#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 2.01 0.00 1.61 6.94 -1.26 -4.84 115.26 119.72 1k2m n ASN 574 Ca 0.00 -1.75 0.00 0.00 -0.02 0.00 0.00 54.58 52.81 1k2m n ASN 574 Cb 0.00 -0.11 0.00 0.00 -2.36 0.00 0.00 39.78 37.31 1k2m n ASN 574 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1k2m n GLY 575 N 1.21 1.93 3.30 4.83 0.00 -1.26 -5.07 105.19 110.13 1k2m n GLY 575 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 3.33 -0.26 1.61 3.52 -1.26 -0.16 118.95 125.73 1k2m s ARG 576 Ca 0.00 -0.65 -0.08 0.00 -0.13 0.00 0.00 55.73 54.87 1k2m s ARG 576 Cb 0.00 -3.02 -0.13 0.00 -1.56 0.00 0.00 34.95 30.24 1k2m s ARG 576 CO 0.00 -0.22 -0.30 0.34 -0.81 0.00 0.00 175.30 174.31 1k2m n PHE 577 N 4.79 0.00 -5.04 5.12 -0.00 -0.83 -2.64 117.46 118.87 1k2m n PHE 577 Ca -0.18 0.00 -0.30 0.00 -0.00 0.00 0.00 57.45 56.97 1k2m n PHE 577 Cb 0.50 -0.95 -0.15 0.00 -0.00 0.00 0.00 39.48 38.88 1k2m n PHE 577 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.76 175.59 1k2m s LEU 578 N -7.08 2.12 -0.21 -2.13 2.96 -1.04 -0.91 118.68 112.39 1k2m s LEU 578 Ca -0.36 -0.53 0.01 0.00 -0.22 0.00 0.00 54.13 53.04 1k2m s LEU 578 Cb 0.12 -1.26 0.04 0.00 0.50 0.00 0.00 46.19 45.59 1k2m s LEU 578 CO 0.51 0.27 -0.13 -0.89 -1.32 0.00 0.00 176.35 174.79 1k2m s THR 579 N -0.71 1.87 -0.40 3.68 2.01 0.86 0.16 115.64 123.11 1k2m s THR 579 Ca 0.10 -1.16 -0.12 0.00 0.31 0.00 0.00 61.69 60.83 1k2m s THR 579 Cb -0.10 -1.90 0.04 0.00 0.01 0.00 0.00 72.50 70.56 1k2m s THR 579 CO 0.01 0.20 0.25 -0.76 -0.69 0.00 0.00 174.62 173.63 1k2m s LEU 580 N 1.30 4.96 -0.45 4.42 1.43 0.48 0.16 118.68 130.98 1k2m s LEU 580 Ca -0.02 -1.11 -0.04 0.00 -1.03 0.00 0.00 54.13 51.92 1k2m s LEU 580 Cb -0.17 -2.06 0.12 0.00 0.03 0.00 0.00 46.19 44.12 1k2m s LEU 580 CO -0.08 -0.45 0.27 -0.54 0.23 0.00 0.00 176.35 175.77 1k2m s LYS 581 N 1.56 2.18 -0.84 1.70 1.02 0.71 0.24 119.74 126.31 1k2m s LYS 581 Ca 0.03 -1.90 -0.28 0.00 0.02 0.00 0.00 55.97 53.84 1k2m s LYS 581 Cb -0.20 -3.68 -0.18 0.00 -0.52 0.00 0.00 37.83 33.25 1k2m s LYS 581 CO 0.06 -1.11 2.57 -2.30 -0.92 0.00 0.00 175.35 173.65 1k2m n PRO 582 N 4.52 0.34 -1.80 -1.68 -0.02 0.69 -2.27 135.00 134.78 1k2m n PRO 582 Ca -0.02 -0.03 -0.32 0.00 -2.02 0.00 0.00 63.50 61.11 1k2m n PRO 582 Cb 0.41 -2.15 0.03 0.00 -0.02 0.00 0.00 33.50 31.77 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 9.62 3.31 0.59 2.45 2.34 -1.06 -1.98 118.68 133.95 1k2m s LEU 583 Ca 1.23 1.71 0.29 0.00 0.06 0.00 0.00 54.13 57.41 1k2m s LEU 583 Cb -0.86 -4.51 1.38 0.00 -0.56 0.00 0.00 46.19 41.63 1k2m s LEU 583 CO 0.41 -1.31 1.77 -0.65 -1.06 0.00 0.00 176.35 175.51 1k2m h PRO 584 N -0.17 0.00 0.00 1.48 0.11 -1.89 0.67 132.00 132.20 1k2m h PRO 584 Ca -0.45 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 1k2m h PRO 584 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1k2m h PRO 584 CO 0.57 0.00 -0.08 0.22 -0.21 0.00 0.00 178.00 178.50 1k2m h ASP 585 N 0.00 0.00 -2.97 -2.05 3.58 -1.91 -3.42 116.42 109.66 1k2m h ASP 585 Ca 0.28 0.00 -0.54 0.00 0.42 0.00 0.00 57.03 57.19 1k2m h ASP 585 Cb 1.55 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.58 1k2m h ASP 585 CO -0.00 0.08 -0.29 -0.55 -2.88 0.00 0.00 179.24 175.60 1k2m s SER 586 N -6.59 6.41 0.23 2.28 0.15 0.23 -4.77 113.70 111.64 1k2m s SER 586 Ca -0.04 0.50 0.11 0.00 0.70 0.00 0.00 55.95 57.22 1k2m s SER 586 Cb 0.15 -2.05 0.62 0.00 -1.71 0.00 0.00 66.02 63.03 1k2m s SER 586 CO 0.62 -0.06 1.27 2.30 1.20 0.00 0.00 173.24 178.57 1k2m n ILE 587 N -0.62 0.99 -4.31 6.45 -5.35 -0.29 -4.39 119.36 111.84 1k2m n ILE 587 Ca -0.04 0.67 -0.34 0.00 -0.27 0.00 0.00 62.75 62.77 1k2m n ILE 587 Cb 0.54 -1.67 -0.12 0.00 -1.74 0.00 0.00 39.64 36.64 1k2m n ILE 587 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1k2m s ILE 588 N -3.21 3.93 -0.66 7.28 1.01 -1.26 -5.02 121.20 123.27 1k2m s ILE 588 Ca -0.01 -0.34 0.03 0.00 0.00 0.00 0.00 60.65 60.33 1k2m s ILE 588 Cb 0.03 -2.74 0.36 0.00 0.01 0.00 0.00 42.46 40.12 1k2m s ILE 588 CO 0.10 0.48 1.28 0.00 0.00 0.00 0.00 174.94 176.80 1k2m n GLN 589 N 3.69 3.67 -4.55 2.79 3.00 -1.24 -3.59 117.38 121.14 1k2m n GLN 589 Ca -0.17 -4.60 -0.26 0.00 -0.01 0.00 0.00 57.00 51.97 1k2m n GLN 589 Cb 0.52 -2.29 -0.10 0.00 0.00 0.00 0.00 30.24 28.37 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 -3.73 1.85 -0.08 -1.09 8.01 -0.84 -4.99 118.70 117.85 1k2m s GLU 590 Ca 0.47 -2.07 0.02 0.00 0.01 0.00 0.00 54.97 53.40 1k2m s GLU 590 Cb 0.31 -1.18 0.01 0.00 -4.31 0.00 0.00 34.13 28.97 1k2m s GLU 590 CO -0.18 -0.20 -0.13 -1.54 0.01 0.00 0.00 175.26 173.22 1k2m s SER 591 N -3.62 2.00 -0.06 -0.19 1.04 -1.26 -0.22 113.70 111.39 1k2m s SER 591 Ca 0.31 -0.34 0.02 0.00 0.48 0.00 0.00 55.95 56.42 1k2m s SER 591 Cb 0.08 -0.91 -0.03 0.00 0.10 0.00 0.00 66.02 65.26 1k2m s SER 591 CO 0.15 0.03 -0.10 -0.76 0.98 0.00 0.00 173.24 173.54 1k2m s LEU 592 N 0.76 2.98 -0.21 2.42 1.43 0.66 -4.93 118.68 121.79 1k2m s LEU 592 Ca -0.12 -0.10 0.01 0.00 -1.03 0.00 0.00 54.13 52.89 1k2m s LEU 592 Cb -0.16 -1.63 0.05 0.00 0.03 0.00 0.00 46.19 44.48 1k2m s LEU 592 CO 0.03 0.35 -0.10 -1.61 0.23 0.00 0.00 176.35 175.25 