#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k2n h ASN 574 N 0.00 0.00 0.00 1.61 -0.73 -2.03 -3.47 115.58 110.97 1k2n h ASN 574 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1k2n h ASN 574 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.59 1k2n h ASN 574 CO 0.00 0.18 0.00 0.61 -0.37 0.00 0.00 177.43 177.85 1k2n n GLY 575 N 0.52 1.65 3.65 1.57 0.00 -1.26 -5.10 105.19 106.22 1k2n n GLY 575 Ca 0.01 -0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 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 3.33 0.00 1.61 3.52 -1.26 -0.08 118.95 126.07 1k2n s ARG 576 Ca 0.00 -0.40 0.00 0.00 -0.13 0.00 0.00 55.73 55.20 1k2n s ARG 576 Cb 0.00 -2.92 0.00 0.00 -1.56 0.00 0.00 34.95 30.47 1k2n s ARG 576 CO 0.00 0.53 0.00 0.34 -0.81 0.00 0.00 175.30 175.36 1k2n n PHE 577 N 2.67 0.00 -5.10 5.12 -0.00 -0.94 -3.99 117.46 115.23 1k2n n PHE 577 Ca -0.18 0.00 -0.31 0.00 -0.00 0.00 0.00 57.45 56.96 1k2n n PHE 577 Cb 0.53 0.05 -0.15 0.00 -0.00 0.00 0.00 39.48 39.91 1k2n n PHE 577 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.76 175.59 1k2n s LEU 578 N -5.65 2.15 -0.21 -2.13 2.96 -1.12 -0.77 118.68 113.91 1k2n s LEU 578 Ca 0.00 -0.50 0.01 0.00 -0.22 0.00 0.00 54.13 53.42 1k2n s LEU 578 Cb 0.00 -1.34 0.04 0.00 0.50 0.00 0.00 46.19 45.40 1k2n s LEU 578 CO 0.00 0.29 -0.12 -0.89 -1.32 0.00 0.00 176.35 174.31 1k2n s THR 579 N -0.71 1.86 -0.38 3.68 2.01 0.36 0.12 115.64 122.57 1k2n s THR 579 Ca 0.11 -1.15 -0.10 0.00 0.31 0.00 0.00 61.69 60.86 1k2n s THR 579 Cb -0.10 -1.89 0.04 0.00 0.01 0.00 0.00 72.50 70.57 1k2n s THR 579 CO 0.01 0.19 0.21 -0.76 -0.69 0.00 0.00 174.62 173.58 1k2n s LEU 580 N 1.30 4.81 -0.37 4.42 1.02 0.50 0.17 118.68 130.53 1k2n s LEU 580 Ca -0.02 -1.16 0.01 0.00 0.02 0.00 0.00 54.13 52.98 1k2n s LEU 580 Cb -0.17 -2.00 0.10 0.00 0.02 0.00 0.00 46.19 44.15 1k2n s LEU 580 CO -0.08 -0.43 0.11 -1.59 0.02 0.00 0.00 176.35 174.38 1k2n s LYS 581 N 1.50 1.74 -0.69 1.70 -2.85 0.20 0.23 119.74 121.57 1k2n s LYS 581 Ca 0.02 -1.83 -0.34 0.00 -1.00 0.00 0.00 55.97 52.82 1k2n s LYS 581 Cb -0.20 -3.35 -0.17 0.00 -2.06 0.00 0.00 37.83 32.04 1k2n s LYS 581 CO 0.05 -0.98 2.43 -2.30 0.10 0.00 0.00 175.35 174.66 1k2n n PRO 582 N 4.41 0.34 -1.82 1.78 -0.02 0.17 -2.31 135.00 137.55 1k2n n PRO 582 Ca 0.01 0.05 -0.32 0.00 -2.02 0.00 0.00 63.50 61.22 1k2n n PRO 582 Cb 0.42 -1.95 0.03 0.00 -0.02 0.00 0.00 33.50 31.98 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 8.42 3.32 0.48 2.45 2.34 -0.90 -1.57 118.68 133.23 1k2n s LEU 583 Ca 1.22 1.73 0.28 0.00 0.06 0.00 0.00 54.13 57.42 1k2n s LEU 583 Cb -1.09 -4.52 1.35 0.00 -0.56 0.00 0.00 46.19 41.37 1k2n s LEU 583 CO 0.50 -1.31 1.81 -0.65 -1.06 0.00 0.00 176.35 175.64 1k2n h PRO 584 N -0.11 0.16 0.00 1.48 0.11 -1.89 0.56 132.00 132.31 1k2n h PRO 584 Ca -0.45 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 1k2n h PRO 584 Cb 1.22 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1k2n h PRO 584 CO 0.57 0.11 -0.03 -0.44 -0.21 0.00 0.00 178.00 177.99 1k2n h ASP 585 N 0.16 0.00 -2.93 -2.05 5.19 -1.92 -3.43 116.42 111.45 1k2n h ASP 585 Ca 0.54 0.00 -0.55 0.00 -0.62 0.00 0.00 57.03 56.41 1k2n h ASP 585 Cb 1.83 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 41.31 1k2n h ASP 585 CO -0.12 0.03 -0.33 -0.94 -3.12 0.00 0.00 179.24 174.77 1k2n s SER 586 N -5.64 6.41 0.59 6.45 1.04 0.20 -4.93 113.70 117.81 1k2n s SER 586 Ca -0.03 0.45 0.25 0.00 0.48 0.00 0.00 55.95 57.10 1k2n s SER 586 Cb 0.12 -2.03 1.36 0.00 0.10 0.00 0.00 66.02 65.57 1k2n s SER 586 CO 0.50 -0.02 1.75 -0.29 0.98 0.00 0.00 173.24 176.15 1k2n h ILE 587 N 1.65 0.00 -3.43 -1.02 2.10 0.32 -3.37 117.51 113.76 1k2n h ILE 587 Ca -0.47 0.00 -0.66 0.00 1.08 0.00 0.00 64.86 64.81 1k2n h ILE 587 Cb 1.18 0.56 -0.27 0.00 -1.09 0.00 0.00 36.82 37.20 1k2n h ILE 587 CO 0.69 0.00 -0.71 -0.63 -1.08 0.00 0.00 178.15 176.42 1k2n s ILE 588 N -3.93 3.48 -0.76 2.19 1.01 -1.26 -5.02 121.20 116.92 1k2n s ILE 588 Ca -0.03 -0.47 0.02 0.00 0.00 0.00 0.00 60.65 60.17 1k2n s ILE 588 Cb 0.07 -2.60 0.34 0.00 0.01 0.00 0.00 42.46 40.29 1k2n s ILE 588 CO 0.23 0.40 1.41 0.00 0.00 0.00 0.00 174.94 176.98 1k2n n GLN 589 N 4.81 4.04 -4.54 2.79 1.13 -1.24 -3.31 117.38 121.05 1k2n n GLN 589 Ca -0.18 -4.60 -0.25 0.00 -1.94 0.00 0.00 57.00 50.03 1k2n n GLN 589 Cb 0.51 -2.33 -0.10 0.00 0.11 0.00 0.00 30.24 28.43 1k2n n GLN 589 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1k2n s GLU 590 N -3.87 1.84 -0.08 -1.09 2.02 -0.61 -4.94 118.70 111.97 1k2n s GLU 590 Ca 0.45 -2.06 0.02 0.00 0.02 0.00 0.00 54.97 53.40 1k2n s GLU 590 Cb 0.28 -1.13 0.01 0.00 0.10 0.00 0.00 34.13 33.39 1k2n s GLU 590 CO -0.17 -0.21 -0.15 -1.54 0.02 0.00 0.00 175.26 173.21 1k2n s SER 591 N -3.61 2.17 -0.06 -0.19 1.04 -1.26 0.43 113.70 112.21 1k2n s SER 591 Ca 0.31 -0.37 0.02 0.00 0.48 0.00 0.00 55.95 56.39 1k2n s SER 591 Cb 0.07 -0.98 -0.03 0.00 0.10 0.00 0.00 66.02 65.18 1k2n s SER 591 CO 0.15 0.04 -0.12 -0.76 0.98 0.00 0.00 173.24 173.53 1k2n s LEU 592 N 0.75 2.85 -0.19 2.42 1.43 0.63 -4.92 118.68 121.65 1k2n s LEU 592 Ca -0.12 -0.16 0.01 0.00 -1.03 0.00 0.00 54.13 52.82 1k2n s LEU 592 Cb -0.16 -1.60 0.04 0.00 