#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 -2.00 -3.47 115.58 111.00 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 0.09 0.00 0.61 -0.37 0.00 0.00 177.43 177.76 1k2n n GLY 575 N -0.01 2.73 3.55 1.57 0.00 -1.26 -5.12 105.19 106.65 1k2n n GLY 575 Ca 0.00 -0.36 -0.32 0.00 0.00 0.00 0.00 46.02 45.33 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 2.49 0.07 1.61 3.52 -1.26 -2.92 118.95 122.46 1k2n s ARG 576 Ca 0.00 -0.74 0.00 0.00 -0.13 0.00 0.00 55.73 54.86 1k2n s ARG 576 Cb 0.00 -2.44 0.00 0.00 -1.56 0.00 0.00 34.95 30.95 1k2n s ARG 576 CO 0.00 0.60 0.00 0.34 -0.81 0.00 0.00 175.30 175.43 1k2n n PHE 577 N 1.76 -0.41 -4.79 5.12 7.35 -1.03 -3.97 117.46 121.48 1k2n n PHE 577 Ca -0.16 0.07 -0.33 0.00 -0.76 0.00 0.00 57.45 56.27 1k2n n PHE 577 Cb 0.52 0.19 -0.13 0.00 0.35 0.00 0.00 39.48 40.42 1k2n n PHE 577 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 1k2n s LEU 578 N -6.24 2.87 -0.24 -2.13 0.20 -0.99 -1.31 118.68 110.84 1k2n s LEU 578 Ca 0.00 -0.16 0.01 0.00 0.69 0.00 0.00 54.13 54.67 1k2n s LEU 578 Cb 0.00 -1.60 0.04 0.00 -0.43 0.00 0.00 46.19 44.19 1k2n s LEU 578 CO 0.00 0.32 -0.11 -0.89 -0.29 0.00 0.00 176.35 175.38 1k2n s THR 579 N -0.59 2.39 -0.40 3.68 2.01 0.17 0.11 115.64 123.01 1k2n s THR 579 Ca 0.09 -1.26 -0.11 0.00 0.31 0.00 0.00 61.69 60.71 1k2n s THR 579 Cb -0.11 -2.25 0.05 0.00 0.01 0.00 0.00 72.50 70.20 1k2n s THR 579 CO 0.01 0.19 0.25 -0.76 -0.69 0.00 0.00 174.62 173.62 1k2n s LEU 580 N 1.23 4.99 -0.36 4.42 1.43 0.43 0.16 118.68 130.97 1k2n s LEU 580 Ca -0.02 -1.17 0.01 0.00 -1.03 0.00 0.00 54.13 51.91 1k2n s LEU 580 Cb -0.17 -2.05 0.10 0.00 0.03 0.00 0.00 46.19 44.10 1k2n s LEU 580 CO -0.07 -0.47 0.10 -1.59 0.23 0.00 0.00 176.35 174.56 1k2n s LYS 581 N 1.54 1.78 -0.83 1.70 -2.85 -0.39 0.29 119.74 120.98 1k2n s LYS 581 Ca 0.03 -1.80 -0.30 0.00 -1.00 0.00 0.00 55.97 52.90 1k2n s LYS 581 Cb -0.21 -3.35 -0.18 0.00 -2.06 0.00 0.00 37.83 32.04 1k2n s LYS 581 CO 0.06 -0.96 2.59 -2.30 0.10 0.00 0.00 175.35 174.84 1k2n n PRO 582 N 4.42 0.31 -1.82 1.78 -0.02 0.91 -2.61 135.00 137.96 1k2n n PRO 582 Ca -0.00 0.01 -0.32 0.00 -2.02 0.00 0.00 63.50 61.17 1k2n n PRO 582 Cb 0.42 -2.05 0.03 0.00 -0.02 0.00 0.00 33.50 31.88 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 9.71 3.33 0.59 2.45 2.34 -1.06 -1.97 118.68 134.08 1k2n s LEU 583 Ca 1.25 1.74 0.29 0.00 0.06 0.00 0.00 54.13 57.47 1k2n s LEU 583 Cb -0.97 -4.52 1.41 0.00 -0.56 0.00 0.00 46.19 41.55 1k2n s LEU 583 CO 0.44 -1.31 1.81 -0.65 -1.06 0.00 0.00 176.35 175.57 1k2n h PRO 584 N -0.09 0.00 0.00 1.48 0.11 -1.89 0.51 132.00 132.12 1k2n h PRO 584 Ca -0.45 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 1k2n h PRO 584 Cb 1.22 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 -0.08 0.22 -0.21 0.00 0.00 178.00 178.50 1k2n h ASP 585 N 0.00 0.00 -2.95 -2.05 3.58 -1.91 -3.42 116.42 109.67 1k2n h ASP 585 Ca 0.28 0.00 -0.53 0.00 0.42 0.00 0.00 57.03 57.20 1k2n h ASP 585 Cb 1.51 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.54 1k2n h ASP 585 CO -0.00 0.08 -0.29 -0.55 -2.88 0.00 0.00 179.24 175.60 1k2n s SER 586 N -6.54 6.41 0.08 2.28 0.15 0.18 -4.83 113.70 111.43 1k2n s SER 586 Ca -0.04 0.49 0.05 0.00 0.70 0.00 0.00 55.95 57.15 1k2n s SER 586 Cb 0.15 -2.05 0.26 0.00 -1.71 0.00 0.00 66.02 62.67 1k2n s SER 586 CO 0.62 -0.07 1.08 2.30 1.20 0.00 0.00 173.24 178.36 1k2n n ILE 587 N -0.67 1.49 -3.95 6.45 -5.35 -0.44 -4.36 119.36 112.53 1k2n n ILE 587 Ca -0.04 0.56 -0.35 0.00 -0.27 0.00 0.00 62.75 62.65 1k2n n ILE 587 Cb 0.54 -1.56 -0.13 0.00 -1.74 0.00 0.00 39.64 36.75 1k2n n ILE 587 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1k2n s ILE 588 N -3.01 3.91 -0.77 7.28 1.01 -1.26 -5.01 121.20 123.35 1k2n s ILE 588 Ca -0.01 -0.32 0.02 0.00 0.00 0.00 0.00 60.65 60.34 1k2n s ILE 588 Cb 0.01 -2.79 0.35 0.00 0.01 0.00 0.00 42.46 40.04 1k2n s ILE 588 CO 0.04 0.40 1.46 0.00 0.00 0.00 0.00 174.94 176.85 1k2n n GLN 589 N 4.55 4.01 -4.54 2.79 3.00 -1.25 -3.53 117.38 122.42 1k2n n GLN 589 Ca -0.17 -4.54 -0.25 0.00 -0.01 0.00 0.00 57.00 52.03 1k2n n GLN 589 Cb 0.51 -2.33 -0.10 0.00 0.00 0.00 0.00 30.24 28.32 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 -3.89 1.82 -0.07 -1.09 2.02 -0.83 -4.99 118.70 111.66 1k2n s GLU 590 Ca 0.46 -2.04 0.02 0.00 0.02 0.00 0.00 54.97 53.43 1k2n s GLU 590 Cb 0.29 -1.19 0.01 0.00 0.10 0.00 0.00 34.13 33.34 1k2n s GLU 590 CO -0.19 -0.17 -0.13 -1.54 0.02 0.00 0.00 175.26 173.26 1k2n s SER 591 N -3.60 1.90 -0.03 -0.19 1.04 -1.26 -0.06 113.70 111.50 1k2n s SER 591 Ca 0.33 -0.32 0.03 0.00 0.48 0.00 0.00 55.95 56.47 1k2n s SER 591 Cb 0.08 -0.87 -0.03 0.00 0.10 0.00 0.00 66.02 65.30 1k2n s SER 591 CO 0.16 0.03 -0.11 -0.76 0.98 0.00 0.00 173.24 173.54 1k2n s LEU 592 N 0.71 2.96 -0.20 2.42 1.43 0.83 -4.92 118.68 121.91 1k2n s LEU 592 Ca -0.14 -0.17 0.01 0.00 -1.03 0.00 0.00 54.13 52.81 1k2n s LEU 592 Cb -0.16 -1.67 0.04 0.00 0.03 0.00 0.00 46.19 44.44 1k2n s LEU 592 CO 0.03 0.32 -0.10 -1.61 0.23 0.00 0.00 176.35 175.22 1k2n s GLU 593 N -1.06 2.02 -0.50 1.70 8.01 -1.26 0.16 118.70 127.76 1k2n s GLU 593 Ca 