#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fiq n THR 572 N 0.00 0.16 -1.88 5.18 -2.24 -1.26 -4.97 114.28 109.27 1fiq n THR 572 Ca 0.00 -0.58 -0.42 0.00 -2.27 0.00 0.00 64.05 60.78 1fiq n THR 572 Cb 0.00 1.25 -0.03 0.00 -2.10 0.00 0.00 70.33 69.45 1fiq n THR 572 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1fiq s VAL 573 N -1.49 2.44 0.00 2.28 1.01 -1.26 -1.54 120.40 121.84 1fiq s VAL 573 Ca 0.25 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.56 1fiq s VAL 573 Cb 0.17 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.34 1fiq s VAL 573 CO 0.24 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.98 1fiq n GLY 574 N 3.41 0.75 3.63 4.51 0.00 0.32 -5.00 105.19 112.81 1fiq n GLY 574 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 1fiq n GLY 574 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1fiq s ARG 575 N -0.51 2.54 -1.14 1.61 0.52 -0.59 -4.63 118.95 116.76 1fiq s ARG 575 Ca 0.00 -0.77 -0.13 0.00 -0.52 0.00 0.00 55.73 54.30 1fiq s ARG 575 Cb 0.00 -2.52 -0.07 0.00 0.52 0.00 0.00 34.95 32.88 1fiq s ARG 575 CO 0.00 0.58 2.25 -0.35 0.02 0.00 0.00 175.30 177.79 1fiq n PRO 576 N 1.14 2.41 -2.53 3.54 -0.04 -1.26 -4.31 135.00 133.94 1fiq n PRO 576 Ca -0.14 -1.99 -0.43 0.00 -0.04 0.00 0.00 63.50 60.91 1fiq n PRO 576 Cb 0.52 -2.86 -0.02 0.00 -0.04 0.00 0.00 33.50 31.10 1fiq n PRO 576 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1fiq s LEU 577 N 0.94 4.23 0.56 1.53 2.96 -1.26 -4.84 118.68 122.80 1fiq s LEU 577 Ca 0.52 1.66 -0.19 0.00 -0.22 0.00 0.00 54.13 55.91 1fiq s LEU 577 Cb 0.14 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 43.23 1fiq s LEU 577 CO -0.01 -0.60 1.15 -2.16 -1.32 0.00 0.00 176.35 173.41 1fiq s PRO 578 N 2.55 3.22 -0.40 0.98 0.04 -1.26 -4.77 135.00 135.37 1fiq s PRO 578 Ca 0.52 1.65 -0.44 0.00 0.04 0.00 0.00 61.00 62.77 1fiq s PRO 578 Cb -0.21 -1.98 -0.19 0.00 0.04 0.00 0.00 34.50 32.15 1fiq s PRO 578 CO 0.17 -0.96 1.45 1.58 0.04 0.00 0.00 177.00 179.28 1fiq n HIS 579 N -1.44 1.51 0.00 0.56 -0.00 -1.26 -4.77 115.22 109.82 1fiq n HIS 579 Ca 0.12 1.09 0.23 0.00 -0.00 0.00 0.00 57.72 59.15 1fiq n HIS 579 Cb 0.51 -2.11 0.67 0.00 -0.00 0.00 0.00 29.99 29.05 1fiq n HIS 579 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 1fiq h LEU 580 N 4.48 0.00 -2.00 0.27 3.38 -1.95 -0.51 115.31 118.97 1fiq h LEU 580 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1fiq h LEU 580 Cb 1.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.07 1fiq h LEU 580 CO 0.89 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.42 1fiq n ALA 581 N -2.32 2.41 -0.24 1.53 0.00 -1.26 -4.61 120.51 116.03 1fiq n ALA 581 Ca 0.12 -0.81 0.08 0.00 0.00 0.00 0.00 53.44 52.83 1fiq n ALA 581 Cb 0.88 -0.61 0.34 0.00 0.00 0.00 0.00 19.45 20.06 1fiq n ALA 581 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fiq h ALA 582 N 3.30 1.70 -0.15 0.00 0.00 -1.43 0.15 119.26 122.85 1fiq h ALA 582 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1fiq h ALA 582 Cb 0.76 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1fiq h ALA 582 CO 0.00 0.14 0.03 0.00 0.00 0.00 0.00 179.25 179.42 1fiq h ALA 583 N 1.58 0.19 0.00 0.00 0.00 -1.82 -1.76 119.26 117.47 1fiq h ALA 583 Ca 0.37 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 1fiq h ALA 583 Cb 0.39 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1fiq h ALA 583 CO -0.14 -0.16 -0.17 0.52 0.00 0.00 0.00 179.25 179.30 1fiq h MET 584 N 0.03 0.00 0.00 0.00 2.86 -1.71 -2.17 114.93 113.94 1fiq h MET 584 Ca 0.05 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.53 1fiq h MET 584 Cb 0.28 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 1fiq h MET 584 CO 0.00 0.17 -0.76 1.96 1.06 0.00 0.00 176.91 179.34 1fiq h GLN 585 N 0.00 0.00 0.00 1.72 4.20 -0.79 0.28 115.11 120.52 1fiq h GLN 585 Ca -0.00 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.63 1fiq h GLN 585 Cb 0.67 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.44 1fiq h GLN 585 CO 0.02 0.76 -0.36 0.00 -0.67 0.00 0.00 178.83 178.58 1fiq h ALA 586 N 1.24 0.84 0.00 3.87 0.00 -0.82 -3.20 119.26 121.19 1fiq h ALA 586 Ca -0.01 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1fiq h ALA 586 Cb 1.51 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1fiq h ALA 586 CO 0.10 0.45 -1.03 -1.13 0.00 0.00 0.00 179.25 177.63 1fiq n SER 587 N -3.29 0.75 0.00 0.00 3.41 -0.86 -4.97 113.62 108.67 1fiq n SER 587 Ca 0.01 -0.65 0.00 0.00 -0.26 0.00 0.00 58.87 57.98 1fiq n SER 587 Cb 0.60 0.96 0.00 0.00 -0.26 0.00 0.00 64.21 65.51 1fiq n SER 587 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fiq n GLY 588 N 1.45 0.51 0.11 5.00 0.00 -0.66 -4.92 105.19 106.68 1fiq n GLY 588 Ca 0.03 -0.51 