#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jw0 h GLU 576 N 0.00 0.13 -0.07 -1.08 5.08 -2.05 0.44 114.58 117.03 3jw0 h GLU 576 Ca 0.00 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3jw0 h GLU 576 Cb 0.00 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 3jw0 h GLU 576 CO 0.00 0.08 0.01 0.35 -1.00 0.00 0.00 179.01 178.45 3jw0 h PHE 577 N 0.13 0.13 -0.38 4.33 3.57 -2.04 -2.03 116.94 120.65 3jw0 h PHE 577 Ca 0.47 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 62.01 3jw0 h PHE 577 Cb 0.87 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 39.53 3jw0 h PHE 577 CO -0.38 0.36 0.07 -0.22 -2.23 0.00 0.00 178.31 175.90 3jw0 h LYS 578 N -0.13 0.19 -0.01 1.11 3.64 -1.39 -0.51 116.57 119.46 3jw0 h LYS 578 Ca 0.02 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.40 3jw0 h LYS 578 Cb 0.30 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 3jw0 h LYS 578 CO 0.00 0.12 -0.19 1.96 -2.27 0.00 0.00 179.45 179.07 3jw0 h GLN 579 N 0.19 -0.23 -0.47 1.90 4.20 -0.09 -2.79 115.11 117.83 3jw0 h GLN 579 Ca 0.18 0.02 0.08 0.00 0.06 0.00 0.00 58.65 58.99 3jw0 h GLN 579 Cb 0.22 0.05 -0.10 0.00 0.30 0.00 0.00 27.48 27.96 3jw0 h GLN 579 CO -0.25 -0.15 -0.42 0.87 -0.67 0.00 0.00 178.83 178.21 3jw0 h LYS 580 N -0.24 -0.27 -0.66 1.46 1.57 -1.11 -2.62 116.57 114.70 3jw0 h LYS 580 Ca 0.01 0.02 0.11 0.00 -1.87 0.00 0.00 60.65 58.91 3jw0 h LYS 580 Cb 0.26 0.06 -0.12 0.00 0.08 0.00 0.00 32.23 32.51 3jw0 h LYS 580 CO -0.13 -0.18 -0.37 -0.92 -0.57 0.00 0.00 179.45 177.27 3jw0 h TYR 581 N -0.29 -1.06 -0.11 -1.35 3.20 -0.95 -0.56 116.97 115.86 3jw0 h TYR 581 Ca 0.16 0.08 0.03 0.00 3.14 0.00 0.00 58.73 62.14 3jw0 h TYR 581 Cb 0.57 0.56 -0.03 0.00 1.54 0.00 0.00 36.73 39.37 3jw0 h TYR 581 CO -0.65 -0.40 -0.08 -0.44 -1.64 0.00 0.00 178.16 174.95 3jw0 h ASP 582 N -0.15 -0.26 -0.53 -2.11 5.19 -1.20 0.14 116.42 117.50 3jw0 h ASP 582 Ca 0.24 0.06 0.12 0.00 -0.62 0.00 0.00 57.03 56.82 3jw0 h ASP 582 Cb 0.56 0.13 -0.03 0.00 0.18 0.00 0.00 39.33 40.17 3jw0 h ASP 582 CO -0.74 -0.11 0.37 0.22 -3.12 0.00 0.00 179.24 175.86 3jw0 h TYR 583 N -0.09 0.21 0.27 4.55 3.20 -1.13 -1.40 116.97 122.59 3jw0 h TYR 583 Ca 0.07 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 3jw0 h TYR 583 Cb 0.19 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.40 3jw0 h TYR 583 CO -0.20 0.09 -0.13 0.35 -1.64 0.00 0.00 178.16 176.63 3jw0 h PHE 584 N 0.19 -0.34 -0.56 -3.82 3.57 0.64 -2.94 116.94 113.68 3jw0 h PHE 584 Ca 0.25 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.86 3jw0 h PHE 584 Cb 0.74 0.11 -0.11 0.00 2.79 0.00 0.00 35.95 39.48 3jw0 h PHE 584 CO -0.00 -0.02 -0.19 0.00 -2.23 0.00 0.00 178.31 175.88 3jw0 h ARG 585 N -0.69 -0.05 -0.24 1.11 2.47 0.25 -2.88 114.38 114.35 3jw0 h ARG 585 Ca -0.04 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.68 3jw0 h ARG 585 Cb 0.48 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.80 3jw0 h ARG 585 CO 0.06 -0.03 0.12 -0.22 0.56 0.00 0.00 179.97 180.46 3jw0 h LYS 586 N -0.05 0.35 -0.70 0.04 1.63 -1.43 -2.63 116.57 113.77 3jw0 h LYS 586 Ca 0.27 -0.05 0.20 0.00 -0.85 0.00 0.00 60.65 60.22 3jw0 h LYS 586 Cb 0.46 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 32.00 3jw0 h LYS 586 CO -0.61 0.33 0.65 0.87 -3.45 0.00 0.00 179.45 177.25 3jw0 h LYS 587 N 0.27 0.00 -7.05 1.90 1.57 -1.32 -3.40 116.57 108.54 3jw0 h LYS 587 Ca 0.08 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.34 3jw0 h LYS 587 Cb 0.10 0.00 0.09 0.00 0.08 0.00 0.00 32.23 32.50 3jw0 h LYS 587 CO -0.01 0.00 0.50 -0.51 -0.57 0.00 0.00 179.45 178.85 3jw0 s LEU 588 N -7.62 3.84 -0.04 2.94 1.43 -0.99 -5.03 118.68 113.21 3jw0 s LEU 588 Ca -0.04 2.40 -0.02 0.00 -1.03 0.00 0.00 54.13 55.43 3jw0 s LEU 588 Cb 0.17 -4.40 0.02 0.00 0.03 0.00 0.00 46.19 42.01 3jw0 s LEU 588 CO 0.61 -1.28 0.09 -0.54 0.23 0.00 0.00 176.35 175.46 3jw0 s LYS 589 N -3.01 0.07 -0.21 1.70 1.02 -1.26 -5.05 119.74 113.00 3jw0 s LYS 589 Ca 0.71 0.22 -0.25 0.00 0.02 0.00 0.00 55.97 56.66 3jw0 s LYS 589 Cb -0.31 -0.10 -0.01 0.00 -0.52 0.00 0.00 37.83 36.90 3jw0 s LYS 589 CO 0.35 -0.10 0.84 0.21 -0.92 0.00 0.00 175.35 175.74 3jw0 s LYS 590 N 0.66 4.24 0.82 1.68 2.47 -1.26 -5.04 119.74 123.31 3jw0 s LYS 590 Ca -0.05 1.00 -0.11 0.00 -1.56 0.00 0.00 55.97 55.25 3jw0 s LYS 590 Cb -0.07 -3.61 0.09 0.00 -1.46 0.00 0.00 37.83 32.78 3jw0 s LYS 590 CO -0.03 -0.43 1.12 -1.25 0.16 0.00 0.00 175.35 174.92 3jw0 s PRO 591 N 2.53 1.79 0.08 4.03 0.04 -1.26 -4.96 135.00 137.25 3jw0 s PRO 591 Ca 0.37 1.36 0.23 0.00 0.04 0.00 0.00 61.00 63.00 3jw0 s PRO 591 Cb -0.16 -1.83 0.14 0.00 0.04 0.00 0.00 34.50 32.69 3jw0 s PRO 591 CO 0.10 -2.02 1.12 0.00 0.04 0.00 0.00 177.00 176.23 3jw0 n ALA 592 N -3.70 3.16 -1.63 8.56 0.00 -1.26 -4.40 120.51 121.25 3jw0 n ALA 592 Ca 0.10 -0.34 -0.37 0.00 0.00 0.00 0.00 53.44 52.83 3jw0 n ALA 592 Cb 0.52 -1.04 0.06 0.00 0.00 0.00 0.00 19.45 18.99 3jw0 n ALA 592 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3jw0 n ASP 593 N -2.07 7.62 -4.12 0.00 5.75 -1.26 -4.94 116.55 117.53 3jw0 n ASP 593 Ca 0.02 -3.81 -0.17 0.00 -0.01 0.00 0.00 54.79 50.81 3jw0 n ASP 593 Cb 0.45 -1.03 -0.12 0.00 -1.03 0.00 0.00 41.12 39.39 3jw0 n ASP 593 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 3jw0 s ILE 594 N -4.95 0.93 1.03 2.12 -4.36 -1.26 -4.97 121.20 109.74 3jw0 s ILE 594 Ca 0.58 -1.08 -0.21 0.00 -0.26 0.00 0.00 60.65 59.68 3jw0 s ILE 594 Cb 0.47 -0.89 -0.06 0.00 1.25 0.00 0.00 42.46 43.23 3jw0 s ILE 594 CO -0.22 -0.17 -0.63 -2.65 0.24 0.00 0.00 174.94 171.51 3jw0 n PRO 595 N 1.63 -0.56 0.04 0.37 -0.02 -1.26 -4.87 135.00 130.33 3jw0 n PRO 595 Ca -0.20 -0.15 -0.03 0.00 -2.02 0.00 0.00 63.50 61.09 3jw0 n PRO 595 Cb 0.55 -1.35 0.20 0.00 -0.02 0.00 0.00 33.50 32.88 3jw0 n PRO 595 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 3jw0 h ASN 596 N -1.43 0.41 -5.33 2.55 2.35 -1.97 -3.45 115.58 108.71 3jw0 h ASN 596 Ca -0.45 -0.15 -0.11 0.00 -0.55 0.00 0.00 56.30 55.03 3jw0 h ASN 596 Cb 1.35 -0.11 -0.10 0.00 0.05 0.00 0.00 38.32 39.51 3jw0 h ASN 596 CO 0.29 0.72 -0.22 -0.13 -1.65 0.00 0.00 177.43 176.44 3jw0 s ARG 597 N -4.35 1.51 -0.22 0.81 0.52 -1.26 -3.69 118.95 112.27 3jw0 s ARG 597 Ca -0.06 -1.36 -0.08 0.00 -0.52 0.00 0.00 55.73 53.70 3jw0 s ARG 597 Cb 0.13 0.43 -0.04 0.00 0.52 0.00 0.00 34.95 36.00 3jw0 s ARG 597 CO 0.79 -0.61 0.10 0.12 0.02 0.00 0.00 175.30 175.71 3jw0 s PHE 598 N -3.97 3.20 -0.45 -0.53 5.36 0.25 -4.77 117.98 117.07 3jw0 s PHE 598 Ca 0.26 -0.05 -0.29 0.00 -0.96 0.00 0.00 56.93 55.89 3jw0 s PHE 598 Cb 0.01 -2.20 0.03 0.00 -0.34 0.00 0.00 43.02 40.52 3jw0 s PHE 598 CO 0.10 -0.06 1.17 -1.21 -1.46 0.00 0.00 175.22 173.76 3jw0 s GLU 599 N 1.05 3.75 -0.04 10.12 0.41 -1.26 -1.76 118.70 130.97 3jw0 s GLU 599 Ca 0.05 0.69 -0.00 0.00 -0.41 0.00 0.00 54.97 55.30 3jw0 s GLU 599 Cb -0.14 -3.90 0.03 0.00 -1.78 0.00 0.00 34.13 28.34 3jw0 s GLU 599 CO 0.04 -1.34 0.01 -1.64 -0.49 0.00 0.00 175.26 171.83 3jw0 s MET 600 N 4.42 0.30 -0.19 1.61 -1.94 0.27 -5.02 119.30 118.75 3jw0 s MET 600 Ca 0.49 0.12 -0.05 0.00 -1.71 0.00 0.00 55.69 54.55 3jw0 s MET 600 Cb -0.09 -0.55 0.09 0.00 2.01 0.00 0.00 34.83 36.29 3jw0 s MET 600 CO 0.30 -0.18 0.32 -1.59 -0.01 0.00 0.00 175.02 173.86 3jw0 s LYS 601 N 1.29 0.25 0.10 2.03 -2.85 -1.25 -1.07 119.74 118.24 3jw0 s LYS 601 Ca -0.06 0.66 -0.12 0.00 -1.00 0.00 0.00 55.97 55.45 3jw0 s LYS 601 Cb -0.13 -0.27 0.01 0.00 -2.06 0.00 0.00 37.83 35.38 3jw0 s LYS 601 CO -0.02 -0.44 0.28 -0.51 0.10 0.00 0.00 175.35 174.76 3jw0 s LEU 602 N 2.48 0.98 -0.08 2.77 1.43 -0.76 -4.94 118.68 120.56 3jw0 s LEU 602 Ca 0.05 -0.50 -0.30 0.00 -1.03 0.00 0.00 54.13 52.35 3jw0 s LEU 602 Cb -0.14 1.38 -0.02 0.00 0.03 0.00 0.00 46.19 47.44 3jw0 s LEU 602 CO -0.12 -0.78 1.14 -1.00 0.23 0.00 0.00 176.35 175.82 3jw0 s HIS 603 N -3.80 3.28 0.39 0.29 3.76 -1.26 -3.63 115.29 114.32 3jw0 s HIS 603 Ca 0.04 1.32 0.17 0.00 -0.15 0.00 0.00 55.06 56.44 3jw0 s HIS 603 Cb 0.03 -3.35 1.06 0.00 1.11 0.00 0.00 32.58 31.43 3jw0 s HIS 603 CO -0.11 -0.99 1.80 -0.09 -0.85 0.00 0.00 174.74 174.50 3jw0 h ARG 604 N 7.38 0.43 0.00 1.40 2.43 -1.94 -1.41 114.38 122.67 3jw0 h ARG 604 Ca -0.32 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.82 3jw0 h ARG 604 Cb 1.15 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 3jw0 h ARG 604 CO 0.88 0.28 0.00 0.27 -1.51 0.00 0.00 179.97 179.89 3jw0 n ASN 605 N -4.60 0.00 -1.96 -3.80 6.94 -1.26 -3.27 115.26 107.31 3jw0 n ASN 605 Ca 0.23 -1.27 -0.01 0.00 -0.02 0.00 0.00 54.58 53.51 3jw0 n ASN 605 Cb 0.79 0.00 0.03 0.00 -2.36 0.00 0.00 39.78 38.24 3jw0 n ASN 605 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 3jw0 n ASN 606 N -0.77 -0.04 -0.09 0.53 4.05 -0.55 -4.99 115.26 113.39 3jw0 n ASN 606 Ca 0.11 -2.06 -0.06 0.00 0.45 0.00 0.00 54.58 53.02 3jw0 n ASN 606 Cb 0.05 0.07 0.00 0.00 1.23 0.00 0.00 39.78 41.14 3jw0 n ASN 606 CO 0.00 0.00 0.00 -0.29 -3.05 0.00 0.00 177.26 173.92 3jw0 h ILE 607 N 5.38 0.54 0.00 -1.44 2.10 -1.48 -2.75 117.51 119.85 3jw0 h ILE 607 Ca -0.36 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.58 3jw0 h ILE 607 Cb 1.47 0.54 0.00 0.00 -1.09 0.00 0.00 36.82 37.74 3jw0 h ILE 607 CO -0.06 0.00 0.00 0.33 -1.08 0.00 0.00 178.15 177.34 3jw0 n PHE 608 N -5.33 0.00 -0.16 2.19 7.35 -1.26 -0.17 117.46 120.09 3jw0 n PHE 608 Ca 0.01 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.67 3jw0 n PHE 608 Cb 0.24 -0.44 0.04 0.00 0.35 0.00 0.00 39.48 39.67 3jw0 n PHE 608 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 3jw0 h GLU 609 N 0.00 0.03 0.01 -4.13 3.07 -1.99 0.20 114.58 111.77 3jw0 h GLU 609 Ca 0.00 -0.00 0.01 0.00 -0.50 0.00 0.00 59.36 58.87 3jw0 h GLU 609 Cb 0.00 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 27.89 3jw0 h GLU 609 CO 0.00 0.02 -0.06 0.93 -1.40 0.00 0.00 179.01 178.50 3jw0 h GLU 610 N 0.03 -0.10 -0.76 2.33 5.08 -1.42 -0.75 114.58 119.00 3jw0 h GLU 610 Ca 0.24 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.69 3jw0 h GLU 610 Cb 0.37 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.58 3jw0 h GLU 610 CO -0.48 -0.07 0.42 0.77 -1.00 0.00 0.00 179.01 178.66 3jw0 h SER 611 N -0.10 0.61 -0.12 1.42 0.02 -0.02 -2.10 113.55 113.25 3jw0 h SER 611 Ca 0.02 0.04 0.04 0.00 -0.84 0.00 0.00 61.79 61.05 3jw0 h SER 611 Cb 0.13 -0.08 -0.05 0.00 0.14 0.00 0.00 62.40 62.54 3jw0 h SER 611 CO -0.05 0.37 -0.18 0.22 -1.14 0.00 0.00 176.83 176.05 3jw0 h TYR 612 N 0.74 -0.47 -0.53 3.45 3.20 0.10 -2.02 116.97 121.45 3jw0 h TYR 612 Ca 0.35 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.24 3jw0 h TYR 612 Cb 0.28 0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.75 3jw0 h TYR 612 CO -0.07 -0.26 0.31 0.00 -1.64 0.00 0.00 178.16 176.51 3jw0 h ARG 613 N -0.23 0.72 0.00 1.82 3.08 -0.65 -1.34 114.38 117.78 3jw0 h ARG 613 Ca 0.10 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3jw0 h ARG 613 Cb 0.37 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.27 3jw0 h ARG 613 CO -0.26 0.53 0.00 -2.13 -1.07 0.00 0.00 179.97 177.04 3jw0 n ARG 614 N -4.67 0.00 -0.34 0.04 3.00 -0.84 -2.96 116.66 110.90 3jw0 n ARG 614 Ca 0.03 0.44 0.20 0.00 -0.00 0.00 0.00 57.85 58.52 3jw0 n ARG 614 Cb 0.06 -1.43 0.43 0.00 0.00 0.00 0.00 32.46 31.52 3jw0 n ARG 614 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 3jw0 h ILE 615 N 0.00 0.52 -0.45 5.15 1.08 -1.46 -1.97 117.51 120.38 3jw0 h ILE 615 Ca 0.00 -0.17 -0.22 0.00 -0.39 0.00 0.00 64.86 64.08 3jw0 h ILE 615 Cb 0.00 -0.03 -0.13 0.00 -3.07 0.00 0.00 36.82 33.59 3jw0 h ILE 615 CO 0.00 0.09 0.28 0.23 -0.69 0.00 0.00 178.15 178.06 3jw0 n MET 616 N -4.80 1.74 0.00 2.37 2.81 -0.51 -3.68 117.12 115.05 3jw0 n MET 616 Ca 0.27 -1.44 0.00 0.00 -1.81 0.00 0.00 57.70 54.72 3jw0 n MET 616 Cb 0.81 -1.60 0.00 0.00 -0.71 0.00 0.00 33.22 31.73 3jw0 n MET 616 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 3jw0 n SER 617 N -0.21 2.88 -4.64 7.83 3.41 -0.74 -4.95 113.62 117.19 3jw0 n SER 617 Ca 0.27 0.00 -0.45 0.00 -0.26 0.00 0.00 58.87 58.42 3jw0 n SER 617 Cb 1.02 0.43 -0.02 0.00 -0.26 0.00 0.00 64.21 65.37 3jw0 n SER 617 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3jw0 n VAL 618 N -1.12 1.23 -0.03 -3.33 0.24 -1.23 -4.87 118.33 109.23 3jw0 n VAL 618 Ca 0.00 -0.31 0.04 0.00 -2.04 0.00 0.00 64.34 62.04 3jw0 n VAL 618 Cb 0.14 -1.29 -0.13 0.00 -1.47 0.00 0.00 33.84 31.10 3jw0 n VAL 618 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3jw0 n LYS 619 N 1.58 0.74 -3.30 7.34 5.02 -1.26 -4.53 118.16 123.75 3jw0 n LYS 619 Ca 0.11 -0.12 -0.44 0.00 -2.02 0.00 0.00 58.31 55.84 3jw0 n LYS 619 Cb 0.31 -1.41 -0.00 0.00 -0.02 0.00 0.00 35.03 33.90 3jw0 n LYS 619 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3jw0 n ARG 620 N -2.23 3.64 0.16 1.97 1.74 -1.26 -4.87 116.66 115.81 3jw0 n ARG 620 Ca -0.09 -4.48 0.03 0.00 -0.77 0.00 0.00 57.85 52.54 3jw0 n ARG 620 Cb 0.60 -2.53 0.17 0.00 -1.02 0.00 0.00 32.46 29.68 3jw0 n ARG 620 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3jw0 n PRO 621 N 2.40 0.05 -0.03 5.56 -0.04 -1.26 -0.68 135.00 141.00 3jw0 n PRO 621 Ca 0.24 0.51 -0.07 0.00 -0.04 0.00 0.00 63.50 64.14 3jw0 n PRO 621 Cb 0.38 -2.19 0.10 0.00 -0.04 0.00 0.00 33.50 31.75 3jw0 n PRO 621 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3jw0 h ASP 622 N 0.00 0.65 -1.02 3.54 5.19 -1.89 -3.10 116.42 119.78 3jw0 h ASP 622 Ca 0.00 -0.28 0.30 0.00 -0.62 0.00 0.00 57.03 56.43 3jw0 h ASP 622 Cb 1.06 -0.18 -0.04 0.00 0.18 0.00 0.00 39.33 40.34 3jw0 h ASP 622 CO 0.00 0.95 0.74 -0.37 -3.12 0.00 0.00 179.24 177.44 3jw0 h VAL 623 N 0.52 0.48 0.00 -1.35 -1.51 -1.28 0.43 116.25 113.54 3jw0 h VAL 623 Ca 0.05 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.52 3jw0 h VAL 623 Cb 0.87 0.49 0.00 0.00 -2.13 0.00 0.00 31.29 30.51 3jw0 h VAL 623 CO 0.07 0.00 0.00 0.18 -1.23 0.00 0.00 177.57 176.59 3jw0 n LEU 624 N -4.22 0.00 -0.47 4.19 4.77 -1.17 -1.10 117.00 119.00 3jw0 n LEU 624 Ca 0.22 0.35 0.14 0.00 -0.03 0.00 0.00 56.01 56.68 3jw0 n LEU 624 Cb 1.09 -0.35 0.52 0.00 -2.33 0.00 0.00 43.42 42.35 3jw0 n LEU 624 CO 0.40 -0.25 0.87 0.29 -1.33 0.00 0.00 177.39 177.36 3jw0 n LYS 625 N -1.35 1.65 -1.79 3.23 5.02 0.15 -4.88 118.16 120.19 3jw0 n LYS 625 Ca 0.04 -0.94 -0.30 0.00 -2.02 0.00 0.00 58.31 55.08 3jw0 n LYS 625 Cb 0.08 -1.47 0.06 0.00 -0.02 0.00 0.00 35.03 33.68 3jw0 n LYS 625 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3jw0 s ALA 626 N -1.97 2.71 0.55 7.82 0.00 -0.26 -4.96 121.76 125.65 3jw0 s ALA 626 Ca 0.38 -0.31 -0.21 0.00 0.00 0.00 0.00 51.96 51.81 3jw0 s ALA 626 Cb 0.21 -3.05 -0.05 0.00 0.00 0.00 0.00 23.12 20.23 3jw0 s ALA 626 CO 0.33 -1.32 1.35 1.03 0.00 0.00 0.00 175.76 177.15 3jw0 s ARG 627 N -5.31 3.10 -0.25 0.00 0.52 -1.24 -4.46 118.95 111.30 3jw0 s ARG 627 Ca 0.59 2.20 -0.29 0.00 -0.52 0.00 0.00 55.73 57.71 3jw0 s ARG 627 Cb -0.12 -2.22 0.00 0.00 0.52 0.00 0.00 34.95 33.13 3jw0 s ARG 627 CO 0.52 -1.21 1.20 -0.51 0.02 0.00 0.00 175.30 175.32 3jw0 s LEU 628 N -3.60 4.02 -0.35 2.53 1.43 -1.26 0.84 118.68 122.29 3jw0 s LEU 628 Ca 0.72 1.34 0.04 0.00 -1.03 0.00 0.00 54.13 55.21 3jw0 s LEU 628 Cb -0.40 -3.54 0.10 0.00 0.03 0.00 0.00 46.19 42.38 3jw0 s LEU 628 CO 0.46 -0.88 0.07 0.86 0.23 0.00 0.00 176.35 177.10 3jw0 s TRP 629 N 3.77 3.57 -0.00 0.29 -0.11 -0.72 -4.76 118.94 120.98 3jw0 s TRP 629 Ca 0.51 -2.92 0.08 0.00 1.22 0.00 0.00 56.10 54.99 3jw0 s TRP 629 Cb -0.17 -2.83 -0.02 0.00 -1.50 0.00 0.00 33.47 28.95 3jw0 s TRP 629 CO 0.16 -0.93 -0.24 0.42 -4.62 0.00 0.00 176.95 171.74 3jw0 s ILE 630 N 0.87 1.87 -0.15 5.86 1.01 -1.24 -0.56 121.20 128.86 3jw0 s ILE 630 Ca 0.11 -1.08 -0.08 0.00 0.00 0.00 0.00 60.65 59.61 3jw0 s ILE 630 Cb -0.19 -1.57 0.06 0.00 0.01 0.00 0.00 42.46 40.77 3jw0 s ILE 630 CO -0.09 0.47 0.35 -0.70 0.00 0.00 0.00 174.94 174.97 3jw0 s GLU 631 N -0.72 0.32 -0.06 2.79 2.12 -0.23 -4.48 118.70 118.44 3jw0 s GLU 631 Ca 0.09 0.73 -0.03 0.00 0.36 0.00 0.00 54.97 56.12 3jw0 s GLU 631 Cb -0.09 -0.03 -0.04 0.00 0.26 0.00 0.00 34.13 34.23 3jw0 s GLU 631 CO -0.00 -0.17 0.08 -0.06 -0.54 0.00 0.00 175.26 174.57 3jw0 s PHE 632 N 1.51 3.36 -0.71 5.30 0.40 -1.26 -1.83 117.98 124.76 3jw0 s PHE 632 Ca -0.08 0.31 -0.08 0.00 -0.60 0.00 0.00 56.93 56.48 3jw0 s PHE 632 Cb -0.09 -1.82 -0.18 0.00 0.51 0.00 0.00 43.02 41.44 3jw0 s PHE 632 CO -0.11 0.59 3.24 0.39 0.70 0.00 0.00 175.22 180.03 3jw0 n GLU 633 N 1.66 2.68 0.01 0.44 1.02 -1.24 -3.31 120.64 121.90 3jw0 n GLU 633 Ca -0.16 -1.50 0.00 0.00 -0.02 0.00 0.00 57.16 55.48 3jw0 n GLU 633 Cb 0.54 -2.34 0.00 0.00 -0.02 0.00 0.00 31.44 29.61 3jw0 n GLU 633 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3jw0 n SER 634 N 3.02 -0.08 -4.35 1.62 3.41 -1.26 -4.92 113.62 111.06 3jw0 n SER 634 Ca 0.57 0.03 -0.46 0.00 -0.26 0.00 0.00 58.87 58.75 3jw0 n SER 634 Cb 0.59 0.30 -0.04 0.00 -0.26 0.00 0.00 64.21 64.80 3jw0 n SER 634 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3jw0 s GLU 635 N -1.04 3.30 -1.35 4.33 0.41 -1.21 -4.94 118.70 118.20 3jw0 s GLU 635 Ca 0.00 -1.87 -0.10 0.00 -0.41 0.00 0.00 54.97 52.59 3jw0 s GLU 635 Cb 0.00 -4.41 0.12 0.00 -1.78 0.00 0.00 34.13 28.06 3jw0 s GLU 635 CO 0.00 -1.43 2.05 1.63 -0.49 0.00 0.00 175.26 177.01 3jw0 n LYS 636 N 5.28 3.46 -3.42 1.61 4.76 -1.26 -4.22 118.16 124.37 3jw0 n LYS 636 Ca 0.02 -3.21 -0.38 0.00 -2.87 0.00 0.00 58.31 51.87 3jw0 n LYS 636 Cb 0.44 -3.01 -0.08 0.00 -1.84 0.00 0.00 35.03 30.54 3jw0 n LYS 636 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3jw0 s GLY 637 N 1.54 2.02 -1.48 0.72 0.00 -1.26 -4.97 107.32 103.89 3jw0 s GLY 637 Ca 0.43 -0.64 -0.12 0.00 0.00 0.00 0.00 44.72 44.40 3jw0 s GLY 637 CO -0.03 0.81 2.41 -0.10 0.00 0.00 0.00 173.10 176.18 3jw0 n LEU 638 N 4.65 7.45 -0.01 0.66 7.94 -1.26 -4.36 117.00 132.08 3jw0 n LEU 638 Ca -0.09 -4.30 -0.01 0.00 -1.11 0.00 0.00 56.01 50.50 3jw0 n LEU 638 Cb 0.51 -1.60 -0.00 0.00 0.53 0.00 0.00 43.42 42.86 3jw0 n LEU 638 CO 0.39 1.46 -0.08 0.47 -1.11 0.00 0.00 177.39 178.52 3jw0 n ASP 639 N 4.91 0.35 -0.07 1.96 8.00 -1.26 -4.99 116.55 125.45 3jw0 n ASP 639 Ca 0.59 0.05 -0.01 0.00 0.71 0.00 0.00 54.79 56.13 3jw0 n ASP 639 Cb 0.33 -0.33 -0.00 0.00 -0.02 0.00 0.00 41.12 41.10 3jw0 n ASP 639 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3jw0 n TYR 640 N -2.84 0.00 0.01 1.24 0.53 -1.26 -4.61 117.16 110.23 3jw0 n TYR 640 Ca -0.02 0.00 -0.01 0.00 -1.02 0.00 0.00 57.90 56.85 3jw0 n TYR 640 Cb 0.06 -1.36 -0.00 0.00 -1.03 0.00 0.00 39.34 37.01 3jw0 n TYR 640 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3jw0 n GLY 641 N -0.51 -0.04 0.26 2.72 0.00 -1.26 -4.49 105.19 101.87 3jw0 n GLY 641 Ca -0.01 -0.01 0.17 0.00 0.00 0.00 0.00 46.02 46.17 3jw0 n GLY 641 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3jw0 h GLY 642 N -0.05 0.00 1.32 -0.02 0.00 -1.95 -2.31 103.07 100.06 3jw0 h GLY 642 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 3jw0 h GLY 642 CO -0.01 0.00 0.00 3.33 0.00 0.00 0.00 176.54 179.86 3jw0 n VAL 643 N -2.97 0.36 0.01 4.60 0.24 -1.26 -1.92 118.33 117.38 3jw0 n VAL 643 Ca 0.01 0.09 -0.21 0.00 -2.04 0.00 0.00 64.34 62.19 3jw0 n VAL 643 Cb 0.30 -0.86 -0.14 0.00 -1.47 0.00 0.00 33.84 31.66 3jw0 n VAL 643 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3jw0 h ALA 644 N 2.76 0.11 -0.89 2.33 0.00 -1.74 -2.19 119.26 119.64 3jw0 h ALA 644 Ca 0.00 -0.99 0.01 0.00 0.00 0.00 0.00 54.91 53.93 3jw0 h ALA 644 Cb 0.07 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 3jw0 h ALA 644 CO 0.00 0.70 0.59 -0.09 0.00 0.00 0.00 179.25 180.45 3jw0 h ARG 645 N -0.36 1.17 0.12 0.00 9.65 -1.56 -3.14 114.38 120.25 3jw0 h ARG 645 Ca -0.26 -0.07 -0.01 0.00 -1.10 0.00 0.00 59.98 58.54 3jw0 h ARG 645 Cb 1.70 -0.26 0.00 0.00 -1.39 0.00 0.00 29.97 30.02 3jw0 h ARG 645 CO 0.07 0.78 -0.06 1.49 2.80 0.00 0.00 179.97 185.05 3jw0 h GLU 646 N 1.21 -0.15 -1.48 0.20 4.81 -1.61 -3.08 114.58 114.47 3jw0 h GLU 646 Ca 0.33 0.01 0.43 0.00 -0.13 0.00 0.00 59.36 60.00 3jw0 h GLU 646 Cb -0.14 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.20 3jw0 h GLU 646 CO -0.07 0.33 1.04 2.35 -0.73 0.00 0.00 179.01 181.94 3jw0 h TRP 647 N -0.77 0.12 0.06 0.92 7.01 -1.35 0.76 115.95 122.70 3jw0 h TRP 647 Ca -0.02 0.00 -0.09 0.00 2.11 0.00 0.00 58.89 60.90 3jw0 h TRP 647 Cb 0.55 -0.03 0.01 0.00 -2.10 0.00 0.00 29.16 27.59 3jw0 h TRP 647 CO 0.10 -0.02 -0.43 0.74 -2.79 0.00 0.00 178.44 176.04 3jw0 h PHE 648 N 0.04 0.24 0.00 2.65 0.04 -1.61 -1.50 116.94 116.80 3jw0 h PHE 648 Ca 0.73 -0.17 -0.01 0.00 2.80 0.00 0.00 57.97 61.32 3jw0 h PHE 648 Cb 2.79 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 40.93 3jw0 h PHE 648 CO -0.00 1.16 -0.05 0.35 -0.60 0.00 0.00 178.31 179.17 3jw0 h PHE 649 N -0.72 0.00 0.07 -0.55 3.57 -0.47 -0.76 116.94 118.08 3jw0 h PHE 649 Ca -0.08 0.00 -0.34 0.00 3.53 0.00 0.00 57.97 61.08 3jw0 h PHE 649 Cb 1.30 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 40.00 3jw0 h PHE 649 CO 0.23 0.05 -1.94 1.28 -2.23 0.00 0.00 178.31 175.71 3jw0 n LEU 650 N -3.48 1.88 0.12 0.59 4.32 0.23 -3.74 117.00 116.91 3jw0 n LEU 650 Ca -0.02 0.25 -0.01 0.00 -0.02 0.00 0.00 56.01 56.21 3jw0 n LEU 650 Cb 0.18 -0.55 0.05 0.00 -1.62 0.00 0.00 43.42 41.48 3jw0 n LEU 650 CO 0.27 0.67 0.39 0.25 -1.22 0.00 0.00 177.39 177.75 3jw0 h LEU 651 N 0.04 0.00 0.36 2.23 5.85 -1.06 -3.27 115.31 119.46 3jw0 h LEU 651 Ca -0.39 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.31 3jw0 h LEU 651 Cb 2.03 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.06 3jw0 h LEU 651 CO 0.07 0.69 -0.18 0.28 -0.34 0.00 0.00 178.44 178.97 3jw0 h SER 652 N 0.00 -0.41 0.00 1.25 0.02 -1.29 -1.38 113.55 111.74 3jw0 h SER 652 Ca -0.01 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 3jw0 h SER 652 Cb 1.39 0.11 0.00 0.00 0.14 0.00 0.00 62.40 64.03 3jw0 h SER 652 CO 0.09 -0.20 0.54 0.11 -1.14 0.00 0.00 176.83 176.23 3jw0 h LYS 653 N -0.61 0.00 0.00 3.45 1.79 -1.64 -0.71 116.57 118.84 3jw0 h LYS 653 Ca -0.05 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.37 3jw0 h LYS 653 Cb 0.45 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.09 3jw0 h LYS 653 CO 0.08 0.00 -0.82 0.39 -1.08 0.00 0.00 179.45 178.02 3jw0 n GLU 654 N -2.24 0.49 0.04 3.15 -0.58 -0.67 -4.06 120.64 116.78 3jw0 n GLU 654 Ca -0.01 0.43 -0.11 0.00 -0.42 0.00 0.00 57.16 57.06 3jw0 n GLU 654 Cb 0.55 -1.62 -0.05 0.00 -0.57 0.00 0.00 31.44 29.76 3jw0 n GLU 654 CO 0.00 0.00 0.00 0.52 -0.48 0.00 0.00 177.13 177.17 3jw0 h MET 655 N -1.00 -0.16 -1.40 3.49 2.86 -0.22 -2.71 114.93 115.79 3jw0 h MET 655 Ca -0.07 0.01 -0.34 0.00 -2.06 0.00 0.00 59.70 57.24 3jw0 h MET 655 Cb 0.78 0.04 -0.15 0.00 0.06 0.00 0.00 31.60 32.32 3jw0 h MET 655 CO -0.04 -0.11 0.44 1.19 1.06 0.00 0.00 176.91 179.45 3jw0 n PHE 656 N -5.24 1.67 -3.42 -0.22 3.72 -0.39 -4.42 117.46 109.16 3jw0 n PHE 656 Ca -0.05 -1.92 -0.38 0.00 -0.05 0.00 0.00 57.45 55.04 3jw0 n PHE 656 Cb 0.16 -0.94 -0.08 0.00 -0.94 0.00 0.00 39.48 37.68 3jw0 n PHE 656 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3jw0 s ASN 657 N -0.02 6.36 0.07 4.37 3.84 -1.02 -4.92 114.94 123.62 3jw0 s ASN 657 Ca 0.33 0.41 0.04 0.00 0.21 0.00 0.00 52.86 53.86 3jw0 s ASN 657 Cb 0.26 -2.21 0.23 0.00 -0.55 0.00 0.00 41.25 38.98 3jw0 s ASN 657 CO 0.00 -0.08 1.07 -2.65 -2.79 0.00 0.00 177.10 172.66 3jw0 n PRO 658 N 4.63 0.03 -0.00 0.43 -0.02 -1.26 -1.96 135.00 136.85 3jw0 n PRO 658 Ca -0.09 0.48 0.06 0.00 -2.02 0.00 0.00 63.50 61.93 3jw0 n PRO 658 Cb 0.51 -1.66 0.05 0.00 -0.02 0.00 0.00 33.50 32.38 3jw0 n PRO 658 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3jw0 n TYR 659 N -1.61 0.01 0.10 6.00 4.02 -1.26 -4.25 117.16 120.18 3jw0 n TYR 659 Ca -0.00 -0.01 -0.01 0.00 -0.01 0.00 0.00 57.90 57.86 3jw0 n TYR 659 Cb 0.08 -0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.37 3jw0 n TYR 659 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 176.86 174.93 3jw0 h TYR 660 N 2.44 0.00 0.00 -0.72 3.20 -1.69 -3.48 116.97 116.73 3jw0 h TYR 660 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3jw0 h TYR 660 Cb 0.52 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.79 3jw0 h TYR 660 CO 0.01 0.68 0.00 0.41 -1.64 0.00 0.00 178.16 177.62 3jw0 n GLY 661 N 1.28 0.34 0.13 1.82 0.00 -1.26 -4.82 105.19 102.70 3jw0 n GLY 661 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 3jw0 n GLY 661 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3jw0 h LEU 662 N 0.00 0.62 -9.08 0.99 3.38 -1.84 -3.40 115.31 105.97 3jw0 h LEU 662 Ca 0.00 -0.93 -0.46 0.00 0.09 0.00 0.00 57.88 56.58 3jw0 h LEU 662 Cb 0.00 -0.20 -0.14 0.00 0.09 0.00 0.00 40.66 40.41 3jw0 h LEU 662 CO 0.00 1.55 -0.66 -0.36 0.09 0.00 0.00 178.44 179.06 3jw0 s PHE 663 N -2.50 1.85 0.29 1.13 0.40 -1.26 -2.77 117.98 115.12 3jw0 s PHE 663 Ca -0.12 -0.79 -0.03 0.00 -0.60 0.00 0.00 56.93 55.38 3jw0 s PHE 663 Cb 0.02 -1.08 -0.01 0.00 0.51 0.00 0.00 43.02 42.46 3jw0 s PHE 663 CO 0.87 0.16 0.39 -1.83 0.70 0.00 0.00 175.22 175.52 3jw0 s GLU 664 N -3.78 1.69 0.07 0.44 -1.05 -0.57 -4.08 118.70 111.40 3jw0 s GLU 664 Ca 0.30 -1.65 -0.21 0.00 -0.15 0.00 0.00 54.97 53.26 3jw0 s GLU 664 Cb 0.05 0.41 -0.07 0.00 -0.44 0.00 0.00 34.13 34.08 3jw0 s GLU 664 CO 0.11 -0.67 0.62 0.71 0.95 0.00 0.00 175.26 176.98 3jw0 s TYR 665 N -3.51 3.79 0.38 4.83 2.02 -1.26 -1.46 117.35 122.14 3jw0 s TYR 665 Ca 0.31 1.32 0.05 0.00 -0.37 0.00 0.00 57.07 58.39 3jw0 s TYR 665 Cb 0.01 -2.58 0.75 0.00 -0.40 0.00 0.00 41.96 39.74 3jw0 s TYR 665 CO 0.17 0.51 2.01 0.66 -1.57 0.00 0.00 175.55 177.33 3jw0 h SER 666 N 4.82 0.62 -5.42 2.29 4.64 -1.54 -3.44 113.55 115.52 3jw0 h SER 666 Ca -0.48 -0.01 -0.17 0.00 -0.47 0.00 0.00 61.79 60.66 3jw0 h SER 666 Cb 1.21 -0.15 -0.14 0.00 -0.31 0.00 0.00 62.40 63.01 3jw0 h SER 666 CO 0.66 0.43 -0.51 0.00 -0.87 0.00 0.00 176.83 176.55 3jw0 s ALA 667 N -5.63 0.63 0.33 5.18 0.00 -1.26 -5.02 121.76 115.99 3jw0 s ALA 667 Ca -0.09 -1.33 0.30 0.00 0.00 0.00 0.00 51.96 50.84 3jw0 s ALA 667 Cb 0.18 1.04 1.46 0.00 0.00 0.00 0.00 23.12 25.80 3jw0 s ALA 667 CO 0.75 -0.59 2.05 1.15 0.00 0.00 0.00 175.76 179.12 3jw0 h THR 668 N 2.65 0.37 -0.60 0.00 2.02 -1.96 -3.19 112.91 112.20 3jw0 h THR 668 Ca -0.34 -0.57 -0.38 0.00 0.77 0.00 0.00 66.41 65.90 3jw0 h THR 668 Cb 1.23 1.41 -0.41 0.00 -1.74 0.00 0.00 68.15 68.64 3jw0 h THR 668 CO 0.52 0.10 -0.99 -0.90 0.37 0.00 0.00 175.52 174.62 3jw0 n ASP 669 N -3.40 3.05 0.00 4.18 5.75 -1.26 -4.76 116.55 120.11 3jw0 n ASP 669 Ca -0.01 -2.80 0.00 0.00 -0.01 0.00 0.00 54.79 51.97 3jw0 n ASP 669 Cb 0.27 -0.42 0.00 0.00 -1.03 0.00 0.00 41.12 39.94 3jw0 n ASP 669 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3jw0 n ASN 670 N -0.63 3.95 -0.56 -1.12 4.13 -1.20 -4.86 115.26 114.97 3jw0 n ASN 670 Ca 0.23 0.00 -0.06 0.00 1.68 0.00 0.00 54.58 56.43 3jw0 n ASN 670 Cb 0.87 0.43 -0.03 0.00 -1.54 0.00 0.00 39.78 39.51 3jw0 n ASN 670 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 3jw0 n TYR 671 N -1.64 -0.08 -3.61 3.10 0.53 -1.26 -4.72 117.16 109.47 3jw0 n TYR 671 Ca 0.00 0.00 -0.37 0.00 -1.02 0.00 0.00 57.90 56.51 3jw0 n TYR 671 Cb 0.36 -2.16 -0.09 0.00 -1.03 0.00 0.00 39.34 36.42 3jw0 n TYR 671 CO 0.00 0.00 0.00 0.95 -1.02 0.00 0.00 176.86 176.79 3jw0 s THR 672 N -1.40 5.33 0.77 -0.72 -4.23 -1.26 -4.59 115.64 109.54 3jw0 s THR 672 Ca 0.00 0.25 -0.11 0.00 -1.18 0.00 0.00 61.69 60.65 3jw0 s THR 672 Cb 0.00 -3.53 0.05 0.00 1.34 0.00 0.00 72.50 70.36 3jw0 s THR 672 CO 0.00 0.32 1.09 -0.76 -0.54 0.00 0.00 174.62 174.72 3jw0 s LEU 673 N 1.19 2.97 -0.07 4.79 1.43 0.33 -1.39 118.68 127.93 3jw0 s LEU 673 Ca 0.09 1.74 -0.30 0.00 -1.03 0.00 0.00 54.13 54.62 3jw0 s LEU 673 Cb -0.14 -4.44 0.09 0.00 0.03 0.00 0.00 46.19 41.73 3jw0 s LEU 673 CO 0.06 -1.97 0.78 0.00 0.23 0.00 0.00 176.35 175.46 3jw0 s GLN 674 N -4.94 0.91 0.23 1.70 -2.07 -0.53 -1.55 119.66 113.41 3jw0 s GLN 674 Ca 0.61 0.16 -0.31 0.00 -1.82 0.00 0.00 55.36 53.99 3jw0 s GLN 674 Cb -0.16 0.43 -0.12 0.00 -1.09 0.00 0.00 33.01 32.07 3jw0 s GLN 674 CO 0.56 -0.30 1.69 0.42 -1.32 0.00 0.00 175.29 176.34 3jw0 s ILE 675 N -1.38 2.04 -0.36 3.63 1.01 -1.26 -1.52 121.20 123.36 3jw0 s ILE 675 Ca -0.07 0.03 -0.29 0.00 0.00 0.00 0.00 60.65 60.32 3jw0 s ILE 675 Cb -0.00 -3.02 0.02 0.00 0.01 0.00 0.00 42.46 39.47 3jw0 s ILE 675 CO 0.05 0.00 1.11 0.21 0.00 0.00 0.00 174.94 176.32 3jw0 s ASN 676 N 0.98 6.83 0.51 3.58 3.84 -1.11 -4.83 114.94 124.73 3jw0 s ASN 676 Ca 0.71 0.90 0.20 0.00 0.21 0.00 0.00 52.86 54.88 3jw0 s ASN 676 Cb -0.49 -2.54 1.28 0.00 -0.55 0.00 0.00 41.25 38.95 3jw0 s ASN 676 CO 0.37 -1.00 2.06 1.55 -2.79 0.00 0.00 177.10 177.28 3jw0 h PRO 677 N 8.51 0.07 -1.04 0.43 0.13 -1.92 -0.94 132.00 137.24 3jw0 h PRO 677 Ca -0.22 -0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.33 3jw0 h PRO 677 Cb 1.06 -0.01 -0.28 0.00 0.13 0.00 0.00 31.00 31.90 3jw0 h PRO 677 CO 1.06 0.04 0.74 0.09 -0.23 0.00 0.00 178.00 179.70 3jw0 n ASN 678 N -4.46 5.96 0.03 1.44 5.03 -1.26 -4.45 115.26 117.56 3jw0 n ASN 678 Ca 0.04 -3.62 -0.07 0.00 0.87 0.00 0.00 54.58 51.80 3jw0 n ASN 678 Cb 0.35 -0.92 0.11 0.00 -1.02 0.00 0.00 39.78 38.30 3jw0 n ASN 678 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.26 176.20 3jw0 h SER 679 N 1.52 0.49 -0.58 6.41 4.64 -1.37 -3.14 113.55 121.52 3jw0 h SER 679 Ca 0.58 -0.24 -0.03 0.00 -0.47 0.00 0.00 61.79 61.63 3jw0 h SER 679 Cb 1.63 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 63.55 3jw0 h SER 679 CO 1.31 0.90 0.25 1.23 -0.87 0.00 0.00 176.83 179.65 3jw0 h GLY 680 N 1.17 0.96 -0.21 -0.77 0.00 -1.79 -1.86 103.07 100.56 3jw0 h GLY 680 Ca 0.02 -0.49 0.00 0.00 0.00 0.00 0.00 47.33 46.86 3jw0 h GLY 680 CO 0.09 0.46 0.00 1.04 0.00 0.00 0.00 176.54 178.13 3jw0 n LEU 681 N -4.32 0.20 0.00 3.11 4.77 -1.19 -4.00 117.00 115.58 3jw0 n LEU 681 Ca 0.05 -0.10 -0.00 0.00 -0.03 0.00 0.00 56.01 55.93 3jw0 n LEU 681 Cb 0.17 -0.10 -0.00 0.00 -2.33 0.00 0.00 43.42 41.15 3jw0 n LEU 681 CO 0.39 0.05 -0.00 0.00 -1.33 0.00 0.00 177.39 176.50 3jw0 s ASN 683 N -4.86 6.21 0.33 0.00 0.01 -1.00 -5.00 114.94 110.63 3jw0 s ASN 683 Ca -0.00 0.23 0.24 0.00 -0.71 0.00 0.00 52.86 52.62 3jw0 s ASN 683 Cb 0.00 -2.14 1.18 0.00 0.41 0.00 0.00 41.25 40.70 3jw0 s ASN 683 CO 0.00 0.04 1.74 -0.33 -1.51 0.00 0.00 177.10 177.04 3jw0 h GLU 684 N 7.38 0.00 -0.08 -0.60 5.08 -1.87 -2.74 114.58 121.75 3jw0 h GLU 684 Ca -0.38 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 57.80 3jw0 h GLU 684 Cb 1.17 0.00 -0.36 0.00 0.50 0.00 0.00 28.75 30.06 3jw0 h GLU 684 CO 0.68 0.00 -0.96 -0.40 -1.00 0.00 0.00 179.01 177.34 3jw0 n ASP 685 N -2.34 0.83 -0.57 1.42 3.85 -1.26 -4.97 116.55 113.50 3jw0 n ASP 685 Ca 0.00 -2.01 0.43 0.00 -0.71 0.00 0.00 54.79 52.50 3jw0 n ASP 685 Cb 0.13 -0.24 0.67 0.00 -1.35 0.00 0.00 41.12 40.32 3jw0 n ASP 685 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3jw0 n HIS 686 N 0.19 0.05 -0.33 2.11 1.44 -1.03 -1.58 115.22 116.07 3jw0 n HIS 686 Ca 0.02 0.05 -0.00 0.00 -2.01 0.00 0.00 57.72 55.78 3jw0 n HIS 686 Cb 1.03 -0.46 0.13 0.00 0.12 0.00 0.00 29.99 30.81 3jw0 n HIS 686 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 3jw0 h LEU 687 N 0.00 0.95 -1.27 2.39 3.38 -1.93 -0.23 115.31 118.61 3jw0 h LEU 687 Ca 0.77 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.72 3jw0 h LEU 687 Cb 3.05 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 43.57 3jw0 h LEU 687 CO -0.04 0.64 0.25 -1.28 0.09 0.00 0.00 178.44 178.09 3jw0 h SER 688 N 1.11 0.68 -0.05 -0.43 0.87 -1.74 -2.33 113.55 111.66 3jw0 h SER 688 Ca 0.37 -0.07 -0.15 0.00 -1.23 0.00 0.00 61.79 60.72 3jw0 h SER 688 Cb 0.07 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.85 3jw0 h SER 688 CO -0.14 0.58 -0.48 1.88 -0.53 0.00 0.00 176.83 178.14 3jw0 h TYR 689 N 0.75 0.74 0.12 2.24 -1.99 -1.24 -2.34 116.97 115.26 3jw0 h TYR 689 Ca 0.19 -0.24 -0.01 0.00 2.00 0.00 0.00 58.73 60.67 3jw0 h TYR 689 Cb 0.09 -0.15 0.00 0.00 2.00 0.00 0.00 36.73 38.68 3jw0 h TYR 689 CO 0.01 0.97 -0.06 0.74 -0.00 0.00 0.00 178.16 179.82 3jw0 h PHE 690 N 0.48 -0.15 -0.99 4.88 0.04 -0.68 0.13 116.94 120.65 3jw0 h PHE 690 Ca 0.02 -0.00 0.14 0.00 2.80 0.00 0.00 57.97 60.93 3jw0 h PHE 690 Cb 1.02 0.05 -0.09 0.00 2.20 0.00 0.00 35.95 39.13 3jw0 h PHE 690 CO 0.04 0.05 0.62 1.79 -0.60 0.00 0.00 178.31 180.22 3jw0 h THR 691 N -0.34 0.86 0.37 -1.55 1.35 -1.47 0.38 112.91 112.50 3jw0 h THR 691 Ca -0.02 -0.31 -0.01 0.00 -0.55 0.00 0.00 66.41 65.53 3jw0 h THR 691 Cb 0.28 -0.12 -0.01 0.00 -1.73 0.00 0.00 68.15 66.56 3jw0 h THR 691 CO 0.03 0.16 -0.29 0.15 -0.25 0.00 0.00 175.52 175.32 3jw0 h PHE 692 N 0.90 -0.78 -0.22 4.73 3.57 -0.82 1.34 116.94 125.67 3jw0 h PHE 692 Ca 0.51 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 62.07 3jw0 h PHE 692 Cb 0.63 0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.65 3jw0 h PHE 692 CO -0.00 -0.43 0.25 0.82 -2.23 0.00 0.00 178.31 176.71 3jw0 h ILE 693 N -0.66 0.44 0.05 1.41 2.04 0.15 0.54 117.51 121.48 3jw0 h ILE 693 Ca -0.03 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 65.70 3jw0 h ILE 693 Cb 0.58 0.80 0.01 0.00 -0.74 0.00 0.00 36.82 37.47 3jw0 h ILE 693 CO -0.01 0.00 -0.56 1.23 0.00 0.00 0.00 178.15 178.81 3jw0 h GLY 694 N 0.00 0.32 0.01 5.37 0.00 0.20 0.93 103.07 109.89 3jw0 h GLY 694 Ca 0.10 -0.66 0.02 0.00 0.00 0.00 0.00 47.33 46.80 3jw0 h GLY 694 CO -0.00 0.58 -0.52 -0.09 0.00 0.00 0.00 176.54 176.51 3jw0 h ARG 695 N -0.37 -0.62 0.35 4.80 9.65 0.37 -1.35 114.38 127.20 3jw0 h ARG 695 Ca -0.08 0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 58.82 3jw0 h ARG 695 Cb 1.35 0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 30.06 3jw0 h ARG 695 CO 0.11 -0.42 -0.28 0.28 2.80 0.00 0.00 179.97 182.47 3jw0 h VAL 696 N -0.65 0.00 -0.50 0.20 2.07 -1.13 -0.78 116.25 115.46 3jw0 h VAL 696 Ca 0.02 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.59 3jw0 h VAL 696 Cb 0.71 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.42 3jw0 h VAL 696 CO -0.36 0.00 -0.29 0.00 0.02 0.00 0.00 177.57 176.93 3jw0 n ALA 697 N -2.51 -0.32 -0.07 1.67 0.00 0.32 0.22 120.51 119.82 3jw0 n ALA 697 Ca -0.07 0.42 -0.11 0.00 0.00 0.00 0.00 53.44 53.68 3jw0 n ALA 697 Cb 0.26 -0.03 -0.05 0.00 0.00 0.00 0.00 19.45 19.64 3jw0 n ALA 697 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3jw0 h GLY 698 N 0.00 0.36 -0.69 0.00 0.00 -1.26 -2.85 103.07 98.64 3jw0 h GLY 698 Ca 0.08 -0.23 0.36 0.00 0.00 0.00 0.00 47.33 47.54 3jw0 h GLY 698 CO -0.47 0.22 0.63 -2.00 0.00 0.00 0.00 176.54 174.91 3jw0 h LEU 699 N 0.15 0.43 -0.74 3.11 5.85 0.13 0.89 115.31 125.13 3jw0 h LEU 699 Ca 0.07 0.19 -0.12 0.00 0.84 0.00 0.00 57.88 58.85 3jw0 h LEU 699 Cb 0.28 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 3jw0 h LEU 699 CO 0.00 -0.18 -0.34 0.00 -0.34 0.00 0.00 178.44 177.58 3jw0 h ALA 700 N 1.81 0.92 -0.37 1.25 0.00 -0.65 -2.38 119.26 119.84 3jw0 h ALA 700 Ca 0.76 -0.41 -0.11 0.00 0.00 0.00 0.00 54.91 55.15 3jw0 h ALA 700 Cb 1.94 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.60 3jw0 h ALA 700 CO -0.58 0.62 -0.21 0.28 0.00 0.00 0.00 179.25 179.36 3jw0 h VAL 701 N 0.48 1.28 -0.47 0.00 2.07 0.77 0.37 116.25 120.75 3jw0 h VAL 701 Ca 0.05 -1.35 0.04 0.00 0.82 0.00 0.00 66.70 66.26 3jw0 h VAL 701 Cb 0.82 1.35 -0.04 0.00 -1.52 0.00 0.00 31.29 31.90 3jw0 h VAL 701 CO 0.07 0.45 0.24 0.15 0.02 0.00 0.00 177.57 178.49 3jw0 h PHE 702 N 0.59 0.44 -0.40 1.57 -0.00 -0.98 -2.26 116.94 115.91 3jw0 h PHE 702 Ca 0.08 0.02 -0.08 0.00 -0.00 0.00 0.00 57.97 57.99 3jw0 h PHE 702 Cb 0.77 -0.13 -0.05 0.00 -0.00 0.00 0.00 35.95 36.54 3jw0 h PHE 702 CO 0.06 0.22 0.10 0.72 -0.00 0.00 0.00 178.31 179.41 3jw0 n HIS 703 N -4.89 1.36 -4.03 0.41 8.25 -0.90 -4.93 115.22 110.48 3jw0 n HIS 703 Ca 0.04 -0.64 -0.31 0.00 -0.26 0.00 0.00 57.72 56.54 3jw0 n HIS 703 Cb 0.12 -0.42 -0.00 0.00 1.12 0.00 0.00 29.99 30.80 3jw0 n HIS 703 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3jw0 n GLY 704 N 0.15 -0.41 3.84 -1.41 0.00 -0.81 -4.98 105.19 101.58 3jw0 n GLY 704 Ca 0.21 0.16 -0.30 0.00 0.00 0.00 0.00 46.02 46.08 3jw0 n GLY 704 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jw0 s LYS 705 N -6.69 2.23 0.04 1.61 -0.14 0.12 -5.02 119.74 111.89 3jw0 s LYS 705 Ca 0.52 -2.24 0.05 0.00 -1.36 0.00 0.00 55.97 52.94 3jw0 s LYS 705 Cb -0.27 -1.80 -0.02 0.00 -1.68 0.00 0.00 37.83 34.05 3jw0 s LYS 705 CO 0.88 -0.52 -0.15 -0.51 -0.76 0.00 0.00 175.35 174.29 3jw0 s LEU 706 N -4.09 2.17 0.37 3.17 1.43 -1.26 -4.41 118.68 116.06 3jw0 s LEU 706 Ca 0.18 -0.47 -0.06 0.00 -1.03 0.00 0.00 54.13 52.75 3jw0 s LEU 706 Cb -0.01 -0.66 -0.05 0.00 0.03 0.00 0.00 46.19 45.51 3jw0 s LEU 706 CO 0.11 0.05 0.66 -0.76 0.23 0.00 0.00 176.35 176.64 3jw0 s LEU 707 N -1.15 3.90 -0.19 1.79 1.43 0.08 -4.56 118.68 119.98 3jw0 s LEU 707 Ca 0.02 0.83 -0.09 0.00 -1.03 0.00 0.00 54.13 53.87 3jw0 s LEU 707 Cb -0.08 -3.70 -0.05 0.00 0.03 0.00 0.00 46.19 42.39 3jw0 s LEU 707 CO 0.01 -0.34 0.10 -0.62 0.23 0.00 0.00 176.35 175.73 3jw0 s ASP 708 N -3.48 5.96 0.00 2.29 -1.08 -1.26 -4.55 116.67 114.55 3jw0 s ASP 708 Ca 0.46 0.16 0.00 0.00 -0.52 0.00 0.00 52.55 52.65 3jw0 s ASP 708 Cb -0.10 -2.04 0.00 0.00 -1.46 0.00 0.00 42.92 39.32 3jw0 s ASP 708 CO 0.34 0.17 0.00 0.61 0.52 0.00 0.00 175.17 176.82 3jw0 n GLY 709 N 3.55 2.33 3.22 2.66 0.00 -1.26 -4.74 105.19 110.94 3jw0 n GLY 709 Ca -0.16 -1.97 -0.13 0.00 0.00 0.00 0.00 46.02 43.76 3jw0 n GLY 709 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3jw0 s PHE 710 N -2.67 1.12 0.37 1.61 0.08 -1.26 -4.86 117.98 112.36 3jw0 s PHE 710 Ca 0.00 -0.94 0.08 0.00 0.12 0.00 0.00 56.93 56.19 3jw0 s PHE 710 Cb 0.00 -0.63 -0.06 0.00 -0.57 0.00 0.00 43.02 41.77 3jw0 s PHE 710 CO 0.00 -0.14 0.06 -0.06 -0.10 0.00 0.00 175.22 174.97 3jw0 s PHE 711 N -3.59 2.56 0.46 0.36 0.08 -1.26 0.12 117.98 116.72 3jw0 s PHE 711 Ca 0.19 -0.51 -0.23 0.00 0.12 0.00 0.00 56.93 56.50 3jw0 s PHE 711 Cb 0.05 -1.65 -0.07 0.00 -0.57 0.00 0.00 43.02 40.78 3jw0 s PHE 711 CO 0.01 0.40 1.16 0.96 -0.10 0.00 0.00 175.22 177.64 3jw0 s ILE 712 N -2.56 3.14 0.27 0.64 -4.36 -0.59 -4.76 121.20 112.96 3jw0 s ILE 712 Ca 0.36 0.84 -0.09 0.00 -0.26 0.00 0.00 60.65 61.50 3jw0 s ILE 712 Cb 0.02 -3.42 0.41 0.00 1.25 0.00 0.00 42.46 40.72 3jw0 s ILE 712 CO 0.20 -0.02 1.57 -0.09 0.24 0.00 0.00 174.94 176.84 3jw0 h ARG 713 N 2.01 -0.00 -1.01 0.37 2.43 -1.93 -0.30 114.38 115.94 3jw0 h ARG 713 Ca -0.49 0.00 0.38 0.00 -0.81 0.00 0.00 59.98 59.05 3jw0 h ARG 713 Cb 1.25 0.00 -0.16 0.00 -0.42 0.00 0.00 29.97 30.63 3jw0 h ARG 713 CO 0.60 -0.00 0.56 -1.35 -1.51 0.00 0.00 179.97 178.27 3jw0 h PRO 714 N -0.00 0.14 0.38 0.20 0.11 -1.91 -0.21 132.00 130.72 3jw0 h PRO 714 Ca 0.44 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.54 3jw0 h PRO 714 Cb 0.68 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.73 3jw0 h PRO 714 CO -0.97 0.10 -0.41 0.35 -0.21 0.00 0.00 178.00 176.86 3jw0 h PHE 715 N 0.15 -1.13 -0.34 0.65 3.57 -1.40 0.20 116.94 118.63 3jw0 h PHE 715 Ca 0.80 0.01 0.04 0.00 3.53 0.00 0.00 57.97 62.35 3jw0 h PHE 715 Cb 2.00 0.44 -0.04 0.00 2.79 0.00 0.00 35.95 41.15 3jw0 h PHE 715 CO -0.01 -0.56 0.10 1.88 -2.23 0.00 0.00 178.31 177.49 3jw0 h TYR 716 N -0.82 0.18 -0.35 0.41 0.05 -1.21 -0.94 116.97 114.29 3jw0 h TYR 716 Ca -0.03 0.02 0.10 0.00 0.05 0.00 0.00 58.73 58.86 3jw0 h TYR 716 Cb 0.74 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 38.43 3jw0 h TYR 716 CO -0.24 0.07 0.25 0.87 -1.05 0.00 0.00 178.16 178.06 3jw0 h LYS 717 N 0.24 0.03 -0.26 4.88 1.57 -0.72 -0.35 116.57 121.96 3jw0 h LYS 717 Ca 0.16 -0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.79 3jw0 h LYS 717 Cb 0.15 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 3jw0 h LYS 717 CO -0.18 0.02 -0.45 1.98 -0.57 0.00 0.00 179.45 180.26 3jw0 h MET 718 N 0.03 0.65 0.14 3.15 4.05 0.79 0.74 114.93 124.47 3jw0 h MET 718 Ca 0.17 -0.36 -0.01 0.00 -0.28 0.00 0.00 59.70 59.22 3jw0 h MET 718 Cb 0.62 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.44 3jw0 h MET 718 CO -0.01 0.97 -0.07 0.52 0.23 0.00 0.00 176.91 178.56 3jw0 h MET 719 N 0.53 -0.18 0.00 0.39 2.86 -0.79 -2.65 114.93 115.09 3jw0 h MET 719 Ca 0.03 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 3jw0 h MET 719 Cb 0.98 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.68 3jw0 h MET 719 CO 0.09 0.10 0.08 -0.07 1.06 0.00 0.00 176.91 178.17 3jw0 h LEU 720 N -0.44 0.00 0.00 1.22 3.38 -1.31 -3.45 115.31 114.71 3jw0 h LEU 720 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3jw0 h LEU 720 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3jw0 h LEU 720 CO 0.03 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.17 3jw0 n GLY 721 N -1.27 0.42 3.93 0.83 0.00 -0.98 -4.90 105.19 103.23 3jw0 n GLY 721 Ca -0.01 -0.88 -0.25 0.00 0.00 0.00 0.00 46.02 44.87 3jw0 n GLY 721 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jw0 s LYS 722 N -3.67 3.44 0.13 1.61 -0.14 0.22 -5.03 119.74 116.29 3jw0 s LYS 722 Ca 0.00 -0.17 -0.13 0.00 -1.36 0.00 0.00 55.97 54.31 3jw0 s LYS 722 Cb 0.00 -2.55 -0.07 0.00 -1.68 0.00 0.00 37.83 33.54 3jw0 s LYS 722 CO 0.00 -0.04 0.52 -1.14 -0.76 0.00 0.00 175.35 173.93 3jw0 s GLN 723 N -4.50 3.93 0.14 1.68 0.74 -1.26 -4.54 119.66 115.85 3jw0 s GLN 723 Ca 0.44 0.42 -0.10 0.00 0.05 0.00 0.00 55.36 56.17 3jw0 s GLN 723 Cb -0.10 -2.94 -0.06 0.00 1.10 0.00 0.00 33.01 31.01 3jw0 s GLN 723 CO 0.39 0.49 0.47 0.42 -0.55 0.00 0.00 175.29 176.52 3jw0 s ILE 724 N -1.45 5.00 0.35 -2.34 -1.09 -1.26 -5.04 121.20 115.36 3jw0 s ILE 724 Ca 0.37 0.51 -0.05 0.00 -2.23 0.00 0.00 60.65 59.25 3jw0 s ILE 724 Cb -0.15 -3.66 0.01 0.00 -1.58 0.00 0.00 42.46 37.08 3jw0 s ILE 724 CO 0.19 0.16 0.53 0.42 -1.23 0.00 0.00 174.94 175.01 3jw0 s THR 725 N -1.55 0.00 0.34 2.92 -4.23 -1.26 -5.04 115.64 106.82 3jw0 s THR 725 Ca 0.39 -1.48 0.08 0.00 -1.18 0.00 0.00 61.69 59.50 3jw0 s THR 725 Cb -0.13 -2.66 0.32 0.00 1.34 0.00 0.00 72.50 71.37 3jw0 s THR 725 CO 0.20 0.00 1.83 0.25 -0.54 0.00 0.00 174.62 176.36 3jw0 h LEU 726 N 2.10 0.70 -1.63 4.79 5.85 -1.98 -0.80 115.31 124.34 3jw0 h LEU 726 Ca -0.29 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.48 3jw0 h LEU 726 Cb 1.24 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 3jw0 h LEU 726 CO 0.39 0.31 0.15 0.78 -0.34 0.00 0.00 178.44 179.73 3jw0 h ASN 727 N 0.72 0.35 0.57 1.25 -0.26 -2.00 -2.74 115.58 113.47 3jw0 h ASN 727 Ca 0.50 -0.02 0.00 0.00 -0.56 0.00 0.00 56.30 56.22 3jw0 h ASN 727 Cb 0.82 -0.09 0.00 0.00 -1.06 0.00 0.00 38.32 37.99 3jw0 h ASN 727 CO -0.27 0.29 0.00 0.47 -1.06 0.00 0.00 177.43 176.87 3jw0 n ASP 728 N -4.45 0.62 -3.60 5.81 8.00 -0.31 -3.60 116.55 119.02 3jw0 n ASP 728 Ca 0.01 0.68 -0.38 0.00 0.71 0.00 0.00 54.79 55.81 3jw0 n ASP 728 Cb 0.10 -0.80 -0.00 0.00 -0.02 0.00 0.00 41.12 40.41 3jw0 n ASP 728 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 3jw0 n MET 729 N -2.21 4.60 0.00 -1.24 1.56 -1.03 -4.10 117.12 114.70 3jw0 n MET 729 Ca 0.01 -4.68 0.00 0.00 -0.27 0.00 0.00 57.70 52.77 3jw0 n MET 729 Cb 0.19 -2.42 0.00 0.00 2.15 0.00 0.00 33.22 33.13 3jw0 n MET 729 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 175.97 173.33 3jw0 n GLU 730 N 0.33 4.10 0.04 2.12 2.13 -1.24 -3.86 120.64 124.27 3jw0 n GLU 730 Ca 0.38 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.20 3jw0 n GLU 730 Cb 0.31 -0.62 -0.07 0.00 0.27 0.00 0.00 31.44 31.33 3jw0 n GLU 730 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 3jw0 h SER 731 N 0.00 0.00 0.07 4.31 4.64 -1.84 -3.30 113.55 117.44 3jw0 h SER 731 Ca 0.00 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.05 3jw0 h SER 731 Cb 0.03 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.10 3jw0 h SER 731 CO 0.00 0.56 -1.46 0.58 -0.87 0.00 0.00 176.83 175.63 3jw0 h VAL 732 N 0.00 0.91 -1.44 0.95 2.07 -1.83 -3.46 116.25 113.45 3jw0 h VAL 732 Ca -0.14 -2.31 -0.18 0.00 0.82 0.00 0.00 66.70 64.89 3jw0 h VAL 732 Cb 1.55 2.51 -0.25 0.00 -1.52 0.00 0.00 31.29 33.58 3jw0 h VAL 732 CO 0.05 0.62 -0.54 -0.62 0.02 0.00 0.00 177.57 177.09 3jw0 s ASP 733 N -6.95 -0.31 0.12 0.57 -1.08 -1.26 -4.91 116.67 102.85 3jw0 s ASP 733 Ca -0.24 -0.92 -0.30 0.00 -0.52 0.00 0.00 52.55 50.57 3jw0 s ASP 733 Cb 0.05 1.35 -0.09 0.00 -1.46 0.00 0.00 42.92 42.77 3jw0 s ASP 733 CO 0.70 -0.24 1.59 0.28 0.52 0.00 0.00 175.17 178.02 3jw0 h SER 734 N 7.28 -1.20 -0.11 -0.34 0.02 -1.81 0.34 113.55 117.74 3jw0 h SER 734 Ca 0.02 0.14 0.03 0.00 -0.84 0.00 0.00 61.79 61.14 3jw0 h SER 734 Cb 1.13 0.46 -0.00 0.00 0.14 0.00 0.00 62.40 64.12 3jw0 h SER 734 CO 0.16 -0.47 0.13 -0.33 -1.14 0.00 0.00 176.83 175.18 3jw0 h GLU 735 N -0.62 0.00 0.11 3.45 5.08 -1.93 0.62 114.58 121.29 3jw0 h GLU 735 Ca 0.03 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.20 3jw0 h GLU 735 Cb 0.66 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.92 3jw0 h GLU 735 CO -0.26 0.00 -0.91 -0.92 -1.00 0.00 0.00 179.01 175.93 3jw0 h TYR 736 N 0.00 0.40 -0.06 4.33 5.03 -1.76 -2.97 116.97 121.95 3jw0 h TYR 736 Ca 0.05 -0.30 0.02 0.00 2.58 0.00 0.00 58.73 61.09 3jw0 h TYR 736 Cb 0.31 -0.02 -0.05 0.00 1.55 0.00 0.00 36.73 38.52 3jw0 h TYR 736 CO 0.00 1.35 -0.45 -0.92 -1.32 0.00 0.00 178.16 176.82 3jw0 h TYR 737 N -0.48 -1.33 -0.57 -3.82 3.20 0.95 -0.54 116.97 114.39 3jw0 h TYR 737 Ca -0.18 0.05 0.12 0.00 3.14 0.00 0.00 58.73 61.85 3jw0 h TYR 737 Cb 1.57 0.59 -0.10 0.00 1.54 0.00 0.00 36.73 40.33 3jw0 h TYR 737 CO 0.18 -0.46 -0.02 -0.91 -1.64 0.00 0.00 178.16 175.31 3jw0 h ASN 738 N -0.52 -0.28 -0.56 -2.11 2.35 -1.10 0.15 115.58 113.51 3jw0 h ASN 738 Ca 0.02 0.14 0.01 0.00 -0.55 0.00 0.00 56.30 55.92 3jw0 h ASN 738 Cb 0.58 0.26 -0.03 0.00 0.05 0.00 0.00 38.32 39.18 3jw0 h ASN 738 CO -0.33 -0.11 0.37 0.28 -1.65 0.00 0.00 177.43 175.99 3jw0 h SER 739 N 0.10 0.62 -0.20 5.81 0.02 -1.23 0.75 113.55 119.42 3jw0 h SER 739 Ca 0.29 -0.01 -0.18 0.00 -0.84 0.00 0.00 61.79 61.04 3jw0 h SER 739 Cb 0.46 -0.15 0.01 0.00 0.14 0.00 0.00 62.40 62.85 3jw0 h SER 739 CO -0.49 0.44 -0.60 -0.07 -1.14 0.00 0.00 176.83 174.97 3jw0 h LEU 740 N 0.73 0.87 -2.02 5.07 3.38 0.54 -2.67 115.31 121.20 3jw0 h LEU 740 Ca 0.21 -0.59 -0.02 0.00 0.09 0.00 0.00 57.88 57.57 3jw0 h LEU 740 Cb -0.04 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.45 3jw0 h LEU 740 CO -0.05 1.30 -0.10 0.50 0.09 0.00 0.00 178.44 180.19 3jw0 h LYS 741 N 0.48 0.00 -0.00 1.13 3.64 0.08 -1.09 116.57 120.80 3jw0 h LYS 741 Ca -0.02 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3jw0 h LYS 741 Cb 1.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 3jw0 h LYS 741 CO 0.13 0.10 -0.01 2.35 -2.27 0.00 0.00 179.45 179.74 3jw0 h TRP 742 N 0.00 0.02 -1.01 1.91 7.01 -0.74 -2.38 115.95 120.77 3jw0 h TRP 742 Ca -0.00 -0.01 0.24 0.00 2.11 0.00 0.00 58.89 61.23 3jw0 h TRP 742 Cb 0.24 -0.00 -0.09 0.00 -2.10 0.00 0.00 29.16 27.21 3jw0 h TRP 742 CO 0.00 0.68 0.64 0.82 -2.79 0.00 0.00 178.44 177.79 3jw0 h ILE 743 N -0.64 0.58 -0.13 2.65 1.08 -0.99 -0.05 117.51 120.02 3jw0 h ILE 743 Ca -0.00 -0.16 -0.13 0.00 -0.39 0.00 0.00 64.86 64.18 3jw0 h ILE 743 Cb 0.68 0.07 -0.01 0.00 -3.07 0.00 0.00 36.82 34.49 3jw0 h ILE 743 CO 0.00 0.09 -0.49 0.25 -0.69 0.00 0.00 178.15 177.31 3jw0 h LEU 744 N 0.47 0.36 -3.09 1.44 5.85 -1.04 -3.30 115.31 116.01 3jw0 h LEU 744 Ca 0.57 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 59.11 3jw0 h LEU 744 Cb 1.33 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.25 3jw0 h LEU 744 CO -0.30 0.80 0.00 -0.62 -0.34 0.00 0.00 178.44 177.98 3jw0 n GLU 745 N -3.96 3.07 -3.74 1.25 1.02 -0.13 -5.01 120.64 113.12 3jw0 n GLU 745 Ca -0.02 -2.53 -0.15 0.00 -0.02 0.00 0.00 57.16 54.44 3jw0 n GLU 745 Cb 0.55 -1.62 -0.05 0.00 -0.02 0.00 0.00 31.44 30.29 3jw0 n GLU 745 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3jw0 n ASN 746 N 0.19 -0.69 -4.66 1.62 3.02 -0.59 -5.05 115.26 109.10 3jw0 n ASN 746 Ca 0.18 -2.72 -0.38 0.00 -0.03 0.00 0.00 54.58 51.63 3jw0 n ASN 746 Cb 0.70 1.51 -0.08 0.00 -0.61 0.00 0.00 39.78 41.30 3jw0 n ASN 746 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3jw0 s ASP 747 N -2.86 6.33 0.00 6.41 -1.08 -1.26 -4.86 116.67 119.36 3jw0 s ASP 747 Ca 0.30 0.38 0.21 0.00 -0.52 0.00 0.00 52.55 52.92 3jw0 s ASP 747 Cb 0.01 -2.20 0.53 0.00 -1.46 0.00 0.00 42.92 39.80 3jw0 s ASP 747 CO 0.22 -0.06 1.45 -0.81 0.52 0.00 0.00 175.17 176.48 3jw0 n PRO 748 N 4.56 2.36 0.05 4.34 -0.04 -1.26 -4.54 135.00 140.48 3jw0 n PRO 748 Ca -0.10 -2.08 0.10 0.00 -0.04 0.00 0.00 63.50 61.38 3jw0 n PRO 748 Cb 0.51 -1.48 0.55 0.00 -0.04 0.00 0.00 33.50 33.04 3jw0 n PRO 748 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 3jw0 h THR 749 N 3.70 0.96 0.00 0.52 1.35 -1.84 -2.63 112.91 114.97 3jw0 h THR 749 Ca 0.00 -0.09 -0.11 0.00 -0.55 0.00 0.00 66.41 65.65 3jw0 h THR 749 Cb 0.83 0.67 -0.02 0.00 -1.73 0.00 0.00 68.15 67.90 3jw0 h THR 749 CO 0.00 0.05 -0.55 1.05 -0.25 0.00 0.00 175.52 175.82 3jw0 h GLU 750 N 0.27 0.00 0.00 4.72 4.11 -1.92 -3.16 114.58 118.60 3jw0 h GLU 750 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.58 3jw0 h GLU 750 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 3jw0 h GLU 750 CO -0.03 0.55 0.00 1.28 0.07 0.00 0.00 179.01 180.88 3jw0 n LEU 751 N -3.42 0.00 -4.01 3.06 4.77 -0.99 -4.92 117.00 111.49 3jw0 n LEU 751 Ca 0.01 0.16 -0.35 0.00 -0.03 0.00 0.00 56.01 55.79 3jw0 n LEU 751 Cb 0.67 -0.16 -0.01 0.00 -2.33 0.00 0.00 43.42 41.59 3jw0 n LEU 751 CO 0.40 -0.06 -0.19 -0.67 -1.33 0.00 0.00 177.39 175.54 3jw0 n ASP 752 N -1.16 -2.36 -4.90 -1.43 2.03 -1.20 -4.95 116.55 102.58 3jw0 n ASP 752 Ca 0.12 -1.05 -0.28 0.00 0.52 0.00 0.00 54.79 54.09 3jw0 n ASP 752 Cb 0.12 -1.27 0.02 0.00 -0.72 0.00 0.00 41.12 39.27 3jw0 n ASP 752 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3jw0 s LEU 753 N -6.92 3.26 0.12 -2.67 1.43 -1.26 -5.00 118.68 107.64 3jw0 s LEU 753 Ca 0.31 0.91 0.03 0.00 -1.03 0.00 0.00 54.13 54.36 3jw0 s LEU 753 Cb -0.17 -3.79 -0.04 0.00 0.03 0.00 0.00 46.19 42.22 3jw0 s LEU 753 CO 0.79 -0.99 -0.09 -0.04 0.23 0.00 0.00 176.35 176.25 3jw0 s MET 754 N -5.03 0.96 -1.24 1.70 -1.94 -1.26 -2.69 119.30 109.79 3jw0 s MET 754 Ca 0.53 -1.38 -0.10 0.00 -1.71 0.00 0.00 55.69 53.04 3jw0 s MET 754 Cb -0.11 -0.46 -0.07 0.00 2.01 0.00 0.00 34.83 36.20 3jw0 s MET 754 CO 0.47 0.04 2.43 1.19 -0.01 0.00 0.00 175.02 179.15 3jw0 n PHE 755 N -0.06 2.10 -3.86 -0.03 3.72 -0.68 -4.79 117.46 113.86 3jw0 n PHE 755 Ca -0.12 -2.51 -0.08 0.00 -0.05 0.00 0.00 57.45 54.69 3jw0 n PHE 755 Cb 0.60 -2.10 -0.01 0.00 -0.94 0.00 0.00 39.48 37.03 3jw0 n PHE 755 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3jw0 n ILE 757 N -0.49 0.00 -4.55 0.00 5.41 0.13 -4.87 119.36 114.99 3jw0 n ILE 757 Ca -0.05 -1.19 -0.24 0.00 1.00 0.00 0.00 62.75 62.27 3jw0 n ILE 757 Cb 0.60 0.43 -0.16 0.00 -0.71 0.00 0.00 39.64 39.80 3jw0 n ILE 757 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 3jw0 s ASP 758 N -2.25 1.66 0.28 4.38 1.01 -1.26 -1.73 116.67 118.75 3jw0 s ASP 758 Ca 0.11 -0.27 0.12 0.00 0.71 0.00 0.00 52.55 53.21 3jw0 s ASP 758 Cb 0.01 -0.67 -0.05 0.00 1.01 0.00 0.00 42.92 43.22 3jw0 s ASP 758 CO 0.08 0.05 -0.19 -1.61 0.21 0.00 0.00 175.17 173.70 3jw0 s GLU 759 N 0.50 1.70 0.02 8.23 0.41 0.09 -4.96 118.70 124.69 3jw0 s GLU 759 Ca -0.11 -1.77 0.03 0.00 -0.41 0.00 0.00 54.97 52.71 3jw0 s GLU 759 Cb -0.14 -1.78 -0.01 0.00 -1.78 0.00 0.00 34.13 30.42 3jw0 s GLU 759 CO 0.03 0.33 -0.09 -1.21 -0.49 0.00 0.00 175.26 173.83 3jw0 s GLU 760 N -3.52 0.61 -0.29 1.61 2.02 -1.26 -0.10 118.70 117.77 3jw0 s GLU 760 Ca 0.30 -0.52 -0.16 0.00 0.02 0.00 0.00 54.97 54.61 3jw0 s GLU 760 Cb -0.05 -0.53 0.15 0.00 0.10 0.00 0.00 34.13 33.80 3jw0 s GLU 760 CO 0.15 0.13 0.99 0.54 0.02 0.00 0.00 175.26 177.09 3jw0 s ASN 761 N -0.84 -0.49 -1.35 -0.19 6.03 -0.86 -4.95 114.94 112.28 3jw0 s ASN 761 Ca -0.02 0.77 -0.07 0.00 -1.03 0.00 0.00 52.86 52.50 3jw0 s ASN 761 Cb -0.06 1.26 0.02 0.00 -3.03 0.00 0.00 41.25 39.43 3jw0 s ASN 761 CO 0.00 -0.12 1.10 0.49 -2.03 0.00 0.00 177.10 176.54 3jw0 n PHE 762 N 3.83 -2.62 -0.76 1.54 3.72 -1.26 -1.70 117.46 120.22 3jw0 n PHE 762 Ca -0.17 0.98 0.00 0.00 -0.05 0.00 0.00 57.45 58.21 3jw0 n PHE 762 Cb 0.57 -4.88 0.00 0.00 -0.94 0.00 0.00 39.48 34.23 3jw0 n PHE 762 