0.14 -0.85 -0.26 0.00 0.01 0.00 0.00 54.97 54.00 1k2n s GLU 593 Cb -0.11 -2.43 0.03 0.00 -4.31 0.00 0.00 34.13 27.32 1k2n s GLU 593 CO 0.04 -0.43 1.00 0.42 0.01 0.00 0.00 175.26 176.29 1k2n s ILE 594 N 1.39 4.35 0.07 -1.63 1.01 0.31 -4.97 121.20 121.72 1k2n s ILE 594 Ca -0.02 0.74 -0.31 0.00 0.00 0.00 0.00 60.65 61.07 1k2n s ILE 594 Cb -0.16 -4.53 -0.08 0.00 0.01 0.00 0.00 42.46 37.70 1k2n s ILE 594 CO -0.08 -1.00 1.60 -1.10 0.00 0.00 0.00 174.94 174.37 1k2n s GLN 595 N 4.08 4.21 0.58 2.79 1.11 -1.26 -2.34 119.66 128.83 1k2n s GLN 595 Ca 0.38 2.27 0.31 0.00 0.01 0.00 0.00 55.36 58.34 1k2n s GLN 595 Cb -0.10 -3.56 1.38 0.00 -1.01 0.00 0.00 33.01 29.72 1k2n s GLN 595 CO 0.26 -0.70 1.73 -0.56 0.01 0.00 0.00 175.29 176.02 1k2n h GLN 596 N 8.12 0.00 0.00 2.91 -0.00 -1.80 0.68 115.11 125.03 1k2n h GLN 596 Ca -0.42 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.20 1k2n h GLN 596 Cb 1.20 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.67 1k2n h GLN 596 CO 0.92 0.00 -0.15 0.78 -0.00 0.00 0.00 178.83 180.38 1k2n h GLY 597 N 0.00 0.00 -7.38 0.06 0.00 -1.88 -3.43 103.07 90.43 1k2n h GLY 597 Ca 0.39 0.00 -0.64 0.00 0.00 0.00 0.00 47.33 47.08 1k2n h GLY 597 CO -0.00 0.00 -0.26 0.14 0.00 0.00 0.00 176.54 176.42 1k2n s VAL 598 N -3.32 5.17 -0.04 4.60 1.01 0.24 -5.04 120.40 123.01 1k2n s VAL 598 Ca 0.04 0.32 -0.02 0.00 0.00 0.00 0.00 61.98 62.32 1k2n s VAL 598 Cb 0.07 -3.76 0.03 0.00 0.00 0.00 0.00 36.38 32.73 1k2n s VAL 598 CO 0.66 0.03 0.07 0.21 0.00 0.00 0.00 175.10 176.08 1k2n s ASN 599 N 1.70 0.82 0.42 3.32 2.47 -1.26 -4.03 114.94 118.38 1k2n s ASN 599 Ca 0.13 0.12 -0.03 0.00 0.42 0.00 0.00 52.86 53.51 1k2n s ASN 599 Cb -0.16 -0.04 -0.03 0.00 -1.45 0.00 0.00 41.25 39.56 1k2n s ASN 599 CO 0.11 -0.22 0.68 -2.16 -3.72 0.00 0.00 177.10 171.79 1k2n s PRO 600 N 1.95 3.51 -0.35 0.43 0.04 -1.26 -5.03 135.00 134.28 1k2n s PRO 600 Ca 0.01 -0.05 -0.19 0.00 0.04 0.00 0.00 61.00 60.81 1k2n s PRO 600 Cb -0.12 -2.51 -0.00 0.00 0.04 0.00 0.00 34.50 31.91 1k2n s PRO 600 CO -0.04 -0.05 0.57 0.12 0.04 0.00 0.00 177.00 177.65 1k2n s PHE 601 N -2.55 3.17 -0.00 0.56 5.36 0.22 -4.91 117.98 119.84 1k2n s PHE 601 Ca 0.44 0.27 -0.17 0.00 -0.96 0.00 0.00 56.93 56.52 1k2n s PHE 601 Cb -0.10 -3.02 -0.06 0.00 -0.34 0.00 0.00 43.02 39.51 1k2n s PHE 601 CO 0.41 -0.57 0.47 -0.06 -1.46 0.00 0.00 175.22 174.00 1k2n s PHE 602 N 2.54 3.71 0.04 10.12 0.08 -1.26 0.45 117.98 133.66 1k2n s PHE 602 Ca 0.21 1.06 0.06 0.00 0.12 0.00 0.00 56.93 58.38 1k2n s PHE 602 Cb -0.15 -2.40 -0.02 0.00 -0.57 0.00 0.00 43.02 39.88 1k2n s PHE 602 CO 0.14 0.54 -0.18 0.42 -0.10 0.00 0.00 175.22 176.04 1k2n s ILE 603 N -0.78 1.44 -4.88 0.64 1.09 0.30 0.16 121.20 119.17 1k2n s ILE 603 Ca 0.26 -1.13 0.00 0.00 -1.10 0.00 0.00 60.65 58.68 1k2n s ILE 603 Cb -0.17 -1.27 0.00 0.00 -1.06 0.00 0.00 42.46 39.96 1k2n s ILE 603 CO 0.14 0.11 0.00 0.61 -0.10 0.00 0.00 174.94 175.71 1k2n n GLY 604 N 1.84 -1.83 0.11 6.18 0.00 -1.14 -2.75 105.19 107.60 1k2n n GLY 604 Ca -0.18 -1.25 -0.13 0.00 0.00 0.00 0.00 46.02 44.47 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 0.00 -0.17 -6.55 1.61 3.08 0.26 0.56 114.38 113.17 1k2n h ARG 605 Ca 0.00 0.01 -0.52 0.00 0.07 0.00 0.00 59.98 59.54 1k2n h ARG 605 Cb 0.00 0.04 0.04 0.00 0.08 0.00 0.00 29.97 30.13 1k2n h ARG 605 CO 0.00 0.18 1.08 -1.12 -1.07 0.00 0.00 179.97 179.05 1k2n s SER 606 N -5.37 6.42 0.54 7.04 0.01 -1.06 -4.53 113.70 116.75 1k2n s SER 606 Ca -0.15 2.78 0.28 0.00 1.31 0.00 0.00 55.95 60.17 1k2n s SER 606 Cb 0.02 -2.57 1.50 0.00 0.21 0.00 0.00 66.02 65.18 1k2n s SER 606 CO 0.61 -0.99 1.82 1.05 0.41 0.00 0.00 173.24 176.14 1k2n h GLU 607 N 8.14 0.00 -0.37 12.44 4.11 -1.89 -0.55 114.58 136.45 1k2n h GLU 607 Ca -0.45 0.00 0.10 0.00 0.07 0.00 0.00 59.36 59.08 1k2n h GLU 607 Cb 1.21 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 1k2n h GLU 607 CO 0.95 0.00 0.27 -0.44 0.07 0.00 0.00 179.01 179.86 1k2n h ASP 608 N 0.00 0.04 -3.44 3.06 3.32 -1.91 -3.41 116.42 114.08 1k2n h ASP 608 Ca 0.00 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.53 1k2n h ASP 608 Cb 0.43 -0.01 0.02 0.00 0.22 0.00 0.00 39.33 40.00 1k2n h ASP 608 CO 0.00 0.02 0.60 0.00 -1.72 0.00 0.00 179.24 178.14 1k2n h ASN 610 N 5.32 0.00 -3.90 0.00 2.35 -0.62 -3.38 115.58 115.35 1k2n h ASN 610 Ca -0.45 0.00 -0.69 0.00 -0.55 0.00 0.00 56.30 54.62 1k2n h ASN 610 Cb 1.21 0.00 -0.21 0.00 0.05 0.00 0.00 38.32 39.37 1k2n h ASN 610 CO 0.76 0.00 -0.76 0.00 -1.65 0.00 0.00 177.43 175.78 1k2n s LYS 612 N -1.10 2.37 -0.18 0.00 -0.14 -1.26 -2.88 119.74 116.55 1k2n s LYS 612 Ca 0.14 -1.49 -0.05 0.00 -1.36 0.00 0.00 55.97 53.21 1k2n s LYS 612 Cb -0.11 -3.53 0.06 0.00 -1.68 0.00 0.00 37.83 32.57 1k2n s LYS 612 CO 0.04 -0.87 0.08 0.42 -0.76 0.00 0.00 175.35 174.25 1k2n s ILE 613 N 1.29 0.03 -0.42 2.17 -1.09 0.20 -4.93 121.20 118.43 1k2n s ILE 613 Ca 0.02 -0.27 -0.12 0.00 -2.23 0.00 0.00 60.65 58.06 1k2n s ILE 613 Cb -0.22 -0.68 0.06 0.00 -1.58 0.00 0.00 42.46 40.05 1k2n s ILE 613 CO -0.01 -0.29 0.29 -1.61 -1.23 0.00 0.00 174.94 172.09 1k2n s GLU 614 N 2.08 2.77 -0.24 2.79 2.02 -1.26 0.14 