0.04 0.00 0.00 0.00 0.00 46.02 45.58 1fiq n GLY 588 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1fiq h GLU 589 N 0.66 0.00 -6.58 1.61 5.08 -1.29 -3.46 114.58 110.59 1fiq h GLU 589 Ca 0.00 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.84 1fiq h GLU 589 Cb 0.00 0.00 0.05 0.00 0.50 0.00 0.00 28.75 29.30 1fiq h GLU 589 CO 0.00 0.23 1.05 0.00 -1.00 0.00 0.00 179.01 179.29 1fiq s ALA 590 N -3.05 3.85 -0.18 3.43 0.00 -0.54 -4.94 121.76 120.31 1fiq s ALA 590 Ca -0.01 1.50 -0.15 0.00 0.00 0.00 0.00 51.96 53.30 1fiq s ALA 590 Cb 0.09 -3.72 -0.04 0.00 0.00 0.00 0.00 23.12 19.44 1fiq s ALA 590 CO 0.79 -1.05 0.36 0.08 0.00 0.00 0.00 175.76 175.94 1fiq s VAL 591 N 1.91 5.24 0.39 0.00 1.01 -1.26 -4.95 120.40 122.74 1fiq s VAL 591 Ca 0.77 0.66 0.08 0.00 0.00 0.00 0.00 61.98 63.49 1fiq s VAL 591 Cb -0.47 -3.70 -0.01 0.00 0.00 0.00 0.00 36.38 32.19 1fiq s VAL 591 CO 0.34 0.31 0.43 -0.31 0.00 0.00 0.00 175.10 175.86 1fiq s TYR 592 N 0.96 2.82 0.20 5.22 1.51 -1.26 -4.72 117.35 122.08 1fiq s TYR 592 Ca 0.19 -0.40 -0.20 0.00 -1.01 0.00 0.00 57.07 55.64 1fiq s TYR 592 Cb -0.14 -2.15 0.15 0.00 -0.11 0.00 0.00 41.96 39.72 1fiq s TYR 592 CO 0.07 -0.14 1.57 0.00 -1.11 0.00 0.00 175.55 175.94 1fiq n ASP 594 N -5.44 0.00 0.01 0.00 2.03 -1.26 -2.68 116.55 109.20 1fiq n ASP 594 Ca 0.06 0.21 0.13 0.00 0.52 0.00 0.00 54.79 55.71 1fiq n ASP 594 Cb 0.37 -0.38 0.51 0.00 -0.72 0.00 0.00 41.12 40.89 1fiq n ASP 594 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1fiq n ASP 595 N -1.38 0.18 -4.74 1.67 8.00 -0.13 -4.81 116.55 115.33 1fiq n ASP 595 Ca 0.08 0.30 -0.41 0.00 0.71 0.00 0.00 54.79 55.47 1fiq n ASP 595 Cb 0.21 -0.31 -0.03 0.00 -0.02 0.00 0.00 41.12 40.98 1fiq n ASP 595 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1fiq s ILE 596 N -3.01 3.06 0.57 0.53 1.01 -1.09 -4.91 121.20 117.36 1fiq s ILE 596 Ca 0.13 0.91 -0.21 0.00 0.00 0.00 0.00 60.65 61.48 1fiq s ILE 596 Cb 0.18 -3.58 -0.04 0.00 0.01 0.00 0.00 42.46 39.03 1fiq s ILE 596 CO 0.58 0.15 1.29 -2.65 0.00 0.00 0.00 174.94 174.31 1fiq n PRO 597 N 2.30 1.48 -3.04 2.79 -0.02 -1.26 -4.99 135.00 132.26 1fiq n PRO 597 Ca 0.05 0.55 -0.33 0.00 -2.02 0.00 0.00 63.50 61.75 1fiq n PRO 597 Cb 0.42 -2.50 -0.06 0.00 -0.02 0.00 0.00 33.50 31.34 1fiq n PRO 597 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1fiq s ARG 598 N -2.93 4.09 0.71 -0.52 3.00 -1.26 -5.06 118.95 116.97 1fiq s ARG 598 Ca 0.74 0.82 -0.11 0.00 0.00 0.00 0.00 55.73 57.18 1fiq s ARG 598 Cb -0.42 -2.39 0.01 0.00 0.00 0.00 0.00 34.95 32.16 1fiq s ARG 598 CO 0.47 0.12 1.06 0.71 0.00 0.00 0.00 175.30 177.67 1fiq s TYR 599 N -2.01 3.09 0.58 -0.53 1.51 -1.26 -4.90 117.35 113.83 1fiq s TYR 599 Ca 0.56 1.38 0.28 0.00 -1.01 0.00 0.00 57.07 58.28 1fiq s TYR 599 Cb -0.10 -2.91 1.63 0.00 -0.11 0.00 0.00 41.96 40.47 1fiq s TYR 599 CO 0.16 -1.28 2.09 1.05 -1.11 0.00 0.00 175.55 176.46 1fiq h GLU 600 N -0.75 0.00 -0.28 -0.62 4.11 -2.01 -1.75 114.58 113.28 1fiq h GLU 600 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.99 1fiq h GLU 600 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1fiq h GLU 600 CO 0.57 0.00 0.00 0.27 0.07 0.00 0.00 179.01 179.92 1fiq n ASN 601 N -3.84 2.89 -4.74 3.06 6.94 -1.26 -5.02 115.26 113.29 1fiq n ASN 601 Ca 0.02 -2.15 -0.42 0.00 -0.02 0.00 0.00 54.58 52.02 1fiq n ASN 601 Cb 0.35 -0.24 -0.02 0.00 -2.36 0.00 0.00 39.78 37.50 1fiq n ASN 601 CO 0.00 0.00 0.00 -0.70 -1.03 0.00 0.00 177.26 175.53 1fiq s GLU 602 N -1.26 4.27 0.51 -3.83 2.12 -0.66 -4.46 118.70 115.38 1fiq s GLU 602 Ca 0.22 2.28 0.07 0.00 0.36 0.00 0.00 54.97 57.90 1fiq s GLU 602 Cb 0.13 -3.13 0.03 0.00 0.26 0.00 0.00 34.13 31.42 1fiq s GLU 602 CO 0.12 -0.44 0.48 -0.51 -0.54 0.00 0.00 175.26 174.37 1fiq s LEU 603 N -0.02 3.00 0.04 2.70 1.43 -0.05 -4.90 118.68 120.89 1fiq s LEU 603 Ca 0.61 -1.01 0.06 0.00 -1.03 0.00 0.00 54.13 52.77 1fiq s LEU 603 Cb -0.42 -1.55 -0.02 0.00 0.03 0.00 0.00 46.19 44.23 1fiq s LEU 603 CO 0.40 -1.01 -0.18 -0.36 0.23 0.00 0.00 176.35 175.43 1fiq s PHE 604 N -2.66 1.57 0.07 0.29 0.40 0.56 -2.36 117.98 115.86 1fiq s PHE 604 Ca 0.44 -0.37 0.10 0.00 -0.60 0.00 0.00 56.93 56.50 1fiq s PHE 604 Cb -0.03 -0.93 -0.03 0.00 0.51 0.00 0.00 43.02 42.53 1fiq s PHE 604 CO 0.27 0.07 -0.27 -1.17 0.70 0.00 0.00 175.22 174.83 1fiq s LEU 605 N -1.20 2.21 -0.09 -0.37 0.20 -0.93 -0.49 118.68 118.01 1fiq s LEU 605 Ca 0.05 -0.63 -0.02 0.00 0.69 0.00 0.00 54.13 54.22 1fiq s LEU 605 Cb -0.08 -1.27 0.03 0.00 -0.43 0.00 0.00 46.19 44.44 1fiq s LEU 605 CO 0.02 0.24 0.00 -0.60 -0.29 0.00 0.00 176.35 175.72 1fiq s ARG 606 N -1.46 0.66 0.28 1.98 6.06 -0.35 -4.71 118.95 121.41 1fiq s ARG 606 Ca 0.12 0.01 -0.29 0.00 -2.50 0.00 0.00 