#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 -2.05 -3.39 115.58 114.09 1k2n h ASN 574 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1k2n h ASN 574 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1k2n h ASN 574 CO 0.00 0.11 0.00 0.61 -1.65 0.00 0.00 177.43 176.50 1k2n n GLY 575 N -0.02 0.00 3.67 2.83 0.00 -1.26 -5.06 105.19 105.34 1k2n n GLY 575 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 4.16 -0.03 1.61 3.00 -1.26 -1.66 118.95 124.77 1k2n s ARG 576 Ca 0.00 0.19 -0.07 0.00 -1.00 0.00 0.00 55.73 54.85 1k2n s ARG 576 Cb 0.00 -3.55 -0.02 0.00 0.00 0.00 0.00 34.95 31.38 1k2n s ARG 576 CO 0.00 -0.06 -0.14 0.34 0.00 0.00 0.00 175.30 175.44 1k2n n PHE 577 N 4.54 0.00 -4.30 5.12 7.35 -0.79 -3.91 117.46 125.47 1k2n n PHE 577 Ca -0.08 0.00 -0.34 0.00 -0.76 0.00 0.00 57.45 56.27 1k2n n PHE 577 Cb 0.51 -0.20 -0.09 0.00 0.35 0.00 0.00 39.48 40.05 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 -6.98 3.60 -0.27 -2.13 0.20 -0.79 -1.51 118.68 110.79 1k2n s LEU 578 Ca -0.12 0.08 -0.03 0.00 0.69 0.00 0.00 54.13 54.76 1k2n s LEU 578 Cb 0.02 -1.96 0.02 0.00 -0.43 0.00 0.00 46.19 43.84 1k2n s LEU 578 CO 0.17 0.32 -0.01 -0.89 -0.29 0.00 0.00 176.35 175.66 1k2n s THR 579 N -1.01 3.22 -0.38 3.68 2.01 0.18 0.20 115.64 123.54 1k2n s THR 579 Ca 0.17 -0.98 -0.09 0.00 0.31 0.00 0.00 61.69 61.10 1k2n s THR 579 Cb -0.11 -2.68 0.05 0.00 0.01 0.00 0.00 72.50 69.76 1k2n s THR 579 CO 0.07 0.11 0.19 -0.76 -0.69 0.00 0.00 174.62 173.54 1k2n s LEU 580 N 1.37 4.71 -0.34 4.42 1.43 0.44 0.23 118.68 130.94 1k2n s LEU 580 Ca 0.00 -1.19 0.03 0.00 -1.03 0.00 0.00 54.13 51.94 1k2n s LEU 580 Cb -0.17 -1.96 0.09 0.00 0.03 0.00 0.00 46.19 44.18 1k2n s LEU 580 CO -0.02 -0.41 0.05 -1.59 0.23 0.00 0.00 176.35 174.61 1k2n s LYS 581 N 1.47 1.69 -0.63 1.70 -2.85 -0.43 0.17 119.74 120.86 1k2n s LYS 581 Ca 0.01 -1.78 -0.35 0.00 -1.00 0.00 0.00 55.97 52.85 1k2n s LYS 581 Cb -0.20 -3.23 -0.17 0.00 -2.06 0.00 0.00 37.83 32.17 1k2n s LYS 581 CO 0.04 -0.90 2.38 -2.30 0.10 0.00 0.00 175.35 174.67 1k2n n PRO 582 N 4.34 0.41 -1.81 1.78 -0.02 0.10 -2.89 135.00 136.90 1k2n n PRO 582 Ca 0.00 0.07 -0.32 0.00 -2.02 0.00 0.00 63.50 61.24 1k2n n PRO 582 Cb 0.42 -1.99 0.03 0.00 -0.02 0.00 0.00 33.50 31.94 1k2n n PRO 582 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 1k2n s LEU 583 N 8.16 3.32 0.57 2.45 2.34 -1.14 -2.08 118.68 132.30 1k2n s LEU 583 Ca 1.20 1.71 0.28 0.00 0.06 0.00 0.00 54.13 57.39 1k2n s LEU 583 Cb -1.08 -4.51 1.49 0.00 -0.56 0.00 0.00 46.19 41.52 1k2n s LEU 583 CO 0.51 -1.30 1.96 1.55 -1.06 0.00 0.00 176.35 178.01 1k2n h PRO 584 N -0.13 0.00 0.00 1.48 0.13 -1.90 0.32 132.00 131.90 1k2n h PRO 584 Ca -0.45 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 1k2n h PRO 584 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 1k2n h PRO 584 CO 0.57 0.00 -0.04 -0.44 -0.23 0.00 0.00 178.00 177.86 1k2n h ASP 585 N 0.00 0.00 -2.93 1.44 5.19 -1.92 -3.42 116.42 114.78 1k2n h ASP 585 Ca 0.22 0.00 -0.54 0.00 -0.62 0.00 0.00 57.03 56.09 1k2n h ASP 585 Cb 1.06 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.55 1k2n h ASP 585 CO -0.00 0.04 -0.30 -0.55 -3.12 0.00 0.00 179.24 175.31 1k2n s SER 586 N -6.02 6.41 0.30 6.45 0.15 0.11 -4.77 113.70 116.33 1k2n s SER 586 Ca -0.04 0.47 0.15 0.00 0.70 0.00 0.00 55.95 57.23 1k2n s SER 586 Cb 0.14 -2.04 0.84 0.00 -1.71 0.00 0.00 66.02 63.25 1k2n s SER 586 CO 0.54 -0.05 1.41 2.30 1.20 0.00 0.00 173.24 178.64 1k2n n ILE 587 N -0.60 0.84 -4.04 6.45 -5.35 -1.12 -4.35 119.36 111.19 1k2n n ILE 587 Ca -0.04 0.72 -0.35 0.00 -0.27 0.00 0.00 62.75 62.81 1k2n n ILE 587 Cb 0.54 -1.72 -0.12 0.00 -1.74 0.00 0.00 39.64 36.59 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 -3.37 4.15 -0.73 7.28 1.01 -1.26 -5.02 121.20 123.26 1k2n s ILE 588 Ca -0.02 -0.25 0.03 0.00 0.00 0.00 0.00 60.65 60.41 1k2n s ILE 588 Cb 0.04 -2.88 0.34 0.00 0.01 0.00 0.00 42.46 39.98 1k2n s ILE 588 CO 0.14 0.42 1.32 0.00 0.00 0.00 0.00 174.94 176.82 1k2n n GLN 589 N 4.18 3.93 -4.49 2.79 3.00 -1.25 -3.64 117.38 121.90 1k2n n GLN 589 Ca -0.17 -4.68 -0.23 0.00 -0.01 0.00 0.00 57.00 51.91 1k2n n GLN 589 Cb 0.52 -2.32 -0.11 0.00 0.00 0.00 0.00 30.24 28.34 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 -3.80 1.71 -0.09 -1.09 8.01 -0.88 -4.99 118.70 117.57 1k2n s GLU 590 Ca 0.46 -1.94 -0.00 0.00 0.01 0.00 0.00 54.97 53.50 1k2n s GLU 590 Cb 0.28 -1.15 0.02 0.00 -4.31 0.00 0.00 34.13 28.97 1k2n s GLU 590 CO -0.16 -0.10 -0.06 -1.54 0.01 0.00 0.00 175.26 173.41 1k2n s SER 591 N -3.54 1.91 0.12 -0.19 1.04 -1.26 0.02 113.70 111.81 1k2n s SER 591 Ca 0.35 -0.24 0.08 0.00 0.48 0.00 0.00 55.95 56.61 1k2n s SER 591 Cb 0.08 -0.72 -0.04 0.00 0.10 0.00 0.00 66.02 65.44 1k2n s SER 591 CO 0.15 -0.12 -0.10 -0.76 0.98 0.00 0.00 173.24 173.39 1k2n s LEU 592 N 1.62 3.01 -0.17 2.42 2.01 0.45 -4.92 118.68 123.09 1k2n s LEU 592 Ca 0.02 -0.43 0.01 0.00 0.01 0.00 0.00 54.13 53.74 1k2n s LEU 592 Cb -0.13 -1.79 0.03 0.00 0.01 0.00 0.00 46.19 44.31 1k2n s LEU 592 CO -0.06 0.16 -0.12 -1.61 1.01 0.00 0.00 176.35 175.74 1k2n s GLU 593 N -2.32 2.11 -0.44 1.70 8.01 -1.26 0.17 