118.70 127.02 1k2n s GLU 614 Ca 0.02 -1.32 -0.01 0.00 0.02 0.00 0.00 54.97 53.68 1k2n s GLU 614 Cb -0.16 -3.88 0.07 0.00 0.10 0.00 0.00 34.13 30.26 1k2n s GLU 614 CO -0.10 -0.91 0.02 0.34 0.02 0.00 0.00 175.26 174.63 1k2n s ASP 615 N 2.10 3.54 0.56 -0.19 2.15 -1.26 -5.00 116.67 118.58 1k2n s ASP 615 Ca 0.03 -1.17 0.46 0.00 0.43 0.00 0.00 52.55 52.30 1k2n s ASP 615 Cb -0.22 -0.89 1.62 0.00 -0.30 0.00 0.00 42.92 43.13 1k2n s ASP 615 CO 0.05 -0.31 1.57 -0.55 -0.17 0.00 0.00 175.17 175.76 1k2n h ASN 616 N 8.09 0.00 -0.47 -0.34 -1.07 -1.98 0.65 115.58 120.46 1k2n h ASN 616 Ca -0.16 0.00 -0.10 0.00 0.07 0.00 0.00 56.30 56.11 1k2n h ASN 616 Cb 1.08 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 37.31 1k2n h ASN 616 CO 0.40 0.00 -0.09 -0.09 0.07 0.00 0.00 177.43 177.72 1k2n h ARG 617 N 0.00 0.90 -6.75 4.14 9.65 -2.02 -3.44 114.38 116.85 1k2n h ARG 617 Ca 0.84 -0.33 -0.49 0.00 -1.10 0.00 0.00 59.98 58.89 1k2n h ARG 617 Cb 3.48 -0.06 0.02 0.00 -1.39 0.00 0.00 29.97 32.03 1k2n h ARG 617 CO -0.01 0.98 -0.01 -0.48 2.80 0.00 0.00 179.97 183.25 1k2n s LEU 618 N -9.25 3.81 0.90 3.80 0.05 0.23 -4.74 118.68 113.47 1k2n s LEU 618 Ca -0.12 0.78 -0.14 0.00 0.05 0.00 0.00 54.13 54.70 1k2n s LEU 618 Cb 0.11 -3.68 0.14 0.00 -2.05 0.00 0.00 46.19 40.71 1k2n s LEU 618 CO 0.84 -0.44 1.21 -0.94 -0.55 0.00 0.00 176.35 176.47 1k2n s SER 619 N -3.91 3.68 0.25 1.48 1.04 -1.26 -4.71 113.70 110.27 1k2n s SER 619 Ca 0.45 0.65 -0.05 0.00 0.48 0.00 0.00 55.95 57.48 1k2n s SER 619 Cb -0.10 -1.01 0.48 0.00 0.10 0.00 0.00 66.02 65.49 1k2n s SER 619 CO 0.40 -2.41 1.66 0.03 0.98 0.00 0.00 173.24 173.89 1k2n h ARG 620 N -1.41 0.18 -2.27 4.02 -0.00 -1.95 -2.60 114.38 110.36 1k2n h ARG 620 Ca -0.46 -0.01 -0.60 0.00 -0.50 0.00 0.00 59.98 58.40 1k2n h ARG 620 Cb 1.30 -0.04 -0.42 0.00 0.00 0.00 0.00 29.97 30.81 1k2n h ARG 620 CO 0.55 0.12 -0.58 0.28 0.00 0.00 0.00 179.97 180.35 1k2n n VAL 621 N -5.24 2.35 -0.24 2.04 0.31 -1.26 -0.41 118.33 115.88 1k2n n VAL 621 Ca 0.15 -5.21 0.05 0.00 -0.01 0.00 0.00 64.34 59.31 1k2n n VAL 621 Cb 0.49 -2.11 0.17 0.00 -0.91 0.00 0.00 33.84 31.48 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 4.28 0.26 -2.47 3.52 2.76 -1.27 -3.39 115.15 118.84 1k2n h HIS 622 Ca 0.20 0.04 0.05 0.00 -2.20 0.00 0.00 60.37 58.46 1k2n h HIS 622 Cb 0.67 -0.00 -0.15 0.00 1.55 0.00 0.00 27.41 29.48 1k2n h HIS 622 CO 0.72 -0.07 0.37 0.00 -1.30 0.00 0.00 177.93 177.65 1k2n s PHE 624 N -3.09 0.05 -0.18 0.00 -0.71 0.88 -0.54 117.98 114.39 1k2n s PHE 624 Ca 0.02 -0.12 -0.08 0.00 -1.04 0.00 0.00 56.93 55.72 1k2n s PHE 624 Cb -0.01 -0.06 -0.04 0.00 -1.21 0.00 0.00 43.02 41.70 1k2n s PHE 624 CO -0.09 -0.22 0.08 0.42 -1.34 0.00 0.00 175.22 174.08 1k2n s ILE 625 N -1.08 4.98 -0.06 -4.49 1.09 0.17 0.14 121.20 121.95 1k2n s ILE 625 Ca -0.12 0.03 0.05 0.00 -1.10 0.00 0.00 60.65 59.51 1k2n s ILE 625 Cb -0.07 -3.24 -0.00 0.00 -1.06 0.00 0.00 42.46 38.09 1k2n s ILE 625 CO 0.01 0.47 -0.22 0.12 -0.10 0.00 0.00 174.94 175.22 1k2n s PHE 626 N 0.21 2.19 -0.11 3.97 5.36 0.44 0.73 117.98 130.76 1k2n s PHE 626 Ca 0.06 -0.71 -0.10 0.00 -0.96 0.00 0.00 56.93 55.21 1k2n s PHE 626 Cb -0.12 -1.46 -0.05 0.00 -0.34 0.00 0.00 43.02 41.06 1k2n s PHE 626 CO -0.00 -0.25 0.22 0.21 -1.46 0.00 0.00 175.22 173.95 1k2n s LYS 627 N 0.05 3.81 0.10 10.12 2.47 -1.26 0.16 119.74 135.19 1k2n s LYS 627 Ca -0.08 0.01 0.02 0.00 -1.56 0.00 0.00 55.97 54.37 1k2n s LYS 627 Cb -0.14 -3.28 -0.04 0.00 -1.46 0.00 0.00 37.83 32.91 1k2n s LYS 627 CO 0.04 0.58 -0.07 0.21 0.16 0.00 0.00 175.35 176.28 1k2n s LYS 628 N -0.54 0.83 -0.38 4.03 2.36 0.19 -4.93 119.74 121.30 1k2n s LYS 628 Ca 0.16 -1.29 -0.29 0.00 -2.55 0.00 0.00 55.97 52.00 1k2n s LYS 628 Cb -0.13 -0.26 0.01 0.00 -1.05 0.00 0.00 37.83 36.40 1k2n s LYS 628 CO 0.05 0.00 1.29 0.50 1.55 0.00 0.00 175.35 178.74 1k2n s ARG 629 N -3.61 3.76 -0.14 4.03 6.06 -1.26 0.16 118.95 127.94 1k2n s ARG 629 Ca 0.10 0.98 -0.29 0.00 -2.50 0.00 0.00 55.73 54.02 1k2n s ARG 629 Cb 0.04 -3.93 -0.01 0.00 0.06 0.00 0.00 34.95 31.11 1k2n s ARG 629 CO -0.04 -1.33 0.99 -1.58 -2.50 0.00 0.00 175.30 170.85 1k2n s HIS 630 N 4.73 3.46 -0.05 5.12 5.65 0.67 -4.87 115.29 130.00 1k2n s HIS 630 Ca 0.56 1.52 -0.02 0.00 0.25 0.00 0.00 55.06 57.36 1k2n s HIS 630 Cb -0.13 -3.18 0.03 0.00 -1.18 0.00 0.00 32.58 28.12 1k2n s HIS 630 CO 0.28 -0.28 0.12 0.00 -0.65 0.00 0.00 174.74 174.20 1k2n s ALA 631 N 2.30 -0.20 -0.24 1.58 0.00 -1.26 -1.32 121.76 122.62 1k2n s ALA 631 Ca 0.46 0.54 -0.06 0.00 0.00 0.00 0.00 51.96 52.90 1k2n s ALA 631 Cb -0.17 -0.37 -0.02 0.00 0.00 0.00 0.00 23.12 22.56 1k2n s ALA 631 CO 0.14 -0.13 0.03 0.14 0.00 0.00 0.00 175.76 175.95 1k2n s VAL 632 N 0.97 3.99 -1.08 0.00 -7.23 -1.26 -5.01 120.40 110.77 1k2n s VAL 632 Ca -0.08 -0.29 -0.06 0.00 -1.81 0.00 0.00 61.98 59.75 1k2n s VAL 632 Cb -0.10 -2.85 0.04 0.00 0.56 0.00 0.00 36.38 34.02 1k2n s VAL 632 CO -0.04 0.36 2.68 0.61 -0.31 0.00 0.00 175.10 178.40 1k2n n GLY 633 N 4.88 4.68 2.68 2.32 0.00 -1.26 -4.51 105.19 113.98 1k2n n GLY 633 Ca -0.17 -1.85 -0.03 0.00 0.00 0.00 0.00 46.02 43.98 1k2n n GLY 633 