#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k2n n ASN 574 N 0.00 2.01 0.00 1.61 4.05 -1.26 -4.90 115.26 116.77 1k2n n ASN 574 Ca 0.00 -1.70 0.00 0.00 0.45 0.00 0.00 54.58 53.33 1k2n n ASN 574 Cb 0.00 -0.05 0.00 0.00 1.23 0.00 0.00 39.78 40.96 1k2n n ASN 574 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1k2n n GLY 575 N 1.23 0.95 3.67 8.20 0.00 -1.26 -5.08 105.19 112.89 1k2n n GLY 575 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 1k2n n GLY 575 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1k2n s ARG 576 N 0.00 4.28 -0.15 1.61 3.00 -1.26 0.26 118.95 126.69 1k2n s ARG 576 Ca 0.00 1.47 -0.09 0.00 -1.00 0.00 0.00 55.73 56.11 1k2n s ARG 576 Cb 0.00 -3.65 -0.06 0.00 0.00 0.00 0.00 34.95 31.23 1k2n s ARG 576 CO 0.00 -0.59 -0.22 1.97 0.00 0.00 0.00 175.30 176.46 1k2n n PHE 577 N 6.14 0.00 -5.06 5.12 1.16 -0.74 -3.48 117.46 120.59 1k2n n PHE 577 Ca 0.12 0.00 -0.31 0.00 -1.87 0.00 0.00 57.45 55.39 1k2n n PHE 577 Cb 0.46 -0.53 -0.15 0.00 -1.61 0.00 0.00 39.48 37.65 1k2n n PHE 577 CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 1k2n s LEU 578 N -7.08 2.16 -0.23 5.98 0.20 -0.23 -0.42 118.68 119.06 1k2n s LEU 578 Ca -0.22 -0.52 0.02 0.00 0.69 0.00 0.00 54.13 54.10 1k2n s LEU 578 Cb 0.07 -1.33 0.04 0.00 -0.43 0.00 0.00 46.19 44.55 1k2n s LEU 578 CO 0.29 0.29 -0.15 -0.89 -0.29 0.00 0.00 176.35 175.60 1k2n s THR 579 N -0.73 2.15 -0.41 3.68 2.01 0.32 0.15 115.64 122.80 1k2n s THR 579 Ca 0.11 -1.32 -0.13 0.00 0.31 0.00 0.00 61.69 60.66 1k2n s THR 579 Cb -0.10 -2.11 0.04 0.00 0.01 0.00 0.00 72.50 70.34 1k2n s THR 579 CO 0.01 0.22 0.29 -0.76 -0.69 0.00 0.00 174.62 173.68 1k2n s LEU 580 N 1.19 5.10 -0.36 4.42 1.43 0.45 0.18 118.68 131.08 1k2n s LEU 580 Ca -0.03 -1.09 0.02 0.00 -1.03 0.00 0.00 54.13 52.00 1k2n s LEU 580 Cb -0.17 -2.10 0.10 0.00 0.03 0.00 0.00 46.19 44.05 1k2n s LEU 580 CO -0.08 -0.48 0.10 -1.59 0.23 0.00 0.00 176.35 174.53 1k2n s LYS 581 N 1.60 1.64 -0.73 1.70 -2.85 -0.39 0.30 119.74 121.01 1k2n s LYS 581 Ca 0.04 -1.88 -0.32 0.00 -1.00 0.00 0.00 55.97 52.80 1k2n s LYS 581 Cb -0.21 -3.32 -0.17 0.00 -2.06 0.00 0.00 37.83 32.08 1k2n s LYS 581 CO 0.07 -0.98 2.50 -2.30 0.10 0.00 0.00 175.35 174.74 1k2n n PRO 582 N 4.32 0.39 -1.81 1.78 -0.02 0.53 -2.28 135.00 137.91 1k2n n PRO 582 Ca 0.02 0.04 -0.32 0.00 -2.02 0.00 0.00 63.50 61.23 1k2n n PRO 582 Cb 0.42 -2.07 0.03 0.00 -0.02 0.00 0.00 33.50 31.85 1k2n n PRO 582 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 1k2n s LEU 583 N 9.12 3.30 0.61 2.45 -0.00 -1.05 -2.23 118.68 130.89 1k2n s LEU 583 Ca 1.22 1.69 0.28 0.00 -0.00 0.00 0.00 54.13 57.32 1k2n s LEU 583 Cb -0.99 -4.51 1.33 0.00 -0.00 0.00 0.00 46.19 42.02 1k2n s LEU 583 CO 0.46 -1.28 1.74 -0.65 -0.00 0.00 0.00 176.35 176.62 1k2n h PRO 584 N -0.17 0.00 0.00 1.48 0.11 -1.89 0.42 132.00 131.94 1k2n h PRO 584 Ca -0.45 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 1k2n h PRO 584 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1k2n h PRO 584 CO 0.57 0.00 -0.02 -0.44 -0.21 0.00 0.00 178.00 177.90 1k2n h ASP 585 N 0.00 0.00 -3.04 -2.05 3.32 -1.91 -3.41 116.42 109.33 1k2n h ASP 585 Ca 0.24 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.73 1k2n h ASP 585 Cb 1.52 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 41.05 1k2n h ASP 585 CO -0.00 0.02 -0.32 -0.55 -1.72 0.00 0.00 179.24 176.68 1k2n s SER 586 N -5.97 6.44 0.35 6.45 0.15 0.15 -4.86 113.70 116.41 1k2n s SER 586 Ca -0.04 0.51 0.19 0.00 0.70 0.00 0.00 55.95 57.31 1k2n s SER 586 Cb 0.14 -2.06 1.04 0.00 -1.71 0.00 0.00 66.02 63.43 1k2n s SER 586 CO 0.53 0.00 1.54 0.16 1.20 0.00 0.00 173.24 176.67 1k2n h ILE 587 N 1.81 0.00 -3.34 6.45 -2.65 -1.74 -3.39 117.51 114.65 1k2n h ILE 587 Ca -0.47 0.00 -0.65 0.00 1.03 0.00 0.00 64.86 64.77 1k2n h ILE 587 Cb 1.18 0.42 -0.27 0.00 -2.05 0.00 0.00 36.82 36.10 1k2n h ILE 587 CO 0.71 0.00 -0.73 -0.51 0.03 0.00 0.00 178.15 177.64 1k2n s ILE 588 N -3.49 3.28 -0.92 0.16 2.07 -1.26 -5.04 121.20 116.00 1k2n s ILE 588 Ca -0.02 -0.55 -0.01 0.00 -1.41 0.00 0.00 60.65 58.66 1k2n s ILE 588 Cb 0.06 -2.44 0.28 0.00 0.13 0.00 0.00 42.46 40.48 1k2n s ILE 588 CO 0.17 0.47 1.17 0.00 -1.91 0.00 0.00 174.94 174.84 1k2n n GLN 589 N 4.17 3.64 -4.50 3.50 3.00 -1.26 -4.13 117.38 121.79 1k2n n GLN 589 Ca -0.18 -4.59 -0.24 0.00 -0.01 0.00 0.00 57.00 51.98 1k2n n GLN 589 Cb 0.52 -2.42 -0.11 0.00 0.00 0.00 0.00 30.24 28.23 1k2n n GLN 589 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 1k2n s GLU 590 N -2.53 1.75 -0.07 -1.09 2.02 -0.95 -5.01 118.70 112.82 1k2n s GLU 590 Ca 0.34 -1.97 0.02 0.00 0.02 0.00 0.00 54.97 53.37 1k2n s GLU 590 Cb 0.07 -1.11 0.02 0.00 0.10 0.00 0.00 34.13 33.20 1k2n s GLU 590 CO 0.04 -0.14 -0.11 -1.54 0.02 0.00 0.00 175.26 173.53 1k2n s SER 591 N -3.56 1.79 -0.06 -0.19 1.04 -1.26 -0.34 113.70 111.12 1k2n s SER 591 Ca 0.36 -0.29 0.02 0.00 0.48 0.00 0.00 55.95 56.53 1k2n s SER 591 Cb 0.09 -0.80 -0.03 0.00 0.10 0.00 0.00 66.02 65.38 1k2n s SER 591 CO 0.16 -0.00 -0.11 -0.76 0.98 0.00 0.00 173.24 173.51 1k2n s LEU 592 N 0.87 2.93 -0.21 2.42 1.43 0.86 -4.93 118.68 122.05 1k2n s LEU 592 Ca -0.11 -0.12 0.01 0.00 -1.03 0.00 0.00 54.13 52.88 1k2n s LEU 592 Cb -0.15 -1.62 0.05 0.00 0.03 0.00 0.00 46.19 44.50 1k2n