#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 2.35 -2.07 -3.40 115.58 114.08 1k2n h ASN 574 Ca 0.00 -0.04 -0.06 0.00 -0.55 0.00 0.00 56.30 55.65 1k2n h ASN 574 Cb 0.00 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.31 1k2n h ASN 574 CO 0.00 0.02 -0.12 0.61 -1.65 0.00 0.00 177.43 176.29 1k2n n GLY 575 N 1.26 -0.00 3.73 2.83 0.00 -1.26 -5.10 105.19 106.65 1k2n n GLY 575 Ca 0.04 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 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 0.01 3.67 0.06 1.61 3.00 -1.26 -2.63 118.95 123.42 1k2n s ARG 576 Ca 0.01 -0.27 0.00 0.00 -1.00 0.00 0.00 55.73 54.47 1k2n s ARG 576 Cb 0.05 -3.16 0.00 0.00 0.00 0.00 0.00 34.95 31.83 1k2n s ARG 576 CO -0.01 0.51 0.00 0.34 0.00 0.00 0.00 175.30 176.13 1k2n n PHE 577 N 2.81 -0.14 -4.01 5.12 7.35 -0.85 -4.07 117.46 123.68 1k2n n PHE 577 Ca -0.18 0.02 -0.35 0.00 -0.76 0.00 0.00 57.45 56.18 1k2n n PHE 577 Cb 0.53 0.06 -0.12 0.00 0.35 0.00 0.00 39.48 40.30 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 -6.00 3.49 -0.29 -2.13 0.20 -0.90 -0.18 118.68 112.86 1k2n s LEU 578 Ca 0.00 -0.10 -0.09 0.00 0.69 0.00 0.00 54.13 54.63 1k2n s LEU 578 Cb 0.00 -1.89 -0.02 0.00 -0.43 0.00 0.00 46.19 43.85 1k2n s LEU 578 CO 0.00 0.08 0.13 -0.89 -0.29 0.00 0.00 176.35 175.38 1k2n s THR 579 N 0.90 4.55 -0.39 3.68 2.01 0.16 0.24 115.64 126.79 1k2n s THR 579 Ca 0.02 -0.31 -0.10 0.00 0.31 0.00 0.00 61.69 61.61 1k2n s THR 579 Cb -0.14 -3.25 0.05 0.00 0.01 0.00 0.00 72.50 69.17 1k2n s THR 579 CO 0.02 0.16 0.21 -0.76 -0.69 0.00 0.00 174.62 173.57 1k2n s LEU 580 N 1.62 4.84 -0.43 4.42 1.43 0.48 0.21 118.68 131.24 1k2n s LEU 580 Ca 0.05 -1.21 -0.03 0.00 -1.03 0.00 0.00 54.13 51.91 1k2n s LEU 580 Cb -0.16 -1.99 0.12 0.00 0.03 0.00 0.00 46.19 44.18 1k2n s LEU 580 CO 0.06 -0.44 0.24 -0.54 0.23 0.00 0.00 176.35 175.89 1k2n s LYS 581 N 1.49 2.08 -0.66 1.70 1.02 0.70 0.22 119.74 126.29 1k2n s LYS 581 Ca 0.02 -1.88 -0.32 0.00 0.02 0.00 0.00 55.97 53.81 1k2n s LYS 581 Cb -0.21 -3.62 -0.15 0.00 -0.52 0.00 0.00 37.83 33.33 1k2n s LYS 581 CO 0.04 -1.09 2.46 -2.30 -0.92 0.00 0.00 175.35 173.54 1k2n n PRO 582 N 4.51 0.55 -1.75 -1.68 -0.02 0.13 -1.94 135.00 134.79 1k2n n PRO 582 Ca -0.02 0.07 -0.32 0.00 -2.02 0.00 0.00 63.50 61.21 1k2n n PRO 582 Cb 0.41 -2.28 0.04 0.00 -0.02 0.00 0.00 33.50 31.65 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 9.30 3.30 0.55 2.45 2.34 -0.85 -1.66 118.68 134.10 1k2n s LEU 583 Ca 1.18 1.76 0.31 0.00 0.06 0.00 0.00 54.13 57.45 1k2n s LEU 583 Cb -0.88 -4.52 1.48 0.00 -0.56 0.00 0.00 46.19 41.71 1k2n s LEU 583 CO 0.44 -1.42 1.88 1.55 -1.06 0.00 0.00 176.35 177.74 1k2n h PRO 584 N -0.21 0.00 0.00 1.48 0.13 -1.89 0.54 132.00 132.05 1k2n h PRO 584 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1k2n h PRO 584 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1k2n h PRO 584 CO 0.56 0.00 0.00 0.22 -0.23 0.00 0.00 178.00 178.55 1k2n h ASP 585 N 0.00 0.00 -2.91 1.44 1.82 -1.92 -3.42 116.42 111.43 1k2n h ASP 585 Ca 0.39 0.00 -0.54 0.00 -0.39 0.00 0.00 57.03 56.49 1k2n h ASP 585 Cb 1.66 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.65 1k2n h ASP 585 CO -0.00 0.00 -0.33 -0.55 -1.61 0.00 0.00 179.24 176.75 1k2n s SER 586 N -4.23 6.40 0.61 2.28 0.15 0.19 -4.83 113.70 114.27 1k2n s SER 586 Ca -0.00 0.44 0.27 0.00 0.70 0.00 0.00 55.95 57.36 1k2n s SER 586 Cb 0.08 -2.03 1.35 0.00 -1.71 0.00 0.00 66.02 63.72 1k2n s SER 586 CO 0.29 -0.03 1.77 -0.29 1.20 0.00 0.00 173.24 176.18 1k2n h ILE 587 N 1.63 0.22 -3.76 6.45 6.09 0.19 -3.38 117.51 124.96 1k2n h ILE 587 Ca -0.48 0.00 -0.68 0.00 -1.37 0.00 0.00 64.86 62.34 1k2n h ILE 587 Cb 1.19 0.50 -0.19 0.00 0.47 0.00 0.00 36.82 38.79 1k2n h ILE 587 CO 0.69 0.00 -0.74 -0.51 -3.07 0.00 0.00 178.15 174.52 1k2n s ILE 588 N -4.47 3.33 -0.54 2.19 2.07 -1.26 -5.07 121.20 117.45 1k2n s ILE 588 Ca -0.04 -0.90 0.07 0.00 -1.41 0.00 0.00 60.65 58.38 1k2n s ILE 588 Cb 0.13 -2.42 0.29 0.00 0.13 0.00 0.00 42.46 40.59 1k2n s ILE 588 CO 0.46 0.40 0.77 0.00 -1.91 0.00 0.00 174.94 174.66 1k2n n GLN 589 N 1.62 2.23 -4.53 3.50 1.13 -1.26 -4.19 117.38 115.89 1k2n n GLN 589 Ca -0.16 -4.31 -0.25 0.00 -1.94 0.00 0.00 57.00 50.35 1k2n n GLN 589 Cb 0.52 -2.00 -0.10 0.00 0.11 0.00 0.00 30.24 28.78 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 -2.57 1.82 -0.09 -1.09 2.02 -0.66 -4.93 118.70 113.20 1k2n s GLU 590 Ca 0.42 -2.05 0.02 0.00 0.02 0.00 0.00 54.97 53.38 1k2n s GLU 590 Cb 0.22 -1.08 0.01 0.00 0.10 0.00 0.00 34.13 33.39 1k2n s GLU 590 CO -0.08 -0.22 -0.14 -1.54 0.02 0.00 0.00 175.26 173.31 1k2n s SER 591 N -3.60 2.15 0.00 -0.19 1.04 -1.26 0.17 113.70 112.01 1k2n s SER 591 Ca 0.31 -0.36 0.04 0.00 0.48 0.00 0.00 55.95 56.42 1k2n s SER 591 Cb 0.07 -0.97 -0.03 0.00 0.10 0.00 0.00 66.02 65.20 1k2n s SER 591 CO 0.15 0.02 -0.11 -0.76 0.98 0.00 0.00 173.24 173.52 1k2n s LEU 592 N 0.85 2.93 -0.17 2.42 1.43 0.61 -4.93 118.68 121.83 1k2n s LEU 592 Ca -0.10 -0.23 0.01 0.00 -1.03 0.00 0.00 54.13 52.77 1k2n s LEU 592 Cb -0.15 -1.68 0.03 0.00 0.03 0.00 0.00 46.19 44.41 1k2n s LEU 592 CO 0.01 0.29 -0.13 -1.61 0.23 0.00 0.00 176.35 