0.03 0.00 0.00 46.19 44.50 1k2n s LEU 592 CO 0.03 0.33 -0.12 -1.61 0.23 0.00 0.00 176.35 175.21 1k2n s GLU 593 N -0.62 2.14 -0.49 1.70 8.01 -1.26 0.19 118.70 128.37 1k2n s GLU 593 Ca 0.09 -0.81 -0.29 0.00 0.01 0.00 0.00 54.97 53.98 1k2n s GLU 593 Cb -0.11 -2.38 0.03 0.00 -4.31 0.00 0.00 34.13 27.35 1k2n s GLU 593 CO 0.01 -0.38 1.13 0.42 0.01 0.00 0.00 175.26 176.45 1k2n s ILE 594 N 1.40 4.21 -0.23 -1.63 1.01 0.31 -4.97 121.20 121.29 1k2n s ILE 594 Ca -0.00 1.17 -0.29 0.00 0.00 0.00 0.00 60.65 61.53 1k2n s ILE 594 Cb -0.16 -4.61 -0.03 0.00 0.01 0.00 0.00 42.46 37.67 1k2n s ILE 594 CO -0.09 -1.03 1.80 -1.10 0.00 0.00 0.00 174.94 174.52 1k2n s GLN 595 N 4.46 3.58 0.54 2.79 1.11 -1.26 -2.21 119.66 128.66 1k2n s GLN 595 Ca 0.47 1.74 0.41 0.00 0.01 0.00 0.00 55.36 57.99 1k2n s GLN 595 Cb -0.07 -4.15 1.60 0.00 -1.01 0.00 0.00 33.01 29.38 1k2n s GLN 595 CO 0.31 -1.57 1.70 -0.56 0.01 0.00 0.00 175.29 175.19 1k2n h GLN 596 N 12.07 0.02 0.00 2.91 -0.00 -0.76 1.14 115.11 130.49 1k2n h GLN 596 Ca -0.36 -0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.27 1k2n h GLN 596 Cb 1.18 -0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.65 1k2n h GLN 596 CO 1.00 0.01 -0.08 0.78 -0.00 0.00 0.00 178.83 180.54 1k2n h GLY 597 N 0.02 0.00 -7.77 0.06 0.00 -1.88 -3.41 103.07 90.09 1k2n h GLY 597 Ca 0.73 0.00 -0.64 0.00 0.00 0.00 0.00 47.33 47.41 1k2n h GLY 597 CO -0.05 0.00 -0.54 0.14 0.00 0.00 0.00 176.54 176.09 1k2n s VAL 598 N -3.99 5.10 -0.04 4.60 1.01 0.39 -5.06 120.40 122.40 1k2n s VAL 598 Ca -0.02 0.07 -0.01 0.00 0.00 0.00 0.00 61.98 62.01 1k2n s VAL 598 Cb 0.12 -3.44 0.03 0.00 0.00 0.00 0.00 36.38 33.09 1k2n s VAL 598 CO 0.55 0.25 0.03 0.21 0.00 0.00 0.00 175.10 176.14 1k2n s ASN 599 N 1.73 1.00 0.43 3.32 2.47 -1.26 -4.00 114.94 118.63 1k2n s ASN 599 Ca 0.07 0.02 -0.03 0.00 0.42 0.00 0.00 52.86 53.34 1k2n s ASN 599 Cb -0.16 -0.21 -0.03 0.00 -1.45 0.00 0.00 41.25 39.40 1k2n s ASN 599 CO 0.09 -0.20 0.69 -2.16 -3.72 0.00 0.00 177.10 171.81 1k2n s PRO 600 N 1.82 3.47 -0.34 0.43 0.04 -1.26 -5.03 135.00 134.13 1k2n s PRO 600 Ca 0.01 -0.06 -0.20 0.00 0.04 0.00 0.00 61.00 60.79 1k2n s PRO 600 Cb -0.12 -2.49 -0.00 0.00 0.04 0.00 0.00 34.50 31.92 1k2n s PRO 600 CO -0.03 -0.09 0.59 0.12 0.04 0.00 0.00 177.00 177.63 1k2n s PHE 601 N -2.58 3.18 -0.01 0.56 5.36 0.33 -4.90 117.98 119.93 1k2n s PHE 601 Ca 0.45 0.37 -0.16 0.00 -0.96 0.00 0.00 56.93 56.63 1k2n s PHE 601 Cb -0.10 -3.02 -0.06 0.00 -0.34 0.00 0.00 43.02 39.50 1k2n s PHE 601 CO 0.41 -0.55 0.45 -0.06 -1.46 0.00 0.00 175.22 174.01 1k2n s PHE 602 N 2.58 3.71 0.04 10.12 0.08 -1.26 0.12 117.98 133.36 1k2n s PHE 602 Ca 0.23 1.02 0.06 0.00 0.12 0.00 0.00 56.93 58.36 1k2n s PHE 602 Cb -0.15 -2.37 -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 0.00 175.22 176.05 1k2n s ILE 603 N -0.80 1.41 -5.00 0.64 1.09 0.11 0.14 121.20 118.79 1k2n s ILE 603 Ca 0.25 -1.12 0.00 0.00 -1.10 0.00 0.00 60.65 58.68 1k2n s ILE 603 Cb -0.17 -1.25 0.00 0.00 -1.06 0.00 0.00 42.46 39.98 1k2n s ILE 603 CO 0.14 0.10 0.00 0.61 -0.10 0.00 0.00 174.94 175.69 1k2n n GLY 604 N 1.85 -2.34 0.18 6.18 0.00 -1.13 -2.66 105.19 107.26 1k2n n GLY 604 Ca -0.18 -1.37 -0.14 0.00 0.00 0.00 0.00 46.02 44.33 1k2n n GLY 604 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1k2n h ARG 605 N 0.61 -0.35 -6.44 1.61 3.08 0.28 1.00 114.38 114.16 1k2n h ARG 605 Ca 0.00 0.02 -0.53 0.00 0.07 0.00 0.00 59.98 59.55 1k2n h ARG 605 Cb 0.00 0.08 0.03 0.00 0.08 0.00 0.00 29.97 30.16 1k2n h ARG 605 CO 0.00 -0.23 1.16 -1.12 -1.07 0.00 0.00 179.97 178.71 1k2n s SER 606 N -4.88 6.44 0.65 7.04 0.01 -0.90 -4.56 113.70 117.51 1k2n s SER 606 Ca -0.15 2.71 0.27 0.00 1.31 0.00 0.00 55.95 60.09 1k2n s SER 606 Cb 0.05 -2.55 1.44 0.00 0.21 0.00 0.00 66.02 65.17 1k2n s SER 606 CO 0.65 -1.02 1.82 1.05 0.41 0.00 0.00 173.24 176.14 1k2n h GLU 607 N 9.47 0.00 -0.82 12.44 -0.00 -1.89 0.10 114.58 133.89 1k2n h GLU 607 Ca -0.47 0.00 0.23 0.00 -0.00 0.00 0.00 59.36 59.12 1k2n h GLU 607 Cb 1.23 0.00 -0.04 0.00 -0.00 0.00 0.00 28.75 29.94 1k2n h GLU 607 CO 0.94 0.00 0.58 0.22 -0.00 0.00 0.00 179.01 180.76 1k2n h ASP 608 N 0.00 0.04 -3.15 3.06 1.82 -1.91 -3.40 116.42 112.89 1k2n h ASP 608 Ca 0.04 0.00 -0.54 0.00 -0.39 0.00 0.00 57.03 56.15 1k2n h ASP 608 Cb 0.91 -0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.92 1k2n h ASP 608 CO -0.00 0.02 0.60 0.00 -1.61 0.00 0.00 179.24 178.25 1k2n h ASN 610 N 6.91 0.00 -3.50 0.00 2.35 -0.18 -3.37 115.58 117.79 1k2n h ASN 610 Ca -0.41 0.00 -0.67 0.00 -0.55 0.00 0.00 56.30 54.67 1k2n h ASN 610 Cb 1.21 0.00 -0.16 0.00 0.05 0.00 0.00 38.32 39.42 1k2n h ASN 610 CO 0.83 0.00 -0.67 0.00 -1.65 0.00 0.00 177.43 175.94 1k2n s LYS 612 N -1.26 2.47 -0.19 0.00 1.02 -1.26 -2.85 119.74 117.67 1k2n s LYS 612 Ca 0.16 -1.38 -0.04 0.00 0.02 0.00 0.00 55.97 54.73 1k2n s LYS 612 Cb -0.11 -3.51 0.06 0.00 -0.52 0.00 0.00 37.83 33.75 1k2n s LYS 612 CO 0.06 -0.80 0.08 0.42 -0.92 0.00 0.00 175.35 174.19 1k2n s ILE 613 N 1.33 0.12 -0.39 2.17 -1.09 0.34 -4.92 121.20 118.77 1k2n s ILE 613 Ca 0.01 -0.36 -0.09 0.00 -2.23 0.00 0.00 60.65 57.98 1k2n s ILE 613 Cb -0.21 -0.77 0.06 0.00 -1.58 0.00 0.00 