55.73 53.07 1fiq s ARG 606 Cb -0.10 -1.17 -0.10 0.00 0.06 0.00 0.00 34.95 33.64 1fiq s ARG 606 CO 0.03 -0.35 1.33 -0.51 -2.50 0.00 0.00 175.30 173.30 1fiq s LEU 607 N 1.94 4.42 -0.31 -0.88 1.43 -1.26 -0.98 118.68 123.04 1fiq s LEU 607 Ca 0.04 2.59 -0.11 0.00 -1.03 0.00 0.00 54.13 55.62 1fiq s LEU 607 Cb -0.13 -3.63 -0.02 0.00 0.03 0.00 0.00 46.19 42.43 1fiq s LEU 607 CO -0.06 -0.56 0.20 -0.69 0.23 0.00 0.00 176.35 175.48 1fiq s VAL 608 N -0.55 5.09 0.16 -1.59 1.01 0.19 -4.91 120.40 119.81 1fiq s VAL 608 Ca 0.53 -0.16 0.05 0.00 0.00 0.00 0.00 61.98 62.40 1fiq s VAL 608 Cb -0.39 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 1fiq s VAL 608 CO 0.46 0.09 0.13 -0.89 0.00 0.00 0.00 175.10 174.90 1fiq s THR 609 N 1.70 4.48 0.58 3.92 2.01 -1.26 0.06 115.64 127.13 1fiq s THR 609 Ca 0.06 -1.06 -0.18 0.00 0.31 0.00 0.00 61.69 60.82 1fiq s THR 609 Cb -0.17 -3.28 -0.04 0.00 0.01 0.00 0.00 72.50 69.02 1fiq s THR 609 CO 0.09 -0.09 1.10 -0.55 -0.69 0.00 0.00 174.62 174.48 1fiq s SER 610 N -3.06 5.63 -0.02 3.53 0.15 0.58 -4.87 113.70 115.64 1fiq s SER 610 Ca 0.31 2.05 0.06 0.00 0.70 0.00 0.00 55.95 59.06 1fiq s SER 610 Cb -0.10 -2.56 0.15 0.00 -1.71 0.00 0.00 66.02 61.80 1fiq s SER 610 CO 0.23 -1.28 1.12 0.35 1.20 0.00 0.00 173.24 174.86 1fiq n THR 611 N -1.68 1.16 -4.27 6.45 -2.24 -1.24 -4.08 114.28 108.37 1fiq n THR 611 Ca 0.11 -1.17 -0.18 0.00 -2.27 0.00 0.00 64.05 60.54 1fiq n THR 611 Cb 0.52 0.39 -0.11 0.00 -2.10 0.00 0.00 70.33 69.03 1fiq n THR 611 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1fiq s ARG 612 N -1.28 1.11 0.01 -0.78 1.81 -1.26 -4.98 118.95 113.58 1fiq s ARG 612 Ca 0.13 -1.37 0.07 0.00 -1.72 0.00 0.00 55.73 52.84 1fiq s ARG 612 Cb 0.08 -0.93 -0.24 0.00 -0.45 0.00 0.00 34.95 33.42 1fiq s ARG 612 CO 0.06 0.16 0.85 0.00 -0.68 0.00 0.00 175.30 175.70 1fiq h ALA 613 N 3.15 0.53 -1.80 2.13 0.00 -1.80 -2.70 119.26 118.77 1fiq h ALA 613 Ca -0.39 -1.24 0.05 0.00 0.00 0.00 0.00 54.91 53.33 1fiq h ALA 613 Cb 1.20 0.28 -0.22 0.00 0.00 0.00 0.00 17.79 19.06 1fiq h ALA 613 CO 0.55 1.39 -0.21 -1.58 0.00 0.00 0.00 179.25 179.40 1fiq s HIS 614 N -2.63 -1.33 0.00 0.00 5.65 -1.25 -0.55 115.29 115.18 1fiq s HIS 614 Ca -0.05 2.01 0.00 0.00 0.25 0.00 0.00 55.06 57.27 1fiq s HIS 614 Cb 0.08 0.65 0.00 0.00 -1.18 0.00 0.00 32.58 32.13 1fiq s HIS 614 CO 0.83 -0.70 0.00 0.00 -0.65 0.00 0.00 174.74 174.21 1fiq n ALA 615 N 5.43 0.00 -3.15 1.58 0.00 -1.10 -0.26 120.51 123.02 1fiq n ALA 615 Ca -0.08 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.11 1fiq n ALA 615 Cb 0.50 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.78 1fiq n ALA 615 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1fiq s LYS 616 N 0.24 1.66 -0.98 0.00 2.47 -0.05 -3.43 119.74 119.65 1fiq s LYS 616 Ca 0.00 -0.49 -0.21 0.00 -1.56 0.00 0.00 55.97 53.70 1fiq s LYS 616 Cb 0.00 -1.42 0.08 0.00 -1.46 0.00 0.00 37.83 35.03 1fiq s LYS 616 CO 0.00 0.14 1.33 0.42 0.16 0.00 0.00 175.35 177.39 1fiq s ILE 617 N 0.31 4.21 0.37 5.43 1.01 0.40 -1.27 121.20 131.67 1fiq s ILE 617 Ca -0.08 -1.04 0.04 0.00 0.00 0.00 0.00 60.65 59.56 1fiq s ILE 617 Cb -0.13 -4.95 0.26 0.00 0.01 0.00 0.00 42.46 37.65 1fiq s ILE 617 CO 0.03 -1.78 2.03 0.50 0.00 0.00 0.00 174.94 175.72 1fiq h LYS 618 N 9.45 0.74 -1.91 2.79 3.64 -0.58 -3.47 116.57 127.24 1fiq h LYS 618 Ca 0.18 -0.05 0.30 0.00 -1.27 0.00 0.00 60.65 59.81 1fiq h LYS 618 Cb 1.02 -0.17 -0.09 0.00 -0.41 0.00 0.00 32.23 32.58 1fiq h LYS 618 CO 1.31 0.49 0.80 -1.54 -2.27 0.00 0.00 179.45 178.24 1fiq s SER 619 N -6.54 -0.03 -0.12 4.20 1.04 -1.18 -4.97 113.70 106.09 1fiq s SER 619 Ca -0.09 -0.25 -0.04 0.00 0.48 0.00 0.00 55.95 56.05 1fiq s SER 619 Cb 0.18 0.22 0.06 0.00 0.10 0.00 0.00 66.02 66.58 1fiq s SER 619 CO 0.75 -0.43 0.17 -0.63 0.98 0.00 0.00 173.24 174.09 1fiq s ILE 620 N -2.29 -0.26 -0.19 -1.02 1.01 -1.26 -1.31 121.20 115.88 1fiq s ILE 620 Ca 0.21 0.19 -0.03 0.00 0.00 0.00 0.00 60.65 61.02 1fiq s ILE 620 Cb 0.01 -0.41 -0.02 0.00 0.01 0.00 0.00 42.46 42.05 1fiq s ILE 620 CO -0.01 0.02 -0.05 -0.62 0.00 0.00 0.00 174.94 174.28 1fiq s ASP 621 N 2.29 4.44 -0.12 3.58 2.15 0.21 -4.98 116.67 124.24 1fiq s ASP 621 Ca 0.04 -0.30 0.15 0.00 0.43 0.00 0.00 52.55 52.87 1fiq s ASP 621 Cb -0.13 -1.74 0.38 0.00 -0.30 0.00 0.00 42.92 41.13 1fiq s ASP 621 CO -0.08 0.06 1.28 1.33 -0.17 0.00 0.00 175.17 177.60 1fiq n VAL 622 N 4.25 1.86 -0.22 1.11 0.24 -1.26 -1.40 118.33 122.91 1fiq n VAL 622 Ca -0.18 -1.77 0.02 0.00 -2.04 0.00 0.00 64.34 60.38 1fiq n VAL 622 Cb 0.52 -0.06 0.11 0.00 -1.47 0.00 0.00 33.84 32.94 1fiq n VAL 622 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1fiq h SER 623 N 1.18 -0.31 -0.12 -1.34 0.02 -1.93 0.79 