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k2n s LYS 634 N -0.50 0.20 -0.48 1.61 -2.85 -1.26 -5.05 119.74 111.40 1k2n s LYS 634 Ca 0.59 -0.18 0.05 0.00 -1.00 0.00 0.00 55.97 55.43 1k2n s LYS 634 Cb 0.24 -0.01 0.40 0.00 -2.06 0.00 0.00 37.83 36.40 1k2n s LYS 634 CO -0.11 -0.25 1.09 -1.13 0.10 0.00 0.00 175.35 175.05 1k2n n SER 635 N 2.73 4.71 -4.66 0.03 3.41 -1.26 -5.03 113.62 113.55 1k2n n SER 635 Ca 0.11 -3.71 -0.42 0.00 -0.26 0.00 0.00 58.87 54.58 1k2n n SER 635 Cb 0.65 -0.49 -0.03 0.00 -0.26 0.00 0.00 64.21 64.07 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 -3.54 4.16 0.00 4.33 0.00 -1.26 -3.82 119.30 119.17 1k2n s MET 636 Ca 0.48 2.47 0.00 0.00 0.00 0.00 0.00 55.69 58.64 1k2n s MET 636 Cb 0.37 -4.07 0.00 0.00 0.00 0.00 0.00 34.83 31.13 1k2n s MET 636 CO -0.18 -0.91 0.00 0.98 0.00 0.00 0.00 175.02 174.91 1k2n n TYR 637 N 7.29 0.00 -2.56 4.11 4.19 -1.26 -4.85 117.16 124.08 1k2n n TYR 637 Ca 0.19 0.00 -0.37 0.00 3.31 0.00 0.00 57.90 61.02 1k2n n TYR 637 Cb 0.41 0.00 -0.04 0.00 0.49 0.00 0.00 39.34 40.20 1k2n n TYR 637 CO 0.00 0.00 0.00 -1.21 0.91 0.00 0.00 176.86 176.56 1k2n s GLU 638 N 0.00 4.33 -0.56 2.98 2.02 -1.25 -5.02 118.70 121.20 1k2n s GLU 638 Ca 0.00 1.56 -0.01 0.00 0.02 0.00 0.00 54.97 56.54 1k2n s GLU 638 Cb 0.00 -2.74 0.15 0.00 0.10 0.00 0.00 34.13 31.64 1k2n s GLU 638 CO 0.00 0.00 0.36 -1.54 0.02 0.00 0.00 175.26 174.10 1k2n s SER 639 N -1.40 5.00 0.00 -0.19 1.04 -1.26 -4.60 113.70 112.28 1k2n s SER 639 Ca 0.53 -2.77 0.00 0.00 0.48 0.00 0.00 55.95 54.19 1k2n s SER 639 Cb -0.24 -1.79 0.00 0.00 0.10 0.00 0.00 66.02 64.09 1k2n s SER 639 CO 0.30 -0.36 0.00 -2.65 0.98 0.00 0.00 173.24 171.52 1k2n n PRO 640 N 3.55 2.27 0.00 4.02 -0.02 -1.26 -4.77 135.00 138.79 1k2n n PRO 640 Ca 0.06 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.62 1k2n n PRO 640 Cb 0.37 0.00 0.48 0.00 -0.02 0.00 0.00 33.50 34.33 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 2.51 -0.43 3.55 0.00 -1.26 -4.92 120.51 116.95 1k2n n ALA 641 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1k2n n ALA 641 Cb 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.19 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 -0.78 0.00 -3.10 0.00 3.00 -1.26 -4.23 117.38 111.01 1k2n n GLN 642 Ca 0.12 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.16 1k2n n GLN 642 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.30 1k2n n GLN 642 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1k2n s GLY 643 N 0.00 -1.12 0.00 1.08 0.00 -1.26 -4.09 107.32 101.93 1k2n s GLY 643 Ca 0.00 1.63 0.00 0.00 0.00 0.00 0.00 44.72 46.35 1k2n s GLY 643 CO 0.00 4.02 0.00 1.04 0.00 0.00 0.00 173.10 178.16 1k2n n LEU 644 N 4.92 0.00 -4.46 0.66 4.77 -0.44 -4.87 117.00 117.58 1k2n n LEU 644 Ca 0.08 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.76 1k2n n LEU 644 Cb 0.58 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.55 1k2n n LEU 644 CO -0.12 0.00 -0.50 -1.81 -1.33 0.00 0.00 177.39 173.63 1k2n s ASP 645 N 0.54 3.80 0.12 -1.43 1.11 -1.26 0.24 116.67 119.80 1k2n s ASP 645 Ca 0.00 -0.50 0.05 0.00 0.18 0.00 0.00 52.55 52.28 1k2n s ASP 645 Cb 0.00 -0.56 -0.04 0.00 1.07 0.00 0.00 42.92 43.39 1k2n s ASP 645 CO 0.00 0.22 -0.11 -1.81 1.18 0.00 0.00 175.17 174.65 1k2n s ASP 646 N -1.75 1.76 -0.22 0.27 1.01 0.42 -3.45 116.67 114.71 1k2n s ASP 646 Ca 0.16 -0.89 -0.08 0.00 0.71 0.00 0.00 52.55 52.45 1k2n s ASP 646 Cb -0.10 -0.02 -0.04 0.00 1.01 0.00 0.00 42.92 43.76 1k2n s ASP 646 CO 0.07 -0.25 0.08 0.27 0.21 0.00 0.00 175.17 175.55 1k2n s ILE 647 N -2.69 4.67 -0.21 0.77 -4.36 -1.26 0.58 121.20 118.70 1k2n s ILE 647 Ca 0.11 -0.06 -0.05 0.00 -0.26 0.00 0.00 60.65 60.38 1k2n s ILE 647 Cb -0.01 -3.15 -0.02 0.00 1.25 0.00 0.00 42.46 40.53 1k2n s ILE 647 CO 0.01 0.39 0.00 0.26 0.24 0.00 0.00 174.94 175.84 1k2n s TRP 648 N 1.01 3.03 -0.33 1.37 0.52 0.42 -0.01 118.94 124.94 1k2n s TRP 648 Ca 0.04 -0.54 -0.21 0.00 0.02 0.00 0.00 56.10 55.42 1k2n s TRP 648 Cb -0.14 -2.11 -0.00 0.00 -1.15 0.00 0.00 33.47 30.07 1k2n s TRP 648 CO 0.03 -0.31 0.66 -0.47 0.02 0.00 0.00 176.95 176.88 1k2n s TYR 649 N 1.18 3.18 -0.07 -1.98 6.14 0.16 0.17 117.35 126.12 1k2n s TYR 649 Ca 0.03 0.52 -0.05 0.00 0.64 0.00 0.00 57.07 58.21 1k2n s TYR 649 Cb -0.14 -3.11 -0.04 0.00 0.42 0.00 0.00 41.96 39.09 1k2n s TYR 649 CO 0.01 -0.57 0.14 0.00 0.64 0.00 0.00 175.55 175.78 1k2n s HIS 651 N -1.14 2.58 0.00 0.00 2.46 0.41 -0.08 115.29 119.52 1k2n s HIS 651 Ca 0.20 -0.92 0.00 0.00 0.47 0.00 0.00 55.06 54.81 1k2n s HIS 651 Cb -0.12 -1.71 0.00 0.00 -0.13 0.00 0.00 32.58 30.62 1k2n s HIS 651 CO 0.10 -0.35 0.50 0.25 -2.47 0.00 0.00 174.74 172.77 1k2n n THR 652 N 3.41 0.20 -2.58 0.89 -2.24 0.47 0.11 114.28 114.53 1k2n n THR 652 Ca -0.19 -0.46 -0.33 0.00 -2.27 0.00 0.00 64.05 60.80 1k2n n THR 652 Cb 0.53 1.11 -0.04 0.00 -2.10 0.00 0.00 70.33 69.82 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 -0.20 2.41 0.22 3.38 0.00 0.62 -4.83 107.32 108.92 1k2n s GLY 653 Ca 0.00 0.49 0.04 0.00 0.00 0.00 0.00 44.72 45.26 1k2n s GLY 653 CO 0.00 0.80 1.51 0.00 0.00 0.00 0.00 173.10 175.40 1k2n h THR 654 N 1.54 