#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j4k n ASN 574 N 0.00 0.03 0.00 1.61 2.85 -1.26 -4.97 115.26 113.52 1j4k n ASN 574 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1j4k n ASN 574 Cb 0.00 1.74 0.00 0.00 1.24 0.00 0.00 39.78 42.76 1j4k n ASN 574 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1j4k n GLY 575 N 1.39 0.76 3.55 8.20 0.00 -1.26 -5.13 105.19 112.70 1j4k n GLY 575 Ca -0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 1j4k n GLY 575 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1j4k s ARG 576 N 0.00 2.47 -0.05 1.61 3.52 -1.26 -1.73 118.95 123.50 1j4k s ARG 576 Ca 0.00 -0.75 -0.01 0.00 -0.13 0.00 0.00 55.73 54.83 1j4k s ARG 576 Cb 0.00 -2.43 -0.03 0.00 -1.56 0.00 0.00 34.95 30.93 1j4k s ARG 576 CO 0.00 0.60 -0.06 0.34 -0.81 0.00 0.00 175.30 175.37 1j4k n PHE 577 N 1.73 0.00 -5.08 5.12 -0.00 -0.75 -3.66 117.46 114.81 1j4k n PHE 577 Ca -0.16 0.00 -0.30 0.00 -0.00 0.00 0.00 57.45 56.99 1j4k n PHE 577 Cb 0.52 -0.20 -0.15 0.00 -0.00 0.00 0.00 39.48 39.66 1j4k n PHE 577 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.76 175.59 1j4k s LEU 578 N -5.84 2.11 -0.22 -2.13 2.96 -1.15 -1.68 118.68 112.72 1j4k s LEU 578 Ca -0.07 -0.52 0.02 0.00 -0.22 0.00 0.00 54.13 53.33 1j4k s LEU 578 Cb 0.02 -1.29 0.04 0.00 0.50 0.00 0.00 46.19 45.47 1j4k s LEU 578 CO 0.11 0.28 -0.14 -0.89 -1.32 0.00 0.00 176.35 174.39 1j4k s THR 579 N -0.70 2.22 -0.41 3.68 2.01 0.43 0.83 115.64 123.70 1j4k s THR 579 Ca 0.11 -1.26 -0.13 0.00 0.31 0.00 0.00 61.69 60.71 1j4k s THR 579 Cb -0.10 -2.13 0.04 0.00 0.01 0.00 0.00 72.50 70.33 1j4k s THR 579 CO 0.01 0.24 0.29 -0.76 -0.69 0.00 0.00 174.62 173.70 1j4k s LEU 580 N 1.21 5.11 -0.39 4.42 1.43 0.35 0.12 118.68 130.93 1j4k s LEU 580 Ca -0.02 -1.12 -0.01 0.00 -1.03 0.00 0.00 54.13 51.96 1j4k s LEU 580 Cb -0.17 -2.10 0.11 0.00 0.03 0.00 0.00 46.19 44.06 1j4k s LEU 580 CO -0.08 -0.49 0.16 -1.59 0.23 0.00 0.00 176.35 174.58 1j4k s LYS 581 N 1.59 1.88 -0.83 1.70 -2.85 -0.43 0.27 119.74 121.08 1j4k s LYS 581 Ca 0.03 -1.81 -0.28 0.00 -1.00 0.00 0.00 55.97 52.91 1j4k s LYS 581 Cb -0.21 -3.47 -0.18 0.00 -2.06 0.00 0.00 37.83 31.92 1j4k s LYS 581 CO 0.07 -1.02 2.56 -2.30 0.10 0.00 0.00 175.35 174.76 1j4k n PRO 582 N 4.51 0.36 -1.71 1.78 -0.02 0.71 -2.84 135.00 137.77 1j4k n PRO 582 Ca -0.01 -0.03 -0.32 0.00 -2.02 0.00 0.00 63.50 61.12 1j4k n PRO 582 Cb 0.42 -2.19 0.04 0.00 -0.02 0.00 0.00 33.50 31.74 1j4k n PRO 582 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 1j4k s LEU 583 N 9.74 3.25 0.60 2.45 2.34 -1.10 -1.95 118.68 133.99 1j4k s LEU 583 Ca 1.22 1.69 0.28 0.00 0.06 0.00 0.00 54.13 57.38 1j4k s LEU 583 Cb -0.84 -4.51 1.35 0.00 -0.56 0.00 0.00 46.19 41.64 1j4k s LEU 583 CO 0.40 -1.37 1.76 1.55 -1.06 0.00 0.00 176.35 177.63 1j4k h PRO 584 N -0.36 0.00 0.00 1.48 0.13 -1.90 0.67 132.00 132.02 1j4k h PRO 584 Ca -0.45 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.67 1j4k h PRO 584 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 1j4k h PRO 584 CO 0.57 0.00 -0.08 0.22 -0.23 0.00 0.00 178.00 178.48 1j4k h ASP 585 N 0.00 0.00 -2.97 1.44 1.82 -1.91 -3.42 116.42 111.39 1j4k h ASP 585 Ca 0.26 0.00 -0.54 0.00 -0.39 0.00 0.00 57.03 56.37 1j4k h ASP 585 Cb 1.55 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.54 1j4k h ASP 585 CO -0.00 0.08 -0.29 -0.55 -1.61 0.00 0.00 179.24 176.87 1j4k s SER 586 N -6.66 6.41 0.10 2.28 0.15 0.23 -4.74 113.70 111.48 1j4k s SER 586 Ca -0.04 0.50 0.06 0.00 0.70 0.00 0.00 55.95 57.16 1j4k s SER 586 Cb 0.15 -2.05 0.32 0.00 -1.71 0.00 0.00 66.02 62.73 1j4k s SER 586 CO 0.63 -0.07 1.11 2.30 1.20 0.00 0.00 173.24 178.41 1j4k n ILE 587 N -0.64 1.42 -4.08 6.45 -5.35 -0.62 -4.37 119.36 112.17 1j4k n ILE 587 Ca -0.04 0.58 -0.35 0.00 -0.27 0.00 0.00 62.75 62.67 1j4k n ILE 587 Cb 0.54 -1.58 -0.13 0.00 -1.74 0.00 0.00 39.64 36.73 1j4k n ILE 587 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1j4k s ILE 588 N -3.04 3.76 -0.76 7.28 1.01 -1.26 -5.02 121.20 123.17 1j4k s ILE 588 Ca -0.01 -0.38 0.02 0.00 0.00 0.00 0.00 60.65 60.28 1j4k s ILE 588 Cb 0.02 -2.70 0.35 0.00 0.01 0.00 0.00 42.46 40.14 1j4k s ILE 588 CO 0.05 0.43 1.50 0.00 0.00 0.00 0.00 174.94 176.92 1j4k n GLN 589 N 4.33 3.92 -4.55 2.79 3.00 -1.25 -3.59 117.38 122.03 1j4k n GLN 589 Ca -0.17 -4.46 -0.25 0.00 -0.01 0.00 0.00 57.00 52.11 1j4k n GLN 589 Cb 0.52 -2.33 -0.10 0.00 0.00 0.00 0.00 30.24 28.33 1j4k n GLN 589 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 1j4k s GLU 590 N -3.90 1.84 -0.06 -1.09 2.02 -0.82 -4.98 118.70 111.70 1j4k s GLU 590 Ca 0.46 -2.06 0.03 0.00 0.02 0.00 0.00 54.97 53.42 1j4k s GLU 590 Cb 0.30 -1.19 0.01 0.00 0.10 0.00 0.00 34.13 33.35 1j4k s GLU 590 CO -0.20 -0.18 -0.14 -1.54 0.02 0.00 0.00 175.26 173.21 1j4k s SER 591 N -3.62 1.92 -0.04 -0.19 1.04 -1.26 -0.21 113.70 111.34 1j4k s SER 591 Ca 0.32 -0.32 0.03 0.00 0.48 0.00 0.00 55.95 56.45 1j4k s SER 591 Cb 0.08 -0.76 -0.03 0.00 0.10 0.00 0.00 66.02 65.41 1j4k s SER 591 CO 0.15 0.08 -0.10 -0.76 0.98 0.00 0.00 173.24 173.58 1j4k s LEU 592 N 0.43 2.97 -0.23 2.42 1.43 0.77 -4.93 118.68 121.53 1j4k s LEU 592 Ca -0.11 -0.14 0.01 0.00 -1.03 0.00 0.00 54.13 52.86 1j4k s LEU 592 Cb -0.14 -1.65 0.06 0.00 0.03 0.00 0.00 