#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k2m n ASN 574 N 0.00 3.81 0.00 1.61 3.02 -1.26 -4.62 115.26 117.82 1k2m n ASN 574 Ca 0.00 -2.02 0.00 0.00 -0.03 0.00 0.00 54.58 52.53 1k2m n ASN 574 Cb 0.00 -0.45 0.00 0.00 -0.61 0.00 0.00 39.78 38.72 1k2m n ASN 574 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k2m n GLY 575 N 1.43 0.06 3.71 7.41 0.00 -1.26 -4.96 105.19 111.57 1k2m n GLY 575 Ca 0.22 -0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 1k2m n GLY 575 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1k2m s ARG 576 N -1.09 3.00 0.13 1.61 3.52 -1.26 -2.62 118.95 122.24 1k2m s ARG 576 Ca 0.00 -0.43 0.00 0.00 -0.13 0.00 0.00 55.73 55.17 1k2m s ARG 576 Cb 0.00 -2.82 0.00 0.00 -1.56 0.00 0.00 34.95 30.57 1k2m s ARG 576 CO 0.00 0.69 0.00 0.34 -0.81 0.00 0.00 175.30 175.52 1k2m n PHE 577 N 1.88 -0.62 -4.60 5.12 7.35 -0.96 -4.32 117.46 121.31 1k2m n PHE 577 Ca -0.17 0.11 -0.34 0.00 -0.76 0.00 0.00 57.45 56.29 1k2m n PHE 577 Cb 0.53 0.16 -0.12 0.00 0.35 0.00 0.00 39.48 40.41 1k2m n PHE 577 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 1k2m s LEU 578 N -6.78 3.08 -0.25 -2.13 2.96 -0.96 -1.24 118.68 113.35 1k2m s LEU 578 Ca 0.00 -0.12 -0.02 0.00 -0.22 0.00 0.00 54.13 53.77 1k2m s LEU 578 Cb 0.00 -1.70 0.03 0.00 0.50 0.00 0.00 46.19 45.02 1k2m s LEU 578 CO 0.00 0.26 -0.06 -0.89 -1.32 0.00 0.00 176.35 174.35 1k2m s THR 579 N -0.22 2.87 -0.39 3.68 2.01 0.17 0.93 115.64 124.70 1k2m s THR 579 Ca 0.03 -1.06 -0.10 0.00 0.31 0.00 0.00 61.69 60.86 1k2m s THR 579 Cb -0.13 -2.48 0.04 0.00 0.01 0.00 0.00 72.50 69.95 1k2m s THR 579 CO 0.03 0.17 0.22 -0.76 -0.69 0.00 0.00 174.62 173.58 1k2m s LEU 580 N 1.32 4.82 -0.40 4.42 1.43 0.43 0.17 118.68 130.86 1k2m s LEU 580 Ca -0.00 -1.14 -0.02 0.00 -1.03 0.00 0.00 54.13 51.93 1k2m s LEU 580 Cb -0.17 -2.01 0.11 0.00 0.03 0.00 0.00 46.19 44.15 1k2m s LEU 580 CO -0.04 -0.43 0.18 -1.59 0.23 0.00 0.00 176.35 174.70 1k2m s LYS 581 N 1.51 1.95 -0.85 1.70 -2.85 0.04 0.24 119.74 121.48 1k2m s LYS 581 Ca 0.02 -1.81 -0.31 0.00 -1.00 0.00 0.00 55.97 52.87 1k2m s LYS 581 Cb -0.20 -3.53 -0.18 0.00 -2.06 0.00 0.00 37.83 31.86 1k2m s LYS 581 CO 0.05 -1.04 2.60 -2.30 0.10 0.00 0.00 175.35 174.76 1k2m n PRO 582 N 4.56 0.26 -1.70 1.78 -0.02 0.78 -2.47 135.00 138.19 1k2m n PRO 582 Ca -0.02 0.01 -0.32 0.00 -2.02 0.00 0.00 63.50 61.15 1k2m n PRO 582 Cb 0.41 -1.96 0.04 0.00 -0.02 0.00 0.00 33.50 31.98 1k2m n PRO 582 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 1k2m s LEU 583 N 9.55 3.24 0.61 2.45 2.34 -0.86 -2.09 118.68 133.92 1k2m s LEU 583 Ca 1.26 1.70 0.27 0.00 0.06 0.00 0.00 54.13 57.42 1k2m s LEU 583 Cb -1.02 -4.51 1.33 0.00 -0.56 0.00 0.00 46.19 41.43 1k2m s LEU 583 CO 0.45 -1.40 1.74 1.55 -1.06 0.00 0.00 176.35 177.63 1k2m h PRO 584 N -0.38 0.00 0.00 1.48 0.13 -1.89 0.71 132.00 132.05 1k2m h PRO 584 Ca -0.45 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1k2m h PRO 584 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 1k2m h PRO 584 CO 0.57 0.00 -0.02 0.22 -0.23 0.00 0.00 178.00 178.53 1k2m h ASP 585 N 0.00 0.00 -3.01 1.44 3.58 -1.91 -3.41 116.42 113.11 1k2m h ASP 585 Ca 0.23 0.00 -0.54 0.00 0.42 0.00 0.00 57.03 57.14 1k2m h ASP 585 Cb 1.51 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.53 1k2m h ASP 585 CO -0.00 0.02 -0.29 -0.55 -2.88 0.00 0.00 179.24 175.54 1k2m s SER 586 N -5.79 6.43 0.54 2.28 0.15 0.25 -4.79 113.70 112.77 1k2m s SER 586 Ca -0.04 0.52 0.26 0.00 0.70 0.00 0.00 55.95 57.39 1k2m s SER 586 Cb 0.14 -2.06 1.43 0.00 -1.71 0.00 0.00 66.02 63.81 1k2m s SER 586 CO 0.51 -0.05 1.78 0.16 1.20 0.00 0.00 173.24 176.83 1k2m h ILE 587 N 1.64 0.00 -3.80 6.45 3.07 -1.25 -3.40 117.51 120.21 1k2m h ILE 587 Ca -0.47 0.00 -0.68 0.00 1.55 0.00 0.00 64.86 65.25 1k2m h ILE 587 Cb 1.18 0.58 -0.20 0.00 -0.27 0.00 0.00 36.82 38.12 1k2m h ILE 587 CO 0.69 0.00 -0.74 -0.51 -1.05 0.00 0.00 178.15 176.54 1k2m s ILE 588 N -3.84 3.32 -0.63 0.16 2.07 -1.26 -5.06 121.20 115.95 1k2m s ILE 588 Ca -0.03 -0.82 0.06 0.00 -1.41 0.00 0.00 60.65 58.45 1k2m s ILE 588 Cb 0.08 -2.39 0.26 0.00 0.13 0.00 0.00 42.46 40.54 1k2m s ILE 588 CO 0.24 0.45 0.77 0.00 -1.91 0.00 0.00 174.94 174.49 1k2m n GLN 589 N 1.81 2.62 -4.54 3.50 3.00 -1.26 -4.15 117.38 118.36 1k2m n GLN 589 Ca -0.16 -4.70 -0.25 0.00 -0.01 0.00 0.00 57.00 51.88 1k2m n GLN 589 Cb 0.52 -2.26 -0.10 0.00 0.00 0.00 0.00 30.24 28.40 1k2m n GLN 589 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 1k2m s GLU 590 N -2.61 1.82 -0.08 -1.09 0.41 -0.89 -5.01 118.70 111.26 1k2m s GLU 590 Ca 0.41 -2.04 0.02 0.00 -0.41 0.00 0.00 54.97 52.94 1k2m s GLU 590 Cb 0.17 -1.16 0.02 0.00 -1.78 0.00 0.00 34.13 31.38 1k2m s GLU 590 CO -0.03 -0.18 -0.12 -1.54 -0.49 0.00 0.00 175.26 172.90 1k2m s SER 591 N -3.60 1.97 -0.06 -0.19 1.04 -1.26 -0.16 113.70 111.44 1k2m s SER 591 Ca 0.32 -0.32 0.02 0.00 0.48 0.00 0.00 55.95 56.45 1k2m s SER 591 Cb 0.08 -0.88 -0.03 0.00 0.10 0.00 0.00 66.02 65.30 1k2m s SER 591 CO 0.15 0.00 -0.11 -0.76 0.98 0.00 0.00 173.24 173.51 1k2m s LEU 592 N 0.91 2.94 -0.17 2.42 1.43 0.65 -4.93 118.68 121.93 1k2m s LEU 592 Ca -0.10 -0.12 0.01 0.00 -1.03 0.00 0.00 54.13 52.89 1k2m s LEU 592 Cb -0.15 -1.62 0.03 0.00 0.03 0.00 0.00 46.19 44.48 1k2m s LEU 