0.00 46.19 41.71 1k2m s LEU 583 CO 0.41 -1.32 1.88 1.55 -1.06 0.00 0.00 176.35 177.80 1k2m h PRO 584 N -0.19 0.00 0.00 1.48 0.13 -1.90 0.64 132.00 132.17 1k2m h PRO 584 Ca -0.45 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 1k2m h PRO 584 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 1k2m h PRO 584 CO 0.57 0.00 -0.05 -0.44 -0.23 0.00 0.00 178.00 177.85 1k2m h ASP 585 N 0.00 0.00 -2.98 1.44 3.32 -1.92 -3.42 116.42 112.87 1k2m h ASP 585 Ca 0.39 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.90 1k2m h ASP 585 Cb 1.66 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 41.18 1k2m h ASP 585 CO -0.00 0.05 -0.30 -0.55 -1.72 0.00 0.00 179.24 176.72 1k2m s SER 586 N -6.16 6.42 0.41 6.45 0.15 0.22 -4.93 113.70 116.25 1k2m s SER 586 Ca -0.04 0.50 0.19 0.00 0.70 0.00 0.00 55.95 57.30 1k2m s SER 586 Cb 0.14 -2.05 1.04 0.00 -1.71 0.00 0.00 66.02 63.45 1k2m s SER 586 CO 0.56 -0.05 1.53 -0.29 1.20 0.00 0.00 173.24 176.20 1k2m h ILE 587 N 1.63 0.00 -3.41 6.45 2.10 0.94 -3.40 117.51 121.82 1k2m h ILE 587 Ca -0.47 0.00 -0.66 0.00 1.08 0.00 0.00 64.86 64.80 1k2m h ILE 587 Cb 1.18 0.43 -0.18 0.00 -1.09 0.00 0.00 36.82 37.16 1k2m h ILE 587 CO 0.69 0.00 -0.65 -0.63 -1.08 0.00 0.00 178.15 176.47 1k2m s ILE 588 N -3.56 4.02 -0.51 2.19 1.01 -1.26 -5.04 121.20 118.05 1k2m s ILE 588 Ca -0.02 -0.34 0.06 0.00 0.00 0.00 0.00 60.65 60.34 1k2m s ILE 588 Cb 0.06 -2.71 0.37 0.00 0.01 0.00 0.00 42.46 40.19 1k2m s ILE 588 CO 0.17 0.56 1.00 0.00 0.00 0.00 0.00 174.94 176.68 1k2m n GLN 589 N 2.69 3.17 -4.52 2.79 3.00 -1.23 -3.51 117.38 119.77 1k2m n GLN 589 Ca -0.18 -4.63 -0.24 0.00 -0.01 0.00 0.00 57.00 51.94 1k2m n GLN 589 Cb 0.53 -2.20 -0.11 0.00 0.00 0.00 0.00 30.24 28.47 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 -3.45 1.77 -0.12 -1.09 0.41 -0.75 -4.98 118.70 110.49 1k2m s GLU 590 Ca 0.48 -1.99 -0.01 0.00 -0.41 0.00 0.00 54.97 53.04 1k2m s GLU 590 Cb 0.33 -1.21 0.03 0.00 -1.78 0.00 0.00 34.13 31.51 1k2m s GLU 590 CO -0.15 -0.11 -0.05 -1.54 -0.49 0.00 0.00 175.26 172.92 1k2m s SER 591 N -3.58 2.18 0.04 -0.19 1.04 -1.26 0.10 113.70 112.03 1k2m s SER 591 Ca 0.35 -0.33 0.05 0.00 0.48 0.00 0.00 55.95 56.50 1k2m s SER 591 Cb 0.09 -0.75 -0.03 0.00 0.10 0.00 0.00 66.02 65.43 1k2m s SER 591 CO 0.16 -0.16 -0.12 -0.76 0.98 0.00 0.00 173.24 173.35 1k2m s LEU 592 N 1.77 2.91 -0.13 2.42 2.01 0.42 -4.93 118.68 123.15 1k2m s LEU 592 Ca 0.04 -0.30 0.01 0.00 0.01 0.00 0.00 54.13 53.89 1k2m s LEU 592 Cb -0.13 -1.69 0.02 0.00 0.01 0.00 0.00 46.19 44.39 1k2m s LEU 592 CO -0.07 0.25 -0.16 -1.61 1.01 0.00 0.00 176.35 175.77 1k2m s GLU 593 N -1.55 2.34 -0.49 1.70 8.01 -1.26 0.19 118.70 127.64 1k2m s GLU 593 Ca 0.17 -0.60 -0.29 0.00 0.01 0.00 0.00 54.97 54.27 1k2m s GLU 593 Cb -0.11 -2.03 0.02 0.00 -4.31 0.00 0.00 34.13 27.70 1k2m s GLU 593 CO 0.08 -0.12 1.24 0.42 0.01 0.00 0.00 175.26 176.88 1k2m s ILE 594 N 1.15 4.06 0.00 -1.63 1.01 0.41 -4.93 121.20 121.26 1k2m s ILE 594 Ca -0.02 1.04 -0.30 0.00 0.00 0.00 0.00 60.65 61.36 1k2m s ILE 594 Cb -0.14 -4.52 -0.07 0.00 0.01 0.00 0.00 42.46 37.74 1k2m s ILE 594 CO -0.05 -1.03 1.68 -1.10 0.00 0.00 0.00 174.94 174.43 1k2m s GLN 595 N 4.77 4.19 0.56 2.79 1.11 -1.26 -2.27 119.66 129.56 1k2m s GLN 595 Ca 0.51 2.28 0.35 0.00 0.01 0.00 0.00 55.36 58.50 1k2m s GLN 595 Cb -0.09 -3.84 1.47 0.00 -1.01 0.00 0.00 33.01 29.54 1k2m s GLN 595 CO 0.30 -0.80 1.74 -0.56 0.01 0.00 0.00 175.29 175.98 1k2m h GLN 596 N 9.12 0.00 0.00 2.91 -0.00 -1.75 0.84 115.11 126.23 1k2m h GLN 596 Ca -0.42 0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 58.20 1k2m h GLN 596 Cb 1.19 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.67 1k2m h GLN 596 CO 0.94 0.00 -0.17 0.78 -0.00 0.00 0.00 178.83 180.38 1k2m h GLY 597 N 0.00 0.00 -7.68 0.06 0.00 -1.88 -3.42 103.07 90.14 1k2m h GLY 597 Ca 0.51 0.00 -0.65 0.00 0.00 0.00 0.00 47.33 47.18 1k2m h GLY 597 CO -0.01 0.00 -0.43 0.14 0.00 0.00 0.00 176.54 176.25 1k2m s VAL 598 N -3.57 5.26 -0.04 4.60 1.01 0.29 -5.05 120.40 122.90 1k2m s VAL 598 Ca 0.01 0.08 -0.02 0.00 0.00 0.00 0.00 61.98 62.06 1k2m s VAL 598 Cb 0.09 -3.66 0.03 0.00 0.00 0.00 0.00 36.38 32.84 1k2m s VAL 598 CO 0.63 0.10 0.07 0.21 0.00 0.00 0.00 175.10 176.10 1k2m s ASN 599 N 1.73 0.80 0.43 3.32 2.47 -1.26 -4.00 114.94 118.43 1k2m s ASN 599 Ca 0.09 0.11 -0.03 0.00 0.42 0.00 0.00 52.86 53.45 1k2m s ASN 599 Cb -0.16 -0.06 -0.04 0.00 -1.45 0.00 0.00 41.25 39.54 1k2m s ASN 599 CO 0.11 -0.22 0.70 -2.16 -3.72 0.00 0.00 177.10 171.81 1k2m s PRO 600 N 1.91 3.53 -0.33 0.43 0.04 -1.26 -5.03 135.00 134.28 1k2m s PRO 600 Ca 0.01 0.01 -0.19 0.00 0.04 0.00 0.00 61.00 60.87 1k2m s PRO 600 Cb -0.12 -2.48 -0.01 0.00 0.04 0.00 0.00 34.50 31.93 1k2m s PRO 600 CO -0.03 -0.07 0.55 0.12 0.04 0.00 0.00 177.00 177.61 1k2m s PHE 601 N -2.57 3.19 -0.01 0.56 5.36 0.18 -4.93 117.98 119.77 