s LEU 592 CO 0.01 0.35 -0.10 -1.61 0.23 0.00 0.00 176.35 175.24 1k2n s GLU 593 N -0.78 2.01 -0.46 1.70 2.02 -1.26 0.17 118.70 122.10 1k2n s GLU 593 Ca 0.12 -0.90 -0.25 0.00 0.02 0.00 0.00 54.97 53.97 1k2n s GLU 593 Cb -0.11 -2.48 0.03 0.00 0.10 0.00 0.00 34.13 31.67 1k2n s GLU 593 CO 0.01 -0.45 0.88 0.42 0.02 0.00 0.00 175.26 176.13 1k2n s ILE 594 N 1.37 4.53 0.01 -1.63 1.01 0.41 -4.97 121.20 121.93 1k2n s ILE 594 Ca -0.02 0.61 -0.30 0.00 0.00 0.00 0.00 60.65 60.93 1k2n s ILE 594 Cb -0.17 -4.40 -0.04 0.00 0.01 0.00 0.00 42.46 37.86 1k2n s ILE 594 CO -0.08 -0.81 1.12 -1.58 0.00 0.00 0.00 174.94 173.59 1k2n s GLN 595 N 3.61 4.46 0.54 2.79 0.74 -1.26 -1.07 119.66 129.47 1k2n s GLN 595 Ca 0.34 1.62 0.38 0.00 0.05 0.00 0.00 55.36 57.75 1k2n s GLN 595 Cb -0.11 -3.43 1.57 0.00 1.10 0.00 0.00 33.01 32.13 1k2n s GLN 595 CO 0.25 -0.23 1.77 -0.56 -0.55 0.00 0.00 175.29 175.97 1k2n h GLN 596 N 6.94 0.01 0.00 1.67 3.07 -0.48 0.67 115.11 126.99 1k2n h GLN 596 Ca -0.39 -0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.30 1k2n h GLN 596 Cb 1.20 -0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.75 1k2n h GLN 596 CO 0.81 0.01 -0.23 0.78 0.09 0.00 0.00 178.83 180.29 1k2n h GLY 597 N 0.01 0.00 -7.75 0.06 0.00 -1.91 -3.41 103.07 90.07 1k2n h GLY 597 Ca 0.62 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 47.29 1k2n h GLY 597 CO -0.02 0.00 -0.52 0.14 0.00 0.00 0.00 176.54 176.14 1k2n s VAL 598 N -3.96 5.16 -0.04 4.60 1.01 0.23 -5.05 120.40 122.35 1k2n s VAL 598 Ca -0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 61.98 61.89 1k2n s VAL 598 Cb 0.12 -3.54 0.03 0.00 0.00 0.00 0.00 36.38 32.99 1k2n s VAL 598 CO 0.64 0.14 0.06 0.21 0.00 0.00 0.00 175.10 176.15 1k2n s ASN 599 N 1.72 0.89 0.41 3.32 2.47 -1.26 -4.01 114.94 118.48 1k2n s ASN 599 Ca 0.06 0.09 -0.03 0.00 0.42 0.00 0.00 52.86 53.41 1k2n s ASN 599 Cb -0.17 -0.10 -0.04 0.00 -1.45 0.00 0.00 41.25 39.50 1k2n s ASN 599 CO 0.10 -0.22 0.66 -2.16 -3.72 0.00 0.00 177.10 171.76 1k2n s PRO 600 N 1.95 3.53 -0.33 0.43 0.04 -1.26 -5.04 135.00 134.30 1k2n s PRO 600 Ca 0.02 -0.05 -0.19 0.00 0.04 0.00 0.00 61.00 60.82 1k2n s PRO 600 Cb -0.12 -2.52 -0.01 0.00 0.04 0.00 0.00 34.50 31.89 1k2n s PRO 600 CO -0.03 -0.02 0.56 0.12 0.04 0.00 0.00 177.00 177.68 1k2n s PHE 601 N -2.50 3.19 -0.01 0.56 2.19 0.16 -4.90 117.98 116.66 1k2n s PHE 601 Ca 0.44 0.34 -0.16 0.00 0.33 0.00 0.00 56.93 57.88 1k2n s PHE 601 Cb -0.10 -2.97 -0.06 0.00 -1.31 0.00 0.00 43.02 38.59 1k2n s PHE 601 CO 0.40 -0.52 0.44 -0.06 1.83 0.00 0.00 175.22 177.30 1k2n s PHE 602 N 2.50 3.70 0.04 10.12 0.08 -1.26 0.48 117.98 133.64 1k2n s PHE 602 Ca 0.21 1.01 0.06 0.00 0.12 0.00 0.00 56.93 58.34 1k2n s PHE 602 Cb -0.15 -2.36 -0.02 0.00 -0.57 0.00 0.00 43.02 39.91 1k2n s PHE 602 CO 0.13 0.55 -0.18 0.42 -0.10 0.00 0.00 175.22 176.03 1k2n s ILE 603 N -0.76 1.48 -3.50 0.64 1.09 0.32 0.13 121.20 120.59 1k2n s ILE 603 Ca 0.25 -1.13 0.00 0.00 -1.10 0.00 0.00 60.65 58.67 1k2n s ILE 603 Cb -0.17 -1.30 0.00 0.00 -1.06 0.00 0.00 42.46 39.93 1k2n s ILE 603 CO 0.13 0.14 0.00 0.61 -0.10 0.00 0.00 174.94 175.72 1k2n n GLY 604 N 1.87 -1.21 0.18 6.18 0.00 -1.15 -1.74 105.19 109.32 1k2n n GLY 604 Ca -0.17 -1.08 0.12 0.00 0.00 0.00 0.00 46.02 44.89 1k2n n GLY 604 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1k2n h ARG 605 N 0.00 0.00 -6.16 1.61 2.43 -0.99 0.19 114.38 111.45 1k2n h ARG 605 Ca 0.00 0.00 -0.55 0.00 -0.81 0.00 0.00 59.98 58.62 1k2n h ARG 605 Cb 0.00 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.50 1k2n h ARG 605 CO 0.00 0.00 0.11 -1.12 -1.51 0.00 0.00 179.97 177.45 1k2n s SER 606 N -5.77 7.09 0.65 -3.80 0.01 -1.11 -4.75 113.70 106.01 1k2n s SER 606 Ca 0.06 1.30 0.37 0.00 1.31 0.00 0.00 55.95 58.99 1k2n s SER 606 Cb 0.07 -2.43 2.07 0.00 0.21 0.00 0.00 66.02 65.94 1k2n s SER 606 CO 0.69 -0.03 2.22 -0.08 0.41 0.00 0.00 173.24 176.45 1k2n h GLU 607 N 6.13 0.00 -0.21 12.44 4.81 -1.89 -0.86 114.58 135.01 1k2n h GLU 607 Ca -0.43 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 58.86 1k2n h GLU 607 Cb 1.20 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 1k2n h GLU 607 CO 0.73 0.00 0.16 -0.44 -0.73 0.00 0.00 179.01 178.72 1k2n h ASP 608 N 0.00 0.00 -3.23 1.04 5.19 -1.91 -3.41 116.42 114.09 1k2n h ASP 608 Ca 0.01 0.00 -0.53 0.00 -0.62 0.00 0.00 57.03 55.89 1k2n h ASP 608 Cb 0.23 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.74 1k2n h ASP 608 CO -0.00 0.00 0.53 0.00 -3.12 0.00 0.00 179.24 176.65 1k2n h ASN 610 N 6.74 0.10 -3.38 0.00 4.21 -0.77 -3.37 115.58 119.10 1k2n h ASN 610 Ca -0.42 0.03 -0.67 0.00 1.21 0.00 0.00 56.30 56.46 1k2n h ASN 610 Cb 1.21 0.02 -0.15 0.00 -1.12 0.00 0.00 38.32 38.29 1k2n h ASN 610 CO 0.80 -0.02 -0.64 0.00 -1.29 0.00 0.00 177.43 176.28 1k2n s LYS 612 N -1.27 2.71 -0.18 0.00 1.02 -1.26 -2.91 119.74 117.85 1k2n s LYS 612 Ca 0.17 -1.02 -0.04 0.00 0.02 0.00 0.00 55.97 55.09 1k2n s LYS 612 Cb -0.11 -2.69 0.06 0.00 -0.52 0.00 0.00 37.83 34.57 1k2n s LYS 612 CO 0.07 -0.34 0.07 0.42 -0.92 0.00 0.00 175.35 174.65 1k2n s ILE 613 N 1.22 0.14 -0.55 2.17 -1.09 0.66 -4.95 121.20 118.79 1k2n s ILE 613 Ca -0.00 -0.33 -0.20 0.00 -2.23 0.00 0.00 60.65 57.88 1k2n s ILE 613 Cb -0.16 -0.76 0.07 0.00 -1.58 0.00 0.00 42.46 40.03 