#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jw0 h PHE 577 N 0.00 1.14 -0.90 4.31 3.57 -2.03 -0.15 116.94 122.89 3jw0 h PHE 577 Ca 0.00 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.54 3jw0 h PHE 577 Cb 0.00 -0.37 -0.05 0.00 2.79 0.00 0.00 35.95 38.33 3jw0 h PHE 577 CO 0.00 0.54 0.60 -0.22 -2.23 0.00 0.00 178.31 176.99 3jw0 h LYS 578 N 1.07 1.17 0.76 1.11 3.64 -2.06 -0.16 116.57 122.10 3jw0 h LYS 578 Ca 0.45 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.72 3jw0 h LYS 578 Cb 0.31 -0.27 0.01 0.00 -0.41 0.00 0.00 32.23 31.87 3jw0 h LYS 578 CO -0.20 0.78 -0.36 1.96 -2.27 0.00 0.00 179.45 179.35 3jw0 h GLN 579 N 1.21 -0.98 -0.24 1.90 4.20 -1.54 -2.95 115.11 116.71 3jw0 h GLN 579 Ca 0.33 0.07 0.06 0.00 0.06 0.00 0.00 58.65 59.17 3jw0 h GLN 579 Cb -0.12 0.22 -0.07 0.00 0.30 0.00 0.00 27.48 27.81 3jw0 h GLN 579 CO -0.08 -0.63 -0.32 0.87 -0.67 0.00 0.00 178.83 178.00 3jw0 h LYS 580 N -1.18 -0.32 -0.86 1.46 1.57 -0.99 -1.87 116.57 114.39 3jw0 h LYS 580 Ca -0.10 0.02 0.17 0.00 -1.87 0.00 0.00 60.65 58.87 3jw0 h LYS 580 Cb 0.80 0.07 -0.06 0.00 0.08 0.00 0.00 32.23 33.12 3jw0 h LYS 580 CO 0.17 -0.21 0.56 -0.92 -0.57 0.00 0.00 179.45 178.48 3jw0 h TYR 581 N -0.33 0.62 -0.26 -1.35 3.20 -1.08 0.50 116.97 118.28 3jw0 h TYR 581 Ca 0.13 0.02 -0.18 0.00 3.14 0.00 0.00 58.73 61.84 3jw0 h TYR 581 Cb 0.53 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.61 3jw0 h TYR 581 CO -0.46 0.20 -0.55 0.22 -1.64 0.00 0.00 178.16 175.93 3jw0 h ASP 582 N 0.50 0.87 0.87 -2.11 3.58 -1.17 -2.16 116.42 116.80 3jw0 h ASP 582 Ca 0.44 -0.47 -0.04 0.00 0.42 0.00 0.00 57.03 57.38 3jw0 h ASP 582 Cb 0.94 -0.25 0.01 0.00 1.72 0.00 0.00 39.33 41.75 3jw0 h ASP 582 CO -0.17 1.24 -0.42 0.22 -2.88 0.00 0.00 179.24 177.23 3jw0 h TYR 583 N 0.60 -1.08 -0.98 0.28 3.20 -0.65 -2.53 116.97 115.81 3jw0 h TYR 583 Ca 0.01 -0.03 0.18 0.00 3.14 0.00 0.00 58.73 62.04 3jw0 h TYR 583 Cb 1.14 0.36 -0.18 0.00 1.54 0.00 0.00 36.73 39.59 3jw0 h TYR 583 CO 0.06 -0.67 -0.30 0.34 -1.64 0.00 0.00 178.16 175.95 3jw0 n PHE 584 N -5.30 0.23 -0.19 -3.82 7.35 0.01 0.44 117.46 116.17 3jw0 n PHE 584 Ca -0.14 1.20 -0.04 0.00 -0.76 0.00 0.00 57.45 57.71 3jw0 n PHE 584 Cb 0.46 -0.99 0.15 0.00 0.35 0.00 0.00 39.48 39.44 3jw0 n PHE 584 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3jw0 h ARG 585 N 0.00 0.96 0.10 -4.13 2.47 -1.30 -1.50 114.38 110.99 3jw0 h ARG 585 Ca 0.42 -0.19 -0.28 0.00 -1.26 0.00 0.00 59.98 58.67 3jw0 h ARG 585 Cb 0.67 -0.15 0.02 0.00 -1.65 0.00 0.00 29.97 28.86 3jw0 h ARG 585 CO -1.00 0.83 -1.19 0.87 0.56 0.00 0.00 179.97 180.03 3jw0 h LYS 586 N 0.93 0.49 -0.44 0.04 1.57 -0.54 -3.24 116.57 115.38 3jw0 h LYS 586 Ca 0.21 -0.67 0.06 0.00 -1.87 0.00 0.00 60.65 58.38 3jw0 h LYS 586 Cb 0.27 0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 3jw0 h LYS 586 CO -0.01 1.29 0.30 -0.22 -0.57 0.00 0.00 179.45 180.24 3jw0 h LYS 587 N 0.21 0.32 -6.93 3.15 3.11 0.25 -3.41 116.57 113.28 3jw0 h LYS 587 Ca -0.16 -0.02 -0.53 0.00 -2.81 0.00 0.00 60.65 57.14 3jw0 h LYS 587 Cb 1.87 -0.07 0.08 0.00 -1.00 0.00 0.00 32.23 33.11 3jw0 h LYS 587 CO 0.22 0.21 0.63 -0.51 -2.81 0.00 0.00 179.45 177.19 3jw0 s LEU 588 N -9.27 4.27 -0.02 5.20 1.43 -0.59 -5.01 118.68 114.70 3jw0 s LEU 588 Ca -0.07 2.69 0.06 0.00 -1.03 0.00 0.00 54.13 55.77 3jw0 s LEU 588 Cb 0.19 -3.83 -0.01 0.00 0.03 0.00 0.00 46.19 42.56 3jw0 s LEU 588 CO 0.73 -0.78 -0.19 -0.54 0.23 0.00 0.00 176.35 175.80 3jw0 s LYS 589 N -2.13 1.64 -0.27 1.70 1.02 -1.26 -4.99 119.74 115.44 3jw0 s LYS 589 Ca 0.55 -0.68 -0.06 0.00 0.02 0.00 0.00 55.97 55.80 3jw0 s LYS 589 Cb -0.39 -1.54 0.01 0.00 -0.52 0.00 0.00 37.83 35.39 3jw0 s LYS 589 CO 0.51 0.38 0.04 0.21 -0.92 0.00 0.00 175.35 175.56 3jw0 s LYS 590 N -0.34 3.12 1.11 1.68 2.20 -1.26 -5.10 119.74 121.14 3jw0 s LYS 590 Ca 0.05 -0.82 -0.18 0.00 -0.36 0.00 0.00 55.97 54.65 3jw0 s LYS 590 Cb -0.08 -3.26 0.10 0.00 -1.51 0.00 0.00 37.83 33.08 3jw0 s LYS 590 CO 0.00 -0.39 0.01 -0.35 -0.36 0.00 0.00 175.35 174.27 3jw0 n PRO 591 N 4.83 -1.49 -0.07 4.03 -0.04 -1.26 -5.00 135.00 136.00 3jw0 n PRO 591 Ca -0.15 -0.42 -0.05 0.00 -0.04 0.00 0.00 63.50 62.83 3jw0 n PRO 591 Cb 0.48 -1.70 -0.12 0.00 -0.04 0.00 0.00 33.50 32.12 3jw0 n PRO 591 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3jw0 n ALA 592 N -4.36 1.76 1.32 0.55 0.00 -1.26 -4.47 120.51 114.05 3jw0 n ALA 592 Ca 0.01 -0.94 0.00 0.00 0.00 0.00 0.00 53.44 52.51 3jw0 n ALA 592 Cb 0.62 -0.15 0.00 0.00 0.00 0.00 0.00 19.45 19.91 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 -2.51 0.18 -4.90 0.00 5.75 -1.26 -4.78 116.55 109.03 3jw0 n ASP 593 Ca -0.22 -1.50 -0.33 0.00 -0.01 0.00 0.00 54.79 52.73 3jw0 n ASP 593 Cb 0.93 -0.09 -0.05 0.00 -1.03 0.00 0.00 41.12 40.88 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 -1.76 5.28 1.08 2.12 -4.36 -1.26 -5.05 121.20 117.25 3jw0 s ILE 594 Ca 0.00 -0.02 -0.17 0.00 -0.26 0.00 0.00 60.65 60.20 3jw0 s ILE 594 Cb 0.00 -3.60 0.11 0.00 1.25 0.00 0.00 42.46 40.21 3jw0 s ILE 594 CO 0.00 0.20 0.21 -2.65 0.24 0.00 0.00 174.94 172.94 3jw0 n PRO 595 N 0.55 -1.36 0.22 0.37 -0.02 -1.26 -4.88 135.00 128.62 3jw0 n PRO 595 Ca -0.07 -0.37 0.10 0.00 -2.02 0.00 0.00 63.50 61.14 3jw0 n PRO 595 Cb 0.52 -1.79 0.44 0.00 -0.02 0.00 0.00 33.50 32.65 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 -2.01 0.00 -5.12 2.55 -0.26 -1.96 -3.46 115.58 105.32 3jw0 h ASN 596 Ca -0.52 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.17 3jw0 h ASN 596 Cb 1.34 0.00 -0.12 0.00 -1.06 0.00 0.00 38.32 38.48 3jw0 h ASN 596 CO 0.38 0.24 -0.09 -0.13 -1.06 0.00 0.00 177.43 176.77 3jw0 s ARG 597 N -3.63 1.21 -0.32 0.81 0.52 -1.26 -3.88 118.95 112.40 3jw0 s ARG 597 Ca 0.01 -0.89 -0.03 0.00 -0.52 0.00 0.00 55.73 54.30 3jw0 s ARG 597 Cb 0.10 0.47 0.06 0.00 0.52 0.00 0.00 34.95 36.09 3jw0 s ARG 597 CO 0.64 -0.49 0.05 0.12 0.02 0.00 0.00 175.30 175.65 3jw0 s PHE 598 N -3.87 3.31 0.29 -0.53 5.36 -0.32 -4.89 117.98 117.33 3jw0 s PHE 598 Ca 0.09 -1.84 -0.18 0.00 -0.96 0.00 0.00 56.93 54.03 3jw0 s PHE 598 Cb 0.01 -2.31 -0.09 0.00 -0.34 0.00 0.00 43.02 40.29 3jw0 s PHE 598 CO -0.05 -0.81 0.77 -2.00 -1.46 0.00 0.00 175.22 171.66 3jw0 s GLU 599 N 1.27 4.16 -0.26 10.12 2.12 -1.26 -0.99 118.70 133.86 3jw0 s GLU 599 Ca -0.02 0.84 -0.03 0.00 0.36 0.00 0.00 54.97 56.12 3jw0 s GLU 599 Cb -0.20 -2.61 0.11 0.00 0.26 0.00 0.00 34.13 31.69 3jw0 s GLU 599 CO -0.01 0.24 0.22 -1.64 -0.54 0.00 0.00 175.26 173.53 3jw0 s MET 600 N -2.54 0.23 -0.24 4.30 -1.94 0.02 -4.94 119.30 114.19 3jw0 s MET 600 Ca 0.50 -0.14 -0.10 0.00 -1.71 0.00 0.00 55.69 54.25 3jw0 s MET 600 Cb -0.13 -1.02 -0.05 0.00 2.01 0.00 0.00 34.83 35.64 3jw0 s MET 600 CO 0.19 -0.90 0.14 0.15 -0.01 0.00 0.00 175.02 174.59 3jw0 s LYS 601 N 2.27 3.96 -0.10 2.03 1.02 -1.26 -1.07 119.74 126.60 3jw0 s LYS 601 Ca 0.08 -0.32 -0.17 0.00 0.02 0.00 0.00 55.97 55.58 3jw0 s LYS 601 Cb -0.15 -3.50 0.04 0.00 -0.52 0.00 0.00 37.83 33.70 3jw0 s LYS 601 CO -0.26 -0.01 0.43 -0.48 -0.92 0.00 0.00 175.35 174.10 3jw0 s LEU 602 N 1.24 0.37 0.04 3.17 0.05 -0.66 -4.94 118.68 117.94 3jw0 s LEU 602 Ca 0.07 0.61 -0.30 0.00 0.05 0.00 0.00 54.13 54.55 3jw0 s LEU 602 Cb -0.14 1.56 -0.05 0.00 -2.05 0.00 0.00 46.19 45.51 3jw0 s LEU 602 CO 0.06 -0.30 1.23 -1.00 -0.55 0.00 0.00 176.35 175.78 3jw0 s HIS 603 N -0.44 3.32 0.50 3.48 3.76 -1.26 -2.39 115.29 122.25 3jw0 s HIS 603 Ca -0.06 1.21 0.34 0.00 -0.15 0.00 0.00 55.06 56.40 3jw0 s HIS 603 Cb -0.03 -3.46 1.47 0.00 1.11 0.00 0.00 32.58 31.67 3jw0 s HIS 603 CO 0.03 -1.48 1.74 0.00 -0.85 0.00 0.00 174.74 174.18 3jw0 h ARG 604 N 7.04 0.09 -0.65 1.40 2.47 -1.96 -1.90 114.38 120.86 3jw0 h ARG 604 Ca -0.40 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.32 3jw0 h ARG 604 Cb 1.20 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.50 3jw0 h ARG 604 CO 0.84 0.06 0.00 0.27 0.56 0.00 0.00 179.97 181.70 3jw0 n ASN 605 N -4.30 4.79 -1.13 7.04 6.94 -1.26 -4.05 115.26 123.29 3jw0 n ASN 605 Ca 0.30 -2.50 -0.02 0.00 -0.02 0.00 0.00 54.58 52.33 3jw0 n ASN 605 Cb 1.31 -0.59 -0.03 0.00 -2.36 0.00 0.00 39.78 38.11 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 1.03 -0.18 -0.19 0.53 4.05 -0.74 -4.96 115.26 114.80 3jw0 n ASN 606 Ca 0.25 -1.94 0.14 0.00 0.45 0.00 0.00 54.58 53.49 3jw0 n ASN 606 Cb 0.92 0.05 0.46 0.00 1.23 0.00 0.00 39.78 42.44 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 5.80 0.81 0.45 -1.44 2.10 -1.64 -2.35 117.51 121.25 3jw0 h ILE 607 Ca -0.39 -0.17 -0.02 0.00 1.08 0.00 0.00 64.86 65.36 3jw0 h ILE 607 Cb 1.56 0.27 0.00 0.00 -1.09 0.00 0.00 36.82 37.56 3jw0 h ILE 607 CO -0.12 0.09 -0.22 0.15 -1.08 0.00 0.00 178.15 176.98 3jw0 h PHE 608 N 0.50 -0.56 -0.48 2.19 3.57 -1.93 -1.58 116.94 118.66 3jw0 h PHE 608 Ca 0.39 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.93 3jw0 h PHE 608 Cb 0.79 0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.69 3jw0 h PHE 608 CO -0.00 -0.35 0.32 0.93 -2.23 0.00 0.00 178.31 176.98 3jw0 h GLU 609 N -0.79 0.43 -0.06 1.11 4.39 -1.98 0.21 114.58 117.89 3jw0 h GLU 609 Ca -0.06 -0.03 -0.20 0.00 0.34 0.00 0.00 59.36 59.41 3jw0 h GLU 609 Cb 0.46 -0.10 0.01 0.00 -0.10 0.00 0.00 28.75 29.03 3jw0 h GLU 609 CO 0.10 0.28 -0.74 0.93 -1.16 0.00 0.00 179.01 178.43 3jw0 h GLU 610 N 0.44 0.61 -0.49 2.33 5.08 -1.47 -1.63 114.58 119.46 3jw0 h GLU 610 Ca 0.20 -0.58 -0.01 0.00 -1.00 0.00 0.00 59.36 57.98 3jw0 h GLU 610 Cb 0.25 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 3jw0 h GLU 610 CO -0.05 1.19 0.28 0.66 -1.00 0.00 0.00 179.01 180.09 3jw0 h SER 611 N 0.25 0.61 0.08 1.42 4.64 -0.87 -0.32 113.55 119.36 3jw0 h SER 611 Ca -0.07 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 3jw0 h SER 611 Cb 1.40 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 63.32 3jw0 h SER 611 CO 0.15 0.51 -0.20 0.22 -0.87 0.00 0.00 176.83 176.64 3jw0 h TYR 612 N 0.66 -0.58 -0.72 4.77 3.20 -0.92 -0.84 116.97 122.53 3jw0 h TYR 612 Ca 0.17 0.01 0.16 0.00 3.14 0.00 0.00 58.73 62.22 3jw0 h TYR 612 Cb 0.03 0.24 -0.12 0.00 1.54 0.00 0.00 36.73 38.42 3jw0 h TYR 612 CO -0.02 -0.24 0.05 0.00 -1.64 0.00 0.00 178.16 176.31 3jw0 h ARG 613 N -0.32 0.14 0.53 1.82 3.08 -1.05 0.21 114.38 118.80 3jw0 h ARG 613 Ca -0.01 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 3jw0 h ARG 613 Cb 0.30 -0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.33 3jw0 h ARG 613 CO -0.09 0.09 -0.26 -0.09 -1.07 0.00 0.00 179.97 178.56 3jw0 h ARG 614 N 0.14 -0.69 -0.95 0.04 9.65 -0.75 -2.54 114.38 119.28 3jw0 h ARG 614 Ca 0.39 0.05 0.12 0.00 -1.10 0.00 0.00 59.98 59.44 3jw0 h ARG 614 Cb 0.68 0.16 -0.08 0.00 -1.39 0.00 0.00 29.97 29.34 3jw0 h ARG 614 CO -0.59 -0.46 0.61 0.82 2.80 0.00 0.00 179.97 183.14 3jw0 h ILE 615 N -0.74 0.92 -0.07 1.20 1.08 -0.94 -2.93 117.51 116.03 3jw0 h ILE 615 Ca -0.07 -0.31 -0.15 0.00 -0.39 0.00 0.00 64.86 63.93 3jw0 h ILE 615 Cb 0.55 -0.07 0.01 0.00 -3.07 0.00 0.00 36.82 34.24 3jw0 h ILE 615 CO 0.12 0.17 -0.55 0.24 -0.69 0.00 0.00 178.15 177.43 3jw0 h MET 616 N 0.92 0.50 0.00 2.37 2.86 -1.01 -3.20 114.93 117.36 3jw0 h MET 616 Ca 0.46 -0.44 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 3jw0 h MET 616 Cb 0.50 0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.26 3jw0 h MET 616 CO -0.23 1.08 0.00 -1.13 1.06 0.00 0.00 176.91 177.69 3jw0 n SER 617 N -4.21 0.00 -4.77 1.22 3.41 -0.96 -4.81 113.62 103.50 3jw0 n SER 617 Ca -0.09 -0.30 -0.41 0.00 -0.26 0.00 0.00 58.87 57.81 3jw0 n SER 617 Cb 0.63 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.58 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 -0.95 1.79 0.00 -3.33 0.24 -1.20 -4.95 118.33 109.92 3jw0 n VAL 618 Ca 0.06 -0.45 0.00 0.00 -2.04 0.00 0.00 64.34 61.91 3jw0 n VAL 618 Cb 0.03 -1.98 0.00 0.00 -1.47 0.00 0.00 33.84 30.41 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 0.81 0.00 -3.28 7.34 4.01 -1.26 -4.68 118.16 121.10 3jw0 n LYS 619 Ca 0.03 0.39 -0.39 0.00 -0.51 0.00 0.00 58.31 57.83 3jw0 n LYS 619 Cb 0.38 -1.06 -0.08 0.00 -0.51 0.00 0.00 35.03 33.77 3jw0 n LYS 619 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 3jw0 s ARG 620 N -1.38 4.08 0.48 1.97 0.52 -1.26 -4.96 118.95 118.40 3jw0 s ARG 620 Ca 0.00 0.26 0.33 0.00 -0.52 0.00 0.00 55.73 55.80 3jw0 s ARG 620 Cb 0.00 -3.63 1.67 0.00 0.52 0.00 0.00 34.95 33.51 3jw0 s ARG 620 CO 0.00 -0.29 1.99 -1.00 0.02 0.00 0.00 175.30 176.03 3jw0 h PRO 621 N 7.93 0.00 0.00 3.54 0.13 -1.95 -3.11 132.00 138.54 3jw0 h PRO 621 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 3jw0 h PRO 621 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3jw0 h PRO 621 CO 0.70 0.00 0.00 -0.44 -0.23 0.00 0.00 178.00 178.03 3jw0 h ASP 622 N 0.00 0.00 0.09 1.44 5.19 -1.92 -2.65 116.42 118.56 3jw0 h ASP 622 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3jw0 