118.70 126.66 1k2n s GLU 593 Ca 0.22 -0.69 -0.28 0.00 0.01 0.00 0.00 54.97 54.22 1k2n s GLU 593 Cb -0.11 -2.25 0.01 0.00 -4.31 0.00 0.00 34.13 27.48 1k2n s GLU 593 CO 0.14 -0.34 1.46 0.42 0.01 0.00 0.00 175.26 176.95 1k2n s ILE 594 N 1.45 3.82 -0.31 -1.63 1.01 0.54 -4.89 121.20 121.19 1k2n s ILE 594 Ca 0.02 0.81 -0.29 0.00 0.00 0.00 0.00 60.65 61.19 1k2n s ILE 594 Cb -0.15 -4.19 -0.02 0.00 0.01 0.00 0.00 42.46 38.11 1k2n s ILE 594 CO -0.09 -0.82 1.72 -1.10 0.00 0.00 0.00 174.94 174.65 1k2n s GLN 595 N 5.19 3.48 0.24 2.79 -0.21 -1.26 -1.88 119.66 128.01 1k2n s GLN 595 Ca 0.61 1.44 -0.12 0.00 0.02 0.00 0.00 55.36 57.31 1k2n s GLN 595 Cb -0.14 -4.14 0.33 0.00 1.00 0.00 0.00 33.01 30.06 1k2n s GLN 595 CO 0.31 -1.68 1.46 0.00 -2.12 0.00 0.00 175.29 173.26 1k2n n GLN 596 N 8.21 -0.15 -0.00 2.91 10.64 -0.66 0.20 117.38 138.52 1k2n n GLN 596 Ca 0.21 1.46 0.22 0.00 -1.83 0.00 0.00 57.00 57.06 1k2n n GLN 596 Cb 0.46 -2.17 0.59 0.00 -0.86 0.00 0.00 30.24 28.26 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 -7.71 2.61 0.00 -1.90 -3.36 103.07 92.72 1k2n h GLY 597 Ca 0.39 0.00 -0.65 0.00 0.00 0.00 0.00 47.33 47.06 1k2n h GLY 597 CO -0.95 0.00 -0.44 0.14 0.00 0.00 0.00 176.54 175.29 1k2n s VAL 598 N -4.47 5.27 -0.04 4.60 1.01 0.53 -5.05 120.40 122.25 1k2n s VAL 598 Ca -0.03 0.08 -0.02 0.00 0.00 0.00 0.00 61.98 62.01 1k2n s VAL 598 Cb 0.14 -3.65 0.03 0.00 0.00 0.00 0.00 36.38 32.90 1k2n s VAL 598 CO 0.46 0.11 0.06 0.21 0.00 0.00 0.00 175.10 175.94 1k2n s ASN 599 N 1.73 0.87 0.43 3.32 2.47 -1.26 -3.98 114.94 118.53 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 -0.22 0.70 -2.16 -3.72 0.00 0.00 177.10 171.81 1k2n s PRO 600 N 1.92 3.52 -0.36 0.43 0.04 -1.26 -5.04 135.00 134.26 1k2n s PRO 600 Ca 0.02 0.02 -0.20 0.00 0.04 0.00 0.00 61.00 60.87 1k2n s PRO 600 Cb -0.12 -2.48 0.00 0.00 0.04 0.00 0.00 34.50 31.94 1k2n s PRO 600 CO -0.03 -0.08 0.61 0.12 0.04 0.00 0.00 177.00 177.66 1k2n s PHE 601 N -2.59 3.16 -0.01 0.56 5.36 0.16 -4.90 117.98 119.72 1k2n s PHE 601 Ca 0.45 0.30 -0.16 0.00 -0.96 0.00 0.00 56.93 56.55 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 0.42 -0.61 0.45 -0.06 -1.46 0.00 0.00 175.22 173.96 1k2n s PHE 602 N 2.63 3.71 0.09 10.12 0.40 -1.26 0.32 117.98 133.98 1k2n s PHE 602 Ca 0.23 1.03 0.08 0.00 -0.60 0.00 0.00 56.93 57.68 1k2n s PHE 602 Cb -0.15 -2.38 -0.03 0.00 0.51 0.00 0.00 43.02 40.97 1k2n s PHE 602 CO 0.14 0.54 -0.22 0.42 0.70 0.00 0.00 175.22 176.81 1k2n s ILE 603 N -0.76 1.80 -4.90 0.64 1.09 0.69 0.13 121.20 119.88 1k2n s ILE 603 Ca 0.25 -1.47 0.00 0.00 -1.10 0.00 0.00 60.65 58.33 1k2n s ILE 603 Cb -0.17 -1.60 0.00 0.00 -1.06 0.00 0.00 42.46 39.63 1k2n s ILE 603 CO 0.14 0.05 0.00 0.61 -0.10 0.00 0.00 174.94 175.64 1k2n n GLY 604 N 1.30 -1.62 0.12 6.18 0.00 -1.13 -2.80 105.19 107.24 1k2n n GLY 604 Ca -0.19 -1.24 -0.12 0.00 0.00 0.00 0.00 46.02 44.47 1k2n n GLY 604 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1k2n h ARG 605 N 0.00 -0.18 -6.76 1.61 3.08 0.17 0.64 114.38 112.95 1k2n h ARG 605 Ca 0.00 0.01 -0.53 0.00 0.07 0.00 0.00 59.98 59.54 1k2n h ARG 605 Cb 0.00 0.04 0.07 0.00 0.08 0.00 0.00 29.97 30.17 1k2n h ARG 605 CO 0.00 0.24 0.92 -1.12 -1.07 0.00 0.00 179.97 178.94 1k2n s SER 606 N -5.44 6.38 0.62 7.04 0.01 -1.04 -4.53 113.70 116.75 1k2n s SER 606 Ca -0.14 2.92 0.37 0.00 1.31 0.00 0.00 55.95 60.41 1k2n s SER 606 Cb 0.02 -2.62 2.03 0.00 0.21 0.00 0.00 66.02 65.66 1k2n s SER 606 CO 0.58 -0.93 2.14 -0.08 0.41 0.00 0.00 173.24 175.37 1k2n h GLU 607 N 5.46 0.00 -0.62 12.44 4.81 -1.90 -1.16 114.58 133.61 1k2n h GLU 607 Ca -0.46 0.00 0.15 0.00 -0.13 0.00 0.00 59.36 58.93 1k2n h GLU 607 Cb 1.21 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.56 1k2n h GLU 607 CO 0.84 0.00 0.43 -0.44 -0.73 0.00 0.00 179.01 179.11 1k2n h ASP 608 N 0.00 0.13 -3.12 1.04 5.19 -1.91 -3.40 116.42 114.35 1k2n h ASP 608 Ca 0.00 0.01 -0.54 0.00 -0.62 0.00 0.00 57.03 55.88 1k2n h ASP 608 Cb 0.20 -0.02 -0.00 0.00 0.18 0.00 0.00 39.33 39.69 1k2n h ASP 608 CO 0.00 0.07 0.64 0.00 -3.12 0.00 0.00 179.24 176.83 1k2n h ASN 610 N 7.06 0.13 -3.27 0.00 -0.26 0.07 -3.36 115.58 115.95 1k2n h ASN 610 Ca -0.40 0.06 -0.67 0.00 -0.56 0.00 0.00 56.30 54.73 1k2n h ASN 610 Cb 1.20 0.05 -0.14 0.00 -1.06 0.00 0.00 38.32 38.37 1k2n h ASN 610 CO 0.84 -0.07 -0.61 0.00 -1.06 0.00 0.00 177.43 176.53 1k2n s LYS 612 N -1.19 2.30 -0.18 0.00 2.36 -1.26 -2.84 119.74 118.94 1k2n s LYS 612 Ca 0.16 -1.53 -0.05 0.00 -2.55 0.00 0.00 55.97 52.01 1k2n s LYS 612 Cb -0.11 -3.50 0.06 0.00 -1.05 0.00 0.00 37.83 33.22 1k2n s LYS 612 CO 0.06 -0.88 0.08 0.42 1.55 0.00 0.00 175.35 176.58 1k2n s ILE 613 N 1.26 0.01 -0.43 5.43 -1.09 0.22 -4.94 121.20 121.66 1k2n s ILE 613 Ca 0.03 -0.23 -0.13 0.00 -2.23 0.00 0.00 60.65 58.08 1k2n s ILE 613 Cb -0.22 -0.65 0.06 0.00 -1.58 0.00 0.00 42.46 40.07 1k2n s ILE 613 CO -0.01 -0.28 0.30 -0.70 -1.23 0.00 0.00 174.94 173.02 1k2n s GLU 614 N 2.09 2.83 -0.24 2.79 -6.30 -1.26 -0.33 118.70 118.29 1k2n s GLU 614 Ca 0.02 -1.28 -0.01 0.00 -2.50 0.00 0.00 54.97 51.20 1k2n s GLU 614 Cb -0.16 -3.93 0.07 0.00 0.00 0.00 0.00 34.13 30.11 