#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 -0.26 -2.06 -3.38 115.58 111.49 1k2n h ASN 574 Ca 0.00 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.69 1k2n h ASN 574 Cb 0.00 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 37.21 1k2n h ASN 574 CO 0.00 0.04 0.06 0.61 -1.06 0.00 0.00 177.43 177.08 1k2n n GLY 575 N 0.00 -0.61 3.32 2.83 0.00 -1.26 -5.02 105.19 104.45 1k2n n GLY 575 Ca 0.00 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 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 0.03 2.86 -0.27 1.61 3.00 -1.26 0.17 118.95 125.09 1k2n s ARG 576 Ca 0.02 -1.02 -0.06 0.00 -1.00 0.00 0.00 55.73 53.67 1k2n s ARG 576 Cb 0.07 -3.47 -0.15 0.00 0.00 0.00 0.00 34.95 31.40 1k2n s ARG 576 CO -0.02 -0.57 -0.29 0.34 0.00 0.00 0.00 175.30 174.76 1k2n n PHE 577 N 4.87 0.02 -4.97 5.12 -0.00 -0.89 -2.73 117.46 118.88 1k2n n PHE 577 Ca -0.13 0.01 -0.31 0.00 -0.00 0.00 0.00 57.45 57.02 1k2n n PHE 577 Cb 0.46 -1.00 -0.14 0.00 -0.00 0.00 0.00 39.48 38.80 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 -7.04 2.29 -0.21 -2.13 2.96 -1.03 -1.22 118.68 112.29 1k2n s LEU 578 Ca -0.37 -0.48 0.02 0.00 -0.22 0.00 0.00 54.13 53.08 1k2n s LEU 578 Cb 0.12 -1.38 0.04 0.00 0.50 0.00 0.00 46.19 45.47 1k2n s LEU 578 CO 0.55 0.28 -0.16 -0.89 -1.32 0.00 0.00 176.35 174.81 1k2n s THR 579 N -0.77 2.05 -0.38 3.68 2.01 0.80 0.19 115.64 123.23 1k2n s THR 579 Ca 0.12 -1.20 -0.10 0.00 0.31 0.00 0.00 61.69 60.82 1k2n s THR 579 Cb -0.10 -1.99 0.04 0.00 0.01 0.00 0.00 72.50 70.45 1k2n s THR 579 CO 0.02 0.30 0.20 -0.76 -0.69 0.00 0.00 174.62 173.68 1k2n s LEU 580 N 1.23 4.73 -0.40 4.42 1.43 0.45 0.18 118.68 130.73 1k2n s LEU 580 Ca -0.01 -1.10 0.01 0.00 -1.03 0.00 0.00 54.13 52.01 1k2n s LEU 580 Cb -0.16 -2.00 0.11 0.00 0.03 0.00 0.00 46.19 44.17 1k2n s LEU 580 CO -0.10 -0.40 0.15 -1.59 0.23 0.00 0.00 176.35 174.64 1k2n s LYS 581 N 1.51 1.78 -0.86 1.70 -2.85 0.39 0.14 119.74 121.56 1k2n s LYS 581 Ca 0.01 -1.95 -0.28 0.00 -1.00 0.00 0.00 55.97 52.76 1k2n s LYS 581 Cb -0.20 -3.39 -0.19 0.00 -2.06 0.00 0.00 37.83 31.99 1k2n s LYS 581 CO 0.05 -1.02 2.58 -2.30 0.10 0.00 0.00 175.35 174.76 1k2n n PRO 582 N 4.26 0.30 -1.76 1.78 -0.02 0.12 -2.28 135.00 137.40 1k2n n PRO 582 Ca 0.02 -0.03 -0.32 0.00 -2.02 0.00 0.00 63.50 61.15 1k2n n PRO 582 Cb 0.41 -2.06 0.03 0.00 -0.02 0.00 0.00 33.50 31.86 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 9.44 3.28 0.54 2.45 2.34 -0.96 -1.81 118.68 133.96 1k2n s LEU 583 Ca 1.24 1.70 0.34 0.00 0.06 0.00 0.00 54.13 57.47 1k2n s LEU 583 Cb -0.90 -4.51 1.51 0.00 -0.56 0.00 0.00 46.19 41.73 1k2n s LEU 583 CO 0.42 -1.33 1.84 -0.65 -1.06 0.00 0.00 176.35 175.57 1k2n h PRO 584 N -0.25 0.00 0.00 1.48 0.11 -1.89 0.89 132.00 132.34 1k2n h PRO 584 Ca -0.45 0.00 -0.01 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 -0.06 -0.44 -0.21 0.00 0.00 178.00 177.86 1k2n h ASP 585 N 0.00 0.00 -3.01 -2.05 3.32 -1.92 -3.41 116.42 109.35 1k2n h ASP 585 Ca 0.49 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.99 1k2n h ASP 585 Cb 1.98 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 41.51 1k2n h ASP 585 CO -0.01 0.06 -0.29 -0.55 -1.72 0.00 0.00 179.24 176.73 1k2n s SER 586 N -6.13 6.43 0.30 6.45 0.15 0.31 -4.91 113.70 116.30 1k2n s SER 586 Ca -0.04 0.52 0.16 0.00 0.70 0.00 0.00 55.95 57.29 1k2n s SER 586 Cb 0.14 -2.06 0.90 0.00 -1.71 0.00 0.00 66.02 63.29 1k2n s SER 586 CO 0.56 -0.05 1.45 0.00 1.20 0.00 0.00 173.24 176.41 1k2n n ILE 587 N -0.51 0.90 -4.46 6.45 3.06 0.20 -4.39 119.36 120.62 1k2n n ILE 587 Ca -0.03 0.72 -0.34 0.00 -2.50 0.00 0.00 62.75 60.60 1k2n n ILE 587 Cb 0.53 -1.72 -0.13 0.00 0.54 0.00 0.00 39.64 38.85 1k2n n ILE 587 CO 0.00 0.00 0.00 -0.63 -2.50 0.00 0.00 176.55 173.42 1k2n s ILE 588 N -3.40 3.47 -0.68 9.51 1.01 -1.26 -5.03 121.20 124.82 1k2n s ILE 588 Ca -0.02 -0.50 0.03 0.00 0.00 0.00 0.00 60.65 60.16 1k2n s ILE 588 Cb 0.05 -2.51 0.36 0.00 0.01 0.00 0.00 42.46 40.36 1k2n s ILE 588 CO 0.15 0.49 1.34 0.00 0.00 0.00 0.00 174.94 176.93 1k2n n GLN 589 N 3.76 3.71 -4.52 2.79 3.00 -1.23 -3.33 117.38 121.56 1k2n n GLN 589 Ca -0.18 -4.53 -0.24 0.00 -0.01 0.00 0.00 57.00 52.03 1k2n n GLN 589 Cb 0.52 -2.30 -0.11 0.00 0.00 0.00 0.00 30.24 28.36 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 -3.77 1.79 -0.11 -1.09 2.02 -0.75 -4.98 118.70 111.80 1k2n s GLU 590 Ca 0.47 -2.01 -0.01 0.00 0.02 0.00 0.00 54.97 53.45 1k2n s GLU 590 Cb 0.31 -1.18 0.03 0.00 0.10 0.00 0.00 34.13 33.39 1k2n s GLU 590 CO -0.19 -0.14 -0.06 -1.54 0.02 0.00 0.00 175.26 173.34 1k2n s SER 591 N -3.58 2.14 0.05 -0.19 1.04 -1.26 0.16 113.70 112.05 1k2n s SER 591 Ca 0.35 -0.29 0.06 0.00 0.48 0.00 0.00 55.95 56.54 1k2n s SER 591 Cb 0.09 -0.79 -0.04 0.00 0.10 0.00 0.00 66.02 65.39 1k2n s SER 591 CO 0.16 -0.13 -0.11 -0.76 0.98 0.00 0.00 173.24 173.38 1k2n s LEU 592 N 1.74 2.97 -0.14 2.42 2.01 0.37 -4.94 118.68 123.11 1k2n s LEU 592 Ca 0.05 -0.30 0.01 0.00 0.01 0.00 0.00 54.13 53.89 1k2n s LEU 592 Cb -0.13 -1.74 0.02 0.00 0.01 0.00 0.00 46.19 44.35 1k2n s LEU 592 CO -0.08 0.24 -0.15 -1.61 1.01 0.00 0.00 