42.46 39.96 1k2n s ILE 613 CO 0.01 -0.30 0.21 -0.70 -1.23 0.00 0.00 174.94 172.92 1k2n s GLU 614 N 2.04 2.64 -0.24 2.79 2.12 -1.26 0.12 118.70 126.91 1k2n s GLU 614 Ca 0.02 -1.32 -0.00 0.00 0.36 0.00 0.00 54.97 54.03 1k2n s GLU 614 Cb -0.16 -3.68 0.07 0.00 0.26 0.00 0.00 34.13 30.61 1k2n s GLU 614 CO -0.11 -0.83 0.01 0.34 -0.54 0.00 0.00 175.26 174.12 1k2n s ASP 615 N 1.81 3.67 0.53 -1.70 2.15 -1.26 -4.98 116.67 116.88 1k2n s ASP 615 Ca 0.02 -1.22 0.44 0.00 0.43 0.00 0.00 52.55 52.22 1k2n s ASP 615 Cb -0.21 -0.98 1.65 0.00 -0.30 0.00 0.00 42.92 43.08 1k2n s ASP 615 CO 0.03 -0.30 1.62 -0.55 -0.17 0.00 0.00 175.17 175.80 1k2n h ASN 616 N 8.04 0.05 0.24 -0.34 -1.07 -1.97 1.00 115.58 121.53 1k2n h ASN 616 Ca -0.16 0.03 -0.27 0.00 0.07 0.00 0.00 56.30 55.97 1k2n h ASN 616 Cb 1.07 0.03 0.02 0.00 -2.07 0.00 0.00 38.32 37.37 1k2n h ASN 616 CO 0.41 -0.04 -1.15 0.03 0.07 0.00 0.00 177.43 176.75 1k2n h ARG 617 N 0.01 0.53 -6.42 4.14 3.08 -2.02 -3.45 114.38 110.25 1k2n h ARG 617 Ca 0.86 -0.68 -0.54 0.00 0.07 0.00 0.00 59.98 59.69 1k2n h ARG 617 Cb 3.31 0.22 -0.03 0.00 0.08 0.00 0.00 29.97 33.55 1k2n h ARG 617 CO -0.09 1.28 -0.06 -1.17 -1.07 0.00 0.00 179.97 178.86 1k2n s LEU 618 N -7.76 4.25 0.94 3.04 0.20 0.35 -4.59 118.68 115.11 1k2n s LEU 618 Ca -0.08 1.07 -0.11 0.00 0.69 0.00 0.00 54.13 55.70 1k2n s LEU 618 Cb 0.07 -3.53 0.16 0.00 -0.43 0.00 0.00 46.19 42.46 1k2n s LEU 618 CO 0.91 0.00 1.10 -0.55 -0.29 0.00 0.00 176.35 177.53 1k2n s SER 619 N -2.00 2.83 0.49 3.68 0.15 -1.26 -4.46 113.70 113.12 1k2n s SER 619 Ca 0.43 1.89 0.33 0.00 0.70 0.00 0.00 55.95 59.30 1k2n s SER 619 Cb -0.13 -2.44 1.67 0.00 -1.71 0.00 0.00 66.02 63.41 1k2n s SER 619 CO 0.20 -3.11 2.00 0.08 1.20 0.00 0.00 173.24 173.61 1k2n h ARG 620 N -1.87 0.00 -1.63 5.44 -0.00 -1.92 -2.68 114.38 111.72 1k2n h ARG 620 Ca -0.48 0.00 -0.45 0.00 -0.00 0.00 0.00 59.98 59.05 1k2n h ARG 620 Cb 1.28 0.00 -0.40 0.00 -0.00 0.00 0.00 29.97 30.85 1k2n h ARG 620 CO 0.47 0.00 -1.13 0.28 -0.00 0.00 0.00 179.97 179.59 1k2n n VAL 621 N -2.72 0.64 -0.30 0.08 0.31 -1.26 -0.99 118.33 114.09 1k2n n VAL 621 Ca -0.01 -4.13 0.13 0.00 -0.01 0.00 0.00 64.34 60.32 1k2n n VAL 621 Cb 0.12 -0.06 0.30 0.00 -0.91 0.00 0.00 33.84 33.29 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 2.98 0.59 -2.47 3.52 2.76 -1.24 -3.36 115.15 117.92 1k2n h HIS 622 Ca 0.04 0.04 0.05 0.00 -2.20 0.00 0.00 60.37 58.30 1k2n h HIS 622 Cb 1.01 -0.12 -0.15 0.00 1.55 0.00 0.00 27.41 29.70 1k2n h HIS 622 CO 0.52 -0.07 0.38 0.00 -1.30 0.00 0.00 177.93 177.46 1k2n s PHE 624 N -3.08 -0.00 -0.20 0.00 -0.12 0.30 0.08 117.98 114.95 1k2n s PHE 624 Ca 0.02 0.01 -0.09 0.00 -0.05 0.00 0.00 56.93 56.82 1k2n s PHE 624 Cb -0.01 -0.03 -0.04 0.00 -0.63 0.00 0.00 43.02 42.31 1k2n s PHE 624 CO -0.08 -0.19 0.10 0.42 -0.05 0.00 0.00 175.22 175.41 1k2n s ILE 625 N -0.83 5.03 -0.07 -4.49 1.01 0.32 0.20 121.20 122.38 1k2n s ILE 625 Ca -0.09 0.06 0.06 0.00 0.00 0.00 0.00 60.65 60.67 1k2n s ILE 625 Cb -0.05 -3.29 -0.01 0.00 0.01 0.00 0.00 42.46 39.11 1k2n s ILE 625 CO 0.01 0.43 -0.24 0.12 0.00 0.00 0.00 174.94 175.26 1k2n s PHE 626 N 0.54 2.48 -0.14 3.97 5.36 0.55 0.12 117.98 130.87 1k2n s PHE 626 Ca 0.05 -0.73 -0.12 0.00 -0.96 0.00 0.00 56.93 55.17 1k2n s PHE 626 Cb -0.12 -1.62 -0.05 0.00 -0.34 0.00 0.00 43.02 40.89 1k2n s PHE 626 CO 0.00 -0.22 0.24 0.21 -1.46 0.00 0.00 175.22 173.99 1k2n s LYS 627 N -0.11 4.01 0.08 10.12 2.20 -1.26 0.22 119.74 135.00 1k2n s LYS 627 Ca -0.05 0.02 0.01 0.00 -0.36 0.00 0.00 55.97 55.59 1k2n s LYS 627 Cb -0.14 -3.34 -0.04 0.00 -1.51 0.00 0.00 37.83 32.80 1k2n s LYS 627 CO 0.04 0.43 -0.06 0.21 -0.36 0.00 0.00 175.35 175.62 1k2n s LYS 628 N -0.10 0.74 -0.38 4.03 2.36 0.24 -4.92 119.74 121.70 1k2n s LYS 628 Ca 0.15 -1.25 -0.29 0.00 -2.55 0.00 0.00 55.97 52.04 1k2n s LYS 628 Cb -0.13 -0.08 0.01 0.00 -1.05 0.00 0.00 37.83 36.58 1k2n s LYS 628 CO 0.04 -0.04 1.27 0.50 1.55 0.00 0.00 175.35 178.67 1k2n s ARG 629 N -3.66 3.78 0.12 4.03 6.06 -1.26 0.14 118.95 128.17 1k2n s ARG 629 Ca 0.08 0.96 -0.31 0.00 -2.50 0.00 0.00 55.73 53.97 1k2n s ARG 629 Cb 0.05 -3.92 -0.07 0.00 0.06 0.00 0.00 34.95 31.07 1k2n s ARG 629 CO -0.06 -1.30 1.30 -1.58 -2.50 0.00 0.00 175.30 171.16 1k2n s HIS 630 N 4.64 3.32 -0.13 5.12 5.65 0.62 -4.89 115.29 129.63 1k2n s HIS 630 Ca 0.54 1.14 -0.09 0.00 0.25 0.00 0.00 55.06 56.91 1k2n s HIS 630 Cb -0.13 -3.57 0.04 0.00 -1.18 0.00 0.00 32.58 27.75 1k2n s HIS 630 CO 0.27 -1.86 0.33 0.00 -0.65 0.00 0.00 174.74 172.83 1k2n s ALA 631 N 0.84 -0.81 0.24 1.58 0.00 -1.26 -2.32 121.76 120.03 1k2n s ALA 631 Ca 0.61 1.15 0.07 0.00 0.00 0.00 0.00 51.96 53.78 1k2n s ALA 631 Cb -0.34 -0.69 -0.04 0.00 0.00 0.00 0.00 23.12 22.05 1k2n s ALA 631 CO 0.32 -0.20 0.14 0.54 0.00 0.00 0.00 175.76 176.55 1k2n s VAL 632 N 0.89 4.22 -0.25 0.00 0.11 -1.26 -5.11 120.40 119.00 1k2n s VAL 632 Ca -0.06 -1.46 -0.10 0.00 -2.93 0.00 0.00 61.98 57.42 1k2n s VAL 632 Cb -0.07 -3.25 -0.05 0.00 -1.53 0.00 0.00 36.38 31.48 1k2n s VAL 632 CO -0.07 -0.31 0.16 -0.83 -3.33 0.00 0.00 175.10 170.72 1k2n s GLY 633 N -3.67 1.95 0.22 6.54 0.00 -1.26 -4.88 107.32 106.22 1k2n s GLY 633 Ca 0.32 -0.96 