1.43 0.00 0.90 1.03 -1.90 -3.07 112.91 112.83 1k2n h THR 654 Ca -0.49 -2.20 0.00 0.00 -0.01 0.00 0.00 66.41 63.71 1k2n h THR 654 Cb 1.20 2.16 0.00 0.00 -1.07 0.00 0.00 68.15 70.44 1k2n h THR 654 CO 0.60 0.64 0.00 0.59 -0.01 0.00 0.00 175.52 177.34 1k2n n ASN 655 N -3.80 0.00 -1.85 0.00 3.02 -1.26 -4.86 115.26 106.51 1k2n n ASN 655 Ca -0.03 -0.95 0.00 0.00 -0.03 0.00 0.00 54.58 53.57 1k2n n ASN 655 Cb 0.68 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.85 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 -0.89 -6.17 -2.54 2.41 3.14 -1.16 -4.87 118.33 108.24 1k2n n VAL 656 Ca 0.14 2.04 -0.25 0.00 -2.96 0.00 0.00 64.34 63.32 1k2n n VAL 656 Cb 0.07 -3.00 0.03 0.00 -1.06 0.00 0.00 33.84 29.88 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 -1.13 5.50 -0.12 6.55 1.04 -1.16 -4.78 113.70 119.60 1k2n s SER 657 Ca 0.00 0.47 -0.00 0.00 0.48 0.00 0.00 55.95 56.90 1k2n s SER 657 Cb 0.00 -1.46 0.02 0.00 0.10 0.00 0.00 66.02 64.68 1k2n s SER 657 CO 0.00 -1.06 -0.09 -0.31 0.98 0.00 0.00 173.24 172.76 1k2n s TYR 658 N -2.89 1.62 -0.54 5.02 2.02 0.29 -1.67 117.35 121.20 1k2n s TYR 658 Ca 0.54 -0.83 -0.15 0.00 -0.37 0.00 0.00 57.07 56.26 1k2n s TYR 658 Cb -0.10 -1.30 0.13 0.00 -0.40 0.00 0.00 41.96 40.29 1k2n s TYR 658 CO 0.42 -0.54 0.49 -1.17 -1.57 0.00 0.00 175.55 173.18 1k2n s LEU 659 N 1.62 6.14 0.00 -1.29 2.96 0.31 0.23 118.68 128.65 1k2n s LEU 659 Ca 0.04 -1.81 0.00 0.00 -0.22 0.00 0.00 54.13 52.14 1k2n s LEU 659 Cb -0.13 -2.19 0.00 0.00 0.50 0.00 0.00 46.19 44.37 1k2n s LEU 659 CO -0.08 -0.84 0.00 0.59 -1.32 0.00 0.00 176.35 174.70 1k2n n ASN 660 N 5.20 0.00 0.00 3.68 3.02 -0.96 0.00 115.26 126.20 1k2n n ASN 660 Ca -0.13 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.42 1k2n n ASN 660 Cb 0.40 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.57 1k2n n ASN 660 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1k2n n ASN 661 N 1.62 0.61 -4.25 6.41 3.02 -1.26 -5.02 115.26 116.40 1k2n n ASN 661 Ca 0.00 -1.18 -0.35 0.00 -0.03 0.00 0.00 54.58 53.02 1k2n n ASN 661 Cb 0.00 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.03 1k2n n ASN 661 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1k2n s ASN 662 N -0.18 4.34 0.19 6.41 -0.87 0.10 -5.10 114.94 119.82 1k2n s ASN 662 Ca 0.00 -0.70 -0.24 0.00 -1.57 0.00 0.00 52.86 50.35 1k2n s ASN 662 Cb 0.00 -1.70 -0.08 0.00 -0.02 0.00 0.00 41.25 39.45 1k2n s ASN 662 CO 0.00 -0.10 0.77 0.00 -2.57 0.00 0.00 177.10 175.20 1k2n s ARG 663 N 1.39 4.49 0.01 -0.60 1.70 -1.26 -0.53 118.95 124.15 1k2n s ARG 663 Ca 0.02 1.10 0.07 0.00 -0.47 0.00 0.00 55.73 56.45 1k2n s ARG 663 Cb -0.16 -3.15 -0.02 0.00 -0.57 0.00 0.00 34.95 31.06 1k2n s ARG 663 CO -0.04 0.52 -0.21 0.00 -1.08 0.00 0.00 175.30 174.48 1k2n s MET 664 N -1.39 1.59 0.38 3.89 0.23 -0.67 -4.95 119.30 118.37 1k2n s MET 664 Ca 0.38 -0.86 0.03 0.00 -1.03 0.00 0.00 55.69 54.21 1k2n s MET 664 Cb -0.21 -1.62 -0.01 0.00 -1.53 0.00 0.00 34.83 31.45 1k2n s MET 664 CO 0.25 0.43 0.55 0.96 -2.03 0.00 0.00 175.02 175.18 1k2n s ILE 665 N -0.64 4.25 -0.84 3.16 -4.36 -1.26 -2.99 121.20 118.52 1k2n s ILE 665 Ca 0.08 -0.73 -0.21 0.00 -0.26 0.00 0.00 60.65 59.53 1k2n s ILE 665 Cb -0.09 -3.53 -0.20 0.00 1.25 0.00 0.00 42.46 39.90 1k2n s ILE 665 CO 0.00 -0.29 2.35 1.67 0.24 0.00 0.00 174.94 178.92 1k2n n GLN 666 N -1.82 0.40 0.00 0.37 7.27 -1.25 -1.92 117.38 120.43 1k2n n GLN 666 Ca -0.01 -0.47 0.00 0.00 0.07 0.00 0.00 57.00 56.59 1k2n n GLN 666 Cb 0.58 -2.73 0.00 0.00 2.41 0.00 0.00 30.24 30.49 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 6.32 0.88 3.12 1.69 0.00 0.30 -4.91 105.19 112.60 1k2n n GLY 667 Ca 0.54 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.46 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 -1.75 0.49 0.17 2.61 -4.23 -0.81 0.85 115.64 112.96 1k2n s THR 668 Ca 0.00 -1.76 0.07 0.00 -1.18 0.00 0.00 61.69 58.82 1k2n s THR 668 Cb 0.00 -1.45 -0.04 0.00 1.34 0.00 0.00 72.50 72.35 1k2n s THR 668 CO 0.00 -0.85 -0.14 -1.59 -0.54 0.00 0.00 174.62 171.50 1k2n s LYS 669 N -3.52 1.20 -0.02 3.99 -2.85 0.28 -0.45 119.74 118.37 1k2n s LYS 669 Ca 0.07 -1.47 -0.08 0.00 -1.00 0.00 0.00 55.97 53.49 1k2n s LYS 669 Cb 0.04 -0.98 0.01 0.00 -2.06 0.00 0.00 37.83 34.84 1k2n s LYS 669 CO -0.06 0.16 0.17 0.12 0.10 0.00 0.00 175.35 175.85 1k2n s PHE 670 N -2.81 -0.06 0.13 1.78 2.19 0.12 0.13 117.98 119.45 1k2n s PHE 670 Ca 0.18 0.11 -0.31 0.00 0.33 0.00 0.00 56.93 57.24 1k2n s PHE 670 Cb -0.01 0.00 -0.09 0.00 -1.31 0.00 0.00 43.02 41.61 1k2n s PHE 670 CO 0.05 -0.24 1.49 -1.17 1.83 0.00 0.00 175.22 177.18 1k2n s LEU 671 N -0.90 4.37 -0.17 6.12 1.98 -1.26 0.35 118.68 129.16 1k2n s LEU 671 Ca -0.10 2.45 -0.07 0.00 -2.89 0.00 0.00 54.13 53.52 1k2n s LEU 671 Cb -0.05 -3.59 -0.04 0.00 0.66 0.00 0.00 46.19 43.17 1k2n s LEU 671 CO 0.01 -0.75 0.06 -0.76 -1.89 0.00 0.00 176.35 173.02 1k2n s LEU 672 N 1.32 3.82 0.12 -0.68 1.43 0.99 -4.88 118.68 120.80 1k2n s LEU 672 Ca 0.68 0.10 0.10 0.00 -1.03 0.00 0.00 54.13 53.97 1k2n s LEU 672 Cb -0.40 -1.96 -0.04 0.00 0.03 0.00 0.00 46.19 43.83 1k2n s LEU 672 CO 0.31 0.19 -0.24 -1.10 0.23 0.00 