#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 4.21 -2.01 -3.46 115.58 115.93 1k2n h ASN 574 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1k2n h ASN 574 Cb 0.00 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 1k2n h ASN 574 CO 0.00 0.11 0.00 0.61 -1.29 0.00 0.00 177.43 176.86 1k2n n GLY 575 N -0.03 4.00 3.56 2.83 0.00 -1.26 -5.12 105.19 109.16 1k2n n GLY 575 Ca -0.00 -0.61 -0.32 0.00 0.00 0.00 0.00 46.02 45.09 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 2.46 0.09 1.61 3.52 -1.26 -3.21 118.95 122.16 1k2n s ARG 576 Ca 0.00 -0.76 0.00 0.00 -0.13 0.00 0.00 55.73 54.84 1k2n s ARG 576 Cb 0.00 -2.43 0.00 0.00 -1.56 0.00 0.00 34.95 30.96 1k2n s ARG 576 CO 0.00 0.59 0.00 0.34 -0.81 0.00 0.00 175.30 175.42 1k2n n PHE 577 N 1.65 -0.36 -4.42 5.12 7.35 -1.03 -4.13 117.46 121.65 1k2n n PHE 577 Ca -0.16 0.06 -0.33 0.00 -0.76 0.00 0.00 57.45 56.26 1k2n n PHE 577 Cb 0.52 0.11 -0.10 0.00 0.35 0.00 0.00 39.48 40.37 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 -6.35 3.37 -0.22 -2.13 0.20 -0.98 -1.01 118.68 111.56 1k2n s LEU 578 Ca 0.00 -0.02 0.02 0.00 0.69 0.00 0.00 54.13 54.82 1k2n s LEU 578 Cb 0.00 -1.86 0.04 0.00 -0.43 0.00 0.00 46.19 43.95 1k2n s LEU 578 CO 0.00 0.32 -0.13 -0.89 -0.29 0.00 0.00 176.35 175.35 1k2n s THR 579 N -0.97 2.02 -0.42 3.68 2.01 0.13 0.14 115.64 122.23 1k2n s THR 579 Ca 0.16 -1.30 -0.14 0.00 0.31 0.00 0.00 61.69 60.73 1k2n s THR 579 Cb -0.11 -2.03 0.04 0.00 0.01 0.00 0.00 72.50 70.41 1k2n s THR 579 CO 0.06 0.18 0.31 -0.76 -0.69 0.00 0.00 174.62 173.72 1k2n s LEU 580 N 1.22 5.21 -0.43 4.42 1.43 0.51 0.16 118.68 131.21 1k2n s LEU 580 Ca -0.03 -1.12 -0.03 0.00 -1.03 0.00 0.00 54.13 51.92 1k2n s LEU 580 Cb -0.17 -2.12 0.11 0.00 0.03 0.00 0.00 46.19 44.04 1k2n s LEU 580 CO -0.08 -0.51 0.22 -0.54 0.23 0.00 0.00 176.35 175.67 1k2n s LYS 581 N 1.62 2.04 -0.82 1.70 1.02 0.53 0.25 119.74 126.08 1k2n s LYS 581 Ca 0.04 -1.88 -0.28 0.00 0.02 0.00 0.00 55.97 53.87 1k2n s LYS 581 Cb -0.21 -3.59 -0.17 0.00 -0.52 0.00 0.00 37.83 33.33 1k2n s LYS 581 CO 0.07 -1.08 2.57 -2.30 -0.92 0.00 0.00 175.35 173.69 1k2n n PRO 582 N 4.49 0.36 -1.79 -1.68 -0.02 0.51 -2.26 135.00 134.62 1k2n n PRO 582 Ca -0.01 -0.03 -0.32 0.00 -2.02 0.00 0.00 63.50 61.12 1k2n n PRO 582 Cb 0.41 -2.19 0.03 0.00 -0.02 0.00 0.00 33.50 31.73 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 9.78 3.30 0.60 2.45 0.05 -1.01 -2.00 118.68 131.85 1k2n s LEU 583 Ca 1.22 1.72 0.28 0.00 0.05 0.00 0.00 54.13 57.40 1k2n s LEU 583 Cb -0.84 -4.51 1.36 0.00 -2.05 0.00 0.00 46.19 40.15 1k2n s LEU 583 CO 0.40 -1.33 1.76 -0.65 -0.55 0.00 0.00 176.35 175.99 1k2n h PRO 584 N -0.18 0.00 0.00 1.48 0.11 -1.89 0.62 132.00 132.14 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 1.22 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 -0.06 -0.44 -0.21 0.00 0.00 178.00 177.86 1k2n h ASP 585 N 0.00 0.00 -2.96 -2.05 5.19 -1.91 -3.41 116.42 111.28 1k2n h ASP 585 Ca 0.26 0.00 -0.54 0.00 -0.62 0.00 0.00 57.03 56.14 1k2n h ASP 585 Cb 1.54 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 41.03 1k2n h ASP 585 CO -0.00 0.06 -0.29 -0.55 -3.12 0.00 0.00 179.24 175.33 1k2n s SER 586 N -6.65 6.41 0.10 6.45 0.15 0.22 -4.85 113.70 115.53 1k2n s SER 586 Ca -0.04 0.49 0.06 0.00 0.70 0.00 0.00 55.95 57.15 1k2n s SER 586 Cb 0.16 -2.05 0.32 0.00 -1.71 0.00 0.00 66.02 62.74 1k2n s SER 586 CO 0.63 -0.06 1.14 2.30 1.20 0.00 0.00 173.24 178.45 1k2n n ILE 587 N -0.60 1.55 -3.77 6.45 -5.35 -0.15 -4.35 119.36 113.14 1k2n n ILE 587 Ca -0.04 0.57 -0.36 0.00 -0.27 0.00 0.00 62.75 62.65 1k2n n ILE 587 Cb 0.53 -1.57 -0.13 0.00 -1.74 0.00 0.00 39.64 36.73 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 -3.09 4.15 -0.83 7.28 1.01 -1.26 -5.01 121.20 123.45 1k2n s ILE 588 Ca -0.01 -0.30 0.01 0.00 0.00 0.00 0.00 60.65 60.35 1k2n s ILE 588 Cb 0.02 -2.97 0.34 0.00 0.01 0.00 0.00 42.46 39.85 1k2n s ILE 588 CO 0.05 0.30 1.53 0.00 0.00 0.00 0.00 174.94 176.82 1k2n n GLN 589 N 4.90 4.31 -4.55 2.79 3.00 -1.25 -3.54 117.38 123.05 1k2n n GLN 589 Ca -0.16 -4.59 -0.25 0.00 -0.01 0.00 0.00 57.00 51.99 1k2n n GLN 589 Cb 0.51 -2.36 -0.10 0.00 0.00 0.00 0.00 30.24 28.29 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 -3.98 1.84 -0.08 -1.09 0.41 -0.85 -4.99 118.70 109.96 1k2n s GLU 590 Ca 0.44 -2.06 0.02 0.00 -0.41 0.00 0.00 54.97 52.97 1k2n s GLU 590 Cb 0.26 -1.18 0.01 0.00 -1.78 0.00 0.00 34.13 31.45 1k2n s GLU 590 CO -0.17 -0.18 -0.13 -1.54 -0.49 0.00 0.00 175.26 172.75 1k2n s SER 591 N -3.62 1.96 -0.04 -0.19 1.04 -1.26 -0.36 113.70 111.22 1k2n s SER 591 Ca 0.32 -0.33 0.03 0.00 0.48 0.00 0.00 55.95 56.45 1k2n s SER 591 Cb 0.08 -0.88 -0.03 0.00 0.10 0.00 0.00 66.02 65.29 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 0.81 2.94 -0.19 2.42 1.43 0.70 -4.94 118.68 121.86 1k2n s LEU 592 Ca -0.12 -0.15 0.01 0.00 -1.03 0.00 0.00 54.13 52.85 1k2n s LEU 592 Cb -0.15 -1.64 0.04 0.00 0.03 0.00 0.00 46.19 44.46 1k2n s LEU 592 CO 0.02 0.33 -0.11 -1.61 0.23 0.00 0.00 176.35 175.21 1k2n s GLU 593 N -0.93 2.06 -0.49 1.70 2.02 -1.26 0.19 118.70 