1k2n s GLU 614 CO -0.09 -0.90 0.01 0.34 0.02 0.00 0.00 175.26 174.63 1k2n s ASP 615 N 2.12 3.63 0.57 -1.70 2.15 -1.26 -5.00 116.67 117.18 1k2n s ASP 615 Ca 0.03 -1.20 0.43 0.00 0.43 0.00 0.00 52.55 52.24 1k2n s ASP 615 Cb -0.22 -0.95 1.50 0.00 -0.30 0.00 0.00 42.92 42.95 1k2n s ASP 615 CO 0.06 -0.30 1.51 -0.55 -0.17 0.00 0.00 175.17 175.72 1k2n h ASN 616 N 8.06 0.00 -0.35 -0.34 -1.07 -1.98 0.58 115.58 120.47 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 -0.01 0.00 -2.07 0.00 0.00 38.32 37.32 1k2n h ASN 616 CO 0.40 0.00 -0.29 0.03 0.07 0.00 0.00 177.43 177.64 1k2n h ARG 617 N 0.00 0.82 -6.78 4.14 2.47 -2.02 -3.45 114.38 109.57 1k2n h ARG 617 Ca 0.79 -0.41 -0.49 0.00 -1.26 0.00 0.00 59.98 58.61 1k2n h ARG 617 Cb 3.45 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 31.79 1k2n h ARG 617 CO -0.01 1.05 0.02 -0.48 0.56 0.00 0.00 179.97 181.11 1k2n s LEU 618 N -8.99 3.79 0.84 3.04 0.05 0.20 -4.65 118.68 112.97 1k2n s LEU 618 Ca -0.12 0.83 -0.12 0.00 0.05 0.00 0.00 54.13 54.77 1k2n s LEU 618 Cb 0.10 -3.74 0.10 0.00 -2.05 0.00 0.00 46.19 40.60 1k2n s LEU 618 CO 0.85 -0.45 1.18 -0.44 -0.55 0.00 0.00 176.35 176.94 1k2n s SER 619 N -3.85 4.19 0.30 1.48 0.01 -1.26 -4.71 113.70 109.87 1k2n s SER 619 Ca 0.46 0.78 0.05 0.00 1.31 0.00 0.00 55.95 58.55 1k2n s SER 619 Cb -0.10 -1.26 0.79 0.00 0.21 0.00 0.00 66.02 65.66 1k2n s SER 619 CO 0.39 -2.10 1.68 0.03 0.41 0.00 0.00 173.24 173.65 1k2n h ARG 620 N -1.19 0.34 -2.17 12.44 -0.00 -1.95 -2.31 114.38 119.54 1k2n h ARG 620 Ca -0.47 -0.02 -0.59 0.00 -0.50 0.00 0.00 59.98 58.40 1k2n h ARG 620 Cb 1.32 -0.08 -0.42 0.00 0.00 0.00 0.00 29.97 30.80 1k2n h ARG 620 CO 0.63 0.23 -0.66 0.28 0.00 0.00 0.00 179.97 180.45 1k2n n VAL 621 N -5.08 2.02 -0.21 2.04 0.31 -1.26 -0.62 118.33 115.53 1k2n n VAL 621 Ca 0.24 -5.09 0.02 0.00 -0.01 0.00 0.00 64.34 59.49 1k2n n VAL 621 Cb 0.72 -2.05 0.12 0.00 -0.91 0.00 0.00 33.84 31.72 1k2n n VAL 621 CO 0.00 0.00 0.00 -0.74 -1.32 0.00 0.00 176.83 174.77 1k2n h HIS 622 N 4.10 0.14 -2.54 3.52 2.76 -1.24 -3.39 115.15 118.49 1k2n h HIS 622 Ca 0.18 0.04 0.09 0.00 -2.20 0.00 0.00 60.37 58.48 1k2n h HIS 622 Cb 0.68 0.04 -0.12 0.00 1.55 0.00 0.00 27.41 29.56 1k2n h HIS 622 CO 0.68 -0.09 0.40 0.00 -1.30 0.00 0.00 177.93 177.62 1k2n s PHE 624 N -3.39 0.09 -0.16 0.00 -0.12 0.21 -0.23 117.98 114.38 1k2n s PHE 624 Ca 0.06 -0.24 -0.07 0.00 -0.05 0.00 0.00 56.93 56.63 1k2n s PHE 624 Cb -0.02 -0.08 -0.04 0.00 -0.63 0.00 0.00 43.02 42.25 1k2n s PHE 624 CO -0.06 -0.30 0.08 0.42 -0.05 0.00 0.00 175.22 175.32 1k2n s ILE 625 N -1.66 4.98 -0.07 -4.49 1.09 0.15 0.15 121.20 121.36 1k2n s ILE 625 Ca -0.13 0.03 0.04 0.00 -1.10 0.00 0.00 60.65 59.49 1k2n s ILE 625 Cb -0.06 -3.22 0.00 0.00 -1.06 0.00 0.00 42.46 38.12 1k2n s ILE 625 CO 0.00 0.50 -0.19 0.12 -0.10 0.00 0.00 174.94 175.27 1k2n s PHE 626 N -0.03 1.98 -0.12 3.97 5.36 0.44 0.38 117.98 129.97 1k2n s PHE 626 Ca 0.07 -0.69 -0.10 0.00 -0.96 0.00 0.00 56.93 55.25 1k2n s PHE 626 Cb -0.12 -1.35 -0.05 0.00 -0.34 0.00 0.00 43.02 41.17 1k2n s PHE 626 CO 0.01 -0.27 0.21 0.21 -1.46 0.00 0.00 175.22 173.92 1k2n s LYS 627 N 0.25 3.79 0.14 10.12 2.20 -1.26 0.15 119.74 135.13 1k2n s LYS 627 Ca -0.11 -0.01 0.05 0.00 -0.36 0.00 0.00 55.97 55.54 1k2n s LYS 627 Cb -0.15 -3.28 -0.04 0.00 -1.51 0.00 0.00 37.83 32.86 1k2n s LYS 627 CO 0.05 0.59 -0.11 0.21 -0.36 0.00 0.00 175.35 175.73 1k2n s LYS 628 N -0.54 1.05 -0.32 4.03 2.36 0.24 -4.92 119.74 121.63 1k2n s LYS 628 Ca 0.16 -1.40 -0.29 0.00 -2.55 0.00 0.00 55.97 51.89 1k2n s LYS 628 Cb -0.13 -0.68 0.01 0.00 -1.05 0.00 0.00 37.83 35.98 1k2n s LYS 628 CO 0.05 0.09 1.27 0.50 1.55 0.00 0.00 175.35 178.81 1k2n s ARG 629 N -3.49 3.90 -0.02 4.03 6.06 -1.26 0.19 118.95 128.36 1k2n s ARG 629 Ca 0.15 1.15 -0.28 0.00 -2.50 0.00 0.00 55.73 54.25 1k2n s ARG 629 Cb 0.01 -3.87 -0.03 0.00 0.06 0.00 0.00 34.95 31.11 1k2n s ARG 629 CO 0.01 -1.14 0.91 -1.58 -2.50 0.00 0.00 175.30 171.00 1k2n s HIS 630 N 4.36 3.64 0.14 5.12 5.65 0.45 -4.85 115.29 129.80 1k2n s HIS 630 Ca 0.55 1.59 -0.20 0.00 0.25 0.00 0.00 55.06 57.25 1k2n s HIS 630 Cb -0.15 -3.04 0.06 0.00 -1.18 0.00 0.00 32.58 28.26 1k2n s HIS 630 CO 0.23 0.01 0.52 0.00 -0.65 0.00 0.00 174.74 174.85 1k2n s ALA 631 N 0.95 -1.32 0.41 1.58 0.00 -1.26 -1.28 121.76 120.84 1k2n s ALA 631 Ca 0.49 0.27 0.08 0.00 0.00 0.00 0.00 51.96 52.79 1k2n s ALA 631 Cb -0.20 0.79 -0.03 0.00 0.00 0.00 0.00 23.12 23.68 1k2n s ALA 631 CO 0.26 -0.71 0.30 0.14 0.00 0.00 0.00 175.76 175.75 1k2n s VAL 632 N -3.73 2.62 -0.79 0.00 -7.23 -1.26 -5.04 120.40 104.96 1k2n s VAL 632 Ca 0.02 -1.47 -0.26 0.00 -1.81 0.00 0.00 61.98 58.46 1k2n s VAL 632 Cb 0.00 -3.01 0.00 0.00 0.56 0.00 0.00 36.38 33.94 1k2n s VAL 632 CO -0.12 -0.02 1.64 -0.83 -0.31 0.00 0.00 175.10 175.45 1k2n s GLY 633 N -4.04 0.59 -0.04 2.32 0.00 -1.26 -4.47 107.32 100.42 1k2n s GLY 633 Ca 0.45 -1.36 -0.01 0.00 0.00 0.00 0.00 44.72 43.80 1k2n s GLY 633 CO 0.26 3.08 0.01 0.58 0.00 0.00 0.00 173.10 177.03 1k2n n LYS 634 N 9.11 -1.07 -1.56 2.90 2.85 -1.26 -4.80 118.16 124.33 1k2n n LYS 634 Ca 0.22 1.23 -0.41 0.00 -1.05 0.00 0.00 58.31 58.30 