0.00 176.35 175.74 1k2n s GLN 673 N 0.25 1.30 -0.52 1.70 -0.21 -0.65 -4.15 119.66 117.39 1k2n s GLN 673 Ca 0.04 -1.29 -0.33 0.00 0.02 0.00 0.00 55.36 53.79 1k2n s GLN 673 Cb -0.12 -1.70 -0.13 0.00 1.00 0.00 0.00 33.01 32.06 1k2n s GLN 673 CO 0.00 0.40 2.34 -3.47 -2.12 0.00 0.00 175.29 172.44 1k2n n ASP 674 N 0.92 1.73 0.00 5.90 2.03 -1.26 -0.59 116.55 125.28 1k2n n ASP 674 Ca -0.18 0.18 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1k2n n ASP 674 Cb 0.53 -1.24 0.00 0.00 -0.72 0.00 0.00 41.12 39.69 1k2n n ASP 674 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1k2n n GLY 675 N 6.47 1.73 3.55 0.27 0.00 0.46 -4.87 105.19 112.81 1k2n n GLY 675 Ca 0.46 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.00 6.38 -0.44 1.61 2.15 0.24 -4.75 116.67 119.86 1k2n s ASP 676 Ca 0.00 -0.04 -0.18 0.00 0.43 0.00 0.00 52.55 52.76 1k2n s ASP 676 Cb 0.00 -2.32 0.03 0.00 -0.30 0.00 0.00 42.92 40.33 1k2n s ASP 676 CO 0.00 -0.65 0.49 -0.70 -0.17 0.00 0.00 175.17 174.14 1k2n s GLU 677 N 2.71 3.11 -0.12 4.34 -6.30 -1.26 0.15 118.70 121.34 1k2n s GLU 677 Ca 0.23 -0.79 -0.04 0.00 -2.50 0.00 0.00 54.97 51.87 1k2n s GLU 677 Cb -0.14 -4.00 -0.03 0.00 0.00 0.00 0.00 34.13 29.95 1k2n s GLU 677 CO 0.16 -0.95 0.02 0.42 0.02 0.00 0.00 175.26 174.93 1k2n s ILE 678 N 2.25 4.46 -0.32 -3.70 1.01 0.61 -2.27 121.20 123.25 1k2n s ILE 678 Ca 0.13 -0.18 -0.16 0.00 0.00 0.00 0.00 60.65 60.44 1k2n s ILE 678 Cb -0.18 -2.92 -0.02 0.00 0.01 0.00 0.00 42.46 39.35 1k2n s ILE 678 CO 0.13 0.56 0.43 -0.54 0.00 0.00 0.00 174.94 175.52 1k2n s LYS 679 N -0.45 3.72 0.07 2.79 1.02 0.61 0.17 119.74 127.66 1k2n s LYS 679 Ca 0.09 -0.18 -0.07 0.00 0.02 0.00 0.00 55.97 55.82 1k2n s LYS 679 Cb -0.12 -3.76 -0.29 0.00 -0.52 0.00 0.00 37.83 33.13 1k2n s LYS 679 CO 0.02 -0.50 1.12 0.82 -0.92 0.00 0.00 175.35 175.89 1k2n h ILE 680 N 5.52 1.44 -2.38 2.17 2.04 -1.79 0.84 117.51 125.35 1k2n h ILE 680 Ca -0.29 -2.93 -0.06 0.00 1.00 0.00 0.00 64.86 62.57 1k2n h ILE 680 Cb 1.14 2.94 -0.24 0.00 -0.74 0.00 0.00 36.82 39.92 1k2n h ILE 680 CO 0.71 0.86 -0.15 -0.51 0.00 0.00 0.00 178.15 179.06 1k2n s ILE 681 N -2.68 -0.01 -0.05 -0.67 1.10 -1.25 -4.37 121.20 113.26 1k2n s ILE 681 Ca -0.05 0.05 -0.01 0.00 -0.51 0.00 0.00 60.65 60.12 1k2n s ILE 681 Cb 0.06 -0.77 0.03 0.00 0.15 0.00 0.00 42.46 41.93 1k2n s ILE 681 CO 0.90 0.02 0.01 0.86 -2.11 0.00 0.00 174.94 174.62 1k2n s TRP 682 N 1.34 0.49 -0.16 3.50 -0.00 -1.23 0.55 118.94 123.43 1k2n s TRP 682 Ca -0.08 -0.05 0.00 0.00 -0.00 0.00 0.00 56.10 55.96 1k2n s TRP 682 Cb -0.07 -0.65 0.03 0.00 -0.00 0.00 0.00 33.47 32.79 1k2n s TRP 682 CO -0.14 -0.25 -0.09 0.34 -0.00 0.00 0.00 176.95 176.81 1k2n s ASP 683 N 1.73 2.85 0.06 5.86 -1.08 0.27 -4.95 116.67 121.42 1k2n s ASP 683 Ca 0.01 -0.63 -0.20 0.00 -0.52 0.00 0.00 52.55 51.21 1k2n s ASP 683 Cb -0.13 -1.06 -0.11 0.00 -1.46 0.00 0.00 42.92 40.16 1k2n s ASP 683 CO -0.04 -0.13 1.46 0.11 0.52 0.00 0.00 175.17 177.09 1k2n h LYS 684 N 8.07 0.38 -0.13 4.34 1.79 -1.94 0.84 116.57 129.92 1k2n h LYS 684 Ca -0.30 -0.14 -0.22 0.00 -2.18 0.00 0.00 60.65 57.81 1k2n h LYS 684 Cb 1.12 -0.02 0.01 0.00 -1.58 0.00 0.00 32.23 31.76 1k2n h LYS 684 CO 0.46 0.63 -0.77 -0.91 -1.08 0.00 0.00 179.45 177.78 1k2n h ASN 685 N 0.10 0.90 0.59 0.86 4.21 -1.98 -3.20 115.58 117.05 1k2n h ASN 685 Ca 0.05 -0.64 0.00 0.00 1.21 0.00 0.00 56.30 56.92 1k2n h ASN 685 Cb 0.49 -0.27 0.00 0.00 -1.12 0.00 0.00 38.32 37.43 1k2n h ASN 685 CO 0.02 1.40 -0.37 0.59 -1.29 0.00 0.00 177.43 177.78 1k2n n ASN 686 N -3.98 0.42 -1.18 5.81 3.02 -1.24 -4.92 115.26 113.20 1k2n n ASN 686 Ca -0.08 -0.13 -0.15 0.00 -0.03 0.00 0.00 54.58 54.18 1k2n n ASN 686 Cb 0.74 0.08 -0.07 0.00 -0.61 0.00 0.00 39.78 39.92 1k2n n ASN 686 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1k2n n LYS 687 N -1.44 -1.54 -2.45 3.52 4.81 0.29 -4.90 118.16 116.44 1k2n n LYS 687 Ca 0.06 1.04 -0.42 0.00 -0.87 0.00 0.00 58.31 58.13 1k2n n LYS 687 Cb 0.33 -5.42 -0.03 0.00 0.02 0.00 0.00 35.03 29.94 1k2n n LYS 687 CO 0.00 0.00 0.00 0.12 1.17 0.00 0.00 177.40 178.69 1k2n s PHE 688 N -2.33 2.36 -0.15 5.64 2.19 -0.89 -4.82 117.98 119.97 1k2n s PHE 688 Ca 0.00 0.42 0.01 0.00 0.33 0.00 0.00 56.93 57.69 1k2n s PHE 688 Cb 0.00 -4.44 0.02 0.00 -1.31 0.00 0.00 43.02 37.29 1k2n s PHE 688 CO 0.00 -1.88 -0.18 0.54 1.83 0.00 0.00 175.22 175.52 1k2n s VAL 689 N 5.76 1.88 0.12 3.12 0.11 -1.26 0.94 120.40 131.07 1k2n s VAL 689 Ca 0.49 -0.84 0.06 0.00 -2.93 0.00 0.00 61.98 58.76 1k2n s VAL 689 Cb -0.10 -1.70 -0.04 0.00 -1.53 0.00 0.00 36.38 33.02 1k2n s VAL 689 CO 0.24 0.51 -0.15 -0.63 -3.33 0.00 0.00 175.10 171.74 1k2n s ILE 690 N 1.19 1.38 -0.30 7.04 1.01 0.19 -1.32 121.20 130.40 1k2n s ILE 690 Ca 0.01 -1.66 -0.22 0.00 0.00 0.00 0.00 60.65 58.77 1k2n s ILE 690 Cb -0.14 -1.50 0.20 0.00 0.01 0.00 0.00 42.46 41.04 1k2n s ILE 690 CO -0.09 -0.34 1.43 -0.83 0.00 0.00 0.00 174.94 175.11 1k2n s GLY 691 N -2.32 0.50 0.02 6.18 0.00 -1.26 -2.87 107.32 107.58 1k2n s GLY 691 Ca 0.08 3.72 0.05 0.00 0.00 0.00 0.00 44.72 48.56 1k2n s GLY 691 CO 0.03 2.20 -0.12 -1.36 0.00 0.00 0.00 173.10 173.85 1k2n s PHE 692 