1k2m s PHE 601 Ca 0.45 0.35 -0.16 0.00 -0.96 0.00 0.00 56.93 56.61 1k2m s PHE 601 Cb -0.10 -2.94 -0.06 0.00 -0.34 0.00 0.00 43.02 39.58 1k2m s PHE 601 CO 0.41 -0.50 0.43 -0.06 -1.46 0.00 0.00 175.22 174.04 1k2m s PHE 602 N 2.48 3.70 0.06 10.12 0.08 -1.26 0.38 117.98 133.53 1k2m s PHE 602 Ca 0.21 1.00 0.07 0.00 0.12 0.00 0.00 56.93 58.34 1k2m s PHE 602 Cb -0.15 -2.35 -0.03 0.00 -0.57 0.00 0.00 43.02 39.92 1k2m s PHE 602 CO 0.13 0.56 -0.21 0.42 -0.10 0.00 0.00 175.22 176.02 1k2m s ILE 603 N -0.79 1.66 -5.00 0.64 1.09 0.32 0.16 121.20 119.28 1k2m s ILE 603 Ca 0.24 -1.28 0.00 0.00 -1.10 0.00 0.00 60.65 58.51 1k2m s ILE 603 Cb -0.17 -1.46 0.00 0.00 -1.06 0.00 0.00 42.46 39.77 1k2m s ILE 603 CO 0.13 0.13 0.00 0.61 -0.10 0.00 0.00 174.94 175.71 1k2m n GLY 604 N 1.65 -1.84 0.07 6.18 0.00 -1.13 -2.84 105.19 107.26 1k2m n GLY 604 Ca -0.18 -1.31 -0.13 0.00 0.00 0.00 0.00 46.02 44.41 1k2m n GLY 604 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1k2m h ARG 605 N 0.39 -0.06 -6.64 1.61 3.08 0.18 0.35 114.38 113.30 1k2m h ARG 605 Ca 0.00 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.53 1k2m h ARG 605 Cb 0.00 0.01 0.06 0.00 0.08 0.00 0.00 29.97 30.12 1k2m h ARG 605 CO 0.00 0.28 1.01 -1.12 -1.07 0.00 0.00 179.97 179.07 1k2m s SER 606 N -5.47 6.40 0.67 7.04 0.01 -0.85 -4.54 113.70 116.96 1k2m s SER 606 Ca -0.15 2.84 0.34 0.00 1.31 0.00 0.00 55.95 60.29 1k2m s SER 606 Cb 0.03 -2.60 1.84 0.00 0.21 0.00 0.00 66.02 65.50 1k2m s SER 606 CO 0.65 -0.97 2.04 1.05 0.41 0.00 0.00 173.24 176.43 1k2m h GLU 607 N 6.98 0.00 -0.59 12.44 -0.00 -1.89 0.13 114.58 131.64 1k2m h GLU 607 Ca -0.43 0.00 0.14 0.00 -0.00 0.00 0.00 59.36 59.07 1k2m h GLU 607 Cb 1.20 0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 29.92 1k2m h GLU 607 CO 0.95 0.00 0.41 0.22 -0.00 0.00 0.00 179.01 180.60 1k2m h ASP 608 N 0.00 0.16 -3.01 3.06 1.82 -1.92 -3.40 116.42 113.14 1k2m h ASP 608 Ca 0.00 0.01 -0.54 0.00 -0.39 0.00 0.00 57.03 56.11 1k2m h ASP 608 Cb 0.50 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 40.49 1k2m h ASP 608 CO -0.00 0.09 0.74 0.00 -1.61 0.00 0.00 179.24 178.46 1k2m h ASN 610 N 7.39 0.17 -3.13 0.00 4.21 0.53 -3.36 115.58 121.38 1k2m h ASN 610 Ca -0.39 0.08 -0.67 0.00 1.21 0.00 0.00 56.30 56.53 1k2m h ASN 610 Cb 1.19 0.07 -0.12 0.00 -1.12 0.00 0.00 38.32 38.34 1k2m h ASN 610 CO 0.87 -0.09 -0.58 0.00 -1.29 0.00 0.00 177.43 176.34 1k2m s LYS 612 N -1.09 2.34 -0.18 0.00 -0.14 -1.26 -2.86 119.74 116.54 1k2m s LYS 612 Ca 0.16 -1.52 -0.05 0.00 -1.36 0.00 0.00 55.97 53.20 1k2m s LYS 612 Cb -0.12 -3.53 0.06 0.00 -1.68 0.00 0.00 37.83 32.57 1k2m s LYS 612 CO 0.05 -0.89 0.08 0.42 -0.76 0.00 0.00 175.35 174.25 1k2m s ILE 613 N 1.27 0.03 -0.40 2.17 -1.09 0.12 -4.95 121.20 118.36 1k2m s ILE 613 Ca 0.02 -0.27 -0.09 0.00 -2.23 0.00 0.00 60.65 58.09 1k2m s ILE 613 Cb -0.22 -0.68 0.06 0.00 -1.58 0.00 0.00 42.46 40.05 1k2m s ILE 613 CO -0.01 -0.29 0.23 -1.83 -1.23 0.00 0.00 174.94 171.81 1k2m s GLU 614 N 2.08 2.66 -0.24 2.79 -1.05 -1.26 0.10 118.70 123.78 1k2m s GLU 614 Ca 0.02 -1.34 -0.01 0.00 -0.15 0.00 0.00 54.97 53.49 1k2m s GLU 614 Cb -0.16 -3.74 0.07 0.00 -0.44 0.00 0.00 34.13 29.86 1k2m s GLU 614 CO -0.10 -0.87 0.01 0.34 0.95 0.00 0.00 175.26 175.59 1k2m s ASP 615 N 1.91 3.64 0.51 0.83 2.15 -1.26 -4.99 116.67 119.46 1k2m s ASP 615 Ca 0.02 -1.21 0.46 0.00 0.43 0.00 0.00 52.55 52.25 1k2m s ASP 615 Cb -0.22 -0.95 1.62 0.00 -0.30 0.00 0.00 42.92 43.07 1k2m s ASP 615 CO 0.03 -0.30 1.48 0.59 -0.17 0.00 0.00 175.17 176.80 1k2m n ASN 616 N 4.81 0.03 -0.12 -0.34 3.02 -1.26 0.86 115.26 122.26 1k2m n ASN 616 Ca -0.08 0.99 -0.12 0.00 -0.03 0.00 0.00 54.58 55.33 1k2m n ASN 616 Cb 0.44 -0.49 -0.03 0.00 -0.61 0.00 0.00 39.78 39.09 1k2m n ASN 616 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 1k2m h ARG 617 N 0.00 0.79 -6.73 3.52 9.65 -2.02 -3.44 114.38 116.15 1k2m h ARG 617 Ca 0.89 -0.37 -0.50 0.00 -1.10 0.00 0.00 59.98 58.89 1k2m h ARG 617 Cb 3.47 -0.01 0.01 0.00 -1.39 0.00 0.00 29.97 32.05 1k2m h ARG 617 CO -0.07 1.00 0.00 -0.48 2.80 0.00 0.00 179.97 183.23 1k2m s LEU 618 N -9.06 3.86 0.78 3.80 0.05 0.25 -4.79 118.68 113.58 1k2m s LEU 618 Ca -0.12 0.88 -0.11 0.00 0.05 0.00 0.00 54.13 54.82 1k2m s LEU 618 Cb 0.10 -3.76 0.06 0.00 -2.05 0.00 0.00 46.19 40.54 1k2m s LEU 618 CO 0.84 -0.38 1.09 -0.55 -0.55 0.00 0.00 176.35 176.80 1k2m s SER 619 N -3.52 4.56 0.59 1.48 0.15 -1.26 -4.66 113.70 111.04 1k2m s SER 619 Ca 0.47 1.48 0.29 0.00 0.70 0.00 0.00 55.95 58.89 1k2m s SER 619 Cb -0.10 -2.24 1.49 0.00 -1.71 0.00 0.00 66.02 63.45 1k2m s SER 619 CO 0.35 -1.95 1.91 0.08 1.20 0.00 0.00 173.24 174.83 1k2m h ARG 620 N -1.07 0.00 -2.11 5.44 0.11 -1.94 -1.89 114.38 112.92 1k2m h ARG 620 Ca -0.46 0.00 -0.54 0.00 0.10 0.00 0.00 59.98 59.07 1k2m h ARG 620 Cb 1.25 0.00 -0.41 0.00 1.11 0.00 0.00 29.97 31.92 1k2m h