46.19 44.48 1j4k s LEU 592 CO 0.03 0.33 -0.08 -1.61 0.23 0.00 0.00 176.35 175.26 1j4k s GLU 593 N -0.96 1.85 -0.47 1.70 8.01 -1.26 0.13 118.70 127.70 1j4k s GLU 593 Ca 0.13 -1.05 -0.29 0.00 0.01 0.00 0.00 54.97 53.78 1j4k s GLU 593 Cb -0.11 -2.63 0.02 0.00 -4.31 0.00 0.00 34.13 27.10 1j4k s GLU 593 CO 0.03 -0.56 1.27 0.42 0.01 0.00 0.00 175.26 176.42 1j4k s ILE 594 N 1.32 4.05 -0.16 -1.63 1.01 0.24 -4.96 121.20 121.08 1j4k s ILE 594 Ca -0.06 1.05 -0.29 0.00 0.00 0.00 0.00 60.65 61.35 1j4k s ILE 594 Cb -0.19 -4.45 -0.04 0.00 0.01 0.00 0.00 42.46 37.79 1j4k s ILE 594 CO -0.06 -0.95 1.76 -1.10 0.00 0.00 0.00 174.94 174.59 1j4k s GLN 595 N 4.75 3.81 0.58 2.79 1.11 -1.26 -1.82 119.66 129.63 1j4k s GLN 595 Ca 0.53 1.93 0.33 0.00 0.01 0.00 0.00 55.36 58.16 1j4k s GLN 595 Cb -0.10 -4.09 1.37 0.00 -1.01 0.00 0.00 33.01 29.17 1j4k s GLN 595 CO 0.31 -1.29 1.67 -0.56 0.01 0.00 0.00 175.29 175.43 1j4k h GLN 596 N 11.15 0.00 0.00 2.91 -0.00 -1.60 1.05 115.11 128.62 1j4k h GLN 596 Ca -0.38 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.24 1j4k h GLN 596 Cb 1.18 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.66 1j4k h GLN 596 CO 0.98 0.00 -0.13 0.78 -0.00 0.00 0.00 178.83 180.46 1j4k h GLY 597 N 0.00 0.00 -7.58 0.06 0.00 -1.88 -3.42 103.07 90.25 1j4k h GLY 597 Ca 0.46 0.00 -0.64 0.00 0.00 0.00 0.00 47.33 47.15 1j4k h GLY 597 CO -0.00 0.00 -0.37 0.14 0.00 0.00 0.00 176.54 176.31 1j4k s VAL 598 N -3.62 5.23 -0.04 4.60 1.01 0.36 -5.05 120.40 122.89 1j4k s VAL 598 Ca 0.01 0.27 -0.02 0.00 0.00 0.00 0.00 61.98 62.25 1j4k s VAL 598 Cb 0.09 -3.66 0.03 0.00 0.00 0.00 0.00 36.38 32.84 1j4k s VAL 598 CO 0.61 0.13 0.04 0.21 0.00 0.00 0.00 175.10 176.09 1j4k s ASN 599 N 1.71 1.04 0.43 3.32 2.47 -1.26 -3.97 114.94 118.68 1j4k s ASN 599 Ca 0.11 0.05 -0.03 0.00 0.42 0.00 0.00 52.86 53.41 1j4k s ASN 599 Cb -0.16 -0.18 -0.03 0.00 -1.45 0.00 0.00 41.25 39.43 1j4k s ASN 599 CO 0.11 -0.22 0.70 -2.16 -3.72 0.00 0.00 177.10 171.80 1j4k s PRO 600 N 1.95 3.47 -0.33 0.43 0.04 -1.26 -5.03 135.00 134.27 1j4k s PRO 600 Ca 0.03 -0.04 -0.20 0.00 0.04 0.00 0.00 61.00 60.82 1j4k s PRO 600 Cb -0.12 -2.49 -0.00 0.00 0.04 0.00 0.00 34.50 31.93 1j4k s PRO 600 CO -0.03 -0.09 0.61 0.12 0.04 0.00 0.00 177.00 177.64 1j4k s PHE 601 N -2.58 3.18 -0.01 0.56 2.19 0.33 -4.87 117.98 116.78 1j4k s PHE 601 Ca 0.45 0.41 -0.16 0.00 0.33 0.00 0.00 56.93 57.96 1j4k s PHE 601 Cb -0.10 -3.04 -0.06 0.00 -1.31 0.00 0.00 43.02 38.51 1j4k s PHE 601 CO 0.41 -0.55 0.45 -0.06 1.83 0.00 0.00 175.22 177.30 1j4k s PHE 602 N 2.61 3.70 0.03 10.12 0.08 -1.26 0.12 117.98 133.38 1j4k s PHE 602 Ca 0.24 1.02 0.07 0.00 0.12 0.00 0.00 56.93 58.37 1j4k s PHE 602 Cb -0.15 -2.37 -0.02 0.00 -0.57 0.00 0.00 43.02 39.91 1j4k s PHE 602 CO 0.13 0.55 -0.19 0.42 -0.10 0.00 0.00 175.22 176.03 1j4k s ILE 603 N -0.77 1.54 -3.09 0.64 1.09 0.31 0.15 121.20 121.08 1j4k s ILE 603 Ca 0.25 -1.05 0.00 0.00 -1.10 0.00 0.00 60.65 58.75 1j4k s ILE 603 Cb -0.17 -1.33 0.00 0.00 -1.06 0.00 0.00 42.46 39.90 1j4k s ILE 603 CO 0.14 0.25 0.00 0.61 -0.10 0.00 0.00 174.94 175.84 1j4k n GLY 604 N 2.09 -1.71 0.04 6.18 0.00 -1.15 -1.89 105.19 108.75 1j4k n GLY 604 Ca -0.17 -1.12 0.15 0.00 0.00 0.00 0.00 46.02 44.88 1j4k n GLY 604 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1j4k n ARG 605 N -0.25 0.64 -3.79 1.61 0.63 -0.59 -1.17 116.66 113.73 1j4k n ARG 605 Ca 0.00 -0.08 -0.35 0.00 -0.92 0.00 0.00 57.85 56.50 1j4k n ARG 605 Cb 0.00 -1.50 -0.09 0.00 0.45 0.00 0.00 32.46 31.33 1j4k n ARG 605 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 1j4k s SER 606 N -2.41 6.04 0.60 6.15 0.01 -1.17 -4.78 113.70 118.13 1j4k s SER 606 Ca 0.33 0.18 0.29 0.00 1.31 0.00 0.00 55.95 58.05 1j4k s SER 606 Cb 0.21 -2.06 1.53 0.00 0.21 0.00 0.00 66.02 65.91 1j4k s SER 606 CO 0.44 0.16 1.94 -0.08 0.41 0.00 0.00 173.24 176.12 1j4k h GLU 607 N 6.78 0.00 -0.29 12.44 4.22 -1.90 0.12 114.58 135.96 1j4k h GLU 607 Ca -0.40 0.00 0.08 0.00 0.08 0.00 0.00 59.36 59.13 1j4k h GLU 607 Cb 1.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 1j4k h GLU 607 CO 0.73 0.00 0.23 -0.44 -2.18 0.00 0.00 179.01 177.36 1j4k h ASP 608 N 0.00 0.00 -3.30 1.04 5.19 -1.92 -3.41 116.42 114.02 1j4k h ASP 608 Ca 0.17 0.00 -0.53 0.00 -0.62 0.00 0.00 57.03 56.04 1j4k h ASP 608 Cb 0.98 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.49 1j4k h ASP 608 CO -0.00 0.00 0.52 0.00 -3.12 0.00 0.00 179.24 176.64 1j4k h ASN 610 N 6.40 0.11 -3.36 0.00 4.21 -0.67 -3.37 115.58 118.91 1j4k h ASN 610 Ca -0.42 0.04 -0.67 0.00 1.21 0.00 0.00 56.30 56.45 1j4k h ASN 610 Cb 1.21 0.02 -0.16 0.00 -1.12 0.00 0.00 38.32 38.27 1j4k h ASN 610 CO 0.78 -0.02 -0.63 0.00 -1.29 0.00 0.00 177.43 176.28 1j4k s LYS 612 N -0.66 2.64 -0.18 0.00 2.36 -1.26 -2.95 119.74 119.69 1j4k s LYS 612 Ca 0.10 -1.13 -0.04 0.00 -2.55 0.00 0.00 55.97 52.35 1j4k s LYS 612 Cb -0.12 -3.19 0.06 0.00 -1.05 0.00 0.00 37.83 33.53 1j4k s LYS 612 CO 0.02 -0.55 0.07 0.42 1.55 0.00 0.00 175.35 176.86 1j4k s ILE 613 N 1.32 0.16 -0.58 5.43 -1.09 -0.32 -4.98 121.20 121.15 1j4k s ILE 613 Ca -0.02 -0.34 -0.23 0.00 -2.23 0.00 0.00 60.65 57.83 1j4k s ILE 613 Cb -0.19 -0.77 0.05 0.00 -1.58 0.00 0.00 42.46 39.98 1j4k s ILE 613 CO -0.01 -0.27 0.91 -1.61 -1.23 0.00 0.00 174.94 172.73 1j4k s GLU 614 N 2.03 3.24 -0.19 2.79 2.02 -1.26 -2.62 118.70 124.71 1j4k s GLU 614 Ca 0.01 -0.50 -0.01 0.00 0.02 0.00 0.00 54.97 54.49 1j4k s GLU 614 Cb -0.16 -4.11 0.05 0.00 0.10 0.00 0.00 34.13 30.01 1j4k s GLU 614 CO -0.09 -1.55 -0.01 0.34 0.02 0.00 0.00 175.26 173.97 1j4k s ASP 615 N 3.06 3.03 0.44 -0.19 2.15 -1.26 -5.01 116.67 118.89 1j4k s ASP 615 Ca 0.26 -0.82 0.30 0.00 0.43 0.00 0.00 52.55 52.72 1j4k s ASP 615 Cb -0.15 -0.81 1.42 0.00 -0.30 0.00 0.00 42.92 43.08 1j4k s ASP 615 CO 0.16 -0.25 1.62 0.78 -0.17 0.00 0.00 175.17 177.31 1j4k h ASN 616 N 8.15 0.25 0.38 -0.34 2.35 -2.02 0.95 115.58 125.29 1j4k h ASN 616 Ca -0.19 0.14 -0.26 0.00 -0.55 0.00 0.00 56.30 55.44 1j4k h ASN 616 Cb 1.11 0.13 0.01 0.00 0.05 0.00 0.00 38.32 39.61 1j4k h ASN 616 CO 0.37 -0.18 -1.11 0.03 -1.65 0.00 0.00 177.43 174.89 1j4k h ARG 617 N 0.09 0.42 -7.27 0.81 2.47 -2.00 -3.46 114.38 105.44 1j4k h ARG 617 Ca 0.82 -0.54 -0.52 0.00 -1.26 0.00 0.00 59.98 58.47 1j4k h ARG 617 Cb 2.56 0.18 0.18 0.00 -1.65 0.00 0.00 29.97 31.24 1j4k h ARG 617 CO -0.42 1.21 0.25 -0.51 0.56 0.00 0.00 179.97 181.06 1j4k s LEU 618 N -7.58 2.91 0.39 3.04 1.02 0.33 -4.79 118.68 114.00 1j4k s LEU 618 Ca -0.06 2.15 0.08 0.00 0.02 0.00 0.00 54.13 56.31 1j4k s LEU 618 Cb 0.07 -4.56 -0.04 0.00 0.02 0.00 0.00 46.19 41.68 1j4k s LEU 618 CO 0.89 -2.88 0.23 -0.44 0.02 0.00 0.00 176.35 174.17 1j4k s SER 619 N -2.74 4.69 0.21 2.29 0.01 -1.26 -4.76 113.70 112.14 1j4k s SER 619 Ca 0.66 -0.89 -0.14 0.00 1.31 0.00 0.00 55.95 56.89 1j4k s SER 619 Cb -0.22 -0.58 0.23 0.00 0.21 0.00 0.00 66.02 65.65 1j4k s SER 619 CO 0.57 -0.51 1.62 0.03 0.41 0.00 0.00 173.24 175.36 1j4k h ARG 620 N 1.34 -0.02 -2.17 12.44 -0.00 -1.93 -1.41 114.38 122.62 1j4k h ARG 620 Ca -0.43 0.00 -0.59 0.00 -0.50 0.00 0.00 59.98 58.46 1j4k h ARG 620 Cb 1.26 0.01 -0.42 0.00 0.00 0.00 0.00 29.97 30.81 1j4k h ARG 620 CO 0.64 -0.02 -0.63 0.28 0.00 0.00 0.00 179.97 180.25 1j4k n VAL 621 N -5.44 3.02 -0.21 2.04 0.31 -1.26 -3.06 118.33 113.73 1j4k n VAL 621 Ca 0.07 -5.49 0.00 0.00 -0.01 0.00 0.00 64.34 58.91 1j4k n VAL 621 Cb 0.34 -1.38 0.09 0.00 -0.91 0.00 0.00 33.84 31.97 1j4k n VAL 621 CO 0.00 0.00 0.00 -0.74 -1.32 0.00 0.00 176.83 174.77 1j4k h HIS 622 N 2.94 -0.15 -2.24 3.52 2.76 -1.06 -3.35 115.15 117.56 1j4k h HIS 622 Ca 0.16 0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.38 1j4k h HIS 622 Cb 0.56 0.16 -0.17 0.00 1.55 0.00 0.00 27.41 29.51 1j4k h HIS 622 CO 0.84 -0.21 0.31 0.00 -1.30 0.00 0.00 177.93 177.57 1j4k s PHE 624 N -2.18 0.04 -0.15 0.00 -0.12 0.40 0.12 117.98 116.09 1j4k s PHE 624 Ca -0.04 -0.10 -0.07 0.00 -0.05 0.00 0.00 56.93 56.67 1j4k s PHE 624 Cb -0.01 -0.05 -0.04 0.00 -0.63 0.00 0.00 43.02 42.29 1j4k s PHE 624 CO -0.01 -0.20 0.10 0.42 -0.05 0.00 0.00 175.22 175.48 1j4k s ILE 625 N -1.00 5.17 -0.06 -4.49 1.01 0.32 0.19 121.20 122.33 1j4k s ILE 625 Ca -0.11 0.09 0.04 0.00 0.00 0.00 0.00 60.65 60.67 1j4k s ILE 625 Cb -0.06 -3.29 0.00 0.00 0.01 0.00 0.00 42.46 39.11 1j4k s ILE 625 CO 0.01 0.53 -0.18 0.12 0.00 0.00 0.00 174.94 175.41 1j4k s PHE 626 N -0.26 1.86 -0.11 3.97 5.36 0.55 0.12 117.98 129.47 1j4k s PHE 626 Ca 0.10 -0.62 -0.10 0.00 -0.96 0.00 0.00 56.93 55.34 1j4k s PHE 626 Cb -0.12 -1.27 -0.05 0.00 -0.34 0.00 0.00 43.02 41.25 1j4k s PHE 626 CO 0.01 -0.24 0.23 0.21 -1.46 0.00 0.00 175.22 173.97 1j4k s LYS 627 N 0.23 3.81 0.09 10.12 2.20 -1.26 0.20 119.74 135.14 1j4k s LYS 627 Ca -0.09 0.02 0.02 0.00 -0.36 0.00 0.00 55.97 55.56 1j4k s LYS 627 Cb -0.14 -3.28 -0.04 0.00 -1.51 0.00 0.00 37.83 32.86 1j4k s LYS 627 CO 0.04 0.58 -0.07 0.21 -0.36 0.00 0.00 175.35 175.75 1j4k s LYS 628 N -0.54 0.81 -0.37 4.03 2.36 0.22 -4.93 119.74 121.32 1j4k s LYS 628 Ca 0.16 -1.26 -0.29 0.00 -2.55 0.00 0.00 55.97 52.03 1j4k s LYS 628 Cb -0.13 -0.25 0.01 0.00 -1.05 0.00 0.00 37.83 36.41 1j4k s LYS 628 CO 0.05 -0.00 1.28 0.50 1.55 0.00 0.00 175.35 178.73 1j4k s ARG 629 N -3.51 3.79 0.01 4.03 6.06 -1.26 0.16 118.95 128.23 1j4k s ARG 629 Ca 0.09 1.00 -0.30 0.00 -2.50 0.00 0.00 55.73 54.02 1j4k s ARG 629 Cb 0.03 -3.91 -0.04 0.00 0.06 0.00 0.00 34.95 31.09 1j4k s ARG 629 CO -0.04 -1.28 1.13 -1.58 -2.50 0.00 0.00 175.30 171.03 1j4k s HIS 630 N 4.62 3.46 -0.24 5.12 5.65 0.50 -4.87 115.29 129.52 1j4k s HIS 630 Ca 0.55 1.41 -0.08 0.00 0.25 0.00 0.00 55.06 57.20 1j4k s HIS 630 Cb -0.13 -3.32 0.11 0.00 -1.18 0.00 0.00 32.58 28.06 1j4k s HIS 630 CO 0.27 -0.86 0.51 0.00 -0.65 0.00 0.00 174.74 174.00 1j4k s ALA 631 N 1.34 -1.52 1.02 1.58 0.00 -1.26 -2.26 121.76 120.66 1j4k s ALA 631 Ca 0.56 1.80 -0.15 0.00 0.00 0.00 0.00 51.96 54.17 1j4k s ALA 631 Cb -0.25 -1.54 0.20 0.00 0.00 0.00 0.00 23.12 21.53 1j4k s ALA 631 CO 0.27 -0.86 1.17 0.14 0.00 0.00 0.00 175.76 176.47 1j4k s VAL 632 N 2.73 1.87 0.06 0.00 -7.23 -1.26 -4.99 120.40 111.58 1j4k s VAL 632 Ca -0.02 0.00 -0.19 0.00 -1.81 0.00 0.00 61.98 59.96 1j4k s VAL 632 Cb -0.12 -2.70 -0.13 0.00 0.56 0.00 0.00 36.38 33.99 1j4k s VAL 632 CO -0.15 0.00 1.37 1.23 -0.31 0.00 0.00 175.10 177.23 1j4k h GLY 633 N -1.90 0.49 -2.33 2.32 0.00 -2.02 -3.48 103.07 96.15 1j4k h GLY 633 Ca -0.48 -0.50 -0.02 0.00 0.00 0.00 0.00 47.33 46.34 1j4k h GLY 633 CO 0.48 0.45 0.01 0.54 0.00 0.00 