#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ja3 s LYS 579 N 0.00 4.37 -0.24 -1.40 -2.85 -1.26 -5.00 119.74 113.36 2ja3 s LYS 579 Ca 0.00 1.79 -0.20 0.00 -1.00 0.00 0.00 55.97 56.56 2ja3 s LYS 579 Cb 0.00 -3.46 -0.02 0.00 -2.06 0.00 0.00 37.83 32.29 2ja3 s LYS 579 CO 0.00 -0.39 0.62 -0.08 0.10 0.00 0.00 175.35 175.60 2ja3 s THR 580 N 1.71 5.00 0.38 3.79 -1.32 -1.26 -5.05 115.64 118.89 2ja3 s THR 580 Ca 0.59 1.13 0.03 0.00 -1.21 0.00 0.00 61.69 62.23 2ja3 s THR 580 Cb -0.29 -3.93 -0.01 0.00 -1.51 0.00 0.00 72.50 66.76 2ja3 s THR 580 CO 0.26 0.05 0.56 -0.76 -2.21 0.00 0.00 174.62 172.52 2ja3 s LEU 581 N 2.37 3.84 0.60 9.08 1.43 -1.26 -2.15 118.68 132.59 2ja3 s LEU 581 Ca 0.26 0.09 0.29 0.00 -1.03 0.00 0.00 54.13 53.74 2ja3 s LEU 581 Cb -0.16 -2.98 1.60 0.00 0.03 0.00 0.00 46.19 44.69 2ja3 s LEU 581 CO 0.09 -0.53 2.02 0.00 0.23 0.00 0.00 176.35 178.16 2ja3 h ALA 582 N 0.66 1.89 0.00 4.21 0.00 -1.40 -0.44 119.26 124.19 2ja3 h ALA 582 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2ja3 h ALA 582 Cb 1.25 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2ja3 h ALA 582 CO 0.56 -0.44 0.00 0.00 0.00 0.00 0.00 179.25 179.37 2ja3 n MET 583 N -3.70 0.13 0.06 0.00 0.00 -1.12 -2.17 117.12 110.32 2ja3 n MET 583 Ca 0.04 0.11 0.12 0.00 0.00 0.00 0.00 57.70 57.97 2ja3 n MET 583 Cb 0.45 -1.65 0.27 0.00 0.00 0.00 0.00 33.22 32.29 2ja3 n MET 583 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 2ja3 n ASP 584 N -1.87 0.64 -0.00 3.17 8.00 -0.18 -4.01 116.55 122.30 2ja3 n ASP 584 Ca 0.06 0.20 0.00 0.00 0.71 0.00 0.00 54.79 55.76 2ja3 n ASP 584 Cb 0.38 -0.09 -0.00 0.00 -0.02 0.00 0.00 41.12 41.38 2ja3 n ASP 584 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2ja3 n VAL 585 N -2.01 0.00 -2.51 2.53 0.31 -1.15 -5.05 118.33 110.46 2ja3 n VAL 585 Ca 0.04 -0.49 -0.35 0.00 -0.01 0.00 0.00 64.34 63.53 2ja3 n VAL 585 Cb 0.41 1.00 -0.03 0.00 -0.91 0.00 0.00 33.84 34.31 2ja3 n VAL 585 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ja3 s MET 586 N -0.78 3.90 -0.02 5.55 0.23 -0.92 -4.91 119.30 122.35 2ja3 s MET 586 Ca 0.00 1.45 -0.02 0.00 -1.03 0.00 0.00 55.69 56.09 2ja3 s MET 586 Cb 0.00 -2.26 -0.04 0.00 -1.53 0.00 0.00 34.83 31.01 2ja3 s MET 586 CO 0.01 -0.36 0.11 0.15 -2.03 0.00 0.00 175.02 172.90 2ja3 s LYS 587 N -2.96 3.20 0.56 3.16 3.01 -0.41 -4.27 119.74 122.02 2ja3 s LYS 587 Ca 0.64 -0.40 -0.07 0.00 -1.01 0.00 0.00 55.97 55.12 2ja3 s LYS 587 Cb -0.19 -2.95 -0.03 0.00 -1.01 0.00 0.00 37.83 33.65 2ja3 s LYS 587 CO 0.24 0.67 0.90 -1.25 0.51 0.00 0.00 175.35 176.41 2ja3 s PRO 588 N -1.69 3.41 0.75 -1.68 0.04 -1.26 -1.20 135.00 133.37 2ja3 s PRO 588 Ca 0.23 0.35 -0.11 0.00 0.04 0.00 0.00 61.00 61.51 2ja3 s PRO 588 Cb -0.12 -2.24 0.05 0.00 0.04 0.00 0.00 34.50 32.22 2ja3 s PRO 588 CO 0.14 -0.45 1.12 1.03 0.04 0.00 0.00 177.00 178.88 2ja3 s ARG 589 N -4.96 2.36 -0.37 4.56 1.81 -1.26 -4.92 118.95 116.18 2ja3 s ARG 589 Ca 0.51 0.20 -0.32 0.00 -1.72 0.00 0.00 55.73 54.41 2ja3 s ARG 589 Cb -0.11 -2.01 -0.10 0.00 -0.45 0.00 0.00 34.95 32.29 2ja3 s ARG 589 CO 0.48 -1.31 2.26 2.89 -0.68 0.00 0.00 175.30 178.94 2ja3 n ARG 590 N -3.13 1.26 -1.07 3.54 -4.01 -1.26 -1.63 116.66 110.36 2ja3 n ARG 590 Ca 0.07 0.30 0.00 0.00 -1.04 0.00 0.00 57.85 57.19 2ja3 n ARG 590 Cb 0.59 -2.76 0.00 0.00 -3.04 0.00 0.00 32.46 27.25 2ja3 n ARG 590 CO 0.00 0.00 0.00 0.09 -3.04 0.00 0.00 177.63 174.68 2ja3 n ASN 591 N 11.25 -0.61 -4.51 2.89 4.13 -1.26 -5.10 115.26 122.05 2ja3 n ASN 591 Ca 0.39 0.00 -0.26 0.00 1.68 0.00 0.00 54.58 56.39 2ja3 n ASN 591 Cb 0.32 -0.25 -0.10 0.00 -1.54 0.00 0.00 39.78 38.21 2ja3 n ASN 591 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 2ja3 s ASP 592 N -2.51 3.90 0.25 6.41 -0.00 -0.65 -5.11 116.67 118.96 2ja3 s ASP 592 Ca 0.00 -0.76 -0.28 0.00 -0.00 0.00 0.00 52.55 51.51 2ja3 s ASP 592 Cb 0.00 -0.51 -0.15 0.00 -0.00 0.00 0.00 42.92 42.26 2ja3 s ASP 592 CO 0.00 0.09 0.78 -2.65 -0.00 0.00 0.00 175.17 173.39 2ja3 n PRO 593 N -0.11 0.74 -0.59 8.23 -0.02 -1.26 -4.82 135.00 137.18 2ja3 n PRO 593 Ca -0.10 0.26 -0.29 0.00 -2.02 0.00 0.00 63.50 61.35 2ja3 n PRO 593 Cb 0.57 -1.46 0.23 0.00 -0.02 0.00 0.00 33.50 32.81 2ja3 n PRO 593 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2ja3 s LEU 594 N 1.60 1.42 0.12 2.45 1.43 -1.26 -4.76 118.68 119.67 2ja3 s LEU 594 Ca 0.61 1.72 -0.36 0.00 -1.03 0.00 0.00 54.13 55.07 2ja3 s LEU 594 Cb -0.80 -3.77 -0.16 0.00 0.03 0.00 0.00 46.19 41.50 2ja3 s LEU 594 CO 0.58 -3.90 1.43 0.18 0.23 0.00 0.00 176.35 174.88 2ja3 n LEU 595 N -4.73 2.21 -4.56 1.79 4.77 -1.26 -4.87 117.00 110.35 2ja3 n LEU 595 Ca 0.06 1.11 -0.42 0.00 -0.03 0.00 0.00 56.01 56.72 2ja3 n LEU 595 Cb 0.54 -1.28 -0.01 0.00 -2.33 0.00 0.00 43.42 40.33 2ja3 n LEU 595 CO 0.55 -0.75 1.68 -0.89 -1.33 0.00 0.00 177.39 176.65 2ja3 s THR 596 N 0.65 4.13 0.42 -5.08 2.01 -1.26 -4.97 115.64 111.55 2ja3 s THR 596 Ca 0.82 -1.48 0.08 0.00 0.31 0.00 0.00 61.69 61.42 2ja3 s THR 596 Cb -0.85 -5.10 -0.00 0.00 0.01 0.00 0.00 72.50 66.56 2ja3 s THR 596 CO 0.43 -1.94 0.48 0.54 -0.69 0.00 0.00 174.62 173.45 2ja3 s VAL 597 N 4.27 2.82 0.19 3.82 0.11 -1.26 -4.51 120.40 125.84 2ja3 s VAL 597 Ca 0.49 -1.16 0.09 0.00 -2.93 0.00 0.00 61.98 58.46 2ja3 s VAL 597 Cb 0.01 -2.98 -0.04 0.00 -1.53 0.00 0.00 36.38 31.84 2ja3 s VAL 597 CO -0.01 0.00 -0.17 -0.76 -3.33 0.00 0.00 175.10 170.83 2ja3 s LEU 598 N -4.25 2.50 0.56 2.54 1.43 -0.32 -4.98 118.68 116.15 2ja3 s LEU 598 Ca 0.52 -0.94 0.07 0.00 -1.03 0.00 0.00 54.13 52.75 2ja3 s LEU 598 Cb -0.07 -0.80 0.06 0.00 0.03 0.00 0.00 46.19 45.41 2ja3 