0.00 0.00 0.00 0.00 0.00 44.72 44.08 1k2n s GLY 633 CO 0.23 0.47 0.00 1.17 0.00 0.00 0.00 173.10 174.98 1k2n n LYS 634 N 4.55 -4.19 -2.77 2.90 3.00 -1.26 -5.00 118.16 115.39 1k2n n LYS 634 Ca -0.15 3.06 -0.03 0.00 -0.00 0.00 0.00 58.31 61.19 1k2n n LYS 634 Cb 0.52 -3.25 0.06 0.00 0.00 0.00 0.00 35.03 32.37 1k2n n LYS 634 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1k2n n SER 635 N 0.97 0.80 -4.74 3.14 7.64 -1.26 -5.09 113.62 115.07 1k2n n SER 635 Ca 0.00 -2.22 -0.42 0.00 1.01 0.00 0.00 58.87 57.24 1k2n n SER 635 Cb 0.00 -0.19 -0.02 0.00 -1.01 0.00 0.00 64.21 62.99 1k2n n SER 635 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1k2n n MET 636 N -0.66 2.67 0.00 1.43 2.81 -1.26 -3.56 117.12 118.55 1k2n n MET 636 Ca 0.02 0.95 0.00 0.00 -1.81 0.00 0.00 57.70 56.87 1k2n n MET 636 Cb 0.82 -2.73 0.00 0.00 -0.71 0.00 0.00 33.22 30.60 1k2n n MET 636 CO 0.00 0.00 0.00 0.98 1.51 0.00 0.00 175.97 178.46 1k2n n TYR 637 N 2.33 0.00 -2.57 2.03 4.19 -1.26 -4.86 117.16 117.02 1k2n n TYR 637 Ca 0.10 0.00 -0.42 0.00 3.31 0.00 0.00 57.90 60.89 1k2n n TYR 637 Cb 0.36 0.00 -0.03 0.00 0.49 0.00 0.00 39.34 40.16 1k2n n TYR 637 CO 0.00 0.00 0.00 -2.00 0.91 0.00 0.00 176.86 175.77 1k2n s GLU 638 N 0.00 4.53 -0.71 2.98 2.12 -1.23 -5.00 118.70 121.38 1k2n s GLU 638 Ca 0.00 1.61 -0.08 0.00 0.36 0.00 0.00 54.97 56.85 1k2n s GLU 638 Cb 0.00 -3.38 0.19 0.00 0.26 0.00 0.00 34.13 31.20 1k2n s GLU 638 CO 0.00 -0.08 0.59 -1.12 -0.54 0.00 0.00 175.26 174.11 1k2n s SER 639 N 0.73 5.95 0.46 -1.70 0.01 -1.26 -4.70 113.70 113.19 1k2n s SER 639 Ca 0.54 -2.74 0.00 0.00 1.31 0.00 0.00 55.95 55.06 1k2n s SER 639 Cb -0.26 -2.02 0.00 0.00 0.21 0.00 0.00 66.02 63.95 1k2n s SER 639 CO 0.30 -0.48 0.00 -0.81 0.41 0.00 0.00 173.24 172.66 1k2n n PRO 640 N 3.77 0.23 -0.29 12.44 -0.04 -1.26 -4.82 135.00 145.02 1k2n n PRO 640 Ca 0.10 0.00 0.34 0.00 -0.04 0.00 0.00 63.50 63.90 1k2n n PRO 640 Cb 0.42 0.00 0.72 0.00 -0.04 0.00 0.00 33.50 34.60 1k2n n PRO 640 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1k2n h ALA 641 N -2.00 3.05 0.00 0.55 0.00 -1.98 -3.45 119.26 115.43 1k2n h ALA 641 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1k2n h ALA 641 Cb 0.00 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1k2n h ALA 641 CO 0.00 -1.50 0.00 1.04 0.00 0.00 0.00 179.25 178.79 1k2n n GLN 642 N -3.96 0.00 -2.96 0.00 6.02 -1.26 -4.57 117.38 110.65 1k2n n GLN 642 Ca 0.25 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.28 1k2n n GLN 642 Cb 1.29 0.00 0.00 0.00 1.02 0.00 0.00 30.24 32.55 1k2n n GLN 642 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1k2n s GLY 643 N 0.00 -1.18 0.00 1.08 0.00 -1.26 -4.42 107.32 101.54 1k2n s GLY 643 Ca 0.00 1.93 0.00 0.00 0.00 0.00 0.00 44.72 46.65 1k2n s GLY 643 CO 0.00 4.28 0.00 1.04 0.00 0.00 0.00 173.10 178.42 1k2n n LEU 644 N 4.42 0.00 -4.52 0.66 4.32 -0.98 -4.92 117.00 115.98 1k2n n LEU 644 Ca 0.08 0.00 -0.31 0.00 -0.02 0.00 0.00 56.01 55.76 1k2n n LEU 644 Cb 0.61 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 42.30 1k2n n LEU 644 CO -0.16 0.00 -0.45 1.51 -1.22 0.00 0.00 177.39 177.07 1k2n s ASP 645 N 1.00 4.12 0.08 -1.43 1.47 -1.25 0.23 116.67 120.88 1k2n s ASP 645 Ca 0.00 -0.37 0.01 0.00 1.18 0.00 0.00 52.55 53.38 1k2n s ASP 645 Cb 0.00 -0.76 -0.04 0.00 -0.34 0.00 0.00 42.92 41.78 1k2n s ASP 645 CO 0.00 0.24 -0.06 -1.81 0.68 0.00 0.00 175.17 174.22 1k2n s ASP 646 N -1.67 0.96 -0.28 2.11 1.01 0.38 -3.16 116.67 116.02 1k2n s ASP 646 Ca 0.17 -0.90 -0.09 0.00 0.71 0.00 0.00 52.55 52.44 1k2n s ASP 646 Cb -0.11 0.10 -0.03 0.00 1.01 0.00 0.00 42.92 43.89 1k2n s ASP 646 CO 0.08 -0.43 0.13 0.27 0.21 0.00 0.00 175.17 175.43 1k2n s ILE 647 N -3.14 4.69 -0.21 0.77 -4.36 -1.26 0.83 121.20 118.51 1k2n s ILE 647 Ca 0.06 -0.14 -0.10 0.00 -0.26 0.00 0.00 60.65 60.21 1k2n s ILE 647 Cb 0.02 -3.26 -0.05 0.00 1.25 0.00 0.00 42.46 40.42 1k2n s ILE 647 CO -0.04 0.23 0.13 0.26 0.24 0.00 0.00 174.94 175.76 1k2n s TRP 648 N 1.66 3.35 -0.32 1.37 0.52 0.61 -0.09 118.94 126.04 1k2n s TRP 648 Ca 0.06 0.25 -0.20 0.00 0.02 0.00 0.00 56.10 56.23 1k2n s TRP 648 Cb -0.16 -2.19 -0.01 0.00 -1.15 0.00 0.00 33.47 29.96 1k2n s TRP 648 CO 0.07 0.18 0.64 -0.47 0.02 0.00 0.00 176.95 177.39 1k2n s TYR 649 N 0.64 3.20 -0.07 -1.98 6.14 0.41 0.21 117.35 125.90 1k2n s TYR 649 Ca 0.07 0.54 -0.03 0.00 0.64 0.00 0.00 57.07 58.29 1k2n s TYR 649 Cb -0.12 -3.04 -0.04 0.00 0.42 0.00 0.00 41.96 39.18 1k2n s TYR 649 CO 0.01 -0.52 0.08 0.00 0.64 0.00 0.00 175.55 175.76 1k2n s HIS 651 N -1.06 2.35 0.00 0.00 2.46 0.31 0.11 115.29 119.46 1k2n s HIS 651 Ca 0.18 -0.81 0.00 0.00 0.47 0.00 0.00 55.06 54.90 1k2n s HIS 651 Cb -0.12 -1.56 0.00 0.00 -0.13 0.00 0.00 32.58 30.77 1k2n s HIS 651 CO 0.08 -0.29 0.71 0.25 -2.47 0.00 0.00 174.74 173.02 1k2n n THR 652 N 3.23 0.43 -2.84 0.89 -2.24 0.11 0.42 114.28 114.28 1k2n n THR 652 Ca -0.18 -0.43 -0.32 0.00 -2.27 0.00 0.00 64.05 60.84 1k2n n THR 652 Cb 0.52 0.80 -0.06 0.00 -2.10 0.00 0.00 70.33 69.49 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 -0.43 2.28 0.14 3.38 0.00 0.41 -4.79 107.32 108.32 1k2n s GLY 653 Ca 0.00 0.21 -0.00 0.00 0.00 0.00 0.00 44.72 44.93 