0.00 176.54 178.01 1j4k s LYS 634 N -4.34 1.54 -0.49 4.80 1.02 -1.26 -5.12 119.74 115.89 1j4k s LYS 634 Ca -0.14 -1.06 0.03 0.00 0.02 0.00 0.00 55.97 54.83 1j4k s LYS 634 Cb 0.06 0.52 0.16 0.00 -0.52 0.00 0.00 37.83 38.05 1j4k s LYS 634 CO 0.77 -0.66 0.34 -1.54 -0.92 0.00 0.00 175.35 173.35 1j4k s SER 635 N -2.94 2.95 -0.34 2.83 1.04 -1.26 -4.88 113.70 111.09 1j4k s SER 635 Ca 0.15 -3.07 -0.19 0.00 0.48 0.00 0.00 55.95 53.32 1j4k s SER 635 Cb -0.02 -0.87 -0.00 0.00 0.10 0.00 0.00 66.02 65.22 1j4k s SER 635 CO 0.04 -0.19 0.57 -0.04 0.98 0.00 0.00 173.24 174.61 1j4k s MET 636 N -0.15 3.69 0.00 4.02 -1.94 -1.26 -4.66 119.30 119.01 1j4k s MET 636 Ca 0.26 -0.01 0.00 0.00 -1.71 0.00 0.00 55.69 54.23 1j4k s MET 636 Cb -0.08 -3.79 0.00 0.00 2.01 0.00 0.00 34.83 32.97 1j4k s MET 636 CO -0.12 -0.66 0.00 0.66 -0.01 0.00 0.00 175.02 174.89 1j4k n TYR 637 N 5.86 0.00 -2.57 -0.03 4.01 -1.26 -4.83 117.16 118.34 1j4k n TYR 637 Ca -0.03 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.33 1j4k n TYR 637 Cb 0.49 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.47 1j4k n TYR 637 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1j4k s GLU 638 N 0.00 4.35 -0.55 -0.72 2.12 -1.26 -5.01 118.70 117.63 1j4k s GLU 638 Ca 0.00 1.55 -0.16 0.00 0.36 0.00 0.00 54.97 56.71 1j4k s GLU 638 Cb 0.00 -2.75 0.13 0.00 0.26 0.00 0.00 34.13 31.77 1j4k s GLU 638 CO 0.00 0.02 0.54 -1.12 -0.54 0.00 0.00 175.26 174.16 1j4k s SER 639 N -1.41 6.20 0.27 -1.70 0.01 -1.26 -4.72 113.70 111.09 1j4k s SER 639 Ca 0.53 -1.75 0.00 0.00 1.31 0.00 0.00 55.95 56.04 1j4k s SER 639 Cb -0.24 -2.22 0.00 0.00 0.21 0.00 0.00 66.02 63.77 1j4k s SER 639 CO 0.30 -0.90 0.00 -0.81 0.41 0.00 0.00 173.24 172.25 1j4k n PRO 640 N 5.40 0.54 -0.05 12.44 -0.04 -1.26 -4.82 135.00 147.21 1j4k n PRO 640 Ca -0.13 0.00 0.25 0.00 -0.04 0.00 0.00 63.50 63.58 1j4k n PRO 640 Cb 0.40 0.00 0.67 0.00 -0.04 0.00 0.00 33.50 34.54 1j4k n PRO 640 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1j4k h ALA 641 N -2.00 2.48 -0.01 0.55 0.00 -1.94 -3.45 119.26 114.89 1j4k h ALA 641 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1j4k h ALA 641 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1j4k h ALA 641 CO 0.00 -1.06 0.00 0.94 0.00 0.00 0.00 179.25 179.13 1j4k n GLN 642 N -3.66 0.00 0.00 0.00 7.27 -1.26 -3.88 117.38 115.85 1j4k n GLN 642 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.21 1j4k n GLN 642 Cb 0.94 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.59 1j4k n GLN 642 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1j4k n GLY 643 N 0.00 -1.81 0.00 1.69 0.00 -1.25 -4.68 105.19 99.14 1j4k n GLY 643 Ca 0.00 0.87 0.00 0.00 0.00 0.00 0.00 46.02 46.89 1j4k n GLY 643 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1j4k n LEU 644 N 0.00 0.00 -4.37 0.99 4.32 -0.96 -4.87 117.00 112.11 1j4k n LEU 644 Ca 0.00 0.00 -0.30 0.00 -0.02 0.00 0.00 56.01 55.69 1j4k n LEU 644 Cb 0.00 0.00 -0.14 0.00 -1.62 0.00 0.00 43.42 41.66 1j4k n LEU 644 CO 0.00 -0.03 -0.56 -1.81 -1.22 0.00 0.00 177.39 173.77 1j4k s ASP 645 N -0.23 3.29 0.17 -1.43 1.11 -0.87 0.19 116.67 118.90 1j4k s ASP 645 Ca 0.00 -0.65 0.06 0.00 0.18 0.00 0.00 52.55 52.14 1j4k s ASP 645 Cb 0.00 -0.29 -0.05 0.00 1.07 0.00 0.00 42.92 43.66 1j4k s ASP 645 CO 0.00 0.22 -0.12 -1.81 1.18 0.00 0.00 175.17 174.64 1j4k s ASP 646 N -1.62 2.16 -0.20 0.27 1.01 0.41 -3.96 116.67 114.74 1j4k s ASP 646 Ca 0.13 -1.02 -0.05 0.00 0.71 0.00 0.00 52.55 52.33 1j4k s ASP 646 Cb -0.10 -0.07 -0.02 0.00 1.01 0.00 0.00 42.92 43.74 1j4k s ASP 646 CO 0.04 -0.25 -0.00 0.27 0.21 0.00 0.00 175.17 175.43 1j4k s ILE 647 N -3.16 3.93 -0.10 0.77 -4.36 -1.26 0.72 121.20 117.74 1j4k s ILE 647 Ca 0.19 -0.32 -0.03 0.00 -0.26 0.00 0.00 60.65 60.23 1j4k s ILE 647 Cb 0.01 -2.77 -0.03 0.00 1.25 0.00 0.00 42.46 40.91 1j4k s ILE 647 CO 0.03 0.43 0.02 0.26 0.24 0.00 0.00 174.94 175.92 1j4k s TRP 648 N 0.99 3.20 -0.31 1.37 0.52 0.52 -1.49 118.94 123.75 1j4k s TRP 648 Ca 0.02 0.19 -0.14 0.00 0.02 0.00 0.00 56.10 56.18 1j4k s TRP 648 Cb -0.14 -1.83 -0.03 0.00 -1.15 0.00 0.00 33.47 30.32 1j4k s TRP 648 CO 0.02 0.44 0.31 -0.47 0.02 0.00 0.00 176.95 177.27 1j4k s TYR 649 N -0.74 3.22 -0.15 -1.98 6.14 0.26 0.20 117.35 124.31 1j4k s TYR 649 Ca 0.12 0.11 -0.05 0.00 0.64 0.00 0.00 57.07 57.89 1j4k s TYR 649 Cb -0.12 -2.55 -0.03 0.00 0.42 0.00 0.00 41.96 39.68 1j4k s TYR 649 CO 0.02 -0.30 0.02 0.00 0.64 0.00 0.00 175.55 175.92 1j4k s HIS 651 N 0.04 2.89 0.00 0.00 2.46 -0.66 0.15 115.29 120.18 1j4k s HIS 651 Ca 0.03 -0.79 0.00 0.00 0.47 0.00 0.00 55.06 54.77 1j4k s HIS 651 Cb -0.13 -1.97 0.00 0.00 -0.13 0.00 0.00 32.58 30.35 1j4k s HIS 651 CO 0.02 -0.37 0.93 0.25 -2.47 0.00 0.00 174.74 173.09 1j4k n THR 652 N 4.13 0.86 -3.07 0.89 -2.24 0.16 0.11 114.28 115.11 1j4k n THR 652 Ca -0.18 -0.89 -0.35 0.00 -2.27 0.00 0.00 64.05 60.36 1j4k n THR 652 Cb 0.52 0.58 -0.06 0.00 -2.10 0.00 0.00 70.33 69.26 1j4k n THR 652 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1j4k s GLY 653 N -0.86 2.50 0.30 3.38 0.00 0.71 -4.77 107.32 108.58 1j4k s GLY 653 Ca 0.00 0.16 0.26 0.00 0.00 0.00 0.00 44.72 45.14 1j4k s GLY 653 CO 0.00 0.46 1.74 -0.84 0.00 0.00 0.00 173.10 174.46 1j4k h THR 654 N 2.37 0.00 -0.04 0.90 