ARG 620 CO 0.57 0.00 -0.93 0.28 0.10 0.00 0.00 179.97 179.99 1k2m n VAL 621 N -3.75 1.04 -0.27 0.08 0.31 -1.26 -0.76 118.33 113.72 1k2m n VAL 621 Ca 0.08 -4.86 0.08 0.00 -0.01 0.00 0.00 64.34 59.63 1k2m n VAL 621 Cb 0.66 -1.19 0.22 0.00 -0.91 0.00 0.00 33.84 32.62 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 3.36 0.48 -2.01 3.52 2.76 -1.19 -3.38 115.15 118.69 1k2m h HIS 622 Ca 0.12 0.04 0.17 0.00 -2.20 0.00 0.00 60.37 58.50 1k2m h HIS 622 Cb 0.77 -0.09 -0.15 0.00 1.55 0.00 0.00 27.41 29.49 1k2m h HIS 622 CO 0.59 -0.01 0.60 0.00 -1.30 0.00 0.00 177.93 177.81 1k2m s PHE 624 N -2.90 0.07 -0.18 0.00 -0.71 0.27 -0.52 117.98 114.00 1k2m s PHE 624 Ca 0.07 -0.16 -0.08 0.00 -1.04 0.00 0.00 56.93 55.72 1k2m s PHE 624 Cb -0.01 -0.07 -0.04 0.00 -1.21 0.00 0.00 43.02 41.69 1k2m s PHE 624 CO -0.06 -0.24 0.09 0.42 -1.34 0.00 0.00 175.22 174.08 1k2m s ILE 625 N -1.23 5.04 -0.06 -4.49 1.09 0.16 0.16 121.20 121.88 1k2m s ILE 625 Ca -0.13 0.06 0.05 0.00 -1.10 0.00 0.00 60.65 59.53 1k2m s ILE 625 Cb -0.07 -3.28 -0.01 0.00 -1.06 0.00 0.00 42.46 38.04 1k2m s ILE 625 CO 0.01 0.46 -0.23 0.12 -0.10 0.00 0.00 174.94 175.20 1k2m s PHE 626 N 0.26 2.28 -0.11 3.97 5.36 0.50 0.52 117.98 130.77 1k2m s PHE 626 Ca 0.06 -0.70 -0.10 0.00 -0.96 0.00 0.00 56.93 55.22 1k2m s PHE 626 Cb -0.12 -1.51 -0.05 0.00 -0.34 0.00 0.00 43.02 41.01 1k2m s PHE 626 CO -0.00 -0.23 0.22 0.21 -1.46 0.00 0.00 175.22 173.96 1k2m s LYS 627 N -0.06 3.77 0.10 10.12 2.20 -1.26 0.19 119.74 134.79 1k2m s LYS 627 Ca -0.05 0.01 0.02 0.00 -0.36 0.00 0.00 55.97 55.59 1k2m s LYS 627 Cb -0.14 -3.26 -0.04 0.00 -1.51 0.00 0.00 37.83 32.88 1k2m s LYS 627 CO 0.04 0.61 -0.07 0.21 -0.36 0.00 0.00 175.35 175.78 1k2m s LYS 628 N -0.62 0.85 -0.37 4.03 2.36 0.20 -4.93 119.74 121.26 1k2m s LYS 628 Ca 0.16 -1.30 -0.29 0.00 -2.55 0.00 0.00 55.97 51.99 1k2m s LYS 628 Cb -0.13 -0.29 0.01 0.00 -1.05 0.00 0.00 37.83 36.37 1k2m s LYS 628 CO 0.05 0.01 1.30 0.50 1.55 0.00 0.00 175.35 178.76 1k2m s ARG 629 N -3.60 3.78 -0.04 4.03 6.06 -1.26 0.16 118.95 128.08 1k2m s ARG 629 Ca 0.11 1.02 -0.30 0.00 -2.50 0.00 0.00 55.73 54.05 1k2m s ARG 629 Cb 0.03 -3.92 -0.04 0.00 0.06 0.00 0.00 34.95 31.08 1k2m s ARG 629 CO -0.03 -1.30 1.24 -1.58 -2.50 0.00 0.00 175.30 171.13 1k2m s HIS 630 N 4.71 3.13 0.37 5.12 5.65 0.49 -4.86 115.29 129.89 1k2m s HIS 630 Ca 0.56 1.13 -0.05 0.00 0.25 0.00 0.00 55.06 56.95 1k2m s HIS 630 Cb -0.14 -3.47 0.02 0.00 -1.18 0.00 0.00 32.58 27.80 1k2m s HIS 630 CO 0.27 -1.56 0.56 0.00 -0.65 0.00 0.00 174.74 173.36 1k2m s ALA 631 N 2.20 0.49 -0.02 1.58 0.00 -1.26 -1.95 121.76 122.80 1k2m s ALA 631 Ca 0.58 -1.39 -0.29 0.00 0.00 0.00 0.00 51.96 50.86 1k2m s ALA 631 Cb -0.26 1.04 0.10 0.00 0.00 0.00 0.00 23.12 24.00 1k2m s ALA 631 CO 0.23 -0.84 0.93 0.54 0.00 0.00 0.00 175.76 176.63 1k2m s VAL 632 N -2.77 0.00 0.00 0.00 0.11 -1.26 -5.09 120.40 111.39 1k2m s VAL 632 Ca 0.27 -0.04 0.00 0.00 -2.93 0.00 0.00 61.98 59.28 1k2m s VAL 632 Cb -0.02 -1.07 0.00 0.00 -1.53 0.00 0.00 36.38 33.76 1k2m s VAL 632 CO 0.19 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.57 1k2m n GLY 633 N -0.24 -1.65 4.01 6.54 0.00 -1.26 -4.92 105.19 107.67 1k2m n GLY 633 Ca -0.08 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.76 1k2m n GLY 633 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1k2m s LYS 634 N 0.00 2.63 -0.35 1.61 2.47 -1.26 -5.03 119.74 119.81 1k2m s LYS 634 Ca 0.00 -1.27 0.07 0.00 -1.56 0.00 0.00 55.97 53.21 1k2m s LYS 634 Cb 0.00 -2.68 0.53 0.00 -1.46 0.00 0.00 37.83 34.22 1k2m s LYS 634 CO 0.00 -0.51 1.57 -1.13 0.16 0.00 0.00 175.35 175.44 1k2m n SER 635 N -2.04 3.19 -4.67 1.43 3.41 -1.26 -4.95 113.62 108.73 1k2m n SER 635 Ca 0.10 -3.76 -0.42 0.00 -0.26 0.00 0.00 58.87 54.52 1k2m n SER 635 Cb 0.60 -0.68 -0.03 0.00 -0.26 0.00 0.00 64.21 63.84 1k2m n SER 635 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 1k2m s MET 636 N -3.33 4.19 0.00 4.33 1.75 -1.26 -3.92 119.30 121.05 1k2m s MET 636 Ca 0.49 2.24 0.00 0.00 -1.25 0.00 0.00 55.69 57.16 1k2m s MET 636 Cb 0.43 -3.90 0.00 0.00 2.84 0.00 0.00 34.83 34.19 1k2m s MET 636 CO 0.02 -0.82 0.00 0.98 -0.65 0.00 0.00 175.02 174.55 1k2m n TYR 637 N 6.77 0.00 -2.57 4.11 4.19 -1.26 -4.85 117.16 123.56 1k2m n TYR 637 Ca 0.17 0.00 -0.38 0.00 3.31 0.00 0.00 57.90 61.00 1k2m n TYR 637 Cb 0.42 0.00 -0.05 0.00 0.49 0.00 0.00 39.34 40.21 1k2m n TYR 637 CO 0.00 0.00 0.00 -2.00 0.91 0.00 0.00 176.86 175.77 1k2m s GLU 638 N 0.00 4.39 -0.42 2.98 -6.30 -1.25 -5.03 118.70 113.07 1k2m s GLU 638 Ca 0.00 1.56 -0.06 0.00 -2.50 0.00 0.00 54.97 53.97 1k2m s GLU 638 Cb 0.00 -2.79 0.10 0.00 0.00 0.00 0.00 34.13 31.44 1k2m s GLU 638 CO 0.00 0.05 0.24 0.45 0.02 0.00 0.00 175.26 176.01 1k2m s SER 639 N -1.37 5.44 0.36 -1.70 0.15 -1.26 -4.57 113.70 110.75 1k2m s SER 639 Ca 0.52 -1.78 0.00 0.00 0.70 0.00 0.00 55.95 55.39 