s LEU 598 CO 0.31 -0.08 0.53 0.42 0.23 0.00 0.00 176.35 177.76 2ja3 s THR 599 N -2.43 1.75 -1.59 5.49 -4.23 -1.26 -0.56 115.64 112.80 2ja3 s THR 599 Ca 0.20 -1.35 0.13 0.00 -1.18 0.00 0.00 61.69 59.49 2ja3 s THR 599 Cb -0.04 -2.10 0.12 0.00 1.34 0.00 0.00 72.50 71.83 2ja3 s THR 599 CO 0.08 0.00 0.95 0.00 -0.54 0.00 0.00 174.62 175.10 2ja3 n GLN 600 N -1.93 0.98 0.00 3.99 10.64 -1.04 -4.74 117.38 125.28 2ja3 n GLN 600 Ca 0.03 -1.35 0.00 0.00 -1.83 0.00 0.00 57.00 53.86 2ja3 n GLN 600 Cb 0.64 -1.26 0.00 0.00 -0.86 0.00 0.00 30.24 28.76 2ja3 n GLN 600 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 2ja3 n ASP 601 N 0.73 0.00 -2.36 2.61 10.43 -1.26 -2.99 116.55 123.70 2ja3 n ASP 601 Ca 0.08 0.00 -0.24 0.00 2.57 0.00 0.00 54.79 57.20 2ja3 n ASP 601 Cb 0.34 0.00 0.01 0.00 1.84 0.00 0.00 41.12 43.31 2ja3 n ASP 601 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 2ja3 n SER 602 N 0.00 4.51 -4.11 -2.24 3.41 -1.26 -4.86 113.62 109.07 2ja3 n SER 602 Ca 0.00 -3.63 -0.32 0.00 -0.26 0.00 0.00 58.87 54.66 2ja3 n SER 602 Cb 0.00 -0.43 -0.16 0.00 -0.26 0.00 0.00 64.21 63.36 2ja3 n SER 602 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2ja3 s MET 603 N -3.54 2.78 0.17 4.33 -1.94 -1.26 -4.92 119.30 114.93 2ja3 s MET 603 Ca 0.47 -0.76 0.01 0.00 -1.71 0.00 0.00 55.69 53.71 2ja3 s MET 603 Cb 0.40 -2.36 -0.04 0.00 2.01 0.00 0.00 34.83 34.84 2ja3 s MET 603 CO -0.11 -0.14 0.33 0.95 -0.01 0.00 0.00 175.02 176.04 2ja3 s THR 604 N 1.15 5.28 0.35 2.05 -4.23 -1.26 0.54 115.64 119.51 2ja3 s THR 604 Ca 0.00 -0.58 0.07 0.00 -1.18 0.00 0.00 61.69 60.00 2ja3 s THR 604 Cb -0.14 -3.75 0.31 0.00 1.34 0.00 0.00 72.50 70.27 2ja3 s THR 604 CO -0.08 -0.14 1.87 0.58 -0.54 0.00 0.00 174.62 176.32 2ja3 h VAL 605 N 1.56 0.87 -0.01 2.29 2.07 -1.68 -0.07 116.25 121.28 2ja3 h VAL 605 Ca -0.48 -0.26 -0.13 0.00 0.82 0.00 0.00 66.70 66.65 2ja3 h VAL 605 Cb 1.20 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 2ja3 h VAL 605 CO 0.68 0.14 -0.63 -0.08 0.02 0.00 0.00 177.57 177.70 2ja3 h GLU 606 N 0.75 0.02 0.00 1.57 4.81 -1.88 -1.35 114.58 118.49 2ja3 h GLU 606 Ca 0.44 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.65 2ja3 h GLU 606 Cb 0.63 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.02 2ja3 h GLU 606 CO -0.20 0.65 0.00 -0.44 -0.73 0.00 0.00 179.01 178.28 2ja3 h ASP 607 N 0.02 0.00 0.00 1.04 3.45 -1.34 -2.01 116.42 117.58 2ja3 h ASP 607 Ca -0.01 0.00 -0.21 0.00 0.43 0.00 0.00 57.03 57.24 2ja3 h ASP 607 Cb 1.12 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 39.86 2ja3 h ASP 607 CO 0.08 0.00 -1.23 0.52 -1.57 0.00 0.00 179.24 177.04 2ja3 n VAL 608 N -2.34 1.52 0.07 -1.35 0.31 -0.92 -3.74 118.33 111.88 2ja3 n VAL 608 Ca 0.03 -0.01 0.11 0.00 -0.01 0.00 0.00 64.34 64.45 2ja3 n VAL 608 Cb 0.28 -2.08 0.57 0.00 -0.91 0.00 0.00 33.84 31.70 2ja3 n VAL 608 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2ja3 h GLU 609 N -1.00 0.20 0.00 5.55 5.08 -1.26 0.97 114.58 124.12 2ja3 h GLU 609 Ca -0.32 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 2ja3 h GLU 609 Cb 1.22 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2ja3 h GLU 609 CO -0.19 0.13 0.00 0.25 -1.00 0.00 0.00 179.01 178.20 2ja3 n THR 610 N -4.48 0.52 0.03 1.13 -2.24 -0.76 -1.43 114.28 107.06 2ja3 n THR 610 Ca 0.04 -0.15 -0.20 0.00 -2.27 0.00 0.00 64.05 61.47 2ja3 n THR 610 Cb 0.26 -0.65 -0.14 0.00 -2.10 0.00 0.00 70.33 67.70 2ja3 n THR 610 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2ja3 h ILE 611 N 0.00 0.83 -0.39 2.28 2.04 -0.94 -3.30 117.51 118.02 2ja3 h ILE 611 Ca 0.00 -2.50 -0.14 0.00 1.00 0.00 0.00 64.86 63.22 2ja3 h ILE 611 Cb 0.63 2.62 -0.01 0.00 -0.74 0.00 0.00 36.82 39.32 2ja3 h ILE 611 CO 0.00 0.83 -0.30 0.40 0.00 0.00 0.00 178.15 179.08 2ja3 h ILE 612 N 0.08 1.28 -0.04 -0.67 2.04 -1.19 -2.63 117.51 116.37 2ja3 h ILE 612 Ca -0.36 -1.46 0.00 0.00 1.00 0.00 0.00 64.86 64.04 2ja3 h ILE 612 Cb 2.05 1.29 0.00 0.00 -0.74 0.00 0.00 36.82 39.42 2ja3 h ILE 612 CO 0.13 0.49 0.00 -0.24 0.00 0.00 0.00 178.15 178.53 2ja3 n SER 613 N -4.08 0.39 -0.00 1.72 2.88 -0.51 -4.26 113.62 109.75 2ja3 n SER 613 Ca -0.01 -1.45 -0.01 0.00 -1.33 0.00 0.00 58.87 56.07 2ja3 n SER 613 Cb 0.49 -0.02 -0.00 0.00 -0.75 0.00 0.00 64.21 63.93 2ja3 n SER 613 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2ja3 n GLU 614 N -0.54 0.04 -2.24 -1.46 1.02 -1.14 -5.05 120.64 111.27 2ja3 n GLU 614 Ca 0.15 0.02 -0.26 0.00 -0.02 0.00 0.00 57.16 57.04 2ja3 n GLU 614 Cb 0.13 -0.32 0.12 0.00 -0.02 0.00 0.00 31.44 31.35 2ja3 n GLU 614 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2ja3 s THR 615 N -1.27 2.14 -0.36 2.62 -4.23 -1.00 -5.06 115.64 108.48 2ja3 s THR 615 Ca -0.02 -0.29 0.15 0.00 -1.18 0.00 0.00 61.69 60.35 2ja3 s THR 615 Cb 0.00 -2.85 0.42 0.00 1.34 0.00 0.00 72.50 71.41 2ja3 s THR 615 CO 0.03 0.00 0.91 0.35 -0.54 0.00 0.00 174.62 175.37 2ja3 n THR 616 N -3.17 0.89 -3.05 3.99 -2.24 -1.26 -4.75 114.28 104.68 2ja3 n THR 616 Ca 0.13 -3.74 -0.25 0.00 -2.27 0.00 0.00 64.05 57.92 2ja3 n THR 616 Cb 0.60 0.16 -0.00 0.00 -2.10 0.00 0.00 70.33 68.99 2ja3 n THR 616 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 2ja3 s TYR 617 N -2.99 3.46 0.05 4.78 4.12 -1.26 -5.03 117.35 120.48 2ja3 s TYR 617 Ca 0.33 0.48 -0.20 0.00 0.02 0.00 0.00 57.07 57.71 2ja3 s TYR 617 Cb 0.42 -2.12 -0.13 0.00 -1.52 0.00 0.00 41.96 38.60 2ja3 s TYR 617 CO -0.02 -0.12 1.36 0.77 0.02 0.00 0.00 175.55 177.56 2ja3 h SER 618 N 0.50 0.42 -5.02 2.29 0.02 -1.99 -3.44 113.55 106.32 2ja3 h SER 618 Ca -0.48 -0.47 0.01 0.00 -0.84 0.00 0.00 61.79 60.01 