#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k2m h ASN 574 N 0.00 0.00 0.00 1.61 -1.07 -2.06 -3.37 115.58 110.70 1k2m h ASN 574 Ca 0.00 0.00 -0.13 0.00 0.07 0.00 0.00 56.30 56.24 1k2m h ASN 574 Cb 0.00 0.00 -0.12 0.00 -2.07 0.00 0.00 38.32 36.13 1k2m h ASN 574 CO 0.00 0.13 -0.24 0.61 0.07 0.00 0.00 177.43 178.01 1k2m n GLY 575 N 0.14 1.04 3.48 9.14 0.00 -1.26 -5.04 105.19 112.69 1k2m n GLY 575 Ca 0.00 -0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 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 0.06 3.10 -0.18 1.61 3.00 -1.26 0.18 118.95 125.46 1k2m s ARG 576 Ca 0.04 -0.75 -0.14 0.00 -1.00 0.00 0.00 55.73 53.88 1k2m s ARG 576 Cb 0.21 -3.97 -0.06 0.00 0.00 0.00 0.00 34.95 31.13 1k2m s ARG 576 CO -0.06 -0.86 -0.23 0.34 0.00 0.00 0.00 175.30 174.48 1k2m n PHE 577 N 5.62 0.47 -4.29 5.12 -0.00 -0.84 -2.89 117.46 120.66 1k2m n PHE 577 Ca -0.07 0.20 -0.34 0.00 -0.00 0.00 0.00 57.45 57.25 1k2m n PHE 577 Cb 0.47 -0.71 -0.09 0.00 -0.00 0.00 0.00 39.48 39.16 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 -8.00 3.61 -0.24 -2.13 2.96 -1.08 -0.63 118.68 113.17 1k2m s LEU 578 Ca -0.24 0.08 0.00 0.00 -0.22 0.00 0.00 54.13 53.76 1k2m s LEU 578 Cb 0.04 -1.98 0.04 0.00 0.50 0.00 0.00 46.19 44.79 1k2m s LEU 578 CO 0.36 0.32 -0.10 -0.89 -1.32 0.00 0.00 176.35 174.72 1k2m s THR 579 N -1.02 2.49 -0.38 3.68 2.01 0.12 0.18 115.64 122.73 1k2m s THR 579 Ca 0.17 -1.25 -0.10 0.00 0.31 0.00 0.00 61.69 60.82 1k2m s THR 579 Cb -0.12 -2.31 0.04 0.00 0.01 0.00 0.00 72.50 70.12 1k2m s THR 579 CO 0.08 0.16 0.20 -0.76 -0.69 0.00 0.00 174.62 173.60 1k2m s LEU 580 N 1.24 4.72 -0.38 4.42 1.43 0.42 0.17 118.68 130.70 1k2m s LEU 580 Ca -0.03 -1.10 0.01 0.00 -1.03 0.00 0.00 54.13 51.99 1k2m s LEU 580 Cb -0.17 -1.99 0.11 0.00 0.03 0.00 0.00 46.19 44.16 1k2m s LEU 580 CO -0.06 -0.40 0.13 -1.59 0.23 0.00 0.00 176.35 174.66 1k2m s LYS 581 N 1.51 1.73 -0.85 1.70 -2.85 -0.17 0.15 119.74 120.96 1k2m s LYS 581 Ca 0.01 -1.91 -0.29 0.00 -1.00 0.00 0.00 55.97 52.78 1k2m s LYS 581 Cb -0.20 -3.38 -0.18 0.00 -2.06 0.00 0.00 37.83 32.02 1k2m s LYS 581 CO 0.05 -1.01 2.61 -2.30 0.10 0.00 0.00 175.35 174.81 1k2m n PRO 582 N 4.32 0.30 -1.82 1.78 -0.02 0.97 -2.66 135.00 137.86 1k2m n PRO 582 Ca 0.02 -0.01 -0.32 0.00 -2.02 0.00 0.00 63.50 61.17 1k2m n PRO 582 Cb 0.41 -2.07 0.03 0.00 -0.02 0.00 0.00 33.50 31.86 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 9.90 3.31 0.59 2.45 2.34 -1.07 -1.93 118.68 134.27 1k2m s LEU 583 Ca 1.25 1.69 0.29 0.00 0.06 0.00 0.00 54.13 57.42 1k2m s LEU 583 Cb -0.94 -4.51 1.38 0.00 -0.56 0.00 0.00 46.19 41.56 1k2m s LEU 583 CO 0.42 -1.27 1.78 -0.65 -1.06 0.00 0.00 176.35 175.58 1k2m h PRO 584 N -0.14 0.00 0.00 1.48 0.11 -1.90 0.49 132.00 132.04 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 -0.09 0.22 -0.21 0.00 0.00 178.00 178.50 1k2m h ASP 585 N 0.00 0.00 -2.94 -2.05 3.58 -1.91 -3.42 116.42 109.67 1k2m h ASP 585 Ca 0.27 0.00 -0.54 0.00 0.42 0.00 0.00 57.03 57.19 1k2m h ASP 585 Cb 1.53 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.56 1k2m h ASP 585 CO -0.00 0.09 -0.30 -0.55 -2.88 0.00 0.00 179.24 175.59 1k2m s SER 586 N -6.72 6.41 0.35 2.28 0.15 0.17 -4.83 113.70 111.51 1k2m s SER 586 Ca -0.04 0.48 0.15 0.00 0.70 0.00 0.00 55.95 57.23 1k2m s SER 586 Cb 0.16 -2.04 0.80 0.00 -1.71 0.00 0.00 66.02 63.22 1k2m s SER 586 CO 0.64 -0.06 1.36 0.16 1.20 0.00 0.00 173.24 176.54 1k2m h ILE 587 N 1.58 0.00 -3.27 6.45 3.07 -1.28 -3.40 117.51 120.66 1k2m h ILE 587 Ca -0.48 0.00 -0.68 0.00 1.55 0.00 0.00 64.86 65.26 1k2m h ILE 587 Cb 1.19 0.32 -0.14 0.00 -0.27 0.00 0.00 36.82 37.92 1k2m h ILE 587 CO 0.68 0.00 -0.61 -0.63 -1.05 0.00 0.00 178.15 176.54 1k2m s ILE 588 N -3.39 4.41 -0.47 0.16 1.01 -1.26 -5.04 121.20 116.62 1k2m s ILE 588 Ca -0.02 -0.21 0.08 0.00 0.00 0.00 0.00 60.65 60.50 1k2m s ILE 588 Cb 0.04 -2.86 0.38 0.00 0.01 0.00 0.00 42.46 40.04 1k2m s ILE 588 CO 0.13 0.60 0.97 0.00 0.00 0.00 0.00 174.94 176.65 1k2m n GLN 589 N 2.15 2.68 -4.52 2.79 3.00 -1.23 -3.69 117.38 118.56 1k2m n GLN 589 Ca -0.19 -4.30 -0.24 0.00 -0.01 0.00 0.00 57.00 52.25 1k2m n GLN 589 Cb 0.54 -2.03 -0.11 0.00 0.00 0.00 0.00 30.24 28.64 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 -3.29 1.79 -0.10 -1.09 2.02 -0.81 -4.98 118.70 112.23 1k2m s GLU 590 Ca 0.44 -2.01 -0.00 0.00 0.02 0.00 0.00 54.97 53.42 1k2m s GLU 590 Cb 0.36 -1.19 0.02 0.00 0.10 0.00 0.00 34.13 33.42 1k2m s GLU 590 CO -0.12 -0.14 -0.07 -1.54 0.02 0.00 0.00 175.26 173.41 1k2m s SER 591 N -3.59 2.02 0.08 -0.19 1.04 -1.26 -0.02 113.70 111.78 1k2m s SER 591 Ca 0.35 -0.26 0.06 0.00 0.48 0.00 0.00 55.95 56.58 1k2m s SER 591 Cb 0.09 -0.77 -0.04 0.00 0.10 0.00 0.00 66.02 65.40 1k2m s SER 591 CO 0.16 -0.12 -0.10 -0.76 0.98 0.00 0.00 173.24 173.41 1k2m s LEU 592 N 1.64 3.04 -0.15 2.42 2.01 0.40 -4.93 118.68 123.10 1k2m s LEU 592 Ca 0.03 -0.33 0.00 0.00 0.01 0.00 0.00 54.13 53.84 1k2m s LEU 592 Cb -0.13 -1.81 0.02 0.00 0.01 0.00 0.00 46.19 44.28 1k2m s LEU 592 CO -0.07 0.21 -0.13 -1.61 1.01 0.00 0.00 176.35 175.76 1k2m s GLU 593 N -1.96 2.21 -0.43 1.70 8.01 -1.26 0.16 