h ASP 622 Cb 0.12 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.63 3jw0 h ASP 622 CO 0.00 0.00 0.00 1.33 -3.12 0.00 0.00 179.24 177.45 3jw0 n VAL 623 N -3.04 0.25 0.14 -1.35 0.24 -1.18 -1.57 118.33 111.82 3jw0 n VAL 623 Ca 0.01 0.06 0.06 0.00 -2.04 0.00 0.00 64.34 62.44 3jw0 n VAL 623 Cb 0.31 -0.85 0.04 0.00 -1.47 0.00 0.00 33.84 31.87 3jw0 n VAL 623 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 3jw0 h LEU 624 N 0.00 0.00 0.00 1.34 3.38 -1.72 -3.23 115.31 115.08 3jw0 h LEU 624 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3jw0 h LEU 624 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3jw0 h LEU 624 CO 0.00 0.28 0.00 0.29 0.09 0.00 0.00 178.44 179.10 3jw0 n LYS 625 N -3.02 0.17 -1.54 1.13 5.02 -0.61 -4.79 118.16 114.53 3jw0 n LYS 625 Ca 0.00 0.10 -0.32 0.00 -2.02 0.00 0.00 58.31 56.07 3jw0 n LYS 625 Cb 0.66 -1.50 0.06 0.00 -0.02 0.00 0.00 35.03 34.23 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 -2.76 2.44 0.16 7.82 0.00 -1.22 -4.93 121.76 123.27 3jw0 s ALA 626 Ca 0.16 0.34 -0.34 0.00 0.00 0.00 0.00 51.96 52.12 3jw0 s ALA 626 Cb 0.14 -3.27 -0.14 0.00 0.00 0.00 0.00 23.12 19.86 3jw0 s ALA 626 CO 0.36 -1.43 1.59 -2.13 0.00 0.00 0.00 175.76 174.14 3jw0 n ARG 627 N -2.97 2.18 -2.09 0.00 0.63 -1.25 -4.51 116.66 108.64 3jw0 n ARG 627 Ca 0.09 0.79 -0.41 0.00 -0.92 0.00 0.00 57.85 57.40 3jw0 n ARG 627 Cb 0.53 -2.56 -0.02 0.00 0.45 0.00 0.00 32.46 30.86 3jw0 n ARG 627 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3jw0 s LEU 628 N 0.98 4.41 -0.35 6.15 1.43 -1.26 -1.18 118.68 128.86 3jw0 s LEU 628 Ca 0.79 2.64 0.00 0.00 -1.03 0.00 0.00 54.13 56.53 3jw0 s LEU 628 Cb -0.67 -3.64 0.11 0.00 0.03 0.00 0.00 46.19 42.03 3jw0 s LEU 628 CO 0.38 -0.59 0.14 0.86 0.23 0.00 0.00 176.35 177.37 3jw0 s TRP 629 N -0.59 1.71 -0.15 0.29 -0.00 -0.16 -4.83 118.94 115.20 3jw0 s TRP 629 Ca 0.53 -1.91 -0.18 0.00 -0.00 0.00 0.00 56.10 54.54 3jw0 s TRP 629 Cb -0.40 -1.71 -0.04 0.00 -0.00 0.00 0.00 33.47 31.33 3jw0 s TRP 629 CO 0.48 -0.85 0.47 0.42 -0.00 0.00 0.00 176.95 177.47 3jw0 s ILE 630 N 1.24 5.18 0.00 5.86 1.09 -1.26 -0.80 121.20 132.51 3jw0 s ILE 630 Ca 0.12 0.90 0.05 0.00 -1.10 0.00 0.00 60.65 60.62 3jw0 s ILE 630 Cb -0.20 -3.80 -0.01 0.00 -1.06 0.00 0.00 42.46 37.39 3jw0 s ILE 630 CO -0.16 0.28 -0.14 -1.61 -0.10 0.00 0.00 174.94 173.20 3jw0 s GLU 631 N 0.96 1.10 -0.12 2.79 2.02 -0.23 -1.29 118.70 123.93 3jw0 s GLU 631 Ca 0.24 -0.57 0.00 0.00 0.02 0.00 0.00 54.97 54.66 3jw0 s GLU 631 Cb -0.15 -1.08 -0.01 0.00 0.10 0.00 0.00 34.13 32.99 3jw0 s GLU 631 CO 0.09 0.29 -0.14 -0.06 0.02 0.00 0.00 175.26 175.47 3jw0 s PHE 632 N -0.45 2.79 -0.23 1.61 0.40 -0.48 -1.66 117.98 119.95 3jw0 s PHE 632 Ca 0.05 -0.64 -0.10 0.00 -0.60 0.00 0.00 56.93 55.64 3jw0 s PHE 632 Cb -0.06 -1.83 -0.05 0.00 0.51 0.00 0.00 43.02 41.60 3jw0 s PHE 632 CO -0.00 -0.20 0.14 -1.21 0.70 0.00 0.00 175.22 174.65 3jw0 s GLU 633 N 0.30 4.03 0.26 0.44 0.41 -1.01 -0.91 118.70 122.22 3jw0 s GLU 633 Ca -0.10 -0.30 -0.29 0.00 -0.41 0.00 0.00 54.97 53.87 3jw0 s GLU 633 Cb -0.16 -3.48 -0.09 0.00 -1.78 0.00 0.00 34.13 28.62 3jw0 s GLU 633 CO 0.06 0.07 1.00 0.45 -0.49 0.00 0.00 175.26 176.34 3jw0 s SER 634 N 1.01 7.48 0.03 -0.19 0.15 -0.00 -4.12 113.70 118.06 3jw0 s SER 634 Ca 0.07 2.05 -0.06 0.00 0.70 0.00 0.00 55.95 58.71 3jw0 s SER 634 Cb -0.13 -2.61 -0.02 0.00 -1.71 0.00 0.00 66.02 61.55 3jw0 s SER 634 CO 0.04 0.03 1.10 -0.33 1.20 0.00 0.00 173.24 175.28 3jw0 h GLU 635 N 3.93 -0.03 -0.66 5.44 5.08 -1.98 -0.16 114.58 126.20 3jw0 h GLU 635 Ca -0.46 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 57.86 3jw0 h GLU 635 Cb 1.20 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.43 3jw0 h GLU 635 CO 0.67 -0.02 0.06 1.63 -1.00 0.00 0.00 179.01 180.35 3jw0 n LYS 636 N -3.32 4.32 0.00 2.33 5.02 -1.26 -4.98 118.16 120.26 3jw0 n LYS 636 Ca -0.00 -2.85 0.00 0.00 -2.02 0.00 0.00 58.31 53.44 3jw0 n LYS 636 Cb 0.06 -2.19 0.00 0.00 -0.02 0.00 0.00 35.03 32.88 3jw0 n LYS 636 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3jw0 n GLY 637 N 0.42 5.38 3.91 0.72 0.00 -0.07 -5.16 105.19 110.38 3jw0 n GLY 637 Ca 0.28 -1.27 -0.28 0.00 0.00 0.00 0.00 46.02 44.75 3jw0 n GLY 637 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3jw0 s LEU 638 N 0.00 2.94 0.02 0.99 2.34 -1.26 -4.30 118.68 119.40 3jw0 s LEU 638 Ca 0.00 0.75 -0.02 0.00 0.06 0.00 0.00 54.13 54.92 3jw0 s LEU 638 Cb 0.00 -3.48 -0.04 0.00 -0.56 0.00 0.00 46.19 42.11 3jw0 s LEU 638 CO 0.00 -1.39 0.20 1.51 -1.06 0.00 0.00 176.35 175.61 3jw0 s ASP 639 N -4.41 6.38 -0.10 1.48 -4.77 -1.26 -0.82 116.67 113.16 3jw0 s ASP 639 Ca 0.58 0.35 -0.26 0.00 -3.30 0.00 0.00 52.55 49.91 3jw0 s ASP 639 Cb -0.11 -2.00 0.06 0.00 -1.09 0.00 0.00 42.92 39.78 3jw0 s ASP 639 CO 0.47 0.23 0.62 -0.72 0.70 0.00 0.00 175.17 176.47 3jw0 s TYR 640 N -1.39 -0.61 0.31 2.11 -0.85 -0.09 -4.94 117.35 111.90 3jw0 s TYR 640 Ca 0.30 1.19 -0.27 0.00 -0.52 0.00 0.00 57.07 57.77 3jw0 s TYR 640 Cb -0.13 0.31 -0.14 0.00 0.38 0.00 0.00 41.96 42.39 3jw0 s TYR 640 CO 0.21 -0.50 0.95 0.41 -1.52 0.00 0.00 175.55 175.11 3jw0 n GLY 641 N 1.52 -0.41 3.32 5.49 0.00 -1.26 -1.39 105.19 112.46 3jw0 n GLY 641 Ca -0.18 0.29 -0.18 0.00 0.00 0.00 0.00 46.02 45.94 3jw0 n GLY 641 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3jw0 s GLY 642 N -0.63 2.06 0.05 -0.02 0.00 -0.41 -4.79 107.32 103.57 3jw0 s GLY 642 Ca 0.60 -1.78 0.05 0.00 0.00 0.00 0.00 44.72 43.59 3jw0 s GLY 642 CO 0.59 -1.56 -0.10 -1.34 0.00 0.00 0.00 173.10 170.69 3jw0 s VAL 643 N -3.62 3.37 0.24 1.40 -7.23 -1.26 -4.43 120.40 108.87 3jw0 s VAL 643 Ca 0.36 -1.03 -0.04 0.00 -1.81 0.00 0.00 61.98 59.46 3jw0 s VAL 643 Cb 0.05 -2.49 0.21 0.00 0.56 0.00 0.00 36.38 34.70 3jw0 s VAL 643 CO 0.19 0.29 1.79 0.00 -0.31 0.00 0.00 175.10 177.05 3jw0 h ALA 644 N 4.21 1.15 -0.62 1.32 0.00 -1.93 -1.88 119.26 121.51 3jw0 h ALA 644 Ca -0.48 0.05 0.12 0.00 0.00 0.00 0.00 54.91 54.60 3jw0 h ALA 644 Cb 1.16 -0.08 -0.12 0.00 0.00 0.00 0.00 17.79 18.75 3jw0 h ALA 644 CO 0.52 0.02 -0.16 -0.09 0.00 0.00 0.00 179.25 179.54 3jw0 h ARG 645 N 0.70 -0.00 -0.16 0.00 9.65 -1.99 -2.54 114.38 120.03 3jw0 h ARG 645 Ca 0.40 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 59.25 3jw0 h ARG 645 Cb 0.43 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.01 3jw0 h ARG 645 CO -0.28 -0.00 0.00 1.49 2.80 0.00 0.00 179.97 183.98 3jw0 h GLU 646 N -0.00 0.28 -0.78 0.20 4.57 -1.77 -2.90 114.58 114.18 3jw0 h GLU 646 Ca 0.30 -0.09 0.17 0.00 -1.18 0.00 0.00 59.36 58.56 3jw0 h GLU 646 Cb 0.46 -0.03 -0.11 0.00 -0.16 0.00 0.00 28.75 28.91 3jw0 h GLU 646 CO -0.64 0.50 0.26 2.35 -1.18 0.00 0.00 179.01 180.30 3jw0 h TRP 647 N 0.03 0.42 -0.01 0.92 7.01 -1.12 0.12 115.95 123.33 3jw0 h TRP 647 Ca 0.05 0.04 -0.00 0.00 2.11 0.00 0.00 58.89 61.09 3jw0 h TRP 647 Cb 0.38 -0.07 -0.00 0.00 -2.10 0.00 0.00 29.16 27.37 3jw0 h TRP 647 CO 0.03 -0.04 0.00 0.74 -2.79 0.00 0.00 178.44 176.39 3jw0 h PHE 648 N 0.35 0.01 -0.07 2.65 0.04 -1.47 0.42 116.94 118.87 3jw0 h PHE 648 Ca 0.45 -0.00 0.04 0.00 2.80 0.00 0.00 57.97 61.26 3jw0 h PHE 648 Cb 0.77 -0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.86 3jw0 h PHE 648 CO -0.21 0.14 -0.29 0.35 -0.60 0.00 0.00 178.31 177.71 3jw0 h PHE 649 N -0.12 -0.78 -0.51 -0.55 3.57 -0.90 0.46 116.94 118.11 3jw0 h PHE 649 Ca 0.00 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.42 3jw0 h PHE 649 Cb 0.13 0.35 -0.02 0.00 2.79 0.00 0.00 35.95 39.21 3jw0 h PHE 649 CO -0.03 -0.37 -0.13 -0.07 -2.23 0.00 0.00 178.31 175.48 3jw0 h LEU 650 N -0.39 1.00 -1.19 0.59 4.07 -0.76 -2.81 115.31 115.82 3jw0 h LEU 650 Ca 0.08 -0.36 -0.08 0.00 0.08 0.00 0.00 57.88 57.60 3jw0 h LEU 650 Cb 0.51 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 41.97 3jw0 h LEU 650 CO -0.29 1.13 -0.40 0.25 -1.08 0.00 0.00 178.44 178.05 3jw0 h LEU 651 N 0.86 0.01 -0.27 1.67 5.85 0.22 -3.08 115.31 120.57 3jw0 h LEU 651 Ca 0.13 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.78 3jw0 h LEU 651 Cb 0.70 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 3jw0 h LEU 651 CO 0.05 0.41 -0.08 0.28 -0.34 0.00 0.00 178.44 178.76 3jw0 h SER 652 N 0.01 0.54 -0.02 1.25 0.02 0.06 -2.88 113.55 112.54 3jw0 h SER 652 Ca -0.00 -0.37 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 3jw0 h SER 652 Cb 0.71 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 63.10 3jw0 h SER 652 CO 0.05 0.79 0.10 0.11 -1.14 0.00 0.00 176.83 176.74 3jw0 h LYS 653 N 0.29 0.00 0.00 3.45 1.57 -1.40 -2.18 116.57 118.29 3jw0 h LYS 653 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3jw0 h LYS 653 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 3jw0 h LYS 653 CO 0.03 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.30 3jw0 n GLU 654 N -3.14 0.00 -0.30 3.15 -0.58 -1.10 -3.09 120.64 115.57 3jw0 n GLU 654 Ca -0.02 0.36 0.01 0.00 -0.42 0.00 0.00 57.16 57.08 3jw0 n GLU 654 Cb 0.17 -0.84 0.05 0.00 -0.57 0.00 0.00 31.44 30.25 3jw0 n GLU 654 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 3jw0 n MET 655 N -1.85 -0.15 -0.00 3.49 2.81 -1.11 0.12 117.12 120.42 3jw0 n MET 655 Ca 0.00 1.23 0.15 0.00 -1.81 0.00 0.00 57.70 57.27 3jw0 n MET 655 Cb 0.00 -1.83 0.77 0.00 -0.71 0.00 0.00 33.22 31.45 3jw0 n MET 655 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 3jw0 n PHE 656 N -5.21 0.00 -2.30 2.03 3.72 -0.83 -4.43 117.46 110.44 3jw0 n PHE 656 Ca 0.09 -0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.07 3jw0 n PHE 656 Cb 0.34 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.86 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 -1.98 6.82 0.03 4.37 3.84 0.33 -4.85 114.94 123.50 3jw0 s ASN 657 Ca 0.44 1.79 0.02 0.00 0.21 0.00 0.00 52.86 55.32 3jw0 s ASN 657 Cb 0.21 -2.54 0.08 0.00 -0.55 0.00 0.00 41.25 38.46 3jw0 s ASN 657 CO 0.35 -0.85 0.98 -2.65 -2.79 0.00 0.00 177.10 172.13 3jw0 n PRO 658 N 6.85 0.01 0.28 0.43 -0.02 -1.26 -2.27 135.00 139.02 3jw0 n PRO 658 Ca 0.15 0.44 0.18 0.00 -2.02 0.00 0.00 63.50 62.25 3jw0 n PRO 658 Cb 0.44 -1.61 0.74 0.00 -0.02 0.00 0.00 33.50 33.06 3jw0 n PRO 658 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 3jw0 h TYR 659 N 0.00 0.00 -0.00 6.00 3.20 -1.89 -2.53 116.97 121.75 3jw0 h TYR 659 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3jw0 h TYR 659 Cb 0.16 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.43 3jw0 h TYR 659 CO 0.00 0.00 -0.21 0.66 -1.64 0.00 0.00 178.16 176.97 3jw0 n TYR 660 N -3.03 0.00 -1.01 -3.82 4.01 -0.96 -4.93 117.16 107.41 3jw0 n TYR 660 Ca 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.74 3jw0 n TYR 660 Cb 0.27 -0.19 -0.00 0.00 -0.31 0.00 0.00 39.34 39.10 3jw0 n TYR 660 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3jw0 n GLY 661 N 1.35 0.35 0.11 2.72 0.00 -0.95 -4.84 105.19 103.93 3jw0 n GLY 661 Ca 0.12 -0.04 -0.15 0.00 0.00 0.00 0.00 46.02 45.94 3jw0 n GLY 661 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3jw0 n LEU 662 N -0.06 1.81 -4.23 0.99 4.77 -1.26 -4.14 117.00 114.89 3jw0 n LEU 662 Ca -0.01 0.29 -0.13 0.00 -0.03 0.00 0.00 56.01 56.13 3jw0 n LEU 662 Cb 0.20 -0.51 -0.10 0.00 -2.33 0.00 0.00 43.42 40.68 3jw0 n LEU 662 CO 0.01 0.65 -0.33 -0.36 -1.33 0.00 0.00 177.39 176.02 3jw0 s PHE 663 N -2.57 1.16 0.19 -1.77 0.40 -1.26 -2.64 117.98 111.49 3jw0 s PHE 663 Ca -0.15 -1.03 -0.06 0.00 -0.60 0.00 0.00 56.93 55.09 3jw0 s PHE 663 Cb 0.07 -0.66 -0.02 0.00 0.51 0.00 0.00 43.02 42.92 3jw0 s PHE 663 CO 0.79 -0.23 0.24 -1.83 0.70 0.00 0.00 175.22 174.89 3jw0 s GLU 664 N -3.92 1.21 0.10 0.44 -1.05 -0.87 -4.18 118.70 110.43 3jw0 s GLU 664 Ca 0.23 -1.37 -0.15 0.00 -0.15 0.00 0.00 54.97 53.52 3jw0 s GLU 664 Cb 0.06 0.34 -0.07 0.00 -0.44 0.00 0.00 34.13 34.03 3jw0 s GLU 664 CO 0.03 -0.43 0.52 0.71 0.95 0.00 0.00 175.26 177.05 3jw0 s TYR 665 N -4.05 3.68 0.19 4.83 2.02 -1.26 -1.66 117.35 121.09 3jw0 s TYR 665 Ca 0.26 1.09 -0.13 0.00 -0.37 0.00 0.00 57.07 57.92 3jw0 s TYR 665 Cb 0.04 -2.38 0.11 0.00 -0.40 0.00 0.00 41.96 39.34 3jw0 s TYR 665 CO 0.06 0.51 1.84 0.66 -1.57 0.00 0.00 175.55 177.05 3jw0 h SER 666 N 3.99 0.64 -5.19 2.29 4.64 -1.80 -3.45 113.55 114.67 3jw0 h SER 666 Ca -0.49 -0.01 -0.13 0.00 -0.47 0.00 0.00 61.79 60.69 3jw0 h SER 666 Cb 1.20 -0.15 -0.16 0.00 -0.31 0.00 0.00 62.40 62.98 3jw0 h SER 666 CO 0.65 0.45 -0.68 0.00 -0.87 0.00 0.00 176.83 176.38 3jw0 s ALA 667 N -6.14 0.45 0.36 5.18 0.00 -1.26 -5.02 121.76 115.33 3jw0 s ALA 667 Ca -0.13 -1.10 0.08 0.00 0.00 0.00 0.00 51.96 50.80 3jw0 s ALA 667 Cb 0.13 0.25 0.79 0.00 0.00 0.00 0.00 23.12 24.30 3jw0 s ALA 667 CO 0.75 -0.33 1.91 1.15 0.00 0.00 0.00 175.76 179.24 3jw0 h THR 668 N 3.41 0.92 -0.60 0.00 2.02 -1.95 -2.39 112.91 114.32 3jw0 h THR 668 Ca -0.34 -0.24 -0.27 0.00 0.77 0.00 0.00 66.41 66.33 3jw0 h THR 668 Cb 1.15 0.15 -0.16 