2ja3 h SER 618 Cb 1.22 -0.12 -0.09 0.00 0.14 0.00 0.00 62.40 63.56 2ja3 h SER 618 CO 0.61 0.80 0.17 -0.83 -1.14 0.00 0.00 176.83 176.44 2ja3 s GLY 619 N -3.43 -0.29 -0.06 -3.77 0.00 -1.26 -0.31 107.32 98.20 2ja3 s GLY 619 Ca -0.14 0.01 0.03 0.00 0.00 0.00 0.00 44.72 44.62 2ja3 s GLY 619 CO 0.76 -0.04 -0.13 -1.36 0.00 0.00 0.00 173.10 172.34 2ja3 s PHE 620 N -3.84 1.43 0.72 1.90 0.40 -0.26 -4.90 117.98 113.42 2ja3 s PHE 620 Ca 0.07 -0.49 -0.13 0.00 -0.60 0.00 0.00 56.93 55.78 2ja3 s PHE 620 Cb -0.03 -1.03 0.03 0.00 0.51 0.00 0.00 43.02 42.50 2ja3 s PHE 620 CO -0.03 -0.24 1.10 -2.14 0.70 0.00 0.00 175.22 174.62 2ja3 s PRO 621 N 0.51 2.47 -0.04 0.24 0.02 -1.26 -1.99 135.00 134.96 2ja3 s PRO 621 Ca -0.12 1.30 0.05 0.00 0.02 0.00 0.00 61.00 62.25 2ja3 s PRO 621 Cb -0.14 -1.92 -0.01 0.00 0.02 0.00 0.00 34.50 32.46 2ja3 s PRO 621 CO 0.03 -1.49 -0.18 0.14 -0.33 0.00 0.00 177.00 175.16 2ja3 s VAL 622 N -2.61 1.51 0.30 3.83 -7.23 0.12 -1.18 120.40 115.15 2ja3 s VAL 622 Ca 0.64 -0.78 0.07 0.00 -1.81 0.00 0.00 61.98 60.11 2ja3 s VAL 622 Cb -0.19 -1.28 -0.06 0.00 0.56 0.00 0.00 36.38 35.40 2ja3 s VAL 622 CO 0.49 0.43 -0.06 0.68 -0.31 0.00 0.00 175.10 176.33 2ja3 s VAL 623 N -0.11 1.80 0.09 1.32 -7.23 0.27 0.04 120.40 116.58 2ja3 s VAL 623 Ca -0.01 -2.14 -0.22 0.00 -1.81 0.00 0.00 61.98 57.81 2ja3 s VAL 623 Cb -0.11 -2.54 -0.12 0.00 0.56 0.00 0.00 36.38 34.17 2ja3 s VAL 623 CO 0.02 -0.25 1.70 0.58 -0.31 0.00 0.00 175.10 176.84 2ja3 h VAL 624 N 2.18 1.07 -3.24 1.32 2.07 -1.46 -2.75 116.25 115.44 2ja3 h VAL 624 Ca -0.41 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 2ja3 h VAL 624 Cb 1.24 1.02 -0.10 0.00 -1.52 0.00 0.00 31.29 31.93 2ja3 h VAL 624 CO 0.69 0.06 0.07 -0.94 0.02 0.00 0.00 177.57 177.47 2ja3 s SER 625 N -5.35 -0.29 0.41 0.57 1.04 -1.26 -4.12 113.70 104.70 2ja3 s SER 625 Ca -0.13 -0.45 0.17 0.00 0.48 0.00 0.00 55.95 56.02 2ja3 s SER 625 Cb 0.07 0.60 0.91 0.00 0.10 0.00 0.00 66.02 67.70 2ja3 s SER 625 CO 0.68 -1.08 1.88 0.03 0.98 0.00 0.00 173.24 175.73 2ja3 h ARG 626 N 2.15 0.00 0.22 4.02 3.08 -1.95 -0.80 114.38 121.09 2ja3 h ARG 626 Ca -0.28 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.46 2ja3 h ARG 626 Cb 1.27 0.00 0.04 0.00 0.08 0.00 0.00 29.97 31.35 2ja3 h ARG 626 CO 0.36 0.29 -1.36 0.93 -1.07 0.00 0.00 179.97 179.13 2ja3 h GLU 627 N 0.00 0.53 0.15 0.04 3.07 -2.01 -3.35 114.58 113.01 2ja3 h GLU 627 Ca -0.00 -0.87 -0.31 0.00 -0.50 0.00 0.00 59.36 57.68 2ja3 h GLU 627 Cb 0.59 0.32 0.01 0.00 -0.84 0.00 0.00 28.75 28.82 2ja3 h GLU 627 CO 0.04 1.41 -1.46 0.66 -1.40 0.00 0.00 179.01 178.26 2ja3 h SER 628 N 0.11 0.51 -5.40 1.42 4.64 -1.95 -3.48 113.55 109.40 2ja3 h SER 628 Ca -0.23 -0.62 -0.42 0.00 -0.47 0.00 0.00 61.79 60.05 2ja3 h SER 628 Cb 2.06 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.99 2ja3 h SER 628 CO 0.26 1.50 -0.64 0.00 -0.87 0.00 0.00 176.83 177.08 2ja3 n GLN 629 N -3.54 -4.99 -3.37 4.77 1.13 -0.31 -4.83 117.38 106.24 2ja3 n GLN 629 Ca -0.15 0.69 -0.38 0.00 -1.94 0.00 0.00 57.00 55.22 2ja3 n GLN 629 Cb 1.05 -5.54 -0.07 0.00 0.11 0.00 0.00 30.24 25.79 2ja3 n GLN 629 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 2ja3 s ARG 630 N -6.11 4.25 0.14 -1.09 0.52 -1.26 -1.24 118.95 114.17 2ja3 s ARG 630 Ca 0.46 0.30 -0.31 0.00 -0.52 0.00 0.00 55.73 55.66 2ja3 s ARG 630 Cb -0.22 -3.49 -0.08 0.00 0.52 0.00 0.00 34.95 31.67 2ja3 s ARG 630 CO 0.57 0.06 1.40 -1.17 0.02 0.00 0.00 175.30 176.17 2ja3 s LEU 631 N 0.99 4.38 -0.14 2.53 0.20 -1.26 -1.16 118.68 124.21 2ja3 s LEU 631 Ca 0.22 2.39 0.04 0.00 0.69 0.00 0.00 54.13 57.47 2ja3 s LEU 631 Cb -0.15 -3.59 -0.11 0.00 -0.43 0.00 0.00 46.19 41.91 2ja3 s LEU 631 CO 0.08 -0.65 -0.08 0.52 -0.29 0.00 0.00 176.35 175.93 2ja3 n VAL 632 N 3.61 0.84 -3.33 1.68 0.31 0.11 -4.86 118.33 116.68 2ja3 n VAL 632 Ca 0.10 -0.38 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 2ja3 n VAL 632 Cb 0.42 -0.93 0.00 0.00 -0.91 0.00 0.00 33.84 32.42 2ja3 n VAL 632 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ja3 n GLY 633 N 2.64 -1.27 2.89 2.92 0.00 -1.09 -4.71 105.19 106.57 2ja3 n GLY 633 Ca -0.24 -0.94 -0.19 0.00 0.00 0.00 0.00 46.02 44.65 2ja3 n GLY 633 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2ja3 s PHE 634 N -3.00 0.66 -0.12 1.61 5.36 -0.64 -0.70 117.98 121.15 2ja3 s PHE 634 Ca 0.00 -0.16 0.02 0.00 -0.96 0.00 0.00 56.93 55.82 2ja3 s PHE 634 Cb 0.00 -0.59 0.02 0.00 -0.34 0.00 0.00 43.02 42.11 2ja3 s PHE 634 CO 0.00 -0.16 -0.16 0.54 -1.46 0.00 0.00 175.22 173.98 2ja3 s VAL 635 N 0.78 1.60 0.76 3.12 0.11 -0.84 -0.87 120.40 125.05 2ja3 s VAL 635 Ca -0.10 -0.69 -0.13 0.00 -2.93 0.00 0.00 61.98 58.13 2ja3 s VAL 635 Cb -0.13 -1.46 0.05 0.00 -1.53 0.00 0.00 36.38 33.31 2ja3 s VAL 635 CO -0.00 0.46 1.16 -0.76 -3.33 0.00 0.00 175.10 172.63 2ja3 s LEU 636 N 1.08 3.20 -0.03 2.54 1.43 -1.26 -1.11 118.68 124.52 2ja3 s LEU 636 Ca -0.04 2.17 -0.23 0.00 -1.03 0.00 0.00 54.13 54.99 2ja3 s LEU 636 Cb -0.14 -4.57 -0.22 0.00 0.03 0.00 0.00 46.19 41.29 2ja3 s LEU 636 CO -0.04 -2.26 1.09 -0.09 0.23 0.00 0.00 176.35 175.28 2ja3 h ARG 637 N -0.66 0.22 0.00 1.70 2.43 -0.95 -3.18 114.38 113.93 2ja3 h ARG 637 Ca -0.46 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 58.51 2ja3 h ARG 637 Cb 1.27 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.87 2ja3 h ARG 637 CO 0.49 0.89 0.01 0.54 -1.51 0.00 0.00 179.97 180.39 2ja3 n ARG 638 N -4.50 0.00 -0.01 0.20 1.74 -1.26 -1.39 116.66 111.44 2ja3 n ARG 638 Ca -0.09 0.39 0.08 0.00 -0.77 0.00 0.00 57.85 57.47 2ja3 n ARG 638 Cb 0.49 -1.51 -0.13 0.00 -1.02 