118.70 127.13 1k2m s GLU 593 Ca 0.20 -0.55 -0.29 0.00 0.01 0.00 0.00 54.97 54.34 1k2m s GLU 593 Cb -0.11 -2.08 0.01 0.00 -4.31 0.00 0.00 34.13 27.63 1k2m s GLU 593 CO 0.12 -0.25 1.48 0.42 0.01 0.00 0.00 175.26 177.03 1k2m s ILE 594 N 1.50 3.81 -0.24 -1.63 1.01 0.47 -4.94 121.20 121.19 1k2m s ILE 594 Ca 0.05 0.81 -0.29 0.00 0.00 0.00 0.00 60.65 61.22 1k2m s ILE 594 Cb -0.13 -4.15 -0.03 0.00 0.01 0.00 0.00 42.46 38.16 1k2m s ILE 594 CO -0.10 -0.77 1.90 -1.58 0.00 0.00 0.00 174.94 174.39 1k2m s GLN 595 N 5.17 3.44 0.42 2.79 2.00 -1.26 -1.98 119.66 130.23 1k2m s GLN 595 Ca 0.63 1.75 0.26 0.00 -2.00 0.00 0.00 55.36 56.01 1k2m s GLN 595 Cb -0.14 -4.21 1.34 0.00 0.80 0.00 0.00 33.01 30.80 1k2m s GLN 595 CO 0.32 -1.74 1.65 -0.56 -0.50 0.00 0.00 175.29 174.46 1k2m h GLN 596 N 12.87 0.15 0.00 1.67 3.07 0.16 1.58 115.11 134.60 1k2m h GLN 596 Ca -0.37 -0.01 -0.01 0.00 0.09 0.00 0.00 58.65 58.35 1k2m h GLN 596 Cb 1.19 -0.03 -0.00 0.00 0.08 0.00 0.00 27.48 28.72 1k2m h GLN 596 CO 1.00 0.10 -0.03 0.78 0.09 0.00 0.00 178.83 180.76 1k2m h GLY 597 N 0.15 0.00 -7.76 0.06 0.00 -1.88 -3.40 103.07 90.24 1k2m h GLY 597 Ca 0.78 0.00 -0.65 0.00 0.00 0.00 0.00 47.33 47.46 1k2m h GLY 597 CO -0.43 0.00 -0.53 0.14 0.00 0.00 0.00 176.54 175.72 1k2m s VAL 598 N -4.39 5.12 -0.04 4.60 1.01 0.54 -5.06 120.40 122.17 1k2m s VAL 598 Ca -0.04 0.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.94 1k2m s VAL 598 Cb 0.14 -3.48 0.03 0.00 0.00 0.00 0.00 36.38 33.07 1k2m s VAL 598 CO 0.53 0.20 0.04 0.21 0.00 0.00 0.00 175.10 176.08 1k2m s ASN 599 N 1.72 0.99 0.44 3.32 2.47 -1.26 -3.96 114.94 118.67 1k2m s ASN 599 Ca 0.07 0.04 -0.03 0.00 0.42 0.00 0.00 52.86 53.36 1k2m s ASN 599 Cb -0.16 -0.18 -0.03 0.00 -1.45 0.00 0.00 41.25 39.43 1k2m s ASN 599 CO 0.10 -0.21 0.71 -2.16 -3.72 0.00 0.00 177.10 171.81 1k2m s PRO 600 N 1.90 3.50 -0.32 0.43 0.04 -1.26 -5.02 135.00 134.26 1k2m s PRO 600 Ca 0.02 0.01 -0.20 0.00 0.04 0.00 0.00 61.00 60.87 1k2m s PRO 600 Cb -0.12 -2.47 -0.01 0.00 0.04 0.00 0.00 34.50 31.94 1k2m s PRO 600 CO -0.03 -0.11 0.62 0.12 0.04 0.00 0.00 177.00 177.63 1k2m s PHE 601 N -2.61 3.20 -0.01 0.56 5.36 0.32 -4.89 117.98 119.91 1k2m s PHE 601 Ca 0.45 0.50 -0.16 0.00 -0.96 0.00 0.00 56.93 56.77 1k2m s PHE 601 Cb -0.10 -3.01 -0.06 0.00 -0.34 0.00 0.00 43.02 39.52 1k2m s PHE 601 CO 0.42 -0.51 0.44 -0.06 -1.46 0.00 0.00 175.22 174.06 1k2m s PHE 602 N 2.60 3.70 0.05 10.12 0.08 -1.26 0.94 117.98 134.21 1k2m s PHE 602 Ca 0.24 1.01 0.07 0.00 0.12 0.00 0.00 56.93 58.38 1k2m s PHE 602 Cb -0.15 -2.37 -0.03 0.00 -0.57 0.00 0.00 43.02 39.90 1k2m s PHE 602 CO 0.12 0.54 -0.20 0.42 -0.10 0.00 0.00 175.22 176.00 1k2m s ILE 603 N -0.75 1.64 -3.66 0.64 1.09 0.16 0.14 121.20 120.46 1k2m s ILE 603 Ca 0.25 -1.24 0.00 0.00 -1.10 0.00 0.00 60.65 58.56 1k2m s ILE 603 Cb -0.17 -1.44 0.00 0.00 -1.06 0.00 0.00 42.46 39.79 1k2m s ILE 603 CO 0.14 0.15 0.00 0.61 -0.10 0.00 0.00 174.94 175.74 1k2m n GLY 604 N 1.74 -1.90 0.03 6.18 0.00 -1.13 -2.24 105.19 107.86 1k2m n GLY 604 Ca -0.18 -1.18 0.14 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.36 0.08 -3.58 1.61 0.63 -0.76 -1.10 116.66 113.18 1k2m n ARG 605 Ca 0.00 0.06 -0.37 0.00 -0.92 0.00 0.00 57.85 56.63 1k2m n ARG 605 Cb 0.00 -1.59 -0.07 0.00 0.45 0.00 0.00 32.46 31.25 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 -3.48 6.46 0.58 6.15 0.01 -1.14 -4.76 113.70 117.53 1k2m s SER 606 Ca 0.13 0.54 0.29 0.00 1.31 0.00 0.00 55.95 58.22 1k2m s SER 606 Cb 0.17 -2.17 1.47 0.00 0.21 0.00 0.00 66.02 65.69 1k2m s SER 606 CO 0.56 0.16 1.89 -0.08 0.41 0.00 0.00 173.24 176.18 1k2m h GLU 607 N 6.28 0.00 -0.81 12.44 4.81 -1.89 0.71 114.58 136.12 1k2m h GLU 607 Ca -0.44 0.00 0.23 0.00 -0.13 0.00 0.00 59.36 59.02 1k2m h GLU 607 Cb 1.18 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.52 1k2m h GLU 607 CO 0.72 0.00 0.57 -0.44 -0.73 0.00 0.00 179.01 179.14 1k2m h ASP 608 N 0.00 0.06 -3.27 1.04 5.19 -1.90 -3.40 116.42 114.15 1k2m h ASP 608 Ca 0.24 0.01 -0.54 0.00 -0.62 0.00 0.00 57.03 56.11 1k2m h ASP 608 Cb 1.24 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 40.73 1k2m h ASP 608 CO -0.00 0.03 0.51 0.00 -3.12 0.00 0.00 179.24 176.65 1k2m h ASN 610 N 6.93 0.25 -2.88 0.00 4.21 -0.03 -3.36 115.58 120.70 1k2m h ASN 610 Ca -0.39 0.09 -0.66 0.00 1.21 0.00 0.00 56.30 56.54 1k2m h ASN 610 Cb 1.20 0.06 -0.10 0.00 -1.12 0.00 0.00 38.32 38.36 1k2m h ASN 610 CO 0.80 -0.05 -0.52 0.00 -1.29 0.00 0.00 177.43 176.37 1k2m s LYS 612 N -0.81 2.69 -0.18 0.00 -0.14 -1.26 -2.86 119.74 117.18 1k2m s LYS 612 Ca 0.13 -1.07 -0.04 0.00 -1.36 0.00 0.00 55.97 53.63 1k2m s LYS 612 Cb -0.12 -3.00 0.06 0.00 -1.68 0.00 0.00 37.83 33.10 1k2m s LYS 612 CO 0.03 -0.46 0.07 0.42 -0.76 0.00 0.00 175.35 174.65 1k2m s ILE 613 N 1.28 0.18 -0.58 2.17 -1.09 -0.26 -4.97 121.20 117.93 1k2m s ILE 613 Ca -0.02 -0.35 -0.23 0.00 -2.23 0.00 0.00 60.65 57.83 1k2m s ILE 613 Cb -0.17 -0.78 0.05 0.00 -1.58 0.00 0.00 42.46 39.98 1k2m s ILE 613 CO -0.04 -0.26 0.91 -1.83 -1.23 0.00 0.00 174.94 172.49 1k2m s GLU 614 N 2.01 3.24 -0.21 2.79 1.03 -1.26 -2.73 118.70 123.58 1k2m s GLU 