113.55 111.83 1fiq h SER 623 Ca 0.00 0.17 -0.11 0.00 -0.84 0.00 0.00 61.79 61.00 1fiq h SER 623 Cb 1.13 0.30 0.00 0.00 0.14 0.00 0.00 62.40 63.97 1fiq h SER 623 CO 0.11 -0.14 -0.37 -0.33 -1.14 0.00 0.00 176.83 174.96 1fiq h GLU 624 N 0.11 0.46 -0.61 3.45 4.39 -1.85 -3.25 114.58 117.29 1fiq h GLU 624 Ca 0.35 -0.34 0.10 0.00 0.34 0.00 0.00 59.36 59.81 1fiq h GLU 624 Cb 0.58 0.06 -0.08 0.00 -0.10 0.00 0.00 28.75 29.21 1fiq h GLU 624 CO -0.57 0.96 0.20 0.00 -1.16 0.00 0.00 179.01 178.43 1fiq h ALA 625 N 0.51 0.77 0.00 3.43 0.00 -1.53 0.08 119.26 122.51 1fiq h ALA 625 Ca -0.01 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1fiq h ALA 625 Cb 0.99 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1fiq h ALA 625 CO 0.08 -0.23 0.10 1.96 0.00 0.00 0.00 179.25 181.16 1fiq h GLN 626 N 0.36 0.00 0.00 0.00 4.20 -0.91 -1.48 115.11 117.29 1fiq h GLN 626 Ca 0.31 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.98 1fiq h GLN 626 Cb 0.41 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 1fiq h GLN 626 CO -0.34 0.00 -0.74 0.87 -0.67 0.00 0.00 178.83 177.96 1fiq h LYS 627 N 0.00 0.00 -6.53 1.46 1.57 -1.05 -3.46 116.57 108.56 1fiq h LYS 627 Ca 0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 1fiq h LYS 627 Cb 0.20 0.00 0.04 0.00 0.08 0.00 0.00 32.23 32.54 1fiq h LYS 627 CO 0.00 0.10 1.04 0.08 -0.57 0.00 0.00 179.45 180.10 1fiq s VAL 628 N -3.21 2.58 0.28 0.50 1.01 -0.56 -4.92 120.40 116.08 1fiq s VAL 628 Ca 0.02 0.20 -0.28 0.00 0.00 0.00 0.00 61.98 61.92 1fiq s VAL 628 Cb 0.08 -3.13 -0.14 0.00 0.00 0.00 0.00 36.38 33.18 1fiq s VAL 628 CO 0.76 0.00 0.97 -2.65 0.00 0.00 0.00 175.10 174.18 1fiq n PRO 629 N 5.15 1.21 -0.97 2.72 -0.02 -1.26 -1.28 135.00 140.55 1fiq n PRO 629 Ca 0.16 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 1fiq n PRO 629 Cb 0.38 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 1fiq n PRO 629 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fiq n GLY 630 N 1.33 0.89 3.75 -1.23 0.00 -1.26 -4.79 105.19 103.88 1fiq n GLY 630 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 1fiq n GLY 630 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1fiq s PHE 631 N -3.61 2.28 0.04 1.61 5.36 -0.40 -1.54 117.98 121.72 1fiq s PHE 631 Ca 0.00 1.37 0.00 0.00 -0.96 0.00 0.00 56.93 57.34 1fiq s PHE 631 Cb 0.00 -3.81 0.00 0.00 -0.34 0.00 0.00 43.02 38.87 1fiq s PHE 631 CO 0.00 -2.91 0.00 0.28 -1.46 0.00 0.00 175.22 171.13 1fiq n VAL 632 N -1.01 0.38 -3.65 3.12 0.31 -0.06 -4.87 118.33 112.55 1fiq n VAL 632 Ca 0.10 0.13 -0.00 0.00 -0.01 0.00 0.00 64.34 64.56 1fiq n VAL 632 Cb 0.45 -1.44 -0.01 0.00 -0.91 0.00 0.00 33.84 31.94 1fiq n VAL 632 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1fiq s PHE 634 N -2.64 2.50 -0.18 0.00 5.36 -1.26 -1.57 117.98 120.19 1fiq s PHE 634 Ca 0.13 -0.67 -0.06 0.00 -0.96 0.00 0.00 56.93 55.38 1fiq s PHE 634 Cb 0.03 -1.63 -0.03 0.00 -0.34 0.00 0.00 43.02 41.05 1fiq s PHE 634 CO -0.03 -0.18 0.01 -0.51 -1.46 0.00 0.00 175.22 173.05 1fiq s LEU 635 N -0.16 3.48 0.00 6.12 1.43 0.21 -4.97 118.68 124.80 1fiq s LEU 635 Ca -0.03 -0.06 0.01 0.00 -1.03 0.00 0.00 54.13 53.02 1fiq s LEU 635 Cb -0.14 -1.87 -0.00 0.00 0.03 0.00 0.00 46.19 44.21 1fiq s LEU 635 CO 0.04 0.15 0.04 -1.20 0.23 0.00 0.00 176.35 175.60 1fiq n SER 636 N 3.71 2.81 0.26 2.29 7.64 -1.26 -2.65 113.62 126.42 1fiq n SER 636 Ca -0.17 -3.15 0.18 0.00 1.01 0.00 0.00 58.87 56.74 1fiq n SER 636 Cb 0.52 0.52 0.80 0.00 -1.01 0.00 0.00 64.21 65.04 1fiq n SER 636 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1fiq h ALA 637 N 1.36 1.00 0.00 -0.43 0.00 -1.82 -2.23 119.26 117.14 1fiq h ALA 637 Ca -0.38 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1fiq h ALA 637 Cb 1.23 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1fiq h ALA 637 CO 0.63 0.00 -0.05 -0.44 0.00 0.00 0.00 179.25 179.39 1fiq h ASP 638 N 0.00 0.00 1.66 0.00 3.32 -1.96 -3.11 116.42 116.33 1fiq h ASP 638 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1fiq h ASP 638 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1fiq h ASP 638 CO 0.00 0.05 0.00 0.44 -1.72 0.00 0.00 179.24 178.01 1fiq h ASP 639 N 0.00 0.00 -2.53 6.45 3.32 -1.80 -3.45 116.42 118.42 1fiq h ASP 639 Ca -0.00 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.49 1fiq h ASP 639 Cb 0.94 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.48 1fiq h ASP 639 CO 0.01 0.00 1.20 -0.63 -1.72 0.00 0.00 179.24 178.09 1fiq s ILE 640 N -3.35 3.42 0.19 0.35 1.01 -1.18 -4.90 121.20 116.74 1fiq s ILE 640 Ca 0.05 0.48 0.02 0.00 0.00 0.00 0.00 60.65 61.21 1fiq s ILE 640 Cb 0.07 -3.39 -0.11 0.00 0.01 0.00 0.00 42.46 39.03 1fiq s ILE 640 CO 0.62 -0.13 1.44 1.55 0.00 0.00 0.00 