2.02 -1.93 -3.08 112.91 113.15 1j4k h THR 654 Ca -0.48 -0.57 0.00 0.00 0.77 0.00 0.00 66.41 66.13 1j4k h THR 654 Cb 1.18 1.53 0.00 0.00 -1.74 0.00 0.00 68.15 69.13 1j4k h THR 654 CO 0.65 0.00 0.00 0.59 0.37 0.00 0.00 175.52 177.13 1j4k n ASN 655 N -2.53 0.63 -1.69 4.18 3.02 -1.26 -4.89 115.26 112.72 1j4k n ASN 655 Ca 0.04 -1.36 0.00 0.00 -0.03 0.00 0.00 54.58 53.23 1j4k n ASN 655 Cb 0.42 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.57 1j4k n ASN 655 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 1j4k n VAL 656 N -0.44 -2.78 -3.43 2.41 3.14 -1.16 -4.91 118.33 111.15 1j4k n VAL 656 Ca 0.18 1.29 -0.19 0.00 -2.96 0.00 0.00 64.34 62.67 1j4k n VAL 656 Cb 0.19 -1.67 -0.00 0.00 -1.06 0.00 0.00 33.84 31.30 1j4k n VAL 656 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1j4k s SER 657 N -1.59 5.89 -0.15 6.55 1.04 0.23 -4.69 113.70 120.98 1j4k s SER 657 Ca 0.00 -0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.20 1j4k s SER 657 Cb 0.00 -1.14 0.02 0.00 0.10 0.00 0.00 66.02 65.00 1j4k s SER 657 CO 0.00 -0.47 -0.15 -0.31 0.98 0.00 0.00 173.24 173.29 1j4k s TYR 658 N -2.21 2.20 -0.53 5.02 2.02 0.61 -0.40 117.35 124.07 1j4k s TYR 658 Ca 0.46 -1.24 -0.15 0.00 -0.37 0.00 0.00 57.07 55.77 1j4k s TYR 658 Cb -0.09 -1.61 0.12 0.00 -0.40 0.00 0.00 41.96 39.98 1j4k s TYR 658 CO 0.31 -0.68 0.48 -1.17 -1.57 0.00 0.00 175.55 172.92 1j4k s LEU 659 N 1.47 6.10 0.00 -1.29 2.96 -0.34 0.26 118.68 127.84 1j4k s LEU 659 Ca 0.05 -1.77 0.00 0.00 -0.22 0.00 0.00 54.13 52.19 1j4k s LEU 659 Cb -0.13 -2.19 0.00 0.00 0.50 0.00 0.00 46.19 44.37 1j4k s LEU 659 CO -0.11 -0.83 0.00 0.59 -1.32 0.00 0.00 176.35 174.68 1j4k n ASN 660 N 5.21 0.00 0.00 3.68 4.13 -0.84 -0.49 115.26 126.94 1j4k n ASN 660 Ca -0.13 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.13 1j4k n ASN 660 Cb 0.40 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.64 1j4k n ASN 660 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1j4k n ASN 661 N 1.61 0.22 -4.64 6.41 3.02 -1.26 -5.04 115.26 115.58 1j4k n ASN 661 Ca 0.00 -1.09 -0.34 0.00 -0.03 0.00 0.00 54.58 53.12 1j4k n ASN 661 Cb 0.00 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.07 1j4k n ASN 661 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1j4k s ASN 662 N -0.09 4.97 0.30 6.41 -0.87 0.35 -5.10 114.94 120.92 1j4k s ASN 662 Ca 0.00 0.04 -0.28 0.00 -1.57 0.00 0.00 52.86 51.05 1j4k s ASN 662 Cb 0.00 -1.32 -0.09 0.00 -0.02 0.00 0.00 41.25 39.82 1j4k s ASN 662 CO 0.00 0.35 1.05 -0.60 -2.57 0.00 0.00 177.10 175.33 1j4k s ARG 663 N -1.03 4.59 -0.43 -0.60 3.52 -1.26 -1.20 118.95 122.54 1j4k s ARG 663 Ca 0.14 1.67 0.03 0.00 -0.13 0.00 0.00 55.73 57.44 1j4k s ARG 663 Cb -0.11 -3.07 0.12 0.00 -1.56 0.00 0.00 34.95 30.33 1j4k s ARG 663 CO 0.04 0.21 0.19 -1.64 -0.81 0.00 0.00 175.30 173.29 1j4k s MET 664 N -1.62 1.47 0.41 5.12 -1.94 0.46 -4.85 119.30 118.35 1j4k s MET 664 Ca 0.47 -2.06 -0.08 0.00 -1.71 0.00 0.00 55.69 52.30 1j4k s MET 664 Cb -0.28 -2.77 -0.05 0.00 2.01 0.00 0.00 34.83 33.73 1j4k s MET 664 CO 0.36 -1.08 0.74 0.96 -0.01 0.00 0.00 175.02 175.99 1j4k s ILE 665 N 0.40 4.85 -0.36 2.53 -4.36 -1.26 -0.60 121.20 122.40 1j4k s ILE 665 Ca 0.15 0.42 -0.39 0.00 -0.26 0.00 0.00 60.65 60.57 1j4k s ILE 665 Cb -0.23 -3.77 -0.15 0.00 1.25 0.00 0.00 42.46 39.56 1j4k s ILE 665 CO -0.05 -0.58 2.02 1.67 0.24 0.00 0.00 174.94 178.25 1j4k n GLN 666 N -1.50 0.84 -0.06 0.37 7.27 -1.24 -1.53 117.38 121.52 1j4k n GLN 666 Ca 0.01 0.26 0.00 0.00 0.07 0.00 0.00 57.00 57.34 1j4k n GLN 666 Cb 0.54 -2.11 0.00 0.00 2.41 0.00 0.00 30.24 31.08 1j4k n GLN 666 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1j4k n GLY 667 N 5.94 1.81 3.60 1.69 0.00 0.29 -4.96 105.19 113.56 1j4k n GLY 667 Ca 0.39 -0.02 -0.24 0.00 0.00 0.00 0.00 46.02 46.15 1j4k n GLY 667 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1j4k s THR 668 N -2.00 2.86 0.01 2.61 -4.23 -0.58 0.75 115.64 115.06 1j4k s THR 668 Ca 0.00 -2.06 0.02 0.00 -1.18 0.00 0.00 61.69 58.47 1j4k s THR 668 Cb 0.00 -2.70 -0.01 0.00 1.34 0.00 0.00 72.50 71.13 1j4k s THR 668 CO 0.00 -0.30 -0.05 -0.75 -0.54 0.00 0.00 174.62 172.97 1j4k s LYS 669 N -3.65 0.40 -0.05 3.99 2.20 0.27 -1.65 119.74 121.24 1j4k s LYS 669 Ca 0.33 -0.38 -0.11 0.00 -0.36 0.00 0.00 55.97 55.44 1j4k s LYS 669 Cb -0.03 -0.29 0.02 0.00 -1.51 0.00 0.00 37.83 36.02 1j4k s LYS 669 CO 0.18 0.07 0.26 0.12 -0.36 0.00 0.00 175.35 175.63 1j4k s PHE 670 N -0.61 -0.20 0.25 4.03 5.36 -0.23 0.12 117.98 126.69 1j4k s PHE 670 Ca -0.03 0.41 -0.30 0.00 -0.96 0.00 0.00 56.93 56.05 1j4k s PHE 670 Cb -0.05 0.07 -0.09 0.00 -0.34 0.00 0.00 43.02 42.61 1j4k s PHE 670 CO -0.00 -0.26 1.31 -1.17 -1.46 0.00 0.00 175.22 173.64 1j4k s LEU 671 N -0.66 4.43 -0.56 6.12 1.98 -1.26 0.90 118.68 129.62 1j4k s LEU 671 Ca -0.08 2.51 -0.07 0.00 -2.89 0.00 0.00 54.13 53.61 1j4k s LEU 671 Cb -0.04 -3.62 0.15 0.00 0.66 0.00 0.00 46.19 43.33 1j4k s LEU 671 CO 0.02 -0.52 0.41 -0.76 -1.89 0.00 0.00 176.35 173.61 1j4k s LEU 672 N -0.75 5.61 0.41 -0.68 1.43 -0.56 -4.84 118.68 119.31 1j4k s LEU 672 Ca 0.54 -2.36 -0.22 0.00 -1.03 0.00 0.00 54.13 51.06 1j4k s LEU 672 Cb -0.38 -1.95 -0.11 0.00 0.03 0.00 0.00 46.19 43.78 1j4k s LEU 672 CO 0.43 -0.54 0.95 -1.10 0.23 0.00 0.00 