614 Ca 0.01 -0.51 -0.01 0.00 0.03 0.00 0.00 54.97 54.48 1k2m s GLU 614 Cb -0.16 -4.11 0.06 0.00 -0.80 0.00 0.00 34.13 29.11 1k2m s GLU 614 CO -0.09 -1.56 0.00 0.34 -1.33 0.00 0.00 175.26 172.63 1k2m s ASP 615 N 3.08 3.24 0.43 0.83 -1.08 -1.26 -5.01 116.67 116.89 1k2m s ASP 615 Ca 0.26 -0.94 0.30 0.00 -0.52 0.00 0.00 52.55 51.65 1k2m s ASP 615 Cb -0.15 -0.81 1.45 0.00 -1.46 0.00 0.00 42.92 41.95 1k2m s ASP 615 CO 0.16 -0.28 1.59 -0.55 0.52 0.00 0.00 175.17 176.61 1k2m h ASN 616 N 8.14 0.23 0.37 -0.34 7.08 -2.02 1.04 115.58 130.09 1k2m h ASN 616 Ca -0.17 0.17 -0.26 0.00 -3.08 0.00 0.00 56.30 52.96 1k2m h ASN 616 Cb 1.10 0.17 0.01 0.00 -2.08 0.00 0.00 38.32 37.52 1k2m h ASN 616 CO 0.36 -0.27 -1.11 0.03 -2.08 0.00 0.00 177.43 174.36 1k2m h ARG 617 N 0.03 0.42 -7.24 4.14 2.47 -2.00 -3.46 114.38 108.74 1k2m h ARG 617 Ca 0.86 -0.55 -0.52 0.00 -1.26 0.00 0.00 59.98 58.51 1k2m h ARG 617 Cb 2.67 0.18 0.20 0.00 -1.65 0.00 0.00 29.97 31.37 1k2m h ARG 617 CO -0.51 1.21 0.21 1.28 0.56 0.00 0.00 179.97 182.72 1k2m n LEU 618 N -3.69 3.37 -4.80 3.04 4.32 0.36 -4.83 117.00 114.76 1k2m n LEU 618 Ca -0.09 0.44 -0.22 0.00 -0.02 0.00 0.00 56.01 56.12 1k2m n LEU 618 Cb 0.93 -1.47 -0.05 0.00 -1.62 0.00 0.00 43.42 41.21 1k2m n LEU 618 CO 0.54 -2.14 -0.12 -0.94 -1.22 0.00 0.00 177.39 173.51 1k2m s SER 619 N -2.54 4.98 0.24 -1.43 1.04 -1.26 -4.80 113.70 109.93 1k2m s SER 619 Ca 0.68 -0.67 -0.07 0.00 0.48 0.00 0.00 55.95 56.37 1k2m s SER 619 Cb -0.24 -0.80 0.42 0.00 0.10 0.00 0.00 66.02 65.50 1k2m s SER 619 CO 0.57 -0.39 1.65 0.03 0.98 0.00 0.00 173.24 176.08 1k2m h ARG 620 N 1.34 0.12 -2.26 4.02 -0.00 -1.93 -1.85 114.38 113.82 1k2m h ARG 620 Ca -0.44 -0.01 -0.59 0.00 -0.50 0.00 0.00 59.98 58.45 1k2m h ARG 620 Cb 1.25 -0.03 -0.42 0.00 0.00 0.00 0.00 29.97 30.78 1k2m h ARG 620 CO 0.61 0.08 -0.67 0.28 0.00 0.00 0.00 179.97 180.27 1k2m n VAL 621 N -5.31 2.79 -0.19 2.04 0.31 -1.26 -2.88 118.33 113.83 1k2m n VAL 621 Ca 0.13 -5.48 -0.00 0.00 -0.01 0.00 0.00 64.34 58.98 1k2m n VAL 621 Cb 0.45 -1.44 0.08 0.00 -0.91 0.00 0.00 33.84 32.03 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 3.14 -0.05 -2.03 3.52 2.76 -1.14 -3.37 115.15 117.98 1k2m h HIS 622 Ca 0.14 0.04 0.09 0.00 -2.20 0.00 0.00 60.37 58.44 1k2m h HIS 622 Cb 0.55 0.11 -0.18 0.00 1.55 0.00 0.00 27.41 29.44 1k2m h HIS 622 CO 0.80 -0.15 0.49 0.00 -1.30 0.00 0.00 177.93 177.77 1k2m s PHE 624 N -2.35 0.08 -0.16 0.00 -0.12 0.31 0.38 117.98 116.13 1k2m s PHE 624 Ca 0.02 -0.20 -0.07 0.00 -0.05 0.00 0.00 56.93 56.62 1k2m s PHE 624 Cb -0.01 -0.08 -0.04 0.00 -0.63 0.00 0.00 43.02 42.26 1k2m s PHE 624 CO -0.04 -0.26 0.10 0.42 -0.05 0.00 0.00 175.22 175.39 1k2m s ILE 625 N -1.34 5.15 -0.06 -4.49 1.01 0.27 0.18 121.20 121.91 1k2m s ILE 625 Ca -0.14 0.09 0.04 0.00 0.00 0.00 0.00 60.65 60.63 1k2m s ILE 625 Cb -0.08 -3.29 0.00 0.00 0.01 0.00 0.00 42.46 39.10 1k2m s ILE 625 CO 0.01 0.52 -0.18 0.12 0.00 0.00 0.00 174.94 175.40 1k2m s PHE 626 N -0.19 1.91 -0.11 3.97 5.36 0.52 0.12 117.98 129.55 1k2m s PHE 626 Ca 0.09 -0.64 -0.10 0.00 -0.96 0.00 0.00 56.93 55.32 1k2m s PHE 626 Cb -0.12 -1.30 -0.05 0.00 -0.34 0.00 0.00 43.02 41.22 1k2m s PHE 626 CO 0.01 -0.25 0.22 0.21 -1.46 0.00 0.00 175.22 173.95 1k2m s LYS 627 N 0.22 3.78 0.10 10.12 2.20 -1.26 0.18 119.74 135.08 1k2m s LYS 627 Ca -0.09 0.01 0.02 0.00 -0.36 0.00 0.00 55.97 55.55 1k2m s LYS 627 Cb -0.14 -3.27 -0.04 0.00 -1.51 0.00 0.00 37.83 32.87 1k2m s LYS 627 CO 0.04 0.61 -0.07 0.21 -0.36 0.00 0.00 175.35 175.77 1k2m s LYS 628 N -0.61 0.85 -0.36 4.03 2.36 0.22 -4.93 119.74 121.29 1k2m s LYS 628 Ca 0.16 -1.30 -0.29 0.00 -2.55 0.00 0.00 55.97 52.00 1k2m s LYS 628 Cb -0.13 -0.30 0.01 0.00 -1.05 0.00 0.00 37.83 36.36 1k2m s LYS 628 CO 0.05 0.01 1.28 0.50 1.55 0.00 0.00 175.35 178.75 1k2m s ARG 629 N -3.57 3.80 0.01 4.03 6.06 -1.26 0.17 118.95 128.20 1k2m s ARG 629 Ca 0.10 1.02 -0.26 0.00 -2.50 0.00 0.00 55.73 54.10 1k2m s ARG 629 Cb 0.03 -3.91 -0.05 0.00 0.06 0.00 0.00 34.95 31.08 1k2m s ARG 629 CO -0.03 -1.27 0.81 -1.58 -2.50 0.00 0.00 175.30 170.73 1k2m s HIS 630 N 4.62 3.69 -0.24 5.12 5.65 0.66 -4.85 115.29 129.93 1k2m s HIS 630 Ca 0.55 1.50 -0.08 0.00 0.25 0.00 0.00 55.06 57.28 1k2m s HIS 630 Cb -0.14 -2.90 0.11 0.00 -1.18 0.00 0.00 32.58 28.47 1k2m s HIS 630 CO 0.27 0.16 0.52 0.00 -0.65 0.00 0.00 174.74 175.03 1k2m s ALA 631 N 0.39 -1.53 0.86 1.58 0.00 -1.26 -0.63 121.76 121.17 1k2m s ALA 631 Ca 0.42 1.86 -0.12 0.00 0.00 0.00 0.00 51.96 54.13 1k2m s ALA 631 Cb -0.20 -1.50 0.12 0.00 0.00 0.00 0.00 23.12 21.53 1k2m s ALA 631 CO 0.23 -0.81 1.18 0.14 0.00 0.00 0.00 175.76 176.50 1k2m s VAL 632 N 2.69 2.03 0.22 0.00 -7.23 -1.26 -4.91 120.40 111.94 1k2m s VAL 632 Ca -0.04 0.01 -0.09 0.00 -1.81 0.00 0.00 61.98 60.06 1k2m s VAL 632 Cb -0.12 -2.22 0.19 0.00 0.56 0.00 0.00 36.38 34.79 1k2m s VAL 632 CO -0.15 -0.01 1.89 1.23 -0.31 0.00 0.00 175.10 177.75 1k2m h GLY 633 N -1.40 1.19 -5.88 2.32 0.00 -2.01 -3.43 103.07 93.85 1k2m h GLY 633 Ca -0.45 -0.43 0.21 0.00 0.00 0.00 0.00 47.33 46.66 1k2m h GLY 633 CO 0.44 0.41 0.14 0.54 0.00 0.00 0.00 176.54 178.07 1k2m