175.14 1k2n s GLU 593 N -1.28 2.21 -0.51 1.70 8.01 -1.26 0.18 118.70 127.75 1k2n s GLU 593 Ca 0.15 -0.66 -0.27 0.00 0.01 0.00 0.00 54.97 54.20 1k2n s GLU 593 Cb -0.11 -2.22 0.03 0.00 -4.31 0.00 0.00 34.13 27.52 1k2n s GLU 593 CO 0.05 -0.30 1.06 0.42 0.01 0.00 0.00 175.26 176.50 1k2n s ILE 594 N 1.45 4.27 -0.45 -1.63 1.01 0.65 -4.95 121.20 121.55 1k2n s ILE 594 Ca 0.03 0.88 -0.28 0.00 0.00 0.00 0.00 60.65 61.28 1k2n s ILE 594 Cb -0.14 -4.57 -0.02 0.00 0.01 0.00 0.00 42.46 37.74 1k2n s ILE 594 CO -0.10 -1.05 1.83 -1.10 0.00 0.00 0.00 174.94 174.53 1k2n s GLN 595 N 4.29 3.00 0.15 2.79 1.11 -1.26 -2.00 119.66 127.75 1k2n s GLN 595 Ca 0.41 1.08 -0.12 0.00 0.01 0.00 0.00 55.36 56.74 1k2n s GLN 595 Cb -0.09 -4.28 0.16 0.00 -1.01 0.00 0.00 33.01 27.79 1k2n s GLN 595 CO 0.27 -2.26 1.03 0.00 0.01 0.00 0.00 175.29 174.34 1k2n n GLN 596 N 8.74 -0.16 0.20 2.91 10.64 -1.08 0.25 117.38 138.88 1k2n n GLN 596 Ca 0.22 1.02 0.14 0.00 -1.83 0.00 0.00 57.00 56.56 1k2n n GLN 596 Cb 0.49 -1.52 0.51 0.00 -0.86 0.00 0.00 30.24 28.87 1k2n n GLN 596 CO 0.00 0.00 0.00 0.78 -1.83 0.00 0.00 177.06 176.01 1k2n h GLY 597 N 0.00 0.00 -7.76 2.61 0.00 -1.89 -3.37 103.07 92.66 1k2n h GLY 597 Ca 0.23 0.00 -0.65 0.00 0.00 0.00 0.00 47.33 46.91 1k2n h GLY 597 CO -0.66 0.00 -0.46 0.14 0.00 0.00 0.00 176.54 175.56 1k2n s VAL 598 N -4.22 5.28 -0.04 4.60 1.01 0.69 -5.06 120.40 122.67 1k2n s VAL 598 Ca -0.02 0.09 -0.01 0.00 0.00 0.00 0.00 61.98 62.03 1k2n s VAL 598 Cb 0.08 -3.62 0.03 0.00 0.00 0.00 0.00 36.38 32.88 1k2n s VAL 598 CO 0.28 0.15 0.05 0.21 0.00 0.00 0.00 175.10 175.79 1k2n s ASN 599 N 1.74 0.78 0.42 3.32 2.47 -1.26 -4.03 114.94 118.38 1k2n s ASN 599 Ca 0.08 0.08 -0.03 0.00 0.42 0.00 0.00 52.86 53.41 1k2n s ASN 599 Cb -0.16 -0.10 -0.04 0.00 -1.45 0.00 0.00 41.25 39.50 1k2n s ASN 599 CO 0.11 -0.21 0.68 -2.16 -3.72 0.00 0.00 177.10 171.79 1k2n s PRO 600 N 1.83 3.52 -0.33 0.43 0.04 -1.26 -5.05 135.00 134.18 1k2n s PRO 600 Ca 0.00 -0.03 -0.19 0.00 0.04 0.00 0.00 61.00 60.83 1k2n s PRO 600 Cb -0.12 -2.51 -0.01 0.00 0.04 0.00 0.00 34.50 31.90 1k2n s PRO 600 CO -0.03 -0.04 0.55 0.12 0.04 0.00 0.00 177.00 177.64 1k2n s PHE 601 N -2.54 3.19 -0.01 0.56 5.36 0.14 -4.92 117.98 119.77 1k2n s PHE 601 Ca 0.44 0.32 -0.16 0.00 -0.96 0.00 0.00 56.93 56.57 1k2n s PHE 601 Cb -0.10 -2.94 -0.06 0.00 -0.34 0.00 0.00 43.02 39.58 1k2n s PHE 601 CO 0.40 -0.51 0.44 -0.06 -1.46 0.00 0.00 175.22 174.04 1k2n s PHE 602 N 2.46 3.71 0.05 10.12 0.08 -1.26 0.38 117.98 133.52 1k2n s PHE 602 Ca 0.21 1.02 0.07 0.00 0.12 0.00 0.00 56.93 58.35 1k2n s PHE 602 Cb -0.15 -2.36 -0.03 0.00 -0.57 0.00 0.00 43.02 39.91 1k2n s PHE 602 CO 0.13 0.56 -0.19 0.42 -0.10 0.00 0.00 175.22 176.04 1k2n s ILE 603 N -0.81 1.50 -4.34 0.64 1.09 0.94 0.16 121.20 120.37 1k2n s ILE 603 Ca 0.25 -1.18 0.00 0.00 -1.10 0.00 0.00 60.65 58.62 1k2n s ILE 603 Cb -0.17 -1.32 0.00 0.00 -1.06 0.00 0.00 42.46 39.91 1k2n s ILE 603 CO 0.14 0.11 0.00 0.61 -0.10 0.00 0.00 174.94 175.70 1k2n n GLY 604 N 1.77 -1.62 0.06 6.18 0.00 -1.14 -2.62 105.19 107.83 1k2n n GLY 604 Ca -0.18 -1.19 -0.13 0.00 0.00 0.00 0.00 46.02 44.52 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 -0.01 -6.69 1.61 3.08 0.11 0.62 114.38 113.10 1k2n h ARG 605 Ca 0.00 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.53 1k2n h ARG 605 Cb 0.00 0.00 0.06 0.00 0.08 0.00 0.00 29.97 30.12 1k2n h ARG 605 CO 0.00 0.46 0.96 -1.12 -1.07 0.00 0.00 179.97 179.20 1k2n s SER 606 N -5.66 6.40 0.54 7.04 0.01 -0.92 -4.54 113.70 116.57 1k2n s SER 606 Ca -0.16 2.86 0.34 0.00 1.31 0.00 0.00 55.95 60.31 1k2n s SER 606 Cb 0.02 -2.61 1.87 0.00 0.21 0.00 0.00 66.02 65.51 1k2n s SER 606 CO 0.67 -0.94 2.05 -0.33 0.41 0.00 0.00 173.24 175.10 1k2n h GLU 607 N 6.25 0.00 -0.60 12.44 5.08 -1.89 -1.30 114.58 134.56 1k2n h GLU 607 Ca -0.44 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.05 1k2n h GLU 607 Cb 1.21 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.42 1k2n h GLU 607 CO 0.91 0.00 0.41 -0.44 -1.00 0.00 0.00 179.01 178.89 1k2n h ASP 608 N 0.00 0.23 -3.27 1.42 3.32 -1.89 -3.41 116.42 112.82 1k2n h ASP 608 Ca 0.00 0.01 -0.53 0.00 0.02 0.00 0.00 57.03 56.53 1k2n h ASP 608 Cb 0.09 -0.04 0.02 0.00 0.22 0.00 0.00 39.33 39.62 1k2n h ASP 608 CO 0.00 0.13 0.62 0.00 -1.72 0.00 0.00 179.24 178.27 1k2n h ASN 610 N 6.03 0.00 -3.81 0.00 2.35 -0.71 -3.37 115.58 116.06 1k2n h ASN 610 Ca -0.43 0.00 -0.68 0.00 -0.55 0.00 0.00 56.30 54.63 1k2n h ASN 610 Cb 1.21 0.00 -0.20 0.00 0.05 0.00 0.00 38.32 39.38 1k2n h ASN 610 CO 0.80 0.00 -0.74 0.00 -1.65 0.00 0.00 177.43 175.84 1k2n s LYS 612 N -1.13 2.31 -0.19 0.00 2.36 -1.26 -2.88 119.74 118.95 1k2n s LYS 612 Ca 0.14 -1.49 -0.04 0.00 -2.55 0.00 0.00 55.97 52.04 1k2n s LYS 612 Cb -0.11 -3.44 0.06 0.00 -1.05 0.00 0.00 37.83 33.30 1k2n s LYS 612 CO 0.04 -0.83 0.08 0.42 1.55 0.00 0.00 175.35 176.60 1k2n s ILE 613 N 1.25 0.11 -0.42 5.43 -1.09 0.22 -4.94 121.20 121.77 1k2n s ILE 613 Ca 0.01 -0.34 -0.11 0.00 -2.23 0.00 0.00 60.65 57.99 1k2n s ILE 613 Cb -0.21 -0.75 0.06 0.00 -1.58 0.00 0.00 42.46 39.98 1k2n s ILE 613 CO -0.01 -0.29 0.27 -0.70 -1.23 0.00 