592 CO 0.01 0.35 -0.12 -1.61 0.23 0.00 0.00 176.35 175.20 1k2m s GLU 593 N -0.72 2.16 -0.48 1.70 8.01 -1.26 0.16 118.70 128.27 1k2m s GLU 593 Ca 0.11 -0.69 -0.24 0.00 0.01 0.00 0.00 54.97 54.15 1k2m s GLU 593 Cb -0.11 -2.25 0.03 0.00 -4.31 0.00 0.00 34.13 27.49 1k2m s GLU 593 CO 0.01 -0.33 0.89 0.42 0.01 0.00 0.00 175.26 176.26 1k2m s ILE 594 N 1.45 4.51 0.05 -1.63 1.01 0.26 -4.97 121.20 121.88 1k2m s ILE 594 Ca 0.02 0.55 -0.31 0.00 0.00 0.00 0.00 60.65 60.92 1k2m s ILE 594 Cb -0.14 -4.42 -0.07 0.00 0.01 0.00 0.00 42.46 37.83 1k2m s ILE 594 CO -0.09 -0.86 1.52 -1.10 0.00 0.00 0.00 174.94 174.41 1k2m s GLN 595 N 3.66 4.24 0.56 2.79 1.11 -1.26 -2.27 119.66 128.50 1k2m s GLN 595 Ca 0.34 2.17 0.33 0.00 0.01 0.00 0.00 55.36 58.20 1k2m s GLN 595 Cb -0.11 -3.53 1.47 0.00 -1.01 0.00 0.00 33.01 29.83 1k2m s GLN 595 CO 0.24 -0.64 1.79 -0.56 0.01 0.00 0.00 175.29 176.13 1k2m h GLN 596 N 7.90 0.00 0.00 2.91 -0.00 -1.76 0.70 115.11 124.86 1k2m h GLN 596 Ca -0.41 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.24 1k2m h GLN 596 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.67 1k2m h GLN 596 CO 0.91 0.00 0.00 0.78 -0.00 0.00 0.00 178.83 180.52 1k2m h GLY 597 N 0.00 0.00 -7.74 0.06 0.00 -1.89 -3.43 103.07 90.07 1k2m h GLY 597 Ca 0.46 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 47.13 1k2m h GLY 597 CO -0.00 0.00 -0.51 0.14 0.00 0.00 0.00 176.54 176.16 1k2m s VAL 598 N -3.32 5.15 -0.05 4.60 1.01 0.24 -5.05 120.40 122.98 1k2m s VAL 598 Ca 0.06 -0.08 -0.02 0.00 0.00 0.00 0.00 61.98 61.94 1k2m s VAL 598 Cb 0.09 -3.55 0.03 0.00 0.00 0.00 0.00 36.38 32.95 1k2m s VAL 598 CO 0.57 0.13 0.08 0.21 0.00 0.00 0.00 175.10 176.09 1k2m s ASN 599 N 1.72 0.91 0.45 3.32 2.47 -1.26 -4.04 114.94 118.51 1k2m s ASN 599 Ca 0.06 0.13 -0.03 0.00 0.42 0.00 0.00 52.86 53.45 1k2m s ASN 599 Cb -0.17 -0.04 -0.03 0.00 -1.45 0.00 0.00 41.25 39.57 1k2m s ASN 599 CO 0.10 -0.23 0.72 -2.16 -3.72 0.00 0.00 177.10 171.80 1k2m s PRO 600 N 2.06 3.45 -0.31 0.43 0.04 -1.26 -5.02 135.00 134.38 1k2m s PRO 600 Ca 0.03 -0.01 -0.19 0.00 0.04 0.00 0.00 61.00 60.87 1k2m s PRO 600 Cb -0.12 -2.46 -0.01 0.00 0.04 0.00 0.00 34.50 31.95 1k2m s PRO 600 CO -0.04 -0.15 0.56 0.12 0.04 0.00 0.00 177.00 177.53 1k2m s PHE 601 N -2.63 3.21 -0.02 0.56 5.36 0.33 -4.88 117.98 119.92 1k2m s PHE 601 Ca 0.46 0.43 -0.16 0.00 -0.96 0.00 0.00 56.93 56.70 1k2m s PHE 601 Cb -0.10 -2.91 -0.06 0.00 -0.34 0.00 0.00 43.02 39.62 1k2m s PHE 601 CO 0.42 -0.46 0.45 -0.06 -1.46 0.00 0.00 175.22 174.12 1k2m s PHE 602 N 2.46 3.69 0.03 10.12 0.08 -1.26 0.12 117.98 133.22 1k2m s PHE 602 Ca 0.22 1.02 0.07 0.00 0.12 0.00 0.00 56.93 58.36 1k2m s PHE 602 Cb -0.15 -2.39 -0.02 0.00 -0.57 0.00 0.00 43.02 39.88 1k2m s PHE 602 CO 0.12 0.52 -0.20 0.42 -0.10 0.00 0.00 175.22 175.97 1k2m s ILE 603 N -0.66 1.62 -2.85 0.64 1.09 0.32 0.16 121.20 121.51 1k2m s ILE 603 Ca 0.25 -1.12 0.00 0.00 -1.10 0.00 0.00 60.65 58.68 1k2m s ILE 603 Cb -0.17 -1.40 0.00 0.00 -1.06 0.00 0.00 42.46 39.84 1k2m s ILE 603 CO 0.14 0.24 0.00 0.61 -0.10 0.00 0.00 174.94 175.83 1k2m n GLY 604 N 2.00 -1.88 0.04 6.18 0.00 -1.14 -1.83 105.19 108.56 1k2m n GLY 604 Ca -0.17 -1.14 0.15 0.00 0.00 0.00 0.00 46.02 44.86 1k2m n GLY 604 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1k2m n ARG 605 N -0.38 0.76 -3.91 1.61 0.63 -0.65 -1.72 116.66 113.00 1k2m n ARG 605 Ca 0.00 -0.08 -0.36 0.00 -0.92 0.00 0.00 57.85 56.49 1k2m n ARG 605 Cb 0.00 -1.50 -0.07 0.00 0.45 0.00 0.00 32.46 31.34 1k2m n ARG 605 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 1k2m s SER 606 N -2.30 6.11 0.60 6.15 0.01 -1.16 -4.84 113.70 118.26 1k2m s SER 606 Ca 0.37 0.31 0.30 0.00 1.31 0.00 0.00 55.95 58.24 1k2m s SER 606 Cb 0.21 -2.00 1.77 0.00 0.21 0.00 0.00 66.02 66.21 1k2m s SER 606 CO 0.42 0.31 2.17 -0.08 0.41 0.00 0.00 173.24 176.47 1k2m h GLU 607 N 5.72 0.00 -0.28 12.44 4.22 -1.89 -0.81 114.58 133.97 1k2m h GLU 607 Ca -0.48 0.00 0.08 0.00 0.08 0.00 0.00 59.36 59.04 1k2m h GLU 607 Cb 1.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 1k2m h GLU 607 CO 0.65 0.00 0.23 -0.44 -2.18 0.00 0.00 179.01 177.27 1k2m h ASP 608 N 0.00 0.00 -3.42 1.04 5.19 -1.92 -3.41 116.42 113.90 1k2m h ASP 608 Ca 0.05 0.00 -0.53 0.00 -0.62 0.00 0.00 57.03 55.93 1k2m h ASP 608 Cb 0.29 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.79 1k2m h ASP 608 CO -0.00 0.00 0.45 0.00 -3.12 0.00 0.00 179.24 176.57 1k2m h ASN 610 N 6.09 0.00 -3.71 0.00 4.21 -0.68 -3.38 115.58 118.11 1k2m h ASN 610 Ca -0.42 0.00 -0.68 0.00 1.21 0.00 0.00 56.30 56.40 1k2m h ASN 610 Cb 1.21 0.00 -0.19 0.00 -1.12 0.00 0.00 38.32 38.23 1k2m h ASN 610 CO 0.75 0.00 -0.72 0.00 -1.29 0.00 0.00 177.43 176.18 1k2m s LYS 612 N -1.15 2.68 -0.18 0.00 1.02 -1.26 -2.91 119.74 117.95 1k2m s LYS 612 Ca 0.15 -1.04 -0.04 0.00 0.02 0.00 0.00 55.97 55.06 1k2m s LYS 612 Cb -0.11 -2.70 0.06 0.00 -0.52 0.00 0.00 37.83 34.56 1k2m s LYS 612 CO 0.05 -0.36 0.07 0.42 -0.92 0.00 0.00 175.35 174.61 1k2m s ILE 613 N 1.21 0.16 -0.64 2.17 -1.09 -0.70 -4.98 121.20 117.33 1k2m s ILE 613 Ca -0.01 -0.31 -0.27 0.00 -2.23 0.00 0.00 60.65 57.84 1k2m s ILE 613 Cb -0.16 -0.75 0.04 0.00 -1.58 0.00 0.00 42.46 40.01 1k2m s ILE 613 CO -0.10 -0.24 1.16 -1.61 -1.23 0.00 0.00 174.94 