s LYS 634 N -6.12 0.24 -0.76 4.80 1.02 -1.26 -5.09 119.74 112.56 1k2m s LYS 634 Ca -0.13 0.47 -0.26 0.00 0.02 0.00 0.00 55.97 56.07 1k2m s LYS 634 Cb 0.16 0.27 -0.09 0.00 -0.52 0.00 0.00 37.83 37.65 1k2m s LYS 634 CO 0.79 -0.21 2.23 -1.12 -0.92 0.00 0.00 175.35 176.12 1k2m s SER 635 N 2.78 4.45 -0.26 2.83 0.01 -1.26 -4.91 113.70 117.33 1k2m s SER 635 Ca 0.01 0.03 -0.07 0.00 1.31 0.00 0.00 55.95 57.23 1k2m s SER 635 Cb -0.09 -2.54 -0.01 0.00 0.21 0.00 0.00 66.02 63.58 1k2m s SER 635 CO -0.14 -3.28 0.06 -0.04 0.41 0.00 0.00 173.24 170.26 1k2m s MET 636 N 8.10 3.41 0.00 12.44 -1.94 -1.26 -4.79 119.30 135.26 1k2m s MET 636 Ca 0.85 -0.64 0.00 0.00 -1.71 0.00 0.00 55.69 54.19 1k2m s MET 636 Cb -0.12 -3.31 0.00 0.00 2.01 0.00 0.00 34.83 33.42 1k2m s MET 636 CO 0.09 -0.29 0.00 0.66 -0.01 0.00 0.00 175.02 175.48 1k2m n TYR 637 N 4.89 0.00 -2.58 -0.03 4.01 -1.26 -4.84 117.16 117.35 1k2m n TYR 637 Ca -0.16 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.21 1k2m n TYR 637 Cb 0.50 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.48 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 4.35 -0.50 -0.72 2.12 -1.26 -5.02 118.70 117.67 1k2m s GLU 638 Ca 0.00 1.53 -0.13 0.00 0.36 0.00 0.00 54.97 56.74 1k2m s GLU 638 Cb 0.00 -2.73 0.12 0.00 0.26 0.00 0.00 34.13 31.78 1k2m s GLU 638 CO 0.00 0.02 0.41 -1.12 -0.54 0.00 0.00 175.26 174.04 1k2m s SER 639 N -1.43 5.95 0.00 -1.70 0.01 -1.26 -4.79 113.70 110.47 1k2m s SER 639 Ca 0.53 -1.80 0.00 0.00 1.31 0.00 0.00 55.95 55.99 1k2m s SER 639 Cb -0.23 -2.11 0.00 0.00 0.21 0.00 0.00 66.02 63.89 1k2m s SER 639 CO 0.29 -0.76 0.00 -0.81 0.41 0.00 0.00 173.24 172.38 1k2m n PRO 640 N 5.08 1.57 -0.01 12.44 -0.04 -1.26 -4.94 135.00 147.84 1k2m n PRO 640 Ca -0.11 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.44 1k2m n PRO 640 Cb 0.41 0.00 0.48 0.00 -0.04 0.00 0.00 33.50 34.34 1k2m n PRO 640 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1k2m n ALA 641 N -3.00 2.59 -0.47 0.55 0.00 -1.26 -4.94 120.51 113.98 1k2m n ALA 641 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1k2m n ALA 641 Cb 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.21 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 -0.58 0.00 -3.10 0.00 3.00 -1.26 -4.10 117.38 111.34 1k2m n GLN 642 Ca 0.13 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 57.13 1k2m n GLN 642 Cb 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 30.24 30.34 1k2m n GLN 642 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1k2m s GLY 643 N 0.00 -1.34 0.00 1.08 0.00 -1.26 -4.03 107.32 101.77 1k2m s GLY 643 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 44.72 45.20 1k2m s GLY 643 CO 0.00 3.83 0.00 1.04 0.00 0.00 0.00 173.10 177.97 1k2m n LEU 644 N 4.23 0.00 -4.42 0.66 4.77 0.19 -4.88 117.00 117.56 1k2m n LEU 644 Ca 0.10 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.78 1k2m n LEU 644 Cb 0.59 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.55 1k2m n LEU 644 CO -0.02 0.00 -0.53 -1.81 -1.33 0.00 0.00 177.39 173.70 1k2m s ASP 645 N 0.69 3.52 0.07 -1.43 1.11 -1.26 0.24 116.67 119.61 1k2m s ASP 645 Ca 0.00 -0.58 0.06 0.00 0.18 0.00 0.00 52.55 52.20 1k2m s ASP 645 Cb 0.00 -0.41 -0.03 0.00 1.07 0.00 0.00 42.92 43.55 1k2m s ASP 645 CO 0.00 0.22 -0.16 -1.81 1.18 0.00 0.00 175.17 174.60 1k2m s ASP 646 N -1.70 1.85 -0.25 0.27 1.11 0.46 -3.72 116.67 114.69 1k2m s ASP 646 Ca 0.14 -0.59 -0.09 0.00 0.18 0.00 0.00 52.55 52.19 1k2m s ASP 646 Cb -0.10 -0.08 -0.04 0.00 1.07 0.00 0.00 42.92 43.76 1k2m s ASP 646 CO 0.06 -0.02 0.13 0.27 1.18 0.00 0.00 175.17 176.79 1k2m s ILE 647 N -1.14 4.96 -0.12 0.77 -4.36 -1.26 0.73 121.20 120.78 1k2m s ILE 647 Ca 0.01 0.05 -0.05 0.00 -0.26 0.00 0.00 60.65 60.39 1k2m s ILE 647 Cb -0.09 -3.33 -0.04 0.00 1.25 0.00 0.00 42.46 40.25 1k2m s ILE 647 CO 0.02 0.32 0.08 0.26 0.24 0.00 0.00 174.94 175.87 1k2m s TRP 648 N 1.42 3.40 -0.31 1.37 0.52 0.48 -0.87 118.94 124.95 1k2m s TRP 648 Ca 0.06 0.36 -0.12 0.00 0.02 0.00 0.00 56.10 56.42 1k2m s TRP 648 Cb -0.15 -1.91 -0.03 0.00 -1.15 0.00 0.00 33.47 30.23 1k2m s TRP 648 CO 0.06 0.57 0.22 -0.47 0.02 0.00 0.00 176.95 177.35 1k2m s TYR 649 N -0.79 3.22 -0.14 -1.98 5.04 0.17 0.19 117.35 123.07 1k2m s TYR 649 Ca 0.13 -0.07 -0.05 0.00 -2.44 0.00 0.00 57.07 54.64 1k2m s TYR 649 Cb -0.12 -2.43 -0.04 0.00 0.35 0.00 0.00 41.96 39.72 1k2m s TYR 649 CO 0.03 -0.27 0.03 0.00 -1.34 0.00 0.00 175.55 173.99 1k2m s HIS 651 N -0.13 2.80 0.00 0.00 2.46 -0.66 0.11 115.29 119.88 1k2m s HIS 651 Ca 0.05 -0.96 0.00 0.00 0.47 0.00 0.00 55.06 54.62 1k2m s HIS 651 Cb -0.12 -1.90 0.00 0.00 -0.13 0.00 0.00 32.58 30.43 1k2m s HIS 651 CO 0.02 -0.44 0.82 0.25 -2.47 0.00 0.00 174.74 172.92 1k2m n THR 652 N 4.03 0.67 -2.83 0.89 -2.24 0.06 0.47 114.28 115.33 1k2m n THR 652 Ca -0.19 -0.76 -0.32 0.00 -2.27 0.00 0.00 64.05 60.51 1k2m n THR 652 Cb 0.52 0.70 -0.05 0.00 -2.10 0.00 0.00 70.33 69.39 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 -0.67 2.24 0.32 3.38 0.00 0.72 -4.80 107.32 108.50 1k2m s GLY 653 Ca 0.00 0.16 0.25 0.00 0.00 0.00 0.00 44.72 45.12 1k2m s GLY 653 CO 0.00 