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3jw0 n GLY 763 N -1.77 0.23 3.55 1.37 0.00 -1.26 -4.95 105.19 102.36 3jw0 n GLY 763 Ca -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 3jw0 n GLY 763 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3jw0 s GLN 764 N -0.96 3.82 -0.40 1.61 -0.21 -0.69 -5.07 119.66 117.76 3jw0 s GLN 764 Ca 0.00 -0.42 -0.20 0.00 0.02 0.00 0.00 55.36 54.76 3jw0 s GLN 764 Cb 0.00 -3.18 0.01 0.00 1.00 0.00 0.00 33.01 30.84 3jw0 s GLN 764 CO 0.00 0.13 0.61 -0.08 -2.12 0.00 0.00 175.29 173.83 3jw0 s THR 765 N 0.74 4.88 -0.12 -0.19 -1.32 -1.26 -2.03 115.64 116.35 3jw0 s THR 765 Ca 0.02 0.26 0.03 0.00 -1.21 0.00 0.00 61.69 60.79 3jw0 s THR 765 Cb -0.14 -4.13 -0.00 0.00 -1.51 0.00 0.00 72.50 66.73 3jw0 s THR 765 CO 0.02 -0.45 -0.21 -0.72 -2.21 0.00 0.00 174.62 171.05 3jw0 s TYR 766 N 2.70 2.64 -0.13 9.09 1.13 0.85 -4.92 117.35 128.71 3jw0 s TYR 766 Ca 0.22 -1.01 -0.29 0.00 -1.41 0.00 0.00 57.07 54.59 3jw0 s TYR 766 Cb -0.15 -1.76 -0.01 0.00 -1.10 0.00 0.00 41.96 38.94 3jw0 s TYR 766 CO 0.17 -0.41 0.99 -1.14 -2.51 0.00 0.00 175.55 172.65 3jw0 s GLN 767 N 0.44 4.38 -0.07 -3.49 0.74 -1.26 -0.73 119.66 119.67 3jw0 s GLN 767 Ca -0.15 1.34 0.04 0.00 0.05 0.00 0.00 55.36 56.64 3jw0 s GLN 767 Cb -0.17 -3.56 -0.02 0.00 1.10 0.00 0.00 33.01 30.36 3jw0 s GLN 767 CO 0.06 -0.36 -0.20 0.14 -0.55 0.00 0.00 175.29 174.38 3jw0 s VAL 768 N 2.21 2.53 0.27 1.34 -7.23 -0.71 -4.93 120.40 113.88 3jw0 s VAL 768 Ca 0.46 -0.90 -0.29 0.00 -1.81 0.00 0.00 61.98 59.44 3jw0 s VAL 768 Cb -0.18 -1.97 -0.09 0.00 0.56 0.00 0.00 36.38 34.70 3jw0 s VAL 768 CO 0.15 0.57 1.05 -1.81 -0.31 0.00 0.00 175.10 174.76 3jw0 s ASP 769 N -0.26 7.36 0.07 4.85 1.01 -1.26 0.21 116.67 128.65 3jw0 s ASP 769 Ca 0.00 2.18 -0.00 0.00 0.71 0.00 0.00 52.55 55.44 3jw0 s ASP 769 Cb -0.13 -2.62 -0.26 0.00 1.01 0.00 0.00 42.92 40.92 3jw0 s ASP 769 CO 0.03 -0.06 1.11 -0.07 0.21 0.00 0.00 175.17 176.39 3jw0 h LEU 770 N 3.88 0.28 -8.46 1.23 3.38 -1.41 -3.47 115.31 110.74 3jw0 h LEU 770 Ca -0.46 -0.32 -0.18 0.00 0.09 0.00 0.00 57.88 57.01 3jw0 h LEU 770 Cb 1.21 -0.09 -0.13 0.00 0.09 0.00 0.00 40.66 41.74 3jw0 h LEU 770 CO 0.67 1.25 -0.46 -1.59 0.09 0.00 0.00 178.44 178.40 3jw0 s LYS 771 N -2.66 1.29 -0.05 1.13 -2.85 -1.26 -5.04 119.74 110.30 3jw0 s LYS 771 Ca -0.03 -1.49 -0.37 0.00 -1.00 0.00 0.00 55.97 53.07 3jw0 s LYS 771 Cb 0.08 0.33 -0.15 0.00 -2.06 0.00 0.00 37.83 36.03 3jw0 s LYS 771 CO 0.86 -0.46 1.57 -2.30 0.10 0.00 0.00 175.35 175.12 3jw0 n PRO 772 N -0.29 1.41 -1.58 1.78 -0.02 -1.26 -1.07 135.00 133.96 3jw0 n PRO 772 Ca 0.00 0.51 -0.18 0.00 -2.02 0.00 0.00 63.50 61.81 3jw0 n PRO 772 Cb 0.65 -2.21 -0.07 0.00 -0.02 0.00 0.00 33.50 31.84 3jw0 n PRO 772 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3jw0 n ASN 773 N 4.10 -5.22 0.01 2.55 3.02 -1.26 -4.87 115.26 113.59 3jw0 n ASN 773 Ca 0.21 0.43 0.05 0.00 -0.03 0.00 0.00 54.58 55.24 3jw0 n ASN 773 Cb 0.20 -4.33 0.45 0.00 -0.61 0.00 0.00 39.78 35.48 3jw0 n ASN 773 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 3jw0 h GLY 774 N 0.00 0.54 1.00 7.41 0.00 -1.27 -1.28 103.07 109.48 3jw0 h GLY 774 Ca -0.38 -0.20 0.07 0.00 0.00 0.00 0.00 47.33 46.82 3jw0 h GLY 774 CO 0.55 0.19 0.43 1.48 0.00 0.00 0.00 176.54 179.19 3jw0 h SER 775 N 0.50 0.00 -0.08 0.19 4.64 -1.82 0.88 113.55 117.87 3jw0 h SER 775 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 3jw0 h SER 775 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3jw0 h SER 775 CO -0.03 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.31 3jw0 n GLU 776 N -3.28 1.31 -4.61 4.77 -0.58 -0.49 -4.83 120.64 112.93 3jw0 n GLU 776 Ca 0.03 -1.50 -0.34 0.00 -0.42 0.00 0.00 57.16 54.93 3jw0 n GLU 776 Cb 0.55 -1.30 -0.12 0.00 -0.57 0.00 0.00 31.44 30.00 3jw0 n GLU 776 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 3jw0 s ILE 777 N -1.21 3.63 0.27 -3.67 1.01 0.22 -5.03 121.20 116.42 3jw0 s ILE 777 Ca 0.19 -0.49 -0.15 0.00 0.00 0.00 0.00 60.65 60.20 3jw0 s ILE 777 Cb 0.13 -2.51 -0.08 0.00 0.01 0.00 0.00 42.46 40.01 3jw0 s ILE 777 CO 0.19 0.57 0.69 -0.04 0.00 0.00 0.00 174.94 176.35 3jw0 s MET 778 N -0.42 4.03 -0.75 2.79 -1.94 -1.26 -1.68 119.30 120.07 3jw0 s MET 778 Ca 0.06 0.65 -0.24 0.00 -1.71 0.00 0.00 55.69 54.45 3jw0 s MET 778 Cb -0.12 -2.61 0.06 0.00 2.01 0.00 0.00 34.83 34.17 3jw0 s MET 778 CO 0.02 0.26 1.13 0.08 -0.01 0.00 0.00 175.02 176.51 3jw0 s VAL 779 N -1.81 4.12 0.00 -6.03 1.01 -1.10 -4.88 120.40 111.72 3jw0 s VAL 779 Ca 0.49 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.21 3jw0 s VAL 779 Cb -0.12 -4.81 0.00 0.00 0.00 0.00 0.00 36.38 31.45 3jw0 s VAL 779 CO 0.19 -1.64 0.00 0.35 0.00 0.00 0.00 175.10 173.99 3jw0 n THR 780 N 6.13 0.00 0.00 3.92 -2.24 -1.26 -4.06 114.28 116.76 3jw0 n THR 780 Ca 0.05 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.93 3jw0 n THR 780 Cb 0.47 -1.91 0.23 0.00 -2.10 0.00 0.00 70.33 67.02 3jw0 n THR 780 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3jw0 n ASN 781 N -0.47 3.46 -0.01 3.42 5.15 -1.26 -3.43 115.26 122.12 3jw0 n ASN 781 Ca 0.00 -1.96 0.06 0.00 -0.60 0.00 0.00 54.58 52.08 3jw0 n ASN 781 Cb 0.00 -0.31 -0.12 0.00 -0.53 0.00 0.00 39.78 38.82 3jw0 n ASN 781 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3jw0 n GLU 782 N 1.34 0.60 -0.00 1.20 1.02 -1.26 -4.51 120.64 119.02 3jw0 n GLU 782 Ca 0.19 -0.13 0.01 0.00 -0.02 0.00 0.00 57.16 57.22 3jw0 n GLU 782 Cb 0.56 -1.37 0.01 0.00 -0.02 0.00 0.00 31.44 30.63 3jw0 n GLU 782 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 3jw0 n ASN 783 N -2.10 1.32 -0.00 1.62 0.23 -1.26 -4.69 115.26 110.38 3jw0 n ASN 783 Ca -0.05 -1.18 0.23 0.00 -0.53 0.00 0.00 54.58 53.05 3jw0 n ASN 783 Cb 0.47 -0.00 0.71 0.00 -2.08 0.00 0.00 39.78 38.88 3jw0 n ASN 783 CO 0.00 0.00 0.00 0.07 -0.93 0.00 0.00 177.26 176.40 3jw0 h LYS 784 N 0.58 0.00 0.27 -3.83 2.10 -1.79 -0.49 116.57 113.42 3jw0 h LYS 784 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 3jw0 h LYS 784 Cb 0.15 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.49 3jw0 h LYS 784 CO 0.00 0.00 -0.13 0.00 -2.00 0.00 0.00 179.45 177.32 3jw0 h ARG 785 N 0.00 -0.35 -0.17 0.07 2.47 -1.91 -2.79 114.38 111.71 3jw0 h ARG 785 Ca 0.28 0.02 0.05 0.00 -1.26 0.00 0.00 59.98 59.07 3jw0 h ARG 785 Cb 1.41 0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 29.80 3jw0 h ARG 785 CO -0.00 -0.23 0.74 1.49 0.56 0.00 0.00 179.97 182.53 3jw0 h GLU 786 N -0.72 0.00 0.02 0.04 4.81 -1.47 0.16 114.58 117.42 3jw0 h GLU 786 Ca -0.04 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.15 3jw0 h GLU 786 Cb 0.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.66 3jw0 h GLU 786 CO 0.06 0.00 -0.21 -0.92 -0.73 0.00 0.00 179.01 177.21 3jw0 h TYR 787 N 0.00 0.08 0.00 0.92 3.20 -1.18 -2.82 116.97 117.17 3jw0 h TYR 787 Ca 0.08 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.89 3jw0 h TYR 787 Cb 1.56 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.82 3jw0 h TYR 787 CO 0.00 1.08 0.01 0.82 -1.64 0.00 0.00 178.16 178.43 3jw0 h ILE 788 N -0.90 0.00 0.14 1.81 2.04 -0.43 -0.99 117.51 119.17 3jw0 h ILE 788 Ca -0.05 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 3jw0 h ILE 788 Cb 1.12 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 38.10 3jw0 h ILE 788 CO 0.01 0.00 -0.07 0.44 0.00 0.00 0.00 178.15 178.53 3jw0 h ASP 789 N 0.00 -0.16 -0.77 1.72 3.45 -1.35 -2.86 116.42 116.46 3jw0 h ASP 789 Ca 0.00 -0.36 0.01 0.00 0.43 0.00 0.00 57.03 57.10 3jw0 h ASP 789 Cb 0.02 0.04 -0.04 0.00 -0.56 0.00 0.00 39.33 38.79 3jw0 h ASP 789 CO 0.00 0.44 0.51 -0.07 -1.57 0.00 0.00 179.24 178.55 3jw0 h LEU 790 N -0.91 0.89 -0.64 1.55 3.38 -1.10 0.23 115.31 118.71 3jw0 h LEU 790 Ca -0.02 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 57.98 3jw0 h LEU 790 Cb 0.51 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 3jw0 h LEU 790 CO 0.03 0.65 0.36 0.58 0.09 0.00 0.00 178.44 180.15 3jw0 h VAL 791 N 1.05 1.00 -0.09 1.22 2.07 -1.30 0.20 116.25 120.40 3jw0 h VAL 791 Ca 0.28 -0.24 -0.18 0.00 0.82 0.00 0.00 66.70 67.39 3jw0 h VAL 791 Cb -0.12 0.25 0.01 0.00 -1.52 0.00 0.00 31.29 29.91 3jw0 h VAL 791 CO -0.06 0.13 -0.64 0.40 0.02 0.00 0.00 177.57 177.42 3jw0 h ILE 792 N 0.69 1.35 -0.48 4.57 2.04 -1.22 -0.82 117.51 123.64 3jw0 h ILE 792 Ca 0.28 -1.94 0.10 0.00 1.00 0.00 0.00 64.86 64.29 3jw0 h ILE 792 Cb 0.14 2.23 -0.09 0.00 -0.74 0.00 0.00 36.82 38.36 3jw0 h ILE 792 CO -0.16 0.59 -0.14 1.56 0.00 0.00 0.00 178.15 180.00 3jw0 h GLN 793 N 0.21 -0.03 -0.36 2.37 1.08 -0.15 -1.99 115.11 116.24 3jw0 h GLN 793 Ca -0.05 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 56.98 3jw0 h GLN 793 Cb 1.29 0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 28.72 3jw0 h GLN 793 CO 0.13 -0.02 -0.43 2.35 -0.95 0.00 0.00 178.83 179.91 3jw0 h TRP 794 N -0.03 1.11 -0.61 2.96 7.01 -0.59 0.20 115.95 126.01 3jw0 h TRP 794 Ca 0.23 -0.35 -0.05 0.00 2.11 0.00 0.00 58.89 60.83 3jw0 h TRP 794 Cb 0.38 -0.23 -0.03 0.00 -2.10 0.00 0.00 29.16 27.19 3jw0 h TRP 794 CO -0.43 1.18 0.20 -0.09 -2.79 0.00 0.00 178.44 176.51 3jw0 h ARG 795 N 0.73 0.91 0.00 2.65 1.12 -0.61 -3.37 114.38 115.82 3jw0 h ARG 795 Ca 0.05 -0.17 0.00 0.00 -1.11 0.00 0.00 59.98 58.75 3jw0 h ARG 795 Cb 1.03 -0.15 0.00 0.00 -0.01 0.00 0.00 29.97 30.85 3jw0 h ARG 795 CO 0.10 0.78 0.00 1.19 -3.11 0.00 0.00 179.97 178.94 3jw0 n PHE 796 N -4.29 0.00 0.01 2.20 3.72 -0.80 -5.00 117.46 113.31 3jw0 n PHE 796 Ca 0.05 -0.10 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 3jw0 n PHE 796 Cb 0.20 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.73 3jw0 n PHE 796 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3jw0 n VAL 797 N -0.10 0.07 -0.09 -4.37 0.31 0.56 -4.91 118.33 109.80 3jw0 n VAL 797 Ca 0.00 0.02 -0.08 0.00 -0.01 0.00 0.00 64.34 64.28 3jw0 n VAL 797 Cb 0.22 -0.90 -0.01 0.00 -0.91 0.00 0.00 33.84 32.23 3jw0 n VAL 797 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 3jw0 h ASN 798 N 0.00 -0.93 -0.14 4.52 2.35 -1.35 -3.03 115.58 117.00 3jw0 h ASN 798 Ca 0.00 0.17 -0.03 0.00 -0.55 0.00 0.00 56.30 55.89 3jw0 h ASN 798 Cb 0.35 0.44 -0.02 0.00 0.05 0.00 0.00 38.32 39.14 3jw0 h ASN 798 CO 0.00 -0.30 0.04 0.54 -1.65 0.00 0.00 177.43 176.06 3jw0 n ARG 799 N -5.40 1.60 0.00 0.81 1.74 -1.26 -4.02 116.66 110.13 3jw0 n ARG 799 Ca 0.00 -0.60 0.00 0.00 -0.77 0.00 0.00 57.85 56.48 3jw0 n ARG 799 Cb 0.32 -1.52 0.00 0.00 -1.02 0.00 0.00 32.46 30.24 3jw0 n ARG 799 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 3jw0 n VAL 800 N 0.14 0.00 -0.18 1.55 0.24 -1.15 -4.17 118.33 114.77 3jw0 n VAL 800 Ca 0.07 0.00 -0.03 0.00 -2.04 0.00 0.00 64.34 62.34 3jw0 n VAL 800 Cb 0.53 0.63 0.18 0.00 -1.47 0.00 0.00 33.84 33.70 3jw0 n VAL 800 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 3jw0 h GLN 801 N 0.00 0.93 -0.15 7.34 1.08 -1.68 0.15 115.11 122.78 3jw0 h GLN 801 Ca 0.00 -0.16 0.02 0.00 -1.45 0.00 0.00 58.65 57.06 3jw0 h GLN 801 Cb 0.75 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 28.01 3jw0 h GLN 801 CO 0.00 0.78 0.02 0.87 -0.95 0.00 0.00 178.83 179.55 3jw0 h LYS 802 N 0.91 0.08 0.49 1.46 1.57 -1.92 -0.82 116.57 118.34 3jw0 h LYS 802 Ca 0.21 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.96 3jw0 h LYS 802 Cb 0.21 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.51 3jw0 h LYS 802 CO -0.02 0.05 -0.24 1.96 -0.57 0.00 0.00 179.45 180.64 3jw0 h GLN 803 N 0.08 -0.64 -1.41 3.15 7.50 -1.84 -2.29 115.11 119.65 3jw0 h GLN 803 Ca 0.07 0.04 0.41 0.00 0.50 0.00 0.00 58.65 59.67 3jw0 h GLN 803 Cb 0.06 0.15 -0.06 0.00 0.05 0.00 0.00 27.48 27.68 3jw0 h GLN 803 CO -0.09 -0.43 1.01 1.98 -1.50 0.00 0.00 178.83 179.80 3jw0 h MET 804 N -0.72 0.01 0.03 1.46 4.05 -0.72 0.51 114.93 119.54 3jw0 h MET 804 Ca -0.07 -0.00 -0.23 0.00 -0.28 0.00 0.00 59.70 59.12 3jw0 h MET 804 Cb 0.51 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.31 3jw0 h MET 804 CO 0.11 0.00 -1.00 -0.91 0.23 0.00 0.00 176.91 175.35 3jw0 h ASN 805 N 0.01 0.48 -0.10 1.39 2.35 -0.94 -2.85 115.58 115.91 3jw0 h ASN 805 Ca 0.68 -0.41 -0.01 0.00 -0.55 0.00 0.00 56.30 56.00 3jw0 h ASN 805 Cb 2.69 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 40.91 3jw0 h ASN 805 CO -0.02 1.23 0.02 0.00 -1.65 0.00 0.00 177.43 177.01 3jw0 h ALA 806 N 0.73 0.13 -0.94 -0.83 0.00 0.52 0.07 119.26 118.95 3jw0 h ALA 806 Ca -0.09 -0.15 0.24 0.00 0.00 0.00 0.00 54.91 54.91 3jw0 h ALA 806 Cb 1.65 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 19.34 3jw0 h ALA 806 CO 0.17 -0.21 0.64 0.35 0.00 0.00 0.00 179.25 180.19 3jw0 h PHE 807 N -0.07 0.36 0.23 0.00 3.57 -1.15 0.16 116.94 120.05 3jw0 h PHE 807 Ca 0.03 0.01 -0.33 0.00 3.53 0.00 0.00 57.97 61.21 3jw0 h PHE 807 Cb 0.29 -0.11 0.03 0.00 2.79 0.00 0.00 35.95 38.95 3jw0 h PHE 807 CO 0.02 0.07 -1.49 -0.07 -2.23 0.00 0.00 178.31 174.62 3jw0 h LEU 808 N 0.25 0.78 -0.68 0.59 3.38 -1.19 -1.39 115.31 117.05 3jw0 h LEU 808 Ca 0.49 -0.93 0.14 0.00 0.09 0.00 0.00 57.88 57.67 3jw0 h LEU 808 Cb 1.46 -0.25 -0.12 0.00 0.09 0.00 0.00 40.66 41.84 3jw0 h LEU 