0.00 -1.74 0.00 0.00 68.15 67.55 3jw0 h THR 668 CO 0.62 0.13 0.21 -0.90 0.37 0.00 0.00 175.52 175.94 3jw0 n ASP 669 N -4.51 3.33 -0.00 4.18 5.68 -1.26 -4.60 116.55 119.37 3jw0 n ASP 669 Ca 0.14 -3.58 0.01 0.00 -0.50 0.00 0.00 54.79 50.86 3jw0 n ASP 669 Cb 0.36 -0.71 -0.01 0.00 -1.14 0.00 0.00 41.12 39.62 3jw0 n ASP 669 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 3jw0 n ASN 670 N -0.94 1.30 -3.05 -1.12 4.05 -0.90 -4.76 115.26 109.84 3jw0 n ASN 670 Ca 0.41 -0.39 -0.14 0.00 0.45 0.00 0.00 54.58 54.91 3jw0 n ASN 670 Cb 1.27 1.02 -0.03 0.00 1.23 0.00 0.00 39.78 43.28 3jw0 n ASN 670 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 177.26 172.99 3jw0 n TYR 671 N -1.18 -1.56 -5.07 1.20 4.02 -1.26 -4.79 117.16 108.53 3jw0 n TYR 671 Ca 0.00 0.23 -0.32 0.00 -0.01 0.00 0.00 57.90 57.80 3jw0 n TYR 671 Cb 0.03 -1.20 -0.15 0.00 -0.02 0.00 0.00 39.34 38.00 3jw0 n TYR 671 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 3jw0 s THR 672 N -2.28 2.56 0.43 -0.72 -4.23 -1.26 -4.73 115.64 105.41 3jw0 s THR 672 Ca 0.28 -0.89 -0.14 0.00 -1.18 0.00 0.00 61.69 59.76 3jw0 s THR 672 Cb -0.16 -1.97 -0.08 0.00 1.34 0.00 0.00 72.50 71.63 3jw0 s THR 672 CO 0.34 0.57 0.85 -0.76 -0.54 0.00 0.00 174.62 175.08 3jw0 s LEU 673 N -0.37 3.81 0.05 4.79 1.43 0.38 -2.27 118.68 126.51 3jw0 s LEU 673 Ca 0.03 1.34 -0.11 0.00 -1.03 0.00 0.00 54.13 54.36 3jw0 s LEU 673 Cb -0.12 -4.22 0.01 0.00 0.03 0.00 0.00 46.19 41.88 3jw0 s LEU 673 CO 0.02 -0.42 0.23 0.00 0.23 0.00 0.00 176.35 176.41 3jw0 s GLN 674 N -3.72 0.77 0.23 1.70 -2.07 -0.66 -0.96 119.66 114.95 3jw0 s GLN 674 Ca 0.55 -0.67 -0.30 0.00 -1.82 0.00 0.00 55.36 53.12 3jw0 s GLN 674 Cb -0.10 0.32 -0.10 0.00 -1.09 0.00 0.00 33.01 32.04 3jw0 s GLN 674 CO 0.27 -0.24 1.42 0.42 -1.32 0.00 0.00 175.29 175.85 3jw0 s ILE 675 N -2.88 2.77 -0.18 3.63 1.01 -1.26 -2.05 121.20 122.24 3jw0 s ILE 675 Ca -0.03 0.64 -0.29 0.00 0.00 0.00 0.00 60.65 60.97 3jw0 s ILE 675 Cb 0.00 -3.41 -0.01 0.00 0.01 0.00 0.00 42.46 39.06 3jw0 s ILE 675 CO -0.06 0.10 1.17 0.21 0.00 0.00 0.00 174.94 176.36 3jw0 s ASN 676 N 0.42 7.02 0.49 3.58 3.04 -1.08 -4.81 114.94 123.61 3jw0 s ASN 676 Ca 0.60 1.59 0.25 0.00 0.04 0.00 0.00 52.86 55.34 3jw0 s ASN 676 Cb -0.41 -2.54 1.32 0.00 -1.54 0.00 0.00 41.25 38.08 3jw0 s ASN 676 CO 0.41 -0.70 1.90 -0.65 -3.04 0.00 0.00 177.10 175.02 3jw0 h PRO 677 N 7.84 0.14 -1.00 0.43 0.11 -1.92 -1.38 132.00 136.22 3jw0 h PRO 677 Ca -0.25 -0.01 -0.51 0.00 0.11 0.00 0.00 66.00 65.34 3jw0 h PRO 677 Cb 1.09 -0.03 -0.31 0.00 0.11 0.00 0.00 31.00 31.87 3jw0 h PRO 677 CO 0.96 0.09 0.65 0.09 -0.21 0.00 0.00 178.00 179.59 3jw0 n ASN 678 N -4.38 3.75 0.24 -2.05 5.03 -1.26 -4.56 115.26 112.03 3jw0 n ASN 678 Ca 0.17 -3.59 0.14 0.00 0.87 0.00 0.00 54.58 52.16 3jw0 n ASN 678 Cb 0.79 -0.84 0.80 0.00 -1.02 0.00 0.00 39.78 39.50 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 0.99 0.00 1.50 6.41 4.64 -1.40 -1.84 113.55 123.86 3jw0 h SER 679 Ca 0.63 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.95 3jw0 h SER 679 Cb 2.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.95 3jw0 h SER 679 CO 1.10 0.00 -0.18 1.23 -0.87 0.00 0.00 176.83 178.11 3jw0 h GLY 680 N 0.00 0.00 0.92 -0.77 0.00 -1.80 -1.59 103.07 99.82 3jw0 h GLY 680 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 3jw0 h GLY 680 CO -0.00 0.00 -0.56 1.04 0.00 0.00 0.00 176.54 177.02 3jw0 n LEU 681 N -2.53 0.55 -0.12 3.11 4.77 -0.71 -3.93 117.00 118.15 3jw0 n LEU 681 Ca 0.04 -0.03 -0.15 0.00 -0.03 0.00 0.00 56.01 55.85 3jw0 n LEU 681 Cb 0.47 -0.22 -0.13 0.00 -2.33 0.00 0.00 43.42 41.21 3jw0 n LEU 681 CO 0.33 0.12 -1.26 0.00 -1.33 0.00 0.00 177.39 175.26 3jw0 s ASN 683 N -6.09 1.73 0.49 0.00 3.84 -0.61 -5.02 114.94 109.29 3jw0 s ASN 683 Ca -0.26 -0.16 0.15 0.00 0.21 0.00 0.00 52.86 52.81 3jw0 s ASN 683 Cb 0.08 -0.58 1.18 0.00 -0.55 0.00 0.00 41.25 41.38 3jw0 s ASN 683 CO 0.65 -0.16 2.09 -0.08 -2.79 0.00 0.00 177.10 176.81 3jw0 h GLU 684 N 8.18 0.16 -0.54 0.43 4.81 -1.86 -2.45 114.58 123.31 3jw0 h GLU 684 Ca -0.24 -0.01 -0.34 0.00 -0.13 0.00 0.00 59.36 58.64 3jw0 h GLU 684 Cb 1.13 -0.04 -0.21 0.00 0.63 0.00 0.00 28.75 30.27 3jw0 h GLU 684 CO 0.33 0.11 -0.10 -0.25 -0.73 0.00 0.00 179.01 178.36 3jw0 n ASP 685 N -4.49 3.69 -0.25 1.04 8.00 -1.26 -4.83 116.55 118.45 3jw0 n ASP 685 Ca 0.02 -3.79 0.05 0.00 0.71 0.00 0.00 54.79 51.79 3jw0 n ASP 685 Cb 0.20 -0.63 0.18 0.00 -0.02 0.00 0.00 41.12 40.86 3jw0 n ASP 685 CO 0.00 0.00 0.00 1.12 -0.39 0.00 0.00 177.20 177.93 3jw0 h HIS 686 N 1.38 0.36 -0.25 1.24 2.07 -1.71 0.24 115.15 118.49 3jw0 h HIS 686 Ca 0.32 0.04 0.07 0.00 -2.85 0.00 0.00 60.37 57.95 3jw0 h HIS 686 Cb 1.56 -0.05 -0.01 0.00 2.57 0.00 0.00 27.41 31.48 3jw0 h HIS 686 CO 1.08 -0.03 0.20 -0.07 -3.07 0.00 0.00 177.93 176.04 3jw0 h LEU 687 N 0.33 0.00 0.35 6.12 3.38 -1.88 0.67 115.31 124.28 3jw0 h LEU 687 Ca 0.41 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.36 3jw0 h LEU 687 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 3jw0 h LEU 687 CO -0.46 0.00 -0.17 -1.28 0.09 0.00 0.00 178.44 176.62 3jw0 h SER 688 N 0.00 -0.40 -0.95 -0.43 0.87 -1.35 -1.64 113.55 109.66 3jw0 h SER 688 Ca 0.12 -0.14 0.19 0.00 -1.23 0.00 0.00 61.79 60.72 3jw0 h SER 688 Cb 0.52 0.10 -0.08 0.00 -0.44 0.00 0.00 62.40 62.50 3jw0 h SER 688 CO -0.00 0.05 0.61 1.88 -0.53 0.00 0.00 176.83 178.83 3jw0 h TYR 689 N -0.98 0.82 -0.36 2.24 -1.99 -0.93 0.78 116.97 116.54 3jw0 h TYR 689 Ca -0.05 0.03 -0.09 0.00 2.00 0.00 0.00 58.73 60.61 3jw0 h TYR 689 Cb 0.51 -0.25 -0.02 0.00 2.00 0.00 0.00 36.73 38.98 3jw0 h TYR 689 CO 0.03 0.22 -0.16 0.74 -0.00 0.00 0.00 178.16 178.99 3jw0 h PHE 690 N 0.62 0.72 0.00 4.88 0.04 0.39 0.92 116.94 124.50 3jw0 h PHE 690 Ca 0.51 -0.14 0.00 0.00 2.80 0.00 0.00 57.97 61.15 3jw0 h PHE 690 Cb 0.97 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 38.94 3jw0 h PHE 690 CO -0.00 0.78 0.00 2.41 -0.60 0.00 0.00 178.31 180.89 3jw0 n THR 691 N -4.15 0.28 -0.10 -1.55 -1.04 0.14 -2.16 114.28 105.70 3jw0 n THR 691 Ca 0.01 0.07 -0.20 0.00 -2.04 0.00 0.00 64.05 61.89 3jw0 n THR 691 Cb 0.38 -0.66 -0.11 0.00 -1.82 0.00 0.00 70.33 68.12 3jw0 n THR 691 CO 0.00 0.00 0.00 0.15 -0.64 0.00 0.00 175.07 174.58 3jw0 h PHE 692 N 0.00 0.00 -0.99 -1.42 3.57 0.18 -2.49 116.94 115.80 3jw0 h PHE 692 Ca 0.00 0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.61 3jw0 h PHE 692 Cb 0.33 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 38.99 3jw0 h PHE 692 CO 0.00 1.34 0.63 0.82 -2.23 0.00 0.00 178.31 178.87 3jw0 h ILE 693 N -1.00 0.95 -0.18 1.41 1.08 -0.81 0.17 117.51 119.13 3jw0 h ILE 693 Ca -0.27 -0.34 -0.02 0.00 -0.39 0.00 0.00 64.86 63.84 3jw0 h ILE 693 Cb 1.21 -0.14 -0.01 0.00 -3.07 0.00 0.00 36.82 34.81 3jw0 h ILE 693 CO -0.16 0.18 0.04 1.23 -0.69 0.00 0.00 178.15 178.75 3jw0 h GLY 694 N 1.00 0.32 0.36 5.37 0.00 -1.55 0.17 103.07 108.73 3jw0 h GLY 694 Ca 0.48 -0.21 0.08 0.00 0.00 0.00 0.00 47.33 47.68 3jw0 h GLY 694 CO -0.24 0.19 0.07 -0.09 0.00 0.00 0.00 176.54 176.48 3jw0 h ARG 695 N 0.09 0.20 0.03 4.80 9.65 -0.59 0.96 114.38 129.53 3jw0 h ARG 695 Ca 0.06 -0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 58.92 3jw0 h ARG 695 Cb 0.29 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.83 3jw0 h ARG 695 CO 0.00 0.13 -0.01 0.28 2.80 0.00 0.00 179.97 183.17 3jw0 h VAL 696 N 0.20 1.03 -0.55 0.20 2.07 -0.51 -0.86 116.25 117.83 3jw0 h VAL 696 Ca 0.24 -0.18 0.06 0.00 0.82 0.00 0.00 66.70 67.63 3jw0 h VAL 696 Cb 0.32 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 3jw0 h VAL 696 CO -0.32 0.05 0.36 0.00 0.02 0.00 0.00 177.57 177.68 3jw0 h ALA 697 N 0.85 1.87 -0.06 1.67 0.00 -0.01 0.69 119.26 124.27 3jw0 h ALA 697 Ca -0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3jw0 h ALA 697 Cb 0.11 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3jw0 h ALA 697 CO 0.01 0.04 -0.12 0.78 0.00 0.00 0.00 179.25 179.96 3jw0 h GLY 698 N 0.50 0.20 0.55 0.00 0.00 -0.57 -2.76 103.07 101.00 3jw0 h GLY 698 Ca 0.24 -0.24 0.13 0.00 0.00 0.00 0.00 47.33 47.46 3jw0 h GLY 698 CO -0.07 0.21 0.59 -2.00 0.00 0.00 0.00 176.54 175.28 3jw0 h LEU 699 N -0.32 0.75 0.63 3.11 5.85 -0.37 0.26 115.31 125.23 3jw0 h LEU 699 Ca 0.00 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 3jw0 h LEU 699 Cb 0.70 -0.11 0.01 0.00 0.37 0.00 0.00 40.66 41.63 3jw0 h LEU 699 CO 0.03 0.40 -0.31 0.00 -0.34 0.00 0.00 178.44 178.22 3jw0 h ALA 700 N 1.58 -0.85 -0.25 1.25 0.00 -0.81 -2.28 119.26 117.89 3jw0 h ALA 700 Ca 0.45 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 3jw0 h ALA 700 Cb 0.59 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 3jw0 h ALA 700 CO -0.22 -0.98 -0.09 0.28 0.00 0.00 0.00 179.25 178.25 3jw0 h VAL 701 N -0.85 1.20 -0.73 0.00 2.07 -1.13 0.14 116.25 116.95 3jw0 h VAL 701 Ca -0.09 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.57 3jw0 h VAL 701 Cb 0.65 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 3jw0 h VAL 701 CO 0.14 0.28 0.40 0.15 0.02 0.00 0.00 177.57 178.56 3jw0 h PHE 702 N 0.38 0.99 -0.71 1.57 3.57 -0.30 -2.82 116.94 119.61 3jw0 h PHE 702 Ca 0.08 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.55 3jw0 h PHE 702 Cb 0.39 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.82 3jw0 h PHE 702 CO 0.01 0.70 0.00 0.72 -2.23 0.00 0.00 178.31 177.51 3jw0 n HIS 703 N -4.48 1.04 -3.44 0.41 8.25 -0.88 -4.97 115.22 111.15 3jw0 n HIS 703 Ca 0.06 -0.50 -0.17 0.00 -0.26 0.00 0.00 57.72 56.85 3jw0 n HIS 703 Cb 0.09 -0.04 0.09 0.00 1.12 0.00 0.00 29.99 31.25 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 1.57 -0.37 3.27 -1.41 0.00 -0.36 -5.02 105.19 102.87 3jw0 n GLY 704 Ca 0.24 0.11 -0.23 0.00 0.00 0.00 0.00 46.02 46.14 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 -5.42 1.12 0.35 1.61 3.01 0.33 -5.02 119.74 115.72 3jw0 s LYS 705 Ca 0.03 -1.10 0.02 0.00 -1.01 0.00 0.00 55.97 53.91 3jw0 s LYS 705 Cb -0.01 -1.34 -0.02 0.00 -1.01 0.00 0.00 37.83 35.45 3jw0 s LYS 705 CO 0.73 0.31 0.53 -0.51 0.51 0.00 0.00 175.35 176.93 3jw0 s LEU 706 N -1.78 3.98 0.13 3.17 1.43 -1.26 -3.89 118.68 120.46 3jw0 s LEU 706 Ca 0.06 0.26 -0.01 0.00 -1.03 0.00 0.00 54.13 53.40 3jw0 s LEU 706 Cb -0.10 -3.13 -0.04 0.00 0.03 0.00 0.00 46.19 42.95 3jw0 s LEU 706 CO 0.04 -0.37 0.32 -0.76 0.23 0.00 0.00 176.35 175.81 3jw0 s LEU 707 N -4.29 4.29 -1.08 1.79 1.43 0.05 -4.68 118.68 116.19 3jw0 s LEU 707 Ca 0.41 0.39 -0.05 0.00 -1.03 0.00 0.00 54.13 53.86 3jw0 s LEU 707 Cb -0.10 -3.12 0.30 0.00 0.03 0.00 0.00 46.19 43.31 3jw0 s LEU 707 CO 0.35 0.07 1.40 -0.67 0.23 0.00 0.00 176.35 177.72 3jw0 n ASP 708 N -0.11 6.21 0.00 2.29 4.64 -1.26 -4.51 116.55 123.80 3jw0 n ASP 708 Ca -0.04 -3.34 0.00 0.00 -1.38 0.00 0.00 54.79 50.03 3jw0 n ASP 708 Cb 0.52 -1.28 0.00 0.00 -1.04 0.00 0.00 41.12 39.32 3jw0 n ASP 708 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3jw0 n GLY 709 N 1.59 2.02 3.56 0.27 0.00 -1.26 -4.74 105.19 106.63 3jw0 n GLY 709 Ca 0.26 -0.51 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.00 2.72 0.33 1.61 0.08 -1.26 -4.76 117.98 114.71 3jw0 s PHE 710 Ca 0.00 -0.16 0.08 0.00 0.12 0.00 0.00 56.93 56.97 3jw0 s PHE 710 Cb 0.00 -1.45 -0.03 0.00 -0.57 0.00 0.00 43.02 40.96 3jw0 s PHE 710 CO 0.00 0.40 0.22 -0.06 -0.10 0.00 0.00 175.22 175.68 3jw0 s PHE 711 N -1.15 2.84 0.88 0.36 0.08 -1.26 -0.47 117.98 119.25 3jw0 s PHE 711 Ca 0.20 -0.32 -0.11 0.00 0.12 0.00 0.00 56.93 56.82 3jw0 s PHE 711 Cb -0.11 -1.69 0.12 0.00 -0.57 0.00 0.00 43.02 40.77 3jw0 s PHE 711 CO 0.12 0.28 1.10 0.96 -0.10 0.00 0.00 175.22 177.57 3jw0 s ILE 712 N -2.34 2.73 0.10 0.64 -4.36 -0.13 -4.74 121.20 113.09 3jw0 s ILE 712 Ca 0.39 0.24 -0.34 0.00 -0.26 0.00 0.00 60.65 60.67 3jw0 s ILE 712 Cb -0.05 -2.61 -0.15 0.00 1.25 0.00 0.00 42.46 40.90 3jw0 s ILE 712 CO 0.25 -0.31 1.57 -0.09 0.24 0.00 0.00 174.94 176.59 3jw0 h ARG 713 N -1.55 -0.82 -1.55 0.37 9.65 -1.92 -2.64 114.38 115.91 3jw0 h ARG 713 Ca -0.47 0.06 0.48 0.00 -1.10 0.00 0.00 59.98 58.95 3jw0 h ARG 713 Cb 1.27 0.19 -0.11 0.00 -1.39 0.00 0.00 29.97 29.93 3jw0 h ARG 713 CO 0.51 -0.55 1.06 -1.35 2.80 0.00 0.00 179.97 182.44 3jw0 h PRO 714 N -0.85 0.04 -0.10 0.20 0.11 -1.93 0.13 132.00 129.60 3jw0 h PRO 714 Ca -0.03 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.08 3jw0 h PRO 714 Cb 0.80 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.89 3jw0 h PRO 714 CO -0.17 0.02 0.05 0.35 -0.21 0.00 0.00 178.00 178.05 3jw0 h PHE 715 N 0.04 0.13 0.00 0.65 3.57 -1.83 -1.02 116.94 118.48 3jw0 h PHE 715 Ca 0.85 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 62.33 3jw0 h PHE 715 Cb 3.02 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 41.71 3jw0 h PHE 715 CO -0.00 0.16 -0.12 1.88 -2.23 0.00 0.00 178.31 178.00 3jw0 h TYR 716 N 0.07 0.00 0.00 0.41 0.05 -0.85 -2.15 116.97 