0.00 174.94 172.97 1k2n s GLU 614 N 2.04 2.72 -0.24 2.79 2.12 -1.26 -0.24 118.70 126.63 1k2n s GLU 614 Ca 0.02 -1.35 -0.01 0.00 0.36 0.00 0.00 54.97 53.99 1k2n s GLU 614 Cb -0.16 -3.82 0.07 0.00 0.26 0.00 0.00 34.13 30.47 1k2n s GLU 614 CO -0.10 -0.90 0.01 0.34 -0.54 0.00 0.00 175.26 174.07 1k2n s ASP 615 N 2.05 3.54 0.56 -1.70 2.15 -1.26 -5.00 116.67 117.02 1k2n s ASP 615 Ca 0.03 -1.16 0.49 0.00 0.43 0.00 0.00 52.55 52.34 1k2n s ASP 615 Cb -0.22 -0.90 1.69 0.00 -0.30 0.00 0.00 42.92 43.18 1k2n s ASP 615 CO 0.04 -0.30 1.55 -0.55 -0.17 0.00 0.00 175.17 175.74 1k2n h ASN 616 N 8.08 0.00 -0.38 -0.34 -1.07 -1.98 0.64 115.58 120.53 1k2n h ASN 616 Ca -0.16 0.00 -0.12 0.00 0.07 0.00 0.00 56.30 56.09 1k2n h ASN 616 Cb 1.08 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.32 1k2n h ASN 616 CO 0.40 0.00 -0.25 0.03 0.07 0.00 0.00 177.43 177.68 1k2n h ARG 617 N 0.00 0.83 -6.73 4.14 3.08 -2.02 -3.45 114.38 110.24 1k2n h ARG 617 Ca 0.91 -0.39 -0.49 0.00 0.07 0.00 0.00 59.98 60.08 1k2n h ARG 617 Cb 3.75 -0.01 0.02 0.00 0.08 0.00 0.00 29.97 33.81 1k2n h ARG 617 CO -0.01 1.03 -0.02 -0.48 -1.07 0.00 0.00 179.97 179.42 1k2n s LEU 618 N -9.04 3.83 0.73 3.04 0.05 0.22 -4.69 118.68 112.81 1k2n s LEU 618 Ca -0.12 0.77 -0.11 0.00 0.05 0.00 0.00 54.13 54.71 1k2n s LEU 618 Cb 0.10 -3.67 0.03 0.00 -2.05 0.00 0.00 46.19 40.60 1k2n s LEU 618 CO 0.85 -0.42 1.08 -0.55 -0.55 0.00 0.00 176.35 176.76 1k2n s SER 619 N -3.87 5.17 0.58 1.48 0.15 -1.26 -4.68 113.70 111.26 1k2n s SER 619 Ca 0.45 1.35 0.29 0.00 0.70 0.00 0.00 55.95 58.74 1k2n s SER 619 Cb -0.10 -2.17 1.47 0.00 -1.71 0.00 0.00 66.02 63.50 1k2n s SER 619 CO 0.39 -1.54 1.89 0.08 1.20 0.00 0.00 173.24 175.26 1k2n h ARG 620 N -0.79 0.00 -2.12 5.44 0.11 -1.94 -1.69 114.38 113.39 1k2n h ARG 620 Ca -0.45 0.00 -0.54 0.00 0.10 0.00 0.00 59.98 59.08 1k2n h ARG 620 Cb 1.24 0.00 -0.41 0.00 1.11 0.00 0.00 29.97 31.91 1k2n h ARG 620 CO 0.60 0.00 -0.92 0.28 0.10 0.00 0.00 179.97 180.03 1k2n n VAL 621 N -3.82 1.18 -0.19 0.08 0.31 -1.26 -1.05 118.33 113.58 1k2n n VAL 621 Ca 0.10 -4.93 -0.00 0.00 -0.01 0.00 0.00 64.34 59.51 1k2n n VAL 621 Cb 0.72 -1.12 0.10 0.00 -0.91 0.00 0.00 33.84 32.62 1k2n n VAL 621 CO 0.00 0.00 0.00 -0.74 -1.32 0.00 0.00 176.83 174.77 1k2n h HIS 622 N 3.29 0.15 -2.50 3.52 2.76 -1.12 -3.39 115.15 117.85 1k2n h HIS 622 Ca 0.12 0.04 0.09 0.00 -2.20 0.00 0.00 60.37 58.42 1k2n h HIS 622 Cb 0.76 0.02 -0.13 0.00 1.55 0.00 0.00 27.41 29.62 1k2n h HIS 622 CO 0.61 -0.05 0.41 0.00 -1.30 0.00 0.00 177.93 177.60 1k2n s PHE 624 N -3.34 0.03 -0.18 0.00 -0.12 0.21 -0.04 117.98 114.53 1k2n s PHE 624 Ca 0.06 -0.08 -0.08 0.00 -0.05 0.00 0.00 56.93 56.78 1k2n s PHE 624 Cb -0.01 -0.05 -0.04 0.00 -0.63 0.00 0.00 43.02 42.29 1k2n s PHE 624 CO -0.07 -0.21 0.09 0.42 -0.05 0.00 0.00 175.22 175.40 1k2n s ILE 625 N -1.01 5.02 -0.06 -4.49 1.09 0.16 0.17 121.20 122.07 1k2n s ILE 625 Ca -0.11 0.05 0.05 0.00 -1.10 0.00 0.00 60.65 59.54 1k2n s ILE 625 Cb -0.06 -3.27 -0.00 0.00 -1.06 0.00 0.00 42.46 38.07 1k2n s ILE 625 CO 0.01 0.46 -0.22 0.12 -0.10 0.00 0.00 174.94 175.21 1k2n s PHE 626 N 0.28 2.22 -0.11 3.97 5.36 0.50 0.27 117.98 130.47 1k2n s PHE 626 Ca 0.05 -0.73 -0.10 0.00 -0.96 0.00 0.00 56.93 55.19 1k2n s PHE 626 Cb -0.12 -1.48 -0.05 0.00 -0.34 0.00 0.00 43.02 41.04 1k2n s PHE 626 CO -0.00 -0.26 0.23 0.21 -1.46 0.00 0.00 175.22 173.94 1k2n s LYS 627 N 0.07 3.79 0.10 10.12 2.20 -1.26 0.18 119.74 134.94 1k2n s LYS 627 Ca -0.08 0.03 0.02 0.00 -0.36 0.00 0.00 55.97 55.58 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 0.05 0.60 -0.07 0.21 -0.36 0.00 0.00 175.35 175.78 1k2n s LYS 628 N -0.60 0.83 -0.38 4.03 2.36 0.24 -4.92 119.74 121.30 1k2n s LYS 628 Ca 0.16 -1.28 -0.29 0.00 -2.55 0.00 0.00 55.97 52.01 1k2n s LYS 628 Cb -0.13 -0.28 0.01 0.00 -1.05 0.00 0.00 37.83 36.38 1k2n s LYS 628 CO 0.05 0.00 1.29 0.50 1.55 0.00 0.00 175.35 178.75 1k2n s ARG 629 N -3.56 3.76 0.18 4.03 6.06 -1.26 0.20 118.95 128.36 1k2n s ARG 629 Ca 0.10 0.99 -0.31 0.00 -2.50 0.00 0.00 55.73 54.01 1k2n s ARG 629 Cb 0.03 -3.93 -0.09 0.00 0.06 0.00 0.00 34.95 31.02 1k2n s ARG 629 CO -0.03 -1.32 1.44 -1.58 -2.50 0.00 0.00 175.30 171.30 1k2n s HIS 630 N 4.73 3.13 -0.30 5.12 5.65 0.45 -4.87 115.29 129.21 1k2n s HIS 630 Ca 0.56 0.94 -0.29 0.00 0.25 0.00 0.00 55.06 56.52 1k2n s HIS 630 Cb -0.13 -3.77 0.20 0.00 -1.18 0.00 0.00 32.58 27.69 1k2n s HIS 630 CO 0.28 -2.64 1.40 0.00 -0.65 0.00 0.00 174.74 173.12 1k2n s ALA 631 N 0.58 -2.15 0.53 1.58 0.00 -1.26 -2.96 121.76 118.07 1k2n s ALA 631 Ca 0.63 1.89 0.02 0.00 0.00 0.00 0.00 51.96 54.50 1k2n s ALA 631 Cb -0.40 -1.62 0.02 0.00 0.00 0.00 0.00 23.12 21.11 1k2n s ALA 631 CO 0.36 -0.21 0.16 1.33 0.00 0.00 0.00 175.76 177.40 1k2n n VAL 632 N 0.63 0.00 -1.42 0.00 0.24 -1.26 -5.01 118.33 111.51 1k2n n VAL 632 Ca -0.01 -2.32 -0.36 0.00 -2.04 0.00 0.00 64.34 59.61 1k2n n VAL 632 Cb 0.59 0.28 -0.07 0.00 -1.47 0.00 0.00 33.84 33.17 1k2n n VAL 632 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1k2n n GLY 633 N -1.31 1.58 1.47 7.63 0.00 -1.26 -4.81 105.19 108.48 1k2n n GLY 633 Ca -0.14 -0.94 0.20 0.00 0.00 0.00 