1k2n n LYS 634 Cb 0.50 -1.62 0.01 0.00 -0.65 0.00 0.00 35.03 33.27 1k2n n LYS 634 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1k2n n SER 635 N 1.55 0.56 -3.64 -5.58 3.41 -1.26 -5.00 113.62 103.65 1k2n n SER 635 Ca -0.02 0.98 -0.05 0.00 -0.26 0.00 0.00 58.87 59.53 1k2n n SER 635 Cb 0.33 -1.28 -0.07 0.00 -0.26 0.00 0.00 64.21 62.94 1k2n n SER 635 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1k2n s MET 636 N -1.92 0.49 0.00 4.33 1.00 -1.26 -5.00 119.30 116.94 1k2n s MET 636 Ca 0.64 0.81 0.00 0.00 0.00 0.00 0.00 55.69 57.14 1k2n s MET 636 Cb -0.57 0.12 0.00 0.00 0.00 0.00 0.00 34.83 34.38 1k2n s MET 636 CO 0.56 -0.10 0.00 0.98 0.00 0.00 0.00 175.02 176.47 1k2n n TYR 637 N 3.67 0.00 -2.58 -0.03 9.36 -1.26 -4.83 117.16 121.49 1k2n n TYR 637 Ca -0.18 0.00 -0.38 0.00 3.32 0.00 0.00 57.90 60.66 1k2n n TYR 637 Cb 0.58 0.00 -0.05 0.00 -0.63 0.00 0.00 39.34 39.24 1k2n n TYR 637 CO 0.00 0.00 0.00 -2.00 0.22 0.00 0.00 176.86 175.08 1k2n s GLU 638 N 0.00 4.39 -0.47 2.98 2.12 -1.26 -5.02 118.70 121.44 1k2n s GLU 638 Ca 0.00 1.55 -0.10 0.00 0.36 0.00 0.00 54.97 56.78 1k2n s GLU 638 Cb 0.00 -2.78 0.11 0.00 0.26 0.00 0.00 34.13 31.72 1k2n s GLU 638 CO 0.00 0.05 0.35 -1.12 -0.54 0.00 0.00 175.26 174.00 1k2n s SER 639 N -1.38 5.77 0.20 -1.70 0.01 -1.26 -4.97 113.70 110.35 1k2n s SER 639 Ca 0.52 -1.77 0.00 0.00 1.31 0.00 0.00 55.95 56.01 1k2n s SER 639 Cb -0.24 -2.04 0.00 0.00 0.21 0.00 0.00 66.02 63.95 1k2n s SER 639 CO 0.30 -0.67 0.00 -0.81 0.41 0.00 0.00 173.24 172.47 1k2n n PRO 640 N 4.97 1.31 -0.94 12.44 -0.04 -1.26 -4.97 135.00 146.51 1k2n n PRO 640 Ca -0.09 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.21 1k2n n PRO 640 Cb 0.41 0.00 0.17 0.00 -0.04 0.00 0.00 33.50 34.04 1k2n n PRO 640 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1k2n n ALA 641 N -3.00 4.77 -0.94 0.55 0.00 -1.26 -5.04 120.51 115.59 1k2n n ALA 641 Ca 0.00 -2.18 0.00 0.00 0.00 0.00 0.00 53.44 51.26 1k2n n ALA 641 Cb 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.13 1k2n n ALA 641 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1k2n n GLN 642 N -0.62 0.00 -2.94 0.00 6.02 -1.26 -4.26 117.38 114.32 1k2n n GLN 642 Ca 0.44 0.00 -0.44 0.00 -0.01 0.00 0.00 57.00 56.99 1k2n n GLN 642 Cb 1.37 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 32.61 1k2n n GLN 642 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1k2n s GLY 643 N -5.28 1.91 0.00 1.08 0.00 -1.26 -4.67 107.32 99.10 1k2n s GLY 643 Ca 0.00 -2.70 0.00 0.00 0.00 0.00 0.00 44.72 42.02 1k2n s GLY 643 CO 0.00 1.98 0.00 1.04 0.00 0.00 0.00 173.10 176.12 1k2n n LEU 644 N 6.55 0.00 -4.33 0.66 4.77 -0.40 -4.83 117.00 119.41 1k2n n LEU 644 Ca 0.21 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.91 1k2n n LEU 644 Cb 0.49 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.44 1k2n n LEU 644 CO 0.51 0.00 -0.55 1.51 -1.33 0.00 0.00 177.39 177.53 1k2n s ASP 645 N -0.48 2.93 0.11 -1.43 -4.77 -1.23 0.17 116.67 111.96 1k2n s ASP 645 Ca 0.00 -0.65 0.05 0.00 -3.30 0.00 0.00 52.55 48.64 1k2n s ASP 645 Cb 0.00 -0.21 -0.04 0.00 -1.09 0.00 0.00 42.92 41.58 1k2n s ASP 645 CO 0.00 0.17 -0.11 -1.81 0.70 0.00 0.00 175.17 174.11 1k2n s ASP 646 N -1.65 1.67 -0.19 2.11 1.01 0.50 -3.77 116.67 116.36 1k2n s ASP 646 Ca 0.10 -0.82 -0.07 0.00 0.71 0.00 0.00 52.55 52.47 1k2n s ASP 646 Cb -0.10 -0.02 -0.04 0.00 1.01 0.00 0.00 42.92 43.77 1k2n s ASP 646 CO 0.04 -0.22 0.06 0.27 0.21 0.00 0.00 175.17 175.52 1k2n s ILE 647 N -2.39 4.69 -0.14 0.77 -4.36 -1.26 0.83 121.20 119.34 1k2n s ILE 647 Ca 0.07 -0.07 -0.01 0.00 -0.26 0.00 0.00 60.65 60.39 1k2n s ILE 647 Cb -0.03 -3.12 -0.01 0.00 1.25 0.00 0.00 42.46 40.55 1k2n s ILE 647 CO 0.01 0.45 -0.11 0.26 0.24 0.00 0.00 174.94 175.79 1k2n s TRP 648 N 0.47 2.85 -0.31 1.37 0.52 0.40 -0.76 118.94 123.48 1k2n s TRP 648 Ca 0.03 -0.67 -0.20 0.00 0.02 0.00 0.00 56.10 55.28 1k2n s TRP 648 Cb -0.13 -1.89 -0.01 0.00 -1.15 0.00 0.00 33.47 30.30 1k2n s TRP 648 CO 0.01 -0.25 0.63 -0.47 0.02 0.00 0.00 176.95 176.89 1k2n s TYR 649 N 0.50 3.21 -0.18 -1.98 5.04 0.18 0.17 117.35 124.29 1k2n s TYR 649 Ca -0.08 0.57 -0.08 0.00 -2.44 0.00 0.00 57.07 55.05 1k2n s TYR 649 Cb -0.15 -2.99 -0.04 0.00 0.35 0.00 0.00 41.96 39.12 1k2n s TYR 649 CO 0.04 -0.48 0.08 0.00 -1.34 0.00 0.00 175.55 173.85 1k2n s HIS 651 N 0.33 3.01 0.00 0.00 2.46 -0.44 0.64 115.29 121.28 1k2n s HIS 651 Ca 0.04 -0.39 0.00 0.00 0.47 0.00 0.00 55.06 55.18 1k2n s HIS 651 Cb -0.12 -1.98 0.00 0.00 -0.13 0.00 0.00 32.58 30.35 1k2n s HIS 651 CO -0.00 -0.12 0.78 0.25 -2.47 0.00 0.00 174.74 173.17 1k2n n THR 652 N 3.76 0.59 -2.75 0.89 -2.24 0.37 0.16 114.28 115.06 1k2n n THR 652 Ca -0.17 -0.62 -0.32 0.00 -2.27 0.00 0.00 64.05 60.66 1k2n n THR 652 Cb 0.52 0.74 -0.05 0.00 -2.10 0.00 0.00 70.33 69.44 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 -0.59 2.24 0.25 3.38 0.00 1.23 -4.80 107.32 109.03 1k2n s GLY 653 Ca 0.00 0.22 0.24 0.00 0.00 0.00 0.00 44.72 45.18 1k2n s GLY 653 CO 0.00 0.47 1.48 -0.84 0.00 0.00 0.00 173.10 174.22 1k2n h THR 654 N 1.54 0.00 -0.00 0.90 2.02 -1.90 -3.26 112.91 112.19 1k2n h THR 654 Ca -0.48 -0.72 0.00 0.00 0.77 0.00 0.00 66.41 65.98 1k2n h THR 654 Cb 1.18 1.52 0.00 0.00 -1.74 0.00 0.00 68.15 69.11 1k2n h THR 654 CO 0.62 0.00 -0.20 0.59 0.37 0.00 0.00 175.52 176.90 1k2n n ASN 655 N -2.53 0.69 -0.44 4.18 4.13 -1.26 -4.90 115.26 115.13 1k2n n ASN 655 Ca 0.04 -0.63 0.00 0.00 1.68 0.00 0.00 54.58 55.66 1k2n n ASN 655 Cb 0.48 0.02 0.00 0.00 -1.54 0.00 0.00 39.78 38.74 1k2n n ASN 655 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 1k2n n VAL 656 N -0.89 -1.46 -4.45 2.41 0.31 -1.23 -4.73 118.33 108.28 1k2n n VAL 656 Ca 0.12 0.53 -0.24 0.00 -0.01 0.00 0.00 64.34 64.74 1k2n n VAL 656 Cb 0.31 -0.79 -0.10 0.00 -0.91 0.00 0.00 33.84 32.36 1k2n n VAL 656 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1k2n s SER 657 N -3.07 3.71 -0.05 4.52 1.04 0.44 -4.33 113.70 115.95 1k2n s SER 657 Ca 0.00 -1.00 -0.02 0.00 0.48 0.00 0.00 55.95 55.42 1k2n s SER 657 Cb 0.00 -0.36 0.03 0.00 0.10 0.00 0.00 66.02 65.79 1k2n s SER 657 CO 0.00 0.02 0.04 -0.31 0.98 0.00 0.00 173.24 173.97 1k2n s TYR 658 N -2.50 0.29 -0.53 5.02 1.51 0.24 0.02 117.35 121.40 1k2n s TYR 658 Ca 0.30 0.09 -0.19 0.00 -1.01 0.00 0.00 57.07 56.27 1k2n s TYR 658 Cb -0.05 -0.59 0.07 0.00 -0.11 0.00 0.00 41.96 41.28 1k2n s TYR 658 CO 0.16 -0.24 0.64 -1.17 -1.11 0.00 0.00 175.55 173.83 1k2n s LEU 659 N 2.05 5.12 0.00 -1.29 0.20 -0.75 0.22 118.68 124.23 1k2n s LEU 659 Ca 0.04 -1.09 0.00 0.00 0.69 0.00 0.00 54.13 53.77 1k2n s LEU 659 Cb -0.12 -2.39 0.00 0.00 -0.43 0.00 0.00 46.19 43.25 1k2n s LEU 659 CO -0.04 -0.96 0.00 0.59 -0.29 0.00 0.00 176.35 175.66 1k2n n ASN 660 N 6.19 0.00 0.00 3.68 4.13 -0.66 -1.77 115.26 126.83 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 0.44 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.68 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 3.08 0.16 -4.85 6.41 0.23 -1.26 -5.03 115.26 114.01 1k2n n ASN 661 Ca 0.00 -0.68 -0.37 0.00 -0.53 0.00 0.00 54.58 53.00 1k2n n ASN 661 Cb 0.00 0.09 -0.06 0.00 -2.08 0.00 0.00 39.78 37.74 1k2n n ASN 661 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 1k2n s ASN 662 N -0.09 6.72 0.20 0.53 3.84 -0.73 -5.07 114.94 120.33 1k2n s ASN 662 Ca 0.00 0.86 -0.24 0.00 0.21 0.00 0.00 52.86 53.69 1k2n s ASN 662 Cb 0.00 -2.21 -0.08 0.00 -0.55 0.00 0.00 41.25 38.41 1k2n s ASN 662 CO 0.00 0.32 0.79 -0.60 -2.79 0.00 0.00 177.10 174.81 1k2n s ARG 663 N -1.20 4.51 -0.24 0.43 3.52 -1.26 -1.82 118.95 122.89 1k2n s ARG 663 Ca 0.24 1.12 -0.01 0.00 -0.13 0.00 0.00 55.73 56.94 1k2n s ARG 663 Cb -0.16 -3.12 0.07 0.00 -1.56 0.00 0.00 34.95 30.18 1k2n s ARG 663 CO 0.13 0.50 0.03 -1.64 -0.81 0.00 0.00 175.30 173.51 1k2n s MET 664 N -1.44 0.88 0.58 5.12 -1.94 0.10 -4.79 119.30 117.81 1k2n s MET 664 Ca 0.39 -0.73 -0.05 0.00 -1.71 0.00 0.00 55.69 53.59 1k2n s MET 664 Cb -0.21 -2.18 0.01 0.00 2.01 0.00 0.00 34.83 34.45 1k2n s MET 664 CO 0.25 -0.73 0.89 0.96 -0.01 0.00 0.00 175.02 176.37 1k2n s ILE 665 N 1.69 3.68 -0.35 2.53 -4.36 -1.26 -0.42 121.20 122.71 1k2n s ILE 665 Ca 0.01 -0.03 -0.36 0.00 -0.26 0.00 0.00 60.65 60.02 1k2n s ILE 665 Cb -0.18 -3.46 -0.12 0.00 1.25 0.00 0.00 42.46 39.96 1k2n s ILE 665 CO -0.12 -0.46 2.18 1.67 0.24 0.00 0.00 174.94 178.44 1k2n n GLN 666 N -2.55 1.05 0.00 0.37 7.27 -1.23 -1.33 117.38 120.96 1k2n n GLN 666 Ca 0.04 0.29 0.00 0.00 0.07 0.00 0.00 57.00 57.40 1k2n n GLN 666 Cb 0.58 -2.42 0.00 0.00 2.41 0.00 0.00 30.24 30.80 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 6.54 1.83 3.68 1.69 0.00 0.43 -4.94 105.19 114.41 1k2n n GLY 667 Ca 0.41 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.20 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 3.20 0.01 2.61 -4.23 -0.44 0.93 115.64 115.73 1k2n s THR 668 Ca 0.00 -1.83 0.01 0.00 -1.18 0.00 0.00 61.69 58.70 1k2n s THR 668 Cb 0.00 -2.90 -0.01 0.00 1.34 0.00 0.00 72.50 70.93 1k2n s THR 668 CO 0.00 -0.28 -0.05 -0.75 -0.54 0.00 0.00 174.62 173.01 1k2n s LYS 669 N -3.75 0.35 -0.06 3.99 2.20 0.36 -1.32 119.74 121.52 1k2n s LYS 669 Ca 0.34 -0.38 -0.10 0.00 -0.36 0.00 0.00 55.97 55.48 1k2n s LYS 669 Cb -0.04 -0.22 0.02 0.00 -1.51 0.00 0.00 37.83 36.08 1k2n s LYS 669 CO 0.21 0.05 0.25 0.12 -0.36 0.00 0.00 175.35 175.62 1k2n s PHE 670 N -0.66 -0.20 0.23 4.03 2.19 -0.60 0.11 117.98 123.09 1k2n s PHE 670 Ca -0.04 0.44 -0.30 0.00 0.33 0.00 0.00 56.93 57.36 1k2n s PHE 670 Cb -0.05 0.07 -0.09 0.00 -1.31 0.00 0.00 43.02 41.64 1k2n s PHE 670 CO -0.00 -0.22 1.30 -1.17 1.83 0.00 0.00 175.22 176.95 1k2n s LEU 671 N -0.48 4.43 -0.39 6.12 1.98 -1.26 0.52 118.68 129.59 1k2n s LEU 671 Ca -0.06 2.46 -0.08 0.00 -2.89 0.00 0.00 54.13 53.56 1k2n s LEU 671 Cb -0.04 -3.62 0.06 0.00 0.66 0.00 0.00 46.19 43.26 1k2n s LEU 671 CO 0.01 -0.51 0.21 -0.76 -1.89 0.00 0.00 176.35 173.42 1k2n s LEU 672 N -0.58 4.87 0.02 -0.68 1.43 0.06 -4.86 118.68 118.94 1k2n s LEU 672 Ca 0.54 -1.36 -0.14 0.00 -1.03 0.00 0.00 54.13 52.14 1k2n s LEU 672 Cb -0.37 -1.95 -0.06 0.00 0.03 0.00 0.00 46.19 43.84 1k2n s LEU 672 CO 0.42 -0.46 0.41 -1.10 0.23 0.00 0.00 176.35 175.84 1k2n s GLN 673 N 1.42 3.88 -0.47 1.70 -0.21 -1.26 -4.49 119.66 120.23 1k2n s GLN 673 Ca 0.02 0.36 -0.44 0.00 