1k2m s GLU 593 N -0.77 2.00 -0.48 1.70 2.02 -1.26 0.18 118.70 122.08 1k2m s GLU 593 Ca 0.12 -0.89 -0.29 0.00 0.02 0.00 0.00 54.97 53.93 1k2m s GLU 593 Cb -0.11 -2.47 0.02 0.00 0.10 0.00 0.00 34.13 31.68 1k2m s GLU 593 CO 0.01 -0.46 1.22 0.42 0.02 0.00 0.00 175.26 176.48 1k2m s ILE 594 N 1.38 4.09 -0.14 -1.63 1.01 0.41 -4.97 121.20 121.35 1k2m s ILE 594 Ca -0.02 1.08 -0.29 0.00 0.00 0.00 0.00 60.65 61.42 1k2m s ILE 594 Cb -0.17 -4.53 -0.05 0.00 0.01 0.00 0.00 42.46 37.73 1k2m s ILE 594 CO -0.08 -1.01 1.79 -1.10 0.00 0.00 0.00 174.94 174.54 1k2m s GLN 595 N 4.69 3.83 0.50 2.79 1.11 -1.26 -1.97 119.66 129.35 1k2m s GLN 595 Ca 0.51 2.01 0.36 0.00 0.01 0.00 0.00 55.36 58.24 1k2m s GLN 595 Cb -0.09 -4.11 1.50 0.00 -1.01 0.00 0.00 33.01 29.30 1k2m s GLN 595 CO 0.31 -1.28 1.70 -0.56 0.01 0.00 0.00 175.29 175.48 1k2m h GLN 596 N 11.18 0.08 0.00 2.91 3.07 -0.83 1.37 115.11 132.89 1k2m h GLN 596 Ca -0.39 -0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.35 1k2m h GLN 596 Cb 1.19 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 28.73 1k2m h GLN 596 CO 0.97 0.05 0.00 0.78 0.09 0.00 0.00 178.83 180.73 1k2m h GLY 597 N 0.08 0.00 -7.81 0.06 0.00 -1.88 -3.42 103.07 90.11 1k2m h GLY 597 Ca 0.72 0.00 -0.65 0.00 0.00 0.00 0.00 47.33 47.40 1k2m h GLY 597 CO -0.15 0.00 -0.52 0.14 0.00 0.00 0.00 176.54 176.01 1k2m s VAL 598 N -3.61 5.22 -0.04 4.60 1.01 0.47 -5.06 120.40 123.00 1k2m s VAL 598 Ca 0.02 0.03 -0.02 0.00 0.00 0.00 0.00 61.98 62.01 1k2m s VAL 598 Cb 0.09 -3.54 0.03 0.00 0.00 0.00 0.00 36.38 32.96 1k2m s VAL 598 CO 0.50 0.18 0.05 0.21 0.00 0.00 0.00 175.10 176.04 1k2m s ASN 599 N 1.74 0.95 0.43 3.32 2.47 -1.26 -4.01 114.94 118.57 1k2m s ASN 599 Ca 0.07 0.07 -0.03 0.00 0.42 0.00 0.00 52.86 53.39 1k2m s ASN 599 Cb -0.16 -0.14 -0.03 0.00 -1.45 0.00 0.00 41.25 39.47 1k2m s ASN 599 CO 0.10 -0.22 0.69 -2.16 -3.72 0.00 0.00 177.10 171.78 1k2m s PRO 600 N 1.95 3.49 -0.33 0.43 0.04 -1.26 -5.04 135.00 134.28 1k2m s PRO 600 Ca 0.02 -0.05 -0.19 0.00 0.04 0.00 0.00 61.00 60.82 1k2m s PRO 600 Cb -0.12 -2.50 -0.01 0.00 0.04 0.00 0.00 34.50 31.91 1k2m s PRO 600 CO -0.03 -0.07 0.58 0.12 0.04 0.00 0.00 177.00 177.64 1k2m s PHE 601 N -2.56 3.19 -0.00 0.56 5.36 0.31 -4.89 117.98 119.95 1k2m s PHE 601 Ca 0.44 0.42 -0.17 0.00 -0.96 0.00 0.00 56.93 56.66 1k2m s PHE 601 Cb -0.10 -2.98 -0.06 0.00 -0.34 0.00 0.00 43.02 39.55 1k2m s PHE 601 CO 0.41 -0.51 0.47 -0.06 -1.46 0.00 0.00 175.22 174.07 1k2m s PHE 602 N 2.54 3.71 0.03 10.12 0.08 -1.26 0.12 117.98 133.32 1k2m s PHE 602 Ca 0.23 1.05 0.05 0.00 0.12 0.00 0.00 56.93 58.38 1k2m s PHE 602 Cb -0.15 -2.40 -0.02 0.00 -0.57 0.00 0.00 43.02 39.88 1k2m s PHE 602 CO 0.13 0.54 -0.14 0.42 -0.10 0.00 0.00 175.22 176.06 1k2m s ILE 603 N -0.75 1.12 -4.66 0.64 1.09 0.29 0.18 121.20 119.11 1k2m s ILE 603 Ca 0.26 -0.95 0.00 0.00 -1.10 0.00 0.00 60.65 58.85 1k2m s ILE 603 Cb -0.17 -1.00 0.00 0.00 -1.06 0.00 0.00 42.46 40.22 1k2m s ILE 603 CO 0.14 0.05 0.00 0.61 -0.10 0.00 0.00 174.94 175.64 1k2m n GLY 604 N 2.00 -1.30 0.18 6.18 0.00 -1.14 -1.48 105.19 109.62 1k2m n GLY 604 Ca -0.17 -1.19 0.11 0.00 0.00 0.00 0.00 46.02 44.76 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 0.00 1.24 -3.75 1.61 0.63 -0.25 -0.48 116.66 115.65 1k2m n ARG 605 Ca 0.00 -0.35 -0.36 0.00 -0.92 0.00 0.00 57.85 56.22 1k2m n ARG 605 Cb 0.00 -1.36 -0.10 0.00 0.45 0.00 0.00 32.46 31.46 1k2m n ARG 605 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1k2m s SER 606 N -1.66 5.94 0.63 6.15 0.15 -0.82 -4.81 113.70 119.28 1k2m s SER 606 Ca 0.32 0.09 0.34 0.00 0.70 0.00 0.00 55.95 57.41 1k2m s SER 606 Cb 0.16 -2.06 1.91 0.00 -1.71 0.00 0.00 66.02 64.32 1k2m s SER 606 CO 0.26 0.10 2.16 -0.33 1.20 0.00 0.00 173.24 176.62 1k2m h GLU 607 N 7.29 0.00 0.00 5.44 5.08 -1.89 0.12 114.58 130.62 1k2m h GLU 607 Ca -0.38 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.95 1k2m h GLU 607 Cb 1.17 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 1k2m h GLU 607 CO 0.67 0.00 -0.11 0.22 -1.00 0.00 0.00 179.01 178.79 1k2m h ASP 608 N 0.00 0.00 -3.35 1.42 1.82 -1.92 -3.42 116.42 110.96 1k2m h ASP 608 Ca 0.03 0.00 -0.53 0.00 -0.39 0.00 0.00 57.03 56.15 1k2m h ASP 608 Cb 0.34 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.36 1k2m h ASP 608 CO -0.00 0.11 0.56 0.00 -1.61 0.00 0.00 179.24 178.30 1k2m h ASN 610 N 5.91 0.00 -3.99 0.00 2.35 -0.86 -3.38 115.58 115.63 1k2m h ASN 610 Ca -0.43 0.00 -0.69 0.00 -0.55 0.00 0.00 56.30 54.63 1k2m h ASN 610 Cb 1.21 0.00 -0.22 0.00 0.05 0.00 0.00 38.32 39.36 1k2m h ASN 610 CO 0.77 0.00 -0.78 0.00 -1.65 0.00 0.00 177.43 175.78 1k2m s LYS 612 N -1.02 2.96 -0.18 0.00 2.36 -1.26 -2.90 119.74 119.70 1k2m s LYS 612 Ca 0.13 -0.86 -0.04 0.00 -2.55 0.00 0.00 55.97 52.64 1k2m s LYS 612 Cb -0.11 -2.70 0.06 0.00 -1.05 0.00 0.00 37.83 34.03 1k2m s LYS 612 CO 0.03 -0.26 0.07 0.42 1.55 0.00 0.00 175.35 177.16 1k2m s ILE 613 N 1.30 0.12 -0.58 5.43 -1.09 0.37 -4.94 121.20 121.81 1k2m s ILE 613 Ca 0.03 -0.30 -0.22 0.00 -2.23 0.00 0.00 60.65 57.93 1k2m s ILE 613 Cb -0.14 -0.73 0.06 0.00 -1.58 0.00 0.00 42.46 40.07 1k2m s ILE 613 CO -0.10 -0.26 0.84 -0.70 -1.23 0.00 0.00 174.94 173.49 1k2m s GLU 614 N 2.04 3.17 -0.17 2.79 2.12 -1.26 -2.49 118.70 124.90 1k2m s GLU 614 Ca 0.01 -0.75 -0.02 0.00 0.36 0.00 0.00 54.97 54.58 1k2m s GLU 614 Cb -0.16 -4.15 0.05 0.00 0.26 0.00 0.00 34.13 30.12 1k2m s GLU 614 CO -0.09 -1.54 0.00 -0.51 -0.54 0.00 0.00 175.26 172.58 1k2m s ASP 615 N 3.20 2.77 0.47 -1.70 1.11 -1.26 -5.01 116.67 116.24 1k2m s ASP 615 Ca 0.21 -0.70 0.33 0.00 0.18 0.00 0.00 52.55 52.58 1k2m s ASP 615 Cb -0.17 -0.70 1.46 0.00 1.07 0.00 0.00 42.92 44.57 1k2m s ASP 615 CO 0.13 -0.25 1.66 0.78 1.18 0.00 0.00 175.17 178.67 1k2m h ASN 616 N 8.20 0.19 0.13 0.27 -0.26 -2.02 0.82 115.58 122.91 1k2m h ASN 616 Ca -0.19 0.08 -0.29 0.00 -0.56 0.00 0.00 56.30 55.34 1k2m h ASN 616 Cb 1.11 0.07 0.03 0.00 -1.06 0.00 0.00 38.32 38.47 1k2m h ASN 616 CO 0.35 -0.09 -1.21 0.03 -1.06 0.00 0.00 177.43 175.45 1k2m h ARG 617 N 0.10 0.62 -7.26 0.81 2.47 -2.00 -3.46 114.38 105.67 1k2m h ARG 617 Ca 0.77 -0.81 -0.52 0.00 -1.26 0.00 0.00 59.98 58.16 1k2m h ARG 617 Cb 2.60 0.26 0.19 0.00 -1.65 0.00 0.00 29.97 31.37 1k2m h ARG 617 CO -0.27 1.36 0.25 -0.51 0.56 0.00 0.00 179.97 181.37 1k2m s LEU 618 N -7.88 2.92 0.37 3.04 1.02 0.28 -4.86 118.68 113.58 1k2m s LEU 618 Ca -0.09 2.20 0.08 0.00 0.02 0.00 0.00 54.13 56.34 1k2m s LEU 618 Cb 0.06 -4.57 -0.04 0.00 0.02 0.00 0.00 46.19 41.66 1k2m s LEU 618 CO 0.93 -2.94 0.22 -0.44 0.02 0.00 0.00 176.35 174.14 1k2m s SER 619 N -2.62 4.79 0.18 2.29 0.01 -1.26 -4.78 113.70 112.31 1k2m s SER 619 Ca 0.68 -0.79 -0.23 0.00 1.31 0.00 0.00 55.95 56.91 1k2m s SER 619 Cb -0.23 -0.67 0.09 0.00 0.21 0.00 0.00 66.02 65.41 1k2m s SER 619 CO 0.56 -0.44 1.57 0.08 0.41 0.00 0.00 173.24 175.43 1k2m h ARG 620 N 1.36 -0.17 -2.15 12.44 0.11 -1.93 -0.38 114.38 123.67 1k2m h ARG 620 Ca -0.43 0.01 -0.67 0.00 0.10 0.00 0.00 59.98 58.99 1k2m h ARG 620 Cb 1.26 0.04 -0.36 0.00 1.11 0.00 0.00 29.97 32.01 1k2m h ARG 620 CO 0.63 -0.11 -0.03 0.28 0.10 0.00 0.00 179.97 180.83 1k2m n VAL 621 N -5.42 3.91 -0.28 0.08 0.31 -1.26 -1.94 118.33 113.73 1k2m n VAL 621 Ca 0.03 -5.52 0.10 0.00 -0.01 0.00 0.00 64.34 58.94 1k2m n VAL 621 Cb 0.35 -1.41 0.23 0.00 -0.91 0.00 0.00 33.84 32.10 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 3.28 0.15 -2.02 3.52 2.76 -0.87 -3.38 115.15 118.59 1k2m h HIS 622 Ca 0.31 0.05 0.09 0.00 -2.20 0.00 0.00 60.37 58.62 1k2m h HIS 622 Cb 0.47 0.07 -0.18 0.00 1.55 0.00 0.00 27.41 29.31 1k2m h HIS 622 CO 1.01 -0.24 0.48 0.00 -1.30 0.00 0.00 177.93 177.89 1k2m s PHE 624 N -2.30 0.06 -0.11 0.00 -0.12 0.36 0.11 117.98 115.98 1k2m s PHE 624 Ca 0.01 -0.14 -0.05 0.00 -0.05 0.00 0.00 56.93 56.71 1k2m s PHE 624 Cb -0.01 -0.06 -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 0.42 -0.05 0.00 0.00 175.22 175.42 1k2m s ILE 625 N -1.11 5.05 -0.04 -4.49 1.01 0.32 0.17 121.20 122.10 1k2m s ILE 625 Ca -0.12 0.03 0.02 0.00 0.00 0.00 0.00 60.65 60.59 1k2m s ILE 625 Cb -0.07 -3.18 0.01 0.00 0.01 0.00 0.00 42.46 39.23 1k2m s ILE 625 CO 0.01 0.61 -0.09 0.12 0.00 0.00 0.00 174.94 175.58 1k2m s PHE 626 N -0.95 1.07 -0.12 3.97 5.36 0.50 0.11 117.98 127.93 1k2m s PHE 626 Ca 0.14 -0.31 -0.11 0.00 -0.96 0.00 0.00 56.93 55.70 1k2m s PHE 626 Cb -0.12 -0.79 -0.05 0.00 -0.34 0.00 0.00 43.02 41.73 1k2m s PHE 626 CO 0.03 -0.15 0.24 0.21 -1.46 0.00 0.00 175.22 174.08 1k2m s LYS 627 N 0.39 3.86 0.10 10.12 2.20 -1.26 0.15 119.74 135.30 1k2m s LYS 627 Ca -0.07 0.03 0.02 0.00 -0.36 0.00 0.00 55.97 55.59 1k2m s LYS 627 Cb -0.11 -3.29 -0.04 0.00 -1.51 0.00 0.00 37.83 32.88 1k2m s LYS 627 CO 0.01 0.56 -0.07 0.21 -0.36 0.00 0.00 175.35 175.70 1k2m s LYS 628 N -0.47 0.83 0.26 4.03 2.36 0.22 -4.93 119.74 122.04 1k2m s LYS 628 Ca 0.16 -1.31 -0.30 0.00 -2.55 0.00 0.00 55.97 51.97 1k2m s LYS 628 Cb -0.13 -0.22 -0.09 0.00 -1.05 0.00 0.00 37.83 36.33 1k2m s LYS 628 CO 0.05 -0.01 1.05 0.50 1.55 0.00 0.00 175.35 178.49 1k2m s ARG 629 N -3.73 4.70 0.26 4.03 6.06 -1.26 0.19 118.95 129.20 1k2m s ARG 629 Ca 0.11 1.71 -0.31 0.00 -2.50 0.00 0.00 55.73 54.74 1k2m s ARG 629 Cb 0.05 -3.22 -0.12 0.00 0.06 0.00 0.00 34.95 31.71 1k2m s ARG 629 CO -0.04 0.29 1.65 -1.58 -2.50 0.00 0.00 175.30 173.12 1k2m s HIS 630 N -1.08 2.79 -1.03 5.12 5.65 0.44 -4.77 115.29 122.40 1k2m s HIS 630 Ca 0.44 0.60 -0.05 0.00 0.25 0.00 0.00 55.06 56.29 1k2m s HIS 630 Cb -0.30 -4.11 0.07 0.00 -1.18 0.00 0.00 32.58 27.06 1k2m s HIS 630 CO 0.38 -3.94 2.59 0.00 -0.65 0.00 0.00 174.74 173.12 1k2m n ALA 631 N 2.86 6.74 -2.68 1.58 0.00 -1.26 -4.53 120.51 123.22 1k2m n ALA 631 Ca 0.11 -3.65 -0.41 0.00 0.00 0.00 0.00 53.44 49.49 1k2m n ALA 631 Cb 0.36 -2.61 -0.04 0.00 0.00 0.00 0.00 19.45 17.16 1k2m n ALA 631 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1k2m s VAL 632 N -1.18 4.92 0.00 0.00 -7.23 -1.26 -5.05 120.40 110.60 1k2m s VAL 632 Ca 0.57 1.59 0.00 0.00 -1.81 0.00 0.00 61.98 62.33 1k2m s VAL 632 Cb 0.25 -4.12 0.00 0.00 0.56 0.00 0.00 36.38 33.07 1k2m s VAL 632 CO -0.13 0.08 0.00 0.61 -0.31 0.00 0.00 175.10 175.35 1k2m n GLY 633 N 3.39 1.03 3.83 2.32 0.00 -1.26 -4.82 105.19 109.68 1k2m n GLY 633 Ca 0.03 -1.50 -0.32 0.00 0.00 0.00 0.00 46.02 44.24 