0.00 46.02 45.14 1k2n n GLY 633 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1k2n n LYS 634 N 7.64 -3.01 -3.74 1.61 5.02 -1.26 -4.94 118.16 119.48 1k2n n LYS 634 Ca 0.47 2.06 -0.13 0.00 -2.02 0.00 0.00 58.31 58.69 1k2n n LYS 634 Cb 0.43 -3.65 -0.13 0.00 -0.02 0.00 0.00 35.03 31.66 1k2n n LYS 634 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1k2n s SER 635 N -7.23 -0.20 0.00 4.39 0.15 -1.26 -5.02 113.70 104.53 1k2n s SER 635 Ca 0.00 0.42 0.22 0.00 0.70 0.00 0.00 55.95 57.29 1k2n s SER 635 Cb 0.00 0.32 0.36 0.00 -1.71 0.00 0.00 66.02 64.99 1k2n s SER 635 CO 0.00 -0.15 1.14 0.23 1.20 0.00 0.00 173.24 175.66 1k2n n MET 636 N 4.07 0.00 0.00 5.44 2.81 -1.26 -4.93 117.12 123.25 1k2n n MET 636 Ca -0.24 -1.83 0.00 0.00 -1.81 0.00 0.00 57.70 53.82 1k2n n MET 636 Cb 0.53 0.08 0.00 0.00 -0.71 0.00 0.00 33.22 33.12 1k2n n MET 636 CO 0.00 0.00 0.00 2.48 1.51 0.00 0.00 175.97 179.96 1k2n n TYR 637 N 0.42 -0.15 -4.13 2.03 4.11 -1.26 -5.14 117.16 113.05 1k2n n TYR 637 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 57.90 57.57 1k2n n TYR 637 Cb 1.07 0.03 -0.07 0.00 -0.00 0.00 0.00 39.34 40.37 1k2n n TYR 637 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.86 174.86 1k2n s GLU 638 N -1.72 3.05 -0.79 -3.48 2.56 -1.26 -5.07 118.70 111.99 1k2n s GLU 638 Ca 0.00 -0.48 -0.12 0.00 0.00 0.00 0.00 54.97 54.37 1k2n s GLU 638 Cb 0.00 -2.85 0.21 0.00 2.00 0.00 0.00 34.13 33.49 1k2n s GLU 638 CO 0.00 0.65 0.71 -1.54 -0.56 0.00 0.00 175.26 174.52 1k2n s SER 639 N -1.64 6.51 0.00 -1.70 1.04 -1.26 -4.79 113.70 111.86 1k2n s SER 639 Ca 0.22 -2.69 0.00 0.00 0.48 0.00 0.00 55.95 53.96 1k2n s SER 639 Cb -0.12 -2.16 0.00 0.00 0.10 0.00 0.00 66.02 63.84 1k2n s SER 639 CO 0.13 -0.55 0.00 -0.81 0.98 0.00 0.00 173.24 172.98 1k2n n PRO 640 N 3.94 1.12 0.32 4.02 -0.04 -1.26 -4.81 135.00 138.29 1k2n n PRO 640 Ca 0.12 0.00 0.17 0.00 -0.04 0.00 0.00 63.50 63.75 1k2n n PRO 640 Cb 0.45 0.00 0.89 0.00 -0.04 0.00 0.00 33.50 34.80 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 1.32 0.00 0.55 0.00 -1.92 -3.45 119.26 113.75 1k2n h ALA 641 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1k2n h ALA 641 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1k2n h ALA 641 CO 0.00 -0.29 0.00 1.04 0.00 0.00 0.00 179.25 180.00 1k2n n GLN 642 N -2.97 0.00 0.00 0.00 6.02 -1.26 -4.20 117.38 114.97 1k2n n GLN 642 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 1k2n n GLN 642 Cb 0.33 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.59 1k2n n GLN 642 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1k2n n GLY 643 N 0.00 -1.85 0.00 1.08 0.00 -1.25 -4.87 105.19 98.30 1k2n n GLY 643 Ca 0.00 0.83 0.00 0.00 0.00 0.00 0.00 46.02 46.85 1k2n n GLY 643 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1k2n n LEU 644 N 0.00 0.00 -4.40 0.99 4.32 -1.16 -4.91 117.00 111.84 1k2n n LEU 644 Ca 0.00 0.00 -0.30 0.00 -0.02 0.00 0.00 56.01 55.69 1k2n n LEU 644 Cb 0.00 0.00 -0.13 0.00 -1.62 0.00 0.00 43.42 41.67 1k2n n LEU 644 CO 0.00 0.00 -0.54 -1.81 -1.22 0.00 0.00 177.39 173.82 1k2n s ASP 645 N 0.88 3.47 0.17 -1.43 1.11 -1.18 0.17 116.67 119.87 1k2n s ASP 645 Ca 0.00 -0.58 0.06 0.00 0.18 0.00 0.00 52.55 52.21 1k2n s ASP 645 Cb 0.00 -0.39 -0.05 0.00 1.07 0.00 0.00 42.92 43.55 1k2n s ASP 645 CO 0.00 0.23 -0.12 -0.62 1.18 0.00 0.00 175.17 175.84 1k2n s ASP 646 N -1.60 2.08 -0.23 0.27 -1.08 0.52 -3.08 116.67 113.56 1k2n s ASP 646 Ca 0.14 -1.02 -0.06 0.00 -0.52 0.00 0.00 52.55 51.09 1k2n s ASP 646 Cb -0.10 -0.06 -0.02 0.00 -1.46 0.00 0.00 42.92 41.28 1k2n s ASP 646 CO 0.05 -0.27 0.02 0.27 0.52 0.00 0.00 175.17 175.75 1k2n s ILE 647 N -3.20 3.91 -0.19 4.11 -4.36 -1.26 0.81 121.20 121.02 1k2n s ILE 647 Ca 0.19 -0.31 -0.06 0.00 -0.26 0.00 0.00 60.65 60.21 1k2n s ILE 647 Cb 0.01 -2.80 -0.03 0.00 1.25 0.00 0.00 42.46 40.89 1k2n s ILE 647 CO 0.03 0.38 0.03 0.26 0.24 0.00 0.00 174.94 175.88 1k2n s TRP 648 N 1.48 3.12 -0.30 1.37 0.52 0.48 0.27 118.94 125.88 1k2n s TRP 648 Ca 0.06 -0.20 -0.20 0.00 0.02 0.00 0.00 56.10 55.77 1k2n s TRP 648 Cb -0.15 -2.07 -0.01 0.00 -1.15 0.00 0.00 33.47 30.09 1k2n s TRP 648 CO 0.01 -0.05 0.62 -0.47 0.02 0.00 0.00 176.95 177.07 1k2n s TYR 649 N 0.69 3.22 -0.19 -1.98 6.14 0.92 0.19 117.35 126.34 1k2n s TYR 649 Ca 0.01 0.58 -0.09 0.00 0.64 0.00 0.00 57.07 58.22 1k2n s TYR 649 Cb -0.14 -2.96 -0.05 0.00 0.42 0.00 0.00 41.96 39.24 1k2n s TYR 649 CO 0.02 -0.46 0.10 0.00 0.64 0.00 0.00 175.55 175.85 1k2n s HIS 651 N 0.35 3.01 0.00 0.00 2.46 -0.38 0.64 115.29 121.37 1k2n s HIS 651 Ca 0.06 -0.17 0.00 0.00 0.47 0.00 0.00 55.06 55.42 1k2n s HIS 651 Cb -0.12 -1.87 0.00 0.00 -0.13 0.00 0.00 32.58 30.46 1k2n s HIS 651 CO -0.01 0.12 0.29 0.25 -2.47 0.00 0.00 174.74 172.91 1k2n n THR 652 N 3.02 0.06 -2.65 0.89 -2.24 0.73 0.88 114.28 114.96 1k2n n THR 652 Ca -0.18 -0.25 -0.34 0.00 -2.27 0.00 0.00 64.05 61.01 1k2n n THR 652 Cb 0.53 1.45 -0.05 0.00 -2.10 0.00 0.00 70.33 70.16 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 -0.06 2.49 0.20 3.38 0.00 0.74 -4.79 107.32 109.28 1k2n s GLY 653 Ca 0.00 0.54 0.04 0.00 0.00 0.00 0.00 44.72 45.30 1k2n s GLY 653 