1k2n s GLY 653 CO 0.00 0.46 1.33 0.00 0.00 0.00 0.00 173.10 174.90 1k2n h THR 654 N 1.69 1.47 0.00 0.90 1.03 -1.91 -3.15 112.91 112.94 1k2n h THR 654 Ca -0.48 -2.61 0.00 0.00 -0.01 0.00 0.00 66.41 63.31 1k2n h THR 654 Cb 1.18 2.49 0.00 0.00 -1.07 0.00 0.00 68.15 70.75 1k2n h THR 654 CO 0.63 0.77 0.00 0.59 -0.01 0.00 0.00 175.52 177.49 1k2n n ASN 655 N -3.67 0.00 -1.39 0.00 3.02 -1.26 -4.95 115.26 107.01 1k2n n ASN 655 Ca -0.05 -0.91 0.00 0.00 -0.03 0.00 0.00 54.58 53.59 1k2n n ASN 655 Cb 0.84 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.01 1k2n n ASN 655 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 1k2n n VAL 656 N -0.85 -2.76 -4.10 2.41 3.14 -1.19 -4.82 118.33 110.16 1k2n n VAL 656 Ca 0.11 1.28 -0.23 0.00 -2.96 0.00 0.00 64.34 62.54 1k2n n VAL 656 Cb 0.05 -1.82 -0.07 0.00 -1.06 0.00 0.00 33.84 30.95 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 -3.63 4.59 -0.11 6.55 1.04 -1.09 -4.57 113.70 116.47 1k2n s SER 657 Ca 0.00 -0.86 -0.00 0.00 0.48 0.00 0.00 55.95 55.56 1k2n s SER 657 Cb 0.00 -0.64 0.02 0.00 0.10 0.00 0.00 66.02 65.50 1k2n s SER 657 CO 0.00 -0.36 -0.08 -0.31 0.98 0.00 0.00 173.24 173.47 1k2n s TYR 658 N -2.48 1.50 -0.50 5.02 2.02 0.30 -1.31 117.35 121.90 1k2n s TYR 658 Ca 0.39 -0.75 -0.12 0.00 -0.37 0.00 0.00 57.07 56.22 1k2n s TYR 658 Cb -0.01 -1.24 0.12 0.00 -0.40 0.00 0.00 41.96 40.44 1k2n s TYR 658 CO 0.23 -0.51 0.41 -1.17 -1.57 0.00 0.00 175.55 172.94 1k2n s LEU 659 N 1.67 5.91 0.00 -1.29 2.96 -0.57 0.18 118.68 127.54 1k2n s LEU 659 Ca 0.04 -1.87 0.00 0.00 -0.22 0.00 0.00 54.13 52.08 1k2n s LEU 659 Cb -0.13 -2.09 0.00 0.00 0.50 0.00 0.00 46.19 44.47 1k2n s LEU 659 CO -0.08 -0.76 0.00 -3.20 -1.32 0.00 0.00 176.35 170.99 1k2n n ASN 660 N 5.04 0.00 0.00 3.68 2.85 -1.03 -1.02 115.26 124.78 1k2n n ASN 660 Ca -0.10 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.37 1k2n n ASN 660 Cb 0.40 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.42 1k2n n ASN 660 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1k2n n ASN 661 N 0.98 0.00 -4.79 1.20 4.13 -1.26 -5.08 115.26 110.44 1k2n n ASN 661 Ca 0.00 -0.93 -0.35 0.00 1.68 0.00 0.00 54.58 54.98 1k2n n ASN 661 Cb 0.00 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.17 1k2n n ASN 661 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 1k2n s ASN 662 N 0.00 5.80 0.28 6.41 3.84 -0.19 -5.09 114.94 125.99 1k2n s ASN 662 Ca 0.00 0.28 -0.28 0.00 0.21 0.00 0.00 52.86 53.06 1k2n s ASN 662 Cb 0.00 -1.75 -0.09 0.00 -0.55 0.00 0.00 41.25 38.86 1k2n s ASN 662 CO 0.00 0.37 0.95 -0.60 -2.79 0.00 0.00 177.10 175.03 1k2n s ARG 663 N -1.15 4.72 -0.40 0.43 3.52 -1.26 -1.51 118.95 123.30 1k2n s ARG 663 Ca 0.16 1.44 0.02 0.00 -0.13 0.00 0.00 55.73 57.22 1k2n s ARG 663 Cb -0.12 -3.06 0.11 0.00 -1.56 0.00 0.00 34.95 30.33 1k2n s ARG 663 CO 0.06 0.39 0.14 -1.64 -0.81 0.00 0.00 175.30 173.44 1k2n s MET 664 N -1.59 1.74 0.24 5.12 -1.94 -0.43 -4.92 119.30 117.51 1k2n s MET 664 Ca 0.45 -2.02 -0.16 0.00 -1.71 0.00 0.00 55.69 52.25 1k2n s MET 664 Cb -0.23 -3.34 -0.08 0.00 2.01 0.00 0.00 34.83 33.19 1k2n s MET 664 CO 0.29 -1.01 0.67 0.96 -0.01 0.00 0.00 175.02 175.91 1k2n s ILE 665 N 0.71 4.71 -0.88 2.53 -4.36 -1.26 -2.66 121.20 119.99 1k2n s ILE 665 Ca 0.12 0.97 -0.27 0.00 -0.26 0.00 0.00 60.65 61.21 1k2n s ILE 665 Cb -0.21 -3.72 -0.20 0.00 1.25 0.00 0.00 42.46 39.58 1k2n s ILE 665 CO -0.06 0.06 2.57 1.67 0.24 0.00 0.00 174.94 179.42 1k2n n GLN 666 N 0.30 0.25 0.00 0.37 7.27 -1.26 -1.66 117.38 122.66 1k2n n GLN 666 Ca -0.01 -0.04 0.00 0.00 0.07 0.00 0.00 57.00 57.03 1k2n n GLN 666 Cb 0.52 -1.96 0.00 0.00 2.41 0.00 0.00 30.24 31.21 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 6.29 1.21 3.10 1.69 0.00 0.17 -4.93 105.19 112.71 1k2n n GLY 667 Ca 0.59 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.48 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 0.61 0.21 2.61 -4.23 -0.66 0.11 115.64 112.30 1k2n s THR 668 Ca 0.00 -1.32 0.09 0.00 -1.18 0.00 0.00 61.69 59.29 1k2n s THR 668 Cb 0.00 -0.91 -0.05 0.00 1.34 0.00 0.00 72.50 72.88 1k2n s THR 668 CO 0.00 -0.50 -0.18 -1.59 -0.54 0.00 0.00 174.62 171.81 1k2n s LYS 669 N -2.18 1.43 -0.02 3.99 -2.85 0.24 -0.53 119.74 119.82 1k2n s LYS 669 Ca -0.04 -1.58 -0.03 0.00 -1.00 0.00 0.00 55.97 53.32 1k2n s LYS 669 Cb -0.06 -1.43 0.00 0.00 -2.06 0.00 0.00 37.83 34.28 1k2n s LYS 669 CO -0.01 0.27 0.09 0.12 0.10 0.00 0.00 175.35 175.92 1k2n s PHE 670 N -2.45 -0.04 0.02 1.78 5.36 0.17 -1.11 117.98 121.71 1k2n s PHE 670 Ca 0.22 0.11 -0.30 0.00 -0.96 0.00 0.00 56.93 56.00 1k2n s PHE 670 Cb -0.04 -0.00 -0.06 0.00 -0.34 0.00 0.00 43.02 42.58 1k2n s PHE 670 CO 0.09 -0.10 1.43 -1.17 -1.46 0.00 0.00 175.22 174.02 1k2n s LEU 671 N -0.32 4.33 -0.14 6.12 1.98 -1.26 0.16 118.68 129.54 1k2n s LEU 671 Ca -0.04 2.18 -0.07 0.00 -2.89 0.00 0.00 54.13 53.31 1k2n s LEU 671 Cb -0.03 -3.56 -0.04 0.00 0.66 0.00 0.00 46.19 43.22 1k2n s LEU 671 CO 0.00 -0.74 0.11 -0.76 -1.89 0.00 0.00 176.35 173.08 1k2n s LEU 672 N 2.34 4.17 -0.03 -0.68 1.43 0.87 -4.87 118.68 121.90 1k2n s LEU 672 Ca 0.65 0.32 0.05 0.00 -1.03 0.00 0.00 54.13 54.12 1k2n s LEU 672 Cb -0.33 -2.03 -0.01 0.00 0.03 