0.02 0.00 0.00 55.36 55.32 1k2n s GLN 673 Cb -0.22 -3.17 -0.18 0.00 1.00 0.00 0.00 33.01 30.44 1k2n s GLN 673 CO 0.03 0.66 2.00 -0.40 -2.12 0.00 0.00 175.29 175.46 1k2n n ASP 674 N 1.62 1.08 -0.17 5.90 5.68 1.00 -0.37 116.55 131.30 1k2n n ASP 674 Ca -0.13 0.79 0.00 0.00 -0.50 0.00 0.00 54.79 54.96 1k2n n ASP 674 Cb 0.52 -0.94 0.00 0.00 -1.14 0.00 0.00 41.12 39.56 1k2n n ASP 674 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1k2n n GLY 675 N 6.42 1.06 3.66 6.12 0.00 0.42 -4.94 105.19 117.93 1k2n n GLY 675 Ca 0.47 -0.32 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.44 6.50 -0.44 1.61 2.15 0.50 -4.76 116.67 119.81 1k2n s ASP 676 Ca 0.00 0.60 -0.18 0.00 0.43 0.00 0.00 52.55 53.40 1k2n s ASP 676 Cb 0.00 -2.27 0.03 0.00 -0.30 0.00 0.00 42.92 40.38 1k2n s ASP 676 CO 0.00 -0.14 0.47 -0.70 -0.17 0.00 0.00 175.17 174.63 1k2n s GLU 677 N 1.54 3.10 -0.15 4.34 2.12 -1.26 0.18 118.70 128.57 1k2n s GLU 677 Ca 0.22 -0.79 -0.05 0.00 0.36 0.00 0.00 54.97 54.70 1k2n s GLU 677 Cb -0.15 -4.00 -0.04 0.00 0.26 0.00 0.00 34.13 30.21 1k2n s GLU 677 CO 0.09 -0.92 0.03 0.96 -0.54 0.00 0.00 175.26 174.88 1k2n s ILE 678 N 2.21 4.52 -0.33 -3.70 -4.36 0.17 -1.65 121.20 118.07 1k2n s ILE 678 Ca 0.13 -0.14 -0.18 0.00 -0.26 0.00 0.00 60.65 60.20 1k2n s ILE 678 Cb -0.18 -2.99 -0.01 0.00 1.25 0.00 0.00 42.46 40.53 1k2n s ILE 678 CO 0.13 0.51 0.50 -0.54 0.24 0.00 0.00 174.94 175.78 1k2n s LYS 679 N -0.00 3.70 0.11 0.37 1.02 0.60 0.11 119.74 125.64 1k2n s LYS 679 Ca 0.04 -0.09 -0.03 0.00 0.02 0.00 0.00 55.97 55.91 1k2n s LYS 679 Cb -0.12 -3.78 -0.18 0.00 -0.52 0.00 0.00 37.83 33.23 1k2n s LYS 679 CO 0.01 -0.58 1.24 0.97 -0.92 0.00 0.00 175.35 176.07 1k2n h ILE 680 N 5.57 1.47 -2.44 2.17 2.10 -1.45 0.70 117.51 125.63 1k2n h ILE 680 Ca -0.28 -2.80 -0.07 0.00 1.08 0.00 0.00 64.86 62.79 1k2n h ILE 680 Cb 1.13 2.69 -0.25 0.00 -1.09 0.00 0.00 36.82 39.31 1k2n h ILE 680 CO 0.76 0.82 -0.18 -0.51 -1.08 0.00 0.00 178.15 177.95 1k2n s ILE 681 N -2.95 -0.02 -0.15 2.19 1.10 -1.13 -4.26 121.20 115.99 1k2n s ILE 681 Ca -0.04 0.06 -0.03 0.00 -0.51 0.00 0.00 60.65 60.13 1k2n s ILE 681 Cb 0.08 -0.74 0.05 0.00 0.15 0.00 0.00 42.46 42.00 1k2n s ILE 681 CO 0.87 0.02 0.04 0.86 -2.11 0.00 0.00 174.94 174.62 1k2n s TRP 682 N 1.36 0.74 -0.18 3.50 -0.00 -1.26 -1.96 118.94 121.13 1k2n s TRP 682 Ca -0.09 -0.52 -0.00 0.00 -0.00 0.00 0.00 56.10 55.49 1k2n s TRP 682 Cb -0.07 -0.88 0.05 0.00 -0.00 0.00 0.00 33.47 32.56 1k2n s TRP 682 CO -0.14 -0.50 -0.05 0.34 -0.00 0.00 0.00 176.95 176.61 1k2n s ASP 683 N 1.95 3.03 0.12 5.86 2.15 -1.22 -5.01 116.67 123.55 1k2n s ASP 683 Ca 0.01 -0.77 -0.14 0.00 0.43 0.00 0.00 52.55 52.09 1k2n s ASP 683 Cb -0.15 -0.96 -0.05 0.00 -0.30 0.00 0.00 42.92 41.46 1k2n s ASP 683 CO -0.07 -0.20 1.48 0.50 -0.17 0.00 0.00 175.17 176.72 1k2n h LYS 684 N 8.09 0.77 -0.99 4.34 3.64 -1.97 -2.47 116.57 127.98 1k2n h LYS 684 Ca -0.23 -0.35 0.04 0.00 -1.27 0.00 0.00 60.65 58.84 1k2n h LYS 684 Cb 1.11 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.85 1k2n h LYS 684 CO 0.40 0.97 0.65 -0.91 -2.27 0.00 0.00 179.45 178.29 1k2n h ASN 685 N 0.56 1.08 1.55 4.20 2.35 -1.96 -0.92 115.58 122.44 1k2n h ASN 685 Ca 0.08 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1k2n h ASN 685 Cb 0.75 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.88 1k2n h ASN 685 CO 0.06 0.74 0.00 0.78 -1.65 0.00 0.00 177.43 177.35 1k2n h ASN 686 N 1.25 0.00 -0.36 5.81 4.21 -1.97 -3.46 115.58 121.06 1k2n h ASN 686 Ca 0.40 0.00 -0.15 0.00 1.21 0.00 0.00 56.30 57.75 1k2n h ASN 686 Cb 0.01 0.00 -0.06 0.00 -1.12 0.00 0.00 38.32 37.15 1k2n h ASN 686 CO -0.13 0.00 -0.14 1.17 -1.29 0.00 0.00 177.43 177.04 1k2n n LYS 687 N -2.99 -1.03 -4.58 0.81 3.00 -0.35 -4.98 118.16 108.03 1k2n n LYS 687 Ca 0.03 0.69 -0.33 0.00 -0.00 0.00 0.00 58.31 58.69 1k2n n LYS 687 Cb 0.43 -4.68 -0.16 0.00 0.00 0.00 0.00 35.03 30.62 1k2n n LYS 687 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.40 176.81 1k2n s PHE 688 N -2.02 2.74 -0.05 5.64 -0.71 -1.20 -5.05 117.98 117.32 1k2n s PHE 688 Ca 0.00 -1.16 0.06 0.00 -1.04 0.00 0.00 56.93 54.79 1k2n s PHE 688 Cb 0.00 -1.86 -0.01 0.00 -1.21 0.00 0.00 43.02 39.93 1k2n s PHE 688 CO 0.00 -0.53 -0.24 0.14 -1.34 0.00 0.00 175.22 173.26 1k2n s VAL 689 N 0.82 2.19 -0.16 -2.49 -7.23 -1.26 -3.44 120.40 108.82 1k2n s VAL 689 Ca -0.06 -1.03 -0.00 0.00 -1.81 0.00 0.00 61.98 59.08 1k2n s VAL 689 Cb -0.15 -1.80 0.04 0.00 0.56 0.00 0.00 36.38 35.03 1k2n s VAL 689 CO -0.01 0.57 -0.06 -0.63 -0.31 0.00 0.00 175.10 174.66 1k2n s ILE 690 N -0.29 1.14 0.01 -0.62 1.01 -0.83 -2.79 121.20 118.83 1k2n s ILE 690 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 60.65 60.04 1k2n s ILE 690 Cb -0.13 -1.29 -0.01 0.00 0.01 0.00 0.00 42.46 41.04 1k2n s ILE 690 CO 0.02 0.16 -0.02 -0.83 0.00 0.00 0.00 174.94 174.28 1k2n s GLY 691 N 1.62 0.18 0.03 6.18 0.00 -1.26 -1.27 107.32 112.80 1k2n s GLY 691 Ca 0.01 -0.43 0.05 0.00 0.00 0.00 0.00 44.72 44.36 1k2n s GLY 691 CO -0.08 -0.47 -0.11 -1.36 0.00 0.00 0.00 173.10 171.08 1k2n s PHE 692 N -1.02 2.75 -0.31 1.90 0.08 0.29 -2.89 117.98 118.78 1k2n s PHE 692 Ca -0.11 -0.13 -0.11 0.00 0.12 0.00 0.00 56.93 56.70 1k2n s PHE 692 Cb -0.07 -1.54 -0.02 0.00 -0.57 0.00 0.00 43.02 40.82 1k2n s PHE 692 CO -0.01 0.33 0.19 0.21 -0.10 0.00 0.00 175.22 175.84 1k2n s LYS 693 N -1.49 3.58 -0.35 0.44 2.47 -1.14 0.46 119.74 123.71 1k2n s LYS 693 Ca 0.17 -0.57 -0.27 0.00 -1.56 0.00 0.00 55.97 53.73 1k2n s LYS 693 Cb -0.11 -3.67 0.02 0.00 -1.46 0.00 0.00 37.83 32.60 1k2n s LYS 693 CO 0.07 -0.35 0.99 0.08 0.16 0.00 0.00 175.35 176.30 1k2n s VAL 694 N 1.70 4.54 -0.25 4.02 1.01 0.49 -1.31 120.40 130.60 1k2n s VAL 694 Ca 0.06 1.40 0.01 0.00 0.00 0.00 0.00 61.98 63.46 1k2n s VAL 694 Cb -0.17 -4.37 0.06 0.00 0.00 0.00 0.00 36.38 31.90 1k2n s VAL 694 CO 0.09 -0.53 -0.05 -0.70 0.00 0.00 0.00 175.10 173.90 1k2n s GLU 695 N 3.59 1.72 -0.18 2.72 -6.30 0.64 0.16 118.70 121.05 1k2n s GLU 695 Ca 0.41 -1.13 -0.29 0.00 -2.50 0.00 0.00 54.97 51.46 1k2n s GLU 695 Cb -0.12 -2.68 -0.00 0.00 0.00 0.00 0.00 34.13 31.33 1k2n s GLU 695 CO 0.18 -0.63 1.05 0.42 0.02 0.00 0.00 175.26 176.31 1k2n s ILE 696 N 1.30 4.66 -0.20 -3.70 1.01 -1.26 0.47 121.20 123.48 1k2n s ILE 696 Ca -0.05 1.98 -0.02 0.00 0.00 0.00 0.00 60.65 62.56 1k2n s ILE 696 Cb -0.19 -4.27 -0.12 0.00 0.01 0.00 0.00 42.46 37.89 1k2n s ILE 696 CO -0.07 -0.11 -0.20 0.59 0.00 0.00 0.00 174.94 175.16 1k2n n ASN 697 N 5.86 2.22 -4.59 3.58 5.03 -0.57 -4.96 115.26 121.85 1k2n n ASN 697 Ca 0.11 -0.01 -0.33 0.00 0.87 0.00 0.00 54.58 55.21 1k2n n ASN 697 Cb 0.47 -0.39 -0.11 0.00 -1.02 0.00 0.00 39.78 38.73 1k2n n ASN 697 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1k2n s ASP 698 N -6.14 4.65 -0.39 6.41 2.15 -1.03 -5.06 116.67 117.25 1k2n s ASP 698 Ca -0.27 -0.05 -0.02 0.00 0.43 0.00 0.00 52.55 52.65 1k2n s ASP 698 Cb 0.08 -1.15 0.11 0.00 -0.30 0.00 0.00 42.92 41.66 1k2n s ASP 698 CO 0.43 0.34 0.17 0.42 -0.17 0.00 0.00 175.17 176.36 1k2n s THR 699 N -0.85 3.12 -0.95 1.71 -4.23 -1.26 -4.57 115.64 108.60 1k2n s THR 699 Ca 0.13 -2.09 -0.14 0.00 -1.18 0.00 0.00 61.69 58.42 1k2n s THR 699 Cb -0.11 -3.15 -0.09 0.00 1.34 0.00 0.00 72.50 70.49 1k2n s THR 699 CO 0.03 -0.66 2.09 0.41 -0.54 0.00 0.00 174.62 175.94 1k2n n THR 700 N 4.54 2.37 -2.56 3.99 -1.04 -1.26 -4.09 114.28 116.23 1k2n n THR 700 Ca -0.01 -1.73 -0.15 0.00 -2.04 0.00 0.00 64.05 60.12 1k2n n THR 700 Cb 0.41 -2.29 0.01 0.00 -1.82 0.00 0.00 70.33 66.65 1k2n n THR 700 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1k2n n GLY 701 N 4.12 -0.19 3.73 3.41 0.00 -1.26 -4.78 105.19 110.22 1k2n n GLY 701 Ca 0.49 -0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.90 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 -4.53 4.48 0.49 0.99 1.43 -1.26 -3.54 118.68 116.75 1k2n s LEU 702 Ca 0.12 1.84 0.36 0.00 -1.03 0.00 0.00 54.13 55.42 1k2n s LEU 702 Cb -0.05 -3.59 1.52 0.00 0.03 0.00 0.00 46.19 44.10 1k2n s LEU 702 CO 0.14 -0.12 1.64 2.19 0.23 0.00 0.00 176.35 180.44 1k2n h PHE 703 N 5.64 0.30 0.00 0.29 -0.00 -1.86 -3.37 116.94 117.94 1k2n h PHE 703 Ca -0.43 0.01 0.00 0.00 -0.00 0.00 0.00 57.97 57.55 1k2n h PHE 703 Cb 1.21 -0.08 0.00 0.00 -0.00 0.00 0.00 35.95 37.09 1k2n h PHE 703 CO 0.65 -0.10 0.00 -1.71 -0.00 0.00 0.00 178.31 177.14 1k2n n ASN 704 N -4.39 0.00 0.00 -0.68 5.15 -1.26 -4.94 115.26 109.13 1k2n n ASN 704 Ca 0.37 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.35 1k2n n ASN 704 Cb 1.55 0.32 0.00 0.00 -0.53 0.00 0.00 39.78 41.12 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 -2.44 0.00 0.00 1.20 0.28 -1.26 -4.96 120.64 113.46 1k2n n GLU 705 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1k2n n GLU 705 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1k2n n GLU 705 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1k2n n GLY 706 N 0.00 0.65 0.02 -1.84 0.00 -1.26 -4.34 105.19 98.42 1k2n n GLY 706 Ca 0.00 0.05 0.08 0.00 0.00 0.00 0.00 46.02 46.14 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 0.80 -0.81 0.99 -0.00 -1.26 0.33 117.00 117.05 1k2n n LEU 707 Ca 0.00 -0.51 0.00 0.00 -0.00 0.00 0.00 56.01 55.50 1k2n n LEU 707 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1k2n n LEU 707 CO 0.00 0.20 0.00 0.61 -0.00 0.00 0.00 177.39 178.20 1k2n n GLY 708 N 1.37 0.57 3.32 -3.96 0.00 -1.26 -4.97 105.19 100.26 1k2n n GLY 708 Ca 0.03 -0.49 -0.37 0.00 0.00 0.00 0.00 46.02 45.19 1k2n n GLY 708 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1k2n s MET 709 N -3.87 3.01 0.01 1.61 0.23 -1.26 -4.95 119.30 114.08 1k2n s MET 709 Ca 0.00 -0.90 -0.29 0.00 -1.03 0.00 0.00 55.69 53.47 1k2n s MET 709 Cb 0.00 -3.33 0.11 0.00 -1.53 0.00 0.00 34.83 30.07 1k2n s MET 709 CO 0.00 -0.46 1.25 -0.48 -2.03 0.00 0.00 175.02 173.30 1k2n s LEU 710 N 1.47 -0.05 0.03 0.18 2.34 -1.26 -5.07 118.68 116.32 1k2n s LEU 710 Ca 0.02 -0.21 -0.19 0.00 0.06 0.00 0.00 54.13 53.81 1k2n s LEU 710 Cb -0.17 1.47 -0.10 0.00 -0.56 0.00 0.00 46.19 46.82 1k2n s LEU 710 CO 0.02 -0.38 1.28 1.56 -1.06 0.00 0.00 176.35 177.76 1k2n h GLN 711 N 2.00 -0.64 -6.88 1.48 4.20 -2.08 -3.43 115.11 109.77 1k2n h GLN 711 Ca -0.28 0.04 -0.52 0.00 0.06 0.00 0.00 58.65 57.95 1k2n h GLN 711 Cb 1.20 0.15 0.07 0.00 0.30 0.00 0.00 27.48 29.19 