CO 0.00 0.85 1.45 0.00 0.00 0.00 0.00 173.10 175.40 1k2n h THR 654 N 1.75 1.47 0.00 0.90 1.03 -1.91 -3.11 112.91 113.04 1k2n h THR 654 Ca -0.49 -2.40 0.00 0.00 -0.01 0.00 0.00 66.41 63.50 1k2n h THR 654 Cb 1.20 2.30 0.00 0.00 -1.07 0.00 0.00 68.15 70.59 1k2n h THR 654 CO 0.60 0.70 0.00 0.59 -0.01 0.00 0.00 175.52 177.40 1k2n n ASN 655 N -3.73 0.00 -1.83 0.00 3.02 -1.26 -4.83 115.26 106.63 1k2n n ASN 655 Ca -0.03 -0.78 0.00 0.00 -0.03 0.00 0.00 54.58 53.74 1k2n n ASN 655 Cb 0.73 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.90 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 -0.91 -5.52 -3.13 2.41 3.14 -1.17 -4.87 118.33 108.28 1k2n n VAL 656 Ca 0.13 1.95 -0.21 0.00 -2.96 0.00 0.00 64.34 63.25 1k2n n VAL 656 Cb 0.06 -2.79 0.01 0.00 -1.06 0.00 0.00 33.84 30.06 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 -1.25 5.80 -0.10 6.55 0.15 0.14 -4.71 113.70 120.28 1k2n s SER 657 Ca 0.00 0.00 -0.00 0.00 0.70 0.00 0.00 55.95 56.65 1k2n s SER 657 Cb 0.00 -1.26 0.02 0.00 -1.71 0.00 0.00 66.02 63.08 1k2n s SER 657 CO 0.00 -0.66 -0.07 -0.31 1.20 0.00 0.00 173.24 173.40 1k2n s TYR 658 N -2.42 1.33 -0.61 3.44 1.51 0.40 0.14 117.35 121.14 1k2n s TYR 658 Ca 0.49 -0.62 -0.19 0.00 -1.01 0.00 0.00 57.07 55.74 1k2n s TYR 658 Cb -0.10 -1.13 0.11 0.00 -0.11 0.00 0.00 41.96 40.72 1k2n s TYR 658 CO 0.35 -0.45 0.73 -1.17 -1.11 0.00 0.00 175.55 173.89 1k2n s LEU 659 N 1.62 5.39 0.00 -1.29 1.98 0.99 0.13 118.68 127.50 1k2n s LEU 659 Ca 0.03 -1.47 0.00 0.00 -2.89 0.00 0.00 54.13 49.79 1k2n s LEU 659 Cb -0.13 -2.31 0.00 0.00 0.66 0.00 0.00 46.19 44.42 1k2n s LEU 659 CO -0.06 -1.11 0.00 0.59 -1.89 0.00 0.00 176.35 173.87 1k2n n ASN 660 N 6.33 0.00 0.00 3.68 4.13 -1.07 -0.10 115.26 128.23 1k2n n ASN 660 Ca -0.08 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.18 1k2n n ASN 660 Cb 0.43 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.67 1k2n n ASN 660 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 1k2n n ASN 661 N 1.63 0.51 -4.86 6.41 0.23 -1.26 -5.01 115.26 112.91 1k2n n ASN 661 Ca 0.00 -0.98 -0.36 0.00 -0.53 0.00 0.00 54.58 52.71 1k2n n ASN 661 Cb 0.00 0.01 -0.06 0.00 -2.08 0.00 0.00 39.78 37.65 1k2n n ASN 661 CO 0.00 0.00 0.00 0.20 -0.93 0.00 0.00 177.26 176.53 1k2n s ASN 662 N -0.01 6.24 0.22 0.53 -0.87 0.86 -5.09 114.94 116.82 1k2n s ASN 662 Ca 0.00 0.39 -0.26 0.00 -1.57 0.00 0.00 52.86 51.42 1k2n s ASN 662 Cb 0.00 -1.97 -0.09 0.00 -0.02 0.00 0.00 41.25 39.17 1k2n s ASN 662 CO 0.00 0.36 0.84 -0.60 -2.57 0.00 0.00 177.10 175.13 1k2n s ARG 663 N -1.31 4.59 -0.32 -0.60 3.52 -1.26 -0.01 118.95 123.57 1k2n s ARG 663 Ca 0.19 1.22 0.02 0.00 -0.13 0.00 0.00 55.73 57.03 1k2n s ARG 663 Cb -0.12 -3.12 0.10 0.00 -1.56 0.00 0.00 34.95 30.25 1k2n s ARG 663 CO 0.08 0.48 0.05 -1.64 -0.81 0.00 0.00 175.30 173.46 1k2n s MET 664 N -1.46 1.30 0.47 5.12 -1.94 0.37 -4.82 119.30 118.34 1k2n s MET 664 Ca 0.41 -1.56 -0.03 0.00 -1.71 0.00 0.00 55.69 52.80 1k2n s MET 664 Cb -0.22 -2.80 -0.02 0.00 2.01 0.00 0.00 34.83 33.80 1k2n s MET 664 CO 0.26 -0.91 0.74 0.96 -0.01 0.00 0.00 175.02 176.06 1k2n s ILE 665 N 1.15 4.50 -0.72 2.53 -4.36 -1.26 0.25 121.20 123.28 1k2n s ILE 665 Ca 0.09 -0.11 -0.26 0.00 -0.26 0.00 0.00 60.65 60.10 1k2n s ILE 665 Cb -0.19 -3.70 -0.15 0.00 1.25 0.00 0.00 42.46 39.68 1k2n s ILE 665 CO -0.13 -0.61 2.49 1.67 0.24 0.00 0.00 174.94 178.60 1k2n n GLN 666 N -2.20 0.58 0.00 0.37 7.27 -1.24 -1.91 117.38 120.24 1k2n n GLN 666 Ca 0.01 -0.11 0.00 0.00 0.07 0.00 0.00 57.00 56.97 1k2n n GLN 666 Cb 0.56 -2.69 0.00 0.00 2.41 0.00 0.00 30.24 30.53 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 6.22 0.85 3.36 1.69 0.00 0.25 -4.93 105.19 112.63 1k2n n GLY 667 Ca 0.50 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.33 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 -1.33 1.53 0.07 2.61 -4.23 -0.80 -1.38 115.64 112.11 1k2n s THR 668 Ca 0.00 -2.14 0.05 0.00 -1.18 0.00 0.00 61.69 58.42 1k2n s THR 668 Cb 0.00 -2.18 -0.03 0.00 1.34 0.00 0.00 72.50 71.63 1k2n s THR 668 CO 0.00 -0.49 -0.15 -0.75 -0.54 0.00 0.00 174.62 172.69 1k2n s LYS 669 N -3.71 0.88 -0.05 3.99 2.20 0.17 -1.25 119.74 121.96 1k2n s LYS 669 Ca 0.25 -0.93 -0.10 0.00 -0.36 0.00 0.00 55.97 54.82 1k2n s LYS 669 Cb 0.02 -0.91 0.02 0.00 -1.51 0.00 0.00 37.83 35.44 1k2n s LYS 669 CO 0.08 0.21 0.24 0.12 -0.36 0.00 0.00 175.35 175.64 1k2n s PHE 670 N -1.17 -0.17 0.10 4.03 2.19 -0.54 0.13 117.98 122.55 1k2n s PHE 670 Ca -0.00 0.37 -0.31 0.00 0.33 0.00 0.00 56.93 57.31 1k2n s PHE 670 Cb -0.10 0.06 -0.08 0.00 -1.31 0.00 0.00 43.02 41.60 1k2n s PHE 670 CO 0.02 -0.25 1.42 -1.17 1.83 0.00 0.00 175.22 177.08 1k2n s LEU 671 N -0.66 4.36 -0.24 6.12 1.98 -1.26 -0.06 118.68 128.93 1k2n s LEU 671 Ca -0.08 2.33 -0.06 0.00 -2.89 0.00 0.00 54.13 53.44 1k2n s LEU 671 Cb -0.04 -3.58 -0.02 0.00 0.66 0.00 0.00 46.19 43.21 1k2n s LEU 671 CO 0.02 -0.69 0.02 -0.76 -1.89 0.00 0.00 176.35 173.05 1k2n s LEU 672 N 1.37 3.20 -0.00 -0.68 1.43 0.14 -4.88 118.68 119.26 1k2n s LEU 672 Ca 0.65 -0.29 0.03 0.00 -1.03 0.00 0.00 54.13 53.49 1k2n s LEU 672 Cb -0.37 -1.84 -0.03 0.00 0.03 0.00 0.00 46.19 43.98 