114.51 3jw0 h TYR 716 Ca 0.03 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.81 3jw0 h TYR 716 Cb 0.07 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.81 3jw0 h TYR 716 CO -0.05 0.12 -0.33 0.87 -1.05 0.00 0.00 178.16 177.72 3jw0 h LYS 717 N 0.00 0.00 0.00 4.88 1.57 -1.08 -2.96 116.57 118.98 3jw0 h LYS 717 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3jw0 h LYS 717 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 3jw0 h LYS 717 CO 0.02 0.00 -0.07 0.52 -0.57 0.00 0.00 179.45 179.35 3jw0 h MET 718 N 0.00 0.00 0.00 3.15 2.86 -0.52 -0.37 114.93 120.05 3jw0 h MET 718 Ca 0.00 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 3jw0 h MET 718 Cb 0.92 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.58 3jw0 h MET 718 CO 0.00 0.00 -0.23 0.52 1.06 0.00 0.00 176.91 178.26 3jw0 h MET 719 N 0.00 0.00 0.00 1.72 2.86 -1.57 -3.24 114.93 114.70 3jw0 h MET 719 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3jw0 h MET 719 Cb 0.91 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.57 3jw0 h MET 719 CO 0.00 0.91 0.00 1.28 1.06 0.00 0.00 176.91 180.16 3jw0 n LEU 720 N -4.59 0.12 -1.89 1.22 4.77 -1.12 -4.85 117.00 110.66 3jw0 n LEU 720 Ca -0.13 0.55 -0.06 0.00 -0.03 0.00 0.00 56.01 56.34 3jw0 n LEU 720 Cb 0.47 -0.56 0.03 0.00 -2.33 0.00 0.00 43.42 41.03 3jw0 n LEU 720 CO 0.28 -0.55 0.04 0.61 -1.33 0.00 0.00 177.39 176.44 3jw0 n GLY 721 N -1.24 0.15 3.68 -0.72 0.00 -0.92 -4.99 105.19 101.15 3jw0 n GLY 721 Ca 0.00 -0.25 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 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 -4.43 2.07 0.29 1.61 1.02 -0.20 -5.04 119.74 115.06 3jw0 s LYS 722 Ca 0.01 -2.21 -0.10 0.00 0.02 0.00 0.00 55.97 53.70 3jw0 s LYS 722 Cb -0.00 -1.62 -0.07 0.00 -0.52 0.00 0.00 37.83 35.62 3jw0 s LYS 722 CO 0.26 -0.18 0.63 -0.65 -0.92 0.00 0.00 175.35 174.49 3jw0 s GLN 723 N -3.79 3.79 -0.34 1.68 -0.21 -1.26 -4.67 119.66 114.85 3jw0 s GLN 723 Ca 0.24 0.32 -0.15 0.00 0.02 0.00 0.00 55.36 55.79 3jw0 s GLN 723 Cb 0.06 -2.56 -0.01 0.00 1.00 0.00 0.00 33.01 31.50 3jw0 s GLN 723 CO 0.13 0.19 0.36 0.42 -2.12 0.00 0.00 175.29 174.27 3jw0 s ILE 724 N -2.02 5.17 0.54 1.08 -1.09 -1.26 -5.03 121.20 118.59 3jw0 s ILE 724 Ca 0.49 0.04 0.06 0.00 -2.23 0.00 0.00 60.65 59.00 3jw0 s ILE 724 Cb -0.11 -3.82 0.04 0.00 -1.58 0.00 0.00 42.46 37.00 3jw0 s ILE 724 CO 0.24 -0.09 0.42 0.42 -1.23 0.00 0.00 174.94 174.71 3jw0 s THR 725 N 2.01 1.69 0.25 2.92 -4.23 -1.26 -4.94 115.64 112.08 3jw0 s THR 725 Ca 0.12 -1.47 -0.04 0.00 -1.18 0.00 0.00 61.69 59.12 3jw0 s THR 725 Cb -0.17 -2.16 0.14 0.00 1.34 0.00 0.00 72.50 71.66 3jw0 s THR 725 CO 0.12 0.00 1.79 0.25 -0.54 0.00 0.00 174.62 176.23 3jw0 h LEU 726 N 0.73 0.88 -1.81 4.79 5.85 -1.96 -2.21 115.31 121.57 3jw0 h LEU 726 Ca -0.36 -0.17 0.06 0.00 0.84 0.00 0.00 57.88 58.25 3jw0 h LEU 726 Cb 1.30 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 42.08 3jw0 h LEU 726 CO 0.56 0.86 0.25 0.78 -0.34 0.00 0.00 178.44 180.55 3jw0 h ASN 727 N 0.90 0.21 0.23 1.25 -0.26 -1.99 -0.95 115.58 114.97 3jw0 h ASN 727 Ca 0.19 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.93 3jw0 h ASN 727 Cb 0.32 -0.04 0.00 0.00 -1.06 0.00 0.00 38.32 37.54 3jw0 h ASN 727 CO -0.00 0.14 0.00 0.47 -1.06 0.00 0.00 177.43 176.98 3jw0 n ASP 728 N -4.47 0.14 0.07 5.81 8.00 -0.83 -1.52 116.55 123.75 3jw0 n ASP 728 Ca 0.05 0.55 0.12 0.00 0.71 0.00 0.00 54.79 56.22 3jw0 n ASP 728 Cb 0.27 -0.58 0.14 0.00 -0.02 0.00 0.00 41.12 40.93 3jw0 n ASP 728 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 3jw0 h MET 729 N 0.00 0.00 -0.85 -1.24 4.05 -1.29 -3.36 114.93 112.23 3jw0 h MET 729 Ca 0.00 0.00 0.12 0.00 -0.28 0.00 0.00 59.70 59.54 3jw0 h MET 729 Cb 0.11 0.00 -0.08 0.00 -0.80 0.00 0.00 31.60 30.83 3jw0 h MET 729 CO 0.00 0.00 0.47 1.49 0.23 0.00 0.00 176.91 179.10 3jw0 h GLU 730 N 0.00 0.70 0.07 0.39 4.81 -1.41 -1.68 114.58 117.45 3jw0 h GLU 730 Ca 0.00 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3jw0 h GLU 730 Cb 0.79 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.02 3jw0 h GLU 730 CO 0.00 0.46 -0.03 0.66 -0.73 0.00 0.00 179.01 179.37 3jw0 h SER 731 N 0.72 -0.08 -0.54 1.04 4.64 -1.77 -2.98 113.55 114.58 3jw0 h SER 731 Ca 0.44 -0.45 0.09 0.00 -0.47 0.00 0.00 61.79 61.41 3jw0 h SER 731 Cb 0.53 0.02 -0.07 0.00 -0.31 0.00 0.00 62.40 62.57 3jw0 h SER 731 CO -0.31 0.43 0.12 0.58 -0.87 0.00 0.00 176.83 176.79 3jw0 h VAL 732 N -0.62 0.71 -1.04 0.95 2.07 -1.65 -3.41 116.25 113.26 3jw0 h VAL 732 Ca -0.01 -0.09 0.07 0.00 0.82 0.00 0.00 66.70 67.49 3jw0 h VAL 732 Cb 0.52 0.42 -0.21 0.00 -1.52 0.00 0.00 31.29 30.50 3jw0 h VAL 732 CO 0.02 0.05 -0.30 -0.62 0.02 0.00 0.00 177.57 176.73 3jw0 s ASP 733 N -5.32 -1.37 0.43 0.57 2.15 -0.66 -4.98 116.67 107.49 3jw0 s ASP 733 Ca -0.13 0.70 0.12 0.00 0.43 0.00 0.00 52.55 53.67 3jw0 s ASP 733 Cb 0.16 2.10 0.93 0.00 -0.30 0.00 0.00 42.92 45.81 3jw0 s ASP 733 CO 0.73 -0.27 1.98 0.77 -0.17 0.00 0.00 175.17 178.21 3jw0 h SER 734 N 8.01 0.10 -0.17 -0.34 4.64 -1.70 -2.31 113.55 121.77 3jw0 h SER 734 Ca -0.18 -0.02 -0.19 0.00 -0.47 0.00 0.00 61.79 60.93 3jw0 h SER 734 Cb 1.17 -0.03 0.01 0.00 -0.31 0.00 0.00 62.40 63.24 3jw0 h SER 734 CO 0.24 0.25 -0.65 -0.33 -0.87 0.00 0.00 176.83 175.47 3jw0 h GLU 735 N 0.11 0.74 -0.41 4.77 5.08 -1.93 -1.35 114.58 121.59 3jw0 h GLU 735 Ca 0.02 -0.57 -0.07 0.00 -1.00 0.00 0.00 59.36 57.74 3jw0 h GLU 735 Cb 0.31 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 3jw0 h GLU 735 CO 0.02 1.18 -0.03 -0.92 -1.00 0.00 0.00 179.01 178.27 3jw0 h TYR 736 N 0.46 0.81 0.09 4.33 5.03 -1.92 -2.65 116.97 123.12 3jw0 h TYR 736 Ca -0.03 -0.15 0.02 0.00 2.58 0.00 0.00 58.73 61.15 3jw0 h TYR 736 Cb 1.27 -0.21 -0.05 0.00 1.55 0.00 0.00 36.73 39.30 3jw0 h TYR 736 CO 0.09 0.83 -0.47 -0.92 -1.32 0.00 0.00 178.16 176.37 3jw0 h TYR 737 N 0.56 -1.33 -0.80 -3.82 3.20 -1.32 -2.30 116.97 111.16 3jw0 h TYR 737 Ca 0.11 0.04 0.12 0.00 3.14 0.00 0.00 58.73 62.14 3jw0 h TYR 737 Cb 0.52 0.57 -0.06 0.00 1.54 0.00 0.00 36.73 39.31 3jw0 h TYR 737 CO 0.04 -0.55 0.53 -0.91 -1.64 0.00 0.00 178.16 175.63 3jw0 h ASN 738 N -0.68 0.59 0.04 -2.11 2.35 -1.19 -0.63 115.58 113.95 3jw0 h ASN 738 Ca 0.02 0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 3jw0 h ASN 738 Cb 0.71 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.99 3jw0 h ASN 738 CO -0.28 0.33 -0.02 0.28 -1.65 0.00 0.00 177.43 176.09 3jw0 h SER 739 N 0.64 -0.05 -0.21 5.81 0.02 -1.06 0.50 113.55 119.20 3jw0 h SER 739 Ca 0.39 -0.22 0.02 0.00 -0.84 0.00 0.00 61.79 61.14 3jw0 h SER 739 Cb 0.61 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.14 3jw0 h SER 739 CO -0.15 0.19 0.05 -0.07 -1.14 0.00 0.00 176.83 175.71 3jw0 h LEU 740 N -0.29 0.03 -1.02 5.07 3.38 -1.05 -1.22 115.31 120.21 3jw0 h LEU 740 Ca -0.01 0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.09 3jw0 h LEU 740 Cb 0.27 0.03 -0.08 0.00 0.09 0.00 0.00 40.66 40.97 3jw0 h LEU 740 CO 0.01 0.05 0.64 0.50 0.09 0.00 0.00 178.44 179.73 3jw0 h LYS 741 N 0.14 1.03 0.10 1.13 3.11 -0.94 -0.05 116.57 121.08 3jw0 h LYS 741 Ca 0.09 -0.06 -0.01 0.00 -2.81 0.00 0.00 60.65 57.87 3jw0 h LYS 741 Cb 0.08 -0.23 0.00 0.00 -1.00 0.00 0.00 32.23 31.08 3jw0 h LYS 741 CO -0.11 0.68 -0.05 2.35 -2.81 0.00 0.00 179.45 179.51 3jw0 h TRP 742 N 1.06 -0.13 -0.30 1.91 7.01 0.11 -1.83 115.95 123.78 3jw0 h TRP 742 Ca 0.47 -0.00 0.07 0.00 2.11 0.00 0.00 58.89 61.54 3jw0 h TRP 742 Cb 0.37 0.04 -0.07 0.00 -2.10 0.00 0.00 29.16 27.40 3jw0 h TRP 742 CO -0.00 -0.05 -0.19 0.82 -2.79 0.00 0.00 178.44 176.23 3jw0 h ILE 743 N -0.17 0.46 -0.38 2.65 2.04 -0.17 -1.12 117.51 120.82 3jw0 h ILE 743 Ca -0.01 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.93 3jw0 h ILE 743 Cb 0.14 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.66 3jw0 h ILE 743 CO 0.02 0.00 0.26 0.25 0.00 0.00 0.00 178.15 178.69 3jw0 h LEU 744 N -0.16 0.10 0.00 1.44 5.85 -0.80 -2.79 115.31 118.95 3jw0 h LEU 744 Ca 0.16 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.88 3jw0 h LEU 744 Cb 0.40 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.41 3jw0 h LEU 744 CO -0.40 0.06 -0.72 -0.33 -0.34 0.00 0.00 178.44 176.71 3jw0 h GLU 745 N 0.11 0.00 -3.85 1.25 4.39 -0.37 -3.49 114.58 112.62 3jw0 h GLU 745 Ca 0.18 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.70 3jw0 h GLU 745 Cb 0.56 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.13 3jw0 h GLU 745 CO -0.02 0.00 -0.13 0.54 -1.16 0.00 0.00 179.01 178.24 3jw0 s ASN 746 N -4.99 0.45 -0.02 1.42 6.03 -0.70 -5.09 114.94 112.04 3jw0 s ASN 746 Ca 0.03 -1.26 -0.30 0.00 -1.03 0.00 0.00 52.86 50.30 3jw0 s ASN 746 Cb 0.11 0.65 -0.06 0.00 -3.03 0.00 0.00 41.25 38.92 3jw0 s ASN 746 CO 0.75 -1.28 1.55 -0.62 -2.03 0.00 0.00 177.10 175.47 3jw0 s ASP 747 N -3.14 6.73 -0.20 3.54 -1.08 -1.26 -4.62 116.67 116.63 3jw0 s ASP 747 Ca 0.26 2.22 0.09 0.00 -0.52 0.00 0.00 52.55 54.60 3jw0 s ASP 747 Cb -0.01 -2.55 0.58 0.00 -1.46 0.00 0.00 42.92 39.49 3jw0 s ASP 747 CO 0.15 -0.84 1.47 -0.81 0.52 0.00 0.00 175.17 175.66 3jw0 n PRO 748 N 6.20 3.52 -0.17 4.34 -0.04 -1.26 -4.58 135.00 143.02 3jw0 n PRO 748 Ca 0.15 -2.30 -0.09 0.00 -0.04 0.00 0.00 63.50 61.22 3jw0 n PRO 748 Cb 0.43 -2.03 0.00 0.00 -0.04 0.00 0.00 33.50 31.86 3jw0 n PRO 748 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3jw0 h THR 749 N 2.53 1.25 -0.01 0.52 2.02 -1.89 -3.02 112.91 114.31 3jw0 h THR 749 Ca 0.09 -0.94 0.00 0.00 0.77 0.00 0.00 66.41 66.33 3jw0 h THR 749 Cb 1.74 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 69.08 3jw0 h THR 749 CO 0.45 0.33 0.00 -1.84 0.37 0.00 0.00 175.52 174.83 3jw0 n GLU 750 N -4.42 1.19 0.00 6.66 0.00 -1.26 -3.26 120.64 119.55 3jw0 n GLU 750 Ca 0.01 -0.28 0.14 0.00 0.00 0.00 0.00 57.16 57.03 3jw0 n GLU 750 Cb 0.26 -1.47 0.60 0.00 0.00 0.00 0.00 31.44 30.83 3jw0 n GLU 750 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3jw0 n LEU 751 N -0.64 0.05 -3.81 -1.84 4.77 -1.14 -4.95 117.00 109.44 3jw0 n LEU 751 Ca 0.21 0.48 -0.36 0.00 -0.03 0.00 0.00 56.01 56.31 3jw0 n LEU 751 Cb 0.17 -0.48 0.04 0.00 -2.33 0.00 0.00 43.42 40.81 3jw0 n LEU 751 CO 0.17 -0.00 -0.11 0.47 -1.33 0.00 0.00 177.39 176.59 3jw0 n ASP 752 N -1.53 -4.85 -4.90 -1.43 8.00 -1.20 -4.99 116.55 105.65 3jw0 n ASP 752 Ca 0.07 -1.10 -0.21 0.00 0.71 0.00 0.00 54.79 54.25 3jw0 n ASP 752 Cb 0.34 -2.85 -0.03 0.00 -0.02 0.00 0.00 41.12 38.56 3jw0 n ASP 752 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3jw0 s LEU 753 N -6.79 3.96 0.23 0.64 1.43 -1.26 -5.04 118.68 111.85 3jw0 s LEU 753 Ca 0.47 -0.18 0.03 0.00 -1.03 0.00 0.00 54.13 53.42 3jw0 s LEU 753 Cb -0.20 -2.54 -0.05 0.00 0.03 0.00 0.00 46.19 43.43 3jw0 s LEU 753 CO 0.90 -0.16 0.01 -0.04 0.23 0.00 0.00 176.35 177.29 3jw0 s MET 754 N -3.96 1.34 0.00 1.70 -1.94 -1.26 -2.32 119.30 112.86 3jw0 s MET 754 Ca 0.36 -1.68 -0.05 0.00 -1.71 0.00 0.00 55.69 52.61 3jw0 s MET 754 Cb -0.08 -0.56 -0.23 0.00 2.01 0.00 0.00 34.83 35.96 3jw0 s MET 754 CO 0.27 -0.12 3.24 1.19 -0.01 0.00 0.00 175.02 179.59 3jw0 n PHE 755 N -0.42 0.00 -4.06 -0.03 3.72 -0.92 -4.78 117.46 110.97 3jw0 n PHE 755 Ca -0.05 -1.32 -0.09 0.00 -0.05 0.00 0.00 57.45 55.95 3jw0 n PHE 755 Cb 0.64 -1.45 -0.11 0.00 -0.94 0.00 0.00 39.48 37.63 3jw0 n PHE 755 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3jw0 s ILE 757 N -2.70 0.45 -0.04 0.00 -1.16 -0.45 -4.92 121.20 112.38 3jw0 s ILE 757 Ca -0.02 -0.39 -0.27 0.00 -0.51 0.00 0.00 60.65 59.45 3jw0 s ILE 757 Cb -0.01 -0.41 -0.03 0.00 0.61 0.00 0.00 42.46 42.62 3jw0 s ILE 757 CO -0.05 0.02 0.88 -1.81 -2.81 0.00 0.00 174.94 171.18 3jw0 s ASP 758 N -0.41 7.21 -0.07 4.50 -0.00 -1.26 -0.79 116.67 125.85 3jw0 s ASP 758 Ca -0.00 1.47 -0.00 0.00 -0.00 0.00 0.00 52.55 54.01 3jw0 s ASP 758 Cb -0.04 -2.51 0.02 0.00 -0.00 0.00 0.00 42.92 40.40 3jw0 s ASP 758 CO -0.00 -0.23 -0.04 -0.70 -0.00 0.00 0.00 175.17 174.19 3jw0 s GLU 759 N 1.08 1.00 -0.31 8.23 2.12 -0.66 -4.97 118.70 125.20 3jw0 s GLU 759 Ca 0.46 -0.09 -0.05 0.00 0.36 0.00 0.00 54.97 55.64 3jw0 s GLU 759 Cb -0.19 -1.12 0.03 0.00 0.26 0.00 0.00 34.13 33.10 3jw0 s GLU 759 CO 0.23 -0.20 0.06 -2.00 -0.54 0.00 0.00 175.26 172.82 3jw0 s GLU 760 N 1.47 2.78 0.04 4.30 2.12 -1.26 -0.12 118.70 128.03 3jw0 s GLU 760 Ca -0.02 -1.06 0.06 0.00 0.36 0.00 0.00 54.97 54.32 3jw0 s GLU 760 Cb -0.13 -3.34 -0.02 0.00 0.26 0.00 0.00 34.13 30.89 3jw0 s GLU 760 CO -0.04 -0.55 -0.18 0.54 -0.54 0.00 0.00 175.26 174.49 3jw0 s ASN 761 N 1.41 2.14 -1.28 -1.70 2.20 -1.18 -4.82 114.94 111.70 3jw0 s ASN 761 Ca -0.00 -0.47 -0.06 0.00 -0.94 0.00 0.00 52.86 51.38 3jw0 s ASN 761 Cb -0.18 -0.17 -0.01 0.00 -2.00 0.00 0.00 41.25 38.89 3jw0 s ASN 761 CO 0.01 0.12 0.64 0.49 -2.94 0.00 0.00 177.10 175.43 3jw0 n PHE 762 N 1.96 -1.85 -3.37 1.54 3.72 -1.26 -1.79 117.46 