N 0.29 2.74 -0.31 1.90 0.08 0.13 -2.55 117.98 120.26 1k2n s PHE 692 Ca 0.03 -0.14 -0.12 0.00 0.12 0.00 0.00 56.93 56.83 1k2n s PHE 692 Cb -0.04 -1.54 -0.02 0.00 -0.57 0.00 0.00 43.02 40.84 1k2n s PHE 692 CO -0.15 0.32 0.20 0.21 -0.10 0.00 0.00 175.22 175.71 1k2n s LYS 693 N -1.46 3.59 -0.10 0.44 2.47 -1.07 -0.28 119.74 123.33 1k2n s LYS 693 Ca 0.16 -0.56 -0.30 0.00 -1.56 0.00 0.00 55.97 53.71 1k2n s LYS 693 Cb -0.11 -3.70 -0.01 0.00 -1.46 0.00 0.00 37.83 32.55 1k2n s LYS 693 CO 0.07 -0.36 1.02 0.08 0.16 0.00 0.00 175.35 176.32 1k2n s VAL 694 N 1.71 4.74 -0.21 4.02 1.01 0.41 -1.26 120.40 130.82 1k2n s VAL 694 Ca 0.06 2.01 -0.02 0.00 0.00 0.00 0.00 61.98 64.03 1k2n s VAL 694 Cb -0.17 -4.29 0.06 0.00 0.00 0.00 0.00 36.38 31.98 1k2n s VAL 694 CO 0.10 0.00 0.03 -1.61 0.00 0.00 0.00 175.10 173.62 1k2n s GLU 695 N 2.03 0.80 -0.57 2.72 2.02 0.43 0.17 118.70 126.31 1k2n s GLU 695 Ca 0.49 -0.56 -0.25 0.00 0.02 0.00 0.00 54.97 54.67 1k2n s GLU 695 Cb -0.19 -2.17 0.04 0.00 0.10 0.00 0.00 34.13 31.91 1k2n s GLU 695 CO 0.18 -0.67 1.03 0.42 0.02 0.00 0.00 175.26 176.24 1k2n s ILE 696 N 1.77 4.26 -0.16 -1.63 1.01 -1.26 0.43 121.20 125.63 1k2n s ILE 696 Ca -0.01 0.47 -0.17 0.00 0.00 0.00 0.00 60.65 60.94 1k2n s ILE 696 Cb -0.17 -4.61 -0.23 0.00 0.01 0.00 0.00 42.46 37.46 1k2n s ILE 696 CO -0.09 -1.21 0.37 0.78 0.00 0.00 0.00 174.94 174.79 1k2n h ASN 697 N 9.40 0.20 -3.70 3.58 -0.26 -1.53 -3.47 115.58 119.80 1k2n h ASN 697 Ca -0.26 -0.73 -0.68 0.00 -0.56 0.00 0.00 56.30 54.07 1k2n h ASN 697 Cb 1.07 -0.06 -0.20 0.00 -1.06 0.00 0.00 38.32 38.07 1k2n h ASN 697 CO 1.12 1.59 -0.70 -0.62 -1.06 0.00 0.00 177.43 177.76 1k2n s ASP 698 N -6.92 4.56 -0.37 5.81 2.15 -1.17 -5.05 116.67 115.68 1k2n s ASP 698 Ca -0.24 -0.05 -0.01 0.00 0.43 0.00 0.00 52.55 52.67 1k2n s ASP 698 Cb 0.05 -1.15 0.10 0.00 -0.30 0.00 0.00 42.92 41.62 1k2n s ASP 698 CO 0.68 0.35 0.13 0.42 -0.17 0.00 0.00 175.17 176.59 1k2n s THR 699 N -0.75 2.97 -0.47 1.71 -4.23 -1.26 -4.44 115.64 109.16 1k2n s THR 699 Ca 0.11 -2.02 -0.12 0.00 -1.18 0.00 0.00 61.69 58.47 1k2n s THR 699 Cb -0.11 -3.02 -0.12 0.00 1.34 0.00 0.00 72.50 70.59 1k2n s THR 699 CO 0.01 -0.57 1.68 1.07 -0.54 0.00 0.00 174.62 176.27 1k2n n THR 700 N 4.51 1.20 -3.84 3.99 5.66 -1.26 -4.17 114.28 120.37 1k2n n THR 700 Ca -0.02 -0.84 -0.24 0.00 -3.05 0.00 0.00 64.05 59.90 1k2n n THR 700 Cb 0.42 -1.98 0.01 0.00 -1.55 0.00 0.00 70.33 67.22 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 4.23 -0.29 3.72 1.09 0.00 -1.26 -4.94 105.19 107.73 1k2n n GLY 701 Ca 0.34 0.14 -0.23 0.00 0.00 0.00 0.00 46.02 46.27 1k2n n GLY 701 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1k2n s LEU 702 N -6.87 3.28 -0.22 0.99 0.05 -1.26 -4.58 118.68 110.06 1k2n s LEU 702 Ca 0.09 -0.71 -0.30 0.00 0.05 0.00 0.00 54.13 53.26 1k2n s LEU 702 Cb -0.05 -1.77 -0.07 0.00 -2.05 0.00 0.00 46.19 42.26 1k2n s LEU 702 CO 0.85 -0.20 2.20 0.33 -0.55 0.00 0.00 176.35 178.97 1k2n n PHE 703 N -1.09 1.94 0.00 3.48 7.35 -1.22 -4.30 117.46 123.61 1k2n n PHE 703 Ca -0.04 -0.06 0.00 0.00 -0.76 0.00 0.00 57.45 56.59 1k2n n PHE 703 Cb 0.60 -2.69 0.00 0.00 0.35 0.00 0.00 39.48 37.74 1k2n n PHE 703 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1k2n n ASN 704 N 10.98 0.00 0.00 -2.13 5.15 -1.26 -3.05 115.26 124.96 1k2n n ASN 704 Ca 0.31 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.29 1k2n n ASN 704 Cb 0.40 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.65 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 0.00 0.00 0.00 1.20 0.28 -1.26 -4.95 120.64 115.91 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 0.00 0.37 -1.84 0.00 -1.17 -4.68 105.19 97.87 1k2n n GLY 706 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 1k2n n GLY 706 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1k2n n LEU 707 N 0.00 1.09 0.00 0.99 4.32 -1.26 -1.63 117.00 120.51 1k2n n LEU 707 Ca 0.00 -0.51 0.00 0.00 -0.02 0.00 0.00 56.01 55.48 1k2n n LEU 707 Cb 0.00 -0.11 0.00 0.00 -1.62 0.00 0.00 43.42 41.69 1k2n n LEU 707 CO 0.00 0.26 0.00 0.61 -1.22 0.00 0.00 177.39 177.04 1k2n n GLY 708 N 0.90 1.95 2.70 -0.72 0.00 -1.26 -4.92 105.19 103.83 1k2n n GLY 708 Ca 0.10 -0.16 -0.01 0.00 0.00 0.00 0.00 46.02 45.95 1k2n n GLY 708 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1k2n n MET 709 N 0.00 -3.63 -1.12 1.61 0.00 -1.26 -5.06 117.12 107.65 1k2n n MET 709 Ca 0.00 2.87 0.00 0.00 0.00 0.00 0.00 57.70 60.57 1k2n n MET 709 Cb 0.00 -5.35 0.00 0.00 0.00 0.00 0.00 33.22 27.87 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 0.81 0.00 0.02 -0.89 -0.00 -1.26 -5.05 117.00 110.64 1k2n n LEU 710 Ca -0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 56.01 55.95 1k2n n LEU 710 Cb 0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.49 1k2n n LEU 710 CO 0.44 0.00 0.50 -0.61 -0.00 0.00 0.00 177.39 177.72 1k2n h GLN 711 N 0.00 -0.06 -6.76 1.47 -0.00 -2.03 -3.42 115.11 104.30 1k2n h GLN 711 Ca 0.00 0.00 -0.50 0.00 -0.00 0.00 0.00 58.65 58.15 1k2n h GLN 711 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 27.48 27.50 1k2n h GLN 711 CO 0.00 -0.04 0.43 -1.21 0.00 