1k2n s ILE 613 CO -0.10 -0.27 0.73 -0.70 -1.23 0.00 0.00 174.94 173.37 1k2n s GLU 614 N 2.03 3.13 -0.13 2.79 2.12 -1.26 -2.52 118.70 124.86 1k2n s GLU 614 Ca 0.01 -0.90 -0.01 0.00 0.36 0.00 0.00 54.97 54.43 1k2n s GLU 614 Cb -0.16 -4.15 0.04 0.00 0.26 0.00 0.00 34.13 30.11 1k2n s GLU 614 CO -0.10 -1.41 -0.03 0.34 -0.54 0.00 0.00 175.26 173.52 1k2n s ASP 615 N 3.07 2.28 0.52 -1.70 -1.08 -1.26 -5.01 116.67 113.49 1k2n s ASP 615 Ca 0.17 -0.41 0.37 0.00 -0.52 0.00 0.00 52.55 52.16 1k2n s ASP 615 Cb -0.19 -0.69 1.53 0.00 -1.46 0.00 0.00 42.92 42.12 1k2n s ASP 615 CO 0.11 -0.19 1.74 -0.55 0.52 0.00 0.00 175.17 176.80 1k2n h ASN 616 N 8.22 0.07 0.45 -0.34 -1.07 -2.02 0.85 115.58 121.73 1k2n h ASN 616 Ca -0.23 0.02 -0.25 0.00 0.07 0.00 0.00 56.30 55.91 1k2n h ASN 616 Cb 1.12 0.01 0.01 0.00 -2.07 0.00 0.00 38.32 37.39 1k2n h ASN 616 CO 0.35 -0.01 -1.09 0.03 0.07 0.00 0.00 177.43 176.78 1k2n h ARG 617 N 0.05 0.36 -7.29 4.14 -0.00 -2.00 -3.46 114.38 106.18 1k2n h ARG 617 Ca 0.66 -0.48 -0.52 0.00 -0.50 0.00 0.00 59.98 59.15 1k2n h ARG 617 Cb 2.51 0.16 0.15 0.00 0.00 0.00 0.00 29.97 32.80 1k2n h ARG 617 CO -0.07 1.17 0.29 -0.51 0.00 0.00 0.00 179.97 180.85 1k2n s LEU 618 N -7.50 2.99 0.37 3.04 1.02 0.29 -4.65 118.68 114.24 1k2n s LEU 618 Ca -0.05 1.97 0.08 0.00 0.02 0.00 0.00 54.13 56.14 1k2n s LEU 618 Cb 0.08 -4.54 -0.03 0.00 0.02 0.00 0.00 46.19 41.72 1k2n s LEU 618 CO 0.88 -2.40 0.27 -0.44 0.02 0.00 0.00 176.35 174.68 1k2n s SER 619 N -3.09 4.97 0.22 2.29 0.01 -1.26 -4.79 113.70 112.06 1k2n s SER 619 Ca 0.64 -0.71 -0.11 0.00 1.31 0.00 0.00 55.95 57.08 1k2n s SER 619 Cb -0.19 -0.73 0.32 0.00 0.21 0.00 0.00 66.02 65.62 1k2n s SER 619 CO 0.56 -0.45 1.63 0.03 0.41 0.00 0.00 173.24 175.42 1k2n h ARG 620 N 1.28 0.05 -2.28 12.44 -0.00 -1.93 -1.47 114.38 122.47 1k2n h ARG 620 Ca -0.43 -0.00 -0.59 0.00 -0.50 0.00 0.00 59.98 58.45 1k2n h ARG 620 Cb 1.26 -0.01 -0.42 0.00 0.00 0.00 0.00 29.97 30.80 1k2n h ARG 620 CO 0.61 0.03 -0.61 0.28 0.00 0.00 0.00 179.97 180.28 1k2n n VAL 621 N -5.39 3.04 -0.25 2.04 0.31 -1.26 -2.76 118.33 114.06 1k2n n VAL 621 Ca 0.10 -5.55 0.06 0.00 -0.01 0.00 0.00 64.34 58.94 1k2n n VAL 621 Cb 0.39 -1.49 0.19 0.00 -0.91 0.00 0.00 33.84 32.01 1k2n n VAL 621 CO 0.00 0.00 0.00 -0.74 -1.32 0.00 0.00 176.83 174.77 1k2n h HIS 622 N 3.15 0.30 -1.98 3.52 2.76 -0.86 -3.36 115.15 118.68 1k2n h HIS 622 Ca 0.14 0.04 0.09 0.00 -2.20 0.00 0.00 60.37 58.45 1k2n h HIS 622 Cb 0.52 -0.01 -0.18 0.00 1.55 0.00 0.00 27.41 29.28 1k2n h HIS 622 CO 0.83 -0.08 0.51 0.00 -1.30 0.00 0.00 177.93 177.88 1k2n s PHE 624 N -2.26 -0.02 -0.18 0.00 -0.12 0.46 0.12 117.98 115.98 1k2n s PHE 624 Ca 0.02 0.06 -0.08 0.00 -0.05 0.00 0.00 56.93 56.88 1k2n s PHE 624 Cb -0.01 -0.02 -0.05 0.00 -0.63 0.00 0.00 43.02 42.32 1k2n s PHE 624 CO -0.04 -0.15 0.11 0.42 -0.05 0.00 0.00 175.22 175.51 1k2n s ILE 625 N -0.58 5.19 -0.05 -4.49 1.09 0.18 0.20 121.20 122.74 1k2n s ILE 625 Ca -0.07 0.11 0.04 0.00 -1.10 0.00 0.00 60.65 59.63 1k2n s ILE 625 Cb -0.04 -3.34 0.00 0.00 -1.06 0.00 0.00 42.46 38.02 1k2n s ILE 625 CO 0.00 0.48 -0.16 0.12 -0.10 0.00 0.00 174.94 175.29 1k2n s PHE 626 N 0.10 1.68 -0.15 3.97 5.36 0.45 0.38 117.98 129.77 1k2n s PHE 626 Ca 0.08 -0.54 -0.11 0.00 -0.96 0.00 0.00 56.93 55.40 1k2n s PHE 626 Cb -0.12 -1.16 -0.05 0.00 -0.34 0.00 0.00 43.02 41.36 1k2n s PHE 626 CO -0.00 -0.22 0.20 0.21 -1.46 0.00 0.00 175.22 173.95 1k2n s LYS 627 N 0.25 3.98 0.10 10.12 2.20 -1.26 0.17 119.74 135.31 1k2n s LYS 627 Ca -0.08 -0.06 0.02 0.00 -0.36 0.00 0.00 55.97 55.49 1k2n s LYS 627 Cb -0.13 -3.34 -0.04 0.00 -1.51 0.00 0.00 37.83 32.80 1k2n s LYS 627 CO 0.03 0.45 -0.07 0.21 -0.36 0.00 0.00 175.35 175.61 1k2n s LYS 628 N -0.11 0.86 -0.29 4.03 2.36 0.30 -4.91 119.74 121.98 1k2n s LYS 628 Ca 0.13 -1.33 -0.29 0.00 -2.55 0.00 0.00 55.97 51.93 1k2n s LYS 628 Cb -0.12 -0.29 0.00 0.00 -1.05 0.00 0.00 37.83 36.37 1k2n s LYS 628 CO 0.02 0.00 1.31 0.50 1.55 0.00 0.00 175.35 178.74 1k2n s ARG 629 N -3.73 3.91 0.28 4.03 6.06 -1.26 0.22 118.95 128.47 1k2n s ARG 629 Ca 0.12 1.27 -0.30 0.00 -2.50 0.00 0.00 55.73 54.32 1k2n s ARG 629 Cb 0.04 -3.88 -0.11 0.00 0.06 0.00 0.00 34.95 31.06 1k2n s ARG 629 CO -0.04 -1.12 1.56 -1.58 -2.50 0.00 0.00 175.30 171.62 1k2n s HIS 630 N 4.39 2.80 0.00 5.12 5.65 0.41 -4.86 115.29 128.81 1k2n s HIS 630 Ca 0.57 0.84 0.00 0.00 0.25 0.00 0.00 55.06 56.71 1k2n s HIS 630 Cb -0.17 -4.02 0.00 0.00 -1.18 0.00 0.00 32.58 27.21 1k2n s HIS 630 CO 0.23 -3.40 0.00 0.00 -0.65 0.00 0.00 174.74 170.92 1k2n n ALA 631 N 2.18 0.00 -3.53 1.58 0.00 -1.26 -4.14 120.51 115.35 1k2n n ALA 631 Ca 0.08 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.44 1k2n n ALA 631 Cb 0.38 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.81 1k2n n ALA 631 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1k2n s VAL 632 N -0.23 0.00 -0.37 0.00 0.11 -1.26 -4.52 120.40 114.13 1k2n s VAL 632 Ca 0.00 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.07 1k2n s VAL 632 Cb 0.00 -1.00 0.15 0.00 -1.53 0.00 0.00 36.38 34.00 1k2n s VAL 632 CO 0.00 0.00 0.33 -0.83 -3.33 0.00 0.00 175.10 171.27 1k2n s GLY 633 N -2.39 0.21 0.41 6.54 0.00 -1.26 -5.12 107.32 105.70 1k2n s GLY 633 Ca 0.06 -1.22 0.00 0.00 0.00 0.00 0.00 