0.00 0.00 32.46 30.30 2ja3 n ARG 638 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2ja3 n ASP 639 N -1.39 1.18 0.11 0.55 8.00 -1.20 -4.46 116.55 119.34 2ja3 n ASP 639 Ca 0.00 -0.02 -0.03 0.00 0.71 0.00 0.00 54.79 55.45 2ja3 n ASP 639 Cb 0.01 1.75 0.10 0.00 -0.02 0.00 0.00 41.12 42.95 2ja3 n ASP 639 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2ja3 h LEU 640 N 0.00 0.07 0.08 0.64 3.38 -1.21 -3.34 115.31 114.93 2ja3 h LEU 640 Ca 0.00 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2ja3 h LEU 640 Cb 0.75 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.48 2ja3 h LEU 640 CO 0.00 0.74 -0.04 0.40 0.09 0.00 0.00 178.44 179.64 2ja3 h ILE 641 N 0.04 1.11 -0.82 1.22 2.04 -1.78 -3.25 117.51 116.07 2ja3 h ILE 641 Ca -0.01 -1.45 0.19 0.00 1.00 0.00 0.00 64.86 64.59 2ja3 h ILE 641 Cb 1.23 1.94 -0.05 0.00 -0.74 0.00 0.00 36.82 39.20 2ja3 h ILE 641 CO 0.10 0.32 0.55 0.40 0.00 0.00 0.00 178.15 179.52 2ja3 h ILE 642 N -0.86 0.70 0.00 -0.67 2.04 -1.78 -0.97 117.51 115.97 2ja3 h ILE 642 Ca -0.01 -0.11 -0.08 0.00 1.00 0.00 0.00 64.86 65.66 2ja3 h ILE 642 Cb 0.60 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 2ja3 h ILE 642 CO 0.02 0.06 -0.57 0.28 0.00 0.00 0.00 178.15 177.94 2ja3 h SER 643 N 0.31 0.00 0.08 1.72 0.02 -1.68 -3.22 113.55 110.79 2ja3 h SER 643 Ca 0.41 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 61.19 2ja3 h SER 643 Cb 1.13 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.67 2ja3 h SER 643 CO -0.12 0.37 -0.88 0.40 -1.14 0.00 0.00 176.83 175.46 2ja3 h ILE 644 N 0.00 1.33 0.00 3.27 2.04 -1.23 -3.27 117.51 119.65 2ja3 h ILE 644 Ca -0.03 -2.39 0.00 0.00 1.00 0.00 0.00 64.86 63.44 2ja3 h ILE 644 Cb 1.30 2.94 0.00 0.00 -0.74 0.00 0.00 36.82 40.32 2ja3 h ILE 644 CO 0.04 0.62 0.00 -0.62 0.00 0.00 0.00 178.15 178.20 2ja3 n GLU 645 N -4.22 0.08 0.02 2.37 1.02 -0.86 -2.40 120.64 116.65 2ja3 n GLU 645 Ca -0.19 0.26 0.11 0.00 -0.02 0.00 0.00 57.16 57.32 2ja3 n GLU 645 Cb 0.74 -1.64 -0.02 0.00 -0.02 0.00 0.00 31.44 30.50 2ja3 n GLU 645 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2ja3 n ASN 646 N -1.80 0.57 -0.09 1.62 3.02 -1.21 -4.06 115.26 113.30 2ja3 n ASN 646 Ca 0.04 -0.21 0.10 0.00 -0.03 0.00 0.00 54.58 54.48 2ja3 n ASN 646 Cb 0.24 0.99 -0.08 0.00 -0.61 0.00 0.00 39.78 40.31 2ja3 n ASN 646 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ja3 n ALA 647 N -1.89 4.50 0.86 5.41 0.00 -1.01 -3.99 120.51 124.38 2ja3 n ALA 647 Ca 0.01 -0.60 0.10 0.00 0.00 0.00 0.00 53.44 52.95 2ja3 n ALA 647 Cb 0.46 -0.79 -0.09 0.00 0.00 0.00 0.00 19.45 19.02 2ja3 n ALA 647 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2ja3 n ARG 648 N -1.23 0.09 0.00 0.00 1.74 -1.17 -4.65 116.66 111.44 2ja3 n ARG 648 Ca 0.05 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 2ja3 n ARG 648 Cb 0.36 -1.51 0.00 0.00 -1.02 0.00 0.00 32.46 30.29 2ja3 n ARG 648 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2ja3 n LYS 649 N -1.62 0.99 -2.05 5.56 5.02 -1.26 -4.98 118.16 119.82 2ja3 n LYS 649 Ca 0.03 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.91 2ja3 n LYS 649 Cb 0.36 -1.16 -0.00 0.00 -0.02 0.00 0.00 35.03 34.21 2ja3 n LYS 649 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ja3 n GLY 653 N 0.35 4.92 3.53 0.72 0.00 -1.26 -5.15 105.19 108.29 2ja3 n GLY 653 Ca 0.00 -2.00 -0.42 0.00 0.00 0.00 0.00 46.02 43.60 2ja3 n GLY 653 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ja3 s VAL 654 N -0.05 4.07 0.00 1.61 1.01 -1.26 -4.21 120.40 121.56 2ja3 s VAL 654 Ca 0.49 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.76 2ja3 s VAL 654 Cb 0.15 -4.74 0.00 0.00 0.00 0.00 0.00 36.38 31.78 2ja3 s VAL 654 CO -0.05 -1.50 0.00 1.33 0.00 0.00 0.00 175.10 174.87 2ja3 n VAL 655 N 6.29 0.00 1.78 2.92 0.24 -1.26 -4.77 118.33 123.53 2ja3 n VAL 655 Ca 0.02 0.00 0.15 0.00 -2.04 0.00 0.00 64.34 62.47 2ja3 n VAL 655 Cb 0.48 -0.96 0.79 0.00 -1.47 0.00 0.00 33.84 32.68 2ja3 n VAL 655 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2ja3 n SER 656 N -0.49 0.46 -0.68 -1.34 7.64 -1.26 -3.64 113.62 114.31 2ja3 n SER 656 Ca 0.00 -1.07 0.06 0.00 1.01 0.00 0.00 58.87 58.87 2ja3 n SER 656 Cb 0.00 -0.02 0.18 0.00 -1.01 0.00 0.00 64.21 63.36 2ja3 n SER 656 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2ja3 n THR 657 N -0.68 1.91 -3.51 0.44 -2.24 -1.26 -3.49 114.28 105.44 2ja3 n THR 657 Ca 0.21 -2.90 -0.37 0.00 -2.27 0.00 0.00 64.05 58.72 2ja3 n THR 657 Cb 0.20 -0.08 -0.08 0.00 -2.10 0.00 0.00 70.33 68.26 2ja3 n THR 657 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2ja3 s SER 658 N -3.05 6.30 0.09 3.42 0.01 -1.24 -4.87 113.70 114.36 2ja3 s SER 658 Ca 0.37 0.35 -0.30 0.00 1.31 0.00 0.00 55.95 57.67 2ja3 s SER 658 Cb 0.36 -2.18 -0.06 0.00 0.21 0.00 0.00 66.02 64.36 2ja3 s SER 658 CO -0.08 -0.01 1.10 -0.63 0.41 0.00 0.00 173.24 174.03 2ja3 s ILE 659 N 1.15 4.21 -0.23 1.44 1.01 -1.26 -2.53 121.20 124.98 2ja3 s ILE 659 Ca 0.14 1.70 -0.09 0.00 0.00 0.00 0.00 60.65 62.40 2ja3 s ILE 659 Cb -0.14 -4.09 -0.04 0.00 0.01 0.00 0.00 42.46 38.20 2ja3 s ILE 659 CO 0.06 0.20 0.12 -0.63 0.00 0.00 0.00 174.94 174.69 2ja3 s ILE 660 N 0.52 5.04 0.17 2.92 1.01 0.19 -3.50 121.20 127.55 2ja3 s ILE 660 Ca 0.53 0.07 0.08 0.00 0.00 0.00 0.00 60.65 61.33 2ja3 s ILE 660 Cb -0.27 -3.33 -0.04 0.00 0.01 0.00 0.00 42.46 38.83 2ja3 s ILE 660 CO 0.31 0.37 -0.04 -0.72 0.00 0.00 0.00 174.94 174.87 2ja3 s TYR 661 N 0.96 2.77 -0.42 3.97 -0.85 -0.92 -4.28 117.35 118.59 2ja3 s TYR 661 Ca 0.06 -0.16 0.06 0.00 -0.52 0.00 0.00 57.07 56.50 2ja3 s TYR 661 Cb -0.13 -1.35 -0.03 0.00 0.38 