174.94 178.42 1fiq h PRO 641 N 11.08 0.25 0.00 2.79 0.13 -1.84 -3.45 132.00 140.96 1fiq h PRO 641 Ca -0.40 -0.23 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 1fiq h PRO 641 Cb 1.19 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1fiq h PRO 641 CO 0.97 0.90 0.00 0.41 -0.23 0.00 0.00 178.00 180.06 1fiq n GLY 642 N 0.64 0.38 3.71 1.56 0.00 0.96 -4.81 105.19 107.62 1fiq n GLY 642 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 1fiq n GLY 642 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1fiq s SER 643 N -1.00 5.18 -0.12 1.61 0.15 -0.67 -4.90 113.70 113.95 1fiq s SER 643 Ca 0.00 -0.07 0.17 0.00 0.70 0.00 0.00 55.95 56.74 1fiq s SER 643 Cb 0.00 -1.32 0.64 0.00 -1.71 0.00 0.00 66.02 63.64 1fiq s SER 643 CO 0.00 0.22 1.56 -3.20 1.20 0.00 0.00 173.24 173.02 1fiq n ASN 644 N 0.87 4.48 -4.55 5.45 5.15 -1.26 -4.20 115.26 121.21 1fiq n ASN 644 Ca -0.12 -2.55 -0.35 0.00 -0.60 0.00 0.00 54.58 50.96 1fiq n ASN 644 Cb 0.52 -0.54 -0.11 0.00 -0.53 0.00 0.00 39.78 39.12 1fiq n ASN 644 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 1fiq s GLU 645 N -2.02 3.82 0.13 1.20 2.12 -1.26 -2.66 118.70 120.02 1fiq s GLU 645 Ca 0.46 -0.41 0.00 0.00 0.36 0.00 0.00 54.97 55.38 1fiq s GLU 645 Cb 0.31 -3.26 0.00 0.00 0.26 0.00 0.00 34.13 31.44 1fiq s GLU 645 CO 0.20 0.06 0.17 -2.37 -0.54 0.00 0.00 175.26 172.77 1fiq n THR 646 N 4.18 0.00 0.00 -1.70 5.66 -0.88 -4.87 114.28 116.67 1fiq n THR 646 Ca -0.16 -0.71 0.00 0.00 -3.05 0.00 0.00 64.05 60.13 1fiq n THR 646 Cb 0.52 0.42 0.00 0.00 -1.55 0.00 0.00 70.33 69.72 1fiq n THR 646 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1fiq n GLY 647 N -0.22 2.55 0.35 1.09 0.00 -1.26 -0.93 105.19 106.77 1fiq n GLY 647 Ca 0.01 -1.76 0.16 0.00 0.00 0.00 0.00 46.02 44.42 1fiq n GLY 647 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1fiq h LEU 648 N 0.00 0.00 -4.61 0.99 5.85 -1.98 -0.43 115.31 115.13 1fiq h LEU 648 Ca 0.00 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.40 1fiq h LEU 648 Cb 0.00 0.00 -0.39 0.00 0.37 0.00 0.00 40.66 40.64 1fiq h LEU 648 CO 0.00 0.00 -1.00 0.49 -0.34 0.00 0.00 178.44 177.59 1fiq n PHE 649 N -3.09 1.55 -4.02 1.25 3.01 -1.26 -5.00 117.46 109.91 1fiq n PHE 649 Ca 0.01 -2.00 -0.34 0.00 1.01 0.00 0.00 57.45 56.13 1fiq n PHE 649 Cb 0.49 -0.26 -0.06 0.00 -0.01 0.00 0.00 39.48 39.64 1fiq n PHE 649 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1fiq n ASN 650 N -0.56 -1.56 -0.57 4.37 3.02 -0.17 -4.79 115.26 114.99 1fiq n ASN 650 Ca 0.19 -0.94 0.06 0.00 -0.03 0.00 0.00 54.58 53.85 1fiq n ASN 650 Cb 0.88 -1.38 0.19 0.00 -0.61 0.00 0.00 39.78 38.86 1fiq n ASN 650 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1fiq n ASP 651 N -2.04 2.56 -4.18 6.41 5.75 -0.97 -4.67 116.55 119.41 1fiq n ASP 651 Ca 0.10 -3.39 -0.26 0.00 -0.01 0.00 0.00 54.79 51.23 1fiq n ASP 651 Cb 0.41 -0.52 -0.08 0.00 -1.03 0.00 0.00 41.12 39.90 1fiq n ASP 651 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1fiq s GLU 652 N -3.02 1.95 -0.04 0.11 2.02 -0.11 -4.89 118.70 114.72 1fiq s GLU 652 Ca 0.38 -2.20 0.05 0.00 0.02 0.00 0.00 54.97 53.22 1fiq s GLU 652 Cb 0.34 -0.70 -0.01 0.00 0.10 0.00 0.00 34.13 33.87 1fiq s GLU 652 CO 0.01 -0.47 -0.18 0.95 0.02 0.00 0.00 175.26 175.60 1fiq s THR 653 N -3.18 1.48 0.24 3.63 -4.23 -1.26 -2.07 115.64 110.25 1fiq s THR 653 Ca 0.22 -0.76 -0.05 0.00 -1.18 0.00 0.00 61.69 59.93 1fiq s THR 653 Cb 0.03 -1.26 0.12 0.00 1.34 0.00 0.00 72.50 72.72 1fiq s THR 653 CO 0.14 0.42 1.74 0.58 -0.54 0.00 0.00 174.62 176.97 1fiq h VAL 654 N 5.11 1.25 -3.59 2.29 2.07 -1.86 -3.42 116.25 118.11 1fiq h VAL 654 Ca -0.34 -0.98 -0.30 0.00 0.82 0.00 0.00 66.70 65.90 1fiq h VAL 654 Cb 1.17 0.72 -0.32 0.00 -1.52 0.00 0.00 31.29 31.34 1fiq h VAL 654 CO 0.48 0.36 -0.74 -0.36 0.02 0.00 0.00 177.57 177.33 1fiq s PHE 655 N -5.13 0.16 0.37 1.57 2.99 -1.26 -4.92 117.98 111.76 1fiq s PHE 655 Ca -0.11 0.04 -0.28 0.00 0.00 0.00 0.00 56.93 56.59 1fiq s PHE 655 Cb 0.15 -0.25 -0.10 0.00 0.00 0.00 0.00 43.02 42.81 1fiq s PHE 655 CO 0.83 -0.08 1.40 0.00 -0.00 0.00 0.00 175.22 177.37 1fiq s ALA 656 N 0.73 3.49 -0.07 5.36 0.00 -0.24 -4.73 121.76 126.30 1fiq s ALA 656 Ca -0.07 1.43 -0.10 0.00 0.00 0.00 0.00 51.96 53.22 1fiq s ALA 656 Cb -0.10 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.43 1fiq s ALA 656 CO -0.02 -0.91 -0.20 1.17 0.00 0.00 0.00 175.76 175.80 1fiq n LYS 657 N 0.48 0.31 -0.07 0.00 4.81 -1.26 -4.64 118.16 117.79 1fiq n LYS 657 Ca 0.01 0.12 -0.10 0.00 -0.87 0.00 0.00 58.31 57.48 1fiq n LYS 657 Cb 0.41 -1.04 -0.08 0.00 0.02 0.00 0.00 35.03 34.34 1fiq n LYS 657 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1fiq n ASP 658 N -4.02 2.52 -4.23 3.14 8.00 -1.26 -4.85 116.55 115.84 1fiq n ASP 658 Ca -0.10 -0.06 -0.13 0.00 0.71 0.00 0.00 54.79 55.21 1fiq n ASP 658 Cb 0.34 0.06 -0.10 0.00 -0.02 0.00 0.00 41.12 41.39 1fiq n ASP 658 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1fiq s THR 659 N -2.31 0.83 -0.08 -3.53 -4.23 -1.26 -0.46 115.64 104.60 1fiq s THR 659 Ca -0.17 -1.99 0.04 0.00 -1.18 0.00 0.00 61.69 58.39 1fiq s THR 659 Cb 0.05 -1.95 -0.01 0.00 1.34 0.00 0.00 72.50 71.93 1fiq s THR 659 CO 0.41 -0.64 -0.23 0.68 -0.54 0.00 0.00 174.62 174.30 1fiq s VAL 660 N -3.55 2.21 -1.17 2.29 -7.23 -1.22 -4.88 120.40 106.85 1fiq s VAL 660 Ca 0.19 -0.99 0.17 0.00 -1.81 0.00 0.00 61.98 59.55 1fiq s VAL 660 Cb 0.05 -1.84 0.58 0.00 0.56 0.00 0.00 36.38 35.74 1fiq s VAL 660 CO 0.01 0.56 1.50 0.35 -0.31 0.00 0.00 175.10 177.21 1fiq n THR 661 N 3.23 1.48 -3.57 5.32 -2.24 -1.26 -2.72 114.28 114.53 1fiq n THR 661 Ca -0.18 -1.18 -0.06 0.00 -2.27 0.00 0.00 64.05 60.36 1fiq n THR 661 Cb 0.52 0.27 -0.02 0.00 -2.10 0.00 0.00 70.33 69.00 1fiq n THR 661 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1fiq h VAL 663 N 2.02 0.14 0.00 0.00 2.07 -1.67 -2.67 116.25 116.14 1fiq h VAL 663 Ca -0.13 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.39 1fiq h VAL 663 Cb 1.19 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1fiq h VAL 663 CO 0.25 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.45 1fiq n GLY 664 N -1.52 1.62 3.72 2.17 0.00 -1.26 -2.07 105.19 107.85 1fiq n GLY 664 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 1fiq n GLY 664 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1fiq s HIS 665 N -0.36 3.14 -0.23 1.61 5.04 -1.01 -4.64 115.29 118.85 1fiq s HIS 665 Ca 0.00 0.87 -0.29 0.00 -1.54 0.00 0.00 55.06 54.10 1fiq s HIS 665 Cb 0.00 -3.79 -0.00 0.00 0.04 0.00 0.00 32.58 28.83 1fiq s HIS 665 CO 0.00 -2.78 1.19 0.42 -2.34 0.00 0.00 174.74 171.22 1fiq s ILE 666 N 0.82 4.39 -0.18 0.89 1.01 -1.26 -0.31 121.20 126.57 1fiq s ILE 666 Ca 0.65 1.65 0.09 0.00 0.00 0.00 0.00 60.65 63.04 1fiq s ILE 666 Cb -0.40 -4.16 -0.22 0.00 0.01 0.00 0.00 42.46 37.68 1fiq s ILE 666 CO 0.34 -0.25 0.13 -0.38 0.00 0.00 0.00 174.94 174.77 1fiq n ILE 667 N 5.58 1.51 -2.84 2.92 5.41 0.11 -1.08 119.36 130.98 1fiq n ILE 667 Ca 0.13 -0.73 0.00 0.00 1.00 0.00 0.00 62.75 63.15 1fiq n ILE 667 Cb 0.46 -1.03 0.00 0.00 -0.71 0.00 0.00 39.64 38.36 1fiq n ILE 667 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1fiq n GLY 668 N 1.90 1.45 3.56 7.39 0.00 -1.01 -4.15 105.19 114.34 1fiq n GLY 668 Ca -0.34 -0.70 -0.16 0.00 0.00 0.00 0.00 46.02 44.82 1fiq n GLY 668 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fiq s ALA 669 N -1.00 -1.74 -0.10 4.61 0.00 -1.08 0.57 121.76 123.02 1fiq s ALA 669 Ca 0.00 1.62 -0.03 0.00 0.00 0.00 0.00 51.96 53.55 1fiq s ALA 669 Cb 0.00 -0.54 -0.03 0.00 0.00 0.00 0.00 23.12 22.54 1fiq s ALA 669 CO 0.00 -0.35 0.02 0.08 0.00 0.00 0.00 175.76 175.50 1fiq s VAL 670 N -0.46 4.43 -0.14 0.00 1.01 -0.15 -0.61 120.40 124.47 1fiq s VAL 670 Ca -0.06 -0.20 -0.01 0.00 0.00 0.00 0.00 61.98 61.71 1fiq s VAL 670 Cb -0.02 -2.88 -0.02 0.00 0.00 0.00 0.00 36.38 33.46 1fiq s VAL 670 CO 0.06 0.59 -0.10 -0.69 0.00 0.00 0.00 175.10 174.96 1fiq s VAL 671 N -0.74 3.28 0.23 2.92 1.01 -0.61 -1.21 120.40 125.28 1fiq s VAL 671 Ca 0.12 -0.58 -0.02 0.00 0.00 0.00 0.00 61.98 61.50 1fiq s VAL 671 Cb -0.12 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 1fiq s VAL 671 CO 0.02 0.51 0.22 0.00 0.00 0.00 0.00 175.10 175.86 1fiq s ALA 672 N 0.44 1.03 0.01 5.51 0.00 0.35 -0.88 121.76 128.22 1fiq s ALA 672 Ca -0.08 -1.62 0.30 0.00 0.00 0.00 0.00 51.96 50.56 1fiq s ALA 672 Cb -0.15 1.34 1.08 0.00 0.00 0.00 0.00 23.12 25.39 1fiq s ALA 672 CO 0.04 -0.65 1.88 0.38 0.00 0.00 0.00 175.76 177.41 1fiq h ASP 673 N 2.47 0.00 -4.88 0.00 -0.00 -1.58 0.16 116.42 112.59 1fiq h ASP 673 Ca -0.33 0.00 -0.21 0.00 -0.00 0.00 0.00 57.03 56.49 1fiq h ASP 673 Cb 1.25 0.00 -0.20 0.00 -0.00 0.00 0.00 39.33 40.38 1fiq h ASP 673 CO 0.47 0.05 -0.71 0.42 -0.00 0.00 0.00 179.24 179.47 1fiq s THR 674 N -3.57 0.36 0.35 1.15 -4.23 -1.26 -4.66 115.64 103.79 1fiq s THR 674 Ca 0.02 -1.18 0.06 0.00 -1.18 0.00 0.00 61.69 59.41 1fiq s THR 674 Cb 0.08 -0.69 0.30 0.00 1.34 0.00 0.00 72.50 73.54 1fiq s THR 674 CO 0.59 -0.54 1.93 -0.65 -0.54 0.00 0.00 174.62 175.40 1fiq h PRO 675 N 4.25 0.74 0.54 3.99 0.11 -1.92 -1.71 132.00 137.99 1fiq h PRO 675 Ca -0.34 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.70 1fiq h PRO 675 Cb 1.19 -0.17 0.01 0.00 0.11 0.00 0.00 31.00 32.14 1fiq h PRO 675 CO 0.46 0.49 -0.26 0.93 -0.21 0.00 0.00 178.00 179.41 1fiq h GLU 676 N 0.76 -0.69 -0.63 1.05 3.07 -1.98 -1.44 114.58 114.72 1fiq h GLU 676 Ca 0.36 