1k2m s SER 639 Cb -0.24 -1.91 0.00 0.00 -1.71 0.00 0.00 66.02 62.16 1k2m s SER 639 CO 0.31 -0.55 0.00 -0.81 1.20 0.00 0.00 173.24 173.39 1k2m n PRO 640 N 4.77 0.87 -2.01 5.44 -0.04 -1.26 -5.02 135.00 137.75 1k2m n PRO 640 Ca -0.07 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.15 1k2m n PRO 640 Cb 0.42 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 33.90 1k2m n PRO 640 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1k2m n ALA 641 N -3.00 5.05 -0.88 0.55 0.00 -1.26 -5.02 120.51 115.95 1k2m n ALA 641 Ca 0.00 -3.79 0.00 0.00 0.00 0.00 0.00 53.44 49.65 1k2m n ALA 641 Cb 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.09 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 -0.71 0.00 -2.71 0.00 3.00 -1.26 -3.55 117.38 112.15 1k2m n GLN 642 Ca 0.44 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 57.39 1k2m n GLN 642 Cb 0.96 0.00 0.04 0.00 0.00 0.00 0.00 30.24 31.24 1k2m n GLN 642 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1k2m n GLY 643 N 0.00 -1.04 0.00 1.08 0.00 -1.26 -4.51 105.19 99.47 1k2m n GLY 643 Ca 0.00 0.77 0.00 0.00 0.00 0.00 0.00 46.02 46.79 1k2m n GLY 643 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1k2m n LEU 644 N 2.34 0.00 -4.32 0.99 4.77 -0.83 -4.81 117.00 115.15 1k2m n LEU 644 Ca 0.11 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.82 1k2m n LEU 644 Cb 0.63 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.58 1k2m n LEU 644 CO -0.06 0.00 -0.55 -1.81 -1.33 0.00 0.00 177.39 173.64 1k2m s ASP 645 N -1.00 2.89 0.17 -1.43 1.01 -1.24 0.19 116.67 117.25 1k2m s ASP 645 Ca 0.00 -0.62 0.05 0.00 0.71 0.00 0.00 52.55 52.69 1k2m s ASP 645 Cb 0.00 -0.22 -0.05 0.00 1.01 0.00 0.00 42.92 43.66 1k2m s ASP 645 CO 0.00 0.18 -0.11 -1.81 0.21 0.00 0.00 175.17 173.64 1k2m s ASP 646 N -1.51 2.00 -0.22 0.27 1.01 0.42 -3.97 116.67 114.67 1k2m s ASP 646 Ca 0.10 -1.03 -0.06 0.00 0.71 0.00 0.00 52.55 52.27 1k2m s ASP 646 Cb -0.10 -0.04 -0.03 0.00 1.01 0.00 0.00 42.92 43.76 1k2m s ASP 646 CO 0.03 -0.30 0.04 0.27 0.21 0.00 0.00 175.17 175.42 1k2m s ILE 647 N -3.24 4.24 -0.18 0.77 -4.36 -1.26 0.61 121.20 117.78 1k2m s ILE 647 Ca 0.19 -0.21 -0.06 0.00 -0.26 0.00 0.00 60.65 60.31 1k2m s ILE 647 Cb 0.02 -2.95 -0.03 0.00 1.25 0.00 0.00 42.46 40.75 1k2m s ILE 647 CO 0.03 0.39 0.02 0.26 0.24 0.00 0.00 174.94 175.88 1k2m s TRP 648 N 1.19 3.13 -0.31 1.37 0.52 0.49 0.28 118.94 125.61 1k2m s TRP 648 Ca 0.04 -0.16 -0.20 0.00 0.02 0.00 0.00 56.10 55.80 1k2m s TRP 648 Cb -0.14 -2.05 -0.01 0.00 -1.15 0.00 0.00 33.47 30.12 1k2m s TRP 648 CO 0.03 -0.01 0.61 -0.47 0.02 0.00 0.00 176.95 177.13 1k2m s TYR 649 N 0.55 3.21 -0.19 -1.98 6.14 0.98 0.19 117.35 126.26 1k2m s TYR 649 Ca 0.00 0.53 -0.07 0.00 0.64 0.00 0.00 57.07 58.17 1k2m s TYR 649 Cb -0.14 -2.97 -0.04 0.00 0.42 0.00 0.00 41.96 39.24 1k2m s TYR 649 CO 0.02 -0.47 0.06 0.00 0.64 0.00 0.00 175.55 175.80 1k2m s HIS 651 N 0.42 2.93 0.00 0.00 2.46 -0.68 0.97 115.29 121.39 1k2m s HIS 651 Ca 0.03 -0.60 0.00 0.00 0.47 0.00 0.00 55.06 54.96 1k2m s HIS 651 Cb -0.12 -1.97 0.00 0.00 -0.13 0.00 0.00 32.58 30.36 1k2m s HIS 651 CO 0.00 -0.25 0.59 0.25 -2.47 0.00 0.00 174.74 172.87 1k2m n THR 652 N 3.92 0.30 -2.66 0.89 -2.24 -0.60 0.63 114.28 114.52 1k2m n THR 652 Ca -0.18 -0.56 -0.38 0.00 -2.27 0.00 0.00 64.05 60.65 1k2m n THR 652 Cb 0.52 0.96 -0.05 0.00 -2.10 0.00 0.00 70.33 69.66 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 -0.30 2.93 0.49 3.38 0.00 0.51 -4.82 107.32 109.51 1k2m s GLY 653 Ca 0.00 0.66 0.28 0.00 0.00 0.00 0.00 44.72 45.66 1k2m s GLY 653 CO 0.00 1.17 1.79 -0.84 0.00 0.00 0.00 173.10 175.22 1k2m h THR 654 N 2.78 0.00 -0.04 0.90 2.02 -1.94 -2.97 112.91 113.66 1k2m h THR 654 Ca -0.47 -0.76 0.00 0.00 0.77 0.00 0.00 66.41 65.95 1k2m h THR 654 Cb 1.20 1.76 0.00 0.00 -1.74 0.00 0.00 68.15 69.38 1k2m h THR 654 CO 0.66 0.00 0.00 0.59 0.37 0.00 0.00 175.52 177.14 1k2m n ASN 655 N -3.09 0.46 -1.66 4.18 3.02 -1.26 -4.85 115.26 112.06 1k2m n ASN 655 Ca 0.02 -1.42 0.00 0.00 -0.03 0.00 0.00 54.58 53.15 1k2m n ASN 655 Cb 0.42 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.57 1k2m n ASN 655 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 1k2m n VAL 656 N -0.52 -3.43 -3.59 2.41 3.14 -1.13 -4.93 118.33 110.29 1k2m n VAL 656 Ca 0.16 1.58 -0.20 0.00 -2.96 0.00 0.00 64.34 62.93 1k2m n VAL 656 Cb 0.15 -2.08 -0.02 0.00 -1.06 0.00 0.00 33.84 30.82 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 -2.13 5.48 -0.13 6.55 1.04 0.17 -4.75 113.70 119.93 1k2m s SER 657 Ca 0.00 -0.44 -0.00 0.00 0.48 0.00 0.00 55.95 55.98 1k2m s SER 657 Cb 0.00 -0.94 0.02 0.00 0.10 0.00 0.00 66.02 65.20 1k2m s SER 657 CO 0.00 -0.47 -0.10 -0.31 0.98 0.00 0.00 173.24 173.34 1k2m s TYR 658 N -2.30 1.79 -0.48 5.02 1.51 0.30 -0.23 117.35 122.95 1k2m s TYR 658 Ca 0.45 -0.96 -0.16 0.00 -1.01 0.00 0.00 57.07 55.39 