0.00 0.00 46.19 43.85 1k2n s LEU 672 CO 0.27 0.32 -0.20 -1.10 0.23 0.00 0.00 176.35 175.87 1k2n s GLN 673 N -0.48 1.86 -0.49 1.70 -0.21 -1.26 -4.50 119.66 116.28 1k2n s GLN 673 Ca 0.11 -0.71 -0.46 0.00 0.02 0.00 0.00 55.36 54.32 1k2n s GLN 673 Cb -0.12 -1.68 -0.20 0.00 1.00 0.00 0.00 33.01 32.02 1k2n s GLN 673 CO 0.02 0.35 1.65 -0.40 -2.12 0.00 0.00 175.29 174.79 1k2n n ASP 674 N 2.86 1.14 -0.09 5.90 5.68 1.04 -1.56 116.55 131.53 1k2n n ASP 674 Ca -0.17 1.12 0.00 0.00 -0.50 0.00 0.00 54.79 55.24 1k2n n ASP 674 Cb 0.53 -0.87 0.00 0.00 -1.14 0.00 0.00 41.12 39.63 1k2n n ASP 674 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1k2n n GLY 675 N 4.37 1.19 3.57 6.12 0.00 0.55 -4.71 105.19 116.28 1k2n n GLY 675 Ca 0.34 -0.22 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.29 6.28 -0.44 1.61 -1.08 -0.50 -4.77 116.67 115.48 1k2n s ASP 676 Ca 0.00 0.05 -0.18 0.00 -0.52 0.00 0.00 52.55 51.90 1k2n s ASP 676 Cb 0.00 -2.24 0.03 0.00 -1.46 0.00 0.00 42.92 39.26 1k2n s ASP 676 CO 0.00 -0.35 0.47 -1.61 0.52 0.00 0.00 175.17 174.20 1k2n s GLU 677 N 2.21 3.10 -0.16 4.34 8.01 -1.26 0.13 118.70 135.07 1k2n s GLU 677 Ca 0.16 -0.82 -0.04 0.00 0.01 0.00 0.00 54.97 54.27 1k2n s GLU 677 Cb -0.16 -4.01 -0.03 0.00 -4.31 0.00 0.00 34.13 25.63 1k2n s GLU 677 CO 0.12 -0.94 -0.02 0.42 0.01 0.00 0.00 175.26 174.85 1k2n s ILE 678 N 2.20 4.08 -0.33 -1.63 1.01 -0.08 -2.46 121.20 123.99 1k2n s ILE 678 Ca 0.12 -0.29 -0.18 0.00 0.00 0.00 0.00 60.65 60.30 1k2n s ILE 678 Cb -0.18 -2.80 -0.01 0.00 0.01 0.00 0.00 42.46 39.48 1k2n s ILE 678 CO 0.13 0.49 0.50 -0.54 0.00 0.00 0.00 174.94 175.51 1k2n s LYS 679 N 0.33 3.72 0.10 2.79 1.02 0.47 -0.60 119.74 127.55 1k2n s LYS 679 Ca -0.02 -0.09 -0.05 0.00 0.02 0.00 0.00 55.97 55.83 1k2n s LYS 679 Cb -0.14 -3.77 -0.19 0.00 -0.52 0.00 0.00 37.83 33.20 1k2n s LYS 679 CO 0.02 -0.57 1.21 0.97 -0.92 0.00 0.00 175.35 176.07 1k2n h ILE 680 N 5.56 1.44 -2.42 2.17 2.10 -1.78 0.87 117.51 125.45 1k2n h ILE 680 Ca -0.28 -2.73 -0.07 0.00 1.08 0.00 0.00 64.86 62.85 1k2n h ILE 680 Cb 1.13 2.69 -0.24 0.00 -1.09 0.00 0.00 36.82 39.32 1k2n h ILE 680 CO 0.75 0.81 -0.14 -0.51 -1.08 0.00 0.00 178.15 177.98 1k2n s ILE 681 N -2.96 -0.01 -0.06 2.19 2.07 -1.25 -4.20 121.20 116.98 1k2n s ILE 681 Ca -0.05 0.03 -0.01 0.00 -1.41 0.00 0.00 60.65 59.21 1k2n s ILE 681 Cb 0.08 -0.75 0.03 0.00 0.13 0.00 0.00 42.46 41.94 1k2n s ILE 681 CO 0.88 0.01 0.00 0.86 -1.91 0.00 0.00 174.94 174.79 1k2n s TRP 682 N 0.99 0.54 -0.20 3.50 -0.00 -1.24 0.91 118.94 123.44 1k2n s TRP 682 Ca -0.06 -0.09 0.01 0.00 -0.00 0.00 0.00 56.10 55.97 1k2n s TRP 682 Cb -0.06 -0.67 0.03 0.00 -0.00 0.00 0.00 33.47 32.78 1k2n s TRP 682 CO -0.09 -0.25 -0.16 0.34 -0.00 0.00 0.00 176.95 176.79 1k2n s ASP 683 N 1.66 3.43 0.06 5.86 2.15 0.27 -4.95 116.67 125.15 1k2n s ASP 683 Ca -0.00 -0.84 -0.20 0.00 0.43 0.00 0.00 52.55 51.94 1k2n s ASP 683 Cb -0.13 -1.44 -0.12 0.00 -0.30 0.00 0.00 42.92 40.94 1k2n s ASP 683 CO -0.03 -0.07 1.44 0.11 -0.17 0.00 0.00 175.17 176.45 1k2n h LYS 684 N 7.91 0.35 0.00 4.34 1.57 -1.94 0.64 116.57 129.45 1k2n h LYS 684 Ca -0.37 -0.14 -0.25 0.00 -1.87 0.00 0.00 60.65 58.02 1k2n h LYS 684 Cb 1.11 -0.02 0.02 0.00 0.08 0.00 0.00 32.23 33.42 1k2n h LYS 684 CO 0.57 0.62 -0.98 -0.91 -0.57 0.00 0.00 179.45 178.18 1k2n h ASN 685 N 0.06 0.86 0.84 0.86 2.35 -1.98 -3.25 115.58 115.31 1k2n h ASN 685 Ca 0.05 -0.74 0.00 0.00 -0.55 0.00 0.00 56.30 55.05 1k2n h ASN 685 Cb 0.50 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.60 1k2n h ASN 685 CO 0.02 1.49 -0.39 -3.20 -1.65 0.00 0.00 177.43 173.70 1k2n n ASN 686 N -3.91 0.51 -0.76 5.81 4.05 -1.24 -4.92 115.26 114.79 1k2n n ASN 686 Ca -0.11 0.12 -0.10 0.00 0.45 0.00 0.00 54.58 54.94 1k2n n ASN 686 Cb 0.85 -0.05 -0.04 0.00 1.23 0.00 0.00 39.78 41.77 1k2n n ASN 686 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1k2n n LYS 687 N -1.80 -1.43 -2.42 1.20 5.02 0.22 -4.91 118.16 114.05 1k2n n LYS 687 Ca 0.05 0.82 -0.42 0.00 -2.02 0.00 0.00 58.31 56.74 1k2n n LYS 687 Cb 0.38 -5.07 -0.03 0.00 -0.02 0.00 0.00 35.03 30.29 1k2n n LYS 687 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 1k2n s PHE 688 N -2.00 2.32 -0.15 2.13 2.19 -1.02 -4.80 117.98 116.65 1k2n s PHE 688 Ca 0.00 0.45 0.01 0.00 0.33 0.00 0.00 56.93 57.73 1k2n s PHE 688 Cb 0.00 -4.41 0.02 0.00 -1.31 0.00 0.00 43.02 37.31 1k2n s PHE 688 CO 0.00 -1.93 -0.19 0.54 1.83 0.00 0.00 175.22 175.47 1k2n s VAL 689 N 5.91 1.90 0.04 3.12 0.11 -1.26 0.97 120.40 131.20 1k2n s VAL 689 Ca 0.51 -0.86 0.07 0.00 -2.93 0.00 0.00 61.98 58.77 1k2n s VAL 689 Cb -0.10 -1.72 -0.03 0.00 -1.53 0.00 0.00 36.38 33.00 1k2n s VAL 689 CO 0.25 0.52 -0.18 -0.63 -3.33 0.00 0.00 175.10 171.72 1k2n s ILE 690 N 1.12 2.77 -0.29 7.04 1.01 0.26 0.94 121.20 134.05 1k2n s ILE 690 Ca -0.01 -1.20 -0.17 0.00 0.00 0.00 0.00 60.65 59.27 1k2n s ILE 690 Cb -0.14 -2.16 0.15 0.00 0.01 0.00 0.00 42.46 40.32 1k2n s ILE 690 CO -0.07 0.33 1.02 -0.83 0.00 0.00 0.00 174.94 175.39 1k2n s GLY 691 N -1.45 0.06 0.06 6.18 0.00 -1.26 -2.73 107.32 108.19 1k2n s GLY 691 Ca 0.15 3.18 0.06 0.00 0.00 0.00 0.00 44.72 48.11 1k2n s GLY 691 CO 0.05 2.52 -0.13 -1.36 0.00 0.00 