172.92 1k2m s GLU 614 N 2.03 3.32 -0.22 2.79 2.02 -1.26 -3.31 118.70 124.07 1k2m s GLU 614 Ca 0.01 -0.13 -0.01 0.00 0.02 0.00 0.00 54.97 54.86 1k2m s GLU 614 Cb -0.16 -4.10 0.07 0.00 0.10 0.00 0.00 34.13 30.03 1k2m s GLU 614 CO -0.08 -1.84 0.02 -0.51 0.02 0.00 0.00 175.26 172.87 1k2m s ASP 615 N 3.30 3.37 0.42 -0.19 1.01 -1.26 -5.01 116.67 118.31 1k2m s ASP 615 Ca 0.36 -1.06 0.27 0.00 0.71 0.00 0.00 52.55 52.83 1k2m s ASP 615 Cb -0.09 -0.82 1.37 0.00 1.01 0.00 0.00 42.92 44.39 1k2m s ASP 615 CO 0.19 -0.30 1.63 0.78 0.21 0.00 0.00 175.17 177.68 1k2m h ASN 616 N 8.13 0.29 0.35 0.27 4.21 -2.02 0.74 115.58 127.54 1k2m h ASN 616 Ca -0.16 0.15 -0.26 0.00 1.21 0.00 0.00 56.30 57.24 1k2m h ASN 616 Cb 1.09 0.13 0.01 0.00 -1.12 0.00 0.00 38.32 38.44 1k2m h ASN 616 CO 0.38 -0.19 -1.12 0.03 -1.29 0.00 0.00 177.43 175.24 1k2m h ARG 617 N 0.12 0.44 -7.25 0.81 -0.00 -2.00 -3.46 114.38 103.04 1k2m h ARG 617 Ca 0.80 -0.57 -0.52 0.00 -0.50 0.00 0.00 59.98 59.18 1k2m h ARG 617 Cb 2.40 0.19 0.19 0.00 0.00 0.00 0.00 29.97 32.76 1k2m h ARG 617 CO -0.46 1.22 0.26 -0.51 0.00 0.00 0.00 179.97 180.48 1k2m s LEU 618 N -7.62 2.93 0.40 3.04 1.02 0.26 -4.91 118.68 113.80 1k2m s LEU 618 Ca -0.06 2.24 0.08 0.00 0.02 0.00 0.00 54.13 56.41 1k2m s LEU 618 Cb 0.07 -4.57 -0.04 0.00 0.02 0.00 0.00 46.19 41.67 1k2m s LEU 618 CO 0.89 -3.00 0.25 -0.94 0.02 0.00 0.00 176.35 173.57 1k2m s SER 619 N -2.52 4.73 0.19 2.29 1.04 -1.26 -4.77 113.70 113.39 1k2m s SER 619 Ca 0.69 -0.88 -0.19 0.00 0.48 0.00 0.00 55.95 56.05 1k2m s SER 619 Cb -0.24 -0.58 0.16 0.00 0.10 0.00 0.00 66.02 65.46 1k2m s SER 619 CO 0.56 -0.53 1.60 0.03 0.98 0.00 0.00 173.24 175.88 1k2m h ARG 620 N 1.30 -0.12 -2.15 4.02 -0.00 -1.93 -1.51 114.38 113.99 1k2m h ARG 620 Ca -0.43 0.01 -0.62 0.00 -0.50 0.00 0.00 59.98 58.44 1k2m h ARG 620 Cb 1.26 0.03 -0.40 0.00 0.00 0.00 0.00 29.97 30.86 1k2m h ARG 620 CO 0.64 -0.08 -0.38 0.28 0.00 0.00 0.00 179.97 180.43 1k2m n VAL 621 N -5.44 3.39 -0.20 2.04 0.31 -1.26 -2.99 118.33 114.18 1k2m n VAL 621 Ca 0.05 -5.50 0.00 0.00 -0.01 0.00 0.00 64.34 58.88 1k2m n VAL 621 Cb 0.35 -1.39 0.09 0.00 -0.91 0.00 0.00 33.84 31.98 1k2m n VAL 621 CO 0.00 0.00 0.00 -0.74 -1.32 0.00 0.00 176.83 174.77 1k2m h HIS 622 N 3.08 -0.10 -2.36 3.52 2.76 -1.10 -3.40 115.15 117.55 1k2m h HIS 622 Ca 0.22 0.05 0.02 0.00 -2.20 0.00 0.00 60.37 58.46 1k2m h HIS 622 Cb 0.53 0.14 -0.16 0.00 1.55 0.00 0.00 27.41 29.46 1k2m h HIS 622 CO 0.91 -0.18 0.33 0.00 -1.30 0.00 0.00 177.93 177.69 1k2m s PHE 624 N -2.57 0.07 -0.09 0.00 -0.12 0.29 0.12 117.98 115.68 1k2m s PHE 624 Ca -0.01 -0.15 -0.04 0.00 -0.05 0.00 0.00 56.93 56.67 1k2m s PHE 624 Cb -0.01 -0.07 -0.04 0.00 -0.63 0.00 0.00 43.02 42.28 1k2m s PHE 624 CO -0.04 -0.22 0.09 -1.50 -0.05 0.00 0.00 175.22 173.50 1k2m s ILE 625 N -1.13 5.05 -0.04 -4.49 2.07 0.33 0.22 121.20 123.22 1k2m s ILE 625 Ca -0.12 -0.03 0.03 0.00 -1.41 0.00 0.00 60.65 59.12 1k2m s ILE 625 Cb -0.07 -3.21 0.01 0.00 0.13 0.00 0.00 42.46 39.32 1k2m s ILE 625 CO 0.01 0.56 -0.10 0.12 -1.91 0.00 0.00 174.94 173.62 1k2m s PHE 626 N -1.03 1.13 -0.11 3.50 5.36 0.68 0.12 117.98 127.64 1k2m s PHE 626 Ca 0.16 -0.32 -0.11 0.00 -0.96 0.00 0.00 56.93 55.71 1k2m s PHE 626 Cb -0.12 -0.81 -0.05 0.00 -0.34 0.00 0.00 43.02 41.70 1k2m s PHE 626 CO 0.06 -0.15 0.23 0.21 -1.46 0.00 0.00 175.22 174.11 1k2m s LYS 627 N 0.32 3.81 0.10 10.12 2.20 -1.26 0.12 119.74 135.15 1k2m s LYS 627 Ca -0.06 0.03 0.02 0.00 -0.36 0.00 0.00 55.97 55.60 1k2m s LYS 627 Cb -0.11 -3.27 -0.04 0.00 -1.51 0.00 0.00 37.83 32.90 1k2m s LYS 627 CO 0.01 0.59 -0.07 0.21 -0.36 0.00 0.00 175.35 175.74 1k2m s LYS 628 N -0.57 0.82 -0.24 4.03 2.36 0.14 -4.94 119.74 121.34 1k2m s LYS 628 Ca 0.16 -1.31 -0.29 0.00 -2.55 0.00 0.00 55.97 51.99 1k2m s LYS 628 Cb -0.13 -0.22 -0.00 0.00 -1.05 0.00 0.00 37.83 36.42 1k2m s LYS 628 CO 0.05 -0.01 1.24 -0.98 1.55 0.00 0.00 175.35 177.21 1k2m s ARG 629 N -3.71 4.10 0.06 4.03 1.04 -1.26 0.16 118.95 123.37 1k2m s ARG 629 Ca 0.11 1.43 -0.27 0.00 -1.04 0.00 0.00 55.73 55.95 1k2m s ARG 629 Cb 0.04 -3.80 -0.05 0.00 -2.04 0.00 0.00 34.95 29.11 1k2m s ARG 629 CO -0.04 -0.88 0.86 -1.58 -0.04 0.00 0.00 175.30 173.62 1k2m s HIS 630 N 3.83 3.75 -0.00 5.89 5.65 0.53 -4.83 115.29 130.11 1k2m s HIS 630 Ca 0.54 1.61 0.02 0.00 0.25 0.00 0.00 55.06 57.48 1k2m s HIS 630 Cb -0.18 -2.94 -0.01 0.00 -1.18 0.00 0.00 32.58 28.27 1k2m s HIS 630 CO 0.17 0.20 -0.07 0.00 -0.65 0.00 0.00 174.74 174.40 1k2m s ALA 631 N 0.14 0.54 0.66 1.58 0.00 -1.26 -1.76 121.76 121.65 1k2m s ALA 631 Ca 0.43 -0.30 0.01 0.00 0.00 0.00 0.00 51.96 52.10 1k2m s ALA 631 Cb -0.21 -0.13 0.10 0.00 0.00 0.00 0.00 23.12 22.88 1k2m s ALA 631 CO 0.26 0.12 0.91 0.14 0.00 0.00 0.00 175.76 177.19 1k2m s VAL 632 N -0.21 2.27 -0.00 0.00 -7.23 -1.26 -5.05 120.40 108.91 1k2m s VAL 632 Ca 0.02 -0.67 -0.00 0.00 -1.81 0.00 0.00 61.98 59.51 1k2m s VAL 632 Cb -0.03 -2.60 -0.00 0.00 0.56 0.00 0.00 36.38 34.31 1k2m s VAL 632 CO -0.00 0.00 -0.01 0.61 -0.31 0.00 0.00 175.10 175.39 1k2m n GLY 633 N -2.63 -0.32 3.94 2.32 0.00 -1.26 -5.05 105.19 102.19 1k2m n GLY 633 Ca 0.13 -0.01 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 1k2m n GLY 633 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k2m