121.99 1k2n s GLU 593 Ca 0.13 -0.77 -0.27 0.00 0.02 0.00 0.00 54.97 54.08 1k2n s GLU 593 Cb -0.11 -2.33 0.03 0.00 0.10 0.00 0.00 34.13 31.82 1k2n s GLU 593 CO 0.02 -0.39 1.02 0.42 0.02 0.00 0.00 175.26 176.35 1k2n s ILE 594 N 1.42 4.33 -0.05 -1.63 1.01 0.37 -4.97 121.20 121.69 1k2n s ILE 594 Ca 0.00 0.84 -0.30 0.00 0.00 0.00 0.00 60.65 61.19 1k2n s ILE 594 Cb -0.15 -4.53 -0.06 0.00 0.01 0.00 0.00 42.46 37.73 1k2n s ILE 594 CO -0.09 -0.98 1.65 -1.58 0.00 0.00 0.00 174.94 173.94 1k2n s GLN 595 N 4.12 4.18 0.55 2.79 0.74 -1.26 -2.32 119.66 128.46 1k2n s GLN 595 Ca 0.40 2.19 0.39 0.00 0.05 0.00 0.00 55.36 58.39 1k2n s GLN 595 Cb -0.09 -3.97 1.58 0.00 1.10 0.00 0.00 33.01 31.63 1k2n s GLN 595 CO 0.27 -0.84 1.76 -0.56 -0.55 0.00 0.00 175.29 175.37 1k2n h GLN 596 N 9.47 0.00 0.00 1.67 -0.00 -1.82 0.97 115.11 125.41 1k2n h GLN 596 Ca -0.39 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.26 1k2n h GLN 596 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.66 1k2n h GLN 596 CO 0.95 0.00 0.00 0.78 -0.00 0.00 0.00 178.83 180.56 1k2n h GLY 597 N 0.00 0.00 -7.74 0.06 0.00 -1.89 -3.42 103.07 90.09 1k2n h GLY 597 Ca 0.62 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 47.30 1k2n h GLY 597 CO -0.01 0.00 -0.52 0.14 0.00 0.00 0.00 176.54 176.15 1k2n s VAL 598 N -3.47 5.11 -0.04 4.60 1.01 0.34 -5.06 120.40 122.89 1k2n s VAL 598 Ca 0.04 -0.06 -0.02 0.00 0.00 0.00 0.00 61.98 61.94 1k2n s VAL 598 Cb 0.09 -3.51 0.03 0.00 0.00 0.00 0.00 36.38 32.99 1k2n s VAL 598 CO 0.54 0.15 0.06 0.21 0.00 0.00 0.00 175.10 176.06 1k2n s ASN 599 N 1.71 0.82 0.42 3.32 2.47 -1.26 -4.00 114.94 118.41 1k2n s ASN 599 Ca 0.06 0.09 -0.03 0.00 0.42 0.00 0.00 52.86 53.41 1k2n s ASN 599 Cb -0.16 -0.09 -0.04 0.00 -1.45 0.00 0.00 41.25 39.51 1k2n s ASN 599 CO 0.09 -0.22 0.68 -2.16 -3.72 0.00 0.00 177.10 171.77 1k2n s PRO 600 N 1.88 3.52 -0.34 0.43 0.04 -1.26 -5.05 135.00 134.22 1k2n s PRO 600 Ca 0.01 -0.04 -0.19 0.00 0.04 0.00 0.00 61.00 60.82 1k2n s PRO 600 Cb -0.12 -2.51 -0.00 0.00 0.04 0.00 0.00 34.50 31.90 1k2n s PRO 600 CO -0.03 -0.04 0.56 0.12 0.04 0.00 0.00 177.00 177.65 1k2n s PHE 601 N -2.54 3.18 -0.01 0.56 5.36 0.15 -4.92 117.98 119.76 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 -2.98 -0.06 0.00 -0.34 0.00 0.00 43.02 39.55 1k2n s PHE 601 CO 0.40 -0.53 0.45 -0.06 -1.46 0.00 0.00 175.22 174.02 1k2n s PHE 602 N 2.51 3.70 0.02 10.12 0.08 -1.26 0.19 117.98 133.34 1k2n s PHE 602 Ca 0.21 1.02 0.06 0.00 0.12 0.00 0.00 56.93 58.35 1k2n s PHE 602 Cb -0.15 -2.38 -0.02 0.00 -0.57 0.00 0.00 43.02 39.90 1k2n s PHE 602 CO 0.13 0.54 -0.18 0.42 -0.10 0.00 0.00 175.22 176.03 1k2n s ILE 603 N -0.74 1.45 -4.21 0.64 1.09 0.51 0.14 121.20 120.08 1k2n s ILE 603 Ca 0.25 -1.00 0.00 0.00 -1.10 0.00 0.00 60.65 58.80 1k2n s ILE 603 Cb -0.17 -1.25 0.00 0.00 -1.06 0.00 0.00 42.46 39.98 1k2n s ILE 603 CO 0.14 0.23 0.00 0.61 -0.10 0.00 0.00 174.94 175.82 1k2n n GLY 604 N 2.14 -1.41 0.07 6.18 0.00 -1.15 -2.65 105.19 108.37 1k2n n GLY 604 Ca -0.16 -1.17 -0.13 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 0.05 -6.67 1.61 3.08 0.16 0.75 114.38 113.36 1k2n h ARG 605 Ca 0.00 -0.03 -0.52 0.00 0.07 0.00 0.00 59.98 59.50 1k2n h ARG 605 Cb 0.00 0.00 0.06 0.00 0.08 0.00 0.00 29.97 30.11 1k2n h ARG 605 CO 0.00 0.57 0.98 -1.12 -1.07 0.00 0.00 179.97 179.34 1k2n s SER 606 N -5.81 6.40 0.54 7.04 0.01 -0.85 -4.53 113.70 116.50 1k2n s SER 606 Ca -0.16 2.85 0.33 0.00 1.31 0.00 0.00 55.95 60.28 1k2n s SER 606 Cb 0.02 -2.60 1.82 0.00 0.21 0.00 0.00 66.02 65.46 1k2n s SER 606 CO 0.69 -0.95 2.01 -0.08 0.41 0.00 0.00 173.24 175.32 1k2n h GLU 607 N 6.56 0.00 -0.23 12.44 4.22 -1.89 -1.04 114.58 134.63 1k2n h GLU 607 Ca -0.43 0.00 0.07 0.00 0.08 0.00 0.00 59.36 59.07 1k2n h GLU 607 Cb 1.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 1k2n h GLU 607 CO 0.93 0.00 0.19 -0.44 -2.18 0.00 0.00 179.01 177.51 1k2n h ASP 608 N 0.00 0.00 -3.34 1.04 5.19 -1.91 -3.41 116.42 113.98 1k2n h ASP 608 Ca 0.00 0.00 -0.53 0.00 -0.62 0.00 0.00 57.03 55.88 1k2n h ASP 608 Cb 0.16 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.68 1k2n h ASP 608 CO 0.00 0.00 0.54 0.00 -3.12 0.00 0.00 179.24 176.66 1k2n h ASN 610 N 6.05 0.00 -3.57 0.00 2.35 -0.77 -3.37 115.58 116.27 1k2n h ASN 610 Ca -0.43 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 -0.17 0.00 0.05 0.00 0.00 38.32 39.41 1k2n h ASN 610 CO 0.78 0.00 -0.68 0.00 -1.65 0.00 0.00 177.43 175.87 1k2n s LYS 612 N -1.12 2.22 -0.18 0.00 -0.14 -1.26 -2.95 119.74 116.30 1k2n s LYS 612 Ca 0.15 -1.52 -0.05 0.00 -1.36 0.00 0.00 55.97 53.20 1k2n s LYS 612 Cb -0.11 -3.36 0.06 0.00 -1.68 0.00 0.00 37.83 32.74 1k2n s LYS 612 CO 0.05 -0.82 0.08 0.42 -0.76 0.00 0.00 175.35 174.32 1k2n s ILE 613 N 1.20 0.01 -0.42 2.17 -1.09 0.26 -4.94 121.20 118.39 1k2n s ILE 613 Ca 0.01 -0.26 -0.12 0.00 -2.23 0.00 0.00 60.65 58.06 1k2n s ILE 613 Cb -0.21 -0.67 0.06 0.00 -1.58 0.00 0.00 42.46 40.06 1k2n s ILE 613 CO -0.02 -0.29 0.29 -0.70 -1.23 0.00 0.00 174.94 172.98 1k2n s GLU 614 N 2.09 2.79 -0.24 2.79 2.12 -1.26 -0.19 118.70 126.80 1k2n