0.00 173.10 174.19 1k2n s PHE 692 N 1.17 2.70 -0.31 1.90 0.08 0.23 -2.12 117.98 121.62 1k2n s PHE 692 Ca -0.07 -0.17 -0.11 0.00 0.12 0.00 0.00 56.93 56.69 1k2n s PHE 692 Cb -0.04 -1.48 -0.02 0.00 -0.57 0.00 0.00 43.02 40.91 1k2n s PHE 692 CO -0.14 0.35 0.20 0.21 -0.10 0.00 0.00 175.22 175.75 1k2n s LYS 693 N -1.77 3.59 -0.08 0.44 2.20 -0.98 -0.90 119.74 122.25 1k2n s LYS 693 Ca 0.18 -0.56 -0.28 0.00 -0.36 0.00 0.00 55.97 54.94 1k2n s LYS 693 Cb -0.11 -3.69 -0.02 0.00 -1.51 0.00 0.00 37.83 32.50 1k2n s LYS 693 CO 0.09 -0.35 0.92 0.08 -0.36 0.00 0.00 175.35 175.73 1k2n s VAL 694 N 1.71 4.87 -0.21 4.02 1.01 0.35 -0.63 120.40 131.52 1k2n s VAL 694 Ca 0.06 1.89 -0.03 0.00 0.00 0.00 0.00 61.98 63.90 1k2n s VAL 694 Cb -0.17 -4.24 0.07 0.00 0.00 0.00 0.00 36.38 32.03 1k2n s VAL 694 CO 0.09 0.10 0.04 -1.61 0.00 0.00 0.00 175.10 173.72 1k2n s GLU 695 N 1.52 0.67 -0.51 2.72 0.41 0.45 0.20 118.70 124.16 1k2n s GLU 695 Ca 0.46 -0.50 -0.28 0.00 -0.41 0.00 0.00 54.97 54.24 1k2n s GLU 695 Cb -0.19 -2.08 0.00 0.00 -1.78 0.00 0.00 34.13 30.08 1k2n s GLU 695 CO 0.20 -0.69 1.58 0.42 -0.49 0.00 0.00 175.26 176.28 1k2n s ILE 696 N 1.83 3.65 -0.08 -1.63 1.01 -1.26 -0.48 121.20 124.24 1k2n s ILE 696 Ca 0.00 0.56 -0.23 0.00 0.00 0.00 0.00 60.65 60.99 1k2n s ILE 696 Cb -0.17 -4.16 -0.29 0.00 0.01 0.00 0.00 42.46 37.84 1k2n s ILE 696 CO -0.11 -0.93 0.80 0.78 0.00 0.00 0.00 174.94 175.48 1k2n h ASN 697 N 12.17 0.33 -3.68 3.58 -0.26 -1.26 -3.46 115.58 123.00 1k2n h ASN 697 Ca -0.28 -0.93 -0.68 0.00 -0.56 0.00 0.00 56.30 53.84 1k2n h ASN 697 Cb 1.12 -0.11 -0.19 0.00 -1.06 0.00 0.00 38.32 38.08 1k2n h ASN 697 CO 1.15 1.34 -0.70 -0.62 -1.06 0.00 0.00 177.43 177.53 1k2n s ASP 698 N -6.80 4.61 -0.41 5.81 2.15 -1.17 -5.04 116.67 115.81 1k2n s ASP 698 Ca -0.16 -0.05 -0.01 0.00 0.43 0.00 0.00 52.55 52.75 1k2n s ASP 698 Cb 0.01 -1.13 0.11 0.00 -0.30 0.00 0.00 42.92 41.60 1k2n s ASP 698 CO 0.78 0.35 0.19 0.42 -0.17 0.00 0.00 175.17 176.74 1k2n s THR 699 N -0.84 3.11 -1.56 1.71 -4.23 -1.26 -4.73 115.64 107.84 1k2n s THR 699 Ca 0.13 -2.19 -0.11 0.00 -1.18 0.00 0.00 61.69 58.34 1k2n s THR 699 Cb -0.11 -3.15 -0.06 0.00 1.34 0.00 0.00 72.50 70.52 1k2n s THR 699 CO 0.02 -0.69 2.75 1.07 -0.54 0.00 0.00 174.62 177.23 1k2n n THR 700 N 4.43 4.03 -3.53 3.99 5.66 -1.26 -4.43 114.28 123.18 1k2n n THR 700 Ca -0.00 -2.66 -0.20 0.00 -3.05 0.00 0.00 64.05 58.14 1k2n n THR 700 Cb 0.41 -2.60 0.08 0.00 -1.55 0.00 0.00 70.33 66.67 1k2n n THR 700 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1k2n n GLY 701 N 3.73 -0.42 3.76 1.09 0.00 -1.26 -4.72 105.19 107.38 1k2n n GLY 701 Ca 0.71 0.15 -0.39 0.00 0.00 0.00 0.00 46.02 46.49 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 -6.72 4.11 0.48 0.99 2.01 -1.26 -3.93 118.68 114.36 1k2n s LEU 702 Ca 0.21 2.71 0.37 0.00 0.01 0.00 0.00 54.13 57.42 1k2n s LEU 702 Cb -0.09 -4.00 1.55 0.00 0.01 0.00 0.00 46.19 43.66 1k2n s LEU 702 CO 0.74 -1.05 1.60 2.19 1.01 0.00 0.00 176.35 180.84 1k2n h PHE 703 N 2.34 0.36 0.00 0.29 -0.00 -1.85 -3.26 116.94 114.82 1k2n h PHE 703 Ca -0.50 0.02 0.00 0.00 -0.00 0.00 0.00 57.97 57.49 1k2n h PHE 703 Cb 1.26 -0.08 0.00 0.00 -0.00 0.00 0.00 35.95 37.12 1k2n h PHE 703 CO 0.51 -0.18 -0.09 -1.71 -0.00 0.00 0.00 178.31 176.85 1k2n n ASN 704 N -4.49 0.26 0.00 -0.68 5.15 -1.26 -4.51 115.26 109.73 1k2n n ASN 704 Ca 0.40 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.38 1k2n n ASN 704 Cb 1.65 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 40.90 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 -1.84 0.00 0.00 1.20 0.28 -1.23 -4.78 120.64 114.27 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 0.04 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.91 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 0.95 0.13 -1.84 0.00 -1.26 -4.55 105.19 98.62 1k2n n GLY 706 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 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 0.41 -2.39 0.99 -0.00 -1.26 0.34 117.00 115.09 1k2n n LEU 707 Ca 0.00 -0.12 -0.01 0.00 -0.00 0.00 0.00 56.01 55.88 1k2n n LEU 707 Cb 0.00 -0.02 -0.00 0.00 -0.00 0.00 0.00 43.42 43.40 1k2n n LEU 707 CO 0.00 0.07 -0.02 0.61 -0.00 0.00 0.00 177.39 178.05 1k2n n GLY 708 N 1.07 -0.45 3.80 -3.96 0.00 -1.26 -1.49 105.19 102.90 1k2n n GLY 708 Ca 0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 1k2n n GLY 708 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1k2n n MET 709 N -2.43 -0.93 -0.05 1.61 0.00 -1.26 -3.94 117.12 110.12 1k2n n MET 709 Ca -0.02 0.44 0.01 0.00 0.00 0.00 0.00 57.70 58.13 1k2n n MET 709 Cb 0.48 -3.36 -0.00 0.00 0.00 0.00 0.00 33.22 30.34 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 -4.08 0.00 -3.43 4.03 -0.00 -0.56 -4.34 117.00 108.62 1k2n n LEU 710 Ca -0.13 0.05 -0.34 0.00 -0.00 0.00 0.00 56.01 55.60 1k2n n LEU 710 Cb 0.59 -0.15 -0.05 0.00 -0.00 0.00 0.00 43.42 43.81 1k2n n LEU 710 CO 0.68 -0.11 2.05 0.00 -0.00 0.00 0.00 177.39 180.01 1k2n n GLN 711 N -0.91 1.43 -4.20 1.47 6.02 -1.26 -4.87 117.38 115.06 1k2n n GLN 711 Ca 0.00 -1.55 -0.36 0.00 -0.01 0.00 0.00 57.00 55.09 1k2n n GLN 711 Cb 0.02 -2.67 -0.08 0.00 1.02 0.00 0.00 30.24 