1k2n s LEU 672 CO 0.30 -0.03 -0.05 -1.10 0.23 0.00 0.00 176.35 175.70 1k2n s GLN 673 N 1.55 2.62 -0.24 1.70 -0.21 -1.26 -4.31 119.66 119.52 1k2n s GLN 673 Ca 0.06 -0.68 -0.42 0.00 0.02 0.00 0.00 55.36 54.34 1k2n s GLN 673 Cb -0.15 -2.55 -0.18 0.00 1.00 0.00 0.00 33.01 31.13 1k2n s GLN 673 CO 0.01 0.61 1.47 -3.47 -2.12 0.00 0.00 175.29 171.78 1k2n n ASP 674 N 1.57 1.25 -0.29 5.90 -0.08 0.66 -1.63 116.55 123.93 1k2n n ASP 674 Ca -0.15 1.15 0.00 0.00 -1.51 0.00 0.00 54.79 54.27 1k2n n ASP 674 Cb 0.53 -1.00 0.00 0.00 2.34 0.00 0.00 41.12 42.99 1k2n n ASP 674 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1k2n n GLY 675 N 3.22 0.97 3.53 0.27 0.00 0.31 -4.74 105.19 108.75 1k2n n GLY 675 Ca 0.25 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 1k2n n GLY 675 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1k2n s ASP 676 N -2.63 6.25 -0.44 1.61 1.11 -0.46 -4.77 116.67 117.33 1k2n s ASP 676 Ca 0.00 -0.32 -0.17 0.00 0.18 0.00 0.00 52.55 52.24 1k2n s ASP 676 Cb 0.00 -2.24 0.03 0.00 1.07 0.00 0.00 42.92 41.78 1k2n s ASP 676 CO 0.00 -0.52 0.46 -1.61 1.18 0.00 0.00 175.17 174.69 1k2n s GLU 677 N 2.28 3.08 -0.11 8.23 2.02 -1.26 0.12 118.70 133.06 1k2n s GLU 677 Ca 0.15 -0.86 -0.03 0.00 0.02 0.00 0.00 54.97 54.26 1k2n s GLU 677 Cb -0.16 -4.01 -0.03 0.00 0.10 0.00 0.00 34.13 30.03 1k2n s GLU 677 CO 0.14 -0.94 0.00 0.42 0.02 0.00 0.00 175.26 174.90 1k2n s ILE 678 N 2.15 4.30 -0.33 -1.63 1.01 -0.26 -2.61 121.20 123.83 1k2n s ILE 678 Ca 0.11 -0.24 -0.16 0.00 0.00 0.00 0.00 60.65 60.37 1k2n s ILE 678 Cb -0.18 -2.84 -0.02 0.00 0.01 0.00 0.00 42.46 39.43 1k2n s ILE 678 CO 0.12 0.57 0.40 -0.54 0.00 0.00 0.00 174.94 175.49 1k2n s LYS 679 N -0.50 3.67 0.03 2.79 1.02 0.35 -0.90 119.74 126.19 1k2n s LYS 679 Ca 0.09 -0.27 0.00 0.00 0.02 0.00 0.00 55.97 55.81 1k2n s LYS 679 Cb -0.12 -3.78 -0.26 0.00 -0.52 0.00 0.00 37.83 33.15 1k2n s LYS 679 CO 0.02 -0.50 0.94 0.82 -0.92 0.00 0.00 175.35 175.71 1k2n h ILE 680 N 5.53 1.26 -2.40 2.17 2.04 -1.74 1.15 117.51 125.51 1k2n h ILE 680 Ca -0.30 -2.92 -0.07 0.00 1.00 0.00 0.00 64.86 62.57 1k2n h ILE 680 Cb 1.14 2.76 -0.24 0.00 -0.74 0.00 0.00 36.82 39.74 1k2n h ILE 680 CO 0.70 0.82 -0.16 -0.51 0.00 0.00 0.00 178.15 179.00 1k2n s ILE 681 N -2.64 -0.01 -0.03 -0.67 1.10 -1.24 -4.25 121.20 113.46 1k2n s ILE 681 Ca -0.06 0.05 0.01 0.00 -0.51 0.00 0.00 60.65 60.13 1k2n s ILE 681 Cb 0.07 -0.76 0.03 0.00 0.15 0.00 0.00 42.46 41.95 1k2n s ILE 681 CO 0.85 0.02 -0.01 0.86 -2.11 0.00 0.00 174.94 174.54 1k2n s TRP 682 N 1.30 0.44 -0.15 3.50 -0.00 -1.22 0.13 118.94 122.94 1k2n s TRP 682 Ca -0.08 -0.06 -0.00 0.00 -0.00 0.00 0.00 56.10 55.96 1k2n s TRP 682 Cb -0.07 -0.48 0.03 0.00 -0.00 0.00 0.00 33.47 32.96 1k2n s TRP 682 CO -0.13 -0.14 -0.09 0.34 -0.00 0.00 0.00 176.95 176.92 1k2n s ASP 683 N 0.96 2.73 0.07 5.86 2.15 0.31 -4.93 116.67 123.81 1k2n s ASP 683 Ca -0.11 -0.56 -0.20 0.00 0.43 0.00 0.00 52.55 52.11 1k2n s ASP 683 Cb -0.14 -1.02 -0.11 0.00 -0.30 0.00 0.00 42.92 41.35 1k2n s ASP 683 CO -0.01 -0.13 1.47 0.11 -0.17 0.00 0.00 175.17 176.44 1k2n h LYS 684 N 8.09 0.36 0.03 4.34 1.57 -1.94 0.86 116.57 129.88 1k2n h LYS 684 Ca -0.30 -0.13 -0.26 0.00 -1.87 0.00 0.00 60.65 58.09 1k2n h LYS 684 Cb 1.12 -0.02 0.02 0.00 0.08 0.00 0.00 32.23 33.43 1k2n h LYS 684 CO 0.45 0.60 -1.04 -0.91 -0.57 0.00 0.00 179.45 177.97 1k2n h ASN 685 N 0.09 0.87 0.62 0.86 2.35 -1.99 -3.27 115.58 115.11 1k2n h ASN 685 Ca 0.05 -0.76 0.00 0.00 -0.55 0.00 0.00 56.30 55.04 1k2n h ASN 685 Cb 0.45 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.56 1k2n h ASN 685 CO 0.02 1.52 -0.49 -3.20 -1.65 0.00 0.00 177.43 173.63 1k2n n ASN 686 N -3.88 0.50 -1.01 5.81 2.85 -1.24 -4.92 115.26 113.36 1k2n n ASN 686 Ca -0.12 -0.10 -0.13 0.00 -0.11 0.00 0.00 54.58 54.12 1k2n n ASN 686 Cb 0.88 0.17 -0.06 0.00 1.24 0.00 0.00 39.78 42.02 1k2n n ASN 686 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1k2n n LYS 687 N -1.63 -1.52 -2.42 1.20 5.02 0.30 -4.90 118.16 114.20 1k2n n LYS 687 Ca 0.05 0.95 -0.42 0.00 -2.02 0.00 0.00 58.31 56.88 1k2n n LYS 687 Cb 0.36 -5.30 -0.03 0.00 -0.02 0.00 0.00 35.03 30.04 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 -2.19 2.34 -0.10 2.13 2.19 -1.06 -4.77 117.98 116.52 1k2n s PHE 688 Ca 0.00 0.47 0.01 0.00 0.33 0.00 0.00 56.93 57.74 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 -1.91 -0.14 0.54 1.83 0.00 0.00 175.22 175.54 1k2n s VAL 689 N 5.84 1.38 0.15 3.12 0.11 -1.25 0.11 120.40 129.87 1k2n s VAL 689 Ca 0.51 -0.57 0.09 0.00 -2.93 0.00 0.00 61.98 59.08 1k2n s VAL 689 Cb -0.10 -1.28 -0.04 0.00 -1.53 0.00 0.00 36.38 33.43 1k2n s VAL 689 CO 0.25 0.42 -0.21 -0.63 -3.33 0.00 0.00 175.10 171.61 1k2n s ILE 690 N 1.05 1.91 -0.30 7.04 1.01 0.34 0.20 121.20 132.46 1k2n s ILE 690 Ca -0.06 -1.82 -0.23 0.00 0.00 0.00 0.00 60.65 58.54 1k2n s ILE 690 Cb -0.15 -1.82 0.18 0.00 0.01 0.00 0.00 42.46 40.68 1k2n s ILE 690 CO -0.02 -0.18 1.34 -0.83 0.00 0.00 0.00 174.94 175.25 1k2n s GLY 691 N -2.40 0.31 0.06 6.18 0.00 -1.26 -2.40 107.32 107.80 1k2n s GLY 691 Ca 0.14 3.43 0.06 0.00 0.00 0.00 0.00 44.72 48.35 1k2n s GLY 691 CO 0.06 