808 CO -0.14 1.71 -0.07 -0.08 0.09 0.00 0.00 178.44 179.95 3jw0 h GLU 809 N 0.09 0.06 -0.06 1.13 4.81 0.10 -0.69 114.58 120.02 3jw0 h GLU 809 Ca -0.27 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.91 3jw0 h GLU 809 Cb 2.12 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 31.48 3jw0 h GLU 809 CO 0.25 0.04 -0.15 0.78 -0.73 0.00 0.00 179.01 179.19 3jw0 h GLY 810 N 0.06 0.22 0.11 1.92 0.00 -1.44 -3.19 103.07 100.75 3jw0 h GLY 810 Ca 0.35 -0.28 0.21 0.00 0.00 0.00 0.00 47.33 47.61 3jw0 h GLY 810 CO -0.64 0.25 0.62 -2.75 0.00 0.00 0.00 176.54 174.02 3jw0 h PHE 811 N -0.31 0.82 -0.33 5.60 3.57 -0.55 0.59 116.94 126.32 3jw0 h PHE 811 Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3jw0 h PHE 811 Cb 0.76 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.26 3jw0 h PHE 811 CO 0.12 0.16 0.00 0.25 -2.23 0.00 0.00 178.31 176.62 3jw0 n THR 812 N -4.66 0.44 0.88 4.41 -2.24 -0.33 -2.93 114.28 109.85 3jw0 n THR 812 Ca 0.23 -0.47 0.07 0.00 -2.27 0.00 0.00 64.05 61.60 3jw0 n THR 812 Cb 0.69 0.28 0.19 0.00 -2.10 0.00 0.00 70.33 69.39 3jw0 n THR 812 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3jw0 n GLU 813 N 0.56 1.84 0.00 -0.78 1.02 0.20 -3.79 120.64 119.69 3jw0 n GLU 813 Ca 0.13 -1.30 0.00 0.00 -0.02 0.00 0.00 57.16 55.98 3jw0 n GLU 813 Cb 0.32 -1.30 0.00 0.00 -0.02 0.00 0.00 31.44 30.44 3jw0 n GLU 813 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3jw0 n LEU 814 N 0.55 0.29 -4.18 -4.62 4.77 -1.23 -4.74 117.00 107.83 3jw0 n LEU 814 Ca 0.13 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.94 3jw0 n LEU 814 Cb 0.31 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.29 3jw0 n LEU 814 CO 0.09 0.05 -0.44 -0.76 -1.33 0.00 0.00 177.39 175.00 3jw0 s LEU 815 N -2.61 2.34 -0.57 2.23 1.02 -1.15 -5.03 118.68 114.92 3jw0 s LEU 815 Ca 0.00 -0.72 -0.28 0.00 0.02 0.00 0.00 54.13 53.15 3jw0 s LEU 815 Cb 0.00 -0.44 0.03 0.00 0.02 0.00 0.00 46.19 45.79 3jw0 s LEU 815 CO 0.00 -0.15 1.21 -2.84 0.02 0.00 0.00 176.35 174.59 3jw0 s PRO 816 N -2.27 3.51 0.45 1.29 0.02 -1.26 -3.96 135.00 132.78 3jw0 s PRO 816 Ca 0.02 0.29 0.34 0.00 0.02 0.00 0.00 61.00 61.67 3jw0 s PRO 816 Cb -0.07 -4.02 1.51 0.00 0.02 0.00 0.00 34.50 31.95 3jw0 s PRO 816 CO 0.02 -1.69 1.58 0.97 -0.33 0.00 0.00 177.00 177.55 3jw0 h ILE 817 N 6.18 0.02 0.00 2.83 6.09 -1.92 0.57 117.51 131.29 3jw0 h ILE 817 Ca -0.25 -0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.23 3jw0 h ILE 817 Cb 1.06 0.01 0.00 0.00 0.47 0.00 0.00 36.82 38.36 3jw0 h ILE 817 CO 1.18 0.00 -0.19 -2.24 -3.07 0.00 0.00 178.15 173.83 3jw0 h ASP 818 N 0.01 0.00 0.17 2.19 2.03 -1.96 -3.11 116.42 115.75 3jw0 h ASP 818 Ca 0.88 -0.06 0.00 0.00 -0.73 0.00 0.00 57.03 57.12 3jw0 h ASP 818 Cb 2.90 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 41.40 3jw0 h ASP 818 CO -0.42 0.03 0.00 -0.11 -1.03 0.00 0.00 179.24 177.71 3jw0 n LEU 819 N -2.27 0.00 -0.01 0.15 7.94 0.20 -2.70 117.00 120.32 3jw0 n LEU 819 Ca 0.05 0.12 0.05 0.00 -1.11 0.00 0.00 56.01 55.12 3jw0 n LEU 819 Cb 0.44 -0.12 -0.08 0.00 0.53 0.00 0.00 43.42 44.18 3jw0 n LEU 819 CO 0.32 -0.04 -0.63 0.00 -1.11 0.00 0.00 177.39 175.93 3jw0 n ILE 820 N -1.12 0.03 0.00 1.96 3.06 -1.18 -4.48 119.36 117.63 3jw0 n ILE 820 Ca 0.14 -0.25 0.00 0.00 -2.50 0.00 0.00 62.75 60.14 3jw0 n ILE 820 Cb 0.12 0.22 0.00 0.00 0.54 0.00 0.00 39.64 40.51 3jw0 n ILE 820 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 3jw0 n LYS 821 N -1.89 0.00 0.23 9.51 5.02 -1.10 -0.99 118.16 128.95 3jw0 n LYS 821 Ca -0.02 0.37 0.16 0.00 -2.02 0.00 0.00 58.31 56.79 3jw0 n LYS 821 Cb 0.30 -1.54 0.60 0.00 -0.02 0.00 0.00 35.03 34.37 3jw0 n LYS 821 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 3jw0 h ILE 822 N 0.00 0.00 -2.05 -0.18 2.10 -1.78 -3.43 117.51 112.17 3jw0 h ILE 822 Ca 0.00 -0.46 -0.45 0.00 1.08 0.00 0.00 64.86 65.03 3jw0 h ILE 822 Cb 0.08 1.39 0.01 0.00 -1.09 0.00 0.00 36.82 37.21 3jw0 h ILE 822 CO 0.00 0.00 -0.30 -0.36 -1.08 0.00 0.00 178.15 176.41 3jw0 s PHE 823 N -3.54 3.17 0.40 2.19 0.08 -0.16 -5.11 117.98 115.00 3jw0 s PHE 823 Ca 0.02 -0.10 0.08 0.00 0.12 0.00 0.00 56.93 57.05 3jw0 s PHE 823 Cb 0.09 -2.02 -0.05 0.00 -0.57 0.00 0.00 43.02 40.47 3jw0 s PHE 823 CO 0.51 -0.04 0.20 0.16 -0.10 0.00 0.00 175.22 175.95 3jw0 s ASP 824 N -4.16 4.56 0.15 1.36 1.47 -1.26 -4.82 116.67 113.97 3jw0 s ASP 824 Ca 0.45 -0.96 -0.18 0.00 1.18 0.00 0.00 52.55 53.04 3jw0 s ASP 824 Cb -0.10 -0.55 0.07 0.00 -0.34 0.00 0.00 42.92 42.01 3jw0 s ASP 824 CO 0.32 -0.50 1.16 -1.84 0.68 0.00 0.00 175.17 174.99 3jw0 n GLU 825 N -1.26 -0.25 -0.05 2.11 0.00 -1.26 0.29 120.64 120.23 3jw0 n GLU 825 Ca -0.01 1.14 -0.12 0.00 0.00 0.00 0.00 57.16 58.17 3jw0 n GLU 825 Cb 0.63 -1.69 0.00 0.00 0.00 0.00 0.00 31.44 30.39 3jw0 n GLU 825 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 3jw0 h ASN 826 N 0.00 0.83 0.14 -1.84 2.35 -1.99 -2.75 115.58 112.32 3jw0 h ASN 826 Ca 0.20 -0.44 -0.01 0.00 -0.55 0.00 0.00 56.30 55.50 3jw0 h ASN 826 Cb 0.38 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.52 3jw0 h ASN 826 CO -0.72 1.20 -0.07 -0.33 -1.65 0.00 0.00 177.43 175.86 3jw0 h GLU 827 N 0.58 -0.18 -0.87 0.81 5.08 -0.99 -1.63 114.58 117.37 3jw0 h GLU 827 Ca 0.02 0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.50 3jw0 h GLU 827 Cb 1.11 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 30.33 3jw0 h GLU 827 CO 0.11 0.01 0.56 1.25 -1.00 0.00 0.00 179.01 179.95 3jw0 h LEU 828 N -0.34 0.72 0.23 1.33 5.85 -0.22 0.35 115.31 123.23 3jw0 h LEU 828 Ca -0.02 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 3jw0 h LEU 828 Cb 0.27 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.19 3jw0 h LEU 828 CO 0.03 0.40 -0.11 -0.08 -0.34 0.00 0.00 178.44 178.34 3jw0 h GLU 829 N 0.78 -0.30 0.00 1.25 4.81 -1.21 -1.98 114.58 117.94 3jw0 h GLU 829 Ca 0.42 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.65 3jw0 h GLU 829 Cb 0.54 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.99 3jw0 h GLU 829 CO -0.18 -0.16 -0.07 1.25 -0.73 0.00 0.00 179.01 179.12 3jw0 h LEU 830 N -0.37 0.00 -0.54 1.64 6.46 -0.29 0.15 115.31 122.36 3jw0 h LEU 830 Ca -0.03 0.00 -0.15 0.00 -0.12 0.00 0.00 57.88 57.58 3jw0 h LEU 830 Cb 0.28 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.19 3jw0 h LEU 830 CO 0.05 0.07 -0.73 0.25 -0.62 0.00 0.00 178.44 177.46 3jw0 h LEU 831 N 0.00 0.00 0.00 2.25 5.85 0.39 -2.85 115.31 120.95 3jw0 h LEU 831 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3jw0 h LEU 831 Cb 0.39 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.42 3jw0 h LEU 831 CO 0.01 0.73 -0.56 1.15 -0.34 0.00 0.00 178.44 179.43 3jw0 n MET 832 N -3.67 2.68 -0.04 1.25 0.00 -0.94 -4.70 117.12 111.71 3jw0 n MET 832 Ca -0.01 0.00 0.04 0.00 0.00 0.00 0.00 57.70 57.74 3jw0 n MET 832 Cb 0.71 -0.76 0.06 0.00 0.00 0.00 0.00 33.22 33.23 3jw0 n MET 832 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3jw0 n GLY 834 N -0.89 0.53 3.95 0.00 0.00 -1.08 -4.71 105.19 102.99 3jw0 n GLY 834 Ca 0.07 -0.81 -0.23 0.00 0.00 0.00 0.00 46.02 45.05 3jw0 n GLY 834 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jw0 s LEU 835 N 0.00 3.75 -1.04 0.99 1.43 -1.26 -4.26 118.68 118.28 3jw0 s LEU 835 Ca 0.00 0.36 -0.02 0.00 -1.03 0.00 0.00 54.13 53.44 3jw0 s LEU 835 Cb 0.00 -3.24 0.32 0.00 0.03 0.00 0.00 46.19 43.29 3jw0 s LEU 835 CO 0.00 -0.58 1.66 0.61 0.23 0.00 0.00 176.35 178.28 3jw0 n GLY 836 N -2.00 5.72 3.68 -3.19 0.00 -1.26 -4.99 105.19 103.13 3jw0 n GLY 836 Ca -0.00 -2.62 -0.42 0.00 0.00 0.00 0.00 46.02 42.97 3jw0 n GLY 836 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3jw0 s ASP 837 N -1.58 6.50 0.01 1.61 -1.08 -1.26 -4.78 116.67 116.09 3jw0 s ASP 837 Ca 0.36 2.61 -0.30 0.00 -0.52 0.00 0.00 52.55 54.69 3jw0 s ASP 837 Cb 0.13 -2.55 -0.04 0.00 -1.46 0.00 0.00 42.92 39.00 3jw0 s ASP 837 CO -0.02 -0.99 1.14 -0.69 0.52 0.00 0.00 175.17 175.13 3jw0 s VAL 838 N 3.42 4.33 -0.58 1.11 1.01 -1.26 -4.96 120.40 123.47 3jw0 s VAL 838 Ca 0.81 1.67 -0.27 0.00 0.00 0.00 0.00 61.98 64.19 3jw0 s VAL 838 Cb -0.42 -4.07 -0.02 0.00 0.00 0.00 0.00 36.38 31.87 3jw0 s VAL 838 CO 0.36 0.09 1.85 -0.62 0.00 0.00 0.00 175.10 176.78 3jw0 s ASP 839 N 1.16 5.33 0.53 3.32 -1.08 -1.26 -4.86 116.67 119.82 3jw0 s ASP 839 Ca 0.56 0.43 0.22 0.00 -0.52 0.00 0.00 52.55 53.24 3jw0 s ASP 839 Cb -0.26 -2.53 1.38 0.00 -1.46 0.00 0.00 42.92 40.05 3jw0 s ASP 839 CO 0.26 -2.31 2.06 0.58 0.52 0.00 0.00 175.17 176.28 3jw0 h VAL 840 N 6.88 0.80 0.23 1.11 2.07 -1.99 -2.74 116.25 122.61 3jw0 h VAL 840 Ca -0.27 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 3jw0 h VAL 840 Cb 1.16 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 3jw0 h VAL 840 CO 1.20 0.00 -0.11 0.78 0.02 0.00 0.00 177.57 179.46 3jw0 h ASN 841 N 0.00 -0.26 -1.03 0.57 2.35 -2.00 -1.85 115.58 113.35 3jw0 h ASN 841 Ca 0.15 -0.12 0.30 0.00 -0.55 0.00 0.00 56.30 56.08 3jw0 h ASN 841 Cb 0.62 0.07 -0.04 0.00 0.05 0.00 0.00 38.32 39.02 3jw0 h ASN 841 CO -0.00 0.24 0.78 -0.78 -1.65 0.00 0.00 177.43 176.02 3jw0 h ASP 842 N -1.03 0.00 0.17 5.81 3.58 -1.97 -0.65 116.42 122.32 3jw0 h ASP 842 Ca -0.03 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.41 3jw0 h ASP 842 Cb 0.37 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.42 3jw0 h ASP 842 CO 0.05 0.00 -0.08 -0.25 -2.88 0.00 0.00 179.24 176.08 3jw0 h TRP 843 N 0.00 -0.21 -0.86 0.28 2.91 -1.46 -2.85 115.95 113.76 3jw0 h TRP 843 Ca 0.49 -0.00 0.22 0.00 1.13 0.00 0.00 58.89 60.72 3jw0 h TRP 843 Cb 2.05 0.07 -0.13 0.00 -0.51 0.00 0.00 29.16 30.63 3jw0 h TRP 843 CO 0.00 -0.13 0.26 -0.09 -1.03 0.00 0.00 178.44 177.45 3jw0 h ARG 844 N -0.40 0.25 0.00 2.65 2.43 -0.40 -0.65 114.38 118.25 3jw0 h ARG 844 Ca -0.02 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.10 3jw0 h ARG 844 Cb 0.17 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.66 3jw0 h ARG 844 CO 0.04 0.16 -0.15 1.96 -1.51 0.00 0.00 179.97 180.47 3jw0 h GLN 845 N 0.25 0.00 -0.91 0.20 4.20 -1.24 -3.10 115.11 114.51 3jw0 h GLN 845 Ca 0.53 0.00 -0.60 0.00 0.06 0.00 0.00 58.65 58.64 3jw0 h GLN 845 Cb 1.04 0.00 -0.38 0.00 0.30 0.00 0.00 27.48 28.43 3jw0 h GLN 845 CO -0.61 0.15 -0.27 0.72 -0.67 0.00 0.00 178.83 178.16 3jw0 n HIS 846 N -3.73 2.94 -4.26 2.96 8.25 -0.25 -4.99 115.22 116.14 3jw0 n HIS 846 Ca -0.02 -2.52 -0.30 0.00 -0.26 0.00 0.00 57.72 54.63 3jw0 n HIS 846 Cb 0.27 -0.67 -0.10 0.00 1.12 0.00 0.00 29.99 30.61 3jw0 n HIS 846 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3jw0 s SER 847 N -3.01 4.43 0.07 0.41 0.01 -1.17 -3.74 113.70 110.69 3jw0 s SER 847 Ca 0.55 -0.36 0.08 0.00 1.31 0.00 0.00 55.95 57.53 3jw0 s SER 847 Cb 0.44 -0.87 -0.03 0.00 0.21 0.00 0.00 66.02 65.77 3jw0 s SER 847 CO -0.00 0.19 -0.23 0.27 0.41 0.00 0.00 173.24 173.88 3jw0 s ILE 848 N -1.19 1.85 -0.00 1.44 -4.36 -0.36 -5.00 121.20 113.57 3jw0 s ILE 848 Ca 0.21 -1.38 0.05 0.00 -0.26 0.00 0.00 60.65 59.27 3jw0 s ILE 848 Cb -0.11 -1.62 -0.03 0.00 1.25 0.00 0.00 42.46 41.95 3jw0 s ILE 848 CO 0.13 0.18 -0.14 -0.31 0.24 0.00 0.00 174.94 175.03 3jw0 s TYR 849 N -0.90 2.68 0.06 1.37 2.02 -1.26 -1.50 117.35 119.81 3jw0 s TYR 849 Ca 0.09 -0.18 0.00 0.00 -0.37 0.00 0.00 57.07 56.61 3jw0 s TYR 849 Cb -0.09 -1.56 -0.04 0.00 -0.40 0.00 0.00 41.96 39.87 3jw0 s TYR 849 CO 0.03 0.25 -0.05 0.15 -1.57 0.00 0.00 175.55 174.36 3jw0 s LYS 850 N -1.16 0.64 -0.90 -0.62 1.02 -0.77 -4.88 119.74 113.07 3jw0 s LYS 850 Ca 0.14 -1.15 -0.06 0.00 0.02 0.00 0.00 55.97 54.93 3jw0 s LYS 850 Cb -0.11 0.02 -0.01 0.00 -0.52 0.00 0.00 37.83 37.21 3jw0 s LYS 850 CO 0.04 -0.06 0.74 -1.71 -0.92 0.00 0.00 175.35 173.44 3jw0 n ASN 851 N 0.35 -6.58 0.00 2.83 5.15 -1.26 -2.65 115.26 113.10 3jw0 n ASN 851 Ca -0.15 -0.54 0.00 0.00 -0.60 0.00 0.00 54.58 53.29 3jw0 n ASN 851 Cb 0.60 -4.27 0.00 0.00 -0.53 0.00 0.00 39.78 35.58 3jw0 n ASN 851 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3jw0 n GLY 852 N -1.63 2.82 3.72 8.20 0.00 -1.26 -3.85 105.19 113.18 3jw0 n GLY 852 Ca -0.09 -0.70 -0.33 0.00 0.00 0.00 0.00 46.02 44.91 3jw0 n GLY 852 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3jw0 s TYR 853 N 0.00 2.11 0.22 1.61 2.02 -1.25 -5.06 117.35 117.01 3jw0 s TYR 853 Ca 0.00 1.64 -0.22 0.00 -0.37 0.00 0.00 57.07 58.12 3jw0 s TYR 853 Cb 0.00 -3.31 0.04 0.00 -0.40 0.00 0.00 41.96 38.29 3jw0 s TYR 853 CO 0.00 -2.38 0.68 0.00 -1.57 0.00 0.00 175.55 172.28 3jw0 n PRO 855 N -0.42 -0.24 -0.40 0.00 -0.02 -1.26 -1.62 135.00 131.03 3jw0 n PRO 855 Ca -0.10 1.51 0.07 0.00 -2.02 0.00 0.00 63.50 62.96 3jw0 n PRO 855 Cb 0.62 -2.24 0.25 0.00 -0.02 0.00 0.00 33.50 32.10 3jw0 n PRO 855 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3jw0 n ASN 856 N -5.43 3.35 -4.77 2.55 5.03 -1.26 -4.49 115.26 110.23 3jw0 n ASN 856 Ca 0.10 -2.25 -0.37 0.00 0.87 0.00 0.00 54.58 52.92 3jw0 n ASN 856 Cb 0.39 -0.45 -0.01 0.00 -1.02 0.00 0.00 39.78 38.69 3jw0 n ASN 856 CO 0.00 0.00 0.00 -2.28 -1.83 0.00 0.00 177.26 173.15 3jw0 s HIS 857 N -1.67 2.84 0.16 3.10 2.46 -0.64 -4.81 115.29 116.73 3jw0 s HIS 857 Ca 