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 0.55 3.40 0.27 1.61 1.02 -1.26 -5.02 119.74 120.31 1k2m s LYS 634 Ca 0.00 0.99 0.04 0.00 0.02 0.00 0.00 55.97 57.02 1k2m s LYS 634 Cb 0.00 -2.05 -0.06 0.00 -0.52 0.00 0.00 37.83 35.20 1k2m s LYS 634 CO 0.00 -0.73 0.02 0.45 -0.92 0.00 0.00 175.35 174.17 1k2m s SER 635 N -3.41 2.05 -0.22 2.83 0.15 -1.26 -5.11 113.70 108.73 1k2m s SER 635 Ca 0.59 -1.28 0.01 0.00 0.70 0.00 0.00 55.95 55.98 1k2m s SER 635 Cb -0.13 -0.03 0.05 0.00 -1.71 0.00 0.00 66.02 64.20 1k2m s SER 635 CO 0.44 -0.54 -0.09 0.00 1.20 0.00 0.00 173.24 174.25 1k2m s MET 636 N -3.87 1.99 0.00 5.44 0.23 -1.26 -4.91 119.30 116.92 1k2m s MET 636 Ca 0.32 -0.96 0.00 0.00 -1.03 0.00 0.00 55.69 54.02 1k2m s MET 636 Cb 0.06 -2.54 0.00 0.00 -1.53 0.00 0.00 34.83 30.83 1k2m s MET 636 CO 0.12 -0.48 0.00 0.66 -2.03 0.00 0.00 175.02 173.28 1k2m n TYR 637 N 4.64 0.00 -3.64 3.16 4.02 -1.26 -4.66 117.16 119.42 1k2m n TYR 637 Ca -0.14 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.37 1k2m n TYR 637 Cb 0.45 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.66 1k2m n TYR 637 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 1k2m s GLU 638 N 0.00 3.71 -0.77 -0.72 0.41 -1.26 -5.04 118.70 115.03 1k2m s GLU 638 Ca 0.00 -0.47 -0.06 0.00 -0.41 0.00 0.00 54.97 54.03 1k2m s GLU 638 Cb 0.00 -3.57 0.20 0.00 -1.78 0.00 0.00 34.13 28.98 1k2m s GLU 638 CO 0.00 -0.25 0.64 -1.12 -0.49 0.00 0.00 175.26 174.04 1k2m s SER 639 N 1.69 5.94 0.81 -0.19 0.01 -1.26 -4.90 113.70 115.79 1k2m s SER 639 Ca 0.06 -3.04 -0.12 0.00 1.31 0.00 0.00 55.95 54.17 1k2m s SER 639 Cb -0.16 -1.99 0.08 0.00 0.21 0.00 0.00 66.02 64.16 1k2m s SER 639 CO 0.08 -0.38 1.13 -2.16 0.41 0.00 0.00 173.24 172.31 1k2m s PRO 640 N -0.34 2.01 0.00 12.44 0.04 -1.26 -4.22 135.00 143.66 1k2m s PRO 640 Ca 0.20 0.39 0.00 0.00 0.04 0.00 0.00 61.00 61.63 1k2m s PRO 640 Cb -0.14 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1k2m s PRO 640 CO -0.07 -1.62 0.00 0.00 0.04 0.00 0.00 177.00 175.35 1k2m n ALA 641 N -3.39 0.00 -1.17 8.56 0.00 -1.26 -4.90 120.51 118.36 1k2m n ALA 641 Ca 0.07 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.66 1k2m n ALA 641 Cb 0.58 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.98 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 -2.53 -1.76 0.00 1.13 -1.26 -4.24 117.38 108.73 1k2m n GLN 642 Ca 0.00 1.89 -0.41 0.00 -1.94 0.00 0.00 57.00 56.54 1k2m n GLN 642 Cb 0.00 -3.02 -0.02 0.00 0.11 0.00 0.00 30.24 27.31 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 -3.96 3.25 0.00 1.08 0.00 -1.26 -4.68 105.19 99.62 1k2m n GLY 643 Ca -0.03 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.60 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 7.70 0.00 -4.32 0.99 4.77 -1.26 -4.77 117.00 120.11 1k2m n LEU 644 Ca 0.50 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 56.21 1k2m n LEU 644 Cb 0.41 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.37 1k2m n LEU 644 CO 0.89 0.00 -0.55 -1.81 -1.33 0.00 0.00 177.39 174.60 1k2m s ASP 645 N -0.72 2.89 0.12 -1.43 1.11 -1.25 0.17 116.67 117.55 1k2m s ASP 645 Ca 0.00 -0.64 0.05 0.00 0.18 0.00 0.00 52.55 52.14 1k2m s ASP 645 Cb 0.00 -0.21 -0.04 0.00 1.07 0.00 0.00 42.92 43.74 1k2m s ASP 645 CO 0.00 0.16 -0.13 -1.81 1.18 0.00 0.00 175.17 174.57 1k2m s ASP 646 N -1.62 1.89 -0.18 0.27 1.01 0.51 -4.03 116.67 114.52 1k2m s ASP 646 Ca 0.10 -0.80 -0.06 0.00 0.71 0.00 0.00 52.55 52.49 1k2m s ASP 646 Cb -0.10 -0.05 -0.04 0.00 1.01 0.00 0.00 42.92 43.74 1k2m s ASP 646 CO 0.04 -0.16 0.04 0.27 0.21 0.00 0.00 175.17 175.56 1k2m s ILE 647 N -2.16 4.50 -0.05 0.77 -4.36 -1.26 0.72 121.20 119.36 1k2m s ILE 647 Ca 0.08 -0.14 0.02 0.00 -0.26 0.00 0.00 60.65 60.35 1k2m s ILE 647 Cb -0.05 -3.02 -0.03 0.00 1.25 0.00 0.00 42.46 40.61 1k2m s ILE 647 CO 0.02 0.45 -0.09 0.26 0.24 0.00 0.00 174.94 175.83 1k2m s TRP 648 N 0.52 2.85 -0.29 1.37 0.52 0.40 -0.26 118.94 124.05 1k2m s TRP 648 Ca 0.01 -0.05 -0.09 0.00 0.02 0.00 0.00 56.10 56.00 1k2m s TRP 648 Cb -0.13 -1.66 -0.02 0.00 -1.15 0.00 0.00 33.47 30.51 1k2m s TRP 648 CO 0.01 0.29 0.13 -0.47 0.02 0.00 0.00 176.95 176.94 1k2m s TYR 649 N -0.82 3.15 -0.20 -1.98 5.04 0.18 0.19 117.35 122.91 1k2m s TYR 649 Ca 0.13 -0.48 -0.07 0.00 -2.44 0.00 0.00 57.07 54.21 1k2m s TYR 649 Cb -0.11 -2.32 -0.03 0.00 0.35 0.00 0.00 41.96 39.85 1k2m s TYR 649 CO 0.02 -0.41 0.05 0.00 -1.34 0.00 0.00 175.55 173.87 1k2m s HIS 651 N 0.84 3.15 -0.44 0.00 2.46 -0.66 0.14 115.29 120.77 1k2m s HIS 651 Ca 0.03 -0.18 0.04 0.00 0.47 0.00 0.00 55.06 55.42 1k2m s HIS 651 Cb -0.14 -2.22 0.08 0.00 -0.13 0.00 0.00 32.58 30.17 1k2m s HIS 651 CO 0.02 -0.18 0.88 0.25 -2.47 0.00 0.00 174.74 173.24 1k2m n THR 652 N 4.56 0.52 -3.16 0.89 -2.24 0.19 0.15 114.28 115.19 1k2m n THR 652 Ca -0.16 -0.76 -0.35 0.00 -2.27 0.00 0.00 64.05 60.51 1k2m n THR 652 Cb 0.52 0.78 -0.06 0.00 -2.10 0.00 0.00 70.33 69.47 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 -0.69 2.51 0.00 3.38 0.00 0.64 -4.79 107.32 108.36 1k2m s GLY 653 Ca 0.07 0.07 0.31 0.00 0.00 0.00 0.00 44.72 45.17 1k2m s GLY 653 CO 0.06 0.37 2.16 2.41 0.00 0.00 0.00 173.10 178.10 1k2m