116.41 3jw0 n PHE 762 Ca -0.17 0.71 -0.20 0.00 -0.05 0.00 0.00 57.45 57.74 3jw0 n PHE 762 Cb 0.54 -3.93 -0.03 0.00 -0.94 0.00 0.00 39.48 35.12 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 -1.72 -0.46 2.59 1.37 0.00 -1.26 -4.87 105.19 100.83 3jw0 n GLY 763 Ca -0.24 0.04 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 3jw0 n GLY 763 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3jw0 s GLN 764 N -5.97 0.17 -0.17 1.61 2.00 -0.74 -5.13 119.66 111.43 3jw0 s GLN 764 Ca 0.37 -0.34 -0.28 0.00 -2.00 0.00 0.00 55.36 53.10 3jw0 s GLN 764 Cb -0.21 -1.53 -0.00 0.00 0.80 0.00 0.00 33.01 32.07 3jw0 s GLN 764 CO 0.45 -0.85 0.98 -0.08 -0.50 0.00 0.00 175.29 175.30 3jw0 s THR 765 N 2.09 4.76 0.55 -0.34 -1.32 -1.26 -3.13 115.64 117.00 3jw0 s THR 765 Ca 0.05 1.95 0.07 0.00 -1.21 0.00 0.00 61.69 62.56 3jw0 s THR 765 Cb -0.16 -4.27 0.06 0.00 -1.51 0.00 0.00 72.50 66.61 3jw0 s THR 765 CO -0.23 -0.06 0.58 -0.31 -2.21 0.00 0.00 174.62 172.38 3jw0 s TYR 766 N 2.51 1.59 -0.20 9.09 1.51 0.83 -4.96 117.35 127.72 3jw0 s TYR 766 Ca 0.44 -0.77 -0.04 0.00 -1.01 0.00 0.00 57.07 55.69 3jw0 s TYR 766 Cb -0.17 -2.06 0.08 0.00 -0.11 0.00 0.00 41.96 39.70 3jw0 s TYR 766 CO 0.12 -0.76 0.14 -1.14 -1.11 0.00 0.00 175.55 172.80 3jw0 s GLN 767 N -4.44 0.12 0.01 -0.62 0.74 -1.26 -1.65 119.66 112.56 3jw0 s GLN 767 Ca 0.47 -0.03 0.06 0.00 0.05 0.00 0.00 55.36 55.91 3jw0 s GLN 767 Cb -0.04 -1.54 -0.03 0.00 1.10 0.00 0.00 33.01 32.50 3jw0 s GLN 767 CO 0.29 -0.71 -0.18 0.14 -0.55 0.00 0.00 175.29 174.28 3jw0 s VAL 768 N 2.20 2.75 -0.18 1.34 -7.23 0.03 -4.94 120.40 114.38 3jw0 s VAL 768 Ca 0.04 -1.05 -0.29 0.00 -1.81 0.00 0.00 61.98 58.87 3jw0 s VAL 768 Cb -0.16 -2.11 0.00 0.00 0.56 0.00 0.00 36.38 34.67 3jw0 s VAL 768 CO -0.13 0.44 1.03 -1.81 -0.31 0.00 0.00 175.10 174.32 3jw0 s ASP 769 N -1.13 7.16 0.58 4.85 1.11 -1.26 -1.34 116.67 126.64 3jw0 s ASP 769 Ca 0.13 1.45 0.37 0.00 0.18 0.00 0.00 52.55 54.68 3jw0 s ASP 769 Cb -0.10 -2.55 1.74 0.00 1.07 0.00 0.00 42.92 43.08 3jw0 s ASP 769 CO 0.03 -0.58 2.11 -0.07 1.18 0.00 0.00 175.17 177.84 3jw0 h LEU 770 N 8.86 0.00 -7.31 1.23 3.38 -1.72 -3.44 115.31 116.32 3jw0 h LEU 770 Ca -0.24 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.67 3jw0 h LEU 770 Cb 1.10 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.70 3jw0 h LEU 770 CO 0.93 0.00 -0.03 -1.59 0.09 0.00 0.00 178.44 177.84 3jw0 s LYS 771 N -3.83 1.04 -0.29 1.13 -2.85 -1.26 -5.05 119.74 108.62 3jw0 s LYS 771 Ca -0.01 -0.47 -0.44 0.00 -1.00 0.00 0.00 55.97 54.05 3jw0 s LYS 771 Cb 0.10 0.46 -0.19 0.00 -2.06 0.00 0.00 37.83 36.14 3jw0 s LYS 771 CO 0.48 -0.39 1.43 -2.30 0.10 0.00 0.00 175.35 174.68 3jw0 n PRO 772 N 0.13 0.17 -2.52 1.78 -0.02 -1.26 -0.28 135.00 132.99 3jw0 n PRO 772 Ca -0.17 0.06 -0.19 0.00 -2.02 0.00 0.00 63.50 61.18 3jw0 n PRO 772 Cb 0.62 -1.59 -0.00 0.00 -0.02 0.00 0.00 33.50 32.51 3jw0 n PRO 772 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3jw0 n ASN 773 N 3.27 -5.39 -0.21 2.55 5.15 -1.26 -4.88 115.26 114.50 3jw0 n ASN 773 Ca 0.26 -0.01 -0.04 0.00 -0.60 0.00 0.00 54.58 54.20 3jw0 n ASN 773 Cb 0.01 -4.48 0.07 0.00 -0.53 0.00 0.00 39.78 34.85 3jw0 n ASN 773 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 3jw0 h GLY 774 N -0.20 0.86 -0.34 8.20 0.00 -0.84 -2.41 103.07 108.33 3jw0 h GLY 774 Ca -0.45 -0.25 0.19 0.00 0.00 0.00 0.00 47.33 46.82 3jw0 h GLY 774 CO 0.52 0.19 0.99 1.48 0.00 0.00 0.00 176.54 179.72 3jw0 h SER 775 N 0.67 0.00 0.15 0.19 4.64 -1.84 0.38 113.55 117.75 3jw0 h SER 775 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 3jw0 h SER 775 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3jw0 h SER 775 CO -0.13 0.00 -0.77 -0.62 -0.87 0.00 0.00 176.83 174.44 3jw0 n GLU 776 N -3.15 0.16 -3.77 4.77 -0.58 -0.91 -4.76 120.64 112.41 3jw0 n GLU 776 Ca 0.14 -0.12 -0.35 0.00 -0.42 0.00 0.00 57.16 56.41 3jw0 n GLU 776 Cb 1.20 -1.50 -0.08 0.00 -0.57 0.00 0.00 31.44 30.49 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 -2.92 5.33 0.53 -3.67 1.01 0.13 -5.01 121.20 116.60 3jw0 s ILE 777 Ca 0.11 0.16 -0.18 0.00 0.00 0.00 0.00 60.65 60.74 3jw0 s ILE 777 Cb 0.17 -3.43 -0.07 0.00 0.01 0.00 0.00 42.46 39.14 3jw0 s ILE 777 CO 0.77 0.44 1.04 -0.04 0.00 0.00 0.00 174.94 177.15 3jw0 s MET 778 N 0.35 3.65 -0.90 2.79 -1.94 -1.26 -2.16 119.30 119.82 3jw0 s MET 778 Ca 0.07 1.25 -0.17 0.00 -1.71 0.00 0.00 55.69 55.14 3jw0 s MET 778 Cb -0.11 -2.08 0.17 0.00 2.01 0.00 0.00 34.83 34.82 3jw0 s MET 778 CO -0.02 -0.54 0.99 0.14 -0.01 0.00 0.00 175.02 175.58 3jw0 s VAL 779 N -2.23 5.12 0.00 -6.03 -7.23 -0.98 -4.84 120.40 104.20 3jw0 s VAL 779 Ca 0.65 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.82 3jw0 s VAL 779 Cb -0.15 -4.66 0.00 0.00 0.56 0.00 0.00 36.38 32.13 3jw0 s VAL 779 CO 0.27 -1.31 0.00 0.35 -0.31 0.00 0.00 175.10 174.10 3jw0 n THR 780 N 4.81 0.00 1.01 5.32 -2.24 -1.26 -4.38 114.28 117.54 3jw0 n THR 780 Ca 0.20 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 62.09 3jw0 n THR 780 Cb 0.48 -1.89 -0.03 0.00 -2.10 0.00 0.00 70.33 66.78 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 -2.09 1.34 -1.14 3.42 4.05 -1.26 -3.52 115.26 116.06 3jw0 n ASN 781 Ca 0.00 -1.13 0.07 0.00 0.45 0.00 0.00 54.58 53.97 3jw0 n ASN 781 Cb 0.00 0.73 0.25 0.00 1.23 0.00 0.00 39.78 41.98 3jw0 n ASN 781 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 177.26 172.37 3jw0 n GLU 782 N -0.93 2.73 -0.09 1.20 0.28 -1.26 -4.19 120.64 118.37 3jw0 n GLU 782 Ca 0.06 -1.99 0.00 0.00 -0.16 0.00 0.00 57.16 55.07 3jw0 n GLU 782 Cb 0.38 -1.62 0.00 0.00 1.43 0.00 0.00 31.44 31.63 3jw0 n GLU 782 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 3jw0 n ASN 783 N 0.83 0.00 0.19 -1.84 2.04 -1.26 -4.94 115.26 110.28 3jw0 n ASN 783 Ca 0.18 -1.05 0.04 0.00 -0.44 0.00 0.00 54.58 53.31 3jw0 n ASN 783 Cb 0.60 -0.01 0.37 0.00 -2.53 0.00 0.00 39.78 38.21 3jw0 n ASN 783 CO 0.00 0.00 0.00 0.07 -0.44 0.00 0.00 177.26 176.89 3jw0 h LYS 784 N 0.00 0.00 -0.18 -3.83 2.10 -1.72 -2.82 116.57 110.12 3jw0 h LYS 784 Ca 0.00 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.57 3jw0 h LYS 784 Cb 1.02 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.34 3jw0 h LYS 784 CO 0.00 0.38 -0.23 0.00 -2.00 0.00 0.00 179.45 177.60 3jw0 h ARG 785 N 0.00 0.31 0.00 0.07 3.08 -1.92 -2.18 114.38 113.74 3jw0 h ARG 785 Ca -0.00 -0.10 -0.14 0.00 0.07 0.00 0.00 59.98 59.80 3jw0 h ARG 785 Cb 0.75 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.75 3jw0 h ARG 785 CO 0.05 0.53 -0.67 1.49 -1.07 0.00 0.00 179.97 180.30 3jw0 h GLU 786 N 0.28 0.00 0.21 0.04 4.81 -1.90 -2.10 114.58 115.92 3jw0 h GLU 786 Ca 0.05 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 3jw0 h GLU 786 Cb 0.57 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.95 3jw0 h GLU 786 CO 0.04 0.67 -0.10 -0.92 -0.73 0.00 0.00 179.01 177.97 3jw0 h TYR 787 N 0.00 -0.26 -0.92 0.92 3.20 -1.31 -2.50 116.97 116.10 3jw0 h TYR 787 Ca -0.01 -0.01 0.26 0.00 3.14 0.00 0.00 58.73 62.12 3jw0 h TYR 787 Cb 1.22 0.09 -0.16 0.00 1.54 0.00 0.00 36.73 39.42 3jw0 h TYR 787 CO 0.00 -0.16 0.18 0.82 -1.64 0.00 0.00 178.16 177.36 3jw0 h ILE 788 N -0.41 0.18 -0.96 1.81 2.04 -1.48 1.16 117.51 119.84 3jw0 h ILE 788 Ca -0.03 -0.04 0.14 0.00 1.00 0.00 0.00 64.86 65.93 3jw0 h ILE 788 Cb 0.21 0.06 -0.08 0.00 -0.74 0.00 0.00 36.82 36.27 3jw0 h ILE 788 CO 0.05 0.02 0.61 0.44 0.00 0.00 0.00 178.15 179.27 3jw0 h ASP 789 N 0.11 0.81 0.00 1.72 3.45 -1.34 -1.51 116.42 119.65 3jw0 h ASP 789 Ca 0.59 0.05 -0.04 0.00 0.43 0.00 0.00 57.03 58.06 3jw0 h ASP 789 Cb 1.25 -0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 39.91 3jw0 h ASP 789 CO -0.76 0.40 -0.23 -0.07 -1.57 0.00 0.00 179.24 177.01 3jw0 h LEU 790 N 0.85 0.00 -1.22 1.55 3.38 0.17 -2.84 115.31 117.20 3jw0 h LEU 790 Ca 0.49 -0.88 0.24 0.00 0.09 0.00 0.00 57.88 57.82 3jw0 h LEU 790 Cb 0.64 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.28 3jw0 h LEU 790 CO -0.26 1.08 0.63 0.58 0.09 0.00 0.00 178.44 180.56 3jw0 h VAL 791 N -1.00 0.58 0.24 1.22 2.07 -0.41 0.55 116.25 119.49 3jw0 h VAL 791 Ca -0.06 -0.18 -0.32 0.00 0.82 0.00 0.00 66.70 66.96 3jw0 h VAL 791 Cb 1.03 0.01 0.04 0.00 -1.52 0.00 0.00 31.29 30.85 3jw0 h VAL 791 CO -0.04 0.09 -1.40 0.40 0.02 0.00 0.00 177.57 176.65 3jw0 h ILE 792 N 0.52 1.31 0.00 4.57 2.04 -1.39 -2.75 117.51 121.81 3jw0 h ILE 792 Ca 0.59 -2.68 -0.00 0.00 1.00 0.00 0.00 64.86 63.77 3jw0 h ILE 792 Cb 1.28 3.07 -0.00 0.00 -0.74 0.00 0.00 36.82 40.43 3jw0 h ILE 792 CO -0.35 0.80 -0.02 -0.61 0.00 0.00 0.00 178.15 177.97 3jw0 h GLN 793 N 0.08 0.00 0.04 2.37 4.15 -1.05 -1.89 115.11 118.81 3jw0 h GLN 793 Ca -0.24 0.00 -0.28 0.00 0.77 0.00 0.00 58.65 58.90 3jw0 h GLN 793 Cb 2.10 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 29.76 3jw0 h GLN 793 CO 0.26 0.02 -1.50 2.35 -1.93 0.00 0.00 178.83 178.03 3jw0 h TRP 794 N 0.00 0.14 0.01 3.99 7.01 -0.95 0.89 115.95 127.05 3jw0 h TRP 794 Ca -0.00 -0.10 -0.22 0.00 2.11 0.00 0.00 58.89 60.67 3jw0 h TRP 794 Cb 0.25 -0.01 -0.03 0.00 -2.10 0.00 0.00 29.16 27.27 3jw0 h TRP 794 CO 0.00 1.14 -1.10 -0.09 -2.79 0.00 0.00 178.44 175.60 3jw0 h ARG 795 N 0.02 0.03 0.00 2.65 2.43 -1.09 -3.41 114.38 115.00 3jw0 h ARG 795 Ca -0.21 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 3jw0 h ARG 795 Cb 1.95 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.52 3jw0 h ARG 795 CO 0.11 0.97 -0.61 1.19 -1.51 0.00 0.00 179.97 180.13 3jw0 n PHE 796 N -3.34 0.00 0.03 2.20 3.72 -0.77 -5.00 117.46 114.30 3jw0 n PHE 796 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 3jw0 n PHE 796 Cb 0.96 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.50 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 -1.17 0.59 -0.32 -4.37 0.31 -0.87 -4.81 118.33 107.68 3jw0 n VAL 797 Ca 0.00 0.19 0.29 0.00 -0.01 0.00 0.00 64.34 64.82 3jw0 n VAL 797 Cb 0.00 -1.51 0.54 0.00 -0.91 0.00 0.00 33.84 31.96 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 0.27 -0.59 4.52 2.35 0.54 -2.69 115.58 119.98 3jw0 h ASN 798 Ca 0.00 0.25 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 3jw0 h ASN 798 Cb 0.50 0.27 0.00 0.00 0.05 0.00 0.00 38.32 39.14 3jw0 h ASN 798 CO 0.00 -0.39 0.00 0.54 -1.65 0.00 0.00 177.43 175.93 3jw0 n ARG 799 N -5.25 3.80 0.00 0.81 1.74 -1.26 -4.46 116.66 112.04 3jw0 n ARG 799 Ca 0.36 -2.88 0.00 0.00 -0.77 0.00 0.00 57.85 54.55 3jw0 n ARG 799 Cb 1.19 -1.91 0.00 0.00 -1.02 0.00 0.00 32.46 30.72 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 0.86 0.00 -0.20 1.55 0.24 -1.01 -4.56 118.33 115.21 3jw0 n VAL 800 Ca 0.25 -0.18 -0.00 0.00 -2.04 0.00 0.00 64.34 62.37 3jw0 n VAL 800 Cb 0.91 1.51 0.11 0.00 -1.47 0.00 0.00 33.84 34.89 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 0.36 -0.89 7.34 1.08 -1.78 1.02 115.11 122.25 3jw0 h GLN 801 Ca 0.00 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 3jw0 h GLN 801 Cb 0.25 -0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 27.56 3jw0 h GLN 801 CO 0.00 0.24 0.56 0.87 -0.95 0.00 0.00 178.83 179.55 3jw0 h LYS 802 N 0.37 1.19 0.48 1.46 6.56 -1.92 0.23 116.57 124.94 3jw0 h LYS 802 Ca 0.31 -0.09 -0.02 0.00 -1.06 0.00 0.00 60.65 59.78 3jw0 h LYS 802 Cb 0.39 -0.26 0.00 0.00 -0.57 0.00 0.00 32.23 31.80 3jw0 h LYS 802 CO -0.32 0.81 -0.23 1.96 -2.06 0.00 0.00 179.45 179.61 3jw0 h GLN 803 N 1.22 -0.61 -0.98 3.15 7.50 -1.50 -1.33 115.11 122.56 3jw0 h GLN 803 Ca 0.32 0.04 0.26 0.00 0.50 0.00 0.00 58.65 59.77 3jw0 h GLN 803 Cb -0.09 0.14 -0.06 0.00 0.05 0.00 0.00 27.48 27.52 3jw0 h GLN 803 CO -0.06 -0.41 0.67 1.98 -1.50 0.00 0.00 178.83 179.50 3jw0 h MET 804 N -1.05 0.21 -0.04 1.46 4.05 0.11 0.10 114.93 119.77 3jw0 h MET 804 Ca -0.07 -0.01 -0.21 0.00 -0.28 0.00 0.00 59.70 59.14 3jw0 h MET 804 Cb 0.49 -0.05 0.01 0.00 -0.80 0.00 0.00 31.60 31.26 3jw0 h MET 804 CO 0.11 0.14 -0.78 -0.91 0.23 0.00 0.00 176.91 175.69 3jw0 h ASN 805 N 0.22 0.75 -0.67 1.39 2.35 -0.93 -2.04 115.58 116.64 3jw0 h ASN 805 Ca 0.50 -0.72 -0.01 0.00 -0.55 0.00 0.00 56.30 55.53 3jw0 h ASN 805 Cb 1.58 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 39.69 3jw0 h ASN 805 CO -0.13 1.36 0.39 0.00 -1.65 0.00 0.00 177.43 177.40 3jw0 h ALA 806 N 0.40 1.39 0.88 -0.83 0.00 0.30 0.22 119.26 121.63 3jw0 h ALA 806 Ca -0.09 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 3jw0 h ALA 806 Cb 1.45 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.97 3jw0 h ALA 806 CO 0.16 0.51 -0.42 0.35 0.00 0.00 0.00 179.25 179.84 3jw0 h PHE 807 N 0.95 -1.10 -0.69 0.00 3.57 -0.88 -2.51 116.94 116.29 3jw0 h PHE 807 Ca 0.24 -0.03 0.12 0.00 3.53 0.00 0.00 57.97 61.84 3jw0 h PHE 807 Cb 0.00 0.36 -0.04 0.00 2.79 0.00 0.00 35.95 39.06 3jw0 h PHE 807 CO 0.01 -0.68 0.46 -0.07 -2.23 0.00 0.00 178.31 175.79 3jw0 h LEU 808 N -1.22 0.40 -0.10 0.59 3.38 -0.98 0.19 