s GLU 614 Ca 0.02 -1.31 -0.01 0.00 0.36 0.00 0.00 54.97 54.04 1k2n s GLU 614 Cb -0.16 -3.89 0.07 0.00 0.26 0.00 0.00 34.13 30.41 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 2.10 3.61 0.59 -1.70 2.15 -1.26 -5.00 116.67 117.16 1k2n s ASP 615 Ca 0.03 -1.20 0.36 0.00 0.43 0.00 0.00 52.55 52.18 1k2n s ASP 615 Cb -0.22 -0.94 1.29 0.00 -0.30 0.00 0.00 42.92 42.75 1k2n s ASP 615 CO 0.05 -0.30 1.47 -0.55 -0.17 0.00 0.00 175.17 175.67 1k2n h ASN 616 N 8.06 0.00 -0.30 -0.34 -1.07 -1.98 0.61 115.58 120.56 1k2n h ASN 616 Ca -0.16 0.00 -0.13 0.00 0.07 0.00 0.00 56.30 56.08 1k2n h ASN 616 Cb 1.07 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 37.32 1k2n h ASN 616 CO 0.40 0.00 -0.32 0.03 0.07 0.00 0.00 177.43 177.61 1k2n h ARG 617 N 0.00 0.75 -6.73 4.14 2.47 -2.02 -3.45 114.38 109.54 1k2n h ARG 617 Ca 0.64 -0.40 -0.49 0.00 -1.26 0.00 0.00 59.98 58.47 1k2n h ARG 617 Cb 3.09 0.02 0.02 0.00 -1.65 0.00 0.00 29.97 31.44 1k2n h ARG 617 CO -0.01 1.03 -0.02 -0.48 0.56 0.00 0.00 179.97 181.05 1k2n s LEU 618 N -8.94 3.83 0.75 3.04 0.05 0.21 -4.68 118.68 112.95 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 0.09 -3.67 0.04 0.00 -2.05 0.00 0.00 46.19 40.61 1k2n s LEU 618 CO 0.84 -0.42 1.09 -0.44 -0.55 0.00 0.00 176.35 176.87 1k2n s SER 619 N -3.86 4.92 0.56 1.48 0.01 -1.26 -4.68 113.70 110.87 1k2n s SER 619 Ca 0.45 1.28 0.31 0.00 1.31 0.00 0.00 55.95 59.30 1k2n s SER 619 Cb -0.10 -2.05 1.46 0.00 0.21 0.00 0.00 66.02 65.54 1k2n s SER 619 CO 0.39 -1.69 1.85 0.08 0.41 0.00 0.00 173.24 174.27 1k2n h ARG 620 N -0.90 0.00 -2.11 12.44 0.11 -1.95 -1.76 114.38 120.22 1k2n h ARG 620 Ca -0.46 0.00 -0.55 0.00 0.10 0.00 0.00 59.98 59.07 1k2n h ARG 620 Cb 1.26 0.00 -0.41 0.00 1.11 0.00 0.00 29.97 31.93 1k2n h ARG 620 CO 0.61 0.00 -0.91 0.28 0.10 0.00 0.00 179.97 180.05 1k2n n VAL 621 N -4.00 1.02 -0.21 0.08 0.31 -1.26 -0.78 118.33 113.48 1k2n n VAL 621 Ca 0.16 -4.81 0.02 0.00 -0.01 0.00 0.00 64.34 59.70 1k2n n VAL 621 Cb 0.94 -1.40 0.12 0.00 -0.91 0.00 0.00 33.84 32.59 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 3.53 0.15 -2.46 3.52 2.76 -1.13 -3.38 115.15 118.14 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 0.77 0.03 -0.13 0.00 1.55 0.00 0.00 27.41 29.62 1k2n h HIS 622 CO 0.58 -0.08 0.42 0.00 -1.30 0.00 0.00 177.93 177.56 1k2n s PHE 624 N -3.30 0.04 -0.18 0.00 -0.71 0.32 -0.37 117.98 113.78 1k2n s PHE 624 Ca 0.05 -0.10 -0.08 0.00 -1.04 0.00 0.00 56.93 55.76 1k2n s PHE 624 Cb -0.01 -0.05 -0.04 0.00 -1.21 0.00 0.00 43.02 41.70 1k2n s PHE 624 CO -0.08 -0.22 0.09 0.42 -1.34 0.00 0.00 175.22 174.09 1k2n s ILE 625 N -1.07 5.06 -0.05 -4.49 1.09 0.13 0.20 121.20 122.07 1k2n s ILE 625 Ca -0.12 0.06 0.04 0.00 -1.10 0.00 0.00 60.65 59.54 1k2n s ILE 625 Cb -0.06 -3.28 -0.00 0.00 -1.06 0.00 0.00 42.46 38.05 1k2n s ILE 625 CO 0.01 0.47 -0.19 0.12 -0.10 0.00 0.00 174.94 175.24 1k2n s PHE 626 N 0.25 1.93 -0.14 3.97 5.36 0.42 0.30 117.98 130.07 1k2n s PHE 626 Ca 0.06 -0.60 -0.08 0.00 -0.96 0.00 0.00 56.93 55.34 1k2n s PHE 626 Cb -0.12 -1.30 -0.04 0.00 -0.34 0.00 0.00 43.02 41.22 1k2n s PHE 626 CO -0.00 -0.22 0.15 -1.59 -1.46 0.00 0.00 175.22 172.10 1k2n s LYS 627 N 0.10 3.69 0.09 10.12 -2.85 -1.26 0.17 119.74 129.81 1k2n s LYS 627 Ca -0.07 -0.12 0.02 0.00 -1.00 0.00 0.00 55.97 54.80 1k2n s LYS 627 Cb -0.13 -3.26 -0.04 0.00 -2.06 0.00 0.00 37.83 32.34 1k2n s LYS 627 CO 0.03 0.63 -0.07 0.21 0.10 0.00 0.00 175.35 176.25 1k2n s LYS 628 N -0.60 0.80 -0.37 1.78 2.36 0.37 -4.88 119.74 119.20 1k2n s LYS 628 Ca 0.14 -1.27 -0.29 0.00 -2.55 0.00 0.00 55.97 51.99 1k2n s LYS 628 Cb -0.12 -0.21 0.01 0.00 -1.05 0.00 0.00 37.83 36.46 1k2n s LYS 628 CO 0.03 -0.01 1.33 0.50 1.55 0.00 0.00 175.35 178.74 1k2n s ARG 629 N -3.60 3.75 0.25 4.03 6.06 -1.26 0.24 118.95 128.43 1k2n s ARG 629 Ca 0.09 1.04 -0.30 0.00 -2.50 0.00 0.00 55.73 54.06 1k2n s ARG 629 Cb 0.04 -3.94 -0.10 0.00 0.06 0.00 0.00 34.95 31.01 1k2n s ARG 629 CO -0.04 -1.33 1.45 -1.58 -2.50 0.00 0.00 175.30 171.29 1k2n s HIS 630 N 4.82 3.01 -0.01 5.12 5.65 0.36 -4.89 115.29 129.36 1k2n s HIS 630 Ca 0.57 1.00 0.01 0.00 0.25 0.00 0.00 55.06 56.90 1k2n s HIS 630 Cb -0.14 -3.83 -0.04 0.00 -1.18 0.00 0.00 32.58 27.39 1k2n s HIS 630 CO 0.28 -2.72 0.02 0.00 -0.65 0.00 0.00 174.74 171.67 1k2n s ALA 631 N 0.05 3.34 0.24 1.58 0.00 -1.26 -3.85 121.76 121.85 1k2n s ALA 631 Ca 0.60 -0.93 0.03 0.00 0.00 0.00 0.00 51.96 51.67 1k2n s ALA 631 Cb -0.42 -1.40 -0.05 0.00 0.00 0.00 0.00 23.12 21.25 1k2n s ALA 631 CO 0.43 0.65 0.01 0.14 0.00 0.00 0.00 175.76 176.99 1k2n s VAL 632 N -1.09 1.00 0.00 0.00 -7.23 -1.26 -5.02 120.40 106.80 1k2n s VAL 632 Ca 0.20 -2.03 0.00 0.00 -1.81 0.00 0.00 61.98 58.34 1k2n s VAL 632 Cb -0.12 -2.39 0.00 0.00 0.56 0.00 0.00 36.38 34.44 1k2n s VAL 632 CO 0.10 -0.28 0.00 0.61 -0.31 0.00 0.00 175.10 175.22 1k2n n GLY 633 N -0.43 0.03 1.93 2.32 0.00 -1.26 -5.08 105.19 102.69 1k2n n GLY 633 Ca -0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 0.95 -3.51 1.61 5.02 -1.26 -5.14 118.16 115.83 1k2n n LYS 634 Ca 0.00 -1.65 -0.07 0.00 -2.02 0.00 0.00 58.31 