s LYS 634 N -1.05 3.49 -0.45 1.61 1.02 -1.26 -5.07 119.74 118.03 1k2m s LYS 634 Ca -0.01 -0.43 0.02 0.00 0.02 0.00 0.00 55.97 55.57 1k2m s LYS 634 Cb 0.00 -2.81 0.21 0.00 -0.52 0.00 0.00 37.83 34.71 1k2m s LYS 634 CO 0.01 0.35 0.89 -1.13 -0.92 0.00 0.00 175.35 174.54 1k2m n SER 635 N -1.10 -2.70 -4.64 2.83 3.41 -1.26 -4.92 113.62 105.24 1k2m n SER 635 Ca -0.06 -2.34 -0.43 0.00 -0.26 0.00 0.00 58.87 55.78 1k2m n SER 635 Cb 0.55 1.42 -0.03 0.00 -0.26 0.00 0.00 64.21 65.89 1k2m n SER 635 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 1k2m s MET 636 N 0.83 3.97 0.00 4.33 1.75 -1.26 -4.37 119.30 124.55 1k2m s MET 636 Ca 0.28 2.00 0.00 0.00 -1.25 0.00 0.00 55.69 56.72 1k2m s MET 636 Cb 0.08 -4.04 0.00 0.00 2.84 0.00 0.00 34.83 33.71 1k2m s MET 636 CO -0.09 -1.10 0.00 0.66 -0.65 0.00 0.00 175.02 173.84 1k2m n TYR 637 N 7.92 0.00 -3.02 4.11 4.01 -1.26 -4.67 117.16 124.26 1k2m n TYR 637 Ca 0.19 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.52 1k2m n TYR 637 Cb 0.44 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.42 1k2m n TYR 637 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1k2m s GLU 638 N 0.00 4.33 -0.76 -0.72 2.56 -1.26 -5.02 118.70 117.83 1k2m s GLU 638 Ca 0.00 0.85 -0.06 0.00 0.00 0.00 0.00 54.97 55.76 1k2m s GLU 638 Cb 0.00 -3.52 0.19 0.00 2.00 0.00 0.00 34.13 32.80 1k2m s GLU 638 CO 0.00 -0.14 0.63 -1.12 -0.56 0.00 0.00 175.26 174.07 1k2m s SER 639 N 1.02 5.88 0.93 -1.70 0.01 -1.26 -4.72 113.70 113.85 1k2m s SER 639 Ca 0.35 -3.03 -0.14 0.00 1.31 0.00 0.00 55.95 54.44 1k2m s SER 639 Cb -0.17 -1.97 0.16 0.00 0.21 0.00 0.00 66.02 64.25 1k2m s SER 639 CO 0.14 -0.38 1.19 -2.16 0.41 0.00 0.00 173.24 172.45 1k2m s PRO 640 N -0.34 0.93 0.00 12.44 0.04 -1.26 -4.25 135.00 142.56 1k2m s PRO 640 Ca 0.20 0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.27 1k2m s PRO 640 Cb -0.15 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.56 1k2m s PRO 640 CO -0.07 -2.29 0.00 0.00 0.04 0.00 0.00 177.00 174.68 1k2m n ALA 641 N -3.78 0.00 -0.86 8.56 0.00 -1.26 -4.87 120.51 118.30 1k2m n ALA 641 Ca 0.10 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.59 1k2m n ALA 641 Cb 0.60 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.04 1k2m n ALA 641 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1k2m n GLN 642 N 0.00 -0.69 -1.44 0.00 1.13 -1.26 -3.89 117.38 111.22 1k2m n GLN 642 Ca 0.00 0.46 -0.27 0.00 -1.94 0.00 0.00 57.00 55.25 1k2m n GLN 642 Cb 0.00 -0.85 -0.07 0.00 0.11 0.00 0.00 30.24 29.43 1k2m n GLN 642 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1k2m n GLY 643 N -1.09 4.15 0.00 1.08 0.00 -1.25 -4.24 105.19 103.85 1k2m n GLY 643 Ca 0.00 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.33 1k2m n GLY 643 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1k2m n LEU 644 N 1.83 0.00 -4.31 0.99 7.99 -0.72 -4.65 117.00 118.12 1k2m n LEU 644 Ca 0.54 0.00 -0.27 0.00 -0.01 0.00 0.00 56.01 56.27 1k2m n LEU 644 Cb 0.55 0.00 -0.14 0.00 -0.11 0.00 0.00 43.42 43.72 1k2m n LEU 644 CO 0.41 -0.04 -0.54 -1.81 -1.51 0.00 0.00 177.39 173.90 1k2m s ASP 645 N -1.00 2.86 0.17 -1.43 1.01 -1.25 0.20 116.67 117.23 1k2m s ASP 645 Ca 0.00 -0.63 0.06 0.00 0.71 0.00 0.00 52.55 52.69 1k2m s ASP 645 Cb 0.00 -0.22 -0.05 0.00 1.01 0.00 0.00 42.92 43.67 1k2m s ASP 645 CO 0.00 0.17 -0.12 -1.81 0.21 0.00 0.00 175.17 173.61 1k2m s ASP 646 N -1.55 2.16 -0.13 0.27 1.11 0.43 -4.24 116.67 114.71 1k2m s ASP 646 Ca 0.10 -1.01 -0.04 0.00 0.18 0.00 0.00 52.55 51.78 1k2m s ASP 646 Cb -0.10 -0.07 -0.03 0.00 1.07 0.00 0.00 42.92 43.79 1k2m s ASP 646 CO 0.03 -0.25 0.02 0.27 1.18 0.00 0.00 175.17 176.43 1k2m s ILE 647 N -3.10 4.45 -0.13 0.77 -4.36 -1.26 0.25 121.20 117.81 1k2m s ILE 647 Ca 0.19 -0.17 0.02 0.00 -0.26 0.00 0.00 60.65 60.42 1k2m s ILE 647 Cb 0.01 -2.93 -0.00 0.00 1.25 0.00 0.00 42.46 40.78 1k2m s ILE 647 CO 0.04 0.54 -0.19 0.26 0.24 0.00 0.00 174.94 175.82 1k2m s TRP 648 N -0.27 2.69 -0.31 1.37 0.52 0.33 -0.69 118.94 122.58 1k2m s TRP 648 Ca 0.07 -1.04 -0.21 0.00 0.02 0.00 0.00 56.10 54.94 1k2m s TRP 648 Cb -0.12 -1.81 -0.01 0.00 -1.15 0.00 0.00 33.47 30.38 1k2m s TRP 648 CO 0.02 -0.44 0.64 -0.47 0.02 0.00 0.00 176.95 176.72 1k2m s TYR 649 N 0.58 3.21 -0.17 -1.98 5.04 0.51 0.25 117.35 124.79 1k2m s TYR 649 Ca -0.11 0.58 -0.07 0.00 -2.44 0.00 0.00 57.07 55.03 1k2m s TYR 649 Cb -0.16 -3.02 -0.04 0.00 0.35 0.00 0.00 41.96 39.09 1k2m s TYR 649 CO 0.03 -0.49 0.08 0.00 -1.34 0.00 0.00 175.55 173.83 1k2m s HIS 651 N 0.13 2.99 0.00 0.00 2.46 -0.19 0.11 115.29 120.78 1k2m s HIS 651 Ca 0.06 -0.41 0.00 0.00 0.47 0.00 0.00 55.06 55.18 1k2m s HIS 651 Cb -0.12 -1.97 0.00 0.00 -0.13 0.00 0.00 32.58 30.36 1k2m s HIS 651 CO 0.00 -0.12 0.34 0.25 -2.47 0.00 0.00 174.74 172.75 1k2m n THR 652 N 3.71 0.00 -2.61 0.89 -2.24 0.19 0.10 114.28 114.31 1k2m n THR 652 Ca -0.17 -0.39 -0.41 0.00 -2.27 0.00 0.00 64.05 60.81 1k2m n THR 652 Cb 0.52 1.20 -0.05 0.00 -2.10 0.00 0.00 70.33 69.90 1k2m n THR 652 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1k2m s GLY 653 N -0.09 3.01 0.05 3.38 0.00 0.70 -4.80 107.32 109.56 1k2m s GLY 653 Ca 0.00 0.73 0.16 0.00 0.00 0.00 0.00 44.72 45.61 1k2m s GLY 653 CO 0.00 1.44 1.50 2.41 0.00 0.00 0.00 173.10 178.45 1k2m n THR 654 N 