n THR 654 N 0.43 0.00 1.63 0.90 -1.04 -1.26 -3.17 114.28 111.77 1k2m n THR 654 Ca -0.01 0.00 0.14 0.00 -2.04 0.00 0.00 64.05 62.14 1k2m n THR 654 Cb 0.52 -0.51 0.63 0.00 -1.82 0.00 0.00 70.33 69.14 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 -1.06 1.08 -1.81 8.00 4.13 -1.26 -4.91 115.26 119.42 1k2m n ASN 655 Ca 0.22 -1.38 0.00 0.00 1.68 0.00 0.00 54.58 55.10 1k2m n ASN 655 Cb 0.13 -0.01 0.00 0.00 -1.54 0.00 0.00 39.78 38.37 1k2m n ASN 655 CO 0.00 0.00 0.00 0.55 0.28 0.00 0.00 177.26 178.09 1k2m n VAL 656 N -0.15 -5.24 -3.57 2.41 3.14 -1.19 -4.80 118.33 108.93 1k2m n VAL 656 Ca 0.20 1.88 -0.20 0.00 -2.96 0.00 0.00 64.34 63.26 1k2m n VAL 656 Cb 0.28 -2.68 -0.02 0.00 -1.06 0.00 0.00 33.84 30.37 1k2m n VAL 656 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1k2m s SER 657 N -1.26 5.67 -0.06 6.55 1.04 0.21 -4.58 113.70 121.26 1k2m s SER 657 Ca 0.00 -0.34 -0.02 0.00 0.48 0.00 0.00 55.95 56.08 1k2m s SER 657 Cb 0.00 -1.08 0.03 0.00 0.10 0.00 0.00 66.02 65.07 1k2m s SER 657 CO 0.00 -0.43 0.02 -0.31 0.98 0.00 0.00 173.24 173.50 1k2m s TYR 658 N -2.24 0.46 -0.48 5.02 2.02 0.41 0.14 117.35 122.68 1k2m s TYR 658 Ca 0.44 -0.03 -0.17 0.00 -0.37 0.00 0.00 57.07 56.94 1k2m s TYR 658 Cb -0.08 -0.69 0.06 0.00 -0.40 0.00 0.00 41.96 40.84 1k2m s TYR 658 CO 0.29 -0.28 0.49 -1.17 -1.57 0.00 0.00 175.55 173.31 1k2m s LEU 659 N 2.04 5.25 0.00 -1.29 0.20 0.42 0.21 118.68 125.50 1k2m s LEU 659 Ca 0.05 -1.06 0.00 0.00 0.69 0.00 0.00 54.13 53.81 1k2m s LEU 659 Cb -0.12 -2.31 0.00 0.00 -0.43 0.00 0.00 46.19 43.32 1k2m s LEU 659 CO -0.05 -0.73 0.00 0.59 -0.29 0.00 0.00 176.35 175.87 1k2m n ASN 660 N 5.64 0.00 0.00 3.68 4.13 -0.78 -0.57 115.26 127.36 1k2m n ASN 660 Ca -0.09 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.17 1k2m n ASN 660 Cb 0.45 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.69 1k2m n ASN 660 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1k2m n ASN 661 N 1.51 0.25 -4.84 6.41 5.15 -1.26 -5.05 115.26 117.42 1k2m n ASN 661 Ca 0.00 -0.66 -0.37 0.00 -0.60 0.00 0.00 54.58 52.94 1k2m n ASN 661 Cb 0.00 0.18 -0.06 0.00 -0.53 0.00 0.00 39.78 39.37 1k2m n ASN 661 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1k2m s ASN 662 N -0.18 6.53 0.17 1.20 -0.87 0.26 -5.08 114.94 116.97 1k2m s ASN 662 Ca 0.00 0.63 -0.23 0.00 -1.57 0.00 0.00 52.86 51.69 1k2m s ASN 662 Cb 0.00 -2.14 -0.08 0.00 -0.02 0.00 0.00 41.25 39.01 1k2m s ASN 662 CO 0.00 0.34 0.73 -0.60 -2.57 0.00 0.00 177.10 175.01 1k2m s ARG 663 N -0.85 4.42 -0.09 -0.60 3.52 -1.26 -0.44 118.95 123.65 1k2m s ARG 663 Ca 0.18 1.01 0.00 0.00 -0.13 0.00 0.00 55.73 56.79 1k2m s ARG 663 Cb -0.14 -3.13 0.02 0.00 -1.56 0.00 0.00 34.95 30.14 1k2m s ARG 663 CO 0.07 0.52 -0.08 -1.64 -0.81 0.00 0.00 175.30 173.36 1k2m s MET 664 N -1.41 1.44 0.34 5.12 -1.94 0.38 -4.78 119.30 118.45 1k2m s MET 664 Ca 0.37 -0.25 0.07 0.00 -1.71 0.00 0.00 55.69 54.17 1k2m s MET 664 Cb -0.21 -1.45 -0.02 0.00 2.01 0.00 0.00 34.83 35.17 1k2m s MET 664 CO 0.24 -0.19 0.37 0.96 -0.01 0.00 0.00 175.02 176.39 1k2m s ILE 665 N 1.44 3.77 -0.23 2.53 -4.36 -1.26 0.63 121.20 123.72 1k2m s ILE 665 Ca -0.00 -1.20 -0.37 0.00 -0.26 0.00 0.00 60.65 58.82 1k2m s ILE 665 Cb -0.13 -3.29 -0.13 0.00 1.25 0.00 0.00 42.46 40.16 1k2m s ILE 665 CO -0.05 -0.16 1.90 1.67 0.24 0.00 0.00 174.94 178.54 1k2m n GLN 666 N -1.50 1.49 -0.32 0.37 7.27 -1.24 -1.56 117.38 121.90 1k2m n GLN 666 Ca -0.01 0.52 0.00 0.00 0.07 0.00 0.00 57.00 57.58 1k2m n GLN 666 Cb 0.59 -2.38 0.00 0.00 2.41 0.00 0.00 30.24 30.86 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 4.84 1.71 3.67 1.69 0.00 0.39 -4.96 105.19 112.53 1k2m n GLY 667 Ca 0.29 -0.15 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 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 3.24 0.01 2.61 -4.23 -0.60 0.11 115.64 114.78 1k2m s THR 668 Ca 0.00 -1.84 0.02 0.00 -1.18 0.00 0.00 61.69 58.69 1k2m s THR 668 Cb 0.00 -2.89 -0.01 0.00 1.34 0.00 0.00 72.50 70.93 1k2m s THR 668 CO 0.00 -0.29 -0.06 -0.75 -0.54 0.00 0.00 174.62 172.98 1k2m s LYS 669 N -3.74 0.42 -0.05 3.99 2.20 0.40 -1.66 119.74 121.30 1k2m s LYS 669 Ca 0.34 -0.40 -0.10 0.00 -0.36 0.00 0.00 55.97 55.45 1k2m s LYS 669 Cb -0.04 -0.31 0.02 0.00 -1.51 0.00 0.00 37.83 35.98 1k2m s LYS 669 CO 0.21 0.07 0.25 0.12 -0.36 0.00 0.00 175.35 175.64 1k2m s PHE 670 N -0.63 -0.18 0.25 4.03 5.36 -0.55 0.11 117.98 126.38 1k2m s PHE 670 Ca -0.03 0.40 -0.30 0.00 -0.96 0.00 0.00 56.93 56.04 1k2m s PHE 670 Cb -0.05 0.06 -0.09 0.00 -0.34 0.00 0.00 43.02 42.60 1k2m s PHE 670 CO -0.00 -0.24 1.31 -1.17 -1.46 0.00 0.00 175.22 173.66 1k2m s LEU 671 N -0.58 4.43 -0.18 6.12 1.98 -1.26 0.50 118.68 129.69 1k2m s LEU 671 Ca -0.07 2.51 -0.05 0.00 -2.89 0.00 0.00 54.13 53.64 1k2m s LEU 671 Cb -0.04 -3.63 -0.03 0.00 0.66 0.00 0.00 46.19 43.16 1k2m s LEU 671 CO 0.02 -0.52 -0.01 -0.76 -1.89 0.00 0.00 176.35 173.19 1k2m s LEU 672 N -0.79 3.32 0.29 -0.68 1.43 0.64 -4.86 118.68 118.04 1k2m s LEU 672 Ca 0.53 -0.13 0.11 0.00 -1.03 0.00 0.00 54.13 53.61 1k2m s LEU 672 Cb -0.38 -1.82 -0.05 0.00 0.03 0.00 0.00 46.19 43.97 1k2m s LEU 672 CO 0.44 0.13 -0.12 -1.10 0.23 0.00 