1k2m s TYR 658 Cb -0.07 -1.39 0.08 0.00 -0.11 0.00 0.00 41.96 40.47 1k2m s TYR 658 CO 0.29 -0.59 0.41 -1.17 -1.11 0.00 0.00 175.55 173.38 1k2m s LEU 659 N 1.61 5.70 0.00 -1.29 2.96 -0.40 0.21 118.68 127.47 1k2m s LEU 659 Ca 0.05 -1.38 0.00 0.00 -0.22 0.00 0.00 54.13 52.57 1k2m s LEU 659 Cb -0.13 -2.19 0.00 0.00 0.50 0.00 0.00 46.19 44.38 1k2m s LEU 659 CO -0.09 -0.67 0.00 0.59 -1.32 0.00 0.00 176.35 174.85 1k2m n ASN 660 N 5.21 0.00 0.00 3.68 4.13 -0.60 -0.22 115.26 127.46 1k2m n ASN 660 Ca -0.13 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.13 1k2m n ASN 660 Cb 0.43 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.67 1k2m n ASN 660 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1k2m n ASN 661 N 1.29 0.06 -4.66 6.41 3.02 -1.26 -5.05 115.26 115.07 1k2m n ASN 661 Ca 0.00 -1.03 -0.34 0.00 -0.03 0.00 0.00 54.58 53.18 1k2m n ASN 661 Cb 0.00 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.07 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 -0.03 5.07 0.31 6.41 -0.87 0.70 -5.10 114.94 121.43 1k2m s ASN 662 Ca 0.00 0.06 -0.28 0.00 -1.57 0.00 0.00 52.86 51.07 1k2m s ASN 662 Cb 0.00 -1.36 -0.09 0.00 -0.02 0.00 0.00 41.25 39.77 1k2m s ASN 662 CO 0.00 0.34 1.08 -0.60 -2.57 0.00 0.00 177.10 175.36 1k2m s ARG 663 N -1.08 4.53 -0.43 -0.60 3.52 -1.26 -1.28 118.95 122.35 1k2m s ARG 663 Ca 0.15 1.73 0.02 0.00 -0.13 0.00 0.00 55.73 57.49 1k2m s ARG 663 Cb -0.11 -3.03 0.13 0.00 -1.56 0.00 0.00 34.95 30.37 1k2m s ARG 663 CO 0.05 0.13 0.22 -1.64 -0.81 0.00 0.00 175.30 173.24 1k2m s MET 664 N -1.69 1.27 0.56 5.12 -1.94 0.67 -4.87 119.30 118.41 1k2m s MET 664 Ca 0.48 -1.93 -0.05 0.00 -1.71 0.00 0.00 55.69 52.48 1k2m s MET 664 Cb -0.29 -2.38 0.00 0.00 2.01 0.00 0.00 34.83 34.17 1k2m s MET 664 CO 0.38 -1.13 0.85 0.96 -0.01 0.00 0.00 175.02 176.07 1k2m s ILE 665 N 0.48 3.85 -0.47 2.53 -4.36 -1.26 0.41 121.20 122.39 1k2m s ILE 665 Ca 0.16 -0.05 -0.29 0.00 -0.26 0.00 0.00 60.65 60.21 1k2m s ILE 665 Cb -0.24 -3.50 -0.09 0.00 1.25 0.00 0.00 42.46 39.88 1k2m s ILE 665 CO -0.03 -0.49 2.37 1.67 0.24 0.00 0.00 174.94 178.71 1k2m n GLN 666 N -2.47 1.11 0.00 0.37 7.27 -1.21 -2.03 117.38 120.42 1k2m n GLN 666 Ca 0.04 0.16 0.00 0.00 0.07 0.00 0.00 57.00 57.27 1k2m n GLN 666 Cb 0.57 -2.98 0.00 0.00 2.41 0.00 0.00 30.24 30.24 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 6.12 1.61 3.40 1.69 0.00 0.21 -4.94 105.19 113.28 1k2m n GLY 667 Ca 0.40 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.22 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 1.78 0.05 2.61 -4.23 -0.86 -2.84 115.64 110.15 1k2m s THR 668 Ca 0.00 -2.19 0.03 0.00 -1.18 0.00 0.00 61.69 58.34 1k2m s THR 668 Cb 0.00 -2.26 -0.02 0.00 1.34 0.00 0.00 72.50 71.56 1k2m s THR 668 CO 0.00 -0.44 -0.09 -0.75 -0.54 0.00 0.00 174.62 172.81 1k2m s LYS 669 N -3.67 0.56 -0.06 3.99 2.20 0.36 -1.69 119.74 121.44 1k2m s LYS 669 Ca 0.26 -0.78 -0.11 0.00 -0.36 0.00 0.00 55.97 54.99 1k2m s LYS 669 Cb 0.01 -0.36 0.02 0.00 -1.51 0.00 0.00 37.83 35.99 1k2m s LYS 669 CO 0.10 0.07 0.26 0.12 -0.36 0.00 0.00 175.35 175.54 1k2m s PHE 670 N -1.36 -0.20 0.18 4.03 5.36 -0.65 0.88 117.98 126.22 1k2m s PHE 670 Ca -0.09 0.43 -0.30 0.00 -0.96 0.00 0.00 56.93 56.01 1k2m s PHE 670 Cb -0.10 0.07 -0.09 0.00 -0.34 0.00 0.00 43.02 42.57 1k2m s PHE 670 CO 0.01 -0.25 1.34 -1.17 -1.46 0.00 0.00 175.22 173.69 1k2m s LEU 671 N -0.59 4.40 -0.37 6.12 1.98 -1.26 -0.01 118.68 128.95 1k2m s LEU 671 Ca -0.07 2.40 -0.09 0.00 -2.89 0.00 0.00 54.13 53.48 1k2m s LEU 671 Cb -0.04 -3.61 0.04 0.00 0.66 0.00 0.00 46.19 43.24 1k2m s LEU 671 CO 0.02 -0.57 0.19 -0.76 -1.89 0.00 0.00 176.35 173.34 1k2m s LEU 672 N 0.12 4.68 -0.16 -0.68 1.43 0.14 -4.87 118.68 119.34 1k2m s LEU 672 Ca 0.58 -1.12 -0.10 0.00 -1.03 0.00 0.00 54.13 52.46 1k2m s LEU 672 Cb -0.37 -1.97 -0.05 0.00 0.03 0.00 0.00 46.19 43.83 1k2m s LEU 672 CO 0.37 -0.39 0.18 -1.10 0.23 0.00 0.00 176.35 175.64 1k2m s GLN 673 N 1.49 4.01 -0.40 1.70 -0.21 -1.26 -4.43 119.66 120.56 1k2m s GLN 673 Ca 0.01 -0.10 -0.40 0.00 0.02 0.00 0.00 55.36 54.90 1k2m s GLN 673 Cb -0.20 -3.36 -0.17 0.00 1.00 0.00 0.00 33.01 30.28 1k2m s GLN 673 CO 0.05 0.42 1.34 -3.47 -2.12 0.00 0.00 175.29 171.51 1k2m n ASP 674 N 3.08 0.97 -0.17 5.90 -0.08 0.65 -1.81 116.55 125.09 1k2m n ASP 674 Ca -0.16 1.01 0.00 0.00 -1.51 0.00 0.00 54.79 54.13 1k2m n ASP 674 Cb 0.53 -0.75 0.00 0.00 2.34 0.00 0.00 41.12 43.24 1k2m n ASP 674 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1k2m n GLY 675 N 3.29 1.04 3.61 0.27 0.00 0.37 -4.85 105.19 108.91 1k2m n GLY 675 Ca 0.26 -0.28 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.40 6.28 -0.36 1.61 -1.08 -0.36 -4.78 116.67 115.58 1k2m s ASP 676 Ca 0.00 0.32 -0.15 0.00 -0.52 0.00 0.00 52.55 52.20 1k2m s ASP 676 Cb 0.00 -2.21 -0.00 0.00 -1.46 0.00 0.00 42.92 39.24 1k2m s ASP 676 CO 0.00 -0.18 