44.72 43.56 1k2n s GLY 633 CO -0.08 2.57 0.00 0.28 0.00 0.00 0.00 173.10 175.87 1k2n n LYS 634 N 4.18 -3.03 -1.96 2.90 5.02 -1.26 -4.91 118.16 119.11 1k2n n LYS 634 Ca 0.11 2.13 -0.03 0.00 -2.02 0.00 0.00 58.31 58.50 1k2n n LYS 634 Cb 0.43 -3.65 0.05 0.00 -0.02 0.00 0.00 35.03 31.84 1k2n n LYS 634 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1k2n n SER 635 N -4.33 -1.06 -4.62 4.39 3.41 -1.26 -4.81 113.62 105.34 1k2n n SER 635 Ca -0.01 -1.86 -0.43 0.00 -0.26 0.00 0.00 58.87 56.31 1k2n n SER 635 Cb 0.68 0.46 -0.03 0.00 -0.26 0.00 0.00 64.21 65.05 1k2n n SER 635 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 1k2n s MET 636 N 0.07 3.46 0.00 4.33 0.00 -1.26 -3.73 119.30 122.17 1k2n s MET 636 Ca 0.05 2.19 0.00 0.00 0.00 0.00 0.00 55.69 57.93 1k2n s MET 636 Cb 0.25 -4.30 0.00 0.00 0.00 0.00 0.00 34.83 30.78 1k2n s MET 636 CO -0.07 -1.73 0.00 0.98 0.00 0.00 0.00 175.02 174.20 1k2n n TYR 637 N 10.33 0.00 -2.57 4.11 4.19 -1.26 -4.86 117.16 127.10 1k2n n TYR 637 Ca 0.26 0.00 -0.37 0.00 3.31 0.00 0.00 57.90 61.10 1k2n n TYR 637 Cb 0.44 0.00 -0.04 0.00 0.49 0.00 0.00 39.34 40.22 1k2n n TYR 637 CO 0.00 0.00 0.00 -1.83 0.91 0.00 0.00 176.86 175.94 1k2n s GLU 638 N 0.00 4.35 -0.60 2.98 -1.05 -1.24 -5.02 118.70 118.11 1k2n s GLU 638 Ca 0.00 1.55 -0.00 0.00 -0.15 0.00 0.00 54.97 56.36 1k2n s GLU 638 Cb 0.00 -2.74 0.15 0.00 -0.44 0.00 0.00 34.13 31.10 1k2n s GLU 638 CO 0.00 0.02 0.39 -1.54 0.95 0.00 0.00 175.26 175.08 1k2n s SER 639 N -1.41 4.93 0.00 0.83 1.04 -1.26 -4.50 113.70 113.33 1k2n s SER 639 Ca 0.53 -2.95 0.00 0.00 0.48 0.00 0.00 55.95 54.01 1k2n s SER 639 Cb -0.24 -1.78 0.00 0.00 0.10 0.00 0.00 66.02 64.10 1k2n s SER 639 CO 0.30 -0.31 0.00 -2.65 0.98 0.00 0.00 173.24 171.56 1k2n n PRO 640 N 3.30 1.63 0.13 4.02 -0.02 -1.26 -4.76 135.00 138.04 1k2n n PRO 640 Ca 0.07 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.66 1k2n n PRO 640 Cb 0.36 0.00 0.50 0.00 -0.02 0.00 0.00 33.50 34.34 1k2n n PRO 640 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1k2n n ALA 641 N -3.00 1.26 0.00 3.55 0.00 -1.26 -4.87 120.51 116.19 1k2n n ALA 641 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1k2n n ALA 641 Cb 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.14 1k2n n ALA 641 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1k2n n GLN 642 N -2.16 0.00 0.00 0.00 6.02 -1.26 -4.09 117.38 115.89 1k2n n GLN 642 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1k2n n GLN 642 Cb 0.10 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.36 1k2n n GLN 642 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1k2n n GLY 643 N 0.00 -1.27 0.00 1.08 0.00 -1.26 -4.74 105.19 99.00 1k2n n GLY 643 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.45 1k2n n GLY 643 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1k2n n LEU 644 N 0.00 0.00 -4.65 0.99 4.77 -1.26 -4.80 117.00 112.05 1k2n n LEU 644 Ca 0.00 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.63 1k2n n LEU 644 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 1k2n n LEU 644 CO 0.00 0.00 -0.31 -1.81 -1.33 0.00 0.00 177.39 173.94 1k2n s ASP 645 N -0.12 5.19 0.23 -1.43 1.01 0.23 0.16 116.67 121.94 1k2n s ASP 645 Ca 0.00 0.10 0.10 0.00 0.71 0.00 0.00 52.55 53.46 1k2n s ASP 645 Cb 0.00 -1.55 -0.04 0.00 1.01 0.00 0.00 42.92 42.34 1k2n s ASP 645 CO 0.00 0.33 -0.11 -0.62 0.21 0.00 0.00 175.17 174.98 1k2n s ASP 646 N -0.61 4.08 -0.26 0.27 -1.08 0.60 0.15 116.67 119.82 1k2n s ASP 646 Ca 0.10 -0.74 -0.06 0.00 -0.52 0.00 0.00 52.55 51.33 1k2n s ASP 646 Cb -0.12 -0.60 -0.00 0.00 -1.46 0.00 0.00 42.92 40.74 1k2n s ASP 646 CO 0.02 0.06 0.04 0.27 0.52 0.00 0.00 175.17 176.08 1k2n s ILE 647 N -2.08 3.79 -0.18 4.11 -4.36 -1.26 0.11 121.20 121.34 1k2n s ILE 647 Ca 0.27 -0.58 -0.08 0.00 -0.26 0.00 0.00 60.65 60.01 1k2n s ILE 647 Cb -0.07 -2.86 -0.04 0.00 1.25 0.00 0.00 42.46 40.73 1k2n s ILE 647 CO 0.16 0.22 0.08 0.26 0.24 0.00 0.00 174.94 175.90 1k2n s TRP 648 N 1.50 3.31 -0.31 1.37 0.52 0.46 -0.64 118.94 125.15 1k2n s TRP 648 Ca 0.04 0.17 -0.20 0.00 0.02 0.00 0.00 56.10 56.13 1k2n s TRP 648 Cb -0.16 -2.07 -0.01 0.00 -1.15 0.00 0.00 33.47 30.08 1k2n s TRP 648 CO 0.01 0.25 0.60 -0.47 0.02 0.00 0.00 176.95 177.35 1k2n s TYR 649 N 0.19 3.21 -0.23 -1.98 6.14 0.68 0.17 117.35 125.54 1k2n s TYR 649 Ca 0.05 0.51 -0.08 0.00 0.64 0.00 0.00 57.07 58.19 1k2n s TYR 649 Cb -0.12 -2.96 -0.04 0.00 0.42 0.00 0.00 41.96 39.27 1k2n s TYR 649 CO -0.00 -0.47 0.09 0.00 0.64 0.00 0.00 175.55 175.81 1k2n s HIS 651 N 1.14 3.38 0.00 0.00 2.46 -0.63 0.18 115.29 121.82 1k2n s HIS 651 Ca 0.05 0.29 0.00 0.00 0.47 0.00 0.00 55.06 55.87 1k2n s HIS 651 Cb -0.14 -2.01 0.00 0.00 -0.13 0.00 0.00 32.58 30.30 1k2n s HIS 651 CO 0.04 0.41 0.57 0.25 -2.47 0.00 0.00 174.74 173.54 1k2n n THR 652 N 2.85 0.24 -3.00 0.89 -2.24 0.91 0.12 114.28 114.06 1k2n n THR 652 Ca -0.18 -0.26 -0.32 0.00 -2.27 0.00 0.00 64.05 61.02 1k2n n THR 652 Cb 0.53 0.98 -0.05 0.00 -2.10 0.00 0.00 70.33 69.68 1k2n n THR 652 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1k2n s GLY 653 N -0.24 2.23 0.27 3.38 0.00 0.83 -4.71 107.32 109.08 1k2n s GLY 653 Ca 0.00 0.03 0.12 0.00 0.00 0.00 0.00 44.72 44.87 1k2n s GLY 653 CO 0.00 0.25 1.58 0.00 0.00 0.00 0.00 