0.40 1.69 -0.84 0.00 0.00 0.00 173.10 174.35 1k2m h THR 654 N 1.60 0.00 -0.04 0.90 2.02 -1.93 -3.18 112.91 112.28 1k2m h THR 654 Ca -0.48 -0.73 0.00 0.00 0.77 0.00 0.00 66.41 65.97 1k2m h THR 654 Cb 1.18 1.72 0.00 0.00 -1.74 0.00 0.00 68.15 69.31 1k2m h THR 654 CO 0.63 0.00 0.00 0.59 0.37 0.00 0.00 175.52 177.11 1k2m n ASN 655 N -2.66 0.61 -1.79 4.18 3.02 -1.26 -4.88 115.26 112.47 1k2m n ASN 655 Ca 0.05 -1.41 0.00 0.00 -0.03 0.00 0.00 54.58 53.19 1k2m n ASN 655 Cb 0.48 -0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.62 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 -0.44 -4.34 -3.17 2.41 3.14 -1.20 -4.87 118.33 109.87 1k2m n VAL 656 Ca 0.17 1.73 -0.20 0.00 -2.96 0.00 0.00 64.34 63.09 1k2m n VAL 656 Cb 0.18 -2.37 0.01 0.00 -1.06 0.00 0.00 33.84 30.60 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 -1.42 5.79 -0.10 6.55 0.15 0.15 -4.66 113.70 120.16 1k2m s SER 657 Ca 0.00 -0.12 -0.01 0.00 0.70 0.00 0.00 55.95 56.53 1k2m s SER 657 Cb 0.00 -1.13 0.03 0.00 -1.71 0.00 0.00 66.02 63.21 1k2m s SER 657 CO 0.00 -0.65 -0.05 -0.31 1.20 0.00 0.00 173.24 173.44 1k2m s TYR 658 N -2.36 1.16 -0.58 3.44 1.51 0.48 0.14 117.35 121.13 1k2m s TYR 658 Ca 0.49 -0.51 -0.19 0.00 -1.01 0.00 0.00 57.07 55.86 1k2m s TYR 658 Cb -0.10 -1.06 0.10 0.00 -0.11 0.00 0.00 41.96 40.80 1k2m s TYR 658 CO 0.34 -0.44 0.68 -1.17 -1.11 0.00 0.00 175.55 173.86 1k2m s LEU 659 N 1.79 5.40 0.00 -1.29 2.96 0.64 0.20 118.68 128.38 1k2m s LEU 659 Ca 0.05 -1.41 0.00 0.00 -0.22 0.00 0.00 54.13 52.55 1k2m s LEU 659 Cb -0.12 -2.31 0.00 0.00 0.50 0.00 0.00 46.19 44.26 1k2m s LEU 659 CO -0.07 -1.08 0.00 0.59 -1.32 0.00 0.00 176.35 174.47 1k2m n ASN 660 N 6.25 0.00 0.00 3.68 4.13 -0.56 -0.21 115.26 128.55 1k2m n ASN 660 Ca -0.10 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.16 1k2m n ASN 660 Cb 0.43 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.67 1k2m n ASN 660 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1k2m n ASN 661 N 1.95 0.55 -4.87 6.41 3.02 -1.26 -4.99 115.26 116.08 1k2m n ASN 661 Ca 0.00 -1.02 -0.36 0.00 -0.03 0.00 0.00 54.58 53.17 1k2m n ASN 661 Cb 0.00 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.11 1k2m n ASN 661 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1k2m s ASN 662 N -0.02 6.29 0.22 6.41 0.01 0.70 -5.09 114.94 123.45 1k2m s ASN 662 Ca 0.00 0.41 -0.26 0.00 -0.71 0.00 0.00 52.86 52.30 1k2m s ASN 662 Cb 0.00 -2.00 -0.09 0.00 0.41 0.00 0.00 41.25 39.57 1k2m s ASN 662 CO 0.00 0.37 0.84 -0.60 -1.51 0.00 0.00 177.10 176.21 1k2m s ARG 663 N -1.24 4.63 -0.36 -0.60 3.52 -1.26 -0.26 118.95 123.37 1k2m s ARG 663 Ca 0.18 1.25 0.03 0.00 -0.13 0.00 0.00 55.73 57.06 1k2m s ARG 663 Cb -0.12 -3.16 0.11 0.00 -1.56 0.00 0.00 34.95 30.22 1k2m s ARG 663 CO 0.07 0.50 0.10 -1.64 -0.81 0.00 0.00 175.30 173.52 1k2m s MET 664 N -1.38 1.40 0.34 5.12 -1.94 0.38 -4.80 119.30 118.42 1k2m s MET 664 Ca 0.40 -1.84 -0.11 0.00 -1.71 0.00 0.00 55.69 52.43 1k2m s MET 664 Cb -0.23 -2.96 -0.07 0.00 2.01 0.00 0.00 34.83 33.59 1k2m s MET 664 CO 0.27 -0.98 0.69 0.96 -0.01 0.00 0.00 175.02 175.95 1k2m s ILE 665 N 0.84 4.82 -0.57 2.53 -4.36 -1.26 0.35 121.20 123.54 1k2m s ILE 665 Ca 0.12 0.59 -0.35 0.00 -0.26 0.00 0.00 60.65 60.75 1k2m s ILE 665 Cb -0.20 -3.68 -0.15 0.00 1.25 0.00 0.00 42.46 39.68 1k2m s ILE 665 CO -0.10 -0.33 2.34 1.67 0.24 0.00 0.00 174.94 178.76 1k2m n GLN 666 N -0.82 0.54 0.00 0.37 7.27 -1.24 -1.64 117.38 121.86 1k2m n GLN 666 Ca 0.02 0.11 0.00 0.00 0.07 0.00 0.00 57.00 57.20 1k2m n GLN 666 Cb 0.53 -2.12 0.00 0.00 2.41 0.00 0.00 30.24 31.07 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 6.69 1.40 3.39 1.69 0.00 0.18 -4.96 105.19 113.59 1k2m n GLY 667 Ca 0.50 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.32 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 1.75 0.05 2.61 -4.23 -0.65 -2.52 115.64 110.64 1k2m s THR 668 Ca 0.00 -2.19 0.03 0.00 -1.18 0.00 0.00 61.69 58.36 1k2m s THR 668 Cb 0.00 -2.25 -0.02 0.00 1.34 0.00 0.00 72.50 71.57 1k2m s THR 668 CO 0.00 -0.45 -0.10 -0.75 -0.54 0.00 0.00 174.62 172.78 1k2m s LYS 669 N -3.67 0.66 -0.05 3.99 2.20 0.34 -1.65 119.74 121.56 1k2m s LYS 669 Ca 0.26 -0.76 -0.11 0.00 -0.36 0.00 0.00 55.97 55.00 1k2m s LYS 669 Cb 0.01 -0.55 0.02 0.00 -1.51 0.00 0.00 37.83 35.80 1k2m s LYS 669 CO 0.10 0.12 0.26 0.12 -0.36 0.00 0.00 175.35 175.58 1k2m s PHE 670 N -1.16 -0.18 0.20 4.03 2.19 -0.21 -0.26 117.98 122.59 1k2m s PHE 670 Ca -0.05 0.37 -0.30 0.00 0.33 0.00 0.00 56.93 57.28 1k2m s PHE 670 Cb -0.09 0.07 -0.09 0.00 -1.31 0.00 0.00 43.02 41.60 1k2m s PHE 670 CO 0.01 -0.27 1.35 -1.17 1.83 0.00 0.00 175.22 176.98 1k2m s LEU 671 N -0.74 4.40 -0.34 6.12 1.98 -1.26 0.46 118.68 129.31 1k2m s LEU 671 Ca -0.08 2.45 -0.06 0.00 -2.89 0.00 0.00 54.13 53.55 1k2m s LEU 671 Cb -0.04 -3.61 0.05 0.00 0.66 0.00 0.00 46.19 43.24 1k2m s LEU 671 CO 0.02 -0.59 0.10 -0.76 -1.89 0.00 0.00 176.35 173.24 1k2m s LEU 672 N 0.04 4.35 0.17 -0.68 1.43 -0.05 -4.86 118.68 119.08 1k2m s LEU 672 Ca 0.59 -1.22 0.00 0.00 -1.03 0.00 0.00 54.13 52.46 1k2m s LEU 672 Cb -0.38 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 