0.00 0.00 178.83 178.01 1k2n s GLU 712 N -3.16 4.71 -0.41 1.69 2.02 -1.26 -5.01 118.70 117.28 1k2n s GLU 712 Ca -0.01 1.67 -0.18 0.00 0.02 0.00 0.00 54.97 56.48 1k2n s GLU 712 Cb 0.00 -3.24 0.02 0.00 0.10 0.00 0.00 34.13 31.01 1k2n s GLU 712 CO 0.03 0.30 0.46 -0.65 0.02 0.00 0.00 175.26 175.43 1k2n s GLN 713 N -1.18 3.19 -0.54 1.61 -0.21 -1.26 -4.61 119.66 116.65 1k2n s GLN 713 Ca 0.44 -0.65 -0.16 0.00 0.02 0.00 0.00 55.36 55.01 1k2n s GLN 713 Cb -0.29 -3.94 0.02 0.00 1.00 0.00 0.00 33.01 29.80 1k2n s GLN 713 CO 0.37 -0.84 0.64 0.54 -2.12 0.00 0.00 175.29 173.88 1k2n n ARG 714 N 5.68 -1.97 -4.72 2.91 5.12 -1.26 -5.03 116.66 117.40 1k2n n ARG 714 Ca -0.06 1.69 -0.25 0.00 -1.93 0.00 0.00 57.85 57.30 1k2n n ARG 714 Cb 0.48 -4.51 -0.15 0.00 -1.16 0.00 0.00 32.46 27.12 1k2n n ARG 714 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1k2n s VAL 715 N -2.47 1.51 -0.07 1.55 -7.23 -1.26 -5.00 120.40 107.42 1k2n s VAL 715 Ca 0.20 -1.00 -0.25 0.00 -1.81 0.00 0.00 61.98 59.13 1k2n s VAL 715 Cb -0.04 -1.29 -0.03 0.00 0.56 0.00 0.00 36.38 35.57 1k2n s VAL 715 CO 0.80 0.27 0.76 0.54 -0.31 0.00 0.00 175.10 177.16 1k2n s VAL 716 N -0.65 5.00 0.42 1.32 0.11 -1.26 -4.51 120.40 120.83 1k2n s VAL 716 Ca 0.07 1.55 0.04 0.00 -2.93 0.00 0.00 61.98 60.71 1k2n s VAL 716 Cb -0.08 -4.09 0.00 0.00 -1.53 0.00 0.00 36.38 30.68 1k2n s VAL 716 CO 0.01 0.20 0.60 -0.76 -3.33 0.00 0.00 175.10 171.82 1k2n s LEU 717 N 1.05 3.69 0.16 2.54 1.43 0.34 -4.92 118.68 122.95 1k2n s LEU 717 Ca 0.40 -0.09 0.04 0.00 -1.03 0.00 0.00 54.13 53.45 1k2n s LEU 717 Cb -0.18 -2.85 -0.04 0.00 0.03 0.00 0.00 46.19 43.15 1k2n s LEU 717 CO 0.19 -0.71 0.20 -0.75 0.23 0.00 0.00 176.35 175.51 1k2n s LYS 718 N -4.42 3.13 0.38 1.70 2.20 -1.26 0.98 119.74 122.46 1k2n s LYS 718 Ca 0.50 -0.75 -0.09 0.00 -0.36 0.00 0.00 55.97 55.27 1k2n s LYS 718 Cb -0.10 -2.79 -0.06 0.00 -1.51 0.00 0.00 37.83 33.37 1k2n s LYS 718 CO 0.35 0.50 0.73 -0.65 -0.36 0.00 0.00 175.35 175.92 1k2n s GLN 719 N -3.14 3.75 0.35 4.03 -0.21 0.25 -4.53 119.66 120.16 1k2n s GLN 719 Ca 0.32 0.38 0.02 0.00 0.02 0.00 0.00 55.36 56.10 1k2n s GLN 719 Cb -0.11 -2.44 -0.01 0.00 1.00 0.00 0.00 33.01 31.46 1k2n s GLN 719 CO 0.26 0.01 0.07 0.25 -2.12 0.00 0.00 175.29 173.76 1k2n n THR 720 N -1.22 0.00 -0.04 -0.19 -2.24 -1.26 -4.89 114.28 104.45 1k2n n THR 720 Ca 0.02 -1.88 0.20 0.00 -2.27 0.00 0.00 64.05 60.13 1k2n n THR 720 Cb 0.54 0.55 0.67 0.00 -2.10 0.00 0.00 70.33 69.99 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 1.40 2.49 -0.20 6.98 0.00 -1.98 -0.78 119.26 127.16 1k2n h ALA 721 Ca -0.28 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1k2n h ALA 721 Cb 0.97 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1k2n h ALA 721 CO 0.46 -0.66 0.07 1.49 0.00 0.00 0.00 179.25 180.61 1k2n h GLU 722 N 0.05 0.30 -0.15 0.00 4.22 -2.00 -1.63 114.58 115.37 1k2n h GLU 722 Ca 0.28 -0.06 -0.03 0.00 0.08 0.00 0.00 59.36 59.63 1k2n h GLU 722 Cb 1.06 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 1k2n h GLU 722 CO -0.02 0.38 -0.02 0.93 -2.18 0.00 0.00 179.01 178.10 1k2n h GLU 723 N 0.16 0.28 -0.60 1.92 4.39 -1.57 -2.88 114.58 116.28 1k2n h GLU 723 Ca 0.07 -0.10 0.12 0.00 0.34 0.00 0.00 59.36 59.78 1k2n h GLU 723 Cb 0.20 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.79 1k2n h GLU 723 CO -0.00 0.54 0.41 -0.22 -1.16 0.00 0.00 179.01 178.58 1k2n h LYS 724 N -0.00 0.31 -0.39 2.33 3.64 -1.25 -0.44 116.57 120.76 1k2n h LYS 724 Ca 0.04 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.28 1k2n h LYS 724 Cb 0.43 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 1k2n h LYS 724 CO 0.01 0.21 -0.24 -0.44 -2.27 0.00 0.00 179.45 176.72 1k2n h ASP 725 N 0.32 0.81 -0.64 4.20 3.32 -1.09 -1.54 116.42 121.81 1k2n h ASP 725 Ca 0.28 -0.30 0.05 0.00 0.02 0.00 0.00 57.03 57.08 1k2n h ASP 725 Cb 0.68 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.96 1k2n h ASP 725 CO -0.07 1.01 0.37 -0.07 -1.72 0.00 0.00 179.24 178.77 1k2n h LEU 726 N 0.69 0.57 0.00 1.55 3.38 -0.89 -1.11 115.31 119.51 1k2n h LEU 726 Ca 0.09 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1k2n h LEU 726 Cb 0.76 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1k2n h LEU 726 CO 0.06 0.38 -0.01 1.62 0.09 0.00 0.00 178.44 180.58 1k2n h VAL 727 N 0.70 0.00 -0.31 1.22 3.04 -1.42 -3.28 116.25 116.20 1k2n h VAL 727 Ca 0.28 -0.59 -0.04 0.00 -1.01 0.00 0.00 66.70 65.33 1k2n h VAL 727 Cb 0.12 1.59 -0.01 0.00 -2.01 0.00 0.00 31.29 30.97 1k2n h VAL 727 CO -0.15 0.00 0.02 0.50 -1.01 0.00 0.00 177.57 176.93 1k2n h LYS 728 N 0.00 0.53 0.00 4.17 3.64 -0.14 -2.52 116.57 122.26 1k2n h LYS 728 Ca 0.00 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 1k2n h LYS 728 Cb 0.80 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 1k2n h LYS 728 CO 0.00 0.65 0.00 1.63 -2.27 0.00 0.00 179.45 179.46 1k2n n LYS 729 N -4.58 0.20 0.00 1.90 5.02 -1.08 -5.10 118.16 114.52 1k2n n LYS 729 Ca -0.02 0.36 0.00 0.00 -2.02 0.00 0.00 58.31 56.63 1k2n n LYS 729 Cb 0.24 -1.84 0.00 0.00 -0.02 0.00 0.00 35.03 33.42 1k2n n LYS 729 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77