173.10 174.93 1k2n h THR 654 N 1.69 1.35 0.00 0.90 1.03 -1.89 -3.07 112.91 112.93 1k2n h THR 654 Ca -0.48 -2.19 0.00 0.00 -0.01 0.00 0.00 66.41 63.74 1k2n h THR 654 Cb 1.18 2.21 0.00 0.00 -1.07 0.00 0.00 68.15 70.47 1k2n h THR 654 CO 0.64 0.61 0.00 0.59 -0.01 0.00 0.00 175.52 177.35 1k2n n ASN 655 N -3.67 0.00 -1.91 0.00 4.13 -1.26 -4.90 115.26 107.65 1k2n n ASN 655 Ca -0.01 -0.43 0.00 0.00 1.68 0.00 0.00 54.58 55.82 1k2n n ASN 655 Cb 0.64 -0.09 0.00 0.00 -1.54 0.00 0.00 39.78 38.79 1k2n n ASN 655 CO 0.00 0.00 0.00 0.55 0.28 0.00 0.00 177.26 178.09 1k2n n VAL 656 N -1.09 -7.61 -3.21 2.41 3.14 -1.16 -4.80 118.33 106.01 1k2n n VAL 656 Ca 0.13 2.37 -0.20 0.00 -2.96 0.00 0.00 64.34 63.69 1k2n n VAL 656 Cb 0.10 -3.54 0.01 0.00 -1.06 0.00 0.00 33.84 29.34 1k2n n VAL 656 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1k2n s SER 657 N -1.05 5.82 -0.06 6.55 1.04 -0.38 -4.56 113.70 121.06 1k2n s SER 657 Ca 0.00 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.31 1k2n s SER 657 Cb 0.00 -1.15 0.02 0.00 0.10 0.00 0.00 66.02 64.99 1k2n s SER 657 CO 0.00 -0.61 -0.04 -0.31 0.98 0.00 0.00 173.24 173.26 1k2n s TYR 658 N -2.34 0.79 -0.62 5.02 1.51 0.42 0.14 117.35 122.28 1k2n s TYR 658 Ca 0.49 -0.24 -0.19 0.00 -1.01 0.00 0.00 57.07 56.11 1k2n s TYR 658 Cb -0.10 -0.75 0.10 0.00 -0.11 0.00 0.00 41.96 41.10 1k2n s TYR 658 CO 0.33 -0.26 0.76 -1.17 -1.11 0.00 0.00 175.55 174.11 1k2n s LEU 659 N 1.26 5.27 0.00 -1.29 1.98 0.13 0.13 118.68 126.17 1k2n s LEU 659 Ca -0.05 -1.42 0.00 0.00 -2.89 0.00 0.00 54.13 49.76 1k2n s LEU 659 Cb -0.14 -2.32 0.00 0.00 0.66 0.00 0.00 46.19 44.39 1k2n s LEU 659 CO -0.02 -1.15 0.00 -3.20 -1.89 0.00 0.00 176.35 170.09 1k2n n ASN 660 N 6.48 0.00 0.00 3.68 2.85 -1.04 -0.41 115.26 126.83 1k2n n ASN 660 Ca -0.07 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.40 1k2n n ASN 660 Cb 0.43 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.45 1k2n n ASN 660 CO 0.00 0.00 0.00 -0.46 -2.11 0.00 0.00 177.26 174.69 1k2n n ASN 661 N 1.28 0.10 -4.84 1.20 6.94 -1.26 -4.96 115.26 113.72 1k2n n ASN 661 Ca 0.00 -0.41 -0.38 0.00 -0.02 0.00 0.00 54.58 53.78 1k2n n ASN 661 Cb 0.00 0.45 -0.06 0.00 -2.36 0.00 0.00 39.78 37.81 1k2n n ASN 661 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 1k2n s ASN 662 N -0.45 6.84 0.21 0.53 -0.87 0.45 -5.07 114.94 116.58 1k2n s ASN 662 Ca 0.00 1.00 -0.25 0.00 -1.57 0.00 0.00 52.86 52.05 1k2n s ASN 662 Cb 0.00 -2.26 -0.08 0.00 -0.02 0.00 0.00 41.25 38.88 1k2n s ASN 662 CO 0.00 0.30 0.80 -0.60 -2.57 0.00 0.00 177.10 175.03 1k2n s ARG 663 N -1.19 4.52 -0.13 -0.60 3.52 -1.26 0.18 118.95 123.99 1k2n s ARG 663 Ca 0.26 1.14 0.01 0.00 -0.13 0.00 0.00 55.73 57.01 1k2n s ARG 663 Cb -0.17 -3.11 0.02 0.00 -1.56 0.00 0.00 34.95 30.13 1k2n s ARG 663 CO 0.15 0.48 -0.14 -1.64 -0.81 0.00 0.00 175.30 173.35 1k2n s MET 664 N -1.47 2.17 0.19 5.12 -1.94 0.37 -4.85 119.30 118.88 1k2n s MET 664 Ca 0.40 -0.52 0.05 0.00 -1.71 0.00 0.00 55.69 53.91 1k2n s MET 664 Cb -0.21 -1.97 -0.04 0.00 2.01 0.00 0.00 34.83 34.63 1k2n s MET 664 CO 0.25 -0.18 0.22 0.96 -0.01 0.00 0.00 175.02 176.25 1k2n s ILE 665 N 1.35 4.80 -0.62 2.53 -4.36 -1.26 -1.25 121.20 122.38 1k2n s ILE 665 Ca 0.01 -1.03 -0.32 0.00 -0.26 0.00 0.00 60.65 59.05 1k2n s ILE 665 Cb -0.13 -3.51 -0.15 0.00 1.25 0.00 0.00 42.46 39.92 1k2n s ILE 665 CO -0.07 -0.18 2.42 1.67 0.24 0.00 0.00 174.94 179.01 1k2n n GLN 666 N -0.70 0.58 0.00 0.37 7.27 -1.25 -1.51 117.38 122.14 1k2n n GLN 666 Ca -0.08 0.09 0.00 0.00 0.07 0.00 0.00 57.00 57.08 1k2n n GLN 666 Cb 0.55 -2.27 0.00 0.00 2.41 0.00 0.00 30.24 30.94 1k2n n GLN 666 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1k2n n GLY 667 N 6.50 1.43 3.56 1.69 0.00 0.33 -4.92 105.19 113.78 1k2n n GLY 667 Ca 0.50 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.28 1k2n n GLY 667 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1k2n s THR 668 N -2.00 2.67 0.03 2.61 -4.23 -0.57 0.99 115.64 115.14 1k2n s THR 668 Ca 0.00 -2.17 0.04 0.00 -1.18 0.00 0.00 61.69 58.38 1k2n s THR 668 Cb 0.00 -2.59 -0.02 0.00 1.34 0.00 0.00 72.50 71.23 1k2n s THR 668 CO 0.00 -0.31 -0.12 -0.75 -0.54 0.00 0.00 174.62 172.90 1k2n s LYS 669 N -3.61 0.81 -0.05 3.99 2.20 0.34 -1.61 119.74 121.81 1k2n s LYS 669 Ca 0.32 -0.65 -0.11 0.00 -0.36 0.00 0.00 55.97 55.17 1k2n s LYS 669 Cb -0.03 -0.77 0.02 0.00 -1.51 0.00 0.00 37.83 35.54 1k2n s LYS 669 CO 0.17 0.19 0.26 0.12 -0.36 0.00 0.00 175.35 175.73 1k2n s PHE 670 N -0.78 -0.18 0.13 4.03 2.19 -0.70 0.28 117.98 122.95 1k2n s PHE 670 Ca 0.00 0.38 -0.31 0.00 0.33 0.00 0.00 56.93 57.33 1k2n s PHE 670 Cb -0.07 0.07 -0.08 0.00 -1.31 0.00 0.00 43.02 41.62 1k2n s PHE 670 CO 0.01 -0.27 1.42 -1.17 1.83 0.00 0.00 175.22 177.03 1k2n s LEU 671 N -0.74 4.37 -0.15 6.12 1.98 -1.26 -0.23 118.68 128.77 1k2n s LEU 671 Ca -0.08 2.38 -0.03 0.00 -2.89 0.00 0.00 54.13 53.51 1k2n s LEU 671 Cb -0.04 -3.59 -0.03 0.00 0.66 0.00 0.00 46.19 43.19 1k2n s LEU 671 CO 0.02 -0.68 -0.05 -0.76 -1.89 0.00 0.00 176.35 173.00 1k2n s LEU 672 N 1.03 3.17 0.04 -0.68 1.43 0.19 -4.87 118.68 118.99 1k2n s LEU 672 Ca 0.65 -0.16 0.07 0.00 -1.03 0.00 0.00 54.13 53.66 1k2n s LEU 672 Cb -0.38 -1.76 -0.02 0.00 0.03 0.00 0.00 46.19 44.06 1k2n s LEU 672 CO 0.31 0.16 -0.20 -1.10 0.23 0.00 0.00 176.35 175.75 1k2n s GLN 673 N 0.40 1.37 -0.45 1.70 -0.21 -1.26 -4.47 119.66 116.73 1k2n s GLN 673 Ca -0.05 -0.92 -0.45 0.00 0.02 0.00 0.00 55.36 53.97 1k2n s GLN 673 Cb -0.14 -1.47 -0.19 0.00 1.00 0.00 0.00 33.01 32.21 1k2n s GLN 673 CO 0.03 0.38 1.71 -3.47 -2.12 0.00 0.00 175.29 171.81 1k2n n ASP 674 N 1.89 1.42 -0.08 5.90 -0.08 0.62 -1.09 116.55 125.14 1k2n n ASP 674 Ca -0.17 1.09 0.00 0.00 -1.51 0.00 0.00 54.79 54.20 1k2n n ASP 674 Cb 0.53 -0.94 0.00 0.00 2.34 0.00 0.00 41.12 43.05 1k2n n ASP 674 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1k2n n GLY 675 N 4.51 1.21 3.50 0.27 0.00 0.56 -4.78 105.19 110.46 1k2n n GLY 675 Ca 0.33 -0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 1k2n n GLY 675 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1k2n s ASP 676 N -2.40 6.26 -0.45 1.61 2.15 -0.25 -4.75 116.67 118.84 1k2n s ASP 676 Ca 0.00 -0.52 -0.18 0.00 0.43 0.00 0.00 52.55 52.28 1k2n s ASP 676 Cb 0.00 -2.27 0.04 0.00 -0.30 0.00 0.00 42.92 40.39 1k2n s ASP 676 CO 0.00 -0.69 0.52 -0.70 -0.17 0.00 0.00 175.17 174.13 1k2n s GLU 677 N 2.48 3.12 -0.23 4.34 2.12 -1.26 0.12 118.70 129.39 1k2n s GLU 677 Ca 0.17 -0.80 -0.07 0.00 0.36 0.00 0.00 54.97 54.63 1k2n s GLU 677 Cb -0.16 -4.02 -0.03 0.00 0.26 0.00 0.00 34.13 30.18 1k2n s GLU 677 CO 0.16 -1.00 0.07 0.42 -0.54 0.00 0.00 175.26 174.37 1k2n s ILE 678 N 2.33 4.44 -0.32 -3.70 1.01 -0.43 -2.49 121.20 122.05 1k2n s ILE 678 Ca 0.14 -0.13 -0.29 0.00 0.00 0.00 0.00 60.65 60.36 1k2n s ILE 678 Cb -0.18 -3.06 0.01 0.00 0.01 0.00 0.00 42.46 39.25 1k2n s ILE 678 CO 0.13 0.37 1.14 -0.75 0.00 0.00 0.00 174.94 175.82 1k2n s LYS 679 N 1.30 4.02 0.11 2.79 2.20 0.36 -2.28 119.74 128.24 1k2n s LYS 679 Ca 0.05 1.11 0.02 0.00 -0.36 0.00 0.00 55.97 56.79 1k2n s LYS 679 Cb -0.15 -3.78 -0.20 0.00 -1.51 0.00 0.00 37.83 32.20 1k2n s LYS 679 CO 0.04 -0.97 1.25 0.82 -0.36 0.00 0.00 175.35 176.13 1k2n h ILE 680 N 5.80 1.61 -2.39 5.43 2.04 0.75 1.21 117.51 131.96 1k2n h ILE 680 Ca -0.22 -3.17 -0.06 0.00 1.00 0.00 0.00 64.86 62.41 1k2n h ILE 680 Cb 1.07 2.82 -0.24 0.00 -0.74 0.00 0.00 36.82 39.73 1k2n h ILE 680 CO 1.04 0.91 -0.15 -0.51 0.00 0.00 0.00 178.15 179.44 1k2n s ILE 681 N -2.77 -0.01 -0.04 -0.67 2.07 -0.68 -4.07 121.20 115.02 1k2n s ILE 681 Ca -0.01 0.05 -0.00 0.00 -1.41 0.00 0.00 60.65 59.27 1k2n s ILE 681 Cb 0.09 -0.77 0.03 0.00 0.13 0.00 0.00 42.46 41.94 1k2n s ILE 681 CO 0.84 0.02 -0.01 0.86 -1.91 0.00 0.00 174.94 174.75 1k2n s TRP 682 N 1.30 0.49 -0.16 3.50 -0.00 -1.25 0.24 118.94 123.05 1k2n s TRP 682 Ca -0.08 -0.07 0.00 0.00 -0.00 0.00 0.00 56.10 55.95 1k2n s TRP 682 Cb -0.06 -0.57 0.03 0.00 -0.00 0.00 0.00 33.47 32.87 1k2n s TRP 682 CO -0.13 -0.20 -0.10 -0.51 -0.00 0.00 0.00 176.95 176.01 1k2n s ASP 683 N 1.30 2.85 0.06 5.86 1.01 -0.23 -4.97 116.67 122.55 1k2n s ASP 683 Ca -0.06 -0.61 -0.20 0.00 0.71 0.00 0.00 52.55 52.39 1k2n s ASP 683 Cb -0.13 -1.08 -0.11 0.00 1.01 0.00 0.00 42.92 42.60 1k2n s ASP 683 CO -0.02 -0.12 1.46 0.11 0.21 0.00 0.00 175.17 176.81 1k2n h LYS 684 N 8.06 0.36 -0.14 8.23 1.57 -1.94 1.06 116.57 133.76 1k2n h LYS 684 Ca -0.31 -0.13 -0.22 0.00 -1.87 0.00 0.00 60.65 58.12 1k2n h LYS 684 Cb 1.12 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 33.42 1k2n h LYS 684 CO 0.47 0.60 -0.75 -0.91 -0.57 0.00 0.00 179.45 178.29 1k2n h ASN 685 N 0.09 0.91 0.83 0.86 2.35 -1.99 -3.24 115.58 115.39 1k2n h ASN 685 Ca 0.05 -0.64 0.00 0.00 -0.55 0.00 0.00 56.30 55.16 1k2n h ASN 685 Cb 0.46 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.57 1k2n h ASN 685 CO 0.02 1.40 -0.59 -3.20 -1.65 0.00 0.00 177.43 173.40 1k2n n ASN 686 N -3.97 0.66 -1.35 5.81 5.15 -1.24 -4.93 115.26 115.39 1k2n n ASN 686 Ca -0.08 0.09 -0.17 0.00 -0.60 0.00 0.00 54.58 53.82 1k2n n ASN 686 Cb 0.73 0.14 -0.07 0.00 -0.53 0.00 0.00 39.78 40.05 1k2n n ASN 686 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1k2n n LYS 687 N -2.03 -1.54 -2.69 1.20 4.76 0.36 -4.90 118.16 113.33 1k2n n LYS 687 Ca 0.04 1.11 -0.42 0.00 -2.87 0.00 0.00 58.31 56.16 1k2n n LYS 687 Cb 0.43 -5.51 -0.03 0.00 -1.84 0.00 0.00 35.03 28.08 1k2n n LYS 687 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 1k2n s PHE 688 N -2.48 2.65 -0.14 2.13 5.36 -1.12 -4.83 117.98 119.55 1k2n s PHE 688 Ca 0.00 0.17 0.02 0.00 -0.96 0.00 0.00 56.93 56.16 1k2n s PHE 688 Cb 0.00 -4.35 0.01 0.00 -0.34 0.00 0.00 43.02 38.34 1k2n s PHE 688 CO 0.00 -1.55 -0.19 0.54 -1.46 0.00 0.00 175.22 172.56 1k2n s VAL 689 N 4.61 1.86 -0.10 3.12 0.11 -1.26 -1.07 120.40 127.68 1k2n s VAL 689 Ca 0.37 -0.85 0.01 0.00 -2.93 0.00 0.00 61.98 58.58 1k2n s VAL 689 Cb -0.10 -1.67 0.02 0.00 -1.53 0.00 0.00 36.38 33.10 1k2n s VAL 689 CO 0.21 0.51 -0.12 -0.51 -3.33 0.00 0.00 175.10 171.86 1k2n s ILE 690 N 1.02 1.25 -0.08 7.04 2.07 0.14 -2.65 121.20 129.98 1k2n s ILE 690 Ca -0.04 -0.49 -0.28 0.00 -1.41 0.00 0.00 60.65 58.44 1k2n s ILE 690 Cb -0.15 -1.17 0.06 0.00 0.13 0.00 0.00 42.46 41.33 1k2n s ILE 690 CO -0.05 0.39 0.64 -0.83 -1.91 0.00 0.00 174.94 173.19 1k2n s GLY 691 N 1.11 -0.53 0.15 1.50 0.00 -1.26 0.13 107.32 108.42 1k2n s GLY 691 Ca -0.05 1.33 0.09 0.00 0.00 0.00 0.00 44.72 46.09 1k2n s GLY 691 CO -0.02 1.00 -0.16 -1.36 0.00 0.00 0.00 173.10 172.56 1k2n s PHE 