176.35 175.76 1k2n s GLU 593 N -1.68 2.39 -0.45 1.70 8.01 -1.26 0.17 118.70 127.58 1k2n s GLU 593 Ca 0.18 -0.60 -0.29 0.00 0.01 0.00 0.00 54.97 54.27 1k2n s GLU 593 Cb -0.11 -2.12 0.01 0.00 -4.31 0.00 0.00 34.13 27.60 1k2n s GLU 593 CO 0.09 -0.18 1.38 0.42 0.01 0.00 0.00 175.26 176.97 1k2n s ILE 594 N 1.32 3.92 -0.18 -1.63 1.01 0.51 -4.95 121.20 121.20 1k2n s ILE 594 Ca 0.02 0.92 -0.29 0.00 0.00 0.00 0.00 60.65 61.30 1k2n s ILE 594 Cb -0.13 -4.29 -0.04 0.00 0.01 0.00 0.00 42.46 38.00 1k2n s ILE 594 CO -0.08 -0.86 1.80 -1.10 0.00 0.00 0.00 174.94 174.70 1k2n s GLN 595 N 4.97 3.71 0.46 2.79 -1.52 -1.26 -2.09 119.66 126.72 1k2n s GLN 595 Ca 0.58 1.89 0.33 0.00 -1.95 0.00 0.00 55.36 56.21 1k2n s GLN 595 Cb -0.12 -4.13 1.47 0.00 -0.22 0.00 0.00 33.01 30.00 1k2n s GLN 595 CO 0.31 -1.42 1.63 -0.56 -0.25 0.00 0.00 175.29 175.01 1k2n h GLN 596 N 11.64 0.08 0.00 2.91 3.07 0.14 1.74 115.11 134.69 1k2n h GLN 596 Ca -0.38 -0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.36 1k2n h GLN 596 Cb 1.18 -0.02 -0.00 0.00 0.08 0.00 0.00 27.48 28.73 1k2n h GLN 596 CO 0.98 0.05 -0.01 0.78 0.09 0.00 0.00 178.83 180.73 1k2n h GLY 597 N 0.08 0.00 -7.77 0.06 0.00 -1.87 -3.41 103.07 90.16 1k2n h GLY 597 Ca 0.81 0.00 -0.65 0.00 0.00 0.00 0.00 47.33 47.49 1k2n h GLY 597 CO -0.33 0.00 -0.53 0.14 0.00 0.00 0.00 176.54 175.82 1k2n s VAL 598 N -3.88 5.13 -0.04 4.60 1.01 0.59 -5.06 120.40 122.76 1k2n s VAL 598 Ca -0.01 0.01 -0.02 0.00 0.00 0.00 0.00 61.98 61.96 1k2n s VAL 598 Cb 0.11 -3.49 0.03 0.00 0.00 0.00 0.00 36.38 33.03 1k2n s VAL 598 CO 0.49 0.20 0.05 0.21 0.00 0.00 0.00 175.10 176.05 1k2n s ASN 599 N 1.72 0.99 0.43 3.32 2.47 -1.26 -4.01 114.94 118.60 1k2n s ASN 599 Ca 0.07 0.06 -0.03 0.00 0.42 0.00 0.00 52.86 53.38 1k2n s ASN 599 Cb -0.16 -0.15 -0.03 0.00 -1.45 0.00 0.00 41.25 39.46 1k2n s ASN 599 CO 0.10 -0.23 0.69 -2.16 -3.72 0.00 0.00 177.10 171.78 1k2n s PRO 600 N 1.97 3.47 -0.35 0.43 0.04 -1.26 -5.02 135.00 134.27 1k2n s PRO 600 Ca 0.03 -0.06 -0.20 0.00 0.04 0.00 0.00 61.00 60.81 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 0.62 0.12 0.04 0.00 0.00 177.00 177.66 1k2n s PHE 601 N -2.57 3.16 0.00 0.56 5.36 0.35 -4.89 117.98 119.95 1k2n s PHE 601 Ca 0.45 0.33 -0.17 0.00 -0.96 0.00 0.00 56.93 56.59 1k2n s PHE 601 Cb -0.10 -3.09 -0.06 0.00 -0.34 0.00 0.00 43.02 39.43 1k2n s PHE 601 CO 0.41 -0.60 0.47 -0.06 -1.46 0.00 0.00 175.22 173.98 1k2n s PHE 602 N 2.65 3.71 0.04 10.12 0.08 -1.26 0.12 117.98 133.44 1k2n s PHE 602 Ca 0.23 1.06 0.06 0.00 0.12 0.00 0.00 56.93 58.41 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 1.45 -4.92 0.64 1.09 0.13 0.16 121.20 118.97 1k2n s ILE 603 Ca 0.26 -1.11 0.00 0.00 -1.10 0.00 0.00 60.65 58.70 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 0.14 0.00 0.61 -0.10 0.00 0.00 174.94 175.73 1k2n n GLY 604 N 1.90 -0.98 0.15 6.18 0.00 -1.14 -2.58 105.19 108.72 1k2n n GLY 604 Ca -0.17 -1.17 -0.11 0.00 0.00 0.00 0.00 46.02 44.56 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 -0.26 -6.68 1.61 3.08 0.20 0.86 114.38 113.18 1k2n h ARG 605 Ca 0.00 0.02 -0.52 0.00 0.07 0.00 0.00 59.98 59.55 1k2n h ARG 605 Cb 0.00 0.06 0.06 0.00 0.08 0.00 0.00 29.97 30.17 1k2n h ARG 605 CO 0.00 0.13 0.99 -1.12 -1.07 0.00 0.00 179.97 178.90 1k2n s SER 606 N -5.36 6.38 0.62 7.04 0.01 -1.18 -4.53 113.70 116.69 1k2n s SER 606 Ca -0.13 2.88 0.35 0.00 1.31 0.00 0.00 55.95 60.36 1k2n s SER 606 Cb 0.01 -2.61 1.93 0.00 0.21 0.00 0.00 66.02 65.56 1k2n s SER 606 CO 0.49 -0.96 2.08 -0.08 0.41 0.00 0.00 173.24 175.18 1k2n h GLU 607 N 6.49 0.00 -0.65 12.44 4.22 -1.89 -0.67 114.58 134.51 1k2n h GLU 607 Ca -0.44 0.00 0.18 0.00 0.08 0.00 0.00 59.36 59.19 1k2n h GLU 607 Cb 1.20 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.43 1k2n h GLU 607 CO 0.93 0.00 0.46 -0.44 -2.18 0.00 0.00 179.01 177.79 1k2n h ASP 608 N 0.00 0.03 -3.24 1.04 3.32 -1.92 -3.40 116.42 112.25 1k2n h ASP 608 Ca 0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 1k2n h ASP 608 Cb 0.30 -0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.86 1k2n h ASP 608 CO 0.00 0.01 0.57 0.00 -1.72 0.00 0.00 179.24 178.11 1k2n h ASN 610 N 6.43 0.00 -3.72 0.00 2.35 -0.37 -3.37 115.58 116.90 1k2n h ASN 610 Ca -0.42 0.00 -0.68 0.00 -0.55 0.00 0.00 56.30 54.64 1k2n h ASN 610 Cb 1.21 0.00 -0.19 0.00 0.05 0.00 0.00 38.32 39.39 1k2n h ASN 610 CO 0.80 0.00 -0.71 0.00 -1.65 0.00 0.00 177.43 175.87 1k2n s LYS 612 N -1.02 2.46 -0.18 0.00 2.36 -1.26 -2.90 119.74 119.20 1k2n s LYS 612 Ca 0.14 -1.35 -0.04 0.00 -2.55 0.00 0.00 55.97 52.16 1k2n s LYS 612 Cb -0.11 -3.45 0.06 0.00 -1.05 0.00 0.00 37.83 33.28 1k2n s LYS 612 CO 0.03 -0.76 0.07 0.42 1.55 0.00 0.00 175.35 176.66 1k2n s ILE 613 N 1.32 0.09 -0.46 5.43 -1.09 0.30 -4.93 121.20 121.86 1k2n s ILE 613 Ca -0.00 -0.28 -0.15 0.00 -2.23 0.00 0.00 60.65 57.99 1k2n s ILE 613 Cb -0.21 -0.71 0.06 0.00 -1.58 0.00 0.00 42.46 40.03 1k2n s ILE 613 CO 0.00 -0.26 0.37 -1.61 -1.23 0.00 0.00 174.94 172.21 1k2n s GLU 614 N 2.06 2.95 -0.23 2.79 2.02 -1.26 -0.63 118.70 126.39 1k2n s GLU 614 Ca 0.01 -1.30 -0.01 0.00 