43.95 1k2m s LEU 672 CO 0.38 -0.34 0.34 -1.10 0.23 0.00 0.00 176.35 175.86 1k2m s GLN 673 N 1.37 3.50 -0.22 1.70 -0.21 -1.25 -4.52 119.66 120.02 1k2m s GLN 673 Ca -0.01 -0.41 -0.35 0.00 0.02 0.00 0.00 55.36 54.61 1k2m s GLN 673 Cb -0.20 -2.89 -0.11 0.00 1.00 0.00 0.00 33.01 30.80 1k2m s GLN 673 CO 0.02 0.46 2.02 -3.47 -2.12 0.00 0.00 175.29 172.19 1k2m n ASP 674 N -0.49 2.83 -0.13 5.90 2.03 0.60 -1.32 116.55 125.98 1k2m n ASP 674 Ca -0.05 0.70 0.00 0.00 0.52 0.00 0.00 54.79 55.95 1k2m n ASP 674 Cb 0.53 -1.33 0.00 0.00 -0.72 0.00 0.00 41.12 39.61 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 5.30 1.10 3.59 0.27 0.00 0.36 -4.92 105.19 110.89 1k2m n GLY 675 Ca 0.31 -0.25 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.34 6.47 -0.45 1.61 1.11 -0.38 -4.75 116.67 117.93 1k2m s ASP 676 Ca 0.00 0.31 -0.18 0.00 0.18 0.00 0.00 52.55 52.86 1k2m s ASP 676 Cb 0.00 -2.33 0.04 0.00 1.07 0.00 0.00 42.92 41.70 1k2m s ASP 676 CO 0.00 -0.54 0.51 -1.61 1.18 0.00 0.00 175.17 174.71 1k2m s GLU 677 N 2.67 3.11 -0.12 8.23 2.02 -1.26 0.11 118.70 133.46 1k2m s GLU 677 Ca 0.25 -0.83 -0.02 0.00 0.02 0.00 0.00 54.97 54.39 1k2m s GLU 677 Cb -0.15 -4.03 -0.03 0.00 0.10 0.00 0.00 34.13 30.03 1k2m s GLU 677 CO 0.13 -1.00 -0.04 0.96 0.02 0.00 0.00 175.26 175.33 1k2m s ILE 678 N 2.29 3.87 -0.34 -1.63 -4.36 0.05 -1.49 121.20 119.59 1k2m s ILE 678 Ca 0.13 -0.38 -0.15 0.00 -0.26 0.00 0.00 60.65 59.98 1k2m s ILE 678 Cb -0.18 -2.66 -0.01 0.00 1.25 0.00 0.00 42.46 40.86 1k2m s ILE 678 CO 0.13 0.53 0.37 -0.54 0.24 0.00 0.00 174.94 175.68 1k2m s LYS 679 N -0.08 3.56 0.08 0.37 1.02 0.54 -0.03 119.74 125.19 1k2m s LYS 679 Ca 0.02 -0.40 -0.13 0.00 0.02 0.00 0.00 55.97 55.47 1k2m s LYS 679 Cb -0.13 -3.81 -0.22 0.00 -0.52 0.00 0.00 37.83 33.15 1k2m s LYS 679 CO 0.03 -0.54 1.20 0.82 -0.92 0.00 0.00 175.35 175.94 1k2m h ILE 680 N 5.55 1.28 -2.34 2.17 2.04 -1.80 1.39 117.51 125.79 1k2m h ILE 680 Ca -0.30 -2.24 -0.06 0.00 1.00 0.00 0.00 64.86 63.26 1k2m h ILE 680 Cb 1.14 2.36 -0.23 0.00 -0.74 0.00 0.00 36.82 39.35 1k2m h ILE 680 CO 0.70 0.69 -0.11 -0.51 0.00 0.00 0.00 178.15 178.93 1k2m s ILE 681 N -3.33 -0.01 -0.05 -0.67 2.07 -1.26 -4.07 121.20 113.88 1k2m s ILE 681 Ca -0.10 0.03 -0.00 0.00 -1.41 0.00 0.00 60.65 59.17 1k2m s ILE 681 Cb 0.07 -0.80 0.03 0.00 0.13 0.00 0.00 42.46 41.89 1k2m s ILE 681 CO 0.92 0.01 -0.01 0.86 -1.91 0.00 0.00 174.94 174.81 1k2m s TRP 682 N 1.04 0.56 -0.21 3.50 -0.00 -1.26 0.14 118.94 122.71 1k2m s TRP 682 Ca -0.06 -0.11 0.01 0.00 -0.00 0.00 0.00 56.10 55.94 1k2m s TRP 682 Cb -0.06 -0.63 0.03 0.00 -0.00 0.00 0.00 33.47 32.82 1k2m s TRP 682 CO -0.10 -0.22 -0.15 0.34 -0.00 0.00 0.00 176.95 176.83 1k2m s ASP 683 N 1.36 3.69 0.06 5.86 -1.08 -0.69 -5.00 116.67 120.87 1k2m s ASP 683 Ca -0.05 -0.84 -0.20 0.00 -0.52 0.00 0.00 52.55 50.94 1k2m s ASP 683 Cb -0.13 -1.54 -0.12 0.00 -1.46 0.00 0.00 42.92 39.67 1k2m s ASP 683 CO -0.02 -0.07 1.45 0.11 0.52 0.00 0.00 175.17 177.16 1k2m h LYS 684 N 7.92 0.36 -0.37 4.34 1.79 -1.94 0.72 116.57 129.39 1k2m h LYS 684 Ca -0.37 -0.14 -0.15 0.00 -2.18 0.00 0.00 60.65 57.81 1k2m h LYS 684 Cb 1.11 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.74 1k2m h LYS 684 CO 0.59 0.62 -0.36 -2.95 -1.08 0.00 0.00 179.45 176.27 1k2m h ASN 685 N 0.07 0.96 1.35 0.86 -1.07 -1.99 -3.17 115.58 112.60 1k2m h ASN 685 Ca 0.05 -0.46 -0.01 0.00 0.07 0.00 0.00 56.30 55.95 1k2m h ASN 685 Cb 0.49 -0.27 -0.00 0.00 -2.07 0.00 0.00 38.32 36.47 1k2m h ASN 685 CO 0.02 1.23 -0.65 -1.13 0.07 0.00 0.00 177.43 176.96 1k2m h ASN 686 N 0.71 0.00 0.00 6.14 -0.00 -1.99 -3.47 115.58 116.98 1k2m h ASN 686 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.36 1k2m h ASN 686 Cb 0.95 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.27 1k2m h ASN 686 CO 0.09 0.03 0.00 1.17 -0.00 0.00 0.00 177.43 178.72 1k2m n LYS 687 N -2.84 -0.56 -2.67 6.67 4.81 0.25 -4.93 118.16 118.89 1k2m n LYS 687 Ca 0.01 0.14 -0.42 0.00 -0.87 0.00 0.00 58.31 57.17 1k2m n LYS 687 Cb 0.56 -3.90 -0.03 0.00 0.02 0.00 0.00 35.03 31.67 1k2m n LYS 687 CO 0.00 0.00 0.00 -0.59 1.17 0.00 0.00 177.40 177.98 1k2m s PHE 688 N -1.85 2.63 -0.07 5.64 -0.12 -1.18 -4.85 117.98 118.17 1k2m s PHE 688 Ca 0.00 0.20 0.03 0.00 -0.05 0.00 0.00 56.93 57.11 1k2m s PHE 688 Cb 0.00 -4.38 -0.02 0.00 -0.63 0.00 0.00 43.02 37.98 1k2m s PHE 688 CO 0.00 -1.57 -0.14 0.54 -0.05 0.00 0.00 175.22 174.00 1k2m s VAL 689 N 4.69 3.02 0.11 -2.49 0.11 -1.26 -1.71 120.40 122.87 1k2m s VAL 689 Ca 0.38 -0.72 0.08 0.00 -2.93 0.00 0.00 61.98 58.79 1k2m s VAL 689 Cb -0.09 -2.21 -0.04 0.00 -1.53 0.00 0.00 36.38 32.51 1k2m s VAL 689 CO 0.22 0.57 -0.16 -0.63 -3.33 0.00 0.00 175.10 171.77 1k2m s ILE 690 N -0.41 2.99 -0.30 7.04 -1.09 0.37 -0.93 121.20 128.88 1k2m s ILE 690 Ca 0.05 -1.41 -0.16 0.00 -2.23 0.00 0.00 60.65 56.90 1k2m s ILE 690 Cb -0.12 -2.37 0.19 0.00 -1.58 0.00 0.00 42.46 38.58 1k2m s ILE 690 CO 0.02 0.13 1.19 -0.83 -1.23 0.00 0.00 174.94 174.21 1k2m s GLY 691 N -2.10 0.47 0.04 6.18 0.00 -1.26 -3.23 107.32 107.43 1k2m s GLY 691 Ca 0.19 3.66 0.06 0.00 0.00 0.00 0.00 44.72 48.62 