54.57 1k2n n LYS 634 Cb 0.00 0.04 -0.08 0.00 -0.02 0.00 0.00 35.03 34.98 1k2n n LYS 634 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1k2n s SER 635 N -2.70 -0.30 -0.32 4.39 1.04 -1.26 -4.76 113.70 109.79 1k2n s SER 635 Ca 0.22 0.81 -0.08 0.00 0.48 0.00 0.00 55.95 57.38 1k2n s SER 635 Cb -0.02 1.45 0.01 0.00 0.10 0.00 0.00 66.02 67.57 1k2n s SER 635 CO 0.14 -0.25 0.12 -0.04 0.98 0.00 0.00 173.24 174.18 1k2n s MET 636 N 2.65 3.02 0.00 4.02 -1.94 -1.26 -4.84 119.30 120.94 1k2n s MET 636 Ca 0.04 -0.92 0.00 0.00 -1.71 0.00 0.00 55.69 53.11 1k2n s MET 636 Cb -0.13 -3.47 0.00 0.00 2.01 0.00 0.00 34.83 33.23 1k2n s MET 636 CO -0.15 -0.51 0.00 0.98 -0.01 0.00 0.00 175.02 175.33 1k2n n TYR 637 N 4.90 0.00 -3.33 -0.03 4.19 -1.26 -4.76 117.16 116.87 1k2n n TYR 637 Ca -0.14 0.00 -0.36 0.00 3.31 0.00 0.00 57.90 60.72 1k2n n TYR 637 Cb 0.47 0.00 -0.06 0.00 0.49 0.00 0.00 39.34 40.25 1k2n n TYR 637 CO 0.00 0.00 0.00 -2.00 0.91 0.00 0.00 176.86 175.77 1k2n s GLU 638 N 0.00 4.02 -0.41 2.98 2.12 -1.26 -5.05 118.70 121.11 1k2n s GLU 638 Ca 0.00 0.55 -0.22 0.00 0.36 0.00 0.00 54.97 55.66 1k2n s GLU 638 Cb 0.00 -2.95 0.02 0.00 0.26 0.00 0.00 34.13 31.45 1k2n s GLU 638 CO 0.00 0.49 0.72 -1.12 -0.54 0.00 0.00 175.26 174.80 1k2n s SER 639 N -1.65 6.42 0.00 -1.70 0.01 -1.26 -4.80 113.70 110.71 1k2n s SER 639 Ca 0.37 -0.00 0.00 0.00 1.31 0.00 0.00 55.95 57.63 1k2n s SER 639 Cb -0.16 -2.36 0.00 0.00 0.21 0.00 0.00 66.02 63.72 1k2n s SER 639 CO 0.19 -0.77 0.00 -2.65 0.41 0.00 0.00 173.24 170.42 1k2n n PRO 640 N 6.39 2.01 -0.16 12.44 -0.02 -1.26 -4.63 135.00 149.77 1k2n n PRO 640 Ca 0.01 0.00 0.29 0.00 -2.02 0.00 0.00 63.50 61.77 1k2n n PRO 640 Cb 0.48 0.00 0.67 0.00 -0.02 0.00 0.00 33.50 34.64 1k2n n PRO 640 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1k2n h ALA 641 N -2.03 2.74 -0.06 3.55 0.00 -1.96 -3.45 119.26 118.05 1k2n h ALA 641 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1k2n h ALA 641 Cb 0.00 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1k2n h ALA 641 CO 0.00 -1.28 0.00 0.94 0.00 0.00 0.00 179.25 178.91 1k2n n GLN 642 N -3.75 0.00 0.00 0.00 7.27 -1.26 -4.24 117.38 115.40 1k2n n GLN 642 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.26 1k2n n GLN 642 Cb 1.12 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.77 1k2n n GLN 642 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1k2n n GLY 643 N 0.00 -1.70 0.00 1.69 0.00 -1.26 -4.60 105.19 99.31 1k2n n GLY 643 Ca 0.00 0.74 0.00 0.00 0.00 0.00 0.00 46.02 46.76 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 -4.89 0.99 4.32 -1.25 -4.94 117.00 111.23 1k2n n LEU 644 Ca 0.00 0.00 -0.33 0.00 -0.02 0.00 0.00 56.01 55.66 1k2n n LEU 644 Cb 0.00 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 41.75 1k2n n LEU 644 CO 0.00 0.00 -0.17 -1.81 -1.22 0.00 0.00 177.39 174.19 1k2n s ASP 645 N 1.00 6.26 0.21 -1.43 1.01 -0.23 0.14 116.67 123.63 1k2n s ASP 645 Ca 0.00 0.31 0.07 0.00 0.71 0.00 0.00 52.55 53.65 1k2n s ASP 645 Cb 0.00 -1.94 -0.05 0.00 1.01 0.00 0.00 42.92 41.94 1k2n s ASP 645 CO 0.00 0.26 -0.13 -0.62 0.21 0.00 0.00 175.17 174.89 1k2n s ASP 646 N -1.94 2.56 -0.25 0.27 -1.08 0.68 0.14 116.67 117.04 1k2n s ASP 646 Ca 0.27 -1.04 -0.02 0.00 -0.52 0.00 0.00 52.55 51.24 1k2n s ASP 646 Cb -0.13 -0.13 0.02 0.00 -1.46 0.00 0.00 42.92 41.23 1k2n s ASP 646 CO 0.19 -0.20 -0.06 0.27 0.52 0.00 0.00 175.17 175.89 1k2n s ILE 647 N -2.99 2.92 -0.13 4.11 -4.36 -1.26 0.14 121.20 119.63 1k2n s ILE 647 Ca 0.23 -0.99 -0.06 0.00 -0.26 0.00 0.00 60.65 59.57 1k2n s ILE 647 Cb -0.00 -2.48 -0.04 0.00 1.25 0.00 0.00 42.46 41.19 1k2n s ILE 647 CO 0.07 0.20 0.08 0.26 0.24 0.00 0.00 174.94 175.80 1k2n s TRP 648 N 1.34 3.39 -0.31 1.37 0.52 0.45 -0.73 118.94 124.97 1k2n s TRP 648 Ca 0.00 0.32 -0.18 0.00 0.02 0.00 0.00 56.10 56.26 1k2n s TRP 648 Cb -0.17 -1.95 -0.02 0.00 -1.15 0.00 0.00 33.47 30.19 1k2n s TRP 648 CO -0.04 0.50 0.51 -0.47 0.02 0.00 0.00 176.95 177.46 1k2n s TYR 649 N -0.56 3.22 -0.19 -1.98 5.04 0.31 0.16 117.35 123.36 1k2n s TYR 649 Ca 0.11 0.41 -0.08 0.00 -2.44 0.00 0.00 57.07 55.07 1k2n s TYR 649 Cb -0.12 -2.82 -0.04 0.00 0.35 0.00 0.00 41.96 39.32 1k2n s TYR 649 CO 0.02 -0.41 0.10 0.00 -1.34 0.00 0.00 175.55 173.92 1k2n s HIS 651 N 0.27 2.92 0.00 0.00 2.46 -0.45 0.12 115.29 120.61 1k2n s HIS 651 Ca 0.06 -0.32 0.00 0.00 0.47 0.00 0.00 55.06 55.27 1k2n s HIS 651 Cb -0.12 -1.85 0.00 0.00 -0.13 0.00 0.00 32.58 30.49 1k2n s HIS 651 CO -0.01 0.01 0.39 0.25 -2.47 0.00 0.00 174.74 172.92 1k2n n THR 652 N 3.15 0.13 -2.69 0.89 -2.24 0.43 0.11 114.28 114.05 1k2n n THR 652 Ca -0.18 -0.33 -0.35 0.00 -2.27 0.00 0.00 64.05 60.92 1k2n n THR 652 Cb 0.53 1.28 -0.05 0.00 -2.10 0.00 0.00 70.33 69.98 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 -0.13 2.57 0.21 3.38 0.00 0.65 -4.80 107.32 109.19 1k2n s GLY 653 Ca 0.00 0.53 0.03 0.00 0.00 0.00 0.00 44.72 45.29 1k2n s GLY 653 CO 0.00 0.88 1.49 0.00 0.00 0.00 0.00 173.10 175.48 1k2n h THR 654 N 2.02 1.42 0.00 0.90 1.03 -1.91 -3.02 112.91 113.35 1k2n h THR 654 Ca -0.49 -2.18 0.00 0.00 -0.01 0.00 0.00 66.41 63.74 1k2n h THR 654 Cb 1.20 2.14 0.00 0.00 -1.07 0.00 0.00 68.15 70.42 1k2n h THR 654 CO 0.62 0.64 0.00 0.59 -0.01 0.00 0.00 175.52 177.36 1k2n n ASN 655 N -3.81 0.00 -1.75 0.00 3.02 -1.26 -4.85 115.26 106.61 1k2n n ASN 655 Ca -0.03 -0.59 0.00 0.00 -0.03 0.00 0.00 54.58 53.93 1k2n n ASN 655 Cb 0.68 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.84 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 -1.01 -3.38 -3.42 2.41 3.14 -1.14 -4.86 118.33 110.07 1k2n n VAL 656 Ca 0.15 1.57 -0.19 0.00 -2.96 0.00 0.00 64.34 62.90 1k2n n VAL 656 Cb 0.07 -2.02 -0.01 0.00 -1.06 0.00 0.00 33.84 30.82 1k2n n VAL 656 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 1k2n s SER 657 N -1.60 5.80 -0.12 6.55 0.01 0.85 -4.71 113.70 120.49 1k2n s SER 657 Ca 0.00 -0.29 0.00 0.00 1.31 0.00 0.00 55.95 56.98 1k2n s SER 657 Cb 0.00 -1.07 0.02 0.00 0.21 0.00 0.00 66.02 65.18 1k2n s SER 657 CO 0.00 -0.49 -0.10 -0.31 0.41 0.00 0.00 173.24 172.75 1k2n s TYR 658 N -2.23 1.66 -0.59 2.43 1.51 0.41 0.15 117.35 120.68 1k2n s TYR 658 Ca 0.47 -0.83 -0.19 0.00 -1.01 0.00 0.00 57.07 55.50 1k2n s TYR 658 Cb -0.09 -1.31 0.10 0.00 -0.11 0.00 0.00 41.96 40.56 1k2n s TYR 658 CO 0.31 -0.52 0.71 -1.17 -1.11 0.00 0.00 175.55 173.76 1k2n s LEU 659 N 1.51 5.40 0.00 -1.29 2.96 0.12 0.18 118.68 127.56 1k2n s LEU 659 Ca 0.02 -1.44 0.00 0.00 -0.22 0.00 0.00 54.13 52.49 1k2n s LEU 659 Cb -0.13 -2.30 0.00 0.00 0.50 0.00 0.00 46.19 44.26 1k2n s LEU 659 CO -0.07 -1.12 0.00 -3.20 -1.32 0.00 0.00 176.35 170.64 1k2n n ASN 660 N 6.33 0.00 0.00 3.68 2.85 -1.14 -0.09 115.26 126.88 1k2n n ASN 660 Ca -0.09 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.38 1k2n n ASN 660 Cb 0.42 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.44 1k2n n ASN 660 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1k2n n ASN 661 N 1.40 0.41 -4.84 1.20 3.02 -1.26 -5.01 115.26 110.18 1k2n n ASN 661 Ca 0.00 -0.87 -0.35 0.00 -0.03 0.00 0.00 54.58 53.32 1k2n n ASN 661 Cb 0.00 0.08 -0.06 0.00 -0.61 0.00 0.00 39.78 39.19 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 -0.08 6.12 0.24 6.41 0.01 0.87 -5.09 114.94 123.41 1k2n s ASN 662 Ca 0.00 0.35 -0.27 0.00 -0.71 0.00 0.00 52.86 52.23 1k2n s ASN 662 Cb 0.00 -1.91 -0.09 0.00 0.41 0.00 0.00 41.25 39.66 1k2n s ASN 662 CO 0.00 0.36 0.88 -0.60 -1.51 0.00 0.00 177.10 176.23 1k2n s ARG 663 N -1.29 4.68 -0.39 -0.60 3.52 -1.26 0.16 118.95 123.76 1k2n s ARG 663 Ca 0.18 1.32 0.04 0.00 -0.13 0.00 0.00 55.73 57.14 1k2n s ARG 663 Cb -0.12 -3.14 0.11 0.00 -1.56 0.00 0.00 34.95 30.24 1k2n s ARG 663 CO 0.08 0.47 0.12 -1.64 -0.81 0.00 0.00 175.30 173.52 1k2n s MET 664 N -1.42 1.56 0.56 5.12 -1.94 0.41 -4.83 119.30 118.76 1k2n s MET 664 Ca 0.42 -2.03 -0.05 0.00 -1.71 0.00 0.00 55.69 52.32 1k2n s MET 664 Cb -0.23 -3.12 0.00 0.00 2.01 0.00 0.00 34.83 33.49 1k2n s MET 664 CO 0.28 -1.00 0.85 0.96 -0.01 0.00 0.00 175.02 176.10 1k2n s ILE 665 N 0.60 3.77 -0.59 2.53 -4.36 -1.26 -0.11 121.20 121.78 1k2n s ILE 665 Ca 0.13 -0.09 -0.28 0.00 -0.26 0.00 0.00 60.65 60.15 1k2n s ILE 665 Cb -0.21 -3.47 -0.11 0.00 1.25 0.00 0.00 42.46 39.92 1k2n s ILE 665 CO -0.07 -0.45 2.47 1.67 0.24 0.00 0.00 174.94 178.80 1k2n n GLN 666 N -2.47 0.83 0.00 0.37 7.27 -1.25 -1.75 117.38 120.39 1k2n n GLN 666 Ca 0.04 0.03 0.00 0.00 0.07 0.00 0.00 57.00 57.14 1k2n n GLN 666 Cb 0.57 -2.94 0.00 0.00 2.41 0.00 0.00 30.24 30.28 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 6.14 1.22 3.51 1.69 0.00 0.30 -4.94 105.19 113.11 1k2n n GLY 667 Ca 0.44 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.21 1k2n n GLY 667 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1k2n s THR 668 N -2.00 2.39 0.05 2.61 -4.23 -0.72 -0.52 115.64 113.21 1k2n s THR 668 Ca 0.00 -2.30 0.04 0.00 -1.18 0.00 0.00 61.69 58.26 1k2n s THR 668 Cb 0.00 -2.48 -0.02 0.00 1.34 0.00 0.00 72.50 71.34 1k2n s THR 668 CO 0.00 -0.30 -0.13 -0.75 -0.54 0.00 0.00 174.62 172.90 1k2n s LYS 669 N -3.56 0.82 -0.05 3.99 2.20 0.24 -1.34 119.74 122.04 1k2n s LYS 669 Ca 0.31 -0.79 -0.10 0.00 -0.36 0.00 0.00 55.97 55.03 1k2n s LYS 669 Cb -0.01 -0.80 0.02 0.00 -1.51 0.00 0.00 37.83 35.53 1k2n s LYS 669 CO 0.16 0.19 0.25 0.12 -0.36 0.00 0.00 175.35 175.71 1k2n s PHE 670 N -1.01 -0.19 0.18 4.03 5.36 -0.20 -0.23 117.98 125.92 1k2n s PHE 670 Ca -0.01 0.41 -0.30 0.00 -0.96 0.00 0.00 56.93 56.06 1k2n s PHE 670 Cb -0.08 0.07 -0.09 0.00 -0.34 0.00 0.00 43.02 42.58 1k2n s PHE 670 CO 0.01 -0.24 1.34 -1.17 -1.46 0.00 0.00 175.22 173.70 1k2n s LEU 671 N -0.60 4.40 -0.17 6.12 1.98 -1.26 0.12 118.68 129.27 1k2n s LEU 671 Ca -0.07 2.40 -0.01 0.00 -2.89 0.00 0.00 54.13 53.56 1k2n s LEU 671 Cb -0.04 -3.60 -0.01 0.00 0.66 0.00 0.00 46.19 43.20 1k2n s LEU 671 CO 0.02 -0.57 -0.12 -0.76 -1.89 0.00 0.00 176.35 173.03 1k2n s LEU 672 N 0.17 2.63 0.14 -0.68 1.43 0.09 -4.84 118.68 117.61 1k2n s LEU 672 Ca 0.59 -0.42 0.09 0.00 -1.03 0.00 0.00 54.13 53.35 1k2n s LEU 672 Cb -0.37 -1.62 -0.04 0.00 0.03 0.00 0.00 46.19 44.19 1k2n s LEU 672 CO 0.37 0.07 -0.13 -1.10 0.23 0.00 0.00 176.35 175.78 1k2n s GLN 673 