0.02 0.00 0.00 54.97 53.69 1k2n s GLU 614 Cb -0.16 -4.07 0.07 0.00 0.10 0.00 0.00 34.13 30.06 1k2n s GLU 614 CO -0.09 -0.97 0.01 0.34 0.02 0.00 0.00 175.26 174.57 1k2n s ASP 615 N 2.39 3.50 0.51 -0.19 2.15 -1.26 -5.00 116.67 118.77 1k2n s ASP 615 Ca 0.04 -1.12 0.42 0.00 0.43 0.00 0.00 52.55 52.32 1k2n s ASP 615 Cb -0.23 -0.90 1.63 0.00 -0.30 0.00 0.00 42.92 43.12 1k2n s ASP 615 CO 0.07 -0.30 1.58 -0.55 -0.17 0.00 0.00 175.17 175.80 1k2n h ASN 616 N 8.09 0.09 0.30 -0.34 -1.07 -1.98 1.09 115.58 121.75 1k2n h ASN 616 Ca -0.16 0.07 -0.29 0.00 0.07 0.00 0.00 56.30 55.99 1k2n h ASN 616 Cb 1.08 0.07 0.02 0.00 -2.07 0.00 0.00 38.32 37.42 1k2n h ASN 616 CO 0.39 -0.12 -1.22 0.03 0.07 0.00 0.00 177.43 176.59 1k2n h ARG 617 N 0.00 0.50 -5.56 4.14 3.08 -2.01 -3.44 114.38 111.10 1k2n h ARG 617 Ca 0.91 -0.69 -0.61 0.00 0.07 0.00 0.00 59.98 59.66 1k2n h ARG 617 Cb 3.35 0.23 -0.11 0.00 0.08 0.00 0.00 29.97 33.52 1k2n h ARG 617 CO -0.22 1.30 0.21 -0.48 -1.07 0.00 0.00 179.97 179.72 1k2n s LEU 618 N -7.65 4.07 1.05 3.04 2.34 0.38 -4.64 118.68 117.27 1k2n s LEU 618 Ca -0.07 0.76 -0.20 0.00 0.06 0.00 0.00 54.13 54.68 1k2n s LEU 618 Cb 0.06 -2.91 -0.00 0.00 -0.56 0.00 0.00 46.19 42.78 1k2n s LEU 618 CO 0.91 -0.39 -0.39 -1.54 -1.06 0.00 0.00 176.35 173.88 1k2n n SER 619 N 5.75 -2.81 -0.19 1.48 3.41 -1.26 -4.33 113.62 115.68 1k2n n SER 619 Ca 0.00 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.71 1k2n n SER 619 Cb 0.49 -0.87 0.39 0.00 -0.26 0.00 0.00 64.21 63.96 1k2n n SER 619 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1k2n h ARG 620 N -1.64 0.64 -2.06 4.33 -0.00 -1.92 -2.44 114.38 111.28 1k2n h ARG 620 Ca -0.48 -0.04 -0.56 0.00 -0.50 0.00 0.00 59.98 58.40 1k2n h ARG 620 Cb 1.35 -0.14 -0.42 0.00 0.00 0.00 0.00 29.97 30.76 1k2n h ARG 620 CO 0.32 0.42 -0.77 0.28 0.00 0.00 0.00 179.97 180.23 1k2n n VAL 621 N -4.50 2.36 -0.18 2.04 0.31 -1.26 -1.54 118.33 115.56 1k2n n VAL 621 Ca 0.12 -5.22 -0.00 0.00 -0.01 0.00 0.00 64.34 59.23 1k2n n VAL 621 Cb 0.33 -1.11 0.08 0.00 -0.91 0.00 0.00 33.84 32.23 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 2.92 -0.05 -2.65 3.52 2.76 -1.17 -3.39 115.15 117.08 1k2n h HIS 622 Ca 0.14 0.04 -0.04 0.00 -2.20 0.00 0.00 60.37 58.32 1k2n h HIS 622 Cb 0.67 0.11 -0.15 0.00 1.55 0.00 0.00 27.41 29.60 1k2n h HIS 622 CO 0.76 -0.15 0.17 0.00 -1.30 0.00 0.00 177.93 177.42 1k2n s PHE 624 N -2.73 0.08 -0.18 0.00 -0.12 0.13 0.18 117.98 115.32 1k2n s PHE 624 Ca -0.04 -0.19 -0.08 0.00 -0.05 0.00 0.00 56.93 56.58 1k2n s PHE 624 Cb -0.01 -0.07 -0.04 0.00 -0.63 0.00 0.00 43.02 42.27 1k2n s PHE 624 CO -0.04 -0.25 0.08 0.42 -0.05 0.00 0.00 175.22 175.38 1k2n s ILE 625 N -1.31 4.98 -0.06 -4.49 1.01 0.32 0.24 121.20 121.88 1k2n s ILE 625 Ca -0.14 0.03 0.05 0.00 0.00 0.00 0.00 60.65 60.59 1k2n s ILE 625 Cb -0.08 -3.25 -0.00 0.00 0.01 0.00 0.00 42.46 39.14 1k2n s ILE 625 CO 0.01 0.46 -0.21 0.12 0.00 0.00 0.00 174.94 175.32 1k2n s PHE 626 N 0.31 2.15 -0.12 3.97 5.36 0.50 0.13 117.98 130.29 1k2n s PHE 626 Ca 0.05 -0.71 -0.10 0.00 -0.96 0.00 0.00 56.93 55.21 1k2n s PHE 626 Cb -0.12 -1.44 -0.05 0.00 -0.34 0.00 0.00 43.02 41.08 1k2n s PHE 626 CO -0.00 -0.26 0.21 0.21 -1.46 0.00 0.00 175.22 173.92 1k2n s LYS 627 N 0.09 3.76 0.12 10.12 2.20 -1.26 0.17 119.74 134.94 1k2n s LYS 627 Ca -0.08 -0.02 0.03 0.00 -0.36 0.00 0.00 55.97 55.54 1k2n s LYS 627 Cb -0.14 -3.27 -0.04 0.00 -1.51 0.00 0.00 37.83 32.87 1k2n s LYS 627 CO 0.04 0.61 -0.09 0.21 -0.36 0.00 0.00 175.35 175.76 1k2n s LYS 628 N -0.60 0.93 -0.36 4.03 2.36 0.28 -4.92 119.74 121.46 1k2n s LYS 628 Ca 0.16 -1.34 -0.29 0.00 -2.55 0.00 0.00 55.97 51.95 1k2n s LYS 628 Cb -0.13 -0.47 0.01 0.00 -1.05 0.00 0.00 37.83 36.19 1k2n s LYS 628 CO 0.05 0.05 1.30 0.50 1.55 0.00 0.00 175.35 178.79 1k2n s ARG 629 N -3.51 3.78 -0.11 4.03 6.06 -1.26 0.23 118.95 128.17 1k2n s ARG 629 Ca 0.12 1.03 -0.29 0.00 -2.50 0.00 0.00 55.73 54.09 1k2n s ARG 629 Cb 0.02 -3.92 -0.01 0.00 0.06 0.00 0.00 34.95 31.09 1k2n s ARG 629 CO -0.01 -1.29 0.98 -1.58 -2.50 0.00 0.00 175.30 170.89 1k2n s HIS 630 N 4.69 3.50 0.17 5.12 5.65 0.52 -4.85 115.29 130.09 1k2n s HIS 630 Ca 0.56 1.54 0.05 0.00 0.25 0.00 0.00 55.06 57.46 1k2n s HIS 630 Cb -0.14 -3.16 -0.05 0.00 -1.18 0.00 0.00 32.58 28.06 1k2n s HIS 630 CO 0.27 -0.22 -0.10 0.00 -0.65 0.00 0.00 174.74 174.04 1k2n s ALA 631 N 2.00 1.62 0.41 1.58 0.00 -1.26 -0.99 121.76 125.12 1k2n s ALA 631 Ca 0.47 -1.57 0.05 0.00 0.00 0.00 0.00 51.96 50.91 1k2n s ALA 631 Cb -0.18 0.08 -0.02 0.00 0.00 0.00 0.00 23.12 23.00 1k2n s ALA 631 CO 0.17 -0.08 0.16 0.14 0.00 0.00 0.00 175.76 176.15 1k2n s VAL 632 N -3.26 0.44 0.00 0.00 -7.23 -1.13 -4.95 120.40 104.27 1k2n s VAL 632 Ca 0.19 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.36 1k2n s VAL 632 Cb 0.02 -2.33 0.00 0.00 0.56 0.00 0.00 36.38 34.64 1k2n s VAL 632 CO 0.03 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.43 1k2n n GLY 633 N -0.90 1.58 3.63 2.32 0.00 -1.26 -4.98 105.19 105.58 1k2n n GLY 633 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 1k2n n GLY 633 