692 N -0.92 2.54 -0.31 1.90 0.08 -0.96 -2.52 117.98 117.79 1k2n s PHE 692 Ca -0.09 -0.26 -0.11 0.00 0.12 0.00 0.00 56.93 56.59 1k2n s PHE 692 Cb -0.01 -1.30 -0.03 0.00 -0.57 0.00 0.00 43.02 41.11 1k2n s PHE 692 CO 0.08 0.44 0.19 0.21 -0.10 0.00 0.00 175.22 176.04 1k2n s LYS 693 N -2.43 3.63 0.01 0.44 2.20 -0.97 -1.31 119.74 121.32 1k2n s LYS 693 Ca 0.21 -0.54 -0.30 0.00 -0.36 0.00 0.00 55.97 54.98 1k2n s LYS 693 Cb -0.10 -3.66 -0.05 0.00 -1.51 0.00 0.00 37.83 32.51 1k2n s LYS 693 CO 0.12 -0.33 1.18 0.08 -0.36 0.00 0.00 175.35 176.04 1k2n s VAL 694 N 1.70 4.19 -0.21 4.02 1.01 0.33 -1.26 120.40 130.19 1k2n s VAL 694 Ca 0.06 1.56 -0.02 0.00 0.00 0.00 0.00 61.98 63.58 1k2n s VAL 694 Cb -0.17 -4.00 0.06 0.00 0.00 0.00 0.00 36.38 32.28 1k2n s VAL 694 CO 0.09 0.08 0.03 -0.70 0.00 0.00 0.00 175.10 174.60 1k2n s GLU 695 N 1.48 0.79 -0.59 2.72 2.12 0.46 0.21 118.70 125.90 1k2n s GLU 695 Ca 0.57 -0.56 -0.26 0.00 0.36 0.00 0.00 54.97 55.08 1k2n s GLU 695 Cb -0.27 -2.16 0.04 0.00 0.26 0.00 0.00 34.13 32.00 1k2n s GLU 695 CO 0.26 -0.67 1.07 0.42 -0.54 0.00 0.00 175.26 175.81 1k2n s ILE 696 N 1.77 4.17 -0.13 -3.70 1.01 -1.26 0.12 121.20 123.18 1k2n s ILE 696 Ca -0.01 0.51 -0.19 0.00 0.00 0.00 0.00 60.65 60.96 1k2n s ILE 696 Cb -0.17 -4.66 -0.25 0.00 0.01 0.00 0.00 42.46 37.38 1k2n s ILE 696 CO -0.10 -1.29 0.52 0.78 0.00 0.00 0.00 174.94 174.85 1k2n h ASN 697 N 9.49 0.25 -3.63 3.58 -0.26 -1.02 -3.46 115.58 120.52 1k2n h ASN 697 Ca -0.26 -0.80 -0.68 0.00 -0.56 0.00 0.00 56.30 53.99 1k2n h ASN 697 Cb 1.06 -0.08 -0.18 0.00 -1.06 0.00 0.00 38.32 38.06 1k2n h ASN 697 CO 1.15 1.50 -0.69 -0.62 -1.06 0.00 0.00 177.43 177.72 1k2n s ASP 698 N -6.88 4.69 -0.41 5.81 2.15 -0.95 -5.03 116.67 116.04 1k2n s ASP 698 Ca -0.22 -0.03 -0.02 0.00 0.43 0.00 0.00 52.55 52.72 1k2n s ASP 698 Cb 0.04 -1.18 0.11 0.00 -0.30 0.00 0.00 42.92 41.59 1k2n s ASP 698 CO 0.72 0.35 0.20 0.42 -0.17 0.00 0.00 175.17 176.69 1k2n s THR 699 N -0.85 3.18 -1.42 1.71 -4.23 -1.26 -4.57 115.64 108.20 1k2n s THR 699 Ca 0.13 -2.16 -0.13 0.00 -1.18 0.00 0.00 61.69 58.35 1k2n s THR 699 Cb -0.11 -3.19 0.07 0.00 1.34 0.00 0.00 72.50 70.61 1k2n s THR 699 CO 0.03 -0.69 2.16 0.41 -0.54 0.00 0.00 174.62 175.98 1k2n n THR 700 N 4.47 3.70 -3.27 3.99 -1.04 -1.26 -4.28 114.28 116.58 1k2n n THR 700 Ca -0.01 -3.35 -0.17 0.00 -2.04 0.00 0.00 64.05 58.49 1k2n n THR 700 Cb 0.41 -2.54 0.06 0.00 -1.82 0.00 0.00 70.33 66.43 1k2n n THR 700 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1k2n n GLY 701 N 3.76 -0.11 3.72 3.41 0.00 -1.26 -4.67 105.19 110.03 1k2n n GLY 701 Ca 0.50 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 46.08 1k2n n GLY 701 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k2n s LEU 702 N -5.47 4.37 0.42 0.99 2.01 -1.25 0.77 118.68 120.53 1k2n s LEU 702 Ca 0.40 2.72 0.35 0.00 0.01 0.00 0.00 54.13 57.60 1k2n s LEU 702 Cb -0.18 -3.59 1.39 0.00 0.01 0.00 0.00 46.19 43.82 1k2n s LEU 702 CO 0.52 -0.89 1.36 2.22 1.01 0.00 0.00 176.35 180.57 1k2n n PHE 703 N 4.04 0.37 0.00 0.29 -1.74 0.41 -3.40 117.46 117.42 1k2n n PHE 703 Ca 0.15 0.37 0.00 0.00 -0.56 0.00 0.00 57.45 57.41 1k2n n PHE 703 Cb 0.37 -0.80 0.00 0.00 1.52 0.00 0.00 39.48 40.57 1k2n n PHE 703 CO 0.00 0.00 0.00 -1.71 -0.56 0.00 0.00 176.76 174.49 1k2n n ASN 704 N -4.14 0.00 0.00 5.98 5.15 -1.26 -4.62 115.26 116.36 1k2n n ASN 704 Ca 0.37 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.35 1k2n n ASN 704 Cb 1.53 0.01 0.00 0.00 -0.53 0.00 0.00 39.78 40.79 1k2n n ASN 704 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 1k2n n GLU 705 N -1.81 0.00 0.00 1.20 0.28 -1.22 -4.78 120.64 114.30 1k2n n GLU 705 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1k2n n GLU 705 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1k2n n GLU 705 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1k2n n GLY 706 N 0.00 1.76 0.95 -1.84 0.00 -1.26 -4.43 105.19 100.37 1k2n n GLY 706 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 1k2n n GLY 706 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1k2n n LEU 707 N 0.00 2.78 0.00 0.99 -0.00 -1.26 0.23 117.00 119.74 1k2n n LEU 707 Ca 0.00 -1.35 0.00 0.00 -0.00 0.00 0.00 56.01 54.66 1k2n n LEU 707 Cb 0.00 -0.32 0.00 0.00 -0.00 0.00 0.00 43.42 43.10 1k2n n LEU 707 CO 0.00 0.68 0.00 0.61 -0.00 0.00 0.00 177.39 178.68 1k2n n GLY 708 N 1.34 0.60 0.00 -3.96 0.00 -1.26 -4.90 105.19 97.01 1k2n n GLY 708 Ca 0.18 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.85 1k2n n GLY 708 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1k2n n MET 709 N 4.63 0.00 -2.66 1.61 0.00 -1.26 -4.95 117.12 114.50 1k2n n MET 709 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1k2n n MET 709 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 1k2n n MET 709 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 175.97 177.44 1k2n n LEU 710 N 0.00 -3.68 -0.69 3.17 -0.00 -1.26 -4.72 117.00 109.83 1k2n n LEU 710 Ca 0.00 0.67 0.00 0.00 -0.00 0.00 0.00 56.01 56.68 1k2n n LEU 710 Cb 0.00 -1.31 0.00 0.00 -0.00 0.00 0.00 43.42 42.11 1k2n n LEU 710 CO 0.00 -2.04 -0.07 1.67 -0.00 0.00 0.00 177.39 176.95 1k2n n GLN 711 N 1.97 -0.85 -1.68 1.47 0.00 -1.26 -4.78 117.38 112.26 1k2n n GLN 711 Ca 0.00 0.98 -0.34 0.00 -0.00 0.00 0.00 