2.07 -0.12 -1.36 0.00 0.00 0.00 173.10 173.76 1k2n s PHE 692 N 0.25 2.72 -0.31 1.90 0.08 -0.08 -2.01 117.98 120.53 1k2n s PHE 692 Ca 0.04 -0.16 -0.11 0.00 0.12 0.00 0.00 56.93 56.82 1k2n s PHE 692 Cb -0.05 -1.48 -0.03 0.00 -0.57 0.00 0.00 43.02 40.89 1k2n s PHE 692 CO -0.13 0.36 0.20 0.21 -0.10 0.00 0.00 175.22 175.75 1k2n s LYS 693 N -1.78 3.62 -0.16 0.44 2.36 -0.82 -1.11 119.74 122.30 1k2n s LYS 693 Ca 0.18 -0.54 -0.29 0.00 -2.55 0.00 0.00 55.97 52.77 1k2n s LYS 693 Cb -0.11 -3.68 -0.00 0.00 -1.05 0.00 0.00 37.83 32.99 1k2n s LYS 693 CO 0.10 -0.34 1.01 0.08 1.55 0.00 0.00 175.35 177.75 1k2n s VAL 694 N 1.71 4.75 -0.21 4.02 1.01 0.32 -0.21 120.40 131.78 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 -4.30 0.06 0.00 0.00 0.00 0.00 36.38 31.97 1k2n s VAL 694 CO 0.09 -0.06 0.02 -0.70 0.00 0.00 0.00 175.10 174.45 1k2n s GLU 695 N 2.48 0.85 -0.56 2.72 2.12 0.55 0.11 118.70 126.97 1k2n s GLU 695 Ca 0.46 -0.58 -0.28 0.00 0.36 0.00 0.00 54.97 54.93 1k2n s GLU 695 Cb -0.17 -2.20 0.02 0.00 0.26 0.00 0.00 34.13 32.04 1k2n s GLU 695 CO 0.13 -0.66 1.27 0.42 -0.54 0.00 0.00 175.26 175.88 1k2n s ILE 696 N 1.75 3.94 -0.10 -3.70 1.01 -1.26 0.41 121.20 123.26 1k2n s ILE 696 Ca -0.01 0.84 -0.20 0.00 0.00 0.00 0.00 60.65 61.28 1k2n s ILE 696 Cb -0.17 -4.62 -0.28 0.00 0.01 0.00 0.00 42.46 37.40 1k2n s ILE 696 CO -0.09 -1.26 0.67 0.78 0.00 0.00 0.00 174.94 175.04 1k2n h ASN 697 N 10.05 0.33 -3.64 3.58 2.35 -0.89 -3.46 115.58 123.90 1k2n h ASN 697 Ca -0.26 -0.87 -0.68 0.00 -0.55 0.00 0.00 56.30 53.94 1k2n h ASN 697 Cb 1.07 -0.11 -0.18 0.00 0.05 0.00 0.00 38.32 39.15 1k2n h ASN 697 CO 1.18 1.46 -0.69 -0.62 -1.65 0.00 0.00 177.43 177.11 1k2n s ASP 698 N -6.90 4.67 -0.39 5.81 -1.08 -1.14 -5.05 116.67 112.59 1k2n s ASP 698 Ca -0.18 -0.04 -0.01 0.00 -0.52 0.00 0.00 52.55 51.79 1k2n s ASP 698 Cb 0.02 -1.16 0.11 0.00 -1.46 0.00 0.00 42.92 40.43 1k2n s ASP 698 CO 0.76 0.35 0.17 0.42 0.52 0.00 0.00 175.17 177.39 1k2n s THR 699 N -0.86 3.07 -1.47 1.71 -4.23 -1.26 -4.73 115.64 107.87 1k2n s THR 699 Ca 0.13 -2.11 -0.10 0.00 -1.18 0.00 0.00 61.69 58.44 1k2n s THR 699 Cb -0.11 -3.13 -0.07 0.00 1.34 0.00 0.00 72.50 70.53 1k2n s THR 699 CO 0.03 -0.67 2.73 1.07 -0.54 0.00 0.00 174.62 177.24 1k2n n THR 700 N 4.52 3.86 -3.32 3.99 5.66 -1.26 -4.48 114.28 123.26 1k2n n THR 700 Ca -0.01 -2.39 -0.16 0.00 -3.05 0.00 0.00 64.05 58.44 1k2n n THR 700 Cb 0.41 -2.52 0.07 0.00 -1.55 0.00 0.00 70.33 66.75 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 3.67 -0.94 3.79 1.09 0.00 -1.26 -4.72 105.19 106.82 1k2n n GLY 701 Ca 0.70 0.45 -0.38 0.00 0.00 0.00 0.00 46.02 46.79 1k2n n GLY 701 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k2n s LEU 702 N -5.69 4.50 0.26 0.99 1.43 -1.26 -3.09 118.68 115.82 1k2n s LEU 702 Ca 0.33 1.60 -0.04 0.00 -1.03 0.00 0.00 54.13 54.99 1k2n s LEU 702 Cb -0.05 -3.45 0.51 0.00 0.03 0.00 0.00 46.19 43.23 1k2n s LEU 702 CO 0.74 0.13 1.39 2.22 0.23 0.00 0.00 176.35 181.06 1k2n n PHE 703 N 1.24 0.41 -1.13 0.29 -1.74 -1.18 -3.16 117.46 112.19 1k2n n PHE 703 Ca -0.04 1.08 0.00 0.00 -0.56 0.00 0.00 57.45 57.93 1k2n n PHE 703 Cb 0.49 -1.07 0.00 0.00 1.52 0.00 0.00 39.48 40.42 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 -5.40 0.00 0.00 5.98 5.15 -1.26 -4.95 115.26 114.79 1k2n n ASN 704 Ca 0.17 -1.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.15 1k2n n ASN 704 Cb 0.53 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.78 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 -1.19 -3.74 120.64 117.19 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 0.30 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.17 1k2n n GLU 705 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1k2n n GLY 706 N 0.00 1.25 0.55 -1.84 0.00 -1.26 -4.24 105.19 99.66 1k2n n GLY 706 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 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 1.62 -0.69 0.99 -0.00 -1.25 0.24 117.00 117.92 1k2n n LEU 707 Ca 0.00 -0.77 0.00 0.00 -0.00 0.00 0.00 56.01 55.24 1k2n n LEU 707 Cb 0.00 -0.17 0.00 0.00 -0.00 0.00 0.00 43.42 43.25 1k2n n LEU 707 CO 0.00 0.39 0.00 0.61 -0.00 0.00 0.00 177.39 178.39 1k2n n GLY 708 N 1.03 0.50 3.57 -3.96 0.00 -1.26 -5.01 105.19 100.05 1k2n n GLY 708 Ca 0.12 -0.52 -0.43 0.00 0.00 0.00 0.00 46.02 45.19 1k2n n GLY 708 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1k2n n MET 709 N -0.53 1.18 -0.88 1.61 0.00 -1.26 -4.70 117.12 112.55 1k2n n MET 709 Ca 0.00 0.42 -0.33 0.00 0.00 0.00 0.00 57.70 57.79 1k2n n MET 709 Cb 0.23 -1.81 -0.04 0.00 0.00 0.00 0.00 33.22 31.61 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 1.09 -0.26 -3.90 3.17 -0.00 -1.26 -0.63 117.00 115.21 1k2n n LEU 710 Ca 0.10 0.69 -0.28 0.00 -0.00 0.00 0.00 56.01 56.52 1k2n n LEU 710 Cb 0.34 -0.56 -0.01 0.00 -0.00 0.00 0.00 43.42 43.20 1k2n n LEU 710 CO 0.58 -1.36 -0.20 0.00 -0.00 0.00 0.00 177.39 176.41 1k2n n GLN 711 N 0.80 -2.66 -1.82 1.47 6.02 -1.26 -4.81 117.38 115.11 1k2n n GLN 711 Ca 0.12 0.39 -0.42 0.00 -0.01 0.00 0.00 57.00 57.08 1k2n n GLN 711 Cb 0.08 -4.33 -0.03 0.00 1.02 0.00 0.00 30.24 26.99 1k2n n GLN 