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k2n s LYS 634 N 0.32 2.72 0.13 1.61 1.02 -1.26 -5.09 119.74 119.20 1k2n s LYS 634 Ca 0.00 -0.61 0.11 0.00 0.02 0.00 0.00 55.97 55.48 1k2n s LYS 634 Cb 0.00 -2.61 -0.04 0.00 -0.52 0.00 0.00 37.83 34.66 1k2n s LYS 634 CO 0.00 0.63 -0.26 -1.54 -0.92 0.00 0.00 175.35 173.27 1k2n s SER 635 N -1.26 3.22 -0.10 2.83 1.04 -1.26 -5.10 113.70 113.06 1k2n s SER 635 Ca 0.16 -0.75 -0.01 0.00 0.48 0.00 0.00 55.95 55.83 1k2n s SER 635 Cb -0.11 -0.21 0.03 0.00 0.10 0.00 0.00 66.02 65.83 1k2n s SER 635 CO 0.06 0.16 -0.03 -0.32 0.98 0.00 0.00 173.24 174.09 1k2n s MET 636 N -2.10 1.01 0.00 4.02 1.75 -1.26 -4.93 119.30 117.79 1k2n s MET 636 Ca 0.14 -0.11 0.00 0.00 -1.25 0.00 0.00 55.69 54.46 1k2n s MET 636 Cb -0.10 -1.36 0.00 0.00 2.84 0.00 0.00 34.83 36.21 1k2n s MET 636 CO 0.06 -0.33 0.00 0.98 -0.65 0.00 0.00 175.02 175.08 1k2n n TYR 637 N 5.05 0.00 -2.55 4.11 4.19 -1.26 -4.83 117.16 121.87 1k2n n TYR 637 Ca -0.10 0.00 -0.40 0.00 3.31 0.00 0.00 57.90 60.71 1k2n n TYR 637 Cb 0.50 0.00 -0.05 0.00 0.49 0.00 0.00 39.34 40.28 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 4.69 -0.52 2.98 0.41 -1.26 -5.01 118.70 119.99 1k2n s GLU 638 Ca 0.00 1.71 -0.15 0.00 -0.41 0.00 0.00 54.97 56.12 1k2n s GLU 638 Cb 0.00 -3.22 0.12 0.00 -1.78 0.00 0.00 34.13 29.24 1k2n s GLU 638 CO 0.00 0.28 0.46 -1.12 -0.49 0.00 0.00 175.26 174.39 1k2n s SER 639 N -0.87 6.12 0.51 -0.19 0.01 -1.26 -4.85 113.70 113.16 1k2n s SER 639 Ca 0.44 -1.71 0.00 0.00 1.31 0.00 0.00 55.95 55.99 1k2n s SER 639 Cb -0.30 -2.18 0.00 0.00 0.21 0.00 0.00 66.02 63.75 1k2n s SER 639 CO 0.38 -0.80 0.00 -0.81 0.41 0.00 0.00 173.24 172.43 1k2n n PRO 640 N 5.20 0.29 -0.24 12.44 -0.04 -1.26 -4.87 135.00 146.52 1k2n n PRO 640 Ca -0.13 0.00 0.29 0.00 -0.04 0.00 0.00 63.50 63.62 1k2n n PRO 640 Cb 0.41 0.00 0.68 0.00 -0.04 0.00 0.00 33.50 34.55 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 2.78 -0.87 0.55 0.00 -1.97 -3.44 119.26 114.30 1k2n h ALA 641 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1k2n h ALA 641 Cb 0.00 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1k2n h ALA 641 CO 0.00 -1.08 0.00 1.04 0.00 0.00 0.00 179.25 179.21 1k2n n GLN 642 N -4.32 0.00 -2.75 0.00 1.13 -1.26 -2.93 117.38 107.24 1k2n n GLN 642 Ca 0.21 0.00 -0.09 0.00 -1.94 0.00 0.00 57.00 55.18 1k2n n GLN 642 Cb 1.00 0.00 0.08 0.00 0.11 0.00 0.00 30.24 31.43 1k2n n GLN 642 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1k2n n GLY 643 N 0.00 0.64 0.00 1.08 0.00 -1.22 -2.83 105.19 102.86 1k2n n GLY 643 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 0.58 0.00 -4.41 0.99 4.77 -0.16 -4.81 117.00 113.96 1k2n n LEU 644 Ca 0.07 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.76 1k2n n LEU 644 Cb 0.69 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.65 1k2n n LEU 644 CO 0.05 0.00 -0.54 -1.81 -1.33 0.00 0.00 177.39 173.75 1k2n s ASP 645 N -0.58 3.46 -0.01 -1.43 1.11 -1.26 0.19 116.67 118.14 1k2n s ASP 645 Ca 0.00 -0.64 0.03 0.00 0.18 0.00 0.00 52.55 52.12 1k2n s ASP 645 Cb 0.00 -0.35 -0.00 0.00 1.07 0.00 0.00 42.92 43.64 1k2n s ASP 645 CO 0.00 0.21 -0.10 -1.81 1.18 0.00 0.00 175.17 174.65 1k2n s ASP 646 N -1.81 1.18 -0.28 0.27 1.11 0.64 -3.84 116.67 113.94 1k2n s ASP 646 Ca 0.14 -0.18 -0.15 0.00 0.18 0.00 0.00 52.55 52.54 1k2n s ASP 646 Cb -0.10 -0.20 -0.03 0.00 1.07 0.00 0.00 42.92 43.66 1k2n s ASP 646 CO 0.06 0.10 0.37 0.27 1.18 0.00 0.00 175.17 177.15 1k2n s ILE 647 N -0.08 5.17 -0.16 0.77 -4.36 -1.26 0.10 121.20 121.38 1k2n s ILE 647 Ca 0.01 0.46 -0.07 0.00 -0.26 0.00 0.00 60.65 60.80 1k2n s ILE 647 Cb -0.06 -3.72 -0.04 0.00 1.25 0.00 0.00 42.46 39.89 1k2n s ILE 647 CO -0.00 0.11 0.06 0.26 0.24 0.00 0.00 174.94 175.61 1k2n s TRP 648 N 2.06 3.28 -0.33 1.37 0.52 0.45 -1.53 118.94 124.77 1k2n s TRP 648 Ca 0.14 0.15 -0.20 0.00 0.02 0.00 0.00 56.10 56.21 1k2n s TRP 648 Cb -0.16 -2.02 -0.00 0.00 -1.15 0.00 0.00 33.47 30.14 1k2n s TRP 648 CO 0.10 0.27 0.62 -0.47 0.02 0.00 0.00 176.95 177.50 1k2n s TYR 649 N 0.01 3.19 -0.03 -1.98 5.04 0.48 0.19 117.35 124.25 1k2n s TYR 649 Ca 0.06 0.47 -0.07 0.00 -2.44 0.00 0.00 57.07 55.09 1k2n s TYR 649 Cb -0.12 -3.04 -0.05 0.00 0.35 0.00 0.00 41.96 39.10 1k2n s TYR 649 CO 0.01 -0.54 0.24 0.00 -1.34 0.00 0.00 175.55 173.92 1k2n s HIS 651 N -1.21 1.99 0.00 0.00 2.46 0.09 0.17 115.29 118.79 1k2n s HIS 651 Ca 0.24 -0.81 0.00 0.00 0.47 0.00 0.00 55.06 54.96 1k2n s HIS 651 Cb -0.13 -1.39 0.00 0.00 -0.13 0.00 0.00 32.58 30.93 1k2n s HIS 651 CO 0.13 -0.37 0.53 0.25 -2.47 0.00 0.00 174.74 172.81 1k2n n THR 652 N 3.75 0.28 -2.70 0.89 -2.24 0.89 0.92 114.28 116.07 1k2n n THR 652 Ca -0.21 -0.42 -0.34 0.00 -2.27 0.00 0.00 64.05 60.81 1k2n n THR 652 Cb 0.52 1.08 -0.06 0.00 -2.10 0.00 0.00 70.33 69.78 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 -0.28 2.50 0.25 3.38 0.00 0.62 -4.83 107.32 108.97 1k2n s GLY 653 Ca 0.00 0.51 0.12 0.00 0.00 0.00 0.00 44.72 45.35 1k2n s GLY 653 CO 0.00 0.83 1.52 0.00 0.00 0.00 0.00 173.10 175.45 1k2n h THR 654 N 1.90 1.30 0.00 0.90 1.03 -1.88 -3.11 112.91 113.04 1k2n h THR 