0.37 -1.61 0.52 0.00 0.00 175.17 174.27 1k2m s GLU 677 N 2.00 3.43 -0.09 4.34 2.02 -1.26 0.12 118.70 129.25 1k2m s GLU 677 Ca 0.16 -0.54 -0.00 0.00 0.02 0.00 0.00 54.97 54.60 1k2m s GLU 677 Cb -0.16 -3.85 -0.03 0.00 0.10 0.00 0.00 34.13 30.20 1k2m s GLU 677 CO 0.10 -0.60 -0.06 0.96 0.02 0.00 0.00 175.26 175.67 1k2m s ILE 678 N 2.00 3.76 -0.32 -1.63 -4.36 0.14 -1.56 121.20 119.23 1k2m s ILE 678 Ca 0.11 -0.44 -0.12 0.00 -0.26 0.00 0.00 60.65 59.94 1k2m s ILE 678 Cb -0.17 -2.57 -0.02 0.00 1.25 0.00 0.00 42.46 40.95 1k2m s ILE 678 CO 0.12 0.57 0.21 -0.54 0.24 0.00 0.00 174.94 175.54 1k2m s LYS 679 N -0.49 3.54 0.02 0.37 1.02 0.58 -0.22 119.74 124.56 1k2m s LYS 679 Ca 0.07 -0.60 -0.11 0.00 0.02 0.00 0.00 55.97 55.36 1k2m s LYS 679 Cb -0.12 -3.71 -0.32 0.00 -0.52 0.00 0.00 37.83 33.15 1k2m s LYS 679 CO 0.02 -0.39 0.95 0.82 -0.92 0.00 0.00 175.35 175.84 1k2m h ILE 680 N 5.51 1.25 -2.38 2.17 2.04 -1.79 0.85 117.51 125.16 1k2m h ILE 680 Ca -0.32 -2.76 -0.07 0.00 1.00 0.00 0.00 64.86 62.71 1k2m h ILE 680 Cb 1.16 2.94 -0.24 0.00 -0.74 0.00 0.00 36.82 39.94 1k2m h ILE 680 CO 0.61 0.84 -0.12 -0.51 0.00 0.00 0.00 178.15 178.97 1k2m s ILE 681 N -2.61 -0.01 -0.05 -0.67 1.10 -1.25 -4.41 121.20 113.29 1k2m s ILE 681 Ca -0.09 0.03 -0.00 0.00 -0.51 0.00 0.00 60.65 60.08 1k2m s ILE 681 Cb 0.05 -0.78 0.03 0.00 0.15 0.00 0.00 42.46 41.91 1k2m s ILE 681 CO 0.91 0.01 -0.00 0.86 -2.11 0.00 0.00 174.94 174.61 1k2m s TRP 682 N 1.03 0.52 -0.16 3.50 -0.00 -1.21 0.13 118.94 122.74 1k2m s TRP 682 Ca -0.06 -0.08 0.00 0.00 -0.00 0.00 0.00 56.10 55.96 1k2m s TRP 682 Cb -0.06 -0.63 0.03 0.00 -0.00 0.00 0.00 33.47 32.81 1k2m s TRP 682 CO -0.09 -0.23 -0.10 0.34 -0.00 0.00 0.00 176.95 176.86 1k2m s ASP 683 N 1.54 2.85 0.07 5.86 -1.08 0.27 -4.94 116.67 121.23 1k2m s ASP 683 Ca -0.02 -0.61 -0.20 0.00 -0.52 0.00 0.00 52.55 51.20 1k2m s ASP 683 Cb -0.13 -1.10 -0.11 0.00 -1.46 0.00 0.00 42.92 40.13 1k2m s ASP 683 CO -0.03 -0.11 1.48 0.11 0.52 0.00 0.00 175.17 177.14 1k2m h LYS 684 N 8.06 0.37 0.14 4.34 1.57 -1.95 0.59 116.57 129.70 1k2m h LYS 684 Ca -0.31 -0.13 -0.29 0.00 -1.87 0.00 0.00 60.65 58.04 1k2m h LYS 684 Cb 1.12 -0.03 0.03 0.00 0.08 0.00 0.00 32.23 33.43 1k2m h LYS 684 CO 0.47 0.60 -1.23 -0.91 -0.57 0.00 0.00 179.45 177.81 1k2m h ASN 685 N 0.11 0.84 0.96 0.86 4.21 -1.98 -3.27 115.58 117.30 1k2m h ASN 685 Ca 0.05 -0.84 0.00 0.00 1.21 0.00 0.00 56.30 56.72 1k2m h ASN 685 Cb 0.44 -0.27 0.00 0.00 -1.12 0.00 0.00 38.32 37.38 1k2m h ASN 685 CO 0.01 1.60 -0.23 -3.20 -1.29 0.00 0.00 177.43 174.33 1k2m n ASN 686 N -3.82 0.42 -1.49 5.81 4.05 -1.24 -4.91 115.26 114.07 1k2m n ASN 686 Ca -0.14 0.27 -0.19 0.00 0.45 0.00 0.00 54.58 54.96 1k2m n ASN 686 Cb 0.98 -0.27 -0.08 0.00 1.23 0.00 0.00 39.78 41.64 1k2m n ASN 686 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 177.26 175.38 1k2m n LYS 687 N -1.78 -1.50 -2.75 1.20 4.81 0.21 -4.91 118.16 113.45 1k2m n LYS 687 Ca 0.06 1.18 -0.43 0.00 -0.87 0.00 0.00 58.31 58.25 1k2m n LYS 687 Cb 0.38 -5.58 -0.04 0.00 0.02 0.00 0.00 35.03 29.81 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 -2.65 2.70 -0.10 5.64 2.19 -1.05 -4.82 117.98 119.88 1k2m s PHE 688 Ca 0.00 0.06 0.02 0.00 0.33 0.00 0.00 56.93 57.33 1k2m s PHE 688 Cb 0.00 -4.25 0.01 0.00 -1.31 0.00 0.00 43.02 37.48 1k2m s PHE 688 CO 0.00 -1.49 -0.15 0.54 1.83 0.00 0.00 175.22 175.95 1k2m s VAL 689 N 4.35 1.44 0.10 3.12 0.11 -1.25 0.93 120.40 129.21 1k2m s VAL 689 Ca 0.33 -0.61 0.10 0.00 -2.93 0.00 0.00 61.98 58.87 1k2m s VAL 689 Cb -0.11 -1.32 -0.04 0.00 -1.53 0.00 0.00 36.38 33.38 1k2m s VAL 689 CO 0.20 0.43 -0.25 -0.63 -3.33 0.00 0.00 175.10 171.51 1k2m s ILE 690 N 0.95 2.33 -0.29 7.04 1.01 0.34 0.14 121.20 132.72 1k2m s ILE 690 Ca -0.08 -1.61 -0.16 0.00 0.00 0.00 0.00 60.65 58.80 1k2m s ILE 690 Cb -0.15 -2.01 0.14 0.00 0.01 0.00 0.00 42.46 40.45 1k2m s ILE 690 CO -0.01 0.17 0.94 -0.83 0.00 0.00 0.00 174.94 175.21 1k2m s GLY 691 N -1.85 -0.10 -0.02 6.18 0.00 -1.26 -2.86 107.32 107.41 1k2m s GLY 691 Ca 0.14 3.04 0.04 0.00 0.00 0.00 0.00 44.72 47.94 1k2m s GLY 691 CO 0.06 2.63 -0.12 -1.36 0.00 0.00 0.00 173.10 174.30 1k2m s PHE 692 N 1.49 2.75 -0.32 1.90 0.08 0.69 -2.26 117.98 122.31 1k2m s PHE 692 Ca -0.09 -0.12 -0.12 0.00 0.12 0.00 0.00 56.93 56.72 1k2m s PHE 692 Cb -0.04 -1.61 -0.02 0.00 -0.57 0.00 0.00 43.02 40.78 1k2m s PHE 692 CO -0.16 0.26 0.20 0.21 -0.10 0.00 0.00 175.22 175.64 1k2m s LYS 693 N -1.02 3.55 -0.24 0.44 2.47 -1.09 -0.68 119.74 123.17 1k2m s LYS 693 Ca 0.13 -0.60 -0.26 0.00 -1.56 0.00 0.00 55.97 53.68 1k2m s LYS 693 Cb -0.11 -3.70 0.00 0.00 -1.46 0.00 0.00 37.83 32.56 1k2m s LYS 693 CO 0.03 -0.38 0.91 0.08 0.16 0.00 0.00 175.35 176.15 1k2m s VAL 694 N 1.70 4.77 -0.22 4.02 1.01 0.32 -1.36 120.40 130.65 1k2m s VAL 694 Ca 0.06 1.76 -0.01 0.00 0.00 0.00 0.00 61.98 63.78 1k2m s VAL 694 Cb -0.17 -4.19 0.06 0.00 0.00 0.00 0.00 36.38 32.08 1k2m s VAL 694 CO 0.09 -0.12 0.00 -0.70 0.00 0.00 0.00 175.10 174.38 1k2m s GLU 695 N 2.98 1.09 -0.54 2.72 2.56 0.36 0.14 118.70 128.01 1k2m s GLU 695 Ca 0.39 -0.72 -0.28 0.00 0.00 0.00 0.00 54.97 54.35 1k2m s GLU 695 Cb -0.15 -2.33 0.01 0.00 2.00 0.00 0.00 34.13 33.66 1k2m s GLU 695 CO 0.07 -0.65 1.42 0.42 -0.56 0.00 0.00 175.26 175.96 1k2m s ILE 696 N 1.63 3.80 -0.10 -3.70 1.01 -1.26 -0.13 121.20 122.45 1k2m s ILE 696 Ca -0.02 0.70 -0.20 0.00 0.00 0.00 0.00 60.65 61.13 1k2m s ILE 696 Cb -0.18 -4.39 -0.28 0.00 0.01 0.00 0.00 42.46 37.62 1k2m s ILE 696 CO -0.08 -1.10 0.66 0.78 0.00 0.00 0.00 174.94 175.20 1k2m h ASN 697 N 11.08 0.33 -3.63 3.58 -0.26 -1.27 -3.46 115.58 121.95 1k2m h ASN 697 Ca -0.27 -0.87 -0.68 0.00 -0.56 0.00 0.00 56.30 53.92 1k2m h ASN 697 Cb 1.10 -0.11 -0.18 0.00 -1.06 0.00 0.00 38.32 38.07 1k2m h ASN 697 CO 1.16 1.46 -0.69 -1.81 -1.06 0.00 0.00 177.43 176.49 1k2m s ASP 698 N -6.90 4.68 -0.41 5.81 1.01 -1.07 -5.06 116.67 114.73 1k2m s ASP 698 Ca -0.19 -0.06 -0.02 0.00 0.71 0.00 0.00 52.55 52.99 1k2m s ASP 698 Cb 0.02 -1.15 0.11 0.00 1.01 0.00 0.00 42.92 42.91 1k2m s ASP 698 CO 0.76 0.33 0.20 0.42 0.21 0.00 0.00 175.17 177.09 1k2m s THR 699 N -0.89 3.23 -1.36 -1.27 -4.23 -1.26 -4.67 115.64 105.20 1k2m s THR 699 Ca 0.14 -2.09 -0.11 0.00 -1.18 0.00 0.00 61.69 58.46 1k2m s THR 699 Cb -0.11 -3.23 -0.06 0.00 1.34 0.00 0.00 72.50 70.44 1k2m s THR 699 CO 0.04 -0.69 2.55 1.07 -0.54 0.00 0.00 174.62 177.04 1k2m n THR 700 N 4.56 3.51 -3.20 3.99 5.66 -1.26 -4.35 114.28 123.19 1k2m n THR 700 Ca -0.02 -2.30 -0.14 0.00 -3.05 0.00 0.00 64.05 58.54 1k2m n THR 700 Cb 0.41 -2.47 0.07 0.00 -1.55 0.00 0.00 70.33 66.79 1k2m n THR 700 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1k2m n GLY 701 N 3.79 -0.23 3.75 1.09 0.00 -1.26 -4.81 105.19 107.52 1k2m n GLY 701 Ca 0.63 0.01 -0.39 0.00 0.00 0.00 0.00 46.02 46.27 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 -5.66 4.39 0.30 0.99 1.43 -1.26 -3.72 118.68 115.15 1k2m s LEU 702 Ca 0.03 1.17 0.21 0.00 -1.03 0.00 0.00 54.13 54.52 1k2m s LEU 702 Cb -0.01 -2.97 1.02 0.00 0.03 0.00 0.00 46.19 44.26 1k2m s LEU 702 CO 0.61 0.04 1.09 2.22 0.23 0.00 0.00 176.35 180.54 1k2m n PHE 703 N 3.02 0.55 -1.75 0.29 -1.74 -1.25 -3.00 117.46 113.58 1k2m n PHE 703 Ca -0.05 0.55 -0.03 0.00 -0.56 0.00 0.00 57.45 57.36 1k2m n PHE 703 Cb 0.51 -0.96 -0.02 0.00 1.52 0.00 0.00 39.48 40.53 1k2m n PHE 703 CO 0.00 0.00 0.00 0.27 -0.56 0.00 0.00 176.76 176.47 1k2m n ASN 704 N -4.17 -0.41 0.00 5.98 6.94 -1.26 -4.88 115.26 117.46 1k2m n ASN 704 Ca 0.28 -0.84 0.00 0.00 -0.02 0.00 0.00 54.58 54.00 1k2m n ASN 704 Cb 1.06 0.13 0.00 0.00 -2.36 0.00 0.00 39.78 38.61 1k2m n ASN 704 CO 0.00 0.00 0.00 -1.84 -1.03 0.00 0.00 177.26 174.39 1k2m n GLU 705 N -0.03 0.00 0.00 -3.83 0.28 -1.16 -3.67 120.64 112.23 1k2m n GLU 705 Ca -0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.89 1k2m n GLU 705 Cb 0.44 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.31 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 -0.98 0.04 -1.84 0.00 -1.26 -4.33 105.19 96.82 1k2m n GLY 706 Ca 0.00 0.43 0.08 0.00 0.00 0.00 0.00 46.02 46.53 1k2m n GLY 706 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1k2m n LEU 707 N 0.00 0.86 0.00 0.99 7.99 -1.24 0.24 117.00 125.84 1k2m n LEU 707 Ca 0.00 -0.53 0.00 0.00 -0.01 0.00 0.00 56.01 55.47 1k2m n LEU 707 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 1k2m n LEU 707 CO 0.00 0.20 0.00 0.61 -1.51 0.00 0.00 177.39 176.69 1k2m n GLY 708 N 1.36 0.87 3.50 -0.72 0.00 -1.26 -5.00 105.19 103.93 1k2m n GLY 708 Ca 0.03 -0.81 -0.52 0.00 0.00 0.00 0.00 46.02 44.73 1k2m n GLY 708 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1k2m n MET 709 N 0.00 0.43 0.00 1.61 0.00 -1.26 -4.95 117.12 112.95 1k2m n MET 709 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 57.70 57.85 1k2m n MET 709 Cb 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 33.22 31.74 1k2m n MET 709 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1k2m n LEU 710 N 1.82 0.00 0.00 3.17 7.99 -1.26 -4.18 117.00 124.54 1k2m n LEU 710 Ca 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.17 1k2m n LEU 710 Cb 0.20 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.51 1k2m n LEU 710 CO 0.59 -0.67 0.00 0.00 -1.51 0.00 0.00 177.39 175.81 1k2m n GLN 711 N -0.32 0.00 -3.70 3.23 6.02 -1.26 -4.77 117.38 116.58 1k2m n GLN 711 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.61 1k2m n GLN 711 Cb 0.00 0.00 -0.12 0.00 1.02 0.00 0.00 30.24 31.14 1k2m n GLN 711 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1k2m s GLU 712 N 0.00 2.98 -0.72 -1.09 0.41 -1.26 -5.05 118.70 113.97 1k2m s GLU 712 Ca 0.00 -0.95 -0.25 0.00 -0.41 0.00 0.00 54.97 53.36 1k2m s GLU 712 Cb 0.00 -3.51 0.04 0.00 -1.78 0.00 0.00 34.13 28.88 