N 0.90 1.95 -0.26 1.70 -0.21 -1.26 -4.52 119.66 117.95 1k2n s GLN 673 Ca -0.03 -1.18 -0.39 0.00 0.02 0.00 0.00 55.36 53.78 1k2n s GLN 673 Cb -0.15 -2.17 -0.15 0.00 1.00 0.00 0.00 33.01 31.54 1k2n s GLN 673 CO -0.01 0.47 1.80 -3.47 -2.12 0.00 0.00 175.29 171.96 1k2n n ASP 674 N 0.51 2.52 -0.11 5.90 -0.08 1.02 -1.54 116.55 124.78 1k2n n ASP 674 Ca -0.13 1.02 0.00 0.00 -1.51 0.00 0.00 54.79 54.17 1k2n n ASP 674 Cb 0.54 -1.18 0.00 0.00 2.34 0.00 0.00 41.12 42.82 1k2n n ASP 674 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1k2n n GLY 675 N 4.40 1.15 3.49 0.27 0.00 0.52 -4.81 105.19 110.21 1k2n n GLY 675 Ca 0.27 -0.25 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.34 6.23 -0.44 1.61 1.11 -0.36 -4.76 116.67 117.72 1k2n s ASP 676 Ca 0.00 -0.58 -0.17 0.00 0.18 0.00 0.00 52.55 51.97 1k2n s ASP 676 Cb 0.00 -2.25 0.03 0.00 1.07 0.00 0.00 42.92 41.77 1k2n s ASP 676 CO 0.00 -0.63 0.46 -1.61 1.18 0.00 0.00 175.17 174.57 1k2n s GLU 677 N 2.31 3.08 -0.12 8.23 8.01 -1.26 0.12 118.70 139.07 1k2n s GLU 677 Ca 0.15 -0.85 -0.04 0.00 0.01 0.00 0.00 54.97 54.24 1k2n s GLU 677 Cb -0.16 -4.01 -0.03 0.00 -4.31 0.00 0.00 34.13 25.62 1k2n s GLU 677 CO 0.15 -0.93 0.03 0.42 0.01 0.00 0.00 175.26 174.94 1k2n s ILE 678 N 2.15 4.52 -0.32 -1.63 1.01 -0.20 -2.89 121.20 123.83 1k2n s ILE 678 Ca 0.12 -0.16 -0.21 0.00 0.00 0.00 0.00 60.65 60.40 1k2n s ILE 678 Cb -0.18 -2.95 -0.00 0.00 0.01 0.00 0.00 42.46 39.34 1k2n s ILE 678 CO 0.13 0.56 0.65 -0.54 0.00 0.00 0.00 174.94 175.73 1k2n s LYS 679 N -0.48 3.83 0.01 2.79 1.02 0.49 -1.22 119.74 126.18 1k2n s LYS 679 Ca 0.09 0.24 0.01 0.00 0.02 0.00 0.00 55.97 56.33 1k2n s LYS 679 Cb -0.12 -3.75 -0.26 0.00 -0.52 0.00 0.00 37.83 33.18 1k2n s LYS 679 CO 0.02 -0.64 0.88 0.82 -0.92 0.00 0.00 175.35 175.51 1k2n h ILE 680 N 5.59 1.18 -2.42 2.17 2.04 -1.75 1.18 117.51 125.50 1k2n h ILE 680 Ca -0.26 -2.87 -0.07 0.00 1.00 0.00 0.00 64.86 62.66 1k2n h ILE 680 Cb 1.11 2.71 -0.24 0.00 -0.74 0.00 0.00 36.82 39.66 1k2n h ILE 680 CO 0.82 0.79 -0.17 -0.51 0.00 0.00 0.00 178.15 179.08 1k2n s ILE 681 N -2.63 -0.01 -0.04 -0.67 1.10 -1.24 -4.28 121.20 113.42 1k2n s ILE 681 Ca -0.07 0.05 0.00 0.00 -0.51 0.00 0.00 60.65 60.12 1k2n s ILE 681 Cb 0.07 -0.75 0.03 0.00 0.15 0.00 0.00 42.46 41.96 1k2n s ILE 681 CO 0.84 0.02 -0.01 0.86 -2.11 0.00 0.00 174.94 174.54 1k2n s TRP 682 N 1.31 0.52 -0.16 3.50 -0.00 -1.19 0.81 118.94 123.73 1k2n s TRP 682 Ca -0.08 -0.09 0.00 0.00 -0.00 0.00 0.00 56.10 55.93 1k2n s TRP 682 Cb -0.07 -0.59 0.03 0.00 -0.00 0.00 0.00 33.47 32.85 1k2n s TRP 682 CO -0.13 -0.20 -0.09 0.34 -0.00 0.00 0.00 176.95 176.87 1k2n s ASP 683 N 1.28 2.83 0.06 5.86 -1.08 0.36 -4.91 116.67 121.07 1k2n s ASP 683 Ca -0.06 -0.62 -0.20 0.00 -0.52 0.00 0.00 52.55 51.15 1k2n s ASP 683 Cb -0.13 -1.03 -0.12 0.00 -1.46 0.00 0.00 42.92 40.17 1k2n s ASP 683 CO -0.02 -0.14 1.45 0.11 0.52 0.00 0.00 175.17 177.09 1k2n h LYS 684 N 8.08 0.34 0.25 4.34 1.57 -1.94 0.69 116.57 129.90 1k2n h LYS 684 Ca -0.29 -0.13 -0.33 0.00 -1.87 0.00 0.00 60.65 58.03 1k2n h LYS 684 Cb 1.12 -0.02 0.04 0.00 0.08 0.00 0.00 32.23 33.44 1k2n h LYS 684 CO 0.45 0.61 -1.43 -0.91 -0.57 0.00 0.00 179.45 177.59 1k2n h ASN 685 N 0.06 0.82 0.79 0.86 -0.26 -1.99 -3.29 115.58 112.56 1k2n h ASN 685 Ca 0.05 -0.92 0.00 0.00 -0.56 0.00 0.00 56.30 54.86 1k2n h ASN 685 Cb 0.48 -0.27 0.00 0.00 -1.06 0.00 0.00 38.32 37.47 1k2n h ASN 685 CO 0.02 1.69 -0.27 -3.20 -1.06 0.00 0.00 177.43 174.61 1k2n n ASN 686 N -3.75 0.31 -1.48 5.81 5.15 -1.25 -4.91 115.26 115.14 1k2n n ASN 686 Ca -0.17 0.14 -0.19 0.00 -0.60 0.00 0.00 54.58 53.76 1k2n n ASN 686 Cb 1.08 -0.13 -0.08 0.00 -0.53 0.00 0.00 39.78 40.12 1k2n n ASN 686 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1k2n n LYS 687 N -1.58 -1.50 -2.44 1.20 5.02 0.24 -4.89 118.16 114.20 1k2n n LYS 687 Ca 0.06 1.17 -0.42 0.00 -2.02 0.00 0.00 58.31 57.10 1k2n n LYS 687 Cb 0.35 -5.56 -0.03 0.00 -0.02 0.00 0.00 35.03 29.77 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 -2.62 2.34 -0.12 2.13 2.19 -1.04 -4.78 117.98 116.09 1k2n s PHE 688 Ca 0.00 0.41 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 -1.91 -0.14 0.54 1.83 0.00 0.00 175.22 175.54 1k2n s VAL 689 N 5.83 1.45 0.13 3.12 0.11 -1.25 0.14 120.40 129.93 1k2n s VAL 689 Ca 0.49 -0.60 0.07 0.00 -2.93 0.00 0.00 61.98 59.00 1k2n s VAL 689 Cb -0.10 -1.35 -0.04 0.00 -1.53 0.00 0.00 36.38 33.37 1k2n s VAL 689 CO 0.24 0.43 -0.15 -0.63 -3.33 0.00 0.00 175.10 171.66 1k2n s ILE 690 N 1.16 1.45 -0.30 7.04 1.01 0.24 -0.98 121.20 130.83 1k2n s ILE 690 Ca -0.03 -1.77 -0.21 0.00 0.00 0.00 0.00 60.65 58.63 1k2n s ILE 690 Cb -0.14 -1.62 0.20 0.00 0.01 0.00 0.00 42.46 40.91 1k2n s ILE 690 CO -0.04 -0.40 1.35 -0.83 0.00 0.00 0.00 174.94 175.03 1k2n s GLY 691 N -2.52 0.46 0.02 6.18 0.00 -1.26 -2.45 107.32 107.74 1k2n s GLY 691 Ca 0.11 3.64 0.05 0.00 0.00 0.00 0.00 44.72 48.52 1k2n s GLY 691 CO 0.04 2.29 -0.12 -1.36 0.00 0.00 0.00 173.10 173.95 1k2n s PHE 692 N 0.47 2.73 -0.31 1.90 0.08 -0.35 -2.40 117.98 120.09 1k2n s PHE 692 Ca 0.01 -0.14 -0.12 0.00 0.12 0.00 