115.31 117.58 3jw0 h LEU 808 Ca -0.12 0.02 0.04 0.00 0.09 0.00 0.00 57.88 57.90 3jw0 h LEU 808 Cb 0.91 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.55 3jw0 h LEU 808 CO 0.20 0.23 -0.17 -0.08 0.09 0.00 0.00 178.44 178.71 3jw0 h GLU 809 N 0.44 -0.22 0.00 1.13 4.81 -0.17 -1.23 114.58 119.34 3jw0 h GLU 809 Ca 0.33 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.57 3jw0 h GLU 809 Cb 0.67 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.10 3jw0 h GLU 809 CO -0.10 -0.15 -0.10 0.78 -0.73 0.00 0.00 179.01 178.71 3jw0 h GLY 810 N -0.23 0.00 0.82 1.92 0.00 -0.86 -3.25 103.07 101.47 3jw0 h GLY 810 Ca 0.08 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.30 3jw0 h GLY 810 CO -0.23 0.00 -0.35 -2.75 0.00 0.00 0.00 176.54 173.22 3jw0 h PHE 811 N 0.00 0.61 0.00 5.60 3.57 -0.17 -2.87 116.94 123.69 3jw0 h PHE 811 Ca 0.00 -0.24 0.00 0.00 3.53 0.00 0.00 57.97 61.26 3jw0 h PHE 811 Cb 0.90 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.53 3jw0 h PHE 811 CO 0.00 0.97 0.00 0.25 -2.23 0.00 0.00 178.31 177.30 3jw0 n THR 812 N -4.35 0.00 0.24 4.41 -2.24 -0.51 -3.15 114.28 108.69 3jw0 n THR 812 Ca -0.07 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.84 3jw0 n THR 812 Cb 0.50 -0.11 0.51 0.00 -2.10 0.00 0.00 70.33 69.13 3jw0 n THR 812 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3jw0 h GLU 813 N 0.01 0.00 0.00 -0.78 4.57 -1.54 -3.31 114.58 113.53 3jw0 h GLU 813 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3jw0 h GLU 813 Cb 0.09 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.68 3jw0 h GLU 813 CO 0.00 0.12 -0.53 1.28 -1.18 0.00 0.00 179.01 178.70 3jw0 n LEU 814 N -3.24 0.00 -4.18 1.64 4.32 -1.19 -4.85 117.00 109.52 3jw0 n LEU 814 Ca 0.01 -0.08 -0.29 0.00 -0.02 0.00 0.00 56.01 55.64 3jw0 n LEU 814 Cb 0.40 0.00 -0.16 0.00 -1.62 0.00 0.00 43.42 42.04 3jw0 n LEU 814 CO 0.31 0.00 -0.53 -0.76 -1.22 0.00 0.00 177.39 175.19 3jw0 s LEU 815 N -1.90 1.96 -0.37 2.23 1.02 -1.22 -5.01 118.68 115.39 3jw0 s LEU 815 Ca 0.00 -0.44 -0.29 0.00 0.02 0.00 0.00 54.13 53.43 3jw0 s LEU 815 Cb 0.00 -1.16 0.00 0.00 0.02 0.00 0.00 46.19 45.05 3jw0 s LEU 815 CO 0.00 0.17 1.49 -2.84 0.02 0.00 0.00 176.35 175.19 3jw0 s PRO 816 N 0.12 3.59 0.57 1.29 0.02 -1.26 -4.31 135.00 135.02 3jw0 s PRO 816 Ca -0.08 1.13 0.38 0.00 0.02 0.00 0.00 61.00 62.45 3jw0 s PRO 816 Cb -0.14 -4.04 1.45 0.00 0.02 0.00 0.00 34.50 31.79 3jw0 s PRO 816 CO 0.04 -1.54 1.62 0.97 -0.33 0.00 0.00 177.00 177.76 3jw0 h ILE 817 N 6.44 0.17 0.00 2.83 6.09 -1.96 1.37 117.51 132.44 3jw0 h ILE 817 Ca -0.29 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.20 3jw0 h ILE 817 Cb 1.12 0.20 0.00 0.00 0.47 0.00 0.00 36.82 38.61 3jw0 h ILE 817 CO 1.06 0.00 0.00 0.47 -3.07 0.00 0.00 178.15 176.61 3jw0 n ASP 818 N -3.81 0.48 0.04 2.19 9.92 -1.26 -2.05 116.55 122.06 3jw0 n ASP 818 Ca 0.29 0.59 -0.07 0.00 -0.53 0.00 0.00 54.79 55.07 3jw0 n ASP 818 Cb 1.50 -0.70 -0.12 0.00 -0.64 0.00 0.00 41.12 41.16 3jw0 n ASP 818 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 3jw0 h LEU 819 N 0.00 0.00 -0.09 0.64 5.85 0.15 -3.27 115.31 118.58 3jw0 h LEU 819 Ca 0.00 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.49 3jw0 h LEU 819 Cb 0.44 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.47 3jw0 h LEU 819 CO 0.00 0.96 -1.03 0.40 -0.34 0.00 0.00 178.44 178.43 3jw0 h ILE 820 N 0.00 1.49 0.00 4.05 5.03 -1.45 -3.26 117.51 123.36 3jw0 h ILE 820 Ca -0.09 -2.79 0.00 0.00 -0.12 0.00 0.00 64.86 61.86 3jw0 h ILE 820 Cb 1.82 2.65 0.00 0.00 -3.03 0.00 0.00 36.82 38.25 3jw0 h ILE 820 CO 0.11 0.82 0.00 0.29 -0.68 0.00 0.00 178.15 178.68 3jw0 n LYS 821 N -3.61 0.36 0.16 2.37 5.02 -0.87 -1.89 118.16 119.70 3jw0 n LYS 821 Ca -0.06 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.31 3jw0 n LYS 821 Cb 0.90 -1.21 0.08 0.00 -0.02 0.00 0.00 35.03 34.78 3jw0 n LYS 821 CO 0.00 0.00 0.00 -0.84 -0.52 0.00 0.00 177.40 176.04 3jw0 h ILE 822 N 0.00 0.35 -2.23 -0.18 3.07 -1.70 -3.45 117.51 113.36 3jw0 h ILE 822 Ca 0.00 -1.52 -0.44 0.00 1.55 0.00 0.00 64.86 64.45 3jw0 h ILE 822 Cb 0.00 2.10 0.05 0.00 -0.27 0.00 0.00 36.82 38.70 3jw0 h ILE 822 CO 0.00 0.20 -0.06 -0.36 -1.05 0.00 0.00 178.15 176.88 3jw0 s PHE 823 N -3.12 2.65 0.50 0.16 0.08 -0.79 -5.13 117.98 112.34 3jw0 s PHE 823 Ca 0.04 -0.13 0.05 0.00 0.12 0.00 0.00 56.93 57.01 3jw0 s PHE 823 Cb 0.07 -2.70 0.00 0.00 -0.57 0.00 0.00 43.02 39.82 3jw0 s PHE 823 CO 0.72 -0.91 0.24 0.16 -0.10 0.00 0.00 175.22 175.34 3jw0 s ASP 824 N -4.46 4.46 0.64 1.36 1.47 -1.26 -4.88 116.67 114.00 3jw0 s ASP 824 Ca 0.58 -1.30 0.28 0.00 1.18 0.00 0.00 52.55 53.29 3jw0 s ASP 824 Cb -0.10 0.21 1.51 0.00 -0.34 0.00 0.00 42.92 44.21 3jw0 s ASP 824 CO 0.38 -0.90 1.87 1.05 0.68 0.00 0.00 175.17 178.26 3jw0 h GLU 825 N 1.08 0.00 0.06 2.11 9.09 -1.99 0.24 114.58 125.17 3jw0 h GLU 825 Ca -0.40 0.00 -0.36 0.00 0.05 0.00 0.00 59.36 58.65 3jw0 h GLU 825 Cb 1.29 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 28.35 3jw0 h GLU 825 CO 0.65 0.00 -2.11 0.09 0.05 0.00 0.00 179.01 177.68 3jw0 n ASN 826 N -3.13 1.72 -0.01 3.06 3.02 -1.26 -3.22 115.26 115.45 3jw0 n ASN 826 Ca 0.01 0.13 -0.14 0.00 -0.03 0.00 0.00 54.58 54.56 3jw0 n ASN 826 Cb 0.50 -0.47 -0.02 0.00 -0.61 0.00 0.00 39.78 39.18 3jw0 n ASN 826 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3jw0 h GLU 827 N 0.04 0.67 -0.74 3.52 5.08 -1.74 -2.29 114.58 119.12 3jw0 h GLU 827 Ca -0.46 -0.51 0.01 0.00 -1.00 0.00 0.00 59.36 57.41 3jw0 h GLU 827 Cb 2.01 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 31.32 3jw0 h GLU 827 CO 0.04 1.13 0.48 1.25 -1.00 0.00 0.00 179.01 180.91 3jw0 h LEU 828 N 0.47 0.83 -1.75 1.33 5.85 -0.72 0.56 115.31 121.88 3jw0 h LEU 828 Ca -0.03 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 3jw0 h LEU 828 Cb 1.31 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 42.13 3jw0 h LEU 828 CO 0.14 0.59 -0.16 -0.08 -0.34 0.00 0.00 178.44 178.59 3jw0 h GLU 829 N 0.98 0.00 0.00 1.25 4.81 -1.50 -1.85 114.58 118.27 3jw0 h GLU 829 Ca 0.28 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 3jw0 h GLU 829 Cb -0.08 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.30 3jw0 h GLU 829 CO -0.07 0.16 -0.44 -0.11 -0.73 0.00 0.00 179.01 177.82 3jw0 n LEU 830 N -4.02 0.49 -0.01 1.64 7.94 -0.30 -2.29 117.00 120.44 3jw0 n LEU 830 Ca -0.02 0.16 0.05 0.00 -1.11 0.00 0.00 56.01 55.10 3jw0 n LEU 830 Cb 0.25 -0.27 -0.14 0.00 0.53 0.00 0.00 43.42 43.78 3jw0 n LEU 830 CO 0.34 0.04 -0.72 -0.11 -1.11 0.00 0.00 177.39 175.83 3jw0 n LEU 831 N -1.71 0.18 -0.10 -1.96 7.94 0.04 -3.07 117.00 118.31 3jw0 n LEU 831 Ca 0.05 0.07 -0.19 0.00 -1.11 0.00 0.00 56.01 54.83 3jw0 n LEU 831 Cb 0.37 0.11 -0.12 0.00 0.53 0.00 0.00 43.42 44.31 3jw0 n LEU 831 CO 0.34 0.10 -1.24 0.23 -1.11 0.00 0.00 177.39 175.71 3jw0 n MET 832 N -2.47 0.67 0.00 1.96 2.81 -0.77 -4.64 117.12 114.68 3jw0 n MET 832 Ca -0.10 0.18 0.03 0.00 -1.81 0.00 0.00 57.70 55.99 3jw0 n MET 832 Cb 0.72 -1.56 0.02 0.00 -0.71 0.00 0.00 33.22 31.70 3jw0 n MET 832 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3jw0 n GLY 834 N 0.37 -1.72 3.80 0.00 0.00 -1.17 -4.74 105.19 101.73 3jw0 n GLY 834 Ca 0.03 -1.25 -0.33 0.00 0.00 0.00 0.00 46.02 44.48 3jw0 n GLY 834 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3jw0 s LEU 835 N 0.00 3.47 -0.98 0.99 0.20 -1.26 -4.51 118.68 116.59 3jw0 s LEU 835 Ca 0.00 1.81 -0.01 0.00 0.69 0.00 0.00 54.13 56.63 3jw0 s LEU 835 Cb 0.00 -4.53 0.32 0.00 -0.43 0.00 0.00 46.19 41.55 3jw0 s LEU 835 CO 0.00 -1.21 1.68 0.61 -0.29 0.00 0.00 176.35 177.15 3jw0 n GLY 836 N -1.02 5.98 3.75 7.98 0.00 -1.26 -5.03 105.19 115.59 3jw0 n GLY 836 Ca 0.09 -2.61 -0.41 0.00 0.00 0.00 0.00 46.02 43.08 3jw0 n GLY 836 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3jw0 s ASP 837 N -1.64 6.87 0.19 1.61 1.01 -1.26 -4.94 116.67 118.51 3jw0 s ASP 837 Ca 0.39 2.52 -0.30 0.00 0.71 0.00 0.00 52.55 55.88 3jw0 s ASP 837 Cb 0.19 -2.63 -0.08 0.00 1.01 0.00 0.00 42.92 41.41 3jw0 s ASP 837 CO -0.11 -0.50 0.98 -0.69 0.21 0.00 0.00 175.17 175.07 3jw0 s VAL 838 N -0.55 4.14 -1.25 -1.27 1.01 -1.26 -4.98 120.40 116.24 3jw0 s VAL 838 Ca 0.52 1.97 -0.16 0.00 0.00 0.00 0.00 61.98 64.31 3jw0 s VAL 838 Cb -0.38 -4.26 0.11 0.00 0.00 0.00 0.00 36.38 31.86 3jw0 s VAL 838 CO 0.45 0.40 1.61 -0.62 0.00 0.00 0.00 175.10 176.93 3jw0 s ASP 839 N -0.61 6.92 0.59 3.32 2.15 -1.26 -4.87 116.67 122.91 3jw0 s ASP 839 Ca 0.44 -2.65 0.32 0.00 0.43 0.00 0.00 52.55 51.09 3jw0 s ASP 839 Cb -0.26 -2.51 1.19 0.00 -0.30 0.00 0.00 42.92 41.04 3jw0 s ASP 839 CO 0.32 -1.01 1.48 0.58 -0.17 0.00 0.00 175.17 176.38 3jw0 h VAL 840 N 5.23 0.09 0.31 1.11 2.07 -1.99 0.12 116.25 123.19 3jw0 h VAL 840 Ca 0.39 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.89 3jw0 h VAL 840 Cb 0.88 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 3jw0 h VAL 840 CO 1.37 0.00 -0.15 -1.13 0.02 0.00 0.00 177.57 177.68 3jw0 h ASN 841 N 0.00 -0.35 -0.92 0.57 -0.00 -2.00 -2.75 115.58 110.12 3jw0 h ASN 841 Ca 0.52 -0.19 0.02 0.00 -0.00 0.00 0.00 56.30 56.66 3jw0 h ASN 841 Cb 2.73 0.09 -0.05 0.00 -0.00 0.00 0.00 38.32 41.09 3jw0 h ASN 841 CO -0.01 0.10 0.61 -0.78 -0.00 0.00 0.00 177.43 177.35 3jw0 h ASP 842 N -0.92 1.03 -0.17 1.15 3.58 -1.42 0.84 116.42 120.51 3jw0 h ASP 842 Ca -0.04 -0.02 0.05 0.00 0.42 0.00 0.00 57.03 57.44 3jw0 h ASP 842 Cb 0.51 -0.24 -0.05 0.00 1.72 0.00 0.00 39.33 41.27 3jw0 h ASP 842 CO 0.07 0.72 -0.16 -0.25 -2.88 0.00 0.00 179.24 176.74 3jw0 h TRP 843 N 1.20 -0.40 -0.04 0.28 2.91 -1.36 -2.38 115.95 116.16 3jw0 h TRP 843 Ca 0.36 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.39 3jw0 h TRP 843 Cb -0.05 0.20 -0.00 0.00 -0.51 0.00 0.00 29.16 28.80 3jw0 h TRP 843 CO -0.00 -0.23 -0.03 -0.09 -1.03 0.00 0.00 178.44 177.06 3jw0 h ARG 844 N -0.18 0.09 0.00 2.65 2.43 -1.15 -3.13 114.38 115.08 3jw0 h ARG 844 Ca 0.11 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3jw0 h ARG 844 Cb 0.34 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 3jw0 h ARG 844 CO -0.27 0.53 0.14 0.94 -1.51 0.00 0.00 179.97 179.80 3jw0 n GLN 845 N -4.80 0.02 -1.24 0.20 7.27 0.25 -1.28 117.38 117.80 3jw0 n GLN 845 Ca -0.08 0.40 0.04 0.00 0.07 0.00 0.00 57.00 57.43 3jw0 n GLN 845 Cb 0.26 -1.70 0.09 0.00 2.41 0.00 0.00 30.24 31.31 3jw0 n GLN 845 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 3jw0 n HIS 846 N -1.49 0.16 -3.95 3.69 8.25 -0.92 -5.05 115.22 115.91 3jw0 n HIS 846 Ca -0.00 -1.02 -0.28 0.00 -0.26 0.00 0.00 57.72 56.15 3jw0 n HIS 846 Cb 0.15 -0.20 -0.04 0.00 1.12 0.00 0.00 29.99 31.02 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 -2.62 6.27 0.12 0.41 0.01 -0.41 -4.02 113.70 113.46 3jw0 s SER 847 Ca 0.36 0.19 0.07 0.00 1.31 0.00 0.00 55.95 57.88 3jw0 s SER 847 Cb 0.38 -1.89 -0.04 0.00 0.21 0.00 0.00 66.02 64.68 3jw0 s SER 847 CO -0.12 0.10 -0.17 0.27 0.41 0.00 0.00 173.24 173.74 3jw0 s ILE 848 N -1.63 1.51 0.00 1.44 -4.36 0.27 -4.99 121.20 113.44 3jw0 s ILE 848 Ca 0.34 -1.65 0.08 0.00 -0.26 0.00 0.00 60.65 59.16 3jw0 s ILE 848 Cb -0.12 -1.54 -0.02 0.00 1.25 0.00 0.00 42.46 42.03 3jw0 s ILE 848 CO 0.28 -0.27 -0.25 -0.31 0.24 0.00 0.00 174.94 174.63 3jw0 s TYR 849 N -1.72 2.36 0.12 1.37 2.02 -1.26 -2.10 117.35 118.14 3jw0 s TYR 849 Ca 0.08 -0.41 0.08 0.00 -0.37 0.00 0.00 57.07 56.46 3jw0 s TYR 849 Cb -0.07 -1.47 -0.04 0.00 -0.40 0.00 0.00 41.96 39.98 3jw0 s TYR 849 CO 0.04 0.04 -0.20 0.15 -1.57 0.00 0.00 175.55 174.01 3jw0 s LYS 850 N -0.84 1.15 -0.71 -0.62 1.02 -0.68 -4.84 119.74 114.21 3jw0 s LYS 850 Ca 0.11 -1.22 -0.07 0.00 0.02 0.00 0.00 55.97 54.81 3jw0 s LYS 850 Cb -0.10 -1.34 0.01 0.00 -0.52 0.00 0.00 37.83 35.88 3jw0 s LYS 850 CO 0.00 0.30 0.64 -1.71 -0.92 0.00 0.00 175.35 173.67 3jw0 n ASN 851 N 0.86 -6.32 0.00 2.83 5.15 -1.26 -2.60 115.26 113.92 3jw0 n ASN 851 Ca -0.18 -0.39 0.00 0.00 -0.60 0.00 0.00 54.58 53.41 3jw0 n ASN 851 Cb 0.55 -3.37 0.00 0.00 -0.53 0.00 0.00 39.78 36.43 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 -1.37 0.79 3.64 8.20 0.00 -1.26 -3.19 105.19 112.00 3jw0 n GLY 852 Ca -0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.61 2.63 0.29 1.61 2.02 -1.25 -4.96 117.35 115.08 3jw0 s TYR 853 Ca 0.00 -0.29 -0.17 0.00 -0.37 0.00 0.00 57.07 56.25 3jw0 s TYR 853 Cb 0.00 -1.27 0.02 0.00 -0.40 0.00 0.00 41.96 40.30 3jw0 s TYR 853 CO 0.00 0.57 0.63 0.00 -1.57 0.00 0.00 175.55 175.19 3jw0 h PRO 855 N 2.09 0.00 -0.01 0.00 0.11 -1.99 -2.51 132.00 129.69 3jw0 h PRO 855 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 3jw0 h PRO 855 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3jw0 h PRO 855 CO 0.30 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.36 3jw0 n ASN 856 N -3.89 1.81 -4.74 -2.05 6.94 -1.26 -4.67 115.26 107.39 3jw0 n ASN 856 Ca 0.16 -1.78 -0.41 0.00 -0.02 0.00 0.00 