0.00 0.00 41.96 40.83 2ja3 s TYR 661 CO 0.03 0.51 0.38 1.19 -1.52 0.00 0.00 175.55 176.14 2ja3 n PHE 662 N -0.03 0.00 -0.36 -3.49 3.01 -1.16 -2.61 117.46 112.82 2ja3 n PHE 662 Ca -0.10 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.36 2ja3 n PHE 662 Cb 0.55 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.02 2ja3 n PHE 662 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 2ja3 n THR 663 N -0.68 0.00 0.05 4.37 -2.24 -1.26 -4.27 114.28 110.25 2ja3 n THR 663 Ca 0.02 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.64 2ja3 n THR 663 Cb 0.11 -1.66 -0.14 0.00 -2.10 0.00 0.00 70.33 66.54 2ja3 n THR 663 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2ja3 h GLU 664 N 0.00 0.22 -5.70 -0.78 5.08 -1.98 -3.42 114.58 108.00 2ja3 h GLU 664 Ca 0.00 -0.38 -0.47 0.00 -1.00 0.00 0.00 59.36 57.51 2ja3 h GLU 664 Cb 0.00 0.14 -0.21 0.00 0.50 0.00 0.00 28.75 29.18 2ja3 h GLU 664 CO 0.00 1.06 -0.80 -1.01 -1.00 0.00 0.00 179.01 177.26 2ja3 s HIS 665 N -2.61 1.47 0.33 4.33 3.76 -1.26 -5.10 115.29 116.21 2ja3 s HIS 665 Ca -0.10 -0.45 -0.29 0.00 -0.15 0.00 0.00 55.06 54.08 2ja3 s HIS 665 Cb 0.07 -0.81 -0.11 0.00 1.11 0.00 0.00 32.58 32.84 2ja3 s HIS 665 CO 0.84 0.13 1.40 0.45 -0.85 0.00 0.00 174.74 176.71 2ja3 s SER 666 N -1.86 6.59 0.75 1.40 0.15 -1.26 -5.00 113.70 114.46 2ja3 s SER 666 Ca 0.02 2.82 -0.11 0.00 0.70 0.00 0.00 55.95 59.39 2ja3 s SER 666 Cb -0.10 -2.65 0.04 0.00 -1.71 0.00 0.00 66.02 61.60 2ja3 s SER 666 CO 0.03 -0.69 1.08 -2.16 1.20 0.00 0.00 173.24 172.69 2ja3 s PRO 667 N -1.63 2.51 0.01 5.44 0.04 -1.26 -4.98 135.00 135.13 2ja3 s PRO 667 Ca 0.52 0.92 -0.30 0.00 0.04 0.00 0.00 61.00 62.18 2ja3 s PRO 667 Cb -0.43 -1.94 -0.06 0.00 0.04 0.00 0.00 34.50 32.11 2ja3 s PRO 667 CO 0.55 -1.39 1.54 -2.14 0.04 0.00 0.00 177.00 175.59 2ja3 s PRO 668 N -5.03 4.23 0.16 0.56 0.02 -1.26 -5.02 135.00 128.66 2ja3 s PRO 668 Ca 0.60 2.13 0.07 0.00 0.02 0.00 0.00 61.00 63.81 2ja3 s PRO 668 Cb -0.15 -3.67 -0.04 0.00 0.02 0.00 0.00 34.50 30.66 2ja3 s PRO 668 CO 0.55 -0.69 -0.14 -0.51 -0.33 0.00 0.00 177.00 175.88 2ja3 s LEU 669 N 2.85 2.49 0.58 -5.54 1.02 -1.26 -5.14 118.68 113.68 2ja3 s LEU 669 Ca 0.69 -0.93 -0.20 0.00 0.02 0.00 0.00 54.13 53.71 2ja3 s LEU 669 Cb -0.34 -0.61 -0.04 0.00 0.02 0.00 0.00 46.19 45.22 2ja3 s LEU 669 CO 0.29 -0.17 1.24 -0.81 0.02 0.00 0.00 176.35 176.92 2ja3 n PRO 670 N 0.04 1.35 0.05 1.29 -0.04 -1.26 -4.90 135.00 131.53 2ja3 n PRO 670 Ca -0.11 0.51 0.07 0.00 -0.04 0.00 0.00 63.50 63.92 2ja3 n PRO 670 Cb 0.59 -2.45 0.31 0.00 -0.04 0.00 0.00 33.50 31.91 2ja3 n PRO 670 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 2ja3 n PRO 671 N -1.18 0.06 0.06 0.54 -0.02 -1.26 -2.67 135.00 130.53 2ja3 n PRO 671 Ca 0.13 0.41 -0.09 0.00 -2.02 0.00 0.00 63.50 61.92 2ja3 n PRO 671 Cb 0.46 -1.65 -0.13 0.00 -0.02 0.00 0.00 33.50 32.16 2ja3 n PRO 671 CO 0.00 0.00 0.00 1.88 1.98 0.00 0.00 175.50 179.36 2ja3 h TYR 672 N 0.00 0.11 -3.97 6.00 0.05 -2.07 -3.47 116.97 113.61 2ja3 h TYR 672 Ca 0.00 -0.08 -0.53 0.00 0.05 0.00 0.00 58.73 58.17 2ja3 h TYR 672 Cb 0.17 -0.00 0.09 0.00 1.01 0.00 0.00 36.73 38.00 2ja3 h TYR 672 CO 0.00 1.07 0.62 0.95 -1.05 0.00 0.00 178.16 179.75 2ja3 s THR 673 N -2.68 2.48 1.40 -2.88 -4.23 -1.09 -5.02 115.64 103.62 2ja3 s THR 673 Ca -0.01 0.41 -0.21 0.00 -1.18 0.00 0.00 61.69 60.70 2ja3 s THR 673 Cb 0.09 -3.24 0.36 0.00 1.34 0.00 0.00 72.50 71.05 2ja3 s THR 673 CO 0.83 0.05 0.93 -2.84 -0.54 0.00 0.00 174.62 173.05 2ja3 s PRO 674 N -2.38 -2.78 0.87 3.99 0.02 -1.26 -4.99 135.00 128.46 2ja3 s PRO 674 Ca 0.60 0.32 -0.11 0.00 0.02 0.00 0.00 61.00 61.83 2ja3 s PRO 674 Cb -0.39 -1.38 0.12 0.00 0.02 0.00 0.00 34.50 32.87 2ja3 s PRO 674 CO 0.49 -4.82 1.14 -2.14 -0.33 0.00 0.00 177.00 171.34 2ja3 s PRO 675 N -4.88 1.38 0.33 5.54 0.02 -1.26 -4.95 135.00 131.18 2ja3 s PRO 675 Ca 0.68 1.49 0.03 0.00 0.02 0.00 0.00 61.00 63.22 2ja3 s PRO 675 Cb -0.16 -1.77 0.03 0.00 0.02 0.00 0.00 34.50 32.62 2ja3 s PRO 675 CO 0.60 -2.35 0.28 0.25 -0.33 0.00 0.00 177.00 175.45 2ja3 n THR 676 N -3.95 0.00 -3.82 0.99 -2.24 -1.26 -4.64 114.28 99.36 2ja3 n THR 676 Ca 0.11 -1.25 -0.12 0.00 -2.27 0.00 0.00 64.05 60.52 2ja3 n THR 676 Cb 0.52 -0.32 -0.12 0.00 -2.10 0.00 0.00 70.33 68.32 2ja3 n THR 676 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2ja3 s LEU 677 N 0.00 1.35 -0.11 3.22 0.20 -1.23 -5.01 118.68 117.10 2ja3 s LEU 677 Ca 0.22 0.24 0.01 0.00 0.69 0.00 0.00 54.13 55.28 2ja3 s LEU 677 Cb -0.02 0.65 -0.02 0.00 -0.43 0.00 0.00 46.19 46.37 2ja3 s LEU 677 CO 0.14 -0.13 -0.13 -0.75 -0.29 0.00 0.00 176.35 175.18 2ja3 s LYS 678 N -0.24 3.21 -0.03 1.98 2.20 -1.26 -2.16 119.74 123.44 2ja3 s LYS 678 Ca -0.03 -0.68 0.04 0.00 -0.36 0.00 0.00 55.97 54.93 2ja3 s LYS 678 Cb -0.03 -2.58 0.06 0.00 -1.51 0.00 0.00 37.83 33.77 2ja3 s LYS 678 CO 0.01 0.30 0.94 1.28 -0.36 0.00 0.00 175.35 177.52 2ja3 n LEU 679 N 3.27 1.61 -0.33 5.43 4.77 -1.07 -4.81 117.00 125.87 2ja3 n LEU 679 Ca -0.18 -1.82 0.09 0.00 -0.03 0.00 0.00 56.01 54.07 2ja3 n LEU 679 Cb 0.53 -0.09 0.20 0.00 -2.33 0.00 0.00 43.42 41.73 2ja3 n LEU 679 CO 0.30 0.44 0.75 -0.09 -1.33 0.00 0.00 177.39 177.46 2ja3 h ARG 680 N 0.00 0.02 -0.28 3.23 1.12 -1.74 -2.27 114.38 114.46 2ja3 h ARG 680 Ca 0.00 -0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 2ja3 h ARG 680 Cb 0.74 -0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.69 2ja3 h ARG 680 CO 0.00 0.01 0.00 0.27 -3.11 0.00 0.00 179.97 177.14 2ja3 n ASN 681 N -5.51 0.28 0.00 -3.80 0.23 -1.26 -1.91 115.26 103.29 2ja3 n ASN 681 Ca 0.18 -1.25 0.00 0.00 -0.53 0.00 0.00 54.58 52.98 2ja3 n ASN 681 Cb 0.59 -0.14 0.00 0.00 -2.08 0.00 0.00 39.78 38.15 2ja3 n ASN 681 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2ja3 n ILE 682 N -0.19 0.17 -3.71 1.53 3.06 -0.85 -5.06 119.36 114.30 2ja3 n ILE 682 Ca 0.00 -0.18 -0.35 0.00 -2.50 0.00 0.00 62.75 59.72 2ja3 n ILE 682 Cb 0.07 1.00 -0.08 0.00 0.54 0.00 0.00 39.64 41.17 2ja3 n ILE 682 CO 0.00 0.00 0.00 -0.22 -2.50 0.00 0.00 176.55 173.83 2ja3 s LEU 683 N -0.17 4.22 -0.58 9.51 2.96 -0.80 -4.68 118.68 129.14 2ja3 s LEU 683 Ca 0.00 0.27 -0.28 0.00 -0.22 0.00 0.00 54.13 53.90 2ja3 s LEU 683 Cb 0.00 -2.12 0.02 0.00 0.50 0.00 0.00 46.19 44.59 2ja3 s LEU 683 CO 0.00 0.18 1.35 -0.62 -1.32 0.00 0.00 176.35 175.93 2ja3 s ASP 684 N 0.34 6.22 0.00 3.68 2.15 -0.05 -4.87 116.67 124.13 2ja3 s ASP 684 Ca 0.09 0.19 0.30 0.00 0.43 0.00 0.00 52.55 53.56 2ja3 s ASP 684 Cb -0.11 -2.55 1.47 0.00 -0.30 0.00 0.00 42.92 41.43 2ja3 s ASP 684 CO -0.01 -1.66 1.99 0.18 -0.17 0.00 0.00 175.17 175.50 2ja3 n LEU 685 N 9.26 0.51 -2.90 -1.34 4.77 -1.26 -1.62 117.00 124.41 2ja3 n LEU 685 Ca 0.11 -0.10 -0.21 0.00 -0.03 0.00 0.00 56.01 55.78 2ja3 n LEU 685 Cb 0.49 -0.07 -0.02 0.00 -2.33 0.00 0.00 43.42 41.49 2ja3 n LEU 685 CO 0.71 0.09 -0.03 -1.20 -1.33 0.00 0.00 177.39 175.63 2ja3 n SER 686 N -0.72 2.70 -4.83 -1.43 7.64 -1.26 -4.87 113.62 110.86 2ja3 n SER 686 Ca 0.19 -3.28 -0.31 0.00 1.01 0.00 0.00 58.87 56.48 2ja3 n SER 686 Cb 0.23 -0.56 0.04 0.00 -1.01 0.00 0.00 64.21 62.91 2ja3 n SER 686 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2ja3 s PRO 687 N -3.06 3.09 0.09 1.43 0.04 -1.26 -5.02 135.00 130.31 2ja3 s PRO 687 Ca 0.42 0.95 -0.13 0.00 0.04 0.00 0.00 61.00 62.28 2ja3 s PRO 687 Cb 0.36 -2.01 -0.06 0.00 0.04 0.00 0.00 34.50 32.82 2ja3 s PRO 687 CO -0.09 -0.98 0.48 -0.06 0.04 0.00 0.00 177.00 176.38 2ja3 s PHE 688 N -3.00 3.64 0.04 0.56 0.40 -1.26 -5.01 117.98 113.34 2ja3 s PHE 688 Ca 0.58 0.97 0.07 0.00 -0.60 0.00 0.00 56.93 57.96 2ja3 s PHE 688 Cb -0.14 -2.29 -0.02 0.00 0.51 0.00 0.00 43.02 41.08 2ja3 s PHE 688 CO 0.53 0.51 -0.21 0.99 0.70 0.00 0.00 175.22 177.74 2ja3 s THR 689 N -1.35 1.69 0.04 0.64 2.01 -1.26 -2.02 115.64 115.38 2ja3 s THR 689 Ca 0.33 -1.18 -0.04 0.00 0.31 0.00 0.00 61.69 61.12 2ja3 s THR 689 Cb -0.15 -1.46 -0.02 0.00 0.01 0.00 0.00 72.50 70.88 2ja3 s THR 689 CO 0.18 0.24 0.05 0.54 -0.69 0.00 0.00 174.62 174.93 2ja3 s VAL 690 N -0.77 0.15 0.55 3.82 0.11 -0.87 -4.98 120.40 118.40 2ja3 s VAL 690 Ca 0.08 -1.20 -0.08 0.00 -2.93 0.00 0.00 61.98 57.85 2ja3 s VAL 690 Cb -0.09 -0.89 -0.03 0.00 -1.53 0.00 0.00 36.38 33.84 2ja3 s VAL 690 CO 0.02 -0.66 0.90 0.42 -3.33 0.00 0.00 175.10 172.45 2ja3 s THR 691 N -2.64 4.69 -0.23 5.04 -4.23 -1.26 -1.28 115.64 115.72 2ja3 s THR 691 Ca -0.05 0.47 0.26 0.00 -1.18 0.00 0.00 61.69 61.19 2ja3 s THR 691 Cb -0.01 -3.83 0.27 0.00 1.34 0.00 0.00 72.50 70.28 2ja3 s THR 691 CO -0.05 -0.94 1.79 -2.24 -0.54 0.00 0.00 174.62 172.64 2ja3 h ASP 692 N -0.06 0.00 -0.32 3.99 -0.00 -1.61 -2.45 116.42 115.98 2ja3 h ASP 692 Ca -0.46 0.00 -0.12 0.00 -0.00 0.00 0.00 57.03 56.45 2ja3 h ASP 692 Cb 1.20 0.00 -0.07 0.00 -0.00 0.00 0.00 39.33 40.46 2ja3 h ASP 692 CO 0.62 0.00 -0.03 0.18 -0.00 0.00 0.00 179.24 180.01 2ja3 n LEU 693 N -2.42 4.05 -4.65 0.15 4.77 -1.26 -2.79 117.00 114.84 2ja3 n LEU 693 Ca 0.00 -3.48 -0.42 0.00 -0.03 0.00 0.00 56.01 52.08 2ja3 n LEU 693 Cb 0.17 -0.60 -0.04 0.00 -2.33 0.00 0.00 43.42 40.62 2ja3 n LEU 693 CO 0.18 1.03 0.63 -0.89 -1.33 0.00 0.00 177.39 177.01 2ja3 s THR 694 N -3.09 4.86 0.24 -5.08 2.01 -0.92 -4.85 115.64 108.80 2ja3 s THR 694 Ca 0.44 1.58 -0.30 0.00 0.31 0.00 0.00 61.69 63.72 2ja3 s THR 694 Cb 0.38 -4.12 -0.15 0.00 0.01 0.00 0.00 72.50 68.63 2ja3 s THR 694 CO 0.03 -0.03 1.08 -2.65 -0.69 0.00 0.00 174.62 172.36 2ja3 n PRO 695 N 5.72 1.31 0.28 4.92 -0.02 -1.26 -1.58 135.00 144.36 2ja3 n PRO 695 Ca 0.05 0.46 0.15 0.00 -2.02 0.00 0.00 63.50 62.14 2ja3 n PRO 695 Cb 0.48 -1.89 0.80 0.00 -0.02 0.00 0.00 33.50 32.87 2ja3 n PRO 695 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 2ja3 h MET 696 N 2.59 0.00 0.00 -0.52 2.86 -1.73 -1.33 114.93 116.80 2ja3 h MET 696 Ca -0.41 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.23 2ja3 h MET 696 Cb 1.34 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.00 2ja3 h MET 696 CO 0.65 0.08 0.00 -0.85 1.06 0.00 0.00 176.91 177.85 2ja3 n GLU 697 N -3.45 0.20 -0.07 1.72 0.28 -1.26 -0.69 120.64 117.36 2ja3 n GLU 697 Ca -0.02 0.41 -0.11 0.00 -0.16 0.00 0.00 57.16 57.29 2ja3 n GLU 697 Cb 0.23 -1.87 -0.15 0.00 1.43 0.00 0.00 31.44 31.08 2ja3 n GLU 697 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 2ja3 n ILE 698 N -2.24 1.48 -0.20 3.84 5.41 -0.55 -3.46 119.36 123.65 2ja3 n ILE 698 Ca 0.02 -0.81 -0.10 0.00 1.00 0.00 0.00 62.75 62.87 2ja3 n ILE 698 Cb 0.24 -0.77 0.02 0.00 -0.71 0.00 0.00 39.64 38.41 2ja3 n ILE 698 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 2ja3 h VAL 699 N 0.00 1.27 -0.01 1.39 2.07 -0.96 -1.16 116.25 118.85 2ja3 h VAL 699 Ca -0.47 -1.20 -0.00 0.00 0.82 0.00 0.00 66.70 65.85 2ja3 h VAL 699 Cb 2.14 0.90 -0.00 0.00 -1.52 0.00 0.00 31.29 32.81 2ja3 h VAL 699 CO 0.04 0.43 0.00 0.58 0.02 0.00 0.00 177.57 178.64 2ja3 h VAL 700 N 0.92 1.12 -0.53 2.57 2.07 -1.09 -1.86 116.25 119.46 2ja3 h VAL 700 Ca 0.15 -0.36 0.10 0.00 0.82 0.00 0.00 66.70 67.41 2ja3 h VAL 700 Cb 0.61 1.35 -0.08 0.00 -1.52 0.00 0.00 31.29 31.65 2ja3 h VAL 700 CO 0.04 0.10 0.05 -0.78 0.02 0.00 0.00 177.57 177.00 2ja3 h ASP 701 N -0.13 -0.12 -0.50 0.57 3.58 -1.55 -1.53 116.42 116.73 2ja3 h