0.36 1.52 -0.21 0.00 0.47 0.00 0.00 55.06 57.20 3jw0 s HIS 857 Cb 0.22 -3.41 0.05 0.00 -0.13 0.00 0.00 32.58 29.31 3jw0 s HIS 857 CO 0.19 -1.61 1.64 -1.35 -2.47 0.00 0.00 174.74 171.14 3jw0 h PRO 858 N 2.02 -0.18 -0.36 2.88 0.11 -1.92 0.26 132.00 134.80 3jw0 h PRO 858 Ca -0.49 0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.63 3jw0 h PRO 858 Cb 1.25 0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.38 3jw0 h PRO 858 CO 0.60 -0.12 0.24 0.28 -0.21 0.00 0.00 178.00 178.79 3jw0 h VAL 859 N -0.18 1.09 -0.75 3.15 2.07 -1.92 -2.17 116.25 117.52 3jw0 h VAL 859 Ca 0.16 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.51 3jw0 h VAL 859 Cb 0.42 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 3jw0 h VAL 859 CO -0.41 0.09 0.47 0.40 0.02 0.00 0.00 177.57 178.14 3jw0 h ILE 860 N 0.49 1.20 -0.76 4.57 1.08 -1.76 -0.26 117.51 122.07 3jw0 h ILE 860 Ca 0.14 -0.42 0.05 0.00 -0.39 0.00 0.00 64.86 64.24 3jw0 h ILE 860 Cb -0.05 0.14 -0.05 0.00 -3.07 0.00 0.00 36.82 33.79 3jw0 h ILE 860 CO -0.03 0.21 0.50 -0.61 -0.69 0.00 0.00 178.15 177.52 3jw0 h GLN 861 N 1.02 0.84 -0.04 2.37 5.75 -0.05 -2.48 115.11 122.52 3jw0 h GLN 861 Ca 0.27 -0.05 -0.08 0.00 -0.15 0.00 0.00 58.65 58.64 3jw0 h GLN 861 Cb -0.07 -0.19 0.00 0.00 1.07 0.00 0.00 27.48 28.29 3jw0 h GLN 861 CO -0.05 0.55 -0.28 -1.49 -2.65 0.00 0.00 178.83 174.91 3jw0 h TRP 862 N 0.86 0.35 -0.64 3.99 6.55 -0.77 -3.11 115.95 123.18 3jw0 h TRP 862 Ca 0.32 -0.16 0.06 0.00 0.95 0.00 0.00 58.89 60.05 3jw0 h TRP 862 Cb 0.17 -0.05 -0.08 0.00 -0.86 0.00 0.00 29.16 28.34 3jw0 h TRP 862 CO -0.00 0.91 -0.38 0.34 -1.05 0.00 0.00 178.44 178.26 3jw0 n PHE 863 N -4.48 -0.28 -0.05 0.49 7.35 -0.17 -0.13 117.46 120.18 3jw0 n PHE 863 Ca -0.09 0.80 0.06 0.00 -0.76 0.00 0.00 57.45 57.46 3jw0 n PHE 863 Cb 0.49 -0.55 0.42 0.00 0.35 0.00 0.00 39.48 40.19 3jw0 n PHE 863 CO 0.00 0.00 0.00 -1.49 -0.76 0.00 0.00 176.76 174.51 3jw0 h TRP 864 N 0.00 0.56 0.00 -5.13 4.06 -1.64 0.33 115.95 114.13 3jw0 h TRP 864 Ca 0.10 0.01 -0.03 0.00 2.06 0.00 0.00 58.89 61.04 3jw0 h TRP 864 Cb 0.26 -0.19 -0.00 0.00 -1.00 0.00 0.00 29.16 28.23 3jw0 h TRP 864 CO -0.97 0.33 -0.14 0.87 -3.56 0.00 0.00 178.44 174.97 3jw0 h LYS 865 N 0.58 0.00 0.02 0.49 1.57 -0.61 0.26 116.57 118.87 3jw0 h LYS 865 Ca 0.20 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.74 3jw0 h LYS 865 Cb 0.09 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.41 3jw0 h LYS 865 CO -0.05 0.14 -1.01 0.00 -0.57 0.00 0.00 179.45 177.96 3jw0 h ALA 866 N 1.86 0.25 -0.44 3.86 0.00 0.31 -2.97 119.26 122.13 3jw0 h ALA 866 Ca -0.00 -0.72 -0.14 0.00 0.00 0.00 0.00 54.91 54.05 3jw0 h ALA 866 Cb 0.61 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3jw0 h ALA 866 CO 0.02 0.77 -0.27 0.28 0.00 0.00 0.00 179.25 180.05 3jw0 h VAL 867 N 0.28 1.27 -0.88 0.00 2.07 -0.22 -2.23 116.25 116.54 3jw0 h VAL 867 Ca -0.11 -1.44 0.17 0.00 0.82 0.00 0.00 66.70 66.14 3jw0 h VAL 867 Cb 1.66 1.24 -0.07 0.00 -1.52 0.00 0.00 31.29 32.60 3jw0 h VAL 867 CO 0.18 0.49 0.57 -0.07 0.02 0.00 0.00 177.57 178.77 3jw0 h LEU 868 N 0.79 0.53 0.07 2.57 -0.00 -0.48 -1.99 115.31 116.81 3jw0 h LEU 868 Ca 0.09 0.04 -0.19 0.00 -0.00 0.00 0.00 57.88 57.82 3jw0 h LEU 868 Cb 0.86 -0.06 0.02 0.00 -0.00 0.00 0.00 40.66 41.47 3jw0 h LEU 868 CO 0.08 0.25 -0.80 -0.07 -0.00 0.00 0.00 178.44 177.90 3jw0 h LEU 869 N 0.55 0.57 -9.61 1.67 3.38 -1.30 -3.46 115.31 107.11 3jw0 h LEU 869 Ca 0.45 -0.84 -0.55 0.00 0.09 0.00 0.00 57.88 57.03 3jw0 h LEU 869 Cb 0.91 -0.18 0.21 0.00 0.09 0.00 0.00 40.66 41.69 3jw0 h LEU 869 CO -0.19 1.36 -0.70 0.23 0.09 0.00 0.00 178.44 179.23 3jw0 n MET 870 N -4.11 -0.03 -3.31 1.13 2.81 -0.75 -5.00 117.12 107.86 3jw0 n MET 870 Ca -0.12 0.03 -0.19 0.00 -1.81 0.00 0.00 57.70 55.61 3jw0 n MET 870 Cb 0.78 -1.71 -0.01 0.00 -0.71 0.00 0.00 33.22 31.58 3jw0 n MET 870 CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 3jw0 s ASP 871 N -1.66 5.31 0.11 7.83 -4.77 -1.26 -4.85 116.67 117.38 3jw0 s ASP 871 Ca 0.58 -0.62 -0.19 0.00 -3.30 0.00 0.00 52.55 49.01 3jw0 s ASP 871 Cb -0.27 -0.55 -0.02 0.00 -1.09 0.00 0.00 42.92 40.99 3jw0 s ASP 871 CO 0.66 -0.74 1.01 0.00 0.70 0.00 0.00 175.17 176.80 3jw0 n ALA 872 N -1.71 -0.38 0.00 2.11 0.00 -1.26 -1.43 120.51 117.84 3jw0 n ALA 872 Ca 0.06 0.57 -0.00 0.00 0.00 0.00 0.00 53.44 54.06 3jw0 n ALA 872 Cb 0.61 -0.11 -0.00 0.00 0.00 0.00 0.00 19.45 19.94 3jw0 n ALA 872 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3jw0 h GLU 873 N 0.00 -0.01 -1.44 0.00 4.81 -1.96 -1.78 114.58 114.19 3jw0 h GLU 873 Ca 0.12 0.00 0.42 0.00 -0.13 0.00 0.00 59.36 59.77 3jw0 h GLU 873 Cb 0.28 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.59 3jw0 h GLU 873 CO -0.62 -0.01 1.02 0.87 -0.73 0.00 0.00 179.01 179.54 3jw0 h LYS 874 N -0.01 0.04 0.22 1.92 6.56 -1.75 0.14 116.57 123.70 3jw0 h LYS 874 Ca -0.00 -0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.58 3jw0 h LYS 874 Cb 0.01 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 3jw0 h LYS 874 CO -0.00 0.03 -0.11 0.00 -2.06 0.00 0.00 179.45 177.31 3jw0 h ARG 875 N 0.05 -0.29 -0.99 3.15 3.08 -0.82 -1.57 114.38 117.00 3jw0 h ARG 875 Ca 0.72 0.02 0.14 0.00 0.07 0.00 0.00 59.98 60.93 3jw0 h ARG 875 Cb 2.72 0.07 -0.09 0.00 0.08 0.00 0.00 29.97 32.75 3jw0 h ARG 875 CO -0.09 0.09 0.61 0.82 -1.07 0.00 0.00 179.97 180.33 3jw0 h ILE 876 N -0.84 0.84 0.45 2.04 2.04 0.07 -0.85 117.51 121.26 3jw0 h ILE 876 Ca -0.03 -0.31 -0.02 0.00 1.00 0.00 0.00 64.86 65.50 3jw0 h ILE 876 Cb 0.51 -0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 3jw0 h ILE 876 CO 0.05 0.16 -0.22 0.03 0.00 0.00 0.00 178.15 178.18 3jw0 h ARG 877 N 0.89 -0.58 -0.93 2.37 3.08 -1.19 0.07 114.38 118.08 3jw0 h ARG 877 Ca 0.52 0.04 0.25 0.00 0.07 0.00 0.00 59.98 60.86 3jw0 h ARG 877 Cb 0.62 0.13 -0.13 0.00 0.08 0.00 0.00 29.97 30.67 3jw0 h ARG 877 CO -0.31 -0.36 0.43 1.25 -1.07 0.00 0.00 179.97 179.92 3jw0 h LEU 878 N -0.67 0.36 -0.68 3.04 5.85 -0.19 0.60 115.31 123.62 3jw0 h LEU 878 Ca -0.06 0.17 -0.12 0.00 0.84 0.00 0.00 57.88 58.71 3jw0 h LEU 878 Cb 0.50 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 3jw0 h LEU 878 CO 0.10 -0.04 -0.25 0.25 -0.34 0.00 0.00 178.44 178.16 3jw0 h LEU 879 N 0.38 0.77 -0.55 2.25 5.85 -0.80 -2.54 115.31 120.66 3jw0 h LEU 879 Ca 0.61 -0.28 -0.16 0.00 0.84 0.00 0.00 57.88 58.89 3jw0 h LEU 879 Cb 1.23 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 3jw0 h LEU 879 CO -0.56 0.98 -0.62 -0.61 -0.34 0.00 0.00 178.44 177.29 3jw0 h GLN 880 N 0.65 0.36 -0.36 1.25 4.15 0.19 0.30 115.11 121.66 3jw0 h GLN 880 Ca 0.09 -0.25 -0.13 0.00 0.77 0.00 0.00 58.65 59.12 3jw0 h GLN 880 Cb 0.76 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.48 3jw0 h GLN 880 CO 0.06 0.87 -0.31 0.35 -1.93 0.00 0.00 178.83 177.87 3jw0 h PHE 881 N 0.27 0.92 0.13 3.99 3.57 0.00 0.17 116.94 125.99 3jw0 h PHE 881 Ca -0.01 -0.24 -0.34 0.00 3.53 0.00 0.00 57.97 60.91 3jw0 h PHE 881 Cb 1.15 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.68 3jw0 h PHE 881 CO 0.03 1.00 -1.75 0.28 -2.23 0.00 0.00 178.31 175.63 3jw0 h VAL 882 N 0.66 0.90 0.00 1.41 2.07 -1.41 -3.41 116.25 116.48 3jw0 h VAL 882 Ca 0.07 -2.56 0.00 0.00 0.82 0.00 0.00 66.70 65.03 3jw0 h VAL 882 Cb 0.85 2.66 0.00 0.00 -1.52 0.00 0.00 31.29 33.28 3jw0 h VAL 882 CO 0.07 0.83 -1.60 0.35 0.02 0.00 0.00 177.57 177.24 3jw0 n THR 883 N -3.47 0.00 -0.75 2.57 -2.24 0.09 -3.59 114.28 106.88 3jw0 n THR 883 Ca -0.24 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 3jw0 n THR 883 Cb 1.06 0.31 0.00 0.00 -2.10 0.00 0.00 70.33 69.60 3jw0 n THR 883 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3jw0 n GLY 884 N 1.44 0.62 3.07 3.38 0.00 0.05 -4.75 105.19 109.00 3jw0 n GLY 884 Ca -0.02 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 3jw0 n GLY 884 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3jw0 s THR 885 N -2.00 -0.02 -2.03 2.61 -1.32 -1.25 -5.00 115.64 106.63 3jw0 s THR 885 Ca 0.00 0.09 0.29 0.00 -1.21 0.00 0.00 61.69 60.86 3jw0 s THR 885 Cb 0.00 -0.35 0.62 0.00 -1.51 0.00 0.00 72.50 71.26 3jw0 s THR 885 CO 0.00 0.04 1.93 -1.54 -2.21 0.00 0.00 174.62 172.84 3jw0 n SER 886 N 3.70 0.66 -4.84 8.08 3.41 -1.26 -3.56 113.62 119.81 3jw0 n SER 886 Ca -0.20 -1.01 -0.20 0.00 -0.26 0.00 0.00 58.87 57.20 3jw0 n SER 886 Cb 0.55 -0.02 0.08 0.00 -0.26 0.00 0.00 64.21 64.56 3jw0 n SER 886 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3jw0 n ARG 887 N -0.61 0.44 -3.84 4.33 5.12 -1.26 -4.88 116.66 115.96 3jw0 n ARG 887 Ca 0.19 -3.02 -0.12 0.00 -1.93 0.00 0.00 57.85 52.97 3jw0 n ARG 887 Cb 0.25 -0.34 -0.12 0.00 -1.16 0.00 0.00 32.46 31.09 3jw0 n ARG 887 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3jw0 s VAL 888 N -2.71 0.02 1.07 1.55 1.01 -1.26 -5.02 120.40 115.05 3jw0 s VAL 888 Ca 0.62 -0.13 -0.17 0.00 0.00 0.00 0.00 61.98 62.30 3jw0 s VAL 888 Cb -0.05 -0.22 0.08 0.00 0.00 0.00 0.00 36.38 36.19 3jw0 s VAL 888 CO 0.40 -0.07 0.09 -2.65 0.00 0.00 0.00 175.10 172.87 3jw0 n PRO 889 N 2.75 -1.19 -0.04 2.72 -0.02 -1.26 -4.89 135.00 133.07 3jw0 n PRO 889 Ca -0.14 -0.32 -0.05 0.00 -2.02 0.00 0.00 63.50 60.97 3jw0 n PRO 889 Cb 0.58 -1.73 0.17 0.00 -0.02 0.00 0.00 33.50 32.51 3jw0 n PRO 889 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 3jw0 h MET 890 N -1.90 0.62 -0.97 -0.52 1.85 -1.94 -2.99 114.93 109.08 3jw0 h MET 890 Ca -0.50 -0.22 -0.51 0.00 -0.61 0.00 0.00 59.70 57.86 3jw0 h MET 890 Cb 1.34 -0.05 -0.30 0.00 0.43 0.00 0.00 31.60 33.02 3jw0 h MET 890 CO 0.37 0.77 0.63 0.09 -0.40 0.00 0.00 176.91 178.37 3jw0 n ASN 891 N -4.15 3.83 -0.38 1.39 5.03 -1.26 -5.05 115.26 114.67 3jw0 n ASN 891 Ca 0.00 -3.62 0.02 0.00 0.87 0.00 0.00 54.58 51.85 3jw0 n ASN 891 Cb 0.38 -0.84 -0.00 0.00 -1.02 0.00 0.00 39.78 38.30 3jw0 n ASN 891 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3jw0 n GLY 892 N -1.14 -1.80 0.00 7.41 0.00 -1.13 -4.14 105.19 104.39 3jw0 n GLY 892 Ca 0.59 -1.31 0.01 0.00 0.00 0.00 0.00 46.02 45.31 3jw0 n GLY 892 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3jw0 n PHE 893 N -1.02 0.00 0.09 1.61 3.72 -1.26 -1.45 117.46 119.15 3jw0 n PHE 893 Ca 0.00 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.36 3jw0 n PHE 893 Cb 0.05 -0.37 -0.02 0.00 -0.94 0.00 0.00 39.48 38.21 3jw0 n PHE 893 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3jw0 h ALA 894 N 2.09 0.56 -0.96 4.37 0.00 -1.87 -3.30 119.26 120.15 3jw0 h ALA 894 Ca 0.00 -0.76 -0.62 0.00 0.00 0.00 0.00 54.91 53.53 3jw0 h ALA 894 Cb 0.03 -0.13 -0.30 0.00 0.00 0.00 0.00 17.79 17.39 3jw0 h ALA 894 CO 0.00 1.04 0.69 0.39 0.00 0.00 0.00 179.25 181.37 3jw0 n GLU 895 N -3.45 2.63 -2.72 0.00 -0.58 -0.53 -4.90 120.64 111.09 3jw0 n GLU 895 Ca -0.00 -3.28 -0.34 0.00 -0.42 0.00 0.00 57.16 53.11 3jw0 n GLU 895 Cb 0.82 -2.25 -0.06 0.00 -0.57 0.00 0.00 31.44 29.39 3jw0 n GLU 895 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 3jw0 s LEU 896 N -3.68 4.00 0.18 -4.62 2.96 -1.24 -4.77 118.68 111.51 3jw0 s LEU 896 Ca 0.62 1.81 0.09 0.00 -0.22 0.00 0.00 54.13 56.42 3jw0 s LEU 896 Cb 0.49 -4.43 -0.04 0.00 0.50 0.00 0.00 46.19 42.71 3jw0 s LEU 896 CO 0.02 -0.43 -0.18 -0.31 -1.32 0.00 0.00 176.35 174.13 3jw0 s TYR 897 N -1.99 1.86 0.05 5.38 1.51 -1.26 -1.20 117.35 121.70 3jw0 s TYR 897 Ca 0.61 -0.47 0.00 0.00 -1.01 0.00 0.00 57.07 56.20 3jw0 s TYR 897 Cb -0.14 -0.90 -0.00 0.00 -0.11 0.00 0.00 41.96 40.81 3jw0 s TYR 897 CO 0.18 0.38 0.01 0.41 -1.11 0.00 0.00 175.55 175.41 3jw0 n GLY 898 N 0.09 4.06 0.20 0.71 0.00 0.34 -4.69 105.19 105.89 3jw0 n GLY 898 Ca -0.11 -2.06 -0.02 0.00 0.00 0.00 0.00 46.02 43.82 3jw0 n GLY 898 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3jw0 h SER 899 N 0.16 -0.04 -0.56 1.61 0.02 -1.72 -2.56 113.55 110.46 3jw0 h SER 899 Ca -0.04 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 3jw0 h SER 899 Cb 0.14 0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.82 3jw0 h SER 899 CO 0.07 0.01 0.00 0.59 -1.14 0.00 0.00 176.83 176.35 3jw0 n ASN 900 N -5.14 3.19 0.00 3.07 4.13 -1.26 -5.06 115.26 114.20 3jw0 n ASN 900 Ca 0.05 -2.06 0.00 0.00 1.68 0.00 0.00 54.58 54.25 3jw0 n ASN 900 Cb 0.24 -0.40 0.00 0.00 -1.54 0.00 0.00 39.78 38.08 3jw0 n ASN 900 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3jw0 n GLY 901 N 1.33 0.74 3.66 7.41 0.00 -0.96 -5.05 105.19 112.32 3jw0 n GLY 901 Ca 0.19 -2.11 -0.52 0.00 0.00 0.00 0.00 46.02 43.58 3jw0 n GLY 901 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3jw0 n PRO 902 N 0.00 1.46 -3.26 1.61 -0.02 -1.26 0.13 135.00 133.65 3jw0 n PRO 902 Ca 0.00 0.53 -0.05 0.00 -2.02 0.00 0.00 63.50 61.96 3jw0 n PRO 902 Cb 0.00 -2.24 -0.05 0.00 -0.02 0.00 0.00 33.50 31.20 3jw0 n PRO 902 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3jw0 s GLN 903 N 2.16 0.45 0.78 -0.52 2.00 -0.34 -4.73 119.66 119.46 3jw0 s GLN 903 Ca 0.90 0.33 -0.14 0.00 -2.00 0.00 0.00 55.36 54.45 3jw0 s GLN 903 Cb -0.91 -0.14 0.07 0.00 0.80 0.00 0.00 33.01 32.82 3jw0 s GLN 903 CO 0.53 -0.96 1.20 -0.51 -0.50 0.00 0.00 175.29 175.04 3jw0 s