0.00 176.35 175.93 1k2m s GLN 673 N 0.61 1.87 -0.41 1.70 -0.21 -0.46 -4.16 119.66 118.60 1k2m s GLN 673 Ca -0.01 -1.72 -0.28 0.00 0.02 0.00 0.00 55.36 53.37 1k2m s GLN 673 Cb -0.14 -1.86 -0.07 0.00 1.00 0.00 0.00 33.01 31.94 1k2m s GLN 673 CO 0.02 0.29 2.35 -3.47 -2.12 0.00 0.00 175.29 172.36 1k2m n ASP 674 N -0.74 2.54 0.00 5.90 2.03 -1.26 -0.88 116.55 124.15 1k2m n ASP 674 Ca -0.05 -0.16 0.00 0.00 0.52 0.00 0.00 54.79 55.10 1k2m n ASP 674 Cb 0.61 -1.52 0.00 0.00 -0.72 0.00 0.00 41.12 39.48 1k2m n ASP 674 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1k2m n GLY 675 N 5.99 1.72 3.60 0.27 0.00 0.59 -4.89 105.19 112.47 1k2m n GLY 675 Ca 0.36 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.96 1k2m n GLY 675 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1k2m s ASP 676 N -2.00 6.61 -0.44 1.61 2.15 -0.06 -4.73 116.67 119.82 1k2m s ASP 676 Ca 0.00 0.51 -0.18 0.00 0.43 0.00 0.00 52.55 53.31 1k2m s ASP 676 Cb 0.00 -2.41 0.03 0.00 -0.30 0.00 0.00 42.92 40.24 1k2m s ASP 676 CO 0.00 -0.69 0.50 -1.61 -0.17 0.00 0.00 175.17 173.19 1k2m s GLU 677 N 3.08 3.12 -0.16 4.34 2.02 -1.26 0.10 118.70 129.93 1k2m s GLU 677 Ca 0.32 -0.77 -0.06 0.00 0.02 0.00 0.00 54.97 54.49 1k2m s GLU 677 Cb -0.13 -4.00 -0.04 0.00 0.10 0.00 0.00 34.13 30.06 1k2m s GLU 677 CO 0.15 -0.95 0.03 0.42 0.02 0.00 0.00 175.26 174.94 1k2m s ILE 678 N 2.28 4.56 -0.34 -1.63 1.01 -0.37 -1.87 121.20 124.85 1k2m s ILE 678 Ca 0.13 -0.12 -0.18 0.00 0.00 0.00 0.00 60.65 60.48 1k2m s ILE 678 Cb -0.17 -3.02 -0.01 0.00 0.01 0.00 0.00 42.46 39.27 1k2m s ILE 678 CO 0.14 0.49 0.52 -0.54 0.00 0.00 0.00 174.94 175.55 1k2m s LYS 679 N 0.15 3.68 -0.05 2.79 -0.14 0.56 -1.34 119.74 125.39 1k2m s LYS 679 Ca 0.03 -0.09 -0.06 0.00 -1.36 0.00 0.00 55.97 54.50 1k2m s LYS 679 Cb -0.13 -3.79 -0.28 0.00 -1.68 0.00 0.00 37.83 31.95 1k2m s LYS 679 CO 0.01 -0.61 0.67 0.82 -0.76 0.00 0.00 175.35 175.48 1k2m h ILE 680 N 5.59 0.93 -2.36 2.17 2.04 -1.82 1.18 117.51 125.25 1k2m h ILE 680 Ca -0.28 -2.58 -0.06 0.00 1.00 0.00 0.00 64.86 62.94 1k2m h ILE 680 Cb 1.13 2.69 -0.24 0.00 -0.74 0.00 0.00 36.82 39.65 1k2m h ILE 680 CO 0.77 0.83 -0.15 -0.63 0.00 0.00 0.00 178.15 178.97 1k2m s ILE 681 N -2.59 -0.01 -0.04 -0.67 1.01 -1.26 -4.19 121.20 113.45 1k2m s ILE 681 Ca -0.14 0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.55 1k2m s ILE 681 Cb 0.06 -0.79 0.03 0.00 0.01 0.00 0.00 42.46 41.77 1k2m s ILE 681 CO 0.83 0.02 -0.00 0.86 0.00 0.00 0.00 174.94 176.65 1k2m s TRP 682 N 1.40 0.45 -0.17 3.97 -0.00 -1.26 0.14 118.94 123.48 1k2m s TRP 682 Ca -0.09 -0.06 0.00 0.00 -0.00 0.00 0.00 56.10 55.96 1k2m s TRP 682 Cb -0.07 -0.54 0.04 0.00 -0.00 0.00 0.00 33.47 32.90 1k2m s TRP 682 CO -0.15 -0.19 -0.09 0.34 -0.00 0.00 0.00 176.95 176.87 1k2m s ASP 683 N 1.27 2.94 0.06 5.86 2.15 -0.97 -5.02 116.67 122.96 1k2m s ASP 683 Ca -0.06 -0.67 -0.19 0.00 0.43 0.00 0.00 52.55 52.06 1k2m s ASP 683 Cb -0.13 -1.08 -0.11 0.00 -0.30 0.00 0.00 42.92 41.29 1k2m s ASP 683 CO -0.02 -0.13 1.44 0.11 -0.17 0.00 0.00 175.17 176.39 1k2m h LYS 684 N 8.06 0.39 -0.98 4.34 1.57 -1.93 0.99 116.57 129.00 1k2m h LYS 684 Ca -0.29 -0.16 0.04 0.00 -1.87 0.00 0.00 60.65 58.37 1k2m h LYS 684 Cb 1.11 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 33.35 1k2m h LYS 684 CO 0.46 0.66 0.64 -0.91 -0.57 0.00 0.00 179.45 179.73 1k2m h ASN 685 N 0.10 1.07 0.37 0.86 4.21 -1.99 -2.84 115.58 117.36 1k2m h ASN 685 Ca 0.05 -0.01 -0.01 0.00 1.21 0.00 0.00 56.30 57.54 1k2m h ASN 685 Cb 0.53 -0.24 -0.00 0.00 -1.12 0.00 0.00 38.32 37.49 1k2m h ASN 685 CO 0.02 0.73 -1.63 0.59 -1.29 0.00 0.00 177.43 175.84 1k2m n ASN 686 N -4.46 0.32 0.00 5.81 4.13 -1.21 -4.96 115.26 114.89 1k2m n ASN 686 Ca 0.13 0.13 0.00 0.00 1.68 0.00 0.00 54.58 56.52 1k2m n ASN 686 Cb 0.10 1.39 0.00 0.00 -1.54 0.00 0.00 39.78 39.73 1k2m n ASN 686 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 1k2m n LYS 687 N -2.43 -0.15 -2.41 3.52 3.00 0.34 -4.94 118.16 115.09 1k2m n LYS 687 Ca -0.03 0.04 -0.42 0.00 -0.00 0.00 0.00 58.31 57.90 1k2m n LYS 687 Cb 0.58 -3.39 -0.03 0.00 0.00 0.00 0.00 35.03 32.19 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 -2.58 2.32 -0.08 5.64 -0.12 -1.16 -4.85 117.98 117.14 1k2m s PHE 688 Ca 0.00 0.47 0.00 0.00 -0.05 0.00 0.00 56.93 57.35 1k2m s PHE 688 Cb 0.00 -4.40 -0.03 0.00 -0.63 0.00 0.00 43.02 37.96 1k2m s PHE 688 CO 0.00 -1.94 -0.07 0.54 -0.05 0.00 0.00 175.22 173.70 1k2m s VAL 689 N 5.91 3.64 0.03 -2.49 0.11 -1.26 -2.30 120.40 124.04 1k2m s VAL 689 Ca 0.52 -0.49 0.05 0.00 -2.93 0.00 0.00 61.98 59.12 1k2m s VAL 689 Cb -0.10 -2.50 -0.03 0.00 -1.53 0.00 0.00 36.38 32.21 1k2m s VAL 689 CO 0.25 0.58 -0.10 -0.63 -3.33 0.00 0.00 175.10 171.87 1k2m s ILE 690 N -0.58 3.37 -0.30 7.04 -1.09 0.38 -1.14 121.20 128.89 1k2m s ILE 690 Ca 0.09 -0.96 -0.16 0.00 -2.23 0.00 0.00 60.65 57.38 1k2m s ILE 690 Cb -0.12 -2.47 0.19 0.00 -1.58 0.00 0.00 42.46 38.49 1k2m s ILE 690 CO 0.02 0.33 1.20 -0.83 -1.23 0.00 0.00 174.94 174.43 1k2m s GLY 691 N -1.55 0.45 0.08 6.18 0.00 -1.26 -3.38 107.32 107.84 1k2m s GLY 691 Ca 0.17 3.66 0.07 0.00 0.00 0.00 0.00 44.72 48.62 1k2m s GLY 691 