654 Ca -0.49 -2.38 0.00 0.00 -0.01 0.00 0.00 66.41 63.53 1k2n h THR 654 Cb 1.20 2.35 0.00 0.00 -1.07 0.00 0.00 68.15 70.62 1k2n h THR 654 CO 0.61 0.64 0.00 0.59 -0.01 0.00 0.00 175.52 177.35 1k2n n ASN 655 N -3.51 0.00 -1.80 0.00 4.13 -1.26 -4.93 115.26 107.88 1k2n n ASN 655 Ca -0.00 -0.70 0.00 0.00 1.68 0.00 0.00 54.58 55.56 1k2n n ASN 655 Cb 0.71 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.95 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 -1.00 -4.95 -3.72 2.41 3.14 -1.18 -4.80 118.33 108.23 1k2n n VAL 656 Ca 0.17 2.29 -0.21 0.00 -2.96 0.00 0.00 64.34 63.63 1k2n n VAL 656 Cb 0.08 -3.01 -0.03 0.00 -1.06 0.00 0.00 33.84 29.81 1k2n n VAL 656 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1k2n s SER 657 N -2.36 5.39 -0.08 6.55 0.15 -0.32 -4.57 113.70 118.46 1k2n s SER 657 Ca 0.00 -0.46 -0.01 0.00 0.70 0.00 0.00 55.95 56.18 1k2n s SER 657 Cb 0.00 -0.98 0.03 0.00 -1.71 0.00 0.00 66.02 63.36 1k2n s SER 657 CO 0.00 -0.40 -0.01 -0.31 1.20 0.00 0.00 173.24 173.72 1k2n s TYR 658 N -2.30 0.79 -0.54 3.44 1.51 0.47 0.16 117.35 120.88 1k2n s TYR 658 Ca 0.42 -0.25 -0.16 0.00 -1.01 0.00 0.00 57.07 56.07 1k2n s TYR 658 Cb -0.06 -0.86 0.12 0.00 -0.11 0.00 0.00 41.96 41.04 1k2n s TYR 658 CO 0.28 -0.35 0.52 -1.17 -1.11 0.00 0.00 175.55 173.71 1k2n s LEU 659 N 1.91 6.04 0.00 -1.29 2.96 0.42 0.21 118.68 128.93 1k2n s LEU 659 Ca 0.05 -1.70 0.00 0.00 -0.22 0.00 0.00 54.13 52.25 1k2n s LEU 659 Cb -0.12 -2.22 0.00 0.00 0.50 0.00 0.00 46.19 44.35 1k2n s LEU 659 CO -0.06 -0.87 0.00 0.59 -1.32 0.00 0.00 176.35 174.69 1k2n n ASN 660 N 5.38 0.00 0.00 3.68 5.03 -1.14 -0.17 115.26 128.04 1k2n n ASN 660 Ca -0.13 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.32 1k2n n ASN 660 Cb 0.41 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.17 1k2n n ASN 660 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1k2n n ASN 661 N 1.56 0.36 -4.53 6.41 5.15 -1.26 -5.03 115.26 117.92 1k2n n ASN 661 Ca 0.00 -0.94 -0.36 0.00 -0.60 0.00 0.00 54.58 52.67 1k2n n ASN 661 Cb 0.00 0.03 -0.11 0.00 -0.53 0.00 0.00 39.78 39.16 1k2n n ASN 661 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1k2n s ASN 662 N -0.03 5.47 0.38 1.20 -0.87 0.77 -5.08 114.94 116.78 1k2n s ASN 662 Ca 0.00 -0.09 -0.27 0.00 -1.57 0.00 0.00 52.86 50.93 1k2n s ASN 662 Cb 0.00 -1.98 -0.09 0.00 -0.02 0.00 0.00 41.25 39.16 1k2n s ASN 662 CO 0.00 0.01 1.29 -0.60 -2.57 0.00 0.00 177.10 175.23 1k2n s ARG 663 N 1.35 4.12 -0.37 -0.60 3.52 -1.26 -0.44 118.95 125.28 1k2n s ARG 663 Ca 0.06 2.15 -0.01 0.00 -0.13 0.00 0.00 55.73 57.79 1k2n s ARG 663 Cb -0.15 -2.87 0.09 0.00 -1.56 0.00 0.00 34.95 30.47 1k2n s ARG 663 CO 0.05 -0.36 0.12 -1.64 -0.81 0.00 0.00 175.30 172.66 1k2n s MET 664 N -2.07 2.01 0.23 5.12 -1.94 0.42 -4.85 119.30 118.21 1k2n s MET 664 Ca 0.54 -1.69 -0.15 0.00 -1.71 0.00 0.00 55.69 52.68 1k2n s MET 664 Cb -0.38 -3.41 -0.08 0.00 2.01 0.00 0.00 34.83 32.97 1k2n s MET 664 CO 0.49 -0.94 0.64 0.96 -0.01 0.00 0.00 175.02 176.17 1k2n s ILE 665 N 1.12 4.76 -0.85 2.53 -4.36 -1.26 -1.17 121.20 121.97 1k2n s ILE 665 Ca 0.05 0.88 -0.23 0.00 -0.26 0.00 0.00 60.65 61.09 1k2n s ILE 665 Cb -0.21 -3.70 -0.20 0.00 1.25 0.00 0.00 42.46 39.59 1k2n s ILE 665 CO -0.04 0.05 2.45 1.67 0.24 0.00 0.00 174.94 179.30 1k2n n GLN 666 N 0.26 0.33 0.00 0.37 7.27 -1.26 -1.89 117.38 122.46 1k2n n GLN 666 Ca -0.01 -0.15 0.00 0.00 0.07 0.00 0.00 57.00 56.91 1k2n n GLN 666 Cb 0.52 -2.19 0.00 0.00 2.41 0.00 0.00 30.24 30.98 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 6.18 1.07 3.15 1.69 0.00 0.26 -4.92 105.19 112.62 1k2n n GLY 667 Ca 0.57 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.49 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 0.38 -0.02 2.61 -4.23 -0.79 -0.09 115.64 111.50 1k2n s THR 668 Ca 0.00 -1.89 0.01 0.00 -1.18 0.00 0.00 61.69 58.63 1k2n s THR 668 Cb 0.00 -1.78 0.01 0.00 1.34 0.00 0.00 72.50 72.07 1k2n s THR 668 CO 0.00 -0.76 -0.04 -1.59 -0.54 0.00 0.00 174.62 171.69 1k2n s LYS 669 N -3.93 0.54 0.02 3.99 -2.85 0.30 -0.73 119.74 117.08 1k2n s LYS 669 Ca 0.15 -0.13 0.06 0.00 -1.00 0.00 0.00 55.97 55.04 1k2n s LYS 669 Cb 0.07 -0.56 -0.02 0.00 -2.06 0.00 0.00 37.83 35.26 1k2n s LYS 669 CO -0.04 0.03 -0.17 0.12 0.10 0.00 0.00 175.35 175.39 1k2n s PHE 670 N 0.32 1.53 0.24 1.78 2.19 0.77 0.76 117.98 125.57 1k2n s PHE 670 Ca -0.04 -0.34 -0.30 0.00 0.33 0.00 0.00 56.93 56.59 1k2n s PHE 670 Cb -0.07 -0.93 -0.09 0.00 -1.31 0.00 0.00 43.02 40.61 1k2n s PHE 670 CO -0.00 0.04 1.27 -0.51 1.83 0.00 0.00 175.22 177.84 1k2n s LEU 671 N -0.91 4.44 -0.03 6.12 1.43 -1.26 0.18 118.68 128.65 1k2n s LEU 671 Ca 0.05 2.43 -0.06 0.00 -1.03 0.00 0.00 54.13 55.52 1k2n s LEU 671 Cb -0.08 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.48 1k2n s LEU 671 CO 0.01 -0.46 0.22 -0.76 0.23 0.00 0.00 176.35 175.59 1k2n s LEU 672 N -0.70 4.38 0.00 1.79 1.43 -0.58 -4.86 118.68 120.15 1k2n s LEU 672 Ca 0.53 0.50 0.08 0.00 -1.03 0.00 0.00 54.13 54.21 1k2n s LEU 672 Cb -0.36 -2.49 -0.02 0.00 0.03 0.00 0.00 46.19 43.34 1k2n s LEU 672 CO 0.42 0.30 -0.24 -1.10 0.23 0.00 