1k2m s GLU 712 CO 0.00 -0.54 1.17 -1.14 -0.49 0.00 0.00 175.26 174.26 1k2m s GLN 713 N 1.51 3.17 0.00 1.61 -0.44 -1.26 -4.68 119.66 119.57 1k2m s GLN 713 Ca 0.02 -0.47 0.00 0.00 -2.50 0.00 0.00 55.36 52.41 1k2m s GLN 713 Cb -0.18 -4.22 0.00 0.00 -1.64 0.00 0.00 33.01 26.96 1k2m s GLN 713 CO 0.04 -2.03 0.00 0.54 0.50 0.00 0.00 175.29 174.34 1k2m n ARG 714 N 8.78 0.00 -4.81 1.67 5.12 -1.26 -4.93 116.66 121.23 1k2m n ARG 714 Ca 0.01 0.00 -0.26 0.00 -1.93 0.00 0.00 57.85 55.67 1k2m n ARG 714 Cb 0.48 0.00 -0.15 0.00 -1.16 0.00 0.00 32.46 31.63 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 0.00 1.64 -0.17 1.55 -7.23 -1.26 -4.97 120.40 109.96 1k2m s VAL 715 Ca 0.00 -1.04 -0.29 0.00 -1.81 0.00 0.00 61.98 58.84 1k2m s VAL 715 Cb 0.00 -1.40 -0.00 0.00 0.56 0.00 0.00 36.38 35.54 1k2m s VAL 715 CO 0.00 0.32 0.99 -0.69 -0.31 0.00 0.00 175.10 175.41 1k2m s VAL 716 N -0.65 4.76 0.38 1.32 1.01 -1.26 -4.65 120.40 121.31 1k2m s VAL 716 Ca 0.08 1.96 0.02 0.00 0.00 0.00 0.00 61.98 64.04 1k2m s VAL 716 Cb -0.08 -4.28 -0.01 0.00 0.00 0.00 0.00 36.38 32.00 1k2m s VAL 716 CO 0.01 -0.07 0.57 -0.76 0.00 0.00 0.00 175.10 174.85 1k2m s LEU 717 N 2.54 3.86 0.01 3.92 1.02 0.25 -4.89 118.68 125.39 1k2m s LEU 717 Ca 0.45 0.21 -0.00 0.00 0.02 0.00 0.00 54.13 54.80 1k2m s LEU 717 Cb -0.17 -3.09 -0.04 0.00 0.02 0.00 0.00 46.19 42.92 1k2m s LEU 717 CO 0.12 -0.50 0.11 -0.54 0.02 0.00 0.00 176.35 175.56 1k2m s LYS 718 N -4.37 3.13 0.29 1.70 1.02 -1.26 0.14 119.74 120.38 1k2m s LYS 718 Ca 0.44 -0.48 0.03 0.00 0.02 0.00 0.00 55.97 55.98 1k2m s LYS 718 Cb -0.10 -2.89 -0.03 0.00 -0.52 0.00 0.00 37.83 34.29 1k2m s LYS 718 CO 0.35 0.64 0.45 -0.65 -0.92 0.00 0.00 175.35 175.22 1k2m s GLN 719 N -1.91 3.46 0.18 1.68 -0.21 -1.13 -4.76 119.66 116.97 1k2m s GLN 719 Ca 0.25 -0.55 0.00 0.00 0.02 0.00 0.00 55.36 55.08 1k2m s GLN 719 Cb -0.12 -2.78 -0.00 0.00 1.00 0.00 0.00 33.01 31.11 1k2m s GLN 719 CO 0.17 0.29 0.00 0.25 -2.12 0.00 0.00 175.29 173.88 1k2m n THR 720 N -1.60 0.00 -0.04 -0.19 -2.24 -1.26 -4.96 114.28 103.99 1k2m n THR 720 Ca -0.07 -0.87 0.23 0.00 -2.27 0.00 0.00 64.05 61.08 1k2m n THR 720 Cb 0.57 0.18 0.71 0.00 -2.10 0.00 0.00 70.33 69.69 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 1.11 2.55 -0.73 6.98 0.00 -2.00 0.14 119.26 127.31 1k2m h ALA 721 Ca -0.15 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1k2m h ALA 721 Cb 0.46 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1k2m h ALA 721 CO 0.25 -0.81 0.41 0.93 0.00 0.00 0.00 179.25 180.02 1k2m h GLU 722 N 0.00 1.01 0.05 0.00 3.07 -1.99 0.07 114.58 116.80 1k2m h GLU 722 Ca 0.30 -0.11 -0.00 0.00 -0.50 0.00 0.00 59.36 59.04 1k2m h GLU 722 Cb 1.27 -0.20 0.00 0.00 -0.84 0.00 0.00 28.75 28.98 1k2m h GLU 722 CO -0.00 0.75 -0.03 1.49 -1.40 0.00 0.00 179.01 179.82 1k2m h GLU 723 N 1.01 -0.07 -0.69 2.33 4.22 -1.11 -2.84 114.58 117.42 1k2m h GLU 723 Ca 0.26 0.00 0.15 0.00 0.08 0.00 0.00 59.36 59.86 1k2m h GLU 723 Cb 0.03 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 1k2m h GLU 723 CO -0.04 0.40 0.47 -0.22 -2.18 0.00 0.00 179.01 177.44 1k2m h LYS 724 N -0.57 0.27 -0.34 1.92 3.64 -1.27 0.13 116.57 120.35 1k2m h LYS 724 Ca -0.01 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.25 1k2m h LYS 724 Cb 0.50 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 1k2m h LYS 724 CO 0.01 0.18 -0.23 -0.44 -2.27 0.00 0.00 179.45 176.71 1k2m h ASP 725 N 0.28 0.68 -0.69 4.20 5.19 -0.88 -2.50 116.42 122.71 1k2m h ASP 725 Ca 0.34 -0.24 0.07 0.00 -0.62 0.00 0.00 57.03 56.59 1k2m h ASP 725 Cb 0.92 -0.19 -0.06 0.00 0.18 0.00 0.00 39.33 40.18 1k2m h ASP 725 CO -0.08 0.89 0.36 -0.07 -3.12 0.00 0.00 179.24 177.22 1k2m h LEU 726 N 0.59 0.51 -0.81 1.55 3.38 -0.48 -0.06 115.31 119.98 1k2m h LEU 726 Ca 0.08 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 1k2m h LEU 726 Cb 0.70 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 1k2m h LEU 726 CO 0.05 0.31 -0.22 0.58 0.09 0.00 0.00 178.44 179.26 1k2m h VAL 727 N 0.64 0.47 -0.59 1.22 2.07 -1.44 -3.09 116.25 115.54 1k2m h VAL 727 Ca 0.32 -1.23 -0.02 0.00 0.82 0.00 0.00 66.70 66.59 1k2m h VAL 727 Cb 0.27 1.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.89 1k2m h VAL 727 CO -0.22 0.22 0.30 0.50 0.02 0.00 0.00 177.57 178.38 1k2m h LYS 728 N 0.00 0.83 0.00 1.57 3.64 -0.55 -1.18 116.57 120.88 1k2m h LYS 728 Ca -0.00 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1k2m h LYS 728 Cb 0.87 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1k2m h LYS 728 CO 0.03 0.63 -0.10 1.63 -2.27 0.00 0.00 179.45 179.37 1k2m n LYS 729 N -4.37 0.11 0.00 1.90 5.02 -1.08 -5.11 118.16 114.63 1k2m n LYS 729 Ca 0.05 0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 1k2m n LYS 729 Cb 0.12 -1.61 0.00 0.00 -0.02 0.00 0.00 35.03 33.51 1k2m n LYS 729 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77