711 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 1k2n s GLU 712 N -6.48 4.16 -0.71 -1.09 -1.05 0.20 -4.92 118.70 108.81 1k2n s GLU 712 Ca 0.13 2.44 -0.26 0.00 -0.15 0.00 0.00 54.97 57.13 1k2n s GLU 712 Cb -0.05 -3.92 0.04 0.00 -0.44 0.00 0.00 34.13 29.76 1k2n s GLU 712 CO 0.89 -0.86 1.19 -1.14 0.95 0.00 0.00 175.26 176.28 1k2n s GLN 713 N 3.72 3.19 -1.17 -4.83 0.74 -1.26 -4.93 119.66 115.13 1k2n s GLN 713 Ca 0.80 -0.35 -0.07 0.00 0.05 0.00 0.00 55.36 55.78 1k2n s GLN 713 Cb -0.40 -4.18 0.24 0.00 1.10 0.00 0.00 33.01 29.78 1k2n s GLN 713 CO 0.36 -2.02 1.57 0.54 -0.55 0.00 0.00 175.29 175.19 1k2n n ARG 714 N 8.87 3.97 -4.75 1.67 5.12 -1.26 -4.84 116.66 125.44 1k2n n ARG 714 Ca 0.02 -4.12 -0.26 0.00 -1.93 0.00 0.00 57.85 51.55 1k2n n ARG 714 Cb 0.48 -2.71 -0.14 0.00 -1.16 0.00 0.00 32.46 28.93 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 -1.11 1.69 -0.19 1.55 -7.23 -1.26 -4.95 120.40 108.90 1k2n s VAL 715 Ca 0.35 -1.14 -0.29 0.00 -1.81 0.00 0.00 61.98 59.09 1k2n s VAL 715 Cb 0.04 -1.45 -0.00 0.00 0.56 0.00 0.00 36.38 35.53 1k2n s VAL 715 CO 0.04 0.28 1.14 -0.69 -0.31 0.00 0.00 175.10 175.56 1k2n s VAL 716 N -0.73 4.49 0.59 1.32 1.01 -1.26 -4.61 120.40 121.21 1k2n s VAL 716 Ca 0.08 1.80 -0.02 0.00 0.00 0.00 0.00 61.98 63.84 1k2n s VAL 716 Cb -0.09 -4.16 0.03 0.00 0.00 0.00 0.00 36.38 32.16 1k2n s VAL 716 CO 0.01 -0.15 0.85 -0.76 0.00 0.00 0.00 175.10 175.05 1k2n s LEU 717 N 3.29 3.19 0.01 3.92 1.02 0.35 -4.87 118.68 125.59 1k2n s LEU 717 Ca 0.49 0.28 -0.01 0.00 0.02 0.00 0.00 54.13 54.92 1k2n s LEU 717 Cb -0.18 -3.09 -0.04 0.00 0.02 0.00 0.00 46.19 42.90 1k2n s LEU 717 CO 0.11 -1.19 0.11 -0.75 0.02 0.00 0.00 176.35 174.65 1k2n s LYS 718 N -4.90 3.16 0.42 1.70 2.20 -1.26 0.41 119.74 121.47 1k2n s LYS 718 Ca 0.56 -0.46 -0.17 0.00 -0.36 0.00 0.00 55.97 55.54 1k2n s LYS 718 Cb -0.10 -2.91 -0.09 0.00 -1.51 0.00 0.00 37.83 33.21 1k2n s LYS 718 CO 0.41 0.64 0.88 -0.65 -0.36 0.00 0.00 175.35 176.28 1k2n s GLN 719 N -1.89 4.05 0.43 4.03 -0.21 -0.48 -4.63 119.66 120.96 1k2n s GLN 719 Ca 0.25 0.88 0.02 0.00 0.02 0.00 0.00 55.36 56.54 1k2n s GLN 719 Cb -0.12 -2.26 -0.01 0.00 1.00 0.00 0.00 33.01 31.62 1k2n s GLN 719 CO 0.17 -0.04 0.08 0.25 -2.12 0.00 0.00 175.29 173.63 1k2n n THR 720 N -0.87 0.00 0.00 -0.19 -2.24 -1.26 -4.96 114.28 104.76 1k2n n THR 720 Ca 0.05 -2.30 0.20 0.00 -2.27 0.00 0.00 64.05 59.73 1k2n n THR 720 Cb 0.54 0.67 0.68 0.00 -2.10 0.00 0.00 70.33 70.12 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 1.48 2.48 0.10 6.98 0.00 -1.98 -1.38 119.26 126.94 1k2n h ALA 721 Ca -0.35 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1k2n h ALA 721 Cb 1.19 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1k2n h ALA 721 CO 0.57 -0.62 -0.05 1.49 0.00 0.00 0.00 179.25 180.63 1k2n h GLU 722 N 0.01 -0.14 0.05 0.00 4.57 -1.99 0.91 114.58 118.00 1k2n h GLU 722 Ca 0.25 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.43 1k2n h GLU 722 Cb 0.98 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.60 1k2n h GLU 722 CO -0.01 -0.03 -0.03 0.93 -1.18 0.00 0.00 179.01 178.70 1k2n h GLU 723 N -0.21 -0.07 -0.58 1.92 4.39 -1.69 -2.78 114.58 115.57 1k2n h GLU 723 Ca -0.01 0.00 0.11 0.00 0.34 0.00 0.00 59.36 59.80 1k2n h GLU 723 Cb 0.17 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.80 1k2n h GLU 723 CO 0.02 0.22 0.39 -0.22 -1.16 0.00 0.00 179.01 178.26 1k2n h LYS 724 N -0.35 0.29 -0.54 2.33 3.64 -1.27 -1.00 116.57 119.66 1k2n h LYS 724 Ca -0.01 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.25 1k2n h LYS 724 Cb 0.32 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 1k2n h LYS 724 CO 0.01 0.19 -0.07 -0.44 -2.27 0.00 0.00 179.45 176.87 1k2n h ASP 725 N 0.29 0.98 -0.59 4.20 3.32 -0.58 -1.92 116.42 122.13 1k2n h ASP 725 Ca 0.27 -0.30 0.03 0.00 0.02 0.00 0.00 57.03 57.05 1k2n h ASP 725 Cb 0.67 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.91 1k2n h ASP 725 CO -0.06 1.07 0.35 -0.07 -1.72 0.00 0.00 179.24 178.81 1k2n h LEU 726 N 0.89 0.56 -0.80 1.55 3.38 -0.92 -1.75 115.31 118.22 1k2n h LEU 726 Ca 0.15 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.05 1k2n h LEU 726 Cb 0.62 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1k2n h LEU 726 CO 0.04 0.39 -0.34 1.62 0.09 0.00 0.00 178.44 180.23 1k2n h VAL 727 N 0.68 0.75 -0.82 1.22 3.04 -1.44 -3.15 116.25 116.54 1k2n h VAL 727 Ca 0.24 -1.51 0.12 0.00 -1.01 0.00 0.00 66.70 64.54 1k2n h VAL 727 Cb 0.05 1.97 -0.06 0.00 -2.01 0.00 0.00 31.29 31.24 1k2n h VAL 727 CO -0.11 0.34 0.53 0.50 -1.01 0.00 0.00 177.57 177.81 1k2n h LYS 728 N 0.00 0.63 -1.00 4.17 3.64 -0.48 0.74 116.57 124.26 1k2n h LYS 728 Ca -0.00 -0.04 -0.47 0.00 -1.27 0.00 0.00 60.65 58.87 1k2n h LYS 728 Cb 0.94 -0.14 -0.28 0.00 -0.41 0.00 0.00 32.23 32.35 1k2n h LYS 728 CO 0.04 0.41 0.59 1.63 -2.27 0.00 0.00 179.45 179.86 1k2n n LYS 729 N -4.52 2.12 0.00 1.90 5.02 -1.19 -5.11 118.16 116.38 1k2n n LYS 729 Ca 0.15 -2.69 0.15 0.00 -2.02 0.00 0.00 58.31 53.90 1k2n n LYS 729 Cb 0.42 -2.05 0.73 0.00 -0.02 0.00 0.00 35.03 34.11 1k2n n LYS 729 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77