28.53 1k2n n GLN 711 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1k2n s GLU 712 N 4.70 3.15 0.09 -1.09 2.12 -1.25 -5.10 118.70 121.32 1k2n s GLU 712 Ca 0.49 -0.31 -0.25 0.00 0.36 0.00 0.00 54.97 55.25 1k2n s GLU 712 Cb 0.12 -2.93 -0.06 0.00 0.26 0.00 0.00 34.13 31.52 1k2n s GLU 712 CO 0.08 0.72 0.78 -0.65 -0.54 0.00 0.00 175.26 175.66 1k2n s GLN 713 N -0.91 4.53 0.00 4.30 -0.21 -1.26 -4.99 119.66 121.12 1k2n s GLN 713 Ca 0.14 1.12 0.00 0.00 0.02 0.00 0.00 55.36 56.64 1k2n s GLN 713 Cb -0.12 -3.33 0.00 0.00 1.00 0.00 0.00 33.01 30.56 1k2n s GLN 713 CO 0.03 0.36 0.00 0.54 -2.12 0.00 0.00 175.29 174.10 1k2n n ARG 714 N 2.45 3.50 -3.89 2.91 3.00 -1.26 -5.13 116.66 118.24 1k2n n ARG 714 Ca -0.03 0.00 -0.11 0.00 -0.01 0.00 0.00 57.85 57.70 1k2n n ARG 714 Cb 0.50 0.00 -0.13 0.00 0.00 0.00 0.00 32.46 32.82 1k2n n ARG 714 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 1k2n s VAL 715 N 2.18 0.02 -0.09 1.55 -7.23 -1.26 -5.07 120.40 110.50 1k2n s VAL 715 Ca 0.00 -0.19 -0.21 0.00 -1.81 0.00 0.00 61.98 59.77 1k2n s VAL 715 Cb 0.00 -0.08 -0.04 0.00 0.56 0.00 0.00 36.38 36.82 1k2n s VAL 715 CO 0.00 -0.10 0.61 -0.69 -0.31 0.00 0.00 175.10 174.60 1k2n s VAL 716 N -0.30 5.10 0.05 1.32 1.01 -1.26 -4.41 120.40 121.91 1k2n s VAL 716 Ca -0.03 1.24 0.05 0.00 0.00 0.00 0.00 61.98 63.23 1k2n s VAL 716 Cb -0.02 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 1k2n s VAL 716 CO -0.00 0.29 -0.06 -0.76 0.00 0.00 0.00 175.10 174.56 1k2n s LEU 717 N 0.70 3.20 0.36 3.92 1.02 -0.27 -4.96 118.68 122.65 1k2n s LEU 717 Ca 0.33 -0.22 -0.23 0.00 0.02 0.00 0.00 54.13 54.02 1k2n s LEU 717 Cb -0.17 -1.91 -0.10 0.00 0.02 0.00 0.00 46.19 44.03 1k2n s LEU 717 CO 0.15 0.23 0.92 -0.75 0.02 0.00 0.00 176.35 176.91 1k2n s LYS 718 N -1.85 4.38 0.60 1.70 2.20 -1.26 0.82 119.74 126.31 1k2n s LYS 718 Ca 0.20 1.17 -0.10 0.00 -0.36 0.00 0.00 55.97 56.88 1k2n s LYS 718 Cb -0.11 -2.53 -0.04 0.00 -1.51 0.00 0.00 37.83 33.64 1k2n s LYS 718 CO 0.12 0.16 0.99 -0.65 -0.36 0.00 0.00 175.35 175.60 1k2n s GLN 719 N -2.56 3.58 0.27 4.03 -0.21 0.31 -4.73 119.66 120.35 1k2n s GLN 719 Ca 0.55 0.64 0.01 0.00 0.02 0.00 0.00 55.36 56.58 1k2n s GLN 719 Cb -0.14 -2.13 -0.01 0.00 1.00 0.00 0.00 33.01 31.73 1k2n s GLN 719 CO 0.19 -0.51 0.05 0.25 -2.12 0.00 0.00 175.29 173.15 1k2n n THR 720 N -2.66 0.00 0.01 -0.19 -2.24 -1.26 -4.94 114.28 102.99 1k2n n THR 720 Ca 0.05 -1.44 0.17 0.00 -2.27 0.00 0.00 64.05 60.56 1k2n n THR 720 Cb 0.54 0.42 0.64 0.00 -2.10 0.00 0.00 70.33 69.83 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 1.30 2.33 -0.18 6.98 0.00 -1.98 -1.23 119.26 126.47 1k2n h ALA 721 Ca -0.22 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1k2n h ALA 721 Cb 0.75 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1k2n h ALA 721 CO 0.35 -0.46 0.02 1.49 0.00 0.00 0.00 179.25 180.66 1k2n h GLU 722 N 0.10 0.30 -0.01 0.00 4.81 -1.99 -1.38 114.58 116.42 1k2n h GLU 722 Ca 0.23 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.38 1k2n h GLU 722 Cb 0.79 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.14 1k2n h GLU 722 CO -0.02 0.48 0.00 0.93 -0.73 0.00 0.00 179.01 179.66 1k2n h GLU 723 N 0.09 0.01 -0.48 1.92 4.39 -1.65 -2.63 114.58 116.23 1k2n h GLU 723 Ca 0.05 -0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.83 1k2n h GLU 723 Cb 0.32 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.94 1k2n h GLU 723 CO 0.00 0.23 0.32 0.87 -1.16 0.00 0.00 179.01 179.28 1k2n h LYS 724 N -0.21 0.32 -0.37 2.33 1.57 -1.31 -0.99 116.57 117.90 1k2n h LYS 724 Ca 0.00 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.66 1k2n h LYS 724 Cb 0.22 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1k2n h LYS 724 CO -0.00 0.21 -0.21 -0.44 -0.57 0.00 0.00 179.45 178.45 1k2n h ASP 725 N 0.33 0.73 -0.59 0.86 5.19 -0.96 0.17 116.42 122.14 1k2n h ASP 725 Ca 0.22 -0.25 0.01 0.00 -0.62 0.00 0.00 57.03 56.39 1k2n h ASP 725 Cb 0.43 -0.20 -0.03 0.00 0.18 0.00 0.00 39.33 39.71 1k2n h ASP 725 CO -0.05 0.92 0.39 -0.07 -3.12 0.00 0.00 179.24 177.31 1k2n h LEU 726 N 0.63 0.66 0.00 1.55 3.38 -0.82 -2.73 115.31 117.98 1k2n h LEU 726 Ca 0.09 -0.01 -0.22 0.00 0.09 0.00 0.00 57.88 57.83 1k2n h LEU 726 Cb 0.69 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 1k2n h LEU 726 CO 0.05 0.47 -1.13 1.62 0.09 0.00 0.00 178.44 179.55 1k2n h VAL 727 N 0.78 1.54 -0.38 1.22 3.04 -1.42 -3.23 116.25 117.80 1k2n h VAL 727 Ca 0.22 -3.27 0.11 0.00 -1.01 0.00 0.00 66.70 62.75 1k2n h VAL 727 Cb -0.07 2.76 -0.02 0.00 -2.01 0.00 0.00 31.29 31.95 1k2n h VAL 727 CO -0.06 0.88 0.30 0.11 -1.01 0.00 0.00 177.57 177.79 1k2n h LYS 728 N 0.00 0.00 -0.60 4.17 1.57 -0.35 -1.43 116.57 119.93 1k2n h LYS 728 Ca -0.06 0.00 -0.44 0.00 -1.87 0.00 0.00 60.65 58.28 1k2n h LYS 728 Cb 1.81 0.00 -0.36 0.00 0.08 0.00 0.00 32.23 33.76 1k2n h LYS 728 CO 0.12 0.00 -0.79 1.63 -0.57 0.00 0.00 179.45 179.84 1k2n n LYS 729 N -4.25 3.12 0.00 3.15 5.02 -1.10 -5.07 118.16 119.02 1k2n n LYS 729 Ca 0.06 -3.96 0.16 0.00 -2.02 0.00 0.00 58.31 52.55 1k2n n LYS 729 Cb 0.48 -2.10 0.93 0.00 -0.02 0.00 0.00 35.03 34.32 1k2n n LYS 729 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35