ASP 701 Ca 0.00 0.11 -0.08 0.00 0.42 0.00 0.00 57.03 57.49 2ja3 h ASP 701 Cb 0.15 0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.36 2ja3 h ASP 701 CO -0.00 -0.04 0.03 0.40 -2.88 0.00 0.00 179.24 176.75 2ja3 h ILE 702 N 0.17 1.25 -0.49 2.25 2.04 -1.15 -1.92 117.51 119.66 2ja3 h ILE 702 Ca 0.27 -1.04 -0.06 0.00 1.00 0.00 0.00 64.86 65.03 2ja3 h ILE 702 Cb 0.40 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 2ja3 h ILE 702 CO -0.40 0.37 0.05 -0.26 0.00 0.00 0.00 178.15 177.91 2ja3 h PHE 703 N 0.85 0.81 0.52 1.37 -1.00 -0.65 -2.13 116.94 116.71 2ja3 h PHE 703 Ca 0.16 -0.09 -0.03 0.00 2.81 0.00 0.00 57.97 60.83 2ja3 h PHE 703 Cb 0.47 -0.23 0.01 0.00 3.61 0.00 0.00 35.95 39.80 2ja3 h PHE 703 CO 0.03 0.72 -0.25 -0.09 -1.61 0.00 0.00 178.31 177.11 2ja3 h ARG 704 N 0.74 -0.67 0.00 1.51 2.43 -1.10 -0.89 114.38 116.40 2ja3 h ARG 704 Ca 0.15 0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.33 2ja3 h ARG 704 Cb 0.37 0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 2ja3 h ARG 704 CO 0.01 -0.44 -0.18 0.87 -1.51 0.00 0.00 179.97 178.72 2ja3 h LYS 705 N -1.18 0.00 0.00 0.20 1.57 -1.39 -2.83 116.57 112.95 2ja3 h LYS 705 Ca -0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2ja3 h LYS 705 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 2ja3 h LYS 705 CO 0.12 0.18 -1.61 1.28 -0.57 0.00 0.00 179.45 178.85 2ja3 n LEU 706 N -4.25 0.27 -2.77 2.94 4.77 -0.80 -5.04 117.00 112.11 2ja3 n LEU 706 Ca -0.02 -0.15 -0.01 0.00 -0.03 0.00 0.00 56.01 55.79 2ja3 n LEU 706 Cb 0.25 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 2ja3 n LEU 706 CO 0.36 0.07 0.24 0.61 -1.33 0.00 0.00 177.39 177.34 2ja3 n GLY 707 N 1.40 -1.11 3.70 -0.72 0.00 -0.36 -5.01 105.19 103.09 2ja3 n GLY 707 Ca -0.01 0.50 -0.35 0.00 0.00 0.00 0.00 46.02 46.15 2ja3 n GLY 707 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ja3 s LEU 708 N -3.40 3.79 0.08 0.99 1.43 -1.06 -5.00 118.68 115.49 2ja3 s LEU 708 Ca 0.04 0.19 -0.09 0.00 -1.03 0.00 0.00 54.13 53.24 2ja3 s LEU 708 Cb -0.01 -1.90 -0.24 0.00 0.03 0.00 0.00 46.19 44.06 2ja3 s LEU 708 CO 0.63 0.33 1.16 0.03 0.23 0.00 0.00 176.35 178.73 2ja3 h ARG 709 N 5.53 0.45 -3.75 1.70 3.08 -1.94 -3.40 114.38 116.05 2ja3 h ARG 709 Ca -0.48 -0.63 -0.16 0.00 0.07 0.00 0.00 59.98 58.79 2ja3 h ARG 709 Cb 1.19 0.21 -0.06 0.00 0.08 0.00 0.00 29.97 31.39 2ja3 h ARG 709 CO 0.59 1.27 -0.07 1.14 -1.07 0.00 0.00 179.97 181.83 2ja3 s GLN 710 N -2.92 1.89 -0.29 0.04 0.00 -1.26 -0.40 119.66 116.72 2ja3 s GLN 710 Ca -0.07 -1.55 -0.11 0.00 -0.00 0.00 0.00 55.36 53.63 2ja3 s GLN 710 Cb 0.07 0.49 0.12 0.00 0.00 0.00 0.00 33.01 33.69 2ja3 s GLN 710 CO 0.90 -0.81 0.64 0.00 0.00 0.00 0.00 175.29 176.02 2ja3 s LEU 712 N 2.61 4.21 -0.09 0.00 1.43 -0.86 -0.91 118.68 125.06 2ja3 s LEU 712 Ca -0.07 1.30 0.02 0.00 -1.03 0.00 0.00 54.13 54.35 2ja3 s LEU 712 Cb -0.11 -3.78 -0.02 0.00 0.03 0.00 0.00 46.19 42.32 2ja3 s LEU 712 CO -0.19 -0.07 -0.14 -0.69 0.23 0.00 0.00 176.35 175.49 2ja3 s VAL 713 N -1.74 3.03 0.11 -1.59 1.01 0.14 -2.05 120.40 119.31 2ja3 s VAL 713 Ca 0.48 -0.70 0.04 0.00 0.00 0.00 0.00 61.98 61.79 2ja3 s VAL 713 Cb -0.13 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 2ja3 s VAL 713 CO 0.19 0.55 -0.10 0.42 0.00 0.00 0.00 175.10 176.17 2ja3 s THR 714 N -0.13 1.00 -0.20 3.92 -4.23 -0.41 -0.17 115.64 115.42 2ja3 s THR 714 Ca -0.01 -1.76 0.01 0.00 -1.18 0.00 0.00 61.69 58.75 2ja3 s THR 714 Cb -0.14 -1.50 0.04 0.00 1.34 0.00 0.00 72.50 72.24 2ja3 s THR 714 CO 0.03 -0.62 -0.10 -2.28 -0.54 0.00 0.00 174.62 171.11 2ja3 s HIS 715 N -2.71 2.49 -1.57 3.99 2.46 0.00 -1.44 115.29 118.51 2ja3 s HIS 715 Ca 0.09 -1.65 -0.05 0.00 0.47 0.00 0.00 55.06 53.92 2ja3 s HIS 715 Cb -0.01 -1.67 0.05 0.00 -0.13 0.00 0.00 32.58 30.82 2ja3 s HIS 715 CO -0.00 -0.76 0.27 0.09 -2.47 0.00 0.00 174.74 171.87 2ja3 n ASN 716 N 4.66 -0.17 0.00 9.88 3.02 -1.26 -1.66 115.26 129.73 2ja3 n ASN 716 Ca -0.15 -1.17 0.00 0.00 -0.03 0.00 0.00 54.58 53.23 2ja3 n ASN 716 Cb 0.46 -2.13 0.00 0.00 -0.61 0.00 0.00 39.78 37.51 2ja3 n ASN 716 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ja3 n GLY 717 N -2.11 0.59 3.49 7.41 0.00 -1.26 -5.06 105.19 108.24 2ja3 n GLY 717 Ca -0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 2ja3 n GLY 717 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ja3 s ARG 718 N -0.81 3.37 0.23 1.61 0.52 -0.67 -4.65 118.95 118.55 2ja3 s ARG 718 Ca 0.00 -0.57 -0.31 0.00 -0.52 0.00 0.00 55.73 54.33 2ja3 s ARG 718 Cb 0.00 -2.76 -0.11 0.00 0.52 0.00 0.00 34.95 32.60 2ja3 s ARG 718 CO 0.00 0.34 1.65 -1.17 0.02 0.00 0.00 175.30 176.14 2ja3 s LEU 719 N 0.06 4.36 -0.02 2.53 2.96 -0.37 -0.82 118.68 127.39 2ja3 s LEU 719 Ca -0.02 2.84 -0.02 0.00 -0.22 0.00 0.00 54.13 56.72 2ja3 s LEU 719 Cb -0.14 -3.61 -0.01 0.00 0.50 0.00 0.00 46.19 42.93 2ja3 s LEU 719 CO 0.03 -0.92 -0.04 -0.11 -1.32 0.00 0.00 176.35 173.99 2ja3 n LEU 720 N 3.40 0.30 0.00 -0.68 0.00 0.76 -4.88 117.00 115.91 2ja3 n LEU 720 Ca 0.13 0.05 0.00 0.00 0.00 0.00 0.00 56.01 56.19 2ja3 n LEU 720 Cb 0.37 -0.12 0.00 0.00 0.00 0.00 0.00 43.42 43.67 2ja3 n LEU 720 CO 0.63 0.00 0.00 0.61 0.00 0.00 0.00 177.39 178.63 2ja3 n GLY 721 N 2.84 2.70 3.12 -3.96 0.00 -0.84 -4.76 105.19 104.28 2ja3 n GLY 721 Ca -0.06 -1.13 -0.12 0.00 0.00 0.00 0.00 46.02 44.72 2ja3 n GLY 721 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2ja3 s ILE 722 N -2.70 0.64 -0.06 -0.61 2.07 -0.34 -0.68 121.20 119.51 2ja3 s ILE 722 Ca 0.00 -1.48 -0.03 0.00 -1.41 0.00 0.00 60.65 57.74 2ja3 s ILE 722 Cb 0.00 -1.11 0.04 0.00 0.13 0.00 0.00 42.46 