1.87 0.99 1.62 0.90 -1.04 -1.26 -2.14 114.28 115.22 1k2m n THR 654 Ca 0.00 0.25 0.11 0.00 -2.04 0.00 0.00 64.05 62.37 1k2m n THR 654 Cb 0.47 -1.04 0.49 0.00 -1.82 0.00 0.00 70.33 68.43 1k2m n THR 654 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1k2m n ASN 655 N -1.63 0.85 -1.51 8.00 3.02 -1.26 -4.96 115.26 117.76 1k2m n ASN 655 Ca 0.03 -1.53 0.00 0.00 -0.03 0.00 0.00 54.58 53.05 1k2m n ASN 655 Cb 0.18 -0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.30 1k2m n ASN 655 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 1k2m n VAL 656 N -0.24 -3.36 -3.89 2.41 3.14 -0.91 -4.87 118.33 110.60 1k2m n VAL 656 Ca 0.16 1.55 -0.22 0.00 -2.96 0.00 0.00 64.34 62.87 1k2m n VAL 656 Cb 0.21 -2.10 -0.05 0.00 -1.06 0.00 0.00 33.84 30.84 1k2m n VAL 656 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1k2m s SER 657 N -2.94 4.98 -0.11 6.55 0.15 0.16 -4.62 113.70 117.86 1k2m s SER 657 Ca 0.00 -0.67 -0.00 0.00 0.70 0.00 0.00 55.95 55.97 1k2m s SER 657 Cb 0.00 -0.79 0.02 0.00 -1.71 0.00 0.00 66.02 63.55 1k2m s SER 657 CO 0.00 -0.40 -0.08 -0.31 1.20 0.00 0.00 173.24 173.66 1k2m s TYR 658 N -2.39 1.50 -0.53 3.44 2.02 0.50 0.11 117.35 121.99 1k2m s TYR 658 Ca 0.41 -0.74 -0.14 0.00 -0.37 0.00 0.00 57.07 56.22 1k2m s TYR 658 Cb -0.04 -1.24 0.13 0.00 -0.40 0.00 0.00 41.96 40.42 1k2m s TYR 658 CO 0.25 -0.51 0.47 -1.17 -1.57 0.00 0.00 175.55 173.02 1k2m s LEU 659 N 1.67 6.08 0.00 -1.29 2.96 0.39 0.21 118.68 128.70 1k2m s LEU 659 Ca 0.04 -1.86 0.00 0.00 -0.22 0.00 0.00 54.13 52.10 1k2m s LEU 659 Cb -0.13 -2.16 0.00 0.00 0.50 0.00 0.00 46.19 44.41 1k2m s LEU 659 CO -0.08 -0.81 0.00 0.59 -1.32 0.00 0.00 176.35 174.74 1k2m n ASN 660 N 5.11 0.00 0.00 3.68 4.13 -0.88 -0.25 115.26 127.05 1k2m n ASN 660 Ca -0.11 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.15 1k2m n ASN 660 Cb 0.40 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.64 1k2m n ASN 660 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 1k2m n ASN 661 N 1.53 0.37 -4.77 6.41 6.94 -1.26 -5.03 115.26 119.45 1k2m n ASN 661 Ca 0.00 -1.06 -0.35 0.00 -0.02 0.00 0.00 54.58 53.15 1k2m n ASN 661 Cb 0.00 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 37.34 1k2m n ASN 661 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 1k2m s ASN 662 N -0.06 5.69 0.27 0.53 -0.87 0.65 -5.09 114.94 116.07 1k2m s ASN 662 Ca 0.00 0.24 -0.29 0.00 -1.57 0.00 0.00 52.86 51.24 1k2m s ASN 662 Cb 0.00 -1.69 -0.09 0.00 -0.02 0.00 0.00 41.25 39.45 1k2m s ASN 662 CO 0.00 0.35 0.98 -0.60 -2.57 0.00 0.00 177.10 175.26 1k2m s ARG 663 N -1.19 4.72 -0.41 -0.60 3.52 -1.26 -0.46 118.95 123.27 1k2m s ARG 663 Ca 0.17 1.52 -0.00 0.00 -0.13 0.00 0.00 55.73 57.29 1k2m s ARG 663 Cb -0.12 -3.12 0.11 0.00 -1.56 0.00 0.00 34.95 30.27 1k2m s ARG 663 CO 0.06 0.37 0.18 -1.64 -0.81 0.00 0.00 175.30 173.46 1k2m s MET 664 N -1.49 1.88 0.39 5.12 -1.94 0.29 -4.85 119.30 118.69 1k2m s MET 664 Ca 0.45 -1.94 -0.09 0.00 -1.71 0.00 0.00 55.69 52.40 1k2m s MET 664 Cb -0.25 -3.46 -0.06 0.00 2.01 0.00 0.00 34.83 33.07 1k2m s MET 664 CO 0.32 -1.04 0.73 0.96 -0.01 0.00 0.00 175.02 175.98 1k2m s ILE 665 N 0.89 4.85 -0.52 2.53 -4.36 -1.26 -0.67 121.20 122.65 1k2m s ILE 665 Ca 0.10 0.46 -0.32 0.00 -0.26 0.00 0.00 60.65 60.64 1k2m s ILE 665 Cb -0.22 -3.75 -0.12 0.00 1.25 0.00 0.00 42.46 39.62 1k2m s ILE 665 CO -0.05 -0.52 2.36 1.67 0.24 0.00 0.00 174.94 178.64 1k2m n GLN 666 N -1.34 0.86 0.00 0.37 7.27 -1.26 -2.07 117.38 121.21 1k2m n GLN 666 Ca 0.01 0.15 0.00 0.00 0.07 0.00 0.00 57.00 57.23 1k2m n GLN 666 Cb 0.54 -2.56 0.00 0.00 2.41 0.00 0.00 30.24 30.63 1k2m n GLN 666 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1k2m n GLY 667 N 6.37 1.04 3.13 1.69 0.00 0.28 -4.95 105.19 112.74 1k2m n GLY 667 Ca 0.45 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.30 1k2m n GLY 667 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1k2m s THR 668 N -2.00 0.91 -0.04 2.61 -4.23 -0.88 0.21 115.64 112.22 1k2m s THR 668 Ca 0.00 -1.14 0.05 0.00 -1.18 0.00 0.00 61.69 59.42 1k2m s THR 668 Cb 0.00 -0.89 -0.01 0.00 1.34 0.00 0.00 72.50 72.94 1k2m s THR 668 CO 0.00 -0.22 -0.20 -1.59 -0.54 0.00 0.00 174.62 172.07 1k2m s LYS 669 N -1.53 1.97 0.00 3.99 -2.85 0.17 -1.03 119.74 120.47 1k2m s LYS 669 Ca -0.04 -0.72 0.03 0.00 -1.00 0.00 0.00 55.97 54.25 1k2m s LYS 669 Cb -0.09 -1.74 -0.01 0.00 -2.06 0.00 0.00 37.83 33.93 1k2m s LYS 669 CO 0.01 0.33 -0.11 0.12 0.10 0.00 0.00 175.35 175.80 1k2m s PHE 670 N -0.14 0.96 0.34 1.78 5.36 0.03 -0.09 117.98 126.23 1k2m s PHE 670 Ca -0.01 -0.22 -0.28 0.00 -0.96 0.00 0.00 56.93 55.46 1k2m s PHE 670 Cb -0.11 -0.61 -0.10 0.00 -0.34 0.00 0.00 43.02 41.87 1k2m s PHE 670 CO 0.02 -0.01 1.22 -1.17 -1.46 0.00 0.00 175.22 173.82 1k2m s LEU 671 N -0.48 4.38 -0.37 6.12 0.20 -1.26 0.19 118.68 127.47 1k2m s LEU 671 Ca 0.03 2.51 -0.04 0.00 0.69 0.00 0.00 54.13 57.31 1k2m s LEU 671 Cb -0.05 -3.76 0.08 0.00 -0.43 0.00 0.00 46.19 42.02 1k2m s LEU 671 CO -0.00 -0.51 0.14 -0.76 -0.29 0.00 0.00 176.35 174.93 1k2m s LEU 672 N -1.95 4.69 0.58 -0.68 1.43 0.13 -4.84 118.68 118.04 1k2m s LEU 672 Ca 0.51 -1.57 -0.14 0.00 -1.03 0.00 0.00 54.13 51.89 1k2m s LEU 672 Cb -0.36 -1.83 -0.05 0.00 0.03 0.00 0.00 46.19 43.99 1k2m s LEU 672 CO 0.46 -0.42 1.02 -1.10 0.23 0.00 0.00 176.35 176.54 1k2m s GLN 673 N 1.27 3.58 -0.33 1.70 -0.21 -1.25 -4.59 119.66 119.83 1k2m s GLN 673 Ca 0.02 0.98 -0.33 0.00 0.02 0.00 0.00 55.36 56.04 1k2m s GLN 673 Cb -0.21 -2.08 -0.10 0.00 1.00 0.00 0.00 33.01 31.62 1k2m s GLN 673 CO -0.01 -0.58 2.21 -3.47 -2.12 0.00 0.00 175.29 171.32 1k2m n ASP 674 N -2.14 2.38 -0.04 5.90 -0.08 0.55 -0.95 116.55 122.17 1k2m n ASP 674 Ca 0.07 0.34 0.00 0.00 -1.51 0.00 0.00 54.79 53.69 1k2m n ASP 674 Cb 0.54 -1.34 0.00 0.00 2.34 0.00 0.00 41.12 42.66 1k2m n ASP 674 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1k2m n GLY 675 N 6.36 1.17 3.59 0.27 0.00 0.12 -4.94 105.19 111.76 1k2m n GLY 675 Ca 0.39 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.91 1k2m n GLY 675 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1k2m s ASP 676 N -2.11 6.55 -0.43 1.61 1.11 -0.12 -4.73 116.67 118.55 1k2m s ASP 676 Ca 0.00 0.38 -0.18 0.00 0.18 0.00 0.00 52.55 52.94 1k2m s ASP 676 Cb 0.00 -2.38 0.02 0.00 1.07 0.00 0.00 42.92 41.63 1k2m s ASP 676 CO 0.00 -0.66 0.47 -1.61 1.18 0.00 0.00 175.17 174.54 1k2m s GLU 677 N 2.96 3.11 -0.25 8.23 8.01 -1.26 0.13 118.70 139.64 1k2m s GLU 677 Ca 0.30 -0.73 -0.08 0.00 0.01 0.00 0.00 54.97 54.47 1k2m s GLU 677 Cb -0.14 -3.97 -0.03 0.00 -4.31 0.00 0.00 34.13 25.68 1k2m s GLU 677 CO 0.15 -0.89 0.08 0.96 0.01 0.00 0.00 175.26 175.57 1k2m s ILE 678 N 2.23 4.41 -0.33 -1.63 -4.36 0.36 -2.08 121.20 119.79 1k2m s ILE 678 Ca 0.13 -0.14 -0.23 0.00 -0.26 0.00 0.00 60.65 60.15 1k2m s ILE 678 Cb -0.17 -3.06 0.00 0.00 1.25 0.00 0.00 42.46 40.48 1k2m s ILE 678 CO 0.14 0.34 0.76 -0.54 0.24 0.00 0.00 174.94 175.88 1k2m s LYS 679 N 1.55 3.86 0.05 0.37 1.02 0.56 -0.94 119.74 126.22 1k2m s LYS 679 Ca 0.06 0.42 0.01 0.00 0.02 0.00 0.00 55.97 56.48 1k2m s LYS 679 Cb -0.15 -3.76 -0.26 0.00 -0.52 0.00 0.00 37.83 33.14 1k2m s LYS 679 CO 0.04 -0.73 1.04 0.82 -0.92 0.00 0.00 175.35 175.60 1k2m h ILE 680 N 5.65 1.39 -2.38 2.17 2.04 -1.75 1.46 117.51 126.10 1k2m h ILE 680 Ca -0.25 -3.04 -0.06 0.00 1.00 0.00 0.00 64.86 62.51 1k2m h ILE 680 Cb 1.10 2.81 -0.24 0.00 -0.74 0.00 0.00 36.82 39.75 1k2m h ILE 680 CO 0.88 0.86 -0.14 -0.51 0.00 0.00 0.00 178.15 179.23 1k2m s ILE 681 N -2.65 -0.01 -0.05 -0.67 1.10 -1.25 -4.27 121.20 113.39 1k2m s ILE 681 Ca -0.04 0.04 -0.00 0.00 -0.51 0.00 0.00 60.65 60.13 1k2m s ILE 681 Cb 0.08 -0.77 0.03 0.00 0.15 0.00 0.00 42.46 41.94 1k2m s ILE 681 CO 0.85 0.02 -0.01 0.86 -2.11 0.00 0.00 174.94 174.55 1k2m s TRP 682 N 1.24 0.57 -0.18 3.50 -0.00 -1.26 0.19 118.94 123.00 1k2m s TRP 682 Ca -0.08 -0.11 0.01 0.00 -0.00 0.00 0.00 56.10 55.92 1k2m s TRP 682 Cb -0.06 -0.66 0.04 0.00 -0.00 0.00 0.00 33.47 32.78 1k2m s TRP 682 CO -0.12 -0.24 -0.12 0.34 -0.00 0.00 0.00 176.95 176.80 1k2m s ASP 683 N 1.54 3.16 0.05 5.86 -1.08 -0.81 -4.99 116.67 120.39 1k2m s ASP 683 Ca -0.02 -0.75 -0.20 0.00 -0.52 0.00 0.00 52.55 51.06 1k2m s ASP 683 Cb -0.13 -1.23 -0.12 0.00 -1.46 0.00 0.00 42.92 39.98 1k2m s ASP 683 CO -0.03 -0.11 1.43 0.50 0.52 0.00 0.00 175.17 177.48 1k2m h LYS 684 N 8.00 0.34 -0.74 4.34 3.64 -1.94 1.11 116.57 131.31 1k2m h LYS 684 Ca -0.32 -0.14 -0.05 0.00 -1.27 0.00 0.00 60.65 58.87 1k2m h LYS 684 Cb 1.11 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.88 1k2m h LYS 684 CO 0.50 0.63 0.25 -0.97 -2.27 0.00 0.00 179.45 177.58 1k2m h ASN 685 N 0.04 1.06 0.58 4.20 -0.00 -1.99 -3.06 115.58 116.41 1k2m h ASN 685 Ca 0.04 -0.20 0.00 0.00 -0.00 0.00 0.00 56.30 56.14 1k2m h ASN 685 Cb 0.51 -0.28 0.00 0.00 -0.00 0.00 0.00 38.32 38.55 1k2m h ASN 685 CO 0.02 0.98 -1.26 0.59 -0.00 0.00 0.00 177.43 177.76 1k2m n ASN 686 N -4.28 0.56 -0.35 1.15 3.02 -1.23 -4.95 115.26 109.19 1k2m n ASN 686 Ca 0.06 0.09 -0.05 0.00 -0.03 0.00 0.00 54.58 54.65 1k2m n ASN 686 Cb 0.22 0.93 -0.02 0.00 -0.61 0.00 0.00 39.78 40.30 1k2m n ASN 686 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1k2m n LYS 687 N -2.36 -1.29 -2.88 3.52 3.00 0.38 -4.93 118.16 113.59 1k2m n LYS 687 Ca -0.00 0.56 -0.43 0.00 -0.00 0.00 0.00 58.31 58.43 1k2m n LYS 687 Cb 0.52 -4.64 -0.04 0.00 0.00 0.00 0.00 35.03 30.87 1k2m n LYS 687 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.40 176.81 1k2m s PHE 688 N -1.68 2.83 -0.03 5.64 -0.12 -1.13 -4.86 117.98 118.62 1k2m s PHE 688 Ca 0.00 -0.11 0.07 0.00 -0.05 0.00 0.00 56.93 56.85 1k2m s PHE 688 Cb 0.00 -4.00 -0.02 0.00 -0.63 0.00 0.00 43.02 38.37 1k2m s PHE 688 CO 0.00 -1.31 -0.25 0.54 -0.05 0.00 0.00 175.22 174.14 1k2m s VAL 689 N 3.76 2.09 0.14 -2.49 0.11 -1.26 -1.93 120.40 120.82 1k2m s VAL 689 Ca 0.28 -1.08 0.08 0.00 -2.93 0.00 0.00 61.98 58.32 1k2m s VAL 689 Cb -0.14 -1.73 -0.04 0.00 -1.53 0.00 0.00 36.38 32.94 1k2m s VAL 689 CO 0.18 0.58 -0.10 -0.63 -3.33 0.00 0.00 175.10 171.80 1k2m s ILE 690 N -0.50 3.27 -0.30 7.04 -1.09 0.51 -0.89 121.20 129.25 1k2m s ILE 690 Ca 0.07 -1.46 -0.17 0.00 -2.23 0.00 0.00 60.65 56.86 1k2m s ILE 690 Cb -0.11 -2.57 0.21 0.00 -1.58 0.00 0.00 42.46 38.41 1k2m s ILE 690 CO 0.00 0.00 1.29 -0.83 -1.23 0.00 0.00 174.94 174.18 1k2m s GLY 691 N -2.51 0.65 0.03 6.18 0.00 -1.26 -2.65 107.32 107.75 1k2m s GLY 691 Ca 0.23 3.86 0.06 0.00 0.00 0.00 0.00 44.72 48.87 1k2m s GLY 691 CO 0.14 2.71 -0.13 -1.36 0.00 0.00 0.00 173.10 174.46 1k2m s PHE 692 N 