1k2m s GLY 691 CO 0.11 2.72 -0.11 -1.36 0.00 0.00 0.00 173.10 174.45 1k2m s PHE 692 N 1.11 2.74 -0.32 1.90 0.08 0.96 -2.60 117.98 121.85 1k2m s PHE 692 Ca -0.08 -0.14 -0.12 0.00 0.12 0.00 0.00 56.93 56.71 1k2m s PHE 692 Cb -0.03 -1.51 -0.02 0.00 -0.57 0.00 0.00 43.02 40.89 1k2m s PHE 692 CO -0.11 0.35 0.20 0.21 -0.10 0.00 0.00 175.22 175.77 1k2m s LYS 693 N -1.66 3.59 -0.16 0.44 2.20 -1.09 -0.77 119.74 122.30 1k2m s LYS 693 Ca 0.18 -0.57 -0.27 0.00 -0.36 0.00 0.00 55.97 54.95 1k2m s LYS 693 Cb -0.11 -3.71 -0.01 0.00 -1.51 0.00 0.00 37.83 32.49 1k2m s LYS 693 CO 0.09 -0.36 0.90 0.08 -0.36 0.00 0.00 175.35 175.69 1k2m s VAL 694 N 1.71 4.83 -0.21 4.02 1.01 0.31 -1.00 120.40 131.07 1k2m s VAL 694 Ca 0.06 1.77 -0.02 0.00 0.00 0.00 0.00 61.98 63.79 1k2m s VAL 694 Cb -0.17 -4.20 0.07 0.00 0.00 0.00 0.00 36.38 32.08 1k2m s VAL 694 CO 0.10 -0.00 0.03 -0.70 0.00 0.00 0.00 175.10 174.53 1k2m s GLU 695 N 2.25 0.75 -0.51 2.72 -6.30 0.46 0.14 118.70 118.21 1k2m s GLU 695 Ca 0.41 -0.56 -0.28 0.00 -2.50 0.00 0.00 54.97 52.05 1k2m s GLU 695 Cb -0.17 -2.13 0.00 0.00 0.00 0.00 0.00 34.13 31.83 1k2m s GLU 695 CO 0.13 -0.68 1.56 0.42 0.02 0.00 0.00 175.26 176.70 1k2m s ILE 696 N 1.79 3.68 -0.17 -3.70 1.01 -1.26 0.14 121.20 122.68 1k2m s ILE 696 Ca -0.00 0.59 -0.16 0.00 0.00 0.00 0.00 60.65 61.09 1k2m s ILE 696 Cb -0.17 -4.18 -0.22 0.00 0.01 0.00 0.00 42.46 37.90 1k2m s ILE 696 CO -0.10 -0.93 0.27 0.59 0.00 0.00 0.00 174.94 174.77 1k2m n ASN 697 N 10.13 1.97 -4.57 3.58 3.02 0.20 -4.91 115.26 124.68 1k2m n ASN 697 Ca 0.16 0.34 -0.33 0.00 -0.03 0.00 0.00 54.58 54.72 1k2m n ASN 697 Cb 0.49 -0.93 -0.11 0.00 -0.61 0.00 0.00 39.78 38.62 1k2m n ASN 697 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1k2m s ASP 698 N -6.94 4.52 -0.38 6.41 -1.08 -1.01 -5.03 116.67 113.16 1k2m s ASP 698 Ca -0.26 -0.09 -0.01 0.00 -0.52 0.00 0.00 52.55 51.67 1k2m s ASP 698 Cb 0.06 -1.08 0.10 0.00 -1.46 0.00 0.00 42.92 40.54 1k2m s ASP 698 CO 0.66 0.34 0.14 0.42 0.52 0.00 0.00 175.17 177.25 1k2m s THR 699 N -0.84 3.01 -0.64 1.71 -4.23 -1.26 -4.35 115.64 109.04 1k2m s THR 699 Ca 0.13 -2.01 -0.09 0.00 -1.18 0.00 0.00 61.69 58.54 1k2m s THR 699 Cb -0.11 -3.04 -0.08 0.00 1.34 0.00 0.00 72.50 70.61 1k2m s THR 699 CO 0.03 -0.57 1.80 0.41 -0.54 0.00 0.00 174.62 175.75 1k2m n THR 700 N 4.52 1.65 -3.69 3.99 -1.04 -1.26 -4.26 114.28 114.20 1k2m n THR 700 Ca -0.03 -1.08 -0.22 0.00 -2.04 0.00 0.00 64.05 60.69 1k2m n THR 700 Cb 0.42 -2.02 0.03 0.00 -1.82 0.00 0.00 70.33 66.94 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 4.03 -0.39 3.73 3.41 0.00 -1.26 -4.93 105.19 109.78 1k2m n GLY 701 Ca 0.36 0.18 -0.29 0.00 0.00 0.00 0.00 46.02 46.27 1k2m n GLY 701 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1k2m s LEU 702 N -6.60 2.70 -0.08 0.99 2.34 -1.26 -4.55 118.68 112.23 1k2m s LEU 702 Ca 0.07 -1.39 -0.29 0.00 0.06 0.00 0.00 54.13 52.57 1k2m s LEU 702 Cb -0.02 -1.00 -0.06 0.00 -0.56 0.00 0.00 46.19 44.55 1k2m s LEU 702 CO 0.82 -0.70 1.75 0.72 -1.06 0.00 0.00 176.35 177.87 1k2m s PHE 703 N -2.75 1.81 0.00 3.48 -0.71 -1.24 -4.39 117.98 114.17 1k2m s PHE 703 Ca 0.26 0.15 0.00 0.00 -1.04 0.00 0.00 56.93 56.30 1k2m s PHE 703 Cb 0.04 -3.99 0.00 0.00 -1.21 0.00 0.00 43.02 37.86 1k2m s PHE 703 CO 0.14 -4.04 0.00 -1.71 -1.34 0.00 0.00 175.22 168.27 1k2m n ASN 704 N 7.76 0.00 0.00 1.98 5.15 -1.26 -3.57 115.26 125.32 1k2m n ASN 704 Ca 0.19 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.17 1k2m n ASN 704 Cb 0.43 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.68 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 0.00 0.00 0.00 1.20 0.28 -1.26 -4.94 120.64 115.92 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 -1.65 0.04 -1.84 0.00 -1.23 -4.70 105.19 95.80 1k2m n GLY 706 Ca 0.00 0.85 0.07 0.00 0.00 0.00 0.00 46.02 46.94 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 0.83 0.00 0.99 -0.00 -1.26 0.22 117.00 117.78 1k2m n LEU 707 Ca 0.00 -0.53 0.00 0.00 -0.00 0.00 0.00 56.01 55.48 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 0.20 0.00 0.61 -0.00 0.00 0.00 177.39 178.20 1k2m n GLY 708 N 1.35 0.94 2.10 -3.96 0.00 -1.26 -4.96 105.19 99.41 1k2m n GLY 708 Ca 0.03 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.08 1k2m n GLY 708 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1k2m n MET 709 N 0.00 -5.57 0.00 1.61 0.00 -1.26 -5.09 117.12 106.80 1k2m n MET 709 Ca 0.00 3.93 0.00 0.00 0.00 0.00 0.00 57.70 61.63 1k2m n MET 709 Cb 0.00 -4.27 0.00 0.00 0.00 0.00 0.00 33.22 28.95 1k2m n MET 709 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 175.97 177.44 1k2m n LEU 710 N 1.92 0.00 -0.01 -0.89 -0.00 -1.26 -5.05 117.00 111.71 1k2m n LEU 710 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 55.89 1k2m n LEU 710 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.36 1k2m n LEU 710 CO 0.00 0.00 0.59 1.56 -0.00 0.00 0.00 177.39 179.54 1k2m h GLN 711 N 0.00 -0.44 -6.75 1.47 7.50 -2.06 -3.40 115.11 111.43 1k2m h GLN 711 Ca 0.00 0.03 -0.49 0.00 0.50 0.00 0.00 58.65 58.69 1k2m h GLN 711 Cb 0.00 0.10 -0.02 0.00 0.05 0.00 0.00 27.48 27.61 1k2m