41.51 2ja3 s ILE 722 CO 0.00 -0.60 0.09 -0.63 -1.91 0.00 0.00 174.94 171.89 2ja3 s ILE 723 N -2.39 -0.15 0.29 2.00 1.01 -0.09 -1.29 121.20 120.58 2ja3 s ILE 723 Ca 0.00 0.37 0.07 0.00 0.00 0.00 0.00 60.65 61.09 2ja3 s ILE 723 Cb -0.03 -0.22 -0.03 0.00 0.01 0.00 0.00 42.46 42.19 2ja3 s ILE 723 CO -0.02 0.14 0.28 0.42 0.00 0.00 0.00 174.94 175.76 2ja3 s THR 724 N 2.20 4.16 0.26 2.92 -4.23 -1.26 -0.05 115.64 119.64 2ja3 s THR 724 Ca 0.04 -1.29 -0.09 0.00 -1.18 0.00 0.00 61.69 59.17 2ja3 s THR 724 Cb -0.12 -3.38 0.40 0.00 1.34 0.00 0.00 72.50 70.74 2ja3 s THR 724 CO -0.04 -0.26 1.58 0.50 -0.54 0.00 0.00 174.62 175.86 2ja3 h LYS 725 N 1.29 0.00 -0.94 3.99 3.64 -0.96 0.16 116.57 123.76 2ja3 h LYS 725 Ca -0.47 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 58.92 2ja3 h LYS 725 Cb 1.25 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 33.02 2ja3 h LYS 725 CO 0.59 0.00 0.62 -0.22 -2.27 0.00 0.00 179.45 178.17 2ja3 h LYS 726 N 0.00 1.25 -0.13 1.90 3.64 -1.95 -2.16 116.57 119.12 2ja3 h LYS 726 Ca 0.44 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.71 2ja3 h LYS 726 Cb 0.69 -0.28 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 2ja3 h LYS 726 CO -0.92 0.83 -0.05 -0.44 -2.27 0.00 0.00 179.45 176.60 2ja3 h ASP 727 N 1.28 0.17 -0.09 4.20 5.19 -1.07 -0.60 116.42 125.50 2ja3 h ASP 727 Ca 0.34 -0.02 -0.02 0.00 -0.62 0.00 0.00 57.03 56.72 2ja3 h ASP 727 Cb -0.14 -0.04 -0.00 0.00 0.18 0.00 0.00 39.33 39.33 2ja3 h ASP 727 CO -0.07 0.25 -0.01 0.58 -3.12 0.00 0.00 179.24 176.87 2ja3 h VAL 728 N 0.18 1.27 -0.32 -1.35 2.07 -1.01 -2.69 116.25 114.39 2ja3 h VAL 728 Ca 0.04 -0.85 0.04 0.00 0.82 0.00 0.00 66.70 66.76 2ja3 h VAL 728 Cb 0.21 1.65 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 2ja3 h VAL 728 CO 0.01 0.24 0.07 -0.07 0.02 0.00 0.00 177.57 177.84 2ja3 h LEU 729 N -0.13 0.03 -1.84 2.57 3.38 -0.90 -0.22 115.31 118.20 2ja3 h LEU 729 Ca 0.03 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.09 2ja3 h LEU 729 Cb 0.38 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 2ja3 h LEU 729 CO 0.01 0.05 0.21 0.11 0.09 0.00 0.00 178.44 178.90 2ja3 h LYS 730 N 0.19 0.19 0.00 1.13 1.57 -1.17 0.10 116.57 118.59 2ja3 h LYS 730 Ca 0.15 -0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 58.78 2ja3 h LYS 730 Cb 0.16 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 2ja3 h LYS 730 CO -0.19 0.13 -0.64 1.25 -0.57 0.00 0.00 179.45 179.43 2ja3 h HIS 731 N 0.20 0.00 -0.16 -1.35 2.76 -0.82 -2.94 115.15 112.84 2ja3 h HIS 731 Ca 0.13 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.23 2ja3 h HIS 731 Cb 0.27 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.23 2ja3 h HIS 731 CO -0.00 0.64 -0.20 0.82 -1.30 0.00 0.00 177.93 177.90 2ja3 h ILE 732 N 0.00 1.35 0.00 6.26 2.04 0.65 -2.99 117.51 124.82 2ja3 h ILE 732 Ca -0.01 -1.39 -0.00 0.00 1.00 0.00 0.00 64.86 64.46 2ja3 h ILE 732 Cb 1.19 1.90 -0.00 0.00 -0.74 0.00 0.00 36.82 39.17 2ja3 h ILE 732 CO 0.08 0.41 -0.02 0.00 0.00 0.00 0.00 178.15 178.63 2ja3 h ALA 733 N 0.60 1.33 -0.35 1.87 0.00 -1.30 -0.73 119.26 120.68 2ja3 h ALA 733 Ca 0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2ja3 h ALA 733 Cb 0.75 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2ja3 h ALA 733 CO 0.05 0.02 0.16 0.37 0.00 0.00 0.00 179.25 179.84 2ja3 h GLN 734 N 0.00 0.48 -5.87 0.00 5.75 -1.35 -3.52 115.11 110.60 2ja3 h GLN 734 Ca -0.00 -0.05 -0.58 0.00 -0.15 0.00 0.00 58.65 57.87 2ja3 h GLN 734 Cb 0.06 -0.10 -0.06 0.00 1.07 0.00 0.00 27.48 28.45 2ja3 h GLN 734 CO 0.00 0.39 -0.38 0.00 -2.65 0.00 0.00 178.83 176.18 2ja3 s MET 735 N -5.28 2.27 0.00 1.69 0.23 -0.29 -5.13 119.30 112.80 2ja3 s MET 735 Ca -0.08 -1.96 0.00 0.00 -1.03 0.00 0.00 55.69 52.62 2ja3 s MET 735 Cb 0.17 -2.04 0.00 0.00 -1.53 0.00 0.00 34.83 31.43 2ja3 s MET 735 CO 0.74 -0.42 0.00 0.44 -2.03 0.00 0.00 175.02 173.75 2ja3 n ILE 743 N -1.55 0.00 1.37 3.16 -5.35 -1.26 -4.92 119.36 110.81 2ja3 n ILE 743 Ca -0.03 0.00 0.09 0.00 -0.27 0.00 0.00 62.75 62.54 2ja3 n ILE 743 Cb 0.64 0.00 0.35 0.00 -1.74 0.00 0.00 39.64 38.89 2ja3 n ILE 743 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2ja3 n LEU 744 N 0.00 1.25 -0.02 7.28 -0.00 -1.26 -4.23 117.00 120.02 2ja3 n LEU 744 Ca 0.00 -0.55 -0.13 0.00 -0.00 0.00 0.00 56.01 55.33 2ja3 n LEU 744 Cb 0.00 -0.10 -0.10 0.00 -0.00 0.00 0.00 43.42 43.22 2ja3 n LEU 744 CO 0.00 0.28 0.49 0.15 -0.00 0.00 0.00 177.39 178.30 2ja3 h PHE 745 N 1.58 -0.04 -0.33 1.47 3.57 -1.99 -3.33 116.94 117.86 2ja3 h PHE 745 Ca 0.00 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 2ja3 h PHE 745 Cb 0.35 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 2ja3 h PHE 745 CO 0.10 0.59 0.10 -0.91 -2.23 0.00 0.00 178.31 175.97 2ja3 h ASN 746 N -0.76 0.43 -0.75 0.41 4.21 -2.00 -3.11 115.58 114.01 2ja3 h ASN 746 Ca -0.00 -0.05 0.22 0.00 1.21 0.00 0.00 56.30 57.68 2ja3 h ASN 746 Cb 0.66 -0.11 -0.03 0.00 -1.12 0.00 0.00 38.32 37.72 2ja3 h ASN 746 CO 0.01 0.42 0.56 1.05 -1.29 0.00 0.00 177.43 178.18 2ja3 h GLU 747 N 0.47 0.00 -2.13 0.81 4.11 -1.81 -2.62 114.58 113.41 2ja3 h GLU 747 Ca 0.11 0.00 -0.55 0.00 0.07 0.00 0.00 59.36 58.99 2ja3 h GLU 747 Cb 0.15 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 29.24 2ja3 h GLU 747 CO -0.01 0.00 0.83 1.97 0.07 0.00 0.00 179.01 181.87 2ja3 n PHE 748 N -4.25 1.82 -0.05 2.06 -1.74 -1.18 -5.19 117.46 108.93 2ja3 n PHE 748 Ca 0.15 -2.13 0.00 0.00 -0.56 0.00 0.00 57.45 54.91 2ja3 n PHE 748 Cb 0.84 -1.48 0.00 0.00 1.52 0.00 0.00 39.48 40.36 2ja3 n PHE 748 CO 0.00 0.00 0.00 1.28 -0.56 0.00 0.00 176.76 177.48