176.35 176.32 1j4k s GLN 673 N 0.68 4.29 -0.34 1.70 -0.21 -1.26 -4.65 119.66 119.87 1j4k s GLN 673 Ca 0.12 1.17 -0.37 0.00 0.02 0.00 0.00 55.36 56.30 1j4k s GLN 673 Cb -0.21 -2.31 -0.13 0.00 1.00 0.00 0.00 33.01 31.36 1j4k s GLN 673 CO -0.03 0.02 2.09 -3.47 -2.12 0.00 0.00 175.29 171.78 1j4k n ASP 674 N -0.39 2.11 -0.06 5.90 2.03 0.46 -0.82 116.55 125.77 1j4k n ASP 674 Ca 0.06 0.59 0.00 0.00 0.52 0.00 0.00 54.79 55.96 1j4k n ASP 674 Cb 0.53 -1.21 0.00 0.00 -0.72 0.00 0.00 41.12 39.72 1j4k n ASP 674 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1j4k n GLY 675 N 6.10 1.24 3.59 0.27 0.00 0.26 -4.93 105.19 111.71 1j4k n GLY 675 Ca 0.39 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 1j4k n GLY 675 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1j4k s ASP 676 N -2.20 6.55 -0.45 1.61 1.11 0.00 -4.73 116.67 118.56 1j4k s ASP 676 Ca 0.00 0.37 -0.18 0.00 0.18 0.00 0.00 52.55 52.92 1j4k s ASP 676 Cb 0.00 -2.39 0.04 0.00 1.07 0.00 0.00 42.92 41.64 1j4k s ASP 676 CO 0.00 -0.69 0.51 -1.61 1.18 0.00 0.00 175.17 174.56 1j4k s GLU 677 N 3.01 3.11 -0.16 8.23 2.02 -1.26 0.14 118.70 133.80 1j4k s GLU 677 Ca 0.30 -0.79 -0.05 0.00 0.02 0.00 0.00 54.97 54.45 1j4k s GLU 677 Cb -0.14 -4.01 -0.03 0.00 0.10 0.00 0.00 34.13 30.05 1j4k s GLU 677 CO 0.16 -0.98 0.01 0.42 0.02 0.00 0.00 175.26 174.89 1j4k s ILE 678 N 2.30 4.31 -0.34 -1.63 1.01 0.10 -1.99 121.20 124.96 1j4k s ILE 678 Ca 0.13 -0.21 -0.17 0.00 0.00 0.00 0.00 60.65 60.40 1j4k s ILE 678 Cb -0.18 -2.91 -0.01 0.00 0.01 0.00 0.00 42.46 39.37 1j4k s ILE 678 CO 0.13 0.48 0.48 -0.54 0.00 0.00 0.00 174.94 175.50 1j4k s LYS 679 N 0.31 3.68 0.07 2.79 1.02 0.71 0.35 119.74 128.66 1j4k s LYS 679 Ca -0.00 -0.14 -0.09 0.00 0.02 0.00 0.00 55.97 55.75 1j4k s LYS 679 Cb -0.13 -3.78 -0.28 0.00 -0.52 0.00 0.00 37.83 33.11 1j4k s LYS 679 CO 0.02 -0.58 1.12 0.82 -0.92 0.00 0.00 175.35 175.81 1j4k h ILE 680 N 5.57 1.39 -2.35 2.17 2.04 -1.82 1.80 117.51 126.32 1j4k h ILE 680 Ca -0.28 -2.79 -0.06 0.00 1.00 0.00 0.00 64.86 62.73 1j4k h ILE 680 Cb 1.13 2.87 -0.24 0.00 -0.74 0.00 0.00 36.82 39.84 1j4k h ILE 680 CO 0.75 0.83 -0.14 -0.63 0.00 0.00 0.00 178.15 178.96 1j4k s ILE 681 N -2.77 -0.01 -0.05 -0.67 1.01 -1.26 -4.19 121.20 113.25 1j4k s ILE 681 Ca -0.06 0.04 -0.01 0.00 0.00 0.00 0.00 60.65 60.62 1j4k s ILE 681 Cb 0.06 -0.79 0.03 0.00 0.01 0.00 0.00 42.46 41.77 1j4k s ILE 681 CO 0.91 0.02 0.00 0.86 0.00 0.00 0.00 174.94 176.73 1j4k s TRP 682 N 1.35 0.53 -0.20 3.97 -0.00 -1.25 -0.39 118.94 122.95 1j4k s TRP 682 Ca -0.08 -0.08 0.01 0.00 -0.00 0.00 0.00 56.10 55.95 1j4k s TRP 682 Cb -0.06 -0.66 0.03 0.00 -0.00 0.00 0.00 33.47 32.78 1j4k s TRP 682 CO -0.14 -0.25 -0.17 0.34 -0.00 0.00 0.00 176.95 176.73 1j4k s ASP 683 N 1.64 3.45 0.06 5.86 -1.08 0.31 -4.95 116.67 121.95 1j4k s ASP 683 Ca -0.01 -0.84 -0.20 0.00 -0.52 0.00 0.00 52.55 50.98 1j4k s ASP 683 Cb -0.13 -1.47 -0.11 0.00 -1.46 0.00 0.00 42.92 39.75 1j4k s ASP 683 CO -0.03 -0.06 1.47 0.11 0.52 0.00 0.00 175.17 177.18 1j4k h LYS 684 N 7.91 0.34 0.21 4.34 1.57 -1.95 0.94 116.57 129.93 1j4k h LYS 684 Ca -0.38 -0.12 -0.34 0.00 -1.87 0.00 0.00 60.65 57.94 1j4k h LYS 684 Cb 1.11 -0.02 0.02 0.00 0.08 0.00 0.00 32.23 33.42 1j4k h LYS 684 CO 0.58 0.58 -1.59 -0.91 -0.57 0.00 0.00 179.45 177.54 1j4k h ASN 685 N 0.07 0.69 1.08 0.86 2.35 -1.98 -3.30 115.58 115.35 1j4k h ASN 685 Ca 0.05 -0.93 0.00 0.00 -0.55 0.00 0.00 56.30 54.87 1j4k h ASN 685 Cb 0.44 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.59 1j4k h ASN 685 CO 0.01 1.74 0.00 -3.20 -1.65 0.00 0.00 177.43 174.33 1j4k n ASN 686 N -3.69 0.61 -0.43 5.81 5.15 -1.25 -4.88 115.26 116.58 1j4k n ASN 686 Ca -0.21 0.59 -0.06 0.00 -0.60 0.00 0.00 54.58 54.30 1j4k n ASN 686 Cb 1.07 -0.74 -0.02 0.00 -0.53 0.00 0.00 39.78 39.55 1j4k n ASN 686 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1j4k n LYS 687 N -2.11 -1.40 -2.43 1.20 4.76 0.31 -4.91 118.16 113.58 1j4k n LYS 687 Ca 0.04 0.62 -0.41 0.00 -2.87 0.00 0.00 58.31 55.69 1j4k n LYS 687 Cb 0.33 -4.79 -0.03 0.00 -1.84 0.00 0.00 35.03 28.70 1j4k n LYS 687 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 1j4k s PHE 688 N -1.70 2.31 -0.18 2.13 2.19 -1.09 -4.84 117.98 116.79 1j4k s PHE 688 Ca 0.00 0.41 -0.01 0.00 0.33 0.00 0.00 56.93 57.65 1j4k s PHE 688 Cb 0.00 -4.43 -0.00 0.00 -1.31 0.00 0.00 43.02 37.28 1j4k s PHE 688 CO 0.00 -1.94 -0.11 0.54 1.83 0.00 0.00 175.22 175.53 1j4k s VAL 689 N 5.97 2.93 0.14 3.12 0.11 -1.26 0.11 120.40 131.52 1j4k s VAL 689 Ca 0.49 -0.66 0.07 0.00 -2.93 0.00 0.00 61.98 58.95 1j4k s VAL 689 Cb -0.10 -2.28 -0.04 0.00 -1.53 0.00 0.00 36.38 32.43 1j4k s VAL 689 CO 0.24 0.48 -0.15 -0.63 -3.33 0.00 0.00 175.10 171.71 1j4k s ILE 690 N 1.09 1.48 0.00 7.04 -1.09 0.48 -1.59 121.20 128.61 1j4k s ILE 690 Ca 0.00 -1.81 0.00 0.00 -2.23 0.00 0.00 60.65 56.61 1j4k s ILE 690 Cb -0.15 -1.66 0.00 0.00 -1.58 0.00 0.00 42.46 39.08 1j4k s ILE 690 CO -0.03 -0.41 0.00 0.61 -1.23 0.00 0.00 174.94 173.88 1j4k n GLY 691 N 0.39 1.31 3.52 6.18 0.00 -1.26 -4.01 105.19 111.32 1j4k n GLY 691 Ca -0.14 0.33 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 1j4k n GLY 691 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1j4k s PHE 692 N 0.00 2.75 -0.31 1.61 0.08 