1k2n h GLN 711 CO 0.29 -0.43 0.64 -1.21 -0.67 0.00 0.00 178.83 177.46 1k2n s GLU 712 N -4.48 4.35 -0.63 1.46 2.02 -1.26 -4.96 118.70 115.20 1k2n s GLU 712 Ca -0.10 2.22 -0.21 0.00 0.02 0.00 0.00 54.97 56.90 1k2n s GLU 712 Cb 0.01 -3.07 0.08 0.00 0.10 0.00 0.00 34.13 31.26 1k2n s GLU 712 CO 0.30 -0.19 0.86 -0.65 0.02 0.00 0.00 175.26 175.60 1k2n s GLN 713 N -1.80 3.09 -0.14 1.61 -0.21 -1.26 -4.69 119.66 116.26 1k2n s GLN 713 Ca 0.49 -1.01 -0.13 0.00 0.02 0.00 0.00 55.36 54.73 1k2n s GLN 713 Cb -0.40 -4.24 0.02 0.00 1.00 0.00 0.00 33.01 29.39 1k2n s GLN 713 CO 0.53 -1.70 0.21 0.54 -2.12 0.00 0.00 175.29 172.75 1k2n n ARG 714 N 7.15 -0.77 -4.77 2.91 5.12 -1.26 -4.99 116.66 120.05 1k2n n ARG 714 Ca -0.06 0.95 -0.26 0.00 -1.93 0.00 0.00 57.85 56.55 1k2n n ARG 714 Cb 0.44 -1.27 -0.15 0.00 -1.16 0.00 0.00 32.46 30.33 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 -1.12 1.61 -0.28 1.55 -7.23 -1.26 -4.96 120.40 108.71 1k2n s VAL 715 Ca 0.12 -1.05 -0.24 0.00 -1.81 0.00 0.00 61.98 59.00 1k2n s VAL 715 Cb -0.01 -1.38 -0.00 0.00 0.56 0.00 0.00 36.38 35.55 1k2n s VAL 715 CO 0.28 0.30 0.82 -0.69 -0.31 0.00 0.00 175.10 175.49 1k2n s VAL 716 N -0.67 4.79 0.62 1.32 1.01 -1.26 -4.68 120.40 121.54 1k2n s VAL 716 Ca 0.07 1.35 -0.00 0.00 0.00 0.00 0.00 61.98 63.40 1k2n s VAL 716 Cb -0.08 -4.15 0.06 0.00 0.00 0.00 0.00 36.38 32.21 1k2n s VAL 716 CO 0.01 -0.20 0.87 -0.76 0.00 0.00 0.00 175.10 175.02 1k2n s LEU 717 N 2.95 3.12 0.04 3.92 1.02 0.31 -4.84 118.68 125.20 1k2n s LEU 717 Ca 0.34 -0.06 0.01 0.00 0.02 0.00 0.00 54.13 54.44 1k2n s LEU 717 Cb -0.14 -2.64 -0.04 0.00 0.02 0.00 0.00 46.19 43.39 1k2n s LEU 717 CO 0.11 -1.42 0.12 -0.75 0.02 0.00 0.00 176.35 174.43 1k2n s LYS 718 N -4.94 3.13 0.52 1.70 2.20 -1.26 0.14 119.74 121.22 1k2n s LYS 718 Ca 0.60 -0.53 -0.11 0.00 -0.36 0.00 0.00 55.97 55.57 1k2n s LYS 718 Cb -0.09 -2.88 -0.05 0.00 -1.51 0.00 0.00 37.83 33.30 1k2n s LYS 718 CO 0.41 0.61 0.91 -0.65 -0.36 0.00 0.00 175.35 176.27 1k2n s GLN 719 N -2.19 3.70 0.40 4.03 -0.21 0.27 -4.65 119.66 121.01 1k2n s GLN 719 Ca 0.29 0.60 0.02 0.00 0.02 0.00 0.00 55.36 56.29 1k2n s GLN 719 Cb -0.12 -2.23 -0.01 0.00 1.00 0.00 0.00 33.01 31.65 1k2n s GLN 719 CO 0.21 -0.31 0.07 0.25 -2.12 0.00 0.00 175.29 173.39 1k2n n THR 720 N -2.08 0.00 -0.01 -0.19 -2.24 -1.26 -4.95 114.28 103.55 1k2n n THR 720 Ca 0.04 -2.12 0.21 0.00 -2.27 0.00 0.00 64.05 59.92 1k2n n THR 720 Cb 0.54 0.61 0.70 0.00 -2.10 0.00 0.00 70.33 70.08 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 1.43 2.50 0.21 6.98 0.00 -1.98 -1.31 119.26 127.09 1k2n h ALA 721 Ca -0.32 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1k2n h ALA 721 Cb 1.10 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1k2n h ALA 721 CO 0.52 -0.70 -0.10 1.49 0.00 0.00 0.00 179.25 180.46 1k2n h GLU 722 N 0.00 -0.28 -0.22 0.00 4.81 -1.99 -0.27 114.58 116.63 1k2n h GLU 722 Ca 0.27 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.48 1k2n h GLU 722 Cb 1.10 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.53 1k2n h GLU 722 CO -0.00 -0.11 0.02 0.93 -0.73 0.00 0.00 179.01 179.12 1k2n h GLU 723 N -0.38 0.37 -0.46 1.92 3.07 -1.69 -2.81 114.58 114.59 1k2n h GLU 723 Ca -0.03 -0.11 0.07 0.00 -0.50 0.00 0.00 59.36 58.79 1k2n h GLU 723 Cb 0.29 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.14 1k2n h GLU 723 CO 0.05 0.54 0.31 -0.22 -1.40 0.00 0.00 179.01 178.29 1k2n h LYS 724 N 0.15 0.32 -0.34 2.33 3.64 -1.24 -1.27 116.57 120.16 1k2n h LYS 724 Ca 0.06 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.31 1k2n h LYS 724 Cb 0.36 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 1k2n h LYS 724 CO 0.01 0.21 -0.27 0.22 -2.27 0.00 0.00 179.45 177.35 1k2n h ASP 725 N 0.33 0.72 -0.56 4.20 1.82 -0.79 0.44 116.42 122.57 1k2n h ASP 725 Ca 0.21 -0.27 0.01 0.00 -0.39 0.00 0.00 57.03 56.59 1k2n h ASP 725 Cb 0.40 -0.20 -0.03 0.00 0.68 0.00 0.00 39.33 40.18 1k2n h ASP 725 CO -0.05 0.95 0.36 -0.07 -1.61 0.00 0.00 179.24 178.83 1k2n h LEU 726 N 0.60 0.61 0.00 2.28 3.38 -1.04 -2.43 115.31 118.72 1k2n h LEU 726 Ca 0.08 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 1k2n h LEU 726 Cb 0.77 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1k2n h LEU 726 CO 0.06 0.44 -0.54 1.62 0.09 0.00 0.00 178.44 180.11 1k2n h VAL 727 N 0.73 0.62 -0.78 1.22 3.04 -1.45 -3.29 116.25 116.34 1k2n h VAL 727 Ca 0.21 -1.92 0.14 0.00 -1.01 0.00 0.00 66.70 64.13 1k2n h VAL 727 Cb -0.05 2.26 -0.05 0.00 -2.01 0.00 0.00 31.29 31.44 1k2n h VAL 727 CO -0.06 0.36 0.52 0.50 -1.01 0.00 0.00 177.57 177.87 1k2n h LYS 728 N 0.00 0.47 -0.99 4.17 3.64 -0.40 0.14 116.57 123.60 1k2n h LYS 728 Ca -0.02 -0.03 -0.53 0.00 -1.27 0.00 0.00 60.65 58.80 1k2n h LYS 728 Cb 1.32 -0.11 -0.31 0.00 -0.41 0.00 0.00 32.23 32.73 1k2n h LYS 728 CO 0.05 0.31 0.67 1.63 -2.27 0.00 0.00 179.45 179.85 1k2n n LYS 729 N -4.50 2.30 0.00 1.90 5.02 -1.18 -5.08 118.16 116.62 1k2n n LYS 729 Ca 0.15 -3.05 0.15 0.00 -2.02 0.00 0.00 58.31 53.54 1k2n n LYS 729 Cb 0.50 -2.19 0.72 0.00 -0.02 0.00 0.00 35.03 34.05 1k2n n LYS 729 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77