h GLN 711 CO 0.00 -0.30 0.34 -1.21 -1.50 0.00 0.00 178.83 176.16 1k2m s GLU 712 N -5.90 4.80 -0.71 1.46 8.01 -1.26 -4.99 118.70 120.11 1k2m s GLU 712 Ca -0.15 1.44 -0.26 0.00 0.01 0.00 0.00 54.97 56.01 1k2m s GLU 712 Cb 0.10 -3.22 0.04 0.00 -4.31 0.00 0.00 34.13 26.74 1k2m s GLU 712 CO 0.65 0.50 1.19 -0.65 0.01 0.00 0.00 175.26 176.95 1k2m s GLN 713 N -1.28 3.17 -0.38 1.61 -0.21 -1.26 -4.51 119.66 116.81 1k2m s GLN 713 Ca 0.42 -0.40 -0.31 0.00 0.02 0.00 0.00 55.36 55.08 1k2m s GLN 713 Cb -0.25 -4.19 0.05 0.00 1.00 0.00 0.00 33.01 29.62 1k2m s GLN 713 CO 0.31 -2.04 0.55 0.54 -2.12 0.00 0.00 175.29 172.52 1k2m n ARG 714 N 8.87 -1.73 -4.30 2.91 5.12 -1.26 -5.00 116.66 121.28 1k2m n ARG 714 Ca 0.01 1.39 -0.24 0.00 -1.93 0.00 0.00 57.85 57.08 1k2m n ARG 714 Cb 0.48 -2.16 -0.12 0.00 -1.16 0.00 0.00 32.46 29.49 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 -1.47 1.75 -0.30 1.55 -7.23 -1.26 -4.94 120.40 108.50 1k2m s VAL 715 Ca 0.31 -1.59 -0.25 0.00 -1.81 0.00 0.00 61.98 58.64 1k2m s VAL 715 Cb -0.04 -1.61 0.00 0.00 0.56 0.00 0.00 36.38 35.30 1k2m s VAL 715 CO 0.73 -0.07 0.87 -0.69 -0.31 0.00 0.00 175.10 175.63 1k2m s VAL 716 N -1.23 4.73 0.45 1.32 1.01 -1.26 -4.75 120.40 120.66 1k2m s VAL 716 Ca 0.08 1.40 -0.03 0.00 0.00 0.00 0.00 61.98 63.43 1k2m s VAL 716 Cb -0.10 -4.21 -0.02 0.00 0.00 0.00 0.00 36.38 32.05 1k2m s VAL 716 CO 0.05 -0.28 0.71 -0.76 0.00 0.00 0.00 175.10 174.82 1k2m s LEU 717 N 3.12 3.69 0.04 3.92 1.02 0.65 -4.88 118.68 126.23 1k2m s LEU 717 Ca 0.36 0.65 0.01 0.00 0.02 0.00 0.00 54.13 55.17 1k2m s LEU 717 Cb -0.14 -3.55 -0.04 0.00 0.02 0.00 0.00 46.19 42.48 1k2m s LEU 717 CO 0.12 -0.58 0.12 -0.54 0.02 0.00 0.00 176.35 175.49 1k2m s LYS 718 N -4.62 3.13 0.29 1.70 1.02 -1.26 0.13 119.74 120.13 1k2m s LYS 718 Ca 0.46 -0.53 0.03 0.00 0.02 0.00 0.00 55.97 55.95 1k2m s LYS 718 Cb -0.10 -2.88 -0.03 0.00 -0.52 0.00 0.00 37.83 34.30 1k2m s LYS 718 CO 0.41 0.61 0.45 -0.65 -0.92 0.00 0.00 175.35 175.26 1k2m s GLN 719 N -2.19 3.45 0.17 1.68 -0.21 -1.05 -4.75 119.66 116.77 1k2m s GLN 719 Ca 0.29 -0.57 0.00 0.00 0.02 0.00 0.00 55.36 55.10 1k2m s GLN 719 Cb -0.12 -2.78 0.00 0.00 1.00 0.00 0.00 33.01 31.11 1k2m s GLN 719 CO 0.21 0.29 0.01 0.25 -2.12 0.00 0.00 175.29 173.92 1k2m n THR 720 N -1.59 0.00 -0.05 -0.19 -2.24 -1.26 -4.96 114.28 103.98 1k2m n THR 720 Ca -0.07 -0.81 0.23 0.00 -2.27 0.00 0.00 64.05 61.13 1k2m n THR 720 Cb 0.57 0.13 0.71 0.00 -2.10 0.00 0.00 70.33 69.63 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 1.06 2.59 -0.43 6.98 0.00 -2.00 0.38 119.26 127.84 1k2m h ALA 721 Ca -0.14 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1k2m h ALA 721 Cb 0.43 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1k2m h ALA 721 CO 0.23 -0.80 0.27 1.49 0.00 0.00 0.00 179.25 180.44 1k2m h GLU 722 N 0.00 0.59 0.02 0.00 4.57 -1.99 0.25 114.58 118.01 1k2m h GLU 722 Ca 0.30 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.43 1k2m h GLU 722 Cb 1.25 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.71 1k2m h GLU 722 CO -0.00 0.42 -0.01 1.49 -1.18 0.00 0.00 179.01 179.73 1k2m h GLU 723 N 0.58 -0.02 -0.66 1.92 4.22 -1.33 -2.84 114.58 116.45 1k2m h GLU 723 Ca 0.16 0.00 0.15 0.00 0.08 0.00 0.00 59.36 59.75 1k2m h GLU 723 Cb -0.02 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 1k2m h GLU 723 CO -0.03 0.36 0.45 0.87 -2.18 0.00 0.00 179.01 178.48 1k2m h LYS 724 N -0.40 0.25 -0.37 1.92 1.57 -1.23 0.87 116.57 119.17 1k2m h LYS 724 Ca -0.00 -0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 58.66 1k2m h LYS 724 Cb 0.39 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 1k2m h LYS 724 CO 0.00 0.16 -0.20 -0.44 -0.57 0.00 0.00 179.45 178.40 1k2m h ASP 725 N 0.25 0.72 -0.63 0.86 3.32 -0.76 -2.44 116.42 117.74 1k2m h ASP 725 Ca 0.32 -0.25 0.06 0.00 0.02 0.00 0.00 57.03 57.19 1k2m h ASP 725 Cb 0.89 -0.20 -0.06 0.00 0.22 0.00 0.00 39.33 40.19 1k2m h ASP 725 CO -0.07 0.91 0.33 -0.07 -1.72 0.00 0.00 179.24 178.62 1k2m h LEU 726 N 0.63 0.46 -0.56 1.55 3.38 -0.59 0.20 115.31 120.38 1k2m h LEU 726 Ca 0.09 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1k2m h LEU 726 Cb 0.69 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1k2m h LEU 726 CO 0.05 0.30 0.00 1.62 0.09 0.00 0.00 178.44 180.50 1k2m h VAL 727 N 0.60 0.00 -0.43 1.22 3.04 -1.44 -3.12 116.25 116.12 1k2m h VAL 727 Ca 0.29 -0.56 -0.04 0.00 -1.01 0.00 0.00 66.70 65.38 1k2m h VAL 727 Cb 0.22 1.49 -0.02 0.00 -2.01 0.00 0.00 31.29 30.97 1k2m h VAL 727 CO -0.20 0.00 0.10 0.50 -1.01 0.00 0.00 177.57 176.96 1k2m h LYS 728 N 0.00 0.63 -0.79 4.17 3.64 -0.46 -1.77 116.57 122.00 1k2m h LYS 728 Ca 0.00 -0.11 -0.17 0.00 -1.27 0.00 0.00 60.65 59.10 1k2m h LYS 728 Cb 0.65 -0.10 -0.10 0.00 -0.41 0.00 0.00 32.23 32.26 1k2m h LYS 728 CO 0.00 0.58 0.22 1.63 -2.27 0.00 0.00 179.45 179.61 1k2m n LYS 729 N -4.32 3.42 0.00 1.90 5.02 -1.17 -5.11 118.16 117.90 1k2m n LYS 729 Ca 0.03 -2.61 0.15 0.00 -2.02 0.00 0.00 58.31 53.85 1k2m n LYS 729 Cb 0.20 -2.09 0.88 0.00 -0.02 0.00 0.00 35.03 34.00 1k2m n LYS 729 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77