54.58 52.52 3jw0 n ASN 856 Cb 0.94 -0.01 -0.02 0.00 -2.36 0.00 0.00 39.78 38.34 3jw0 n ASN 856 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 3jw0 s HIS 857 N -0.78 3.02 0.33 -2.53 2.46 -0.95 -4.77 115.29 112.06 3jw0 s HIS 857 Ca 0.01 0.96 0.11 0.00 0.47 0.00 0.00 55.06 56.61 3jw0 s HIS 857 Cb 0.00 -3.84 0.98 0.00 -0.13 0.00 0.00 32.58 29.59 3jw0 s HIS 857 CO 0.00 -2.80 1.66 -1.00 -2.47 0.00 0.00 174.74 170.14 3jw0 h PRO 858 N 5.30 0.28 -0.44 2.88 0.13 -1.95 0.19 132.00 138.38 3jw0 h PRO 858 Ca -0.45 -0.02 -0.11 0.00 -0.87 0.00 0.00 66.00 64.55 3jw0 h PRO 858 Cb 1.22 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 3jw0 h PRO 858 CO 0.80 0.18 -0.17 0.28 -0.23 0.00 0.00 178.00 178.86 3jw0 h VAL 859 N 0.29 1.27 -0.31 1.56 2.07 -1.93 0.29 116.25 119.48 3jw0 h VAL 859 Ca 0.68 -1.29 -0.09 0.00 0.82 0.00 0.00 66.70 66.83 3jw0 h VAL 859 Cb 1.51 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 32.38 3jw0 h VAL 859 CO -0.63 0.44 -0.15 0.40 0.02 0.00 0.00 177.57 177.66 3jw0 h ILE 860 N 0.76 1.29 -1.01 4.57 5.03 -1.38 -1.28 117.51 125.49 3jw0 h ILE 860 Ca 0.11 -1.25 0.07 0.00 -0.12 0.00 0.00 64.86 63.67 3jw0 h ILE 860 Cb 0.70 1.45 -0.07 0.00 -3.03 0.00 0.00 36.82 35.87 3jw0 h ILE 860 CO 0.05 0.40 0.65 -0.61 -0.68 0.00 0.00 178.15 177.96 3jw0 h GLN 861 N 0.40 1.14 -0.54 2.37 5.75 -0.81 -1.14 115.11 122.28 3jw0 h GLN 861 Ca 0.07 -0.07 -0.09 0.00 -0.15 0.00 0.00 58.65 58.41 3jw0 h GLN 861 Cb 0.67 -0.26 -0.02 0.00 1.07 0.00 0.00 27.48 28.95 3jw0 h GLN 861 CO 0.04 0.75 -0.03 -1.49 -2.65 0.00 0.00 178.83 175.46 3jw0 h TRP 862 N 1.17 1.07 0.18 3.99 6.55 -0.68 -2.95 115.95 125.29 3jw0 h TRP 862 Ca 0.44 -0.20 -0.01 0.00 0.95 0.00 0.00 58.89 60.07 3jw0 h TRP 862 Cb 0.18 -0.28 -0.00 0.00 -0.86 0.00 0.00 29.16 28.20 3jw0 h TRP 862 CO -0.00 0.98 -0.12 0.35 -1.05 0.00 0.00 178.44 178.60 3jw0 h PHE 863 N 0.86 -0.31 -0.17 0.49 3.57 -0.02 -1.00 116.94 120.35 3jw0 h PHE 863 Ca 0.15 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.70 3jw0 h PHE 863 Cb 0.57 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.42 3jw0 h PHE 863 CO 0.04 -0.17 0.65 -1.49 -2.23 0.00 0.00 178.31 175.11 3jw0 h TRP 864 N -0.28 0.00 0.10 0.41 -0.00 -1.49 -0.30 115.95 114.39 3jw0 h TRP 864 Ca -0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 58.86 3jw0 h TRP 864 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.39 3jw0 h TRP 864 CO 0.04 0.00 -0.05 -0.22 -0.00 0.00 0.00 178.44 178.21 3jw0 h LYS 865 N 0.00 -0.13 -0.70 0.49 1.63 -1.17 -3.20 116.57 113.49 3jw0 h LYS 865 Ca 0.08 0.01 0.20 0.00 -0.85 0.00 0.00 60.65 60.09 3jw0 h LYS 865 Cb 1.37 0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 33.01 3jw0 h LYS 865 CO -0.00 -0.09 0.79 0.00 -3.45 0.00 0.00 179.45 176.70 3jw0 h ALA 866 N -1.73 2.50 -0.29 5.00 0.00 0.20 0.16 119.26 125.11 3jw0 h ALA 866 Ca -0.01 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 3jw0 h ALA 866 Cb 0.11 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3jw0 h ALA 866 CO 0.02 -1.15 -0.05 0.28 0.00 0.00 0.00 179.25 178.35 3jw0 h VAL 867 N 0.00 1.28 -0.45 0.00 2.07 -1.27 -3.03 116.25 114.85 3jw0 h VAL 867 Ca 0.33 -1.06 -0.07 0.00 0.82 0.00 0.00 66.70 66.72 3jw0 h VAL 867 Cb 1.91 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 33.05 3jw0 h VAL 867 CO -0.00 0.34 -0.02 -0.07 0.02 0.00 0.00 177.57 177.83 3jw0 h LEU 868 N 0.31 0.71 0.60 2.57 3.38 -0.67 -3.24 115.31 118.98 3jw0 h LEU 868 Ca 0.07 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 3jw0 h LEU 868 Cb 0.52 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3jw0 h LEU 868 CO 0.03 0.80 -0.38 -0.07 0.09 0.00 0.00 178.44 178.90 3jw0 h LEU 869 N 0.69 -0.96 -9.95 1.67 3.38 -1.45 -3.42 115.31 105.27 3jw0 h LEU 869 Ca 0.13 0.06 -0.54 0.00 0.09 0.00 0.00 57.88 57.62 3jw0 h LEU 869 Cb 0.46 0.28 0.10 0.00 0.09 0.00 0.00 40.66 41.60 3jw0 h LEU 869 CO 0.02 -0.59 0.72 0.00 0.09 0.00 0.00 178.44 178.68 3jw0 s MET 870 N -6.01 3.97 0.33 1.13 0.23 -1.15 -4.99 119.30 112.81 3jw0 s MET 870 Ca -0.18 2.43 -0.06 0.00 -1.03 0.00 0.00 55.69 56.85 3jw0 s MET 870 Cb 0.04 -2.84 0.08 0.00 -1.53 0.00 0.00 34.83 30.58 3jw0 s MET 870 CO 0.62 -0.59 0.25 -0.40 -2.03 0.00 0.00 175.02 172.87 3jw0 n ASP 871 N 0.22 -1.82 0.17 -1.18 5.75 -1.26 -4.73 116.55 113.69 3jw0 n ASP 871 Ca 0.03 -0.47 -0.11 0.00 -0.01 0.00 0.00 54.79 54.22 3jw0 n ASP 871 Cb 0.41 -0.25 -0.06 0.00 -1.03 0.00 0.00 41.12 40.19 3jw0 n ASP 871 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3jw0 h ALA 872 N -2.28 -0.98 -0.64 2.12 0.00 -1.95 -2.65 119.26 112.87 3jw0 h ALA 872 Ca -0.10 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.76 3jw0 h ALA 872 Cb 0.32 0.57 -0.09 0.00 0.00 0.00 0.00 17.79 18.59 3jw0 h ALA 872 CO 0.06 -1.00 -0.52 1.49 0.00 0.00 0.00 179.25 179.28 3jw0 h GLU 873 N -0.60 -0.16 -0.15 0.00 4.22 -1.98 0.23 114.58 116.14 3jw0 h GLU 873 Ca -0.03 0.01 0.04 0.00 0.08 0.00 0.00 59.36 59.46 3jw0 h GLU 873 Cb 0.53 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 3jw0 h GLU 873 CO -0.06 -0.11 0.14 0.87 -2.18 0.00 0.00 179.01 177.68 3jw0 h LYS 874 N -0.17 0.00 0.00 1.92 1.57 -1.92 -0.92 116.57 117.04 3jw0 h LYS 874 Ca 0.11 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.80 3jw0 h LYS 874 Cb 0.45 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 3jw0 h LYS 874 CO -0.70 0.00 -0.39 -0.09 -0.57 0.00 0.00 179.45 177.71 3jw0 h ARG 875 N 0.00 0.00 0.11 3.15 2.43 -0.19 -2.82 114.38 117.06 3jw0 h ARG 875 Ca 0.07 0.00 -0.31 0.00 -0.81 0.00 0.00 59.98 58.93 3jw0 h ARG 875 Cb 0.35 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 3jw0 h ARG 875 CO -0.00 0.39 -1.58 0.82 -1.51 0.00 0.00 179.97 178.09 3jw0 h ILE 876 N 0.00 1.10 0.46 1.20 2.04 -0.61 -3.03 117.51 118.67 3jw0 h ILE 876 Ca -0.00 -2.76 -0.01 0.00 1.00 0.00 0.00 64.86 63.09 3jw0 h ILE 876 Cb 0.88 2.72 -0.02 0.00 -0.74 0.00 0.00 36.82 39.66 3jw0 h ILE 876 CO 0.05 0.80 -0.37 0.03 0.00 0.00 0.00 178.15 178.66 3jw0 h ARG 877 N 0.06 -0.80 -0.53 2.37 2.47 -1.45 -1.34 114.38 115.16 3jw0 h ARG 877 Ca -0.26 0.05 0.09 0.00 -1.26 0.00 0.00 59.98 58.60 3jw0 h ARG 877 Cb 2.02 0.18 -0.10 0.00 -1.65 0.00 0.00 29.97 30.41 3jw0 h ARG 877 CO 0.15 -0.53 -0.40 1.25 0.56 0.00 0.00 179.97 181.00 3jw0 h LEU 878 N -0.83 -1.37 -1.65 3.04 5.85 -1.62 0.55 115.31 119.28 3jw0 h LEU 878 Ca -0.05 0.23 0.24 0.00 0.84 0.00 0.00 57.88 59.14 3jw0 h LEU 878 Cb 0.72 0.63 -0.06 0.00 0.37 0.00 0.00 40.66 42.31 3jw0 h LEU 878 CO -0.01 -0.33 0.64 0.25 -0.34 0.00 0.00 178.44 178.64 3jw0 h LEU 879 N -0.24 0.28 0.02 2.25 5.85 -1.33 -2.52 115.31 119.62 3jw0 h LEU 879 Ca 0.18 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 3jw0 h LEU 879 Cb 0.56 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.58 3jw0 h LEU 879 CO -0.65 0.09 -0.01 -0.61 -0.34 0.00 0.00 178.44 176.92 3jw0 h GLN 880 N 0.27 -0.03 -0.60 1.25 4.15 0.10 -1.42 115.11 118.83 3jw0 h GLN 880 Ca 0.48 0.00 0.17 0.00 0.77 0.00 0.00 58.65 60.08 3jw0 h GLN 880 Cb 1.44 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 29.11 3jw0 h GLN 880 CO -0.14 0.38 1.02 0.35 -1.93 0.00 0.00 178.83 178.51 3jw0 h PHE 881 N -0.99 0.00 0.00 3.99 3.57 0.12 0.70 116.94 124.32 3jw0 h PHE 881 Ca -0.00 0.00 -0.38 0.00 3.53 0.00 0.00 57.97 61.12 3jw0 h PHE 881 Cb 0.42 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.10 3jw0 h PHE 881 CO 0.11 0.00 -2.28 0.28 -2.23 0.00 0.00 178.31 174.19 3jw0 n VAL 882 N -3.05 1.26 0.05 1.41 0.31 -0.98 -4.70 118.33 112.64 3jw0 n VAL 882 Ca 0.13 -0.35 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 3jw0 n VAL 882 Cb 1.21 -1.72 -0.06 0.00 -0.91 0.00 0.00 33.84 32.35 3jw0 n VAL 882 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 3jw0 h THR 883 N -0.69 0.59 0.00 2.52 1.35 -0.49 -3.30 112.91 112.89 3jw0 h THR 883 Ca -0.57 -2.06 0.00 0.00 -0.55 0.00 0.00 66.41 63.23 3jw0 h THR 883 Cb 1.55 2.12 0.00 0.00 -1.73 0.00 0.00 68.15 70.09 3jw0 h THR 883 CO -0.31 0.33 0.00 0.61 -0.25 0.00 0.00 175.52 175.91 3jw0 n GLY 884 N 1.36 1.91 3.32 5.82 0.00 0.24 -4.69 105.19 113.15 3jw0 n GLY 884 Ca -0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.41 1.74 -2.10 2.61 -1.32 -1.25 -4.94 115.64 107.96 3jw0 s THR 885 Ca 0.00 -1.93 0.22 0.00 -1.21 0.00 0.00 61.69 58.77 3jw0 s THR 885 Cb 0.00 -1.83 0.59 0.00 -1.51 0.00 0.00 72.50 69.75 3jw0 s THR 885 CO 0.00 -0.37 1.50 -1.54 -2.21 0.00 0.00 174.62 172.00 3jw0 n SER 886 N 0.23 3.72 -4.61 8.08 3.41 -1.26 -3.12 113.62 120.06 3jw0 n SER 886 Ca -0.13 -2.00 -0.23 0.00 -0.26 0.00 0.00 58.87 56.26 3jw0 n SER 886 Cb 0.57 -0.43 -0.08 0.00 -0.26 0.00 0.00 64.21 64.02 3jw0 n SER 886 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3jw0 s ARG 887 N -1.15 2.17 0.02 4.33 1.81 -1.26 -4.92 118.95 119.95 3jw0 s ARG 887 Ca 0.46 -1.49 0.06 0.00 -1.72 0.00 0.00 55.73 53.03 3jw0 s ARG 887 Cb 0.24 -2.08 -0.03 0.00 -0.45 0.00 0.00 34.95 32.63 3jw0 s ARG 887 CO 0.32 0.35 -0.17 0.08 -0.68 0.00 0.00 175.30 175.20 3jw0 s VAL 888 N -2.37 2.88 0.91 3.52 1.01 -1.26 -4.95 120.40 120.15 3jw0 s VAL 888 Ca 0.31 -1.06 -0.11 0.00 0.00 0.00 0.00 61.98 61.13 3jw0 s VAL 888 Cb -0.06 -2.19 0.12 0.00 0.00 0.00 0.00 36.38 34.25 3jw0 s VAL 888 CO 0.19 0.40 1.02 -0.81 0.00 0.00 0.00 175.10 175.90 3jw0 n PRO 889 N 1.73 -0.37 0.18 2.72 -0.04 -1.26 -4.88 135.00 133.07 3jw0 n PRO 889 Ca -0.16 -0.04 0.13 0.00 -0.04 0.00 0.00 63.50 63.38 3jw0 n PRO 889 Cb 0.52 -2.29 0.68 0.00 -0.04 0.00 0.00 33.50 32.37 3jw0 n PRO 889 CO 0.00 0.00 0.00 1.98 -0.04 0.00 0.00 175.50 177.44 3jw0 h MET 890 N -1.75 0.00 0.00 0.54 1.85 -1.92 -3.31 114.93 110.34 3jw0 h MET 890 Ca -0.43 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.66 3jw0 h MET 890 Cb 1.28 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.31 3jw0 h MET 890 CO 0.40 0.00 -0.40 -0.91 -0.40 0.00 0.00 176.91 175.60 3jw0 h ASN 891 N 0.00 0.00 -2.03 1.39 2.35 -1.93 -3.51 115.58 111.84 3jw0 h ASN 891 Ca 0.09 0.00 0.40 0.00 -0.55 0.00 0.00 56.30 56.24 3jw0 h ASN 891 Cb 0.35 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 38.65 3jw0 h ASN 891 CO -0.00 0.69 1.00 0.61 -1.65 0.00 0.00 177.43 178.07 3jw0 n GLY 892 N 1.65 0.11 0.07 2.83 0.00 -1.25 -4.95 105.19 103.65 3jw0 n GLY 892 Ca -0.06 -1.02 0.08 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.98 0.38 -0.12 1.61 3.72 -1.26 -2.15 117.46 118.66 3jw0 n PHE 893 Ca 0.06 0.16 -0.08 0.00 -0.05 0.00 0.00 57.45 57.54 3jw0 n PHE 893 Cb 0.58 -0.76 -0.00 0.00 -0.94 0.00 0.00 39.48 38.36 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 2.27 0.49 -0.63 4.37 0.00 -1.89 -2.39 119.26 121.47 3jw0 h ALA 894 Ca 0.00 -0.05 -0.50 0.00 0.00 0.00 0.00 54.91 54.36 3jw0 h ALA 894 Cb 0.21 -0.15 -0.19 0.00 0.00 0.00 0.00 17.79 17.65 3jw0 h ALA 894 CO 0.00 -0.03 0.54 0.39 0.00 0.00 0.00 179.25 180.15 3jw0 n GLU 895 N -4.79 2.30 -3.23 0.00 -0.58 -0.91 -4.85 120.64 108.58 3jw0 n GLU 895 Ca 0.00 -2.37 -0.37 0.00 -0.42 0.00 0.00 57.16 54.00 3jw0 n GLU 895 Cb 0.05 -2.02 -0.06 0.00 -0.57 0.00 0.00 31.44 28.84 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 -2.50 4.45 0.35 -4.62 0.20 -0.90 -4.71 118.68 110.96 3jw0 s LEU 896 Ca 0.51 1.29 0.03 0.00 0.69 0.00 0.00 54.13 56.65 3jw0 s LEU 896 Cb 0.36 -3.16 -0.05 0.00 -0.43 0.00 0.00 46.19 42.91 3jw0 s LEU 896 CO -0.16 0.18 0.08 -0.31 -0.29 0.00 0.00 176.35 175.85 3jw0 s TYR 897 N -1.28 1.88 0.32 5.38 1.51 -1.25 -1.63 117.35 122.27 3jw0 s TYR 897 Ca 0.35 -1.07 0.03 0.00 -1.01 0.00 0.00 57.07 55.36 3jw0 s TYR 897 Cb -0.18 -1.23 -0.01 0.00 -0.11 0.00 0.00 41.96 40.43 3jw0 s TYR 897 CO 0.20 -0.10 0.36 0.41 -1.11 0.00 0.00 175.55 175.31 3jw0 n GLY 898 N -0.76 2.60 0.31 0.71 0.00 0.36 -4.61 105.19 103.80 3jw0 n GLY 898 Ca -0.04 -1.75 0.03 0.00 0.00 0.00 0.00 46.02 44.26 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 1.90 -0.77 -0.69 1.61 0.02 -1.86 -0.70 113.55 113.05 3jw0 h SER 899 Ca -0.24 0.25 -0.20 0.00 -0.84 0.00 0.00 61.79 60.76 3jw0 h SER 899 Cb 1.13 0.52 -0.12 0.00 0.14 0.00 0.00 62.40 64.06 3jw0 h SER 899 CO 0.33 -0.28 0.24 0.59 -1.14 0.00 0.00 176.83 176.58 3jw0 n ASN 900 N -5.54 4.62 0.00 3.07 5.03 -1.26 -5.01 115.26 116.17 3jw0 n ASN 900 Ca 0.12 -3.25 0.00 0.00 0.87 0.00 0.00 54.58 52.32 3jw0 n ASN 900 Cb 0.43 -0.73 0.00 0.00 -1.02 0.00 0.00 39.78 38.46 3jw0 n ASN 900 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3jw0 n GLY 901 N -0.26 0.40 3.63 7.41 0.00 -0.27 -5.04 105.19 111.05 3jw0 n GLY 901 Ca 0.40 -2.27 -0.48 0.00 0.00 0.00 0.00 46.02 43.66 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 1.64 -3.19 1.61 -0.02 -1.26 0.13 135.00 133.92 3jw0 n PRO 902 Ca 0.00 0.59 0.04 0.00 -2.02 0.00 0.00 63.50 62.11 3jw0 n PRO 902 Cb 0.00 -2.26 -0.01 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 0.40 0.53 0.72 -0.52 2.00 -0.65 -4.72 119.66 117.43 3jw0 s GLN 903 Ca 0.79 0.97 -0.11 0.00 -2.00 0.00 0.00 55.36 55.00 3jw0 s GLN 903 Cb -0.80 0.54 0.02 0.00 0.80 0.00 0.00 33.01 33.58 3jw0 s GLN 903 CO 0.45 -0.54 1.07 -0.51 -0.50 0.00 0.00 175.29 175.25 3jw0 s LEU 904 N 2.87 2.95 0.32 3.68 1.43 -1.26 -3.90 118.68 124.77 3jw0 s LEU 904 Ca 0.17 1.48 -0.29 0.00 -1.03 0.00 0.00 54.13 54.45 3jw0 s LEU 904 Cb -0.14 -4.28 -0.12 0.00 0.03 0.00 0.00 46.19 41.68 3jw0 s LEU 904 CO -0.20 -1.57 1.50 0.33 0.23 0.00 0.00 176.35 176.64 3jw0 n PHE 905 N -3.20 2.76 -4.03 0.29 7.35 -1.26 -4.82 117.46 114.55 3jw0 n PHE 905 Ca 0.07 0.38 -0.12 0.00 -0.76 0.00 0.00 57.45 57.02 3jw0 n PHE 905 Cb 0.55 -2.54 -0.12 0.00 0.35 0.00 0.00 39.48 37.72 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 -0.53 0.35 -0.04 -2.13 2.01 -0.54 -0.57 115.64 114.18 3jw0 s THR 906 Ca 0.60 -0.86 -0.00 0.00 0.31 0.00 0.00 61.69 61.74 3jw0 s THR 906 Cb -0.51 -0.42 0.03 0.00 0.01 0.00 0.00 72.50 71.60 3jw0 s THR 906 CO 0.56 -0.34 0.01 -0.63 -0.69 0.00 0.00 174.62 173.52 3jw0 s ILE 907 N -1.17 0.20 -0.04 1.82 1.01 -0.89 0.08 121.20 122.21 3jw0 s ILE 907 Ca -0.10 0.13 0.05 0.00 0.00 0.00 0.00 60.65 60.73 3jw0 s ILE 907 Cb -0.08 -0.34 -0.01 0.00 0.01 0.00 0.00 42.46 42.04 3jw0 s ILE 907 CO -0.00 0.18 -0.18 -1.83 0.00 0.00 0.00 174.94 173.11 3jw0 s GLU 908 N 1.42 1.75 0.08 2.79 -1.05 -0.79 -1.69 118.70 121.22 3jw0 s GLU 908 Ca -0.04 -0.63 -0.32 0.00 -0.15 0.00 0.00 54.97 53.83 3jw0 s GLU 908 Cb -0.13 -1.55 -0.11 0.00 -0.44 0.00 0.00 34.13 31.90 3jw0 s GLU 908 CO -0.03 0.28 1.86 0.94 0.95 0.00 0.00 175.26 179.26 3jw0 n GLN 909 N 3.02 2.70 -3.63 -4.83 7.27 -1.07 -2.99 117.38 117.85 3jw0 n GLN 909 Ca -0.17 0.98 -0.15 0.00 0.07 0.00 0.00 57.00 57.73 3jw0 n GLN 909 Cb 0.53 -2.88 -0.07 0.00 2.41 0.00 0.00 30.24 30.23 3jw0 n GLN 909 CO 0.00 0.00 0.00 -0.46 0.07 0.00 0.00 177.06 176.67 3jw0 s TRP 910 N 3.14 -0.67 0.00 3.69 -0.00 -1.00 -4.93 118.94 119.17 3jw0 s TRP 910 Ca 0.84 1.52 0.00 0.00 -0.00 0.00 0.00 56.10 58.46 3jw0 s TRP 910 Cb -0.51 0.27 0.00 0.00 -0.00 0.00 0.00 33.47 33.23 3jw0 s TRP 910 CO 0.40 -0.40 0.00 0.41 -0.00 0.00 0.00 176.95 177.36 3jw0 n GLY 911 N 2.26 -2.50 3.77 5.86 0.00 -1.26 -1.92 105.19 111.40 3jw0 n GLY 911 Ca -0.15 -1.62 -0.27 0.00 0.00 0.00 0.00 46.02 43.98 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 -2.24 5.36 0.00 1.61 1.04 -1.26 -4.32 113.70 113.88 3jw0 s SER 912 Ca 0.00 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.26 3jw0 s SER 912 Cb 0.00 -1.36 0.00 0.00 0.10 0.00 0.00 66.02 64.76 3jw0 s SER 912 CO 0.00 0.08 0.65 -2.65 0.98 0.00 0.00 173.24 172.31 3jw0 n PRO 913 N -0.22 0.00 0.20 4.02 -0.02 -1.26 -1.30 135.00 136.42 3jw0 n PRO 913 Ca -0.09 0.20 -0.08 0.00 -2.02 0.00 0.00 63.50 61.51 3jw0 n PRO 913 Cb 0.54 -1.70 -0.04 0.00 -0.02 0.00 0.00 33.50 32.28 3jw0 n PRO 913 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3jw0 h GLU 914 N 0.00 -0.52 -6.53 -0.52 4.39 -1.97 -3.46 114.58 105.97 3jw0 h GLU 914 Ca 0.00 0.04 -0.60 0.00 0.34 0.00 0.00 59.36 59.13 3jw0 h GLU 914 Cb 0.41 0.12 0.09 0.00 -0.10 0.00 0.00 28.75 29.27 3jw0 h GLU 914 CO 0.00 -0.35 0.40 1.63 -1.16 0.00 0.00 179.01 179.53 3jw0 n LYS 915 N -4.32 1.68 -2.76 2.33 4.76 -0.42 -4.99 118.16 114.45 3jw0 n LYS 915 Ca -0.07 0.60 -0.33 0.00 -2.87 0.00 0.00 58.31 55.64 3jw0 n LYS 915 Cb 0.21 -2.13 -0.06 0.00 -1.84 0.00 0.00 35.03 31.21 3jw0 n LYS 915 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3jw0 s LEU 916 N 0.13 3.88 0.56 -0.35 1.43 -1.26 -4.78 118.68 118.29 3jw0 s LEU 916 Ca 0.65 1.61 -0.21 0.00 -1.03 0.00 0.00 54.13 55.15 3jw0 s LEU 916 Cb -0.69 -4.47 -0.05 0.00 0.03 0.00 0.00 46.19 41.00 3jw0 s LEU 916 CO 0.55 -0.40 1.25 -0.81 0.23 0.00 0.00 176.35 177.17 3jw0 n PRO 917 N -0.84 1.44 -4.16 1.29 -0.04 -1.26 -4.96 135.00 126.46 3jw0 n PRO 917 Ca 0.06 0.53 -0.27 0.00 -0.04 0.00 0.00 63.50 63.79 3jw0 n PRO 917 Cb 0.54 -2.45 -0.05 0.00 -0.04 0.00 0.00 33.50 31.50 3jw0 n PRO 917 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3jw0 s ARG 918 N -2.85 2.24 -0.18 0.54 0.52 -0.88 -4.96 118.95 113.38 3jw0 s ARG 918 Ca 0.73 -2.01 -0.14 0.00 -0.52 0.00 0.00 55.73 53.80 3jw0 s ARG 918 Cb -0.42 -1.94 0.05 0.00 0.52 0.00 0.00 34.95 33.16 3jw0 s ARG 918 CO 0.48 -0.33 0.46 0.00 0.02 0.00 0.00 175.30 175.93 3jw0 s ALA 919 N -2.71 -1.17 -0.99 2.13 0.00 -1.26 -1.08 121.76 116.67 3jw0 s ALA 919 Ca 0.32 1.49 -0.07 0.00 0.00 0.00 0.00 51.96 53.69 3jw0 s ALA 919 Cb 0.01 -0.88 0.25 0.00 0.00 0.00 0.00 23.12 22.50 3jw0 s ALA 919 CO 0.18 -0.25 0.94 -1.01 0.00 0.00 0.00 175.76 175.62 3jw0 s HIS 920 N 0.79 4.06 0.62 0.00 3.76 -0.83 -4.91 115.29 118.79 3jw0 s HIS 920 Ca -0.04 -2.71 0.27 0.00 -0.15 0.00 0.00 55.06 52.42 3jw0 s HIS 920 Cb -0.05 -3.63 1.34 0.00 1.11 0.00 0.00 32.58 31.34 3jw0 s HIS 920 CO -0.06 -0.89 1.76 1.79 -0.85 0.00 0.00 174.74 176.49 3jw0 h THR 921 N 3.99 0.18 -0.01 1.30 1.35 -1.83 0.49 112.91 118.39 3jw0 h THR 921 Ca 0.16 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.02 3jw0 h THR 921 Cb 0.88 0.51 0.00 0.00 -1.73 0.00 0.00 68.15 67.80 3jw0 h THR 921 CO 0.92 0.00 -0.10 -1.20 -0.25 0.00 0.00 175.52 174.89 3jw0 n SER 922 N -3.32 0.67 0.00 5.36 7.64 -1.26 -3.66 113.62 119.05 3jw0 n SER 922 Ca 0.07 -0.81 0.00 0.00 1.01 0.00 0.00 58.87 59.13 3jw0 n SER 922 Cb 0.72 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.90 3jw0 n SER 922 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3jw0 n PHE 923 N -0.73 0.00 -3.66 1.43 3.72 0.16 -3.51 117.46 114.86 3jw0 n PHE 923 Ca 0.16 -0.13 -0.27 0.00 -0.05 0.00 0.00 57.45 57.15 3jw0 n PHE 923 Cb 0.28 -0.01 0.02 0.00 -0.94 0.00 0.00 39.48 38.83 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 -0.13 -5.46 -4.00 4.37 3.02 -0.48 -4.74 115.26 107.84 3jw0 n ASN 924 Ca 0.00 -0.90 -0.13 0.00 -0.03 0.00 0.00 54.58 53.53 3jw0 n ASN 924 Cb 0.36 -3.03 -0.12 0.00 -0.61 0.00 0.00 39.78 36.38 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 -5.45 0.40 -0.22 3.52 3.52 -1.17 -1.47 118.95 118.09 3jw0 s ARG 925 Ca 0.29 -0.50 -0.02 0.00 -0.13 0.00 0.00 55.73 55.37 3jw0 s ARG 925 Cb -0.11 -0.21 0.01 0.00 -1.56 0.00 0.00 34.95 33.07 3jw0 s ARG 925 CO 0.87 0.04 -0.09 -1.17 -0.81 0.00 0.00 175.30 174.14 3jw0 s LEU 926 N -1.00 2.75 -0.84 -0.88 2.96 0.11 -1.96 118.68 119.82 3jw0 s LEU 926 Ca -0.07 -0.58 -0.19 0.00 -0.22 0.00 0.00 54.13 53.06 3jw0 s LEU 926 Cb -0.07 -1.65 0.12 0.00 0.50 0.00 0.00 46.19 45.09 3jw0 s LEU 926 CO -0.00 -0.04 1.04 -1.81 -1.32 0.00 0.00 176.35 174.22 3jw0 s ASP 927 N 1.39 6.49 -0.23 3.68 1.01 -0.24 -1.89 116.67 126.88 3jw0 s ASP 927 Ca 0.04 -1.77 -0.08 0.00 0.71 0.00 0.00 52.55 51.45 3jw0 s ASP 927 Cb -0.14 -2.39 -0.04 0.00 1.01 0.00 0.00 42.92 41.36 3jw0 s ASP 927 CO -0.06 -1.14 0.10 -0.22 0.21 0.00 0.00 175.17 174.05 3jw0 s LEU 928 N 2.93 3.72 0.84 1.23 2.96 -1.16 -2.08 118.68 127.11 3jw0 s LEU 928 Ca 0.28 -0.06 -0.10 0.00 -0.22 0.00 0.00 54.13 54.03 3jw0 s LEU 928 Cb -0.09 -1.99 0.10 0.00 0.50 0.00 0.00 46.19 44.71 3jw0 s LEU 928 CO -0.04 0.03 1.11 -2.84 -1.32 0.00 0.00 176.35 173.30 3jw0 s PRO 929 N 1.22 1.67 -1.22 0.98 0.02 -0.81 -2.38 135.00 134.48 3jw0 s PRO 929 Ca 0.05 1.28 -0.12 0.00 0.02 0.00 0.00 61.00 62.23 3jw0 s PRO 929 Cb -0.14 -1.82 0.18 0.00 0.02 0.00 0.00 34.50 32.74 3jw0 s PRO 929 CO 0.04 -2.09 1.52 -2.30 -0.33 0.00 0.00 177.00 173.84 3jw0 n PRO 930 N -3.84 3.47 -1.28 5.54 -0.02 -1.26 -4.86 135.00 132.75 3jw0 n PRO 930 Ca 0.10 -3.84 -0.35 0.00 -2.02 0.00 0.00 63.50 57.39 3jw0 n PRO 930 Cb 0.53 -2.97 0.11 0.00 -0.02 0.00 0.00 33.50 31.15 3jw0 n PRO 930 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3jw0 n TYR 931 N 4.92 1.32 0.00 6.00 4.01 -1.26 -4.55 117.16 127.60 3jw0 n TYR 931 Ca 0.36 0.41 0.00 0.00 -0.16 0.00 0.00 57.90 58.51 3jw0 n TYR 931 Cb 0.41 -2.14 0.00 0.00 -0.31 0.00 0.00 39.34 37.30 3jw0 n TYR 931 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3jw0 n GLU 932 N -2.77 0.00 -1.12 -0.72 4.71 -1.26 -4.93 120.64 114.54 3jw0 n GLU 932 Ca 0.14 0.34 0.00 0.00 -0.01 0.00 0.00 57.16 57.63 3jw0 n GLU 932 Cb 0.50 -1.33 0.00 0.00 -1.01 0.00 0.00 31.44 29.60 3jw0 n GLU 932 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 3jw0 n THR 933 N -1.53 0.00 0.02 2.62 -2.24 -1.26 -5.04 114.28 106.85 3jw0 n THR 933 Ca 0.00 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.72 3jw0 n THR 933 Cb 0.00 -0.78 -0.12 0.00 -2.10 0.00 0.00 70.33 67.34 3jw0 n THR 933 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 3jw0 h PHE 934 N 0.20 0.00 0.00 4.78 3.57 -2.00 -3.32 116.94 120.18 3jw0 h PHE 934 Ca 0.00 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.41 3jw0 h PHE 934 Cb 0.00 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 3jw0 h PHE 934 CO 0.00 0.92 -0.43 0.93 -2.23 0.00 0.00 178.31 177.50 3jw0 h GLU 935 N 0.00 0.00 -0.43 1.11 3.07 -1.98 -2.54 114.58 113.81 3jw0 h GLU 935 Ca -0.16 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.65 3jw0 h GLU 935 Cb 1.84 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.73 3jw0 h GLU 935 CO 0.09 0.43 0.05 -0.44 -1.40 0.00 0.00 179.01 177.74 3jw0 h ASP 936 N 0.00 0.70 0.13 1.42 3.32 -1.97 -1.15 116.42 118.88 3jw0 h ASP 936 Ca -0.00 -0.27 -0.01 0.00 0.02 0.00 0.00 57.03 56.77 3jw0 h ASP 936 Cb 0.92 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.28 3jw0 h ASP 936 CO 0.06 0.80 -0.07 0.25 -1.72 0.00 0.00 179.24 178.55 3jw0 h LEU 937 N 0.58 -0.17 -1.35 1.55 5.85 -1.63 0.12 115.31 120.25 3jw0 h LEU 937 Ca 0.13 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.86 3jw0 h LEU 937 Cb 0.41 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.49 3jw0 h LEU 937 CO 0.01 -0.11 0.36 -0.09 -0.34 0.00 0.00 178.44 178.27 3jw0 h ARG 938 N -0.18 0.00 0.07 1.25 2.43 -1.50 0.19 114.38 116.64 3jw0 h ARG 938 Ca -0.02 0.00 -0.32 0.00 -0.81 0.00 0.00 59.98 58.83 3jw0 h ARG 938 Cb 0.14 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 3jw0 h ARG 938 CO 0.02 0.00 -1.76 -1.91 -1.51 0.00 0.00 179.97 174.81 3jw0 n GLU 939 N -2.47 0.68 0.17 0.20 2.13 -0.43 -3.39 120.64 117.52 3jw0 n GLU 939 Ca -0.01 0.38 0.05 0.00 0.66 0.00 0.00 57.16 58.23 3jw0 n GLU 939 Cb 0.39 -1.71 0.16 0.00 0.27 0.00 0.00 31.44 30.55 3jw0 n GLU 939 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 3jw0 h LYS 940 N -0.37 0.00 0.23 5.31 6.56 0.53 -2.78 116.57 126.06 3jw0 h LYS 940 Ca -0.41 0.00 -0.30 0.00 -1.06 0.00 0.00 60.65 58.87 3jw0 h LYS 940 Cb 1.75 0.00 0.04 0.00 -0.57 0.00 0.00 32.23 33.44 3jw0 h LYS 940 CO -0.05 0.41 -1.33 1.25 -2.06 0.00 0.00 179.45 177.67 3jw0 h LEU 941 N 0.00 0.77 -0.56 2.94 5.85 -0.86 -2.52 115.31 120.93 3jw0 h LEU 941 Ca -0.00 -0.93 -0.06 0.00 0.84 0.00 0.00 57.88 57.73 3jw0 h LEU 941 Cb 1.18 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.93 3jw0 h LEU 941 CO 0.05 1.64 0.12 -0.07 -0.34 0.00 0.00 178.44 179.85 3jw0 h LEU 942 N 0.03 0.86 0.18 2.25 3.38 -1.62 0.13 115.31 120.53 3jw0 h LEU 942 Ca -0.23 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.49 3jw0 h LEU 942 Cb 2.06 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 42.56 3jw0 h LEU 942 CO 0.25 0.88 -0.32 0.24 0.09 0.00 0.00 178.44 179.58 3jw0 h MET 943 N 0.80 -0.51 -0.98 1.13 2.86 -1.54 -0.09 114.93 116.59 3jw0 h MET 943 Ca 0.17 0.04 0.21 0.00 -2.06 0.00 0.00 59.70 58.06 3jw0 h MET 943 Cb 0.37 0.12 -0.09 0.00 0.06 0.00 0.00 31.60 32.05 3jw0 h MET 943 CO 0.00 -0.34 0.62 0.00 1.06 0.00 0.00 176.91 178.25 3jw0 h ALA 944 N -1.07 1.99 -0.11 6.32 0.00 -1.26 -2.58 119.26 122.55 3jw0 h ALA 944 Ca -0.02 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3jw0 h ALA 944 Cb 0.50 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 3jw0 h ALA 944 CO -0.11 -0.34 -0.15 0.28 0.00 0.00 0.00 179.25 178.93 3jw0 h VAL 945 N 0.56 1.37 0.00 0.00 2.07 -0.11 -3.23 116.25 116.91 3jw0 h VAL 945 Ca 0.54 -1.37 0.00 0.00 0.82 0.00 0.00 66.70 66.69 3jw0 h VAL 945 Cb 1.13 2.02 0.00 0.00 -1.52 0.00 0.00 31.29 32.92 3jw0 h VAL 945 CO -0.29 0.39 0.00 -0.62 0.02 0.00 0.00 177.57 177.08 3jw0 n GLU 946 N -4.58 0.93 -2.81 1.57 1.02 -0.10 -3.76 120.64 112.90 3jw0 n GLU 946 Ca -0.07 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 56.97 3jw0 n GLU 946 Cb 0.37 -1.10 0.06 0.00 -0.02 0.00 0.00 31.44 30.76 3jw0 n GLU 946 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3jw0 n ASN 947 N 0.46 -1.02 -4.04 1.62 3.02 -1.22 -5.04 115.26 109.04 3jw0 n ASN 947 Ca 0.00 -3.11 -0.14 0.00 -0.03 0.00 0.00 54.58 51.30 3jw0 n ASN 947 Cb 0.43 0.81 -0.12 0.00 -0.61 0.00 0.00 39.78 40.29 3jw0 n ASN 947 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3jw0 s ALA 948 N -0.81 0.56 -2.00 5.41 0.00 -1.25 -5.00 121.76 118.68 3jw0 s ALA 948 Ca 0.27 -0.66 0.31 0.00 0.00 0.00 0.00 51.96 51.88 3jw0 s ALA 948 Cb 0.35 0.01 1.82 0.00 0.00 0.00 0.00 23.12 25.31 3jw0 s ALA 948 CO -0.05 0.01 2.15 0.00 0.00 0.00 0.00 175.76 177.87