57.00 57.63 1k2n n GLN 711 Cb 0.12 -0.65 -0.03 0.00 0.00 0.00 0.00 30.24 29.68 1k2n n GLN 711 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 1k2n s GLU 712 N -2.77 2.18 -0.21 3.69 8.01 -1.26 -4.92 118.70 123.42 1k2n s GLU 712 Ca 0.00 1.11 -0.02 0.00 0.01 0.00 0.00 54.97 56.07 1k2n s GLU 712 Cb 0.00 -4.57 0.01 0.00 -4.31 0.00 0.00 34.13 25.26 1k2n s GLU 712 CO 0.00 -3.27 -0.10 -0.65 0.01 0.00 0.00 175.26 171.25 1k2n s GLN 713 N 8.03 3.11 -0.30 1.61 -1.52 -1.26 -5.07 119.66 124.26 1k2n s GLN 713 Ca 0.90 -0.78 -0.17 0.00 -1.95 0.00 0.00 55.36 53.35 1k2n s GLN 713 Cb -0.15 -2.85 0.19 0.00 -0.22 0.00 0.00 33.01 29.98 1k2n s GLN 713 CO 0.23 -0.25 1.20 -0.98 -0.25 0.00 0.00 175.29 175.24 1k2n s ARG 714 N 1.38 0.11 0.07 2.91 1.70 -1.26 -5.00 118.95 118.86 1k2n s ARG 714 Ca 0.04 0.24 0.09 0.00 -0.47 0.00 0.00 55.73 55.62 1k2n s ARG 714 Cb -0.14 0.09 -0.03 0.00 -0.57 0.00 0.00 34.95 34.29 1k2n s ARG 714 CO -0.07 -0.03 -0.23 0.14 -1.08 0.00 0.00 175.30 174.03 1k2n s VAL 715 N 1.60 1.88 -0.16 4.99 -7.23 -1.26 -5.02 120.40 115.20 1k2n s VAL 715 Ca -0.05 -1.42 -0.29 0.00 -1.81 0.00 0.00 61.98 58.41 1k2n s VAL 715 Cb -0.02 -1.65 -0.01 0.00 0.56 0.00 0.00 36.38 35.26 1k2n s VAL 715 CO -0.14 0.16 1.18 0.54 -0.31 0.00 0.00 175.10 176.53 1k2n s VAL 716 N -0.93 4.41 0.46 1.32 0.11 -1.26 -4.67 120.40 119.84 1k2n s VAL 716 Ca 0.09 1.71 0.08 0.00 -2.93 0.00 0.00 61.98 60.94 1k2n s VAL 716 Cb -0.10 -4.10 0.03 0.00 -1.53 0.00 0.00 36.38 30.68 1k2n s VAL 716 CO 0.03 -0.12 0.59 -1.48 -3.33 0.00 0.00 175.10 170.79 1k2n s LEU 717 N 3.16 3.47 0.16 2.54 2.34 0.14 -4.88 118.68 125.62 1k2n s LEU 717 Ca 0.52 -0.58 -0.01 0.00 0.06 0.00 0.00 54.13 54.11 1k2n s LEU 717 Cb -0.20 -2.30 -0.04 0.00 -0.56 0.00 0.00 46.19 43.08 1k2n s LEU 717 CO 0.13 -0.89 0.34 -0.54 -1.06 0.00 0.00 176.35 174.34 1k2n s LYS 718 N -4.39 3.51 0.62 1.48 1.02 -1.26 0.13 119.74 120.84 1k2n s LYS 718 Ca 0.55 -0.35 -0.11 0.00 0.02 0.00 0.00 55.97 56.09 1k2n s LYS 718 Cb -0.08 -2.89 -0.04 0.00 -0.52 0.00 0.00 37.83 34.30 1k2n s LYS 718 CO 0.33 0.46 1.02 -0.65 -0.92 0.00 0.00 175.35 175.60 1k2n s GLN 719 N -3.06 3.58 0.42 1.68 -0.21 0.28 -4.62 119.66 117.73 1k2n s GLN 719 Ca 0.38 0.73 0.02 0.00 0.02 0.00 0.00 55.36 56.50 1k2n s GLN 719 Cb -0.12 -2.09 -0.01 0.00 1.00 0.00 0.00 33.01 31.80 1k2n s GLN 719 CO 0.28 -0.57 0.06 0.25 -2.12 0.00 0.00 175.29 173.19 1k2n n THR 720 N -2.74 0.00 0.00 -0.19 -2.24 -1.26 -4.97 114.28 102.88 1k2n n THR 720 Ca 0.06 -2.17 0.21 0.00 -2.27 0.00 0.00 64.05 59.89 1k2n n THR 720 Cb 0.54 0.60 0.72 0.00 -2.10 0.00 0.00 70.33 70.08 1k2n n THR 720 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1k2n h ALA 721 N 1.41 2.44 -0.21 6.98 0.00 -1.99 -0.50 119.26 127.40 1k2n h ALA 721 Ca -0.34 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 1k2n h ALA 721 Cb 1.13 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1k2n h ALA 721 CO 0.55 -0.71 0.00 1.49 0.00 0.00 0.00 179.25 180.58 1k2n h GLU 722 N 0.00 0.37 -0.32 0.00 4.81 -2.00 -2.20 114.58 115.24 1k2n h GLU 722 Ca 0.26 -0.12 -0.10 0.00 -0.13 0.00 0.00 59.36 59.28 1k2n h GLU 722 Cb 1.12 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.45 1k2n h GLU 722 CO -0.00 0.56 -0.18 0.93 -0.73 0.00 0.00 179.01 179.59 1k2n h GLU 723 N 0.13 0.68 -0.83 1.92 3.07 -1.53 -2.87 114.58 115.16 1k2n h GLU 723 Ca 0.06 -0.31 0.10 0.00 -0.50 0.00 0.00 59.36 58.71 1k2n h GLU 723 Cb 0.39 -0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 28.23 1k2n h GLU 723 CO 0.01 0.90 0.54 0.87 -1.40 0.00 0.00 179.01 179.93 1k2n h LYS 724 N 0.44 0.74 -0.33 2.33 1.57 -1.23 -0.77 116.57 119.33 1k2n h LYS 724 Ca 0.07 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.69 1k2n h LYS 724 Cb 0.71 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1k2n h LYS 724 CO 0.05 0.49 -0.26 0.22 -0.57 0.00 0.00 179.45 179.38 1k2n h ASP 725 N 0.77 0.69 -0.67 0.86 3.58 -1.25 -1.91 116.42 118.48 1k2n h ASP 725 Ca 0.38 -0.25 0.08 0.00 0.42 0.00 0.00 57.03 57.66 1k2n h ASP 725 Cb 0.46 -0.19 -0.06 0.00 1.72 0.00 0.00 39.33 41.26 1k2n h ASP 725 CO -0.15 0.92 0.34 -0.07 -2.88 0.00 0.00 179.24 177.40 1k2n h LEU 726 N 0.58 0.47 -0.22 2.28 3.38 -0.92 -1.54 115.31 119.35 1k2n h LEU 726 Ca 0.08 0.05 -0.17 0.00 0.09 0.00 0.00 57.88 57.92 1k2n h LEU 726 Cb 0.75 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 1k2n h LEU 726 CO 0.06 0.29 -0.81 1.62 0.09 0.00 0.00 178.44 179.69 1k2n h VAL 727 N 0.61 1.49 -0.38 1.22 3.04 -1.44 -3.20 116.25 117.59 1k2n h VAL 727 Ca 0.32 -2.86 0.06 0.00 -1.01 0.00 0.00 66.70 63.20 1k2n h VAL 727 Cb 0.28 2.59 -0.02 0.00 -2.01 0.00 0.00 31.29 32.12 1k2n h VAL 727 CO -0.23 0.79 0.26 0.11 -1.01 0.00 0.00 177.57 177.50 1k2n h LYS 728 N 0.00 0.25 -0.82 4.17 1.79 -0.46 0.21 116.57 121.71 1k2n h LYS 728 Ca -0.01 -0.02 -0.35 0.00 -2.18 0.00 0.00 60.65 58.10 1k2n h LYS 728 Cb 1.52 -0.06 -0.21 0.00 -1.58 0.00 0.00 32.23 31.91 1k2n h LYS 728 CO 0.11 0.17 0.42 1.63 -1.08 0.00 0.00 179.45 180.69 1k2n n LYS 729 N -4.47 2.88 0.00 3.15 5.02 -0.96 -5.09 118.16 118.68 1k2n n LYS 729 Ca 0.05 -3.06 0.16 0.00 -2.02 0.00 0.00 58.31 53.44 1k2n n LYS 729 Cb 0.27 -2.16 0.90 0.00 -0.02 0.00 0.00 35.03 34.02 1k2n n LYS 729 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77