0.00 56.93 56.80 1k2n s PHE 692 Cb -0.04 -1.55 -0.03 0.00 -0.57 0.00 0.00 43.02 40.84 1k2n s PHE 692 CO -0.13 0.31 0.20 0.21 -0.10 0.00 0.00 175.22 175.71 1k2n s LYS 693 N -1.39 3.62 -0.07 0.44 2.20 -0.96 -1.04 119.74 122.55 1k2n s LYS 693 Ca 0.16 -0.55 -0.30 0.00 -0.36 0.00 0.00 55.97 54.92 1k2n s LYS 693 Cb -0.11 -3.70 -0.02 0.00 -1.51 0.00 0.00 37.83 32.49 1k2n s LYS 693 CO 0.06 -0.35 1.05 0.08 -0.36 0.00 0.00 175.35 175.83 1k2n s VAL 694 N 1.71 4.66 -0.21 4.02 1.01 0.32 -0.34 120.40 131.57 1k2n s VAL 694 Ca 0.06 1.93 -0.02 0.00 0.00 0.00 0.00 61.98 63.95 1k2n s VAL 694 Cb -0.17 -4.24 0.06 0.00 0.00 0.00 0.00 36.38 32.03 1k2n s VAL 694 CO 0.10 0.04 0.03 -0.70 0.00 0.00 0.00 175.10 174.56 1k2n s GLU 695 N 1.82 0.78 -0.57 2.72 2.12 0.43 0.19 118.70 126.19 1k2n s GLU 695 Ca 0.51 -0.54 -0.26 0.00 0.36 0.00 0.00 54.97 55.04 1k2n s GLU 695 Cb -0.21 -2.16 0.04 0.00 0.26 0.00 0.00 34.13 32.06 1k2n s GLU 695 CO 0.21 -0.66 1.08 0.42 -0.54 0.00 0.00 175.26 175.77 1k2n s ILE 696 N 1.78 4.17 -0.15 -3.70 1.01 -1.26 0.22 121.20 123.27 1k2n s ILE 696 Ca -0.01 0.60 -0.17 0.00 0.00 0.00 0.00 60.65 61.06 1k2n s ILE 696 Cb -0.17 -4.65 -0.24 0.00 0.01 0.00 0.00 42.46 37.41 1k2n s ILE 696 CO -0.09 -1.26 0.40 0.78 0.00 0.00 0.00 174.94 174.77 1k2n h ASN 697 N 9.46 0.21 -3.66 3.58 -0.26 -1.41 -3.47 115.58 120.03 1k2n h ASN 697 Ca -0.26 -0.75 -0.68 0.00 -0.56 0.00 0.00 56.30 54.06 1k2n h ASN 697 Cb 1.06 -0.07 -0.19 0.00 -1.06 0.00 0.00 38.32 38.07 1k2n h ASN 697 CO 1.15 1.57 -0.70 -0.62 -1.06 0.00 0.00 177.43 177.77 1k2n s ASP 698 N -6.91 4.63 -0.41 5.81 2.15 -1.14 -5.06 116.67 115.74 1k2n s ASP 698 Ca -0.24 -0.05 -0.02 0.00 0.43 0.00 0.00 52.55 52.67 1k2n s ASP 698 Cb 0.05 -1.14 0.11 0.00 -0.30 0.00 0.00 42.92 41.64 1k2n s ASP 698 CO 0.69 0.34 0.20 0.42 -0.17 0.00 0.00 175.17 176.66 1k2n s THR 699 N -0.85 3.21 -1.58 1.71 -4.23 -1.26 -4.62 115.64 108.02 1k2n s THR 699 Ca 0.13 -2.14 -0.09 0.00 -1.18 0.00 0.00 61.69 58.42 1k2n s THR 699 Cb -0.11 -3.21 -0.05 0.00 1.34 0.00 0.00 72.50 70.47 1k2n s THR 699 CO 0.03 -0.69 2.86 1.07 -0.54 0.00 0.00 174.62 177.35 1k2n n THR 700 N 4.50 4.47 -2.49 3.99 5.66 -1.26 -4.46 114.28 124.69 1k2n n THR 700 Ca -0.01 -2.87 -0.08 0.00 -3.05 0.00 0.00 64.05 58.04 1k2n n THR 700 Cb 0.41 -2.53 0.04 0.00 -1.55 0.00 0.00 70.33 66.70 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 3.29 -0.20 3.78 1.09 0.00 -1.26 -4.78 105.19 107.10 1k2n n GLY 701 Ca 0.76 0.16 -0.38 0.00 0.00 0.00 0.00 46.02 46.56 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 -4.31 4.38 0.48 0.99 2.01 -1.26 -1.07 118.68 119.90 1k2n s LEU 702 Ca 0.23 1.89 0.34 0.00 0.01 0.00 0.00 54.13 56.59 1k2n s LEU 702 Cb -0.03 -3.95 1.46 0.00 0.01 0.00 0.00 46.19 43.68 1k2n s LEU 702 CO 0.40 -0.07 1.69 2.19 1.01 0.00 0.00 176.35 181.57 1k2n h PHE 703 N 3.30 0.31 0.00 0.29 -0.00 0.93 -3.31 116.94 118.45 1k2n h PHE 703 Ca -0.47 0.01 0.00 0.00 -0.00 0.00 0.00 57.97 57.52 1k2n h PHE 703 Cb 1.20 -0.08 0.00 0.00 -0.00 0.00 0.00 35.95 37.06 1k2n h PHE 703 CO 0.61 -0.06 0.00 -1.71 -0.00 0.00 0.00 178.31 177.15 1k2n n ASN 704 N -4.40 0.00 0.00 -0.68 5.15 -1.26 -4.43 115.26 109.64 1k2n n ASN 704 Ca 0.33 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.31 1k2n n ASN 704 Cb 1.40 0.01 0.00 0.00 -0.53 0.00 0.00 39.78 40.65 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 -1.72 0.00 0.00 1.20 0.28 -1.25 -4.75 120.64 114.40 1k2n n GLU 705 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1k2n n GLU 705 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1k2n n GLU 705 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1k2n n GLY 706 N 0.00 1.61 0.38 -1.84 0.00 -1.26 -4.51 105.19 99.57 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 -0.10 0.00 0.00 0.00 173.32 173.22 1k2n n LEU 707 N 0.00 1.12 0.00 0.99 7.94 -1.26 0.34 117.00 126.13 1k2n n LEU 707 Ca 0.00 -0.52 0.00 0.00 -1.11 0.00 0.00 56.01 54.38 1k2n n LEU 707 Cb 0.00 -0.11 0.00 0.00 0.53 0.00 0.00 43.42 43.84 1k2n n LEU 707 CO 0.00 0.26 0.00 0.61 -1.11 0.00 0.00 177.39 177.15 1k2n n GLY 708 N 0.92 3.11 1.51 -3.96 0.00 -1.26 -4.93 105.19 100.58 1k2n n GLY 708 Ca 0.11 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.29 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 -3.21 -0.57 1.61 1.56 -1.26 -4.31 117.12 110.93 1k2n n MET 709 Ca 0.00 2.50 -0.19 0.00 -0.27 0.00 0.00 57.70 59.74 1k2n n MET 709 Cb 0.00 -2.61 -0.00 0.00 2.15 0.00 0.00 33.22 32.76 1k2n n MET 709 CO 0.00 0.00 0.00 1.47 -0.73 0.00 0.00 175.97 176.71 1k2n n LEU 710 N 1.10 -1.04 -4.02 -0.89 -0.00 -1.26 -1.25 117.00 109.64 1k2n n LEU 710 Ca 0.00 0.39 -0.30 0.00 -0.00 0.00 0.00 56.01 56.10 1k2n n LEU 710 Cb 0.00 -0.39 -0.01 0.00 -0.00 0.00 0.00 43.42 43.02 1k2n n LEU 710 CO 0.00 -1.66 -0.08 0.00 -0.00 0.00 0.00 177.39 175.64 1k2n n GLN 711 N 0.54 -3.81 -1.75 1.47 1.13 -1.26 -4.79 117.38 108.91 1k2n n GLN 711 Ca 0.06 0.45 -0.43 0.00 -1.94 0.00 0.00 57.00 55.13 1k2n n GLN 711 Cb 0.15 -4.96 -0.03 0.00 0.11 0.00 0.00 30.24 25.52 1k2n n GLN 711 CO 0.00 0.00 0.00 -1.83 -1.44 0.00 0.00 177.06 