0.00 176.35 175.96 1k2n s GLN 673 N -1.57 2.05 -0.83 1.70 -0.21 -1.13 -4.20 119.66 115.46 1k2n s GLN 673 Ca 0.24 -0.97 -0.25 0.00 0.02 0.00 0.00 55.36 54.40 1k2n s GLN 673 Cb -0.13 -2.07 -0.19 0.00 1.00 0.00 0.00 33.01 31.62 1k2n s GLN 673 CO 0.13 0.55 2.48 -3.47 -2.12 0.00 0.00 175.29 172.86 1k2n n ASP 674 N 2.13 0.70 0.00 5.90 2.03 -1.26 0.96 116.55 127.01 1k2n n ASP 674 Ca -0.16 -0.37 0.00 0.00 0.52 0.00 0.00 54.79 54.77 1k2n n ASP 674 Cb 0.52 -1.13 0.00 0.00 -0.72 0.00 0.00 41.12 39.79 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 6.21 1.74 3.59 0.27 0.00 0.57 -4.88 105.19 112.70 1k2n n GLY 675 Ca 0.56 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.16 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 6.58 -0.44 1.61 2.15 0.27 -4.72 116.67 120.12 1k2n s ASP 676 Ca 0.00 0.41 -0.18 0.00 0.43 0.00 0.00 52.55 53.21 1k2n s ASP 676 Cb 0.00 -2.41 0.03 0.00 -0.30 0.00 0.00 42.92 40.24 1k2n s ASP 676 CO 0.00 -0.76 0.49 -0.70 -0.17 0.00 0.00 175.17 174.02 1k2n s GLU 677 N 3.19 3.10 -0.12 4.34 -6.30 -1.26 0.11 118.70 121.76 1k2n s GLU 677 Ca 0.33 -0.80 -0.04 0.00 -2.50 0.00 0.00 54.97 51.95 1k2n s GLU 677 Cb -0.13 -4.01 -0.04 0.00 0.00 0.00 0.00 34.13 29.96 1k2n s GLU 677 CO 0.17 -0.95 0.04 0.42 0.02 0.00 0.00 175.26 174.96 1k2n s ILE 678 N 2.24 4.59 -0.33 -3.70 1.01 -0.18 -2.89 121.20 121.94 1k2n s ILE 678 Ca 0.13 -0.13 -0.17 0.00 0.00 0.00 0.00 60.65 60.47 1k2n s ILE 678 Cb -0.18 -2.98 -0.01 0.00 0.01 0.00 0.00 42.46 39.30 1k2n s ILE 678 CO 0.13 0.57 0.48 -0.54 0.00 0.00 0.00 174.94 175.58 1k2n s LYS 679 N -0.56 3.69 0.03 2.79 1.02 0.55 -1.28 119.74 125.98 1k2n s LYS 679 Ca 0.10 -0.14 -0.03 0.00 0.02 0.00 0.00 55.97 55.92 1k2n s LYS 679 Cb -0.12 -3.78 -0.28 0.00 -0.52 0.00 0.00 37.83 33.13 1k2n s LYS 679 CO 0.02 -0.57 0.95 0.82 -0.92 0.00 0.00 175.35 175.66 1k2n h ILE 680 N 5.56 1.27 -2.40 2.17 2.04 -1.75 1.36 117.51 125.77 1k2n h ILE 680 Ca -0.29 -2.89 -0.07 0.00 1.00 0.00 0.00 64.86 62.61 1k2n h ILE 680 Cb 1.13 2.81 -0.24 0.00 -0.74 0.00 0.00 36.82 39.79 1k2n h ILE 680 CO 0.74 0.84 -0.15 -0.51 0.00 0.00 0.00 178.15 179.07 1k2n s ILE 681 N -2.63 -0.01 -0.05 -0.67 2.07 -1.25 -4.20 121.20 114.46 1k2n s ILE 681 Ca -0.07 0.04 -0.01 0.00 -1.41 0.00 0.00 60.65 59.21 1k2n s ILE 681 Cb 0.07 -0.76 0.03 0.00 0.13 0.00 0.00 42.46 41.93 1k2n s ILE 681 CO 0.86 0.02 -0.00 0.86 -1.91 0.00 0.00 174.94 174.77 1k2n s TRP 682 N 1.17 0.53 -0.21 3.50 -0.00 -1.24 0.18 118.94 122.87 1k2n s TRP 682 Ca -0.07 -0.09 0.01 0.00 -0.00 0.00 0.00 56.10 55.95 1k2n s TRP 682 Cb -0.06 -0.65 0.03 0.00 -0.00 0.00 0.00 33.47 32.79 1k2n s TRP 682 CO -0.11 -0.24 -0.15 -0.51 -0.00 0.00 0.00 176.95 175.94 1k2n s ASP 683 N 1.56 3.68 0.06 5.86 1.01 0.24 -4.95 116.67 124.12 1k2n s ASP 683 Ca -0.02 -0.84 -0.21 0.00 0.71 0.00 0.00 52.55 52.20 1k2n s ASP 683 Cb -0.13 -1.54 -0.12 0.00 1.01 0.00 0.00 42.92 42.14 1k2n s ASP 683 CO -0.03 -0.06 1.45 0.11 0.21 0.00 0.00 175.17 176.85 1k2n h LYS 684 N 7.92 0.31 0.21 8.23 1.57 -1.95 0.25 116.57 133.11 1k2n h LYS 684 Ca -0.38 -0.11 -0.34 0.00 -1.87 0.00 0.00 60.65 57.95 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 0.59 0.57 -1.62 -2.95 -0.57 0.00 0.00 179.45 175.47 1k2n h ASN 685 N 0.02 0.69 1.38 0.86 -1.07 -1.99 -3.31 115.58 112.16 1k2n h ASN 685 Ca 0.04 -0.93 0.00 0.00 0.07 0.00 0.00 56.30 55.48 1k2n h ASN 685 Cb 0.45 -0.22 0.00 0.00 -2.07 0.00 0.00 38.32 36.48 1k2n h ASN 685 CO 0.01 1.75 0.00 -1.13 0.07 0.00 0.00 177.43 178.13 1k2n h ASN 686 N 0.09 0.00 -0.72 6.14 -0.73 -1.98 -3.46 115.58 114.91 1k2n h ASN 686 Ca -0.31 0.00 -0.31 0.00 1.87 0.00 0.00 56.30 57.55 1k2n h ASN 686 Cb 2.10 0.00 -0.12 0.00 0.27 0.00 0.00 38.32 40.57 1k2n h ASN 686 CO 0.21 0.00 -0.28 1.17 -0.37 0.00 0.00 177.43 178.16 1k2n n LYS 687 N -2.39 -1.45 -2.79 6.67 3.00 0.88 -4.92 118.16 117.16 1k2n n LYS 687 Ca 0.05 1.02 -0.43 0.00 -0.00 0.00 0.00 58.31 58.95 1k2n n LYS 687 Cb 0.40 -5.35 -0.04 0.00 0.00 0.00 0.00 35.03 30.04 1k2n n LYS 687 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.40 177.52 1k2n s PHE 688 N -2.36 2.74 -0.15 5.64 2.19 -1.15 -4.83 117.98 120.06 1k2n s PHE 688 Ca 0.00 -0.00 0.01 0.00 0.33 0.00 0.00 56.93 57.27 1k2n s PHE 688 Cb 0.00 -4.17 0.02 0.00 -1.31 0.00 0.00 43.02 37.55 1k2n s PHE 688 CO 0.00 -1.44 -0.17 0.54 1.83 0.00 0.00 175.22 175.98 1k2n s VAL 689 N 4.16 1.75 0.00 3.12 0.11 -1.26 0.80 120.40 129.09 1k2n s VAL 689 Ca 0.32 -0.76 0.03 0.00 -2.93 0.00 0.00 61.98 58.63 1k2n s VAL 689 Cb -0.12 -1.60 -0.03 0.00 -1.53 0.00 0.00 36.38 33.09 1k2n s VAL 689 CO 0.19 0.49 -0.04 -0.63 -3.33 0.00 0.00 175.10 171.78 1k2n s ILE 690 N 1.25 3.84 -0.29 7.04 -1.09 0.47 0.63 121.20 133.03 1k2n s ILE 690 Ca 0.01 -0.71 -0.16 0.00 -2.23 0.00 0.00 60.65 57.56 1k2n s ILE 690 Cb -0.14 -2.69 0.15 0.00 -1.58 0.00 0.00 42.46 38.21 1k2n s ILE 690 CO -0.08 0.39 0.98 -0.83 -1.23 0.00 0.00 174.94 174.16 1k2n s GLY 691 N -1.47 -0.04 0.05 6.18 0.00 -1.26 -2.50 107.32 108.27 1k2n s GLY 691 Ca 0.18 3.12 0.06 0.00 0.00 0.00 0.00 44.72 48.08 1k2n s GLY 691 CO 0.08 2.77 -0.13 -1.36 0.00 0.00 0.00 173.10 