LEU 904 N 2.63 3.19 0.27 3.68 1.43 -1.26 -4.18 118.68 124.43 3jw0 s LEU 904 Ca 0.11 2.32 -0.30 0.00 -1.03 0.00 0.00 54.13 55.23 3jw0 s LEU 904 Cb -0.12 -4.58 -0.13 0.00 0.03 0.00 0.00 46.19 41.38 3jw0 s LEU 904 CO -0.27 -2.50 1.32 0.33 0.23 0.00 0.00 176.35 175.46 3jw0 n PHE 905 N -3.14 2.03 -4.26 0.29 7.35 -1.25 -4.79 117.46 113.70 3jw0 n PHE 905 Ca 0.13 0.51 -0.21 0.00 -0.76 0.00 0.00 57.45 57.12 3jw0 n PHE 905 Cb 0.51 -2.41 -0.12 0.00 0.35 0.00 0.00 39.48 37.80 3jw0 n PHE 905 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 3jw0 s THR 906 N -0.44 1.52 -0.12 -2.13 2.01 -0.10 -1.23 115.64 115.15 3jw0 s THR 906 Ca 0.64 -1.57 -0.02 0.00 0.31 0.00 0.00 61.69 61.04 3jw0 s THR 906 Cb -0.65 -1.48 0.04 0.00 0.01 0.00 0.00 72.50 70.42 3jw0 s THR 906 CO 0.54 -0.20 0.03 -0.63 -0.69 0.00 0.00 174.62 173.67 3jw0 s ILE 907 N -1.49 0.28 -0.01 1.82 1.01 -0.56 -1.99 121.20 120.26 3jw0 s ILE 907 Ca 0.06 -0.07 0.08 0.00 0.00 0.00 0.00 60.65 60.72 3jw0 s ILE 907 Cb -0.08 -0.63 -0.02 0.00 0.01 0.00 0.00 42.46 41.74 3jw0 s ILE 907 CO 0.04 0.03 -0.26 -0.70 0.00 0.00 0.00 174.94 174.05 3jw0 s GLU 908 N 1.99 2.05 0.06 2.79 2.12 0.49 -1.85 118.70 126.36 3jw0 s GLU 908 Ca 0.03 -0.97 -0.30 0.00 0.36 0.00 0.00 54.97 54.09 3jw0 s GLU 908 Cb -0.14 -2.04 -0.05 0.00 0.26 0.00 0.00 34.13 32.16 3jw0 s GLU 908 CO -0.06 0.55 1.11 -1.14 -0.54 0.00 0.00 175.26 175.17 3jw0 s GLN 909 N -0.77 4.51 -0.18 4.30 0.74 -1.08 -0.24 119.66 126.93 3jw0 s GLN 909 Ca 0.11 1.64 -0.28 0.00 0.05 0.00 0.00 55.36 56.88 3jw0 s GLN 909 Cb -0.10 -3.37 0.08 0.00 1.10 0.00 0.00 33.01 30.72 3jw0 s GLN 909 CO -0.00 -0.12 0.77 -0.46 -0.55 0.00 0.00 175.29 174.92 3jw0 s TRP 910 N 0.82 -0.67 0.06 1.67 -0.00 -1.14 -4.83 118.94 114.84 3jw0 s TRP 910 Ca 0.55 1.43 0.00 0.00 -0.00 0.00 0.00 56.10 58.08 3jw0 s TRP 910 Cb -0.26 0.35 0.00 0.00 -0.00 0.00 0.00 33.47 33.55 3jw0 s TRP 910 CO 0.30 -0.44 0.00 0.41 -0.00 0.00 0.00 176.95 177.21 3jw0 n GLY 911 N 1.81 -2.17 3.96 5.86 0.00 -1.26 -1.97 105.19 111.41 3jw0 n GLY 911 Ca -0.15 -1.45 -0.22 0.00 0.00 0.00 0.00 46.02 44.19 3jw0 n GLY 911 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jw0 s SER 912 N -3.10 6.11 0.35 1.61 1.04 -1.26 -4.27 113.70 114.18 3jw0 s SER 912 Ca 0.00 0.25 0.24 0.00 0.48 0.00 0.00 55.95 56.92 3jw0 s SER 912 Cb 0.00 -1.73 1.28 0.00 0.10 0.00 0.00 66.02 65.66 3jw0 s SER 912 CO 0.00 -0.40 1.75 -0.65 0.98 0.00 0.00 173.24 174.91 3jw0 h PRO 913 N 0.73 0.00 0.53 4.02 0.11 -1.90 -2.95 132.00 132.54 3jw0 h PRO 913 Ca -0.48 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 3jw0 h PRO 913 Cb 1.24 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.35 3jw0 h PRO 913 CO 0.59 0.00 -0.25 0.93 -0.21 0.00 0.00 178.00 179.05 3jw0 h GLU 914 N 0.00 -0.68 -6.88 1.05 5.08 -1.95 -3.46 114.58 107.73 3jw0 h GLU 914 Ca 0.00 0.05 -0.57 0.00 -1.00 0.00 0.00 59.36 57.84 3jw0 h GLU 914 Cb 0.06 0.16 0.15 0.00 0.50 0.00 0.00 28.75 29.62 3jw0 h GLU 914 CO 0.00 -0.39 0.33 1.63 -1.00 0.00 0.00 179.01 179.59 3jw0 n LYS 915 N -5.32 1.32 -2.13 2.33 5.02 -1.11 -5.02 118.16 113.24 3jw0 n LYS 915 Ca -0.11 0.49 -0.30 0.00 -2.02 0.00 0.00 58.31 56.36 3jw0 n LYS 915 Cb 0.32 -2.32 0.00 0.00 -0.02 0.00 0.00 35.03 33.02 3jw0 n LYS 915 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3jw0 s LEU 916 N -2.35 3.38 0.38 -0.35 1.43 -1.26 -4.83 118.68 115.07 3jw0 s LEU 916 Ca 0.72 1.33 -0.26 0.00 -1.03 0.00 0.00 54.13 54.88 3jw0 s LEU 916 Cb -0.44 -4.34 -0.09 0.00 0.03 0.00 0.00 46.19 41.35 3jw0 s LEU 916 CO 0.50 -0.76 1.22 -2.16 0.23 0.00 0.00 176.35 175.37 3jw0 s PRO 917 N -4.91 4.15 0.38 1.29 0.04 -1.26 -4.88 135.00 129.80 3jw0 s PRO 917 Ca 0.54 1.98 0.08 0.00 0.04 0.00 0.00 61.00 63.63 3jw0 s PRO 917 Cb -0.11 -2.82 -0.04 0.00 0.04 0.00 0.00 34.50 31.57 3jw0 s PRO 917 CO 0.49 -0.28 0.19 1.03 0.04 0.00 0.00 177.00 178.46 3jw0 s ARG 918 N -2.11 2.34 -0.01 4.56 0.52 -0.74 -4.95 118.95 118.56 3jw0 s ARG 918 Ca 0.54 -1.66 -0.17 0.00 -0.52 0.00 0.00 55.73 53.92 3jw0 s ARG 918 Cb -0.34 -2.13 0.03 0.00 0.52 0.00 0.00 34.95 33.03 3jw0 s ARG 918 CO 0.44 -0.02 0.37 0.00 0.02 0.00 0.00 175.30 176.11 3jw0 s ALA 919 N -2.50 -0.94 -0.42 2.13 0.00 -1.26 -0.09 121.76 118.68 3jw0 s ALA 919 Ca 0.40 0.46 0.03 0.00 0.00 0.00 0.00 51.96 52.85 3jw0 s ALA 919 Cb -0.00 0.09 0.12 0.00 0.00 0.00 0.00 23.12 23.33 3jw0 s ALA 919 CO 0.23 -0.30 0.17 -1.01 0.00 0.00 0.00 175.76 174.86 3jw0 s HIS 920 N -1.44 2.92 -0.48 0.00 0.09 -1.01 -4.97 115.29 110.41 3jw0 s HIS 920 Ca -0.12 -2.79 0.05 0.00 -0.00 0.00 0.00 55.06 52.20 3jw0 s HIS 920 Cb -0.04 -2.52 0.29 0.00 -0.00 0.00 0.00 32.58 30.31 3jw0 s HIS 920 CO 0.04 -0.83 1.04 0.25 -0.00 0.00 0.00 174.74 175.24 3jw0 n THR 921 N 3.76 1.17 0.14 1.30 -2.24 -1.24 -1.34 114.28 115.84 3jw0 n THR 921 Ca 0.05 0.58 0.04 0.00 -2.27 0.00 0.00 64.05 62.45 3jw0 n THR 921 Cb 0.37 -1.58 0.03 0.00 -2.10 0.00 0.00 70.33 67.05 3jw0 n THR 921 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3jw0 h SER 922 N 0.00 0.00 0.00 3.42 0.02 -1.85 -3.30 113.55 111.84 3jw0 h SER 922 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3jw0 h SER 922 Cb 0.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.89 3jw0 h SER 922 CO 0.00 0.42 -0.06 0.49 -1.14 0.00 0.00 176.83 176.54 3jw0 n PHE 923 N -3.15 0.00 -4.35 3.45 3.72 -0.45 -2.14 117.46 114.54 3jw0 n PHE 923 Ca 0.01 -0.66 -0.36 0.00 -0.05 0.00 0.00 57.45 56.40 3jw0 n PHE 923 Cb 0.71 -0.10 -0.07 0.00 -0.94 0.00 0.00 39.48 39.08 3jw0 n PHE 923 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3jw0 n ASN 924 N -0.88 -0.88 -4.82 4.37 3.02 -0.90 -4.58 115.26 110.59 3jw0 n ASN 924 Ca 0.08 -1.20 -0.24 0.00 -0.03 0.00 0.00 54.58 53.19 3jw0 n ASN 924 Cb 0.52 -1.93 -0.05 0.00 -0.61 0.00 0.00 39.78 37.71 3jw0 n ASN 924 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3jw0 s ARG 925 N -7.18 2.95 -0.12 3.52 3.52 -1.15 -0.92 118.95 119.57 3jw0 s ARG 925 Ca 0.43 -0.93 -0.02 0.00 -0.13 0.00 0.00 55.73 55.08 3jw0 s ARG 925 Cb -0.25 -2.63 0.04 0.00 -1.56 0.00 0.00 34.95 30.55 3jw0 s ARG 925 CO 0.99 0.45 0.01 -1.17 -0.81 0.00 0.00 175.30 174.76 3jw0 s LEU 926 N -3.44 0.88 -0.54 -0.88 2.96 -0.84 -2.39 118.68 114.42 3jw0 s LEU 926 Ca 0.32 -0.38 -0.24 0.00 -0.22 0.00 0.00 54.13 53.60 3jw0 s LEU 926 Cb -0.09 -0.54 0.04 0.00 0.50 0.00 0.00 46.19 46.09 3jw0 s LEU 926 CO 0.24 -0.23 0.94 -1.81 -1.32 0.00 0.00 176.35 174.18 3jw0 s ASP 927 N 1.90 6.35 -0.35 3.68 1.01 0.87 -0.38 116.67 129.75 3jw0 s ASP 927 Ca 0.03 -0.31 -0.08 0.00 0.71 0.00 0.00 52.55 52.90 3jw0 s ASP 927 Cb -0.14 -2.44 0.04 0.00 1.01 0.00 0.00 42.92 41.39 3jw0 s ASP 927 CO -0.07 -1.21 0.14 -0.22 0.21 0.00 0.00 175.17 174.02 3jw0 s LEU 928 N 3.94 4.46 0.33 1.23 2.96 0.66 -1.78 118.68 130.48 3jw0 s LEU 928 Ca 0.31 -1.10 -0.29 0.00 -0.22 0.00 0.00 54.13 52.84 3jw0 s LEU 928 Cb -0.12 -1.92 -0.11 0.00 0.50 0.00 0.00 46.19 44.54 3jw0 s LEU 928 CO 0.20 -0.35 1.44 -2.16 -1.32 0.00 0.00 176.35 174.16 3jw0 s PRO 929 N 1.45 4.21 -0.58 0.98 0.04 -0.83 -2.91 135.00 137.36 3jw0 s PRO 929 Ca -0.00 2.42 -0.26 0.00 0.04 0.00 0.00 61.00 63.20 3jw0 s PRO 929 Cb -0.19 -3.03 -0.07 0.00 0.04 0.00 0.00 34.50 31.25 3jw0 s PRO 929 CO 0.04 -0.43 2.25 -1.25 0.04 0.00 0.00 177.00 177.66 3jw0 s PRO 930 N -1.45 2.18 0.44 0.56 0.04 -1.26 -4.88 135.00 130.63 3jw0 s PRO 930 Ca 0.54 1.01 -0.21 0.00 0.04 0.00 0.00 61.00 62.38 3jw0 s PRO 930 Cb -0.44 -4.59 -0.10 0.00 0.04 0.00 0.00 34.50 29.41 3jw0 s PRO 930 CO 0.54 -3.31 0.98 0.71 0.04 0.00 0.00 177.00 175.96 3jw0 s TYR 931 N 11.70 3.23 0.03 0.56 2.02 -1.26 -4.49 117.35 129.13 3jw0 s TYR 931 Ca 0.88 1.61 0.05 0.00 -0.37 0.00 0.00 57.07 59.23 3jw0 s TYR 931 Cb -0.15 -2.93 -0.24 0.00 -0.40 0.00 0.00 41.96 38.24 3jw0 s TYR 931 CO 0.21 -0.34 0.95 0.93 -1.57 0.00 0.00 175.55 175.72 3jw0 h GLU 932 N 1.88 0.10 -4.96 -0.62 4.39 -1.95 -3.46 114.58 109.96 3jw0 h GLU 932 Ca -0.49 -0.17 -0.32 0.00 0.34 0.00 0.00 59.36 58.72 3jw0 h GLU 932 Cb 1.19 0.06 -0.18 0.00 -0.10 0.00 0.00 28.75 29.72 3jw0 h GLU 932 CO 0.61 0.91 -0.74 0.95 -1.16 0.00 0.00 179.01 179.58 3jw0 s THR 933 N -2.64 0.93 0.10 1.13 -4.23 -1.26 -5.03 115.64 104.64 3jw0 s THR 933 Ca -0.04 -1.58 -0.29 0.00 -1.18 0.00 0.00 61.69 58.59 3jw0 s THR 933 Cb 0.08 -1.29 -0.11 0.00 1.34 0.00 0.00 72.50 72.52 3jw0 s THR 933 CO 0.83 -0.52 1.62 0.15 -0.54 0.00 0.00 174.62 176.16 3jw0 h PHE 934 N 3.67 -0.88 0.00 3.99 3.57 -1.98 0.51 116.94 125.82 3jw0 h PHE 934 Ca -0.37 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.13 3jw0 h PHE 934 Cb 1.19 0.36 -0.00 0.00 2.79 0.00 0.00 35.95 40.28 3jw0 h PHE 934 CO 0.63 -0.45 -0.06 0.93 -2.23 0.00 0.00 178.31 177.14 3jw0 h GLU 935 N -0.62 0.00 -0.33 1.11 3.07 -1.97 0.11 114.58 115.94 3jw0 h GLU 935 Ca 0.00 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.83 3jw0 h GLU 935 Cb 0.60 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.50 3jw0 h GLU 935 CO -0.12 0.06 0.10 0.22 -1.40 0.00 0.00 179.01 177.87 3jw0 h ASP 936 N 0.00 0.49 0.08 1.42 3.58 -1.50 -1.43 116.42 119.06 3jw0 h ASP 936 Ca -0.00 -0.21 -0.00 0.00 0.42 0.00 0.00 57.03 57.23 3jw0 h ASP 936 Cb 0.36 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.29 3jw0 h ASP 936 CO 0.01 0.57 -0.04 0.25 -2.88 0.00 0.00 179.24 177.16 3jw0 h LEU 937 N 0.38 -0.09 -1.27 2.28 6.46 0.21 -3.16 115.31 120.12 3jw0 h LEU 937 Ca 0.11 -0.38 0.20 0.00 -0.12 0.00 0.00 57.88 57.68 3jw0 h LEU 937 Cb 0.26 0.02 -0.09 0.00 -0.73 0.00 0.00 40.66 40.13 3jw0 h LEU 937 CO -0.00 0.35 0.61 -0.09 -0.62 0.00 0.00 178.44 178.69 3jw0 h ARG 938 N -0.55 0.57 -0.18 1.25 2.43 -0.79 -0.14 114.38 116.96 3jw0 h ARG 938 Ca -0.01 -0.03 -0.14 0.00 -0.81 0.00 0.00 59.98 58.99 3jw0 h ARG 938 Cb 0.47 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 3jw0 h ARG 938 CO 0.02 0.38 -0.42 0.93 -1.51 0.00 0.00 179.97 179.36 3jw0 h GLU 939 N 0.58 0.61 0.00 0.20 5.08 -1.29 -1.27 114.58 118.49 3jw0 h GLU 939 Ca 0.52 -0.41 -0.13 0.00 -1.00 0.00 0.00 59.36 58.34 3jw0 h GLU 939 Cb 1.04 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.33 3jw0 h GLU 939 CO -0.27 1.03 -0.64 0.87 -1.00 0.00 0.00 179.01 179.00 3jw0 h LYS 940 N 0.28 0.00 0.14 2.33 1.79 -1.38 -2.79 116.57 116.93 3jw0 h LYS 940 Ca -0.00 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 3jw0 h LYS 940 Cb 1.03 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.68 3jw0 h LYS 940 CO 0.09 0.64 -0.07 1.25 -1.08 0.00 0.00 179.45 180.29 3jw0 h LEU 941 N 0.00 -0.15 -1.93 2.94 5.85 -1.05 -2.57 115.31 118.40 3jw0 h LEU 941 Ca -0.01 -0.14 0.10 0.00 0.84 0.00 0.00 57.88 58.67 3jw0 h LEU 941 Cb 1.17 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 3jw0 h LEU 941 CO 0.08 0.38 0.45 -0.07 -0.34 0.00 0.00 178.44 178.95 3jw0 h LEU 942 N -1.02 0.00 0.01 2.25 3.38 -1.33 -0.71 115.31 117.89 3jw0 h LEU 942 Ca -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3jw0 h LEU 942 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3jw0 h LEU 942 CO 0.03 0.00 -0.00 -0.03 0.09 0.00 0.00 178.44 178.53 3jw0 h MET 943 N 0.00 -0.01 -0.27 1.13 4.05 -1.51 -2.87 114.93 115.44 3jw0 h MET 943 Ca 0.16 0.00 0.05 0.00 -0.28 0.00 0.00 59.70 59.63 3jw0 h MET 943 Cb 1.07 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.83 3jw0 h MET 943 CO -0.00 0.82 0.01 0.00 0.23 0.00 0.00 176.91 177.97 3jw0 h ALA 944 N 0.07 0.25 -0.23 0.39 0.00 -0.79 -0.82 119.26 118.13 3jw0 h ALA 944 Ca -0.00 0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.04 3jw0 h ALA 944 Cb 0.83 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.68 3jw0 h ALA 944 CO 0.00 -0.40 -0.18 0.28 0.00 0.00 0.00 179.25 178.95 3jw0 h VAL 945 N 0.10 0.51 0.10 0.00 2.07 -1.28 -3.14 116.25 114.60 3jw0 h VAL 945 Ca 0.13 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.65 3jw0 h VAL 945 Cb 0.17 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 3jw0 h VAL 945 CO -0.21 0.00 -0.05 -0.33 0.02 0.00 0.00 177.57 177.00 3jw0 h GLU 946 N -0.18 -0.13 -2.82 1.57 4.39 -1.35 -3.34 114.58 112.73 3jw0 h GLU 946 Ca 0.13 0.01 -0.18 0.00 0.34 0.00 0.00 59.36 59.66 3jw0 h GLU 946 Cb 0.38 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 3jw0 h GLU 946 CO -0.34 -0.09 0.86 0.09 -1.16 0.00 0.00 179.01 178.38 3jw0 n ASN 947 N -2.70 3.34 -2.78 1.42 5.03 -0.33 -4.80 115.26 114.43 3jw0 n ASN 947 Ca -0.02 -2.10 -0.14 0.00 0.87 0.00 0.00 54.58 53.19 3jw0 n ASN 947 Cb 0.05 -0.84 -0.04 0.00 -1.02 0.00 0.00 39.78 37.93 3jw0 n ASN 947 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3jw0 n ALA 948 N 3.25 0.31 -1.92 5.41 0.00 -1.19 -4.81 120.51 121.56 3jw0 n ALA 948 Ca 0.29 -1.12 -0.03 0.00 0.00 0.00 0.00 53.44 52.58 3jw0 n ALA 948 Cb 0.36 0.75 -0.00 0.00 0.00 0.00 0.00 19.45 20.55 3jw0 n ALA 948 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3jw0 n GLN 949 N -0.50 -0.25 0.00 0.00 7.27 -1.26 -5.11 117.38 117.53 3jw0 n GLN 949 Ca -0.03 0.22 0.00 0.00 0.07 0.00 0.00 57.00 57.25 3jw0 n GLN 949 Cb 0.33 -3.89 0.00 0.00 2.41 0.00 0.00 30.24 29.09 3jw0 n GLN 949 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54