0.93 2.70 -0.31 1.90 0.08 -0.11 -2.03 117.98 121.14 1k2m s PHE 692 Ca -0.07 -0.17 -0.11 0.00 0.12 0.00 0.00 56.93 56.70 1k2m s PHE 692 Cb -0.02 -1.52 -0.03 0.00 -0.57 0.00 0.00 43.02 40.88 1k2m s PHE 692 CO -0.10 0.31 0.20 0.21 -0.10 0.00 0.00 175.22 175.74 1k2m s LYS 693 N -1.48 3.60 -0.04 0.44 2.20 -1.03 -0.49 119.74 122.94 1k2m s LYS 693 Ca 0.16 -0.56 -0.30 0.00 -0.36 0.00 0.00 55.97 54.91 1k2m s LYS 693 Cb -0.11 -3.70 -0.02 0.00 -1.51 0.00 0.00 37.83 32.49 1k2m s LYS 693 CO 0.07 -0.35 1.00 0.08 -0.36 0.00 0.00 175.35 175.78 1k2m s VAL 694 N 1.71 4.81 -0.22 4.02 1.01 0.35 -0.78 120.40 131.29 1k2m s VAL 694 Ca 0.06 2.04 -0.02 0.00 0.00 0.00 0.00 61.98 64.05 1k2m s VAL 694 Cb -0.17 -4.31 0.07 0.00 0.00 0.00 0.00 36.38 31.97 1k2m s VAL 694 CO 0.10 0.09 0.03 -0.70 0.00 0.00 0.00 175.10 174.62 1k2m s GLU 695 N 1.45 0.77 -0.55 2.72 2.56 0.44 0.14 118.70 126.22 1k2m s GLU 695 Ca 0.51 -0.57 -0.28 0.00 0.00 0.00 0.00 54.97 54.62 1k2m s GLU 695 Cb -0.20 -2.14 0.01 0.00 2.00 0.00 0.00 34.13 33.80 1k2m s GLU 695 CO 0.24 -0.69 1.41 0.42 -0.56 0.00 0.00 175.26 176.08 1k2m s ILE 696 N 1.78 3.79 -0.22 -3.70 1.01 -1.26 -0.65 121.20 121.94 1k2m s ILE 696 Ca -0.00 0.68 -0.20 0.00 0.00 0.00 0.00 60.65 61.13 1k2m s ILE 696 Cb -0.17 -4.43 -0.17 0.00 0.01 0.00 0.00 42.46 37.69 1k2m s ILE 696 CO -0.10 -1.15 0.09 0.59 0.00 0.00 0.00 174.94 174.37 1k2m n ASN 697 N 9.54 1.88 -4.52 3.58 5.03 -0.37 -4.93 115.26 125.47 1k2m n ASN 697 Ca 0.13 0.41 -0.33 0.00 0.87 0.00 0.00 54.58 55.65 1k2m n ASN 697 Cb 0.49 -0.94 -0.12 0.00 -1.02 0.00 0.00 39.78 38.19 1k2m n ASN 697 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1k2m s ASP 698 N -6.97 4.28 -0.37 6.41 2.15 -1.08 -5.07 116.67 116.02 1k2m s ASP 698 Ca -0.31 -0.13 0.00 0.00 0.43 0.00 0.00 52.55 52.55 1k2m s ASP 698 Cb 0.08 -1.01 0.10 0.00 -0.30 0.00 0.00 42.92 41.79 1k2m s ASP 698 CO 0.57 0.35 0.13 0.28 -0.17 0.00 0.00 175.17 176.32 1k2m s THR 699 N -0.72 2.83 -1.06 1.71 -1.32 -1.26 -4.57 115.64 111.25 1k2m s THR 699 Ca 0.11 -2.15 -0.09 0.00 -1.21 0.00 0.00 61.69 58.35 1k2m s THR 699 Cb -0.11 -2.98 -0.07 0.00 -1.51 0.00 0.00 72.50 67.83 1k2m s THR 699 CO 0.01 -0.62 2.25 0.41 -2.21 0.00 0.00 174.62 174.46 1k2m n THR 700 N 4.45 2.75 -3.61 5.08 -1.04 -1.26 -4.30 114.28 116.35 1k2m n THR 700 Ca -0.00 -1.77 -0.21 0.00 -2.04 0.00 0.00 64.05 60.03 1k2m n THR 700 Cb 0.42 -2.28 0.06 0.00 -1.82 0.00 0.00 70.33 66.71 1k2m n THR 700 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1k2m n GLY 701 N 3.86 -0.38 1.47 3.41 0.00 -1.26 -4.91 105.19 107.38 1k2m n GLY 701 Ca 0.52 0.14 -0.12 0.00 0.00 0.00 0.00 46.02 46.57 1k2m n GLY 701 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1k2m n LEU 702 N -4.38 4.73 -0.90 0.99 -0.00 -1.26 -4.16 117.00 112.03 1k2m n LEU 702 Ca -0.21 -4.00 0.12 0.00 -0.00 0.00 0.00 56.01 51.92 1k2m n LEU 702 Cb 0.64 -0.63 -0.04 0.00 -0.00 0.00 0.00 43.42 43.39 1k2m n LEU 702 CO 0.66 1.42 -0.22 0.33 -0.00 0.00 0.00 177.39 179.59 1k2m n PHE 703 N -1.04 -2.28 0.00 1.47 -0.00 -1.26 -3.75 117.46 110.60 1k2m n PHE 703 Ca 0.39 1.16 0.00 0.00 -0.00 0.00 0.00 57.45 59.00 1k2m n PHE 703 Cb 1.02 -2.07 0.00 0.00 -0.00 0.00 0.00 39.48 38.42 1k2m n PHE 703 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 1k2m n ASN 704 N -3.28 0.00 0.00 -2.13 5.15 -1.26 -4.63 115.26 109.11 1k2m n ASN 704 Ca -0.01 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.97 1k2m n ASN 704 Cb 0.41 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.66 1k2m n ASN 704 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 1k2m n GLU 705 N -2.57 0.00 0.00 1.20 0.28 -1.25 -4.96 120.64 113.35 1k2m n GLU 705 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1k2m n GLU 705 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1k2m n GLU 705 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1k2m n GLY 706 N 0.00 -1.63 0.00 -1.84 0.00 -1.26 -4.66 105.19 95.80 1k2m n GLY 706 Ca 0.00 0.81 0.07 0.00 0.00 0.00 0.00 46.02 46.91 1k2m n GLY 706 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1k2m n LEU 707 N 0.00 0.72 -3.17 0.99 -0.00 -1.26 -0.33 117.00 113.95 1k2m n LEU 707 Ca 0.00 -0.49 -0.01 0.00 -0.00 0.00 0.00 56.01 55.51 1k2m n LEU 707 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1k2m n LEU 707 CO 0.00 0.18 -0.50 0.61 -0.00 0.00 0.00 177.39 177.68 1k2m n GLY 708 N 1.37 -0.24 3.22 -3.96 0.00 -1.26 -5.00 105.19 99.32 1k2m n GLY 708 Ca 0.03 0.04 -0.07 0.00 0.00 0.00 0.00 46.02 46.02 1k2m n GLY 708 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1k2m s MET 709 N -1.06 0.38 0.00 1.61 0.23 -1.26 -4.75 119.30 114.46 1k2m s MET 709 Ca 0.01 0.97 0.00 0.00 -1.03 0.00 0.00 55.69 55.64 1k2m s MET 709 Cb -0.00 0.24 0.00 0.00 -1.53 0.00 0.00 34.83 33.53 1k2m s MET 709 CO 0.06 -0.37 0.00 1.47 -2.03 0.00 0.00 175.02 174.15 1k2m n LEU 710 N 5.40 0.00 -0.23 0.18 -0.00 -1.26 -5.02 117.00 116.06 1k2m n LEU 710 Ca -0.07 0.00 0.04 0.00 -0.00 0.00 0.00 56.01 55.98 1k2m n LEU 710 Cb 0.50 0.00 0.15 0.00 -0.00 0.00 0.00 43.42 44.07 1k2m n LEU 710 CO 0.01 0.00 0.89 1.56 -0.00 0.00 0.00 177.39 179.85 1k2m h GLN 711 N 0.00 0.20 -5.65 1.47 4.20 -2.03 -3.39 115.11 109.90 1k2m h GLN 711 Ca 0.00 -0.01 -0.64 0.00 0.06 0.00 0.00 58.65 58.06 1k2m h GLN 711 