173.79 1k2n s GLU 712 N -6.66 3.18 -0.67 -1.09 -1.05 -0.38 -4.91 118.70 107.13 1k2n s GLU 712 Ca 0.39 1.80 -0.26 0.00 -0.15 0.00 0.00 54.97 56.75 1k2n s GLU 712 Cb -0.20 -4.31 0.04 0.00 -0.44 0.00 0.00 34.13 29.21 1k2n s GLU 712 CO 0.89 -2.04 1.16 -0.65 0.95 0.00 0.00 175.26 175.57 1k2n s GLN 713 N 6.14 3.26 -1.15 -4.83 -1.52 -1.26 -4.94 119.66 115.36 1k2n s GLN 713 Ca 0.93 -0.24 -0.09 0.00 -1.95 0.00 0.00 55.36 54.01 1k2n s GLN 713 Cb -0.29 -4.14 0.25 0.00 -0.22 0.00 0.00 33.01 28.61 1k2n s GLN 713 CO 0.34 -1.91 1.37 0.54 -0.25 0.00 0.00 175.29 175.39 1k2n n ARG 714 N 8.64 3.73 -4.83 2.91 5.12 -1.26 -4.87 116.66 126.09 1k2n n ARG 714 Ca 0.03 -4.22 -0.27 0.00 -1.93 0.00 0.00 57.85 51.45 1k2n n ARG 714 Cb 0.48 -2.70 -0.15 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 -0.75 1.77 -0.12 1.55 -7.23 -1.26 -4.93 120.40 109.44 1k2n s VAL 715 Ca 0.35 -1.15 -0.29 0.00 -1.81 0.00 0.00 61.98 59.08 1k2n s VAL 715 Cb -0.03 -1.51 -0.01 0.00 0.56 0.00 0.00 36.38 35.39 1k2n s VAL 715 CO -0.01 0.33 0.99 -0.69 -0.31 0.00 0.00 175.10 175.41 1k2n s VAL 716 N -0.70 4.79 0.40 1.32 1.01 -1.26 -4.66 120.40 121.29 1k2n s VAL 716 Ca 0.09 1.99 0.08 0.00 0.00 0.00 0.00 61.98 64.14 1k2n s VAL 716 Cb -0.09 -4.29 -0.01 0.00 0.00 0.00 0.00 36.38 31.99 1k2n s VAL 716 CO 0.01 0.00 0.47 -0.76 0.00 0.00 0.00 175.10 174.82 1k2n s LEU 717 N 2.06 3.63 -0.02 3.92 1.02 0.67 -4.89 118.68 125.07 1k2n s LEU 717 Ca 0.47 -0.48 -0.01 0.00 0.02 0.00 0.00 54.13 54.13 1k2n s LEU 717 Cb -0.18 -2.46 -0.04 0.00 0.02 0.00 0.00 46.19 43.53 1k2n s LEU 717 CO 0.17 -0.63 0.10 -0.75 0.02 0.00 0.00 176.35 175.26 1k2n s LYS 718 N -4.22 3.17 0.54 1.70 2.36 -1.26 0.82 119.74 122.85 1k2n s LYS 718 Ca 0.50 -0.42 -0.10 0.00 -2.55 0.00 0.00 55.97 53.40 1k2n s LYS 718 Cb -0.08 -2.93 -0.05 0.00 -1.05 0.00 0.00 37.83 33.72 1k2n s LYS 718 CO 0.31 0.67 0.93 -0.65 1.55 0.00 0.00 175.35 178.15 1k2n s GLN 719 N -1.69 3.66 0.24 4.03 -0.21 0.32 -4.73 119.66 121.28 1k2n s GLN 719 Ca 0.23 0.61 0.01 0.00 0.02 0.00 0.00 55.36 56.23 1k2n s GLN 719 Cb -0.12 -2.20 -0.00 0.00 1.00 0.00 0.00 33.01 31.68 1k2n s GLN 719 CO 0.14 -0.37 0.04 0.25 -2.12 0.00 0.00 175.29 173.23 1k2n n THR 720 N -2.27 0.00 -0.19 -0.19 -2.24 -1.26 -4.97 114.28 103.15 1k2n n THR 720 Ca 0.04 -1.25 0.15 0.00 -2.27 0.00 0.00 64.05 60.72 1k2n n THR 720 Cb 0.54 0.36 0.49 0.00 -2.10 0.00 0.00 70.33 69.62 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 1.26 2.09 -0.37 6.98 0.00 -1.98 -0.79 119.26 126.44 1k2n h ALA 721 Ca -0.19 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.74 1k2n h ALA 721 Cb 0.65 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1k2n h ALA 721 CO 0.31 -0.31 0.22 1.49 0.00 0.00 0.00 179.25 180.97 1k2n h GLU 722 N 0.46 0.44 -0.13 0.00 4.22 -1.99 0.17 114.58 117.75 1k2n h GLU 722 Ca 0.40 -0.03 -0.02 0.00 0.08 0.00 0.00 59.36 59.79 1k2n h GLU 722 Cb 0.88 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.02 1k2n h GLU 722 CO -0.14 0.29 -0.01 0.93 -2.18 0.00 0.00 179.01 177.90 1k2n h GLU 723 N 0.46 0.23 -0.31 1.92 3.07 -1.57 -2.92 114.58 115.46 1k2n h GLU 723 Ca 0.14 -0.08 0.00 0.00 -0.50 0.00 0.00 59.36 58.92 1k2n h GLU 723 Cb -0.01 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 27.86 1k2n h GLU 723 CO -0.06 0.50 0.21 -0.22 -1.40 0.00 0.00 179.01 178.04 1k2n h LYS 724 N -0.05 0.41 -0.78 2.33 3.64 -1.11 -1.94 116.57 119.08 1k2n h LYS 724 Ca 0.03 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.35 1k2n h LYS 724 Cb 0.40 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.09 1k2n h LYS 724 CO 0.01 0.27 0.31 0.22 -2.27 0.00 0.00 179.45 177.99 1k2n h ASP 725 N 0.43 1.07 -0.58 4.20 3.58 -0.49 0.58 116.42 125.19 1k2n h ASP 725 Ca 0.12 -0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.40 1k2n h ASP 725 Cb -0.05 -0.28 -0.03 0.00 1.72 0.00 0.00 39.33 40.70 1k2n h ASP 725 CO -0.02 0.94 0.37 -0.07 -2.88 0.00 0.00 179.24 177.58 1k2n h LEU 726 N 1.13 0.69 0.00 2.28 3.38 -1.18 -2.64 115.31 118.97 1k2n h LEU 726 Ca 0.26 -0.04 -0.17 0.00 0.09 0.00 0.00 57.88 58.02 1k2n h LEU 726 Cb 0.21 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1k2n h LEU 726 CO -0.02 0.53 -0.84 1.62 0.09 0.00 0.00 178.44 179.82 1k2n h VAL 727 N 0.79 1.32 -0.77 1.22 3.04 -1.39 -3.28 116.25 117.18 1k2n h VAL 727 Ca 0.21 -2.88 0.15 0.00 -1.01 0.00 0.00 66.70 63.17 1k2n h VAL 727 Cb -0.05 2.64 -0.05 0.00 -2.01 0.00 0.00 31.29 31.82 1k2n h VAL 727 CO -0.04 0.75 0.51 0.50 -1.01 0.00 0.00 177.57 178.28 1k2n h LYS 728 N 0.00 0.42 0.00 4.17 3.64 0.53 0.23 116.57 125.56 1k2n h LYS 728 Ca -0.02 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.25 1k2n h LYS 728 Cb 1.62 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 33.33 1k2n h LYS 728 CO 0.10 0.28 -0.42 0.87 -2.27 0.00 0.00 179.45 178.01 1k2n h LYS 729 N 0.43 0.00 0.00 1.90 1.79 -1.58 -3.51 116.57 115.60 1k2n h LYS 729 Ca 0.38 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.85 1k2n h LYS 729 Cb 0.86 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.51 1k2n h LYS 729 CO -0.12 0.41 0.00 -0.11 -1.08 0.00 0.00 179.45 178.54