0.15 -2.73 117.98 119.54 1j4k s PHE 692 Ca 0.00 -0.12 -0.11 0.00 0.12 0.00 0.00 56.93 56.81 1j4k s PHE 692 Cb 0.00 -1.60 -0.02 0.00 -0.57 0.00 0.00 43.02 40.83 1j4k s PHE 692 CO 0.00 0.27 0.20 0.21 -0.10 0.00 0.00 175.22 175.80 1j4k s LYS 693 N -1.09 3.59 -0.11 0.44 2.20 -1.13 0.00 119.74 123.63 1j4k s LYS 693 Ca 0.14 -0.57 -0.28 0.00 -0.36 0.00 0.00 55.97 54.90 1j4k s LYS 693 Cb -0.11 -3.69 -0.01 0.00 -1.51 0.00 0.00 37.83 32.51 1j4k s LYS 693 CO 0.04 -0.36 0.96 0.08 -0.36 0.00 0.00 175.35 175.71 1j4k s VAL 694 N 1.70 4.82 -0.22 4.02 1.01 0.38 -1.32 120.40 130.80 1j4k s VAL 694 Ca 0.06 1.94 -0.02 0.00 0.00 0.00 0.00 61.98 63.96 1j4k s VAL 694 Cb -0.17 -4.27 0.07 0.00 0.00 0.00 0.00 36.38 32.01 1j4k s VAL 694 CO 0.09 0.02 0.03 -0.70 0.00 0.00 0.00 175.10 174.55 1j4k s GLU 695 N 1.95 0.80 -0.50 2.72 2.56 0.32 0.91 118.70 127.46 1j4k s GLU 695 Ca 0.46 -0.59 -0.28 0.00 0.00 0.00 0.00 54.97 54.57 1j4k s GLU 695 Cb -0.18 -2.16 -0.00 0.00 2.00 0.00 0.00 34.13 33.79 1j4k s GLU 695 CO 0.17 -0.68 1.59 0.42 -0.56 0.00 0.00 175.26 176.20 1j4k s ILE 696 N 1.76 3.65 -0.18 -3.70 1.01 -1.26 -0.43 121.20 122.06 1j4k s ILE 696 Ca -0.00 0.57 -0.19 0.00 0.00 0.00 0.00 60.65 61.04 1j4k s ILE 696 Cb -0.17 -4.13 -0.21 0.00 0.01 0.00 0.00 42.46 37.96 1j4k s ILE 696 CO -0.10 -0.89 0.29 0.78 0.00 0.00 0.00 174.94 175.02 1j4k h ASN 697 N 12.20 0.11 -3.71 3.58 -0.26 -1.63 -3.47 115.58 122.39 1j4k h ASN 697 Ca -0.28 -0.63 -0.68 0.00 -0.56 0.00 0.00 56.30 54.14 1j4k h ASN 697 Cb 1.13 -0.04 -0.19 0.00 -1.06 0.00 0.00 38.32 38.16 1j4k h ASN 697 CO 1.14 1.56 -0.72 -0.62 -1.06 0.00 0.00 177.43 177.73 1j4k s ASP 698 N -6.89 4.49 -0.40 5.81 2.15 -1.17 -5.05 116.67 115.62 1j4k s ASP 698 Ca -0.27 -0.13 -0.02 0.00 0.43 0.00 0.00 52.55 52.56 1j4k s ASP 698 Cb 0.06 -1.05 0.11 0.00 -0.30 0.00 0.00 42.92 41.74 1j4k s ASP 698 CO 0.64 0.32 0.19 0.42 -0.17 0.00 0.00 175.17 176.56 1j4k s THR 699 N -0.89 3.20 -1.45 1.71 -4.23 -1.26 -4.42 115.64 108.29 1j4k s THR 699 Ca 0.15 -2.05 -0.11 0.00 -1.18 0.00 0.00 61.69 58.50 1j4k s THR 699 Cb -0.11 -3.19 0.04 0.00 1.34 0.00 0.00 72.50 70.58 1j4k s THR 699 CO 0.04 -0.66 2.36 0.41 -0.54 0.00 0.00 174.62 176.24 1j4k n THR 700 N 4.57 4.04 -2.49 3.99 -1.04 -1.26 -4.29 114.28 117.80 1j4k n THR 700 Ca -0.02 -3.31 -0.04 0.00 -2.04 0.00 0.00 64.05 58.64 1j4k n THR 700 Cb 0.41 -2.51 0.02 0.00 -1.82 0.00 0.00 70.33 66.44 1j4k n THR 700 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1j4k n GLY 701 N 3.46 0.44 3.70 3.41 0.00 -1.26 -4.80 105.19 110.14 1j4k n GLY 701 Ca 0.58 -0.42 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 1j4k n GLY 701 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j4k s LEU 702 N -2.64 4.24 0.49 0.99 2.01 -1.26 -2.05 118.68 120.45 1j4k s LEU 702 Ca 0.05 0.82 0.35 0.00 0.01 0.00 0.00 54.13 55.36 1j4k s LEU 702 Cb -0.02 -2.75 1.48 0.00 0.01 0.00 0.00 46.19 44.91 1j4k s LEU 702 CO 0.15 -0.07 1.69 2.19 1.01 0.00 0.00 176.35 181.32 1j4k h PHE 703 N 6.95 0.28 0.00 0.29 -0.00 -1.89 -3.35 116.94 119.22 1j4k h PHE 703 Ca -0.39 0.01 0.00 0.00 -0.00 0.00 0.00 57.97 57.60 1j4k h PHE 703 Cb 1.17 -0.07 0.00 0.00 -0.00 0.00 0.00 35.95 37.05 1j4k h PHE 703 CO 0.65 -0.06 0.00 -1.71 -0.00 0.00 0.00 178.31 177.19 1j4k n ASN 704 N -4.37 0.00 0.00 -0.68 5.15 -1.26 -5.00 115.26 109.10 1j4k n ASN 704 Ca 0.34 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.32 1j4k n ASN 704 Cb 1.42 0.13 0.00 0.00 -0.53 0.00 0.00 39.78 40.80 1j4k n ASN 704 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 1j4k n GLU 705 N -2.18 0.00 0.00 1.20 0.28 -1.26 -4.96 120.64 113.72 1j4k n GLU 705 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1j4k n GLU 705 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1j4k n GLU 705 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1j4k n GLY 706 N 0.00 -1.81 0.00 -1.84 0.00 -1.26 -4.63 105.19 95.66 1j4k n GLY 706 Ca 0.00 0.82 0.07 0.00 0.00 0.00 0.00 46.02 46.91 1j4k n GLY 706 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1j4k n LEU 707 N 0.00 0.63 -3.20 0.99 7.99 -1.26 0.17 117.00 122.32 1j4k n LEU 707 Ca 0.00 -0.47 -0.09 0.00 -0.01 0.00 0.00 56.01 55.44 1j4k n LEU 707 Cb 0.00 0.00 0.01 0.00 -0.11 0.00 0.00 43.42 43.32 1j4k n LEU 707 CO 0.00 0.16 -0.44 0.61 -1.51 0.00 0.00 177.39 176.21 1j4k n GLY 708 N 1.36 0.05 2.95 -0.72 0.00 -1.26 -4.96 105.19 102.61 1j4k n GLY 708 Ca 0.02 0.26 -0.13 0.00 0.00 0.00 0.00 46.02 46.18 1j4k n GLY 708 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1j4k s MET 709 N -1.30 0.11 -0.01 1.61 0.00 -1.26 -4.80 119.30 113.65 1j4k s MET 709 Ca 0.09 0.34 -0.10 0.00 0.00 0.00 0.00 55.69 56.02 1j4k s MET 709 Cb -0.01 -0.12 0.03 0.00 0.00 0.00 0.00 34.83 34.73 1j4k s MET 709 CO 0.20 -0.13 0.45 1.47 0.00 0.00 0.00 175.02 177.01 1j4k n LEU 710 N 3.95 0.00 -0.26 0.18 -0.00 -1.26 -5.00 117.00 114.60 1j4k n LEU 710 Ca -0.23 -0.14 0.16 0.00 -0.00 0.00 0.00 56.01 55.79 1j4k n LEU 710 Cb 0.53 0.66 0.44 0.00 -0.00 0.00 0.00 43.42 45.05 1j4k n LEU 710 CO 0.18 -0.05 1.22 1.56 -0.00 0.00 0.00 177.39 180.30 1j4k h GLN 711 N 0.00 0.53 -5.14 1.47 4.20 -2.07 -3.38 115.11 110.72 1j4k h GLN 711 Ca -0.07 -0.03 -0.62 0.00 0.06 0.00 0.00 58.65 57.99 1j4k h GLN 711 Cb 0.41 -0.12 -0.14 0.00 