174.46 1k2n s PHE 692 N 1.63 2.69 -0.32 1.90 0.08 -0.40 -2.27 117.98 121.30 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 -1.49 -0.02 0.00 -0.57 0.00 0.00 43.02 40.89 1k2n s PHE 692 CO -0.15 0.33 0.20 0.21 -0.10 0.00 0.00 175.22 175.71 1k2n s LYS 693 N -1.63 3.56 -0.14 0.44 2.20 -0.97 -1.01 119.74 122.18 1k2n s LYS 693 Ca 0.17 -0.59 -0.27 0.00 -0.36 0.00 0.00 55.97 54.92 1k2n s LYS 693 Cb -0.11 -3.69 -0.01 0.00 -1.51 0.00 0.00 37.83 32.50 1k2n s LYS 693 CO 0.08 -0.37 0.91 0.08 -0.36 0.00 0.00 175.35 175.69 1k2n s VAL 694 N 1.70 4.84 -0.21 4.02 1.01 0.29 -0.46 120.40 131.59 1k2n s VAL 694 Ca 0.06 1.81 -0.02 0.00 0.00 0.00 0.00 61.98 63.83 1k2n s VAL 694 Cb -0.17 -4.21 0.06 0.00 0.00 0.00 0.00 36.38 32.06 1k2n s VAL 694 CO 0.09 0.02 0.03 -0.70 0.00 0.00 0.00 175.10 174.54 1k2n s GLU 695 N 2.09 0.74 -0.51 2.72 2.56 0.48 0.21 118.70 126.99 1k2n s GLU 695 Ca 0.43 -0.52 -0.28 0.00 0.00 0.00 0.00 54.97 54.60 1k2n s GLU 695 Cb -0.17 -2.14 -0.01 0.00 2.00 0.00 0.00 34.13 33.82 1k2n s GLU 695 CO 0.14 -0.67 1.65 0.42 -0.56 0.00 0.00 175.26 176.25 1k2n s ILE 696 N 1.81 3.58 -0.20 -3.70 1.01 -1.26 -0.14 121.20 122.30 1k2n s ILE 696 Ca -0.01 0.49 -0.23 0.00 0.00 0.00 0.00 60.65 60.91 1k2n s ILE 696 Cb -0.17 -4.08 -0.20 0.00 0.01 0.00 0.00 42.46 38.02 1k2n s ILE 696 CO -0.09 -0.88 0.30 0.78 0.00 0.00 0.00 174.94 175.04 1k2n h ASN 697 N 12.72 0.00 -3.81 3.58 -0.26 -1.43 -3.47 115.58 122.91 1k2n h ASN 697 Ca -0.28 -0.59 -0.69 0.00 -0.56 0.00 0.00 56.30 54.19 1k2n h ASN 697 Cb 1.13 -0.00 -0.21 0.00 -1.06 0.00 0.00 38.32 38.18 1k2n h ASN 697 CO 1.15 1.42 -0.73 -0.62 -1.06 0.00 0.00 177.43 177.59 1k2n s ASP 698 N -6.76 4.35 -0.39 5.81 -1.08 -1.11 -5.02 116.67 112.48 1k2n s ASP 698 Ca -0.27 -0.11 -0.00 0.00 -0.52 0.00 0.00 52.55 51.65 1k2n s ASP 698 Cb 0.04 -1.05 0.11 0.00 -1.46 0.00 0.00 42.92 40.56 1k2n s ASP 698 CO 0.61 0.35 0.15 0.42 0.52 0.00 0.00 175.17 177.21 1k2n s THR 699 N -0.72 2.89 -0.82 1.71 -4.23 -1.26 -4.19 115.64 109.01 1k2n s THR 699 Ca 0.11 -2.21 -0.23 0.00 -1.18 0.00 0.00 61.69 58.18 1k2n s THR 699 Cb -0.11 -3.03 -0.16 0.00 1.34 0.00 0.00 72.50 70.54 1k2n s THR 699 CO 0.01 -0.66 1.91 1.07 -0.54 0.00 0.00 174.62 176.41 1k2n n THR 700 N 4.41 1.73 -3.32 3.99 5.66 -1.26 -3.88 114.28 121.60 1k2n n THR 700 Ca 0.01 -1.58 -0.24 0.00 -3.05 0.00 0.00 64.05 59.18 1k2n n THR 700 Cb 0.41 -2.26 0.03 0.00 -1.55 0.00 0.00 70.33 66.96 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 4.86 -0.52 3.88 1.09 0.00 -1.26 -4.92 105.19 108.32 1k2n n GLY 701 Ca 0.48 0.16 -0.30 0.00 0.00 0.00 0.00 46.02 46.36 1k2n n GLY 701 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1k2n s LEU 702 N -6.85 3.70 0.00 0.99 2.96 -1.25 -4.50 118.68 113.73 1k2n s LEU 702 Ca 0.43 1.14 0.00 0.00 -0.22 0.00 0.00 54.13 55.48 1k2n s LEU 702 Cb -0.20 -4.06 0.00 0.00 0.50 0.00 0.00 46.19 42.42 1k2n s LEU 702 CO 0.53 -0.51 0.00 2.22 -1.32 0.00 0.00 176.35 177.27 1k2n n PHE 703 N -1.71 0.00 -0.36 5.38 -1.74 -1.25 -4.45 117.46 113.34 1k2n n PHE 703 Ca 0.03 0.00 0.31 0.00 -0.56 0.00 0.00 57.45 57.23 1k2n n PHE 703 Cb 0.54 0.00 0.53 0.00 1.52 0.00 0.00 39.48 42.07 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 0.00 0.18 0.00 5.98 5.15 -1.26 -4.67 115.26 120.64 1k2n n ASN 704 Ca 0.00 1.14 0.00 0.00 -0.60 0.00 0.00 54.58 55.12 1k2n n ASN 704 Cb 0.00 -0.56 0.00 0.00 -0.53 0.00 0.00 39.78 38.69 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 -4.36 0.00 0.00 1.20 0.28 -1.26 -4.67 120.64 111.82 1k2n n GLU 705 Ca 0.32 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.32 1k2n n GLU 705 Cb 1.22 0.00 0.00 0.00 1.43 0.00 0.00 31.44 34.09 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 0.87 0.11 -1.84 0.00 -1.26 -4.76 105.19 98.31 1k2n n GLY 706 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 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 0.31 -4.29 0.99 -0.00 -1.26 -2.82 117.00 109.93 1k2n n LEU 707 Ca 0.00 -0.15 -0.17 0.00 -0.00 0.00 0.00 56.01 55.69 1k2n n LEU 707 Cb 0.00 -0.03 -0.09 0.00 -0.00 0.00 0.00 43.42 43.29 1k2n n LEU 707 CO 0.00 0.08 -0.20 -0.83 -0.00 0.00 0.00 177.39 176.44 1k2n s GLY 708 N -1.16 1.92 -0.07 -3.96 0.00 -1.26 -4.89 107.32 97.90 1k2n s GLY 708 Ca 0.11 -1.80 -0.04 0.00 0.00 0.00 0.00 44.72 42.99 1k2n s GLY 708 CO 0.08 -1.52 0.15 -0.29 0.00 0.00 0.00 173.10 171.52 1k2n s MET 709 N -3.87 0.12 0.00 2.90 1.75 -1.26 -5.01 119.30 113.93 1k2n s MET 709 Ca 0.37 0.34 0.00 0.00 -1.25 0.00 0.00 55.69 55.15 1k2n s MET 709 Cb 0.05 -0.10 0.00 0.00 2.84 0.00 0.00 34.83 37.63 1k2n s MET 709 CO 0.17 -0.12 0.00 1.47 -0.65 0.00 0.00 175.02 175.89 1k2n n LEU 710 N 3.86 0.00 -0.27 4.11 -0.00 -1.26 -4.64 117.00 118.81 1k2n n LEU 710 Ca -0.22 0.00 0.24 0.00 -0.00 0.00 0.00 56.01 56.03 1k2n n LEU 710 Cb 0.54 0.00 0.45 0.00 -0.00 0.00 0.00 43.42 44.41 1k2n n LEU 710 CO 0.19 -0.22 0.84 1.67 -0.00 0.00 0.00 177.39 179.87 1k2n n GLN 711 N 0.00 -0.05 -2.48 1.47 7.27 -1.26 -4.24 117.38 118.09 1k2n n GLN 711 Ca 0.00 1.14 -0.41 0.00 0.07 0.00 0.00 57.00 57.81 1k2n n GLN 711 Cb 0.00 -2.02 -0.04 0.00 2.41 0.00 0.00 