Cb 0.00 -0.04 -0.08 0.00 0.30 0.00 0.00 27.48 27.66 1k2m h GLN 711 CO 0.00 0.13 -0.40 -1.21 -0.67 0.00 0.00 178.83 176.68 1k2m s GLU 712 N -6.09 3.74 -0.61 1.46 0.41 -1.26 -5.05 118.70 111.30 1k2m s GLU 712 Ca -0.13 0.00 -0.20 0.00 -0.41 0.00 0.00 54.97 54.23 1k2m s GLU 712 Cb 0.20 -3.26 0.09 0.00 -1.78 0.00 0.00 34.13 29.38 1k2m s GLU 712 CO 0.75 0.63 0.80 -1.14 -0.49 0.00 0.00 175.26 175.81 1k2m s GLN 713 N -0.67 3.08 -0.18 1.61 0.74 -1.26 -4.68 119.66 118.30 1k2m s GLN 713 Ca 0.16 -1.07 -0.11 0.00 0.05 0.00 0.00 55.36 54.39 1k2m s GLN 713 Cb -0.13 -4.23 0.02 0.00 1.10 0.00 0.00 33.01 29.76 1k2m s GLN 713 CO 0.05 -1.62 0.21 0.54 -0.55 0.00 0.00 175.29 173.92 1k2m n ARG 714 N 6.88 -1.18 -4.77 1.67 5.12 -1.26 -5.00 116.66 118.12 1k2m n ARG 714 Ca -0.07 1.24 -0.26 0.00 -1.93 0.00 0.00 57.85 56.83 1k2m n ARG 714 Cb 0.44 -2.00 -0.15 0.00 -1.16 0.00 0.00 32.46 29.59 1k2m n ARG 714 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1k2m s VAL 715 N -1.28 1.65 -0.04 1.55 -7.23 -1.26 -4.98 120.40 108.81 1k2m s VAL 715 Ca 0.11 -1.09 -0.26 0.00 -1.81 0.00 0.00 61.98 58.94 1k2m s VAL 715 Cb -0.01 -1.41 -0.04 0.00 0.56 0.00 0.00 36.38 35.48 1k2m s VAL 715 CO 0.36 0.29 0.81 -0.69 -0.31 0.00 0.00 175.10 175.56 1k2m s VAL 716 N -0.69 4.96 0.41 1.32 1.01 -1.26 -4.67 120.40 121.49 1k2m s VAL 716 Ca 0.08 1.68 0.08 0.00 0.00 0.00 0.00 61.98 63.81 1k2m s VAL 716 Cb -0.08 -4.15 0.00 0.00 0.00 0.00 0.00 36.38 32.15 1k2m s VAL 716 CO 0.01 0.23 0.52 -0.76 0.00 0.00 0.00 175.10 175.10 1k2m s LEU 717 N 0.83 3.65 0.20 3.92 1.43 0.88 -4.93 118.68 124.65 1k2m s LEU 717 Ca 0.43 -0.45 0.05 0.00 -1.03 0.00 0.00 54.13 53.13 1k2m s LEU 717 Cb -0.19 -2.56 -0.03 0.00 0.03 0.00 0.00 46.19 43.43 1k2m s LEU 717 CO 0.22 -0.70 0.24 -0.54 0.23 0.00 0.00 176.35 175.80 1k2m s LYS 718 N -4.29 3.17 0.41 1.70 1.02 -1.26 0.43 119.74 120.93 1k2m s LYS 718 Ca 0.53 -0.82 -0.04 0.00 0.02 0.00 0.00 55.97 55.66 1k2m s LYS 718 Cb -0.09 -2.77 -0.04 0.00 -0.52 0.00 0.00 37.83 34.42 1k2m s LYS 718 CO 0.32 0.46 0.69 -0.65 -0.92 0.00 0.00 175.35 175.25 1k2m s GLN 719 N -3.54 3.56 0.25 1.68 -0.21 0.13 -4.58 119.66 116.95 1k2m s GLN 719 Ca 0.33 0.05 0.01 0.00 0.02 0.00 0.00 55.36 55.78 1k2m s GLN 719 Cb -0.09 -2.49 -0.00 0.00 1.00 0.00 0.00 33.01 31.42 1k2m s GLN 719 CO 0.26 -0.04 0.05 0.25 -2.12 0.00 0.00 175.29 173.69 1k2m n THR 720 N -1.88 0.00 -0.16 -0.19 -2.24 -1.26 -4.96 114.28 103.59 1k2m n THR 720 Ca -0.01 -1.32 0.17 0.00 -2.27 0.00 0.00 64.05 60.62 1k2m n THR 720 Cb 0.55 0.39 0.54 0.00 -2.10 0.00 0.00 70.33 69.70 1k2m n THR 720 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1k2m h ALA 721 N 1.28 2.20 -0.35 6.98 0.00 -1.99 -0.52 119.26 126.85 1k2m h ALA 721 Ca -0.20 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1k2m h ALA 721 Cb 0.69 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1k2m h ALA 721 CO 0.32 -0.41 0.14 1.49 0.00 0.00 0.00 179.25 180.79 1k2m h GLU 722 N 0.35 0.53 0.08 0.00 4.81 -1.99 -1.81 114.58 116.54 1k2m h GLU 722 Ca 0.37 -0.10 -0.00 0.00 -0.13 0.00 0.00 59.36 59.50 1k2m h GLU 722 Cb 0.95 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.24 1k2m h GLU 722 CO -0.11 0.52 -0.04 1.49 -0.73 0.00 0.00 179.01 180.14 1k2m h GLU 723 N 0.42 -0.10 -0.69 1.92 4.81 -1.51 -2.64 114.58 116.78 1k2m h GLU 723 Ca 0.12 0.01 0.16 0.00 -0.13 0.00 0.00 59.36 59.51 1k2m h GLU 723 Cb 0.19 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.55 1k2m h GLU 723 CO -0.01 0.10 0.47 -0.22 -0.73 0.00 0.00 179.01 178.62 1k2m h LYS 724 N -0.30 0.26 -0.35 1.92 3.64 -1.27 0.27 116.57 120.74 1k2m h LYS 724 Ca -0.01 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.23 1k2m h LYS 724 Cb 0.25 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1k2m h LYS 724 CO 0.02 0.17 -0.27 0.22 -2.27 0.00 0.00 179.45 177.32 1k2m h ASP 725 N 0.26 0.74 -0.61 4.20 3.58 -0.99 -0.83 116.42 122.77 1k2m h ASP 725 Ca 0.34 -0.28 0.04 0.00 0.42 0.00 0.00 57.03 57.55 1k2m h ASP 725 Cb 0.95 -0.20 -0.04 0.00 1.72 0.00 0.00 39.33 41.75 1k2m h ASP 725 CO -0.08 0.97 0.36 -0.07 -2.88 0.00 0.00 179.24 177.54 1k2m h LEU 726 N 0.62 0.57 -0.13 2.28 3.38 -0.63 -2.15 115.31 119.25 1k2m h LEU 726 Ca 0.08 0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.92 1k2m h LEU 726 Cb 0.77 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 1k2m h LEU 726 CO 0.06 0.39 -0.68 1.62 0.09 0.00 0.00 178.44 179.92 1k2m h VAL 727 N 0.70 1.21 -0.24 1.22 3.04 -1.44 -3.22 116.25 117.51 1k2m h VAL 727 Ca 0.26 -2.59 0.07 0.00 -1.01 0.00 0.00 66.70 63.42 1k2m h VAL 727 Cb 0.07 2.52 -0.01 0.00 -2.01 0.00 0.00 31.29 31.86 1k2m h VAL 727 CO -0.13 0.66 0.18 0.50 -1.01 0.00 0.00 177.57 177.77 1k2m h LYS 728 N 0.00 0.02 -0.65 4.17 3.64 -0.48 0.18 116.57 123.45 1k2m h LYS 728 Ca -0.01 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1k2m h LYS 728 Cb 1.46 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.28 1k2m h LYS 728 CO 0.09 0.01 0.00 1.63 -2.27 0.00 0.00 179.45 178.91 1k2m n LYS 729 N -4.47 3.11 0.00 1.90 5.02 -1.10 -5.09 118.16 117.53 1k2m n LYS 729 Ca 0.03 -2.49 0.10 0.00 -2.02 0.00 0.00 58.31 53.94 1k2m n LYS 729 Cb 0.32 -1.71 0.62 0.00 -0.02 0.00 0.00 35.03 34.24 1k2m n LYS 729 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77