0.30 0.00 0.00 27.48 27.93 1j4k h GLN 711 CO 0.11 0.35 -0.46 -1.21 -0.67 0.00 0.00 178.83 176.95 1j4k s GLU 712 N -5.57 4.09 -0.69 1.46 2.02 -1.26 -5.04 118.70 113.71 1j4k s GLU 712 Ca -0.09 -0.20 -0.26 0.00 0.02 0.00 0.00 54.97 54.45 1j4k s GLU 712 Cb 0.23 -3.53 0.04 0.00 0.10 0.00 0.00 34.13 30.97 1j4k s GLU 712 CO 0.79 0.06 1.16 -0.65 0.02 0.00 0.00 175.26 176.63 1j4k s GLN 713 N 1.06 3.20 -0.12 1.61 -0.21 -1.26 -4.54 119.66 119.40 1j4k s GLN 713 Ca 0.09 -0.39 -0.01 0.00 0.02 0.00 0.00 55.36 55.08 1j4k s GLN 713 Cb -0.14 -4.18 0.00 0.00 1.00 0.00 0.00 33.01 29.70 1j4k s GLN 713 CO 0.05 -1.98 0.02 0.54 -2.12 0.00 0.00 175.29 171.80 1j4k n ARG 714 N 8.69 -1.46 -4.73 2.91 5.12 -1.26 -5.01 116.66 120.92 1j4k n ARG 714 Ca 0.01 1.51 -0.26 0.00 -1.93 0.00 0.00 57.85 57.19 1j4k n ARG 714 Cb 0.48 -2.60 -0.14 0.00 -1.16 0.00 0.00 32.46 29.03 1j4k n ARG 714 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1j4k s VAL 715 N -1.25 1.62 -0.06 1.55 -7.23 -1.26 -4.96 120.40 108.80 1j4k s VAL 715 Ca 0.01 -1.09 -0.24 0.00 -1.81 0.00 0.00 61.98 58.86 1j4k s VAL 715 Cb -0.00 -1.39 -0.04 0.00 0.56 0.00 0.00 36.38 35.51 1j4k s VAL 715 CO 0.30 0.27 0.71 -0.69 -0.31 0.00 0.00 175.10 175.38 1j4k s VAL 716 N -0.70 5.04 0.41 1.32 1.01 -1.26 -4.69 120.40 121.54 1j4k s VAL 716 Ca 0.07 1.46 0.08 0.00 0.00 0.00 0.00 61.98 63.60 1j4k s VAL 716 Cb -0.08 -4.05 0.01 0.00 0.00 0.00 0.00 36.38 32.25 1j4k s VAL 716 CO 0.01 0.25 0.55 -0.76 0.00 0.00 0.00 175.10 175.14 1j4k s LEU 717 N 0.81 3.65 0.21 3.92 1.02 0.32 -4.90 118.68 123.72 1j4k s LEU 717 Ca 0.38 -0.43 0.05 0.00 0.02 0.00 0.00 54.13 54.15 1j4k s LEU 717 Cb -0.18 -2.61 -0.03 0.00 0.02 0.00 0.00 46.19 43.39 1j4k s LEU 717 CO 0.18 -0.73 0.25 -0.75 0.02 0.00 0.00 176.35 175.32 1j4k s LYS 718 N -4.32 3.16 0.24 1.70 2.20 -1.26 0.93 119.74 122.39 1j4k s LYS 718 Ca 0.54 -0.85 0.00 0.00 -0.36 0.00 0.00 55.97 55.29 1j4k s LYS 718 Cb -0.09 -2.74 -0.04 0.00 -1.51 0.00 0.00 37.83 33.44 1j4k s LYS 718 CO 0.32 0.45 0.43 -0.65 -0.36 0.00 0.00 175.35 175.54 1j4k s GLN 719 N -3.63 3.51 0.18 4.03 -0.21 0.23 -4.57 119.66 119.20 1j4k s GLN 719 Ca 0.33 -0.37 0.01 0.00 0.02 0.00 0.00 55.36 55.35 1j4k s GLN 719 Cb -0.09 -2.80 -0.00 0.00 1.00 0.00 0.00 33.01 31.12 1j4k s GLN 719 CO 0.26 0.34 0.04 0.25 -2.12 0.00 0.00 175.29 174.06 1j4k n THR 720 N -1.00 0.00 -0.08 -0.19 -2.24 -1.26 -4.96 114.28 104.55 1j4k n THR 720 Ca -0.05 -0.98 0.13 0.00 -2.27 0.00 0.00 64.05 60.88 1j4k n THR 720 Cb 0.55 0.29 0.52 0.00 -2.10 0.00 0.00 70.33 69.59 1j4k n THR 720 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j4k h ALA 721 N 1.21 2.07 -0.13 6.98 0.00 -1.99 -1.40 119.26 126.00 1j4k h ALA 721 Ca -0.15 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.76 1j4k h ALA 721 Cb 0.51 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1j4k h ALA 721 CO 0.24 -0.21 0.05 1.49 0.00 0.00 0.00 179.25 180.82 1j4k h GLU 722 N 0.36 0.12 -0.15 0.00 4.57 -1.99 -0.25 114.58 117.23 1j4k h GLU 722 Ca 0.28 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.42 1j4k h GLU 722 Cb 0.61 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.17 1j4k h GLU 722 CO -0.07 0.08 -0.02 0.93 -1.18 0.00 0.00 179.01 178.75 1j4k h GLU 723 N 0.12 0.28 -0.59 1.92 5.08 -1.73 -2.85 114.58 116.81 1j4k h GLU 723 Ca 0.05 -0.10 0.12 0.00 -1.00 0.00 0.00 59.36 58.43 1j4k h GLU 723 Cb 0.02 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 1j4k h GLU 723 CO -0.04 0.54 0.40 -0.22 -1.00 0.00 0.00 179.01 178.69 1j4k h LYS 724 N -0.00 0.29 -0.40 2.33 3.64 -1.15 -0.48 116.57 120.81 1j4k h LYS 724 Ca 0.04 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.28 1j4k h LYS 724 Cb 0.42 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 1j4k h LYS 724 CO 0.01 0.19 -0.24 0.22 -2.27 0.00 0.00 179.45 177.37 1j4k h ASP 725 N 0.30 0.82 -0.64 4.20 3.58 -0.82 -1.17 116.42 122.70 1j4k h ASP 725 Ca 0.28 -0.31 0.05 0.00 0.42 0.00 0.00 57.03 57.47 1j4k h ASP 725 Cb 0.69 -0.23 -0.05 0.00 1.72 0.00 0.00 39.33 41.46 1j4k h ASP 725 CO -0.07 1.03 0.37 -0.07 -2.88 0.00 0.00 179.24 177.62 1j4k h LEU 726 N 0.70 0.56 -0.11 2.28 3.38 -0.89 -1.73 115.31 119.50 1j4k h LEU 726 Ca 0.09 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 1j4k h LEU 726 Cb 0.77 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1j4k h LEU 726 CO 0.06 0.37 -0.32 1.62 0.09 0.00 0.00 178.44 180.26 1j4k h VAL 727 N 0.69 0.56 -0.86 1.22 3.04 -1.43 -3.29 116.25 116.18 1j4k h VAL 727 Ca 0.28 -1.73 0.11 0.00 -1.01 0.00 0.00 66.70 64.36 1j4k h VAL 727 Cb 0.14 2.23 -0.08 0.00 -2.01 0.00 0.00 31.29 31.57 1j4k h VAL 727 CO -0.16 0.31 0.49 0.50 -1.01 0.00 0.00 177.57 177.70 1j4k h LYS 728 N 0.00 0.75 0.00 4.17 3.64 -0.26 0.74 116.57 125.61 1j4k h LYS 728 Ca -0.00 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.26 1j4k h LYS 728 Cb 1.20 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.84 1j4k h LYS 728 CO 0.04 0.49 -0.37 0.87 -2.27 0.00 0.00 179.45 178.22 1j4k h LYS 729 N 0.77 0.00 0.00 1.90 1.57 -1.61 -3.51 116.57 115.69 1j4k h LYS 729 Ca 0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.21 1j4k h LYS 729 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1j4k h LYS 729 CO -0.28 0.37 0.00 -0.11 -0.57 0.00 0.00 179.45 178.85