CO 0.08 2.82 -0.11 -1.36 0.00 0.00 0.00 173.10 174.53 1k2m s PHE 692 N 1.26 2.73 -0.31 1.90 0.08 -0.45 -2.58 117.98 120.61 1k2m s PHE 692 Ca -0.07 -0.16 -0.11 0.00 0.12 0.00 0.00 56.93 56.71 1k2m s PHE 692 Cb -0.02 -1.46 -0.02 0.00 -0.57 0.00 0.00 43.02 40.94 1k2m s PHE 692 CO -0.12 0.39 0.19 0.21 -0.10 0.00 0.00 175.22 175.79 1k2m s LYS 693 N -1.97 3.59 -0.10 0.44 2.20 -0.96 -1.23 119.74 121.70 1k2m s LYS 693 Ca 0.20 -0.57 -0.28 0.00 -0.36 0.00 0.00 55.97 54.96 1k2m s LYS 693 Cb -0.11 -3.67 -0.02 0.00 -1.51 0.00 0.00 37.83 32.53 1k2m s LYS 693 CO 0.11 -0.35 0.93 0.08 -0.36 0.00 0.00 175.35 175.77 1k2m s VAL 694 N 1.70 4.84 -0.21 4.02 1.01 0.28 -0.21 120.40 131.83 1k2m s VAL 694 Ca 0.06 1.89 -0.02 0.00 0.00 0.00 0.00 61.98 63.91 1k2m s VAL 694 Cb -0.17 -4.25 0.07 0.00 0.00 0.00 0.00 36.38 32.03 1k2m s VAL 694 CO 0.09 0.06 0.04 -0.70 0.00 0.00 0.00 175.10 174.59 1k2m s GLU 695 N 1.78 0.70 -0.53 2.72 2.12 0.42 0.22 118.70 126.13 1k2m s GLU 695 Ca 0.45 -0.52 -0.28 0.00 0.36 0.00 0.00 54.97 54.98 1k2m s GLU 695 Cb -0.18 -2.10 0.00 0.00 0.26 0.00 0.00 34.13 32.11 1k2m s GLU 695 CO 0.18 -0.69 1.54 0.42 -0.54 0.00 0.00 175.26 176.18 1k2m s ILE 696 N 1.82 3.68 -0.16 -3.70 1.01 -1.26 -0.10 121.20 122.49 1k2m s ILE 696 Ca 0.00 0.58 -0.20 0.00 0.00 0.00 0.00 60.65 61.02 1k2m s ILE 696 Cb -0.17 -4.23 -0.23 0.00 0.01 0.00 0.00 42.46 37.83 1k2m s ILE 696 CO -0.10 -1.00 0.43 0.78 0.00 0.00 0.00 174.94 175.04 1k2m h ASN 697 N 11.95 0.13 -3.73 3.58 2.35 -1.28 -3.47 115.58 125.12 1k2m h ASN 697 Ca -0.28 -0.72 -0.69 0.00 -0.55 0.00 0.00 56.30 54.06 1k2m h ASN 697 Cb 1.11 -0.04 -0.20 0.00 0.05 0.00 0.00 38.32 39.24 1k2m h ASN 697 CO 1.16 1.46 -0.71 -0.62 -1.65 0.00 0.00 177.43 177.07 1k2m s ASP 698 N -6.80 4.54 -0.38 5.81 -1.08 -1.08 -5.01 116.67 112.67 1k2m s ASP 698 Ca -0.24 -0.05 -0.01 0.00 -0.52 0.00 0.00 52.55 51.73 1k2m s ASP 698 Cb 0.04 -1.11 0.10 0.00 -1.46 0.00 0.00 42.92 40.49 1k2m s ASP 698 CO 0.67 0.36 0.15 0.42 0.52 0.00 0.00 175.17 177.29 1k2m s THR 699 N -0.80 2.99 -0.75 1.71 -4.23 -1.26 -4.41 115.64 108.88 1k2m s THR 699 Ca 0.12 -2.10 -0.14 0.00 -1.18 0.00 0.00 61.69 58.39 1k2m s THR 699 Cb -0.11 -3.07 -0.11 0.00 1.34 0.00 0.00 72.50 70.55 1k2m s THR 699 CO 0.01 -0.63 1.93 1.07 -0.54 0.00 0.00 174.62 176.46 1k2m n THR 700 N 4.50 1.89 -3.44 3.99 5.66 -1.26 -4.22 114.28 121.39 1k2m n THR 700 Ca -0.01 -1.38 -0.20 0.00 -3.05 0.00 0.00 64.05 59.41 1k2m n THR 700 Cb 0.42 -2.18 0.06 0.00 -1.55 0.00 0.00 70.33 67.07 1k2m n THR 700 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1k2m n GLY 701 N 4.20 -0.89 3.90 1.09 0.00 -1.26 -4.75 105.19 107.47 1k2m n GLY 701 Ca 0.44 0.43 -0.32 0.00 0.00 0.00 0.00 46.02 46.57 1k2m n GLY 701 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k2m s LEU 702 N -5.97 4.28 0.58 0.99 1.43 -1.26 -3.80 118.68 114.94 1k2m s LEU 702 Ca 0.34 0.57 0.30 0.00 -1.03 0.00 0.00 54.13 54.31 1k2m s LEU 702 Cb -0.07 -3.23 1.44 0.00 0.03 0.00 0.00 46.19 44.36 1k2m s LEU 702 CO 0.78 0.08 1.84 2.19 0.23 0.00 0.00 176.35 181.47 1k2m h PHE 703 N 2.96 0.00 0.00 0.29 -0.00 -1.76 -3.39 116.94 115.04 1k2m h PHE 703 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.51 1k2m h PHE 703 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.12 1k2m h PHE 703 CO 0.62 0.00 0.00 -1.71 -0.00 0.00 0.00 178.31 177.22 1k2m n ASN 704 N -3.82 -0.72 0.00 -0.68 5.15 -1.26 -4.69 115.26 109.24 1k2m n ASN 704 Ca 0.13 0.16 0.00 0.00 -0.60 0.00 0.00 54.58 54.26 1k2m n ASN 704 Cb 0.84 1.08 0.00 0.00 -0.53 0.00 0.00 39.78 41.18 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 -2.66 0.00 0.00 1.20 0.28 -1.26 -4.97 120.64 113.23 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 0.00 0.52 -1.84 0.00 -1.26 -4.57 105.19 98.04 1k2m n GLY 706 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 1k2m n GLY 706 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1k2m n LEU 707 N 0.00 1.54 0.00 0.99 7.99 -1.26 -1.36 117.00 124.90 1k2m n LEU 707 Ca 0.00 -0.71 0.00 0.00 -0.01 0.00 0.00 56.01 55.29 1k2m n LEU 707 Cb 0.00 -0.15 0.00 0.00 -0.11 0.00 0.00 43.42 43.16 1k2m n LEU 707 CO 0.00 0.36 0.00 0.61 -1.51 0.00 0.00 177.39 176.85 1k2m n GLY 708 N 1.04 0.53 3.91 -0.72 0.00 -1.26 -4.70 105.19 103.98 1k2m n GLY 708 Ca 0.13 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 1k2m n GLY 708 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1k2m n MET 709 N 0.00 -0.78 -2.85 1.61 0.00 -1.26 -4.89 117.12 108.95 1k2m n MET 709 Ca 0.00 0.11 -0.19 0.00 0.00 0.00 0.00 57.70 57.62 1k2m n MET 709 Cb 0.00 -3.68 0.02 0.00 0.00 0.00 0.00 33.22 29.56 1k2m n MET 709 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 175.97 174.80 1k2m s LEU 710 N -5.96 3.49 0.54 3.17 0.20 -1.26 -4.97 118.68 113.89 1k2m s LEU 710 Ca 0.63 -0.23 0.31 0.00 0.69 0.00 0.00 54.13 55.53 1k2m s LEU 710 Cb -0.37 -2.76 1.47 0.00 -0.43 0.00 0.00 46.19 44.10 1k2m s LEU 710 CO 0.81 -0.93 1.90 1.56 -0.29 0.00 0.00 176.35 179.41 1k2m h GLN 711 N 0.39 0.00 -5.58 1.98 4.20 -2.03 -3.38 115.11 110.68 1k2m h GLN 711 Ca -0.41 -0.00 -0.59 0.00 0.06 0.00 0.00 58.65 57.71 1k2m h GLN 711 Cb 1.29 -0.00 -0.09 0.00 