30.24 30.59 1k2n n GLN 711 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 1k2n s GLU 712 N -5.31 4.60 -0.49 3.69 8.01 -1.26 -5.01 118.70 122.93 1k2n s GLU 712 Ca -0.08 1.77 -0.11 0.00 0.01 0.00 0.00 54.97 56.57 1k2n s GLU 712 Cb 0.27 -3.24 0.12 0.00 -4.31 0.00 0.00 34.13 26.98 1k2n s GLU 712 CO 0.64 0.10 0.38 -0.65 0.01 0.00 0.00 175.26 175.75 1k2n s GLN 713 N -0.75 2.60 -0.40 1.61 1.11 -1.26 -4.65 119.66 117.91 1k2n s GLN 713 Ca 0.48 -1.75 -0.24 0.00 0.01 0.00 0.00 55.36 53.86 1k2n s GLN 713 Cb -0.31 -4.01 0.04 0.00 -1.01 0.00 0.00 33.01 27.71 1k2n s GLN 713 CO 0.37 -1.22 0.50 0.54 0.01 0.00 0.00 175.29 175.49 1k2n n ARG 714 N 4.99 -1.41 -4.81 2.91 5.12 -1.26 -4.97 116.66 117.23 1k2n n ARG 714 Ca -0.09 0.98 -0.26 0.00 -1.93 0.00 0.00 57.85 56.54 1k2n n ARG 714 Cb 0.41 -1.55 -0.15 0.00 -1.16 0.00 0.00 32.46 30.01 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 -1.44 1.66 -0.03 1.55 -7.23 -1.26 -5.03 120.40 108.61 1k2n s VAL 715 Ca 0.24 -1.06 -0.27 0.00 -1.81 0.00 0.00 61.98 59.08 1k2n s VAL 715 Cb -0.02 -1.41 -0.03 0.00 0.56 0.00 0.00 36.38 35.47 1k2n s VAL 715 CO 0.67 0.32 0.87 0.54 -0.31 0.00 0.00 175.10 177.20 1k2n s VAL 716 N -0.65 4.94 0.33 1.32 0.11 -1.26 -4.59 120.40 120.59 1k2n s VAL 716 Ca 0.08 1.81 0.05 0.00 -2.93 0.00 0.00 61.98 60.98 1k2n s VAL 716 Cb -0.08 -4.21 -0.02 0.00 -1.53 0.00 0.00 36.38 30.54 1k2n s VAL 716 CO 0.01 0.19 0.48 -0.76 -3.33 0.00 0.00 175.10 171.69 1k2n s LEU 717 N 0.98 4.02 -0.01 2.54 1.43 0.23 -4.93 118.68 122.93 1k2n s LEU 717 Ca 0.46 0.02 -0.01 0.00 -1.03 0.00 0.00 54.13 53.56 1k2n s LEU 717 Cb -0.20 -2.90 -0.04 0.00 0.03 0.00 0.00 46.19 43.09 1k2n s LEU 717 CO 0.24 -0.37 0.12 -0.75 0.23 0.00 0.00 176.35 175.82 1k2n s LYS 718 N -4.20 3.21 0.51 1.70 2.47 -1.26 0.11 119.74 122.28 1k2n s LYS 718 Ca 0.42 -0.42 -0.19 0.00 -1.56 0.00 0.00 55.97 54.23 1k2n s LYS 718 Cb -0.09 -2.96 -0.08 0.00 -1.46 0.00 0.00 37.83 33.24 1k2n s LYS 718 CO 0.32 0.66 1.02 -0.65 0.16 0.00 0.00 175.35 176.86 1k2n s GLN 719 N -1.80 3.78 0.19 4.03 -0.21 0.87 -4.63 119.66 121.88 1k2n s GLN 719 Ca 0.24 1.22 0.01 0.00 0.02 0.00 0.00 55.36 56.85 1k2n s GLN 719 Cb -0.12 -2.10 -0.00 0.00 1.00 0.00 0.00 33.01 31.78 1k2n s GLN 719 CO 0.16 -0.43 0.03 0.25 -2.12 0.00 0.00 175.29 173.18 1k2n n THR 720 N -1.28 0.00 0.05 -0.19 -2.24 -1.26 -4.89 114.28 104.47 1k2n n THR 720 Ca 0.08 -0.99 0.19 0.00 -2.27 0.00 0.00 64.05 61.07 1k2n n THR 720 Cb 0.53 0.29 0.71 0.00 -2.10 0.00 0.00 70.33 69.76 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 1.20 2.35 -0.04 6.98 0.00 -1.98 -1.39 119.26 126.37 1k2n h ALA 721 Ca -0.15 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1k2n h ALA 721 Cb 0.51 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1k2n h ALA 721 CO 0.24 -0.58 -0.01 1.49 0.00 0.00 0.00 179.25 180.39 1k2n h GLU 722 N 0.00 0.08 0.08 0.00 4.81 -1.99 -1.55 114.58 116.02 1k2n h GLU 722 Ca 0.21 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1k2n h GLU 722 Cb 0.91 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.29 1k2n h GLU 722 CO -0.00 0.43 -0.04 0.93 -0.73 0.00 0.00 179.01 179.60 1k2n h GLU 723 N -0.27 -0.10 -0.47 1.92 4.39 -1.68 -2.75 114.58 115.62 1k2n h GLU 723 Ca 0.01 0.01 0.07 0.00 0.34 0.00 0.00 59.36 59.79 1k2n h GLU 723 Cb 0.40 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.05 1k2n h GLU 723 CO 0.00 0.10 0.32 0.87 -1.16 0.00 0.00 179.01 179.15 1k2n h LYS 724 N -0.29 0.33 -0.56 2.33 1.57 -1.37 -1.11 116.57 117.47 1k2n h LYS 724 Ca -0.01 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 1k2n h LYS 724 Cb 0.25 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 1k2n h LYS 724 CO 0.02 0.22 0.13 -0.44 -0.57 0.00 0.00 179.45 178.81 1k2n h ASP 725 N 0.34 0.80 -0.46 0.86 3.32 -0.99 0.14 116.42 120.42 1k2n h ASP 725 Ca 0.21 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 1k2n h ASP 725 Cb 0.40 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 1k2n h ASP 725 CO -0.05 0.78 0.20 -0.07 -1.72 0.00 0.00 179.24 178.39 1k2n h LEU 726 N 0.82 0.62 -0.41 1.55 3.38 -0.99 -2.72 115.31 117.56 1k2n h LEU 726 Ca 0.18 -0.15 -0.15 0.00 0.09 0.00 0.00 57.88 57.86 1k2n h LEU 726 Cb 0.30 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1k2n h LEU 726 CO -0.00 0.59 -0.69 1.62 0.09 0.00 0.00 178.44 180.05 1k2n h VAL 727 N 0.60 1.36 -0.51 1.22 3.04 -1.40 -3.17 116.25 117.38 1k2n h VAL 727 Ca 0.16 -2.49 0.05 0.00 -1.01 0.00 0.00 66.70 63.41 1k2n h VAL 727 Cb 0.15 2.40 -0.03 0.00 -2.01 0.00 0.00 31.29 31.80 1k2n h VAL 727 CO -0.02 0.68 0.34 0.50 -1.01 0.00 0.00 177.57 178.06 1k2n h LYS 728 N 0.00 0.46 -0.79 4.17 3.64 -0.42 0.28 116.57 123.91 1k2n h LYS 728 Ca -0.01 -0.03 -0.21 0.00 -1.27 0.00 0.00 60.65 59.13 1k2n h LYS 728 Cb 1.34 -0.10 -0.13 0.00 -0.41 0.00 0.00 32.23 32.93 1k2n h LYS 728 CO 0.09 0.31 0.27 1.63 -2.27 0.00 0.00 179.45 179.48 1k2n n LYS 729 N -4.47 3.44 0.00 1.90 5.02 -1.11 -5.09 118.16 117.85 1k2n n LYS 729 Ca 0.07 -2.79 0.16 0.00 -2.02 0.00 0.00 58.31 53.72 1k2n n LYS 729 Cb 0.22 -2.14 0.93 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