0.30 0.00 0.00 27.48 28.97 1k2m h GLN 711 CO 0.48 0.00 -0.27 -1.21 -0.67 0.00 0.00 178.83 177.17 1k2m s GLU 712 N -4.98 4.26 -0.70 1.46 8.01 -1.26 -5.03 118.70 120.45 1k2m s GLU 712 Ca -0.05 0.20 -0.25 0.00 0.01 0.00 0.00 54.97 54.88 1k2m s GLU 712 Cb 0.21 -3.42 0.04 0.00 -4.31 0.00 0.00 34.13 26.66 1k2m s GLU 712 CO 0.77 0.24 1.16 -1.14 0.01 0.00 0.00 175.26 176.30 1k2m s GLN 713 N 0.43 3.18 -0.25 1.61 0.74 -1.26 -4.55 119.66 119.56 1k2m s GLN 713 Ca 0.19 -0.42 -0.23 0.00 0.05 0.00 0.00 55.36 54.96 1k2m s GLN 713 Cb -0.14 -4.19 0.03 0.00 1.10 0.00 0.00 33.01 29.82 1k2m s GLN 713 CO 0.06 -2.00 0.38 0.54 -0.55 0.00 0.00 175.29 173.72 1k2m n ARG 714 N 8.74 -1.20 -4.78 1.67 5.12 -1.26 -4.99 116.66 119.96 1k2m n ARG 714 Ca 0.01 1.13 -0.26 0.00 -1.93 0.00 0.00 57.85 56.80 1k2m n ARG 714 Cb 0.48 -1.54 -0.15 0.00 -1.16 0.00 0.00 32.46 30.09 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 -1.25 1.62 -0.37 1.55 -7.23 -1.26 -4.93 120.40 108.53 1k2m s VAL 715 Ca 0.22 -1.05 -0.27 0.00 -1.81 0.00 0.00 61.98 59.06 1k2m s VAL 715 Cb -0.02 -1.38 0.02 0.00 0.56 0.00 0.00 36.38 35.55 1k2m s VAL 715 CO 0.50 0.30 1.01 -0.69 -0.31 0.00 0.00 175.10 175.91 1k2m s VAL 716 N -0.66 4.50 0.66 1.32 1.01 -1.26 -4.71 120.40 121.25 1k2m s VAL 716 Ca 0.07 1.39 -0.04 0.00 0.00 0.00 0.00 61.98 63.41 1k2m s VAL 716 Cb -0.08 -4.41 0.05 0.00 0.00 0.00 0.00 36.38 31.94 1k2m s VAL 716 CO 0.01 -0.59 0.94 -0.76 0.00 0.00 0.00 175.10 174.69 1k2m s LEU 717 N 3.70 2.97 0.21 3.92 1.02 0.31 -4.85 118.68 125.96 1k2m s LEU 717 Ca 0.42 0.29 0.06 0.00 0.02 0.00 0.00 54.13 54.91 1k2m s LEU 717 Cb -0.11 -3.00 -0.03 0.00 0.02 0.00 0.00 46.19 43.06 1k2m s LEU 717 CO 0.20 -1.46 0.23 -0.54 0.02 0.00 0.00 176.35 174.80 1k2m s LYS 718 N -5.09 3.10 0.29 1.70 1.02 -1.26 0.15 119.74 119.66 1k2m s LYS 718 Ca 0.59 -0.88 0.00 0.00 0.02 0.00 0.00 55.97 55.70 1k2m s LYS 718 Cb -0.10 -2.71 -0.04 0.00 -0.52 0.00 0.00 37.83 34.46 1k2m s LYS 718 CO 0.43 0.44 0.49 -0.65 -0.92 0.00 0.00 175.35 175.14 1k2m s GLN 719 N -3.61 3.50 0.31 1.68 -0.21 0.31 -4.53 119.66 117.10 1k2m s GLN 719 Ca 0.33 -0.35 0.02 0.00 0.02 0.00 0.00 55.36 55.37 1k2m s GLN 719 Cb -0.09 -2.73 -0.01 0.00 1.00 0.00 0.00 33.01 31.18 1k2m s GLN 719 CO 0.26 0.25 0.06 0.25 -2.12 0.00 0.00 175.29 173.99 1k2m n THR 720 N -1.40 0.00 -0.07 -0.19 -2.24 -1.26 -4.95 114.28 104.18 1k2m n THR 720 Ca -0.05 -1.62 0.22 0.00 -2.27 0.00 0.00 64.05 60.33 1k2m n THR 720 Cb 0.55 0.48 0.68 0.00 -2.10 0.00 0.00 70.33 69.95 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 1.35 2.57 -0.47 6.98 0.00 -1.99 -0.05 119.26 127.64 1k2m h ALA 721 Ca -0.24 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1k2m h ALA 721 Cb 0.84 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1k2m h ALA 721 CO 0.40 -0.76 0.27 0.93 0.00 0.00 0.00 179.25 180.09 1k2m h GLU 722 N 0.04 0.64 -0.01 0.00 4.39 -1.99 0.12 114.58 117.76 1k2m h GLU 722 Ca 0.31 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.95 1k2m h GLU 722 Cb 1.20 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 29.72 1k2m h GLU 722 CO -0.02 0.49 -0.01 0.93 -1.16 0.00 0.00 179.01 179.24 1k2m h GLU 723 N 0.62 0.03 -0.55 2.33 3.07 -1.42 -2.93 114.58 115.74 1k2m h GLU 723 Ca 0.17 -0.02 0.10 0.00 -0.50 0.00 0.00 59.36 59.11 1k2m h GLU 723 Cb 0.02 -0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 27.90 1k2m h GLU 723 CO -0.03 0.46 0.37 0.87 -1.40 0.00 0.00 179.01 179.29 1k2m h LYS 724 N -0.40 0.29 -0.50 2.33 1.57 -1.26 -1.35 116.57 117.24 1k2m h LYS 724 Ca 0.00 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.68 1k2m h LYS 724 Cb 0.46 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 1k2m h LYS 724 CO 0.00 0.19 -0.01 0.22 -0.57 0.00 0.00 179.45 179.29 1k2m h ASP 725 N 0.30 0.87 -0.67 0.86 3.58 -0.86 -0.61 116.42 119.90 1k2m h ASP 725 Ca 0.25 -0.31 0.07 0.00 0.42 0.00 0.00 57.03 57.47 1k2m h ASP 725 Cb 0.60 -0.24 -0.06 0.00 1.72 0.00 0.00 39.33 41.35 1k2m h ASP 725 CO -0.06 0.97 0.34 -0.07 -2.88 0.00 0.00 179.24 177.54 1k2m h LEU 726 N 0.75 0.47 -0.36 2.28 3.38 -1.06 -1.54 115.31 119.23 1k2m h LEU 726 Ca 0.14 0.05 -0.16 0.00 0.09 0.00 0.00 57.88 58.00 1k2m h LEU 726 Cb 0.53 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1k2m h LEU 726 CO 0.03 0.29 -0.77 1.62 0.09 0.00 0.00 178.44 179.69 1k2m h VAL 727 N 0.61 1.49 -0.88 1.22 3.04 -1.43 -3.22 116.25 117.08 1k2m h VAL 727 Ca 0.31 -2.70 0.12 0.00 -1.01 0.00 0.00 66.70 63.42 1k2m h VAL 727 Cb 0.27 2.48 -0.07 0.00 -2.01 0.00 0.00 31.29 31.97 1k2m h VAL 727 CO -0.23 0.76 0.57 0.50 -1.01 0.00 0.00 177.57 178.16 1k2m h LYS 728 N 0.00 0.76 -0.95 4.17 3.11 -0.07 0.88 116.57 124.48 1k2m h LYS 728 Ca -0.01 -0.05 -0.40 0.00 -2.81 0.00 0.00 60.65 57.39 1k2m h LYS 728 Cb 1.42 -0.17 -0.24 0.00 -1.00 0.00 0.00 32.23 32.24 1k2m h LYS 728 CO 0.10 0.50 0.50 1.63 -2.81 0.00 0.00 179.45 179.38 1k2m n LYS 729 N -4.54 2.43 0.00 1.90 5.02 -1.06 -5.09 118.16 116.82 1k2m n LYS 729 Ca 0.16 -2.67 0.16 0.00 -2.02 0.00 0.00 58.31 53.93 1k2m n LYS 729 Cb 0.38 -2.06 0.94 0.00 -0.02 0.00 0.00 35.03 34.26 1k2m n LYS 729 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77