0.05 0.05 0.00 -0.50 0.00 0.00 59.36 59.31 1fiq h GLU 676 Cb 0.40 0.16 -0.04 0.00 -0.84 0.00 0.00 28.75 28.43 1fiq h GLU 676 CO -0.14 -0.45 0.42 0.45 -1.40 0.00 0.00 179.01 177.89 1fiq h HIS 677 N -0.75 0.68 0.00 4.33 3.86 -1.73 0.94 115.15 122.48 1fiq h HIS 677 Ca -0.07 0.02 -0.10 0.00 -1.16 0.00 0.00 60.37 59.05 1fiq h HIS 677 Cb 0.57 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.80 1fiq h HIS 677 CO -0.03 0.38 -0.49 0.00 0.86 0.00 0.00 177.93 178.65 1fiq h ALA 678 N 1.65 0.97 0.08 2.45 0.00 -1.18 -1.36 119.26 121.88 1fiq h ALA 678 Ca 0.26 -0.44 -0.11 0.00 0.00 0.00 0.00 54.91 54.62 1fiq h ALA 678 Cb 0.16 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.89 1fiq h ALA 678 CO -0.08 0.61 -0.48 1.49 0.00 0.00 0.00 179.25 180.79 1fiq h GLU 679 N 0.00 0.18 -0.22 0.00 4.81 0.00 -1.70 114.58 117.65 1fiq h GLU 679 Ca -0.00 -0.30 -0.00 0.00 -0.13 0.00 0.00 59.36 58.92 1fiq h GLU 679 Cb 1.00 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.48 1fiq h GLU 679 CO 0.06 1.14 0.12 0.00 -0.73 0.00 0.00 179.01 179.61 1fiq h ARG 680 N -0.63 0.30 -0.41 1.92 3.08 -0.92 -0.93 114.38 116.80 1fiq h ARG 680 Ca -0.08 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 1fiq h ARG 680 Cb 1.38 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 31.35 1fiq h ARG 680 CO 0.09 0.28 0.19 0.00 -1.07 0.00 0.00 179.97 179.46 1fiq h ALA 681 N 1.01 0.53 -0.40 0.04 0.00 -1.36 -2.26 119.26 116.81 1fiq h ALA 681 Ca 0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1fiq h ALA 681 Cb 0.06 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1fiq h ALA 681 CO -0.01 0.09 0.22 0.00 0.00 0.00 0.00 179.25 179.55 1fiq h ALA 682 N 1.04 1.63 -0.71 0.00 0.00 -1.13 -2.37 119.26 117.72 1fiq h ALA 682 Ca 0.14 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1fiq h ALA 682 Cb 0.12 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1fiq h ALA 682 CO -0.02 0.31 0.25 1.25 0.00 0.00 0.00 179.25 181.05 1fiq h HIS 683 N 0.56 1.10 -0.21 0.00 6.17 -0.59 -2.92 115.15 119.25 1fiq h HIS 683 Ca 0.14 -0.09 0.00 0.00 0.71 0.00 0.00 60.37 61.14 1fiq h HIS 683 Cb 0.02 -0.33 0.00 0.00 2.52 0.00 0.00 27.41 29.62 1fiq h HIS 683 CO 0.00 0.85 0.00 0.28 0.71 0.00 0.00 177.93 179.78 1fiq n VAL 684 N -4.28 0.28 -2.45 5.26 0.31 -0.90 -4.84 118.33 111.72 1fiq n VAL 684 Ca 0.06 -0.31 -0.43 0.00 -0.01 0.00 0.00 64.34 63.65 1fiq n VAL 684 Cb 0.20 0.17 -0.02 0.00 -0.91 0.00 0.00 33.84 33.28 1fiq n VAL 684 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1fiq s VAL 685 N -1.72 4.02 -0.16 2.52 1.01 -1.10 -4.31 120.40 120.65 1fiq s VAL 685 Ca 0.20 1.03 -0.29 0.00 0.00 0.00 0.00 61.98 62.92 1fiq s VAL 685 Cb 0.11 -4.38 -0.00 0.00 0.00 0.00 0.00 36.38 32.10 1fiq s VAL 685 CO 0.15 -0.89 1.03 -0.54 0.00 0.00 0.00 175.10 174.86 1fiq s LYS 686 N 4.77 4.34 -0.03 2.72 3.01 -0.49 -4.93 119.74 129.14 1fiq s LYS 686 Ca 0.55 1.39 0.07 0.00 -1.01 0.00 0.00 55.97 56.98 1fiq s LYS 686 Cb -0.11 -3.59 -0.02 0.00 -1.01 0.00 0.00 37.83 33.10 1fiq s LYS 686 CO 0.32 -0.47 -0.24 0.08 0.51 0.00 0.00 175.35 175.55 1fiq s VAL 687 N 2.59 2.20 -0.20 3.17 1.01 -1.26 0.64 120.40 128.55 1fiq s VAL 687 Ca 0.47 -1.05 -0.05 0.00 0.00 0.00 0.00 61.98 61.35 1fiq s VAL 687 Cb -0.17 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.41 1fiq s VAL 687 CO 0.13 0.58 -0.00 -0.89 0.00 0.00 0.00 175.10 174.92 1fiq s THR 688 N -0.60 3.97 0.36 3.92 2.01 -0.43 -4.99 115.64 119.88 1fiq s THR 688 Ca 0.09 -0.31 0.08 0.00 0.31 0.00 0.00 61.69 61.87 1fiq s THR 688 Cb -0.10 -2.79 -0.05 0.00 0.01 0.00 0.00 72.50 69.56 1fiq s THR 688 CO -0.00 0.43 0.06 -0.31 -0.69 0.00 0.00 174.62 174.11 1fiq s TYR 689 N 0.96 2.58 -0.32 4.92 1.51 -1.26 0.17 117.35 125.92 1fiq s TYR 689 Ca 0.01 -0.47 -0.02 0.00 -1.01 0.00 0.00 57.07 55.59 1fiq s TYR 689 Cb -0.14 -1.61 0.12 0.00 -0.11 0.00 0.00 41.96 40.22 1fiq s TYR 689 CO 0.02 0.40 0.19 -2.00 -1.11 0.00 0.00 175.55 173.05 1fiq s GLU 690 N -3.77 0.38 0.58 -0.62 2.12 -0.39 -4.80 118.70 112.20 1fiq s GLU 690 Ca 0.36 -0.87 -0.18 0.00 0.36 0.00 0.00 54.97 54.64 1fiq s GLU 690 Cb 0.01 -1.16 -0.08 0.00 0.26 0.00 0.00 34.13 33.16 1fiq s GLU 690 CO 0.20 -1.12 0.60 -0.25 -0.54 0.00 0.00 175.26 174.15 1fiq n ASP 691 N 4.66 -0.76 -4.33 -1.70 8.00 -1.26 -0.87 116.55 120.30 1fiq n ASP 691 Ca 0.03 0.74 -0.17 0.00 0.71 0.00 0.00 54.79 56.10 1fiq n ASP 691 Cb 0.40 -1.21 -0.10 0.00 -0.02 0.00 0.00 41.12 40.19 1fiq n ASP 691 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1fiq s LEU 692 N 0.23 2.30 0.13 0.64 1.43 0.65 -4.80 118.68 119.26 1fiq s LEU 692 Ca 0.70 -1.17 -0.34 0.00 -1.03 0.00 0.00 54.13 52.29 1fiq s LEU 692 Cb -0.43 -0.34 -0.14 0.00 0.03 0.00 0.00 46.19 45.30 1fiq s LEU 692 CO 0.53 -0.44 1.59 -2.65 0.23 0.00 0.00 176.35 175.61 1fiq n PRO 693 N -0.39 2.07 -4.90 1.29 -0.02 -1.26 -4.69 135.00 127.09 1fiq n PRO 693 Ca -0.06 0.75 -0.33 0.00 -2.02 0.00 0.00 63.50 61.84 1fiq n PRO 693 Cb 0.63 -2.52 -0.14 0.00 -0.02 0.00 0.00 33.50 31.45 1fiq n PRO 693 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1fiq s ALA 694 N 1.20 2.55 -0.24 3.55 0.00 -1.26 -4.91 121.76 122.65 1fiq s ALA 694 Ca 0.81 -0.94 -0.09 0.00 0.00 0.00 0.00 51.96 51.73 1fiq s ALA 694 Cb -0.70 -1.05 -0.04 0.00 0.00 0.00 0.00 23.12 21.33 1fiq s ALA 694 CO 0.40 0.36 0.13 0.42 0.00 0.00 0.00 175.76 177.07 1fiq s ILE 695 N -0.04 4.99 0.00 0.00 1.01 -1.26 -4.97 121.20 120.93 1fiq s ILE 695 Ca -0.04 0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.66 1fiq s ILE 695 Cb -0.14 -3.33 0.00 0.00 0.01 0.00 0.00 42.46 39.00 1fiq s ILE 695 CO 0.04 0.35 0.00 -0.38 0.00 0.00 0.00 174.94 174.95 1fiq n ILE 696 N 4.46 0.00 -3.67 2.92 5.41 -1.26 0.92 119.36 128.13 1fiq n ILE 696 Ca -0.15 0.00 -0.22 0.00 1.00 0.00 0.00 62.75 63.38 1fiq n ILE 696 Cb 0.52 -0.75 -0.03 0.00 -0.71 0.00 0.00 39.64 38.67 1fiq n ILE 696 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 1fiq s THR 697 N -1.84 2.49 0.18 1.39 -4.23 -1.26 -4.83 115.64 107.53 1fiq s THR 697 Ca 0.00 -1.41 -0.10 0.00 -1.18 0.00 0.00 61.69 59.00 1fiq s THR 697 Cb 0.00 -2.90 0.09 0.00 1.34 0.00 0.00 72.50 71.03 1fiq s THR 697 CO 0.00 0.00 1.71 0.40 -0.54 0.00 0.00 174.62 176.19 1fiq h ILE 698 N 1.05 1.25 -0.35 2.99 2.04 -1.98 -1.39 117.51 121.12 1fiq h ILE 698 Ca -0.41 -0.87 0.02 0.00 1.00 0.00 0.00 64.86 64.60 1fiq h ILE 698 Cb 1.27 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.93 1fiq h ILE 698 CO 0.59 0.33 0.18 -0.33 0.00 0.00 0.00 178.15 178.93 1fiq h GLU 699 N 0.92 0.37 -1.00 2.37 3.07 -2.00 -1.33 114.58 116.97 1fiq h GLU 699 Ca 0.20 -0.02 0.10 0.00 -0.50 0.00 0.00 59.36 59.14 1fiq h GLU 699 Cb 0.31 -0.08 -0.08 0.00 -0.84 0.00 0.00 28.75 28.06 1fiq h GLU 699 CO -0.00 0.24 0.64 -0.44 -1.40 0.00 0.00 179.01 178.05 1fiq h ASP 700 N 0.38 0.97 -0.01 1.42 5.19 -1.84 -1.72 116.42 120.81 1fiq h ASP 700 Ca 0.14 0.03 -0.00 0.00 -0.62 0.00 0.00 57.03 56.59 1fiq h ASP 700 Cb 0.04 -0.16 -0.00 0.00 0.18 0.00 0.00 39.33 39.38 1fiq h ASP 700 CO -0.09 0.55 0.00 0.00 -3.12 0.00 0.00 179.24 176.59 1fiq h ALA 701 N 1.51 0.01 -0.44 3.45 0.00 -0.37 -2.97 119.26 120.44 1fiq h ALA 701 Ca 0.47 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.24 1fiq h ALA 701 Cb 0.37 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1fiq h ALA 701 CO -0.23 -0.34 0.29 0.82 0.00 0.00 0.00 179.25 179.78 1fiq h ILE 702 N -0.29 1.10 -0.18 0.00 2.04 -0.96 -0.15 117.51 119.06 1fiq h ILE 702 Ca 0.00 -0.20 0.05 0.00 1.00 0.00 0.00 64.86 65.71 1fiq h ILE 702 Cb 0.31 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 1fiq h ILE 702 CO 0.00 0.11 0.28 0.50 0.00 0.00 0.00 178.15 179.04 1fiq h LYS 703 N 0.59 0.00 -0.22 2.37 3.64 -1.32 0.12 116.57 121.75 1fiq h LYS 703 Ca 0.17 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1fiq h LYS 703 Cb -0.05 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1fiq h LYS 703 CO -0.05 0.00 0.00 0.09 -2.27 0.00 0.00 179.45 177.22 1fiq n ASN 704 N -3.48 2.84 -3.85 4.20 5.03 -0.55 -4.99 115.26 114.46 1fiq n ASN 704 Ca 0.02 -2.27 -0.38 0.00 0.87 0.00 0.00 54.58 52.82 1fiq n ASN 704 Cb 0.40 -0.25 0.03 0.00 -1.02 0.00 0.00 39.78 38.94 1fiq n ASN 704 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1fiq n ASN 705 N -0.07 -4.86 -3.98 6.41 5.15 0.03 -4.91 115.26 113.04 1fiq n ASN 705 Ca 0.11 -1.13 -0.31 0.00 -0.60 0.00 0.00 54.58 52.64 1fiq n ASN 705 Cb 0.49 -2.64 -0.12 0.00 -0.53 0.00 0.00 39.78 36.97 1fiq n ASN 705 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1fiq s SER 706 N -3.48 4.67 0.28 1.20 0.15 -0.23 -5.03 113.70 111.27 1fiq s SER 706 Ca 0.48 -3.15 0.03 0.00 0.70 0.00 0.00 55.95 54.01 1fiq s SER 706 Cb -0.21 -1.70 -0.06 0.00 -1.71 0.00 0.00 66.02 62.34 1fiq s SER 706 CO 0.91 -0.24 0.06 -0.36 1.20 0.00 0.00 173.24 174.82 1fiq s PHE 707 N -0.48 1.69 -0.24 3.44 0.40 -1.26 -0.39 117.98 121.14 1fiq s PHE 707 Ca 0.19 -1.05 -0.09 0.00 -0.60 0.00 0.00 56.93 55.38 1fiq s PHE 707 Cb -0.21 -1.03 -0.04 0.00 0.51 0.00 0.00 43.02 42.25 1fiq s PHE 707 CO -0.04 -0.16 0.11 0.71 0.70 0.00 0.00 175.22 176.55 1fiq s TYR 708 N -3.53 3.19 0.00 0.36 1.51 -0.67 -4.69 117.35 113.51 1fiq s TYR 708 Ca 0.36 -0.08 0.00 0.00 -1.01 0.00 0.00 57.07 56.34 1fiq s TYR 708 Cb 0.08 -2.25 0.00 0.00 -0.11 0.00 0.00 41.96 39.68 1fiq s TYR 708 CO 0.13 -0.14 0.00 0.41 -1.11 0.00 0.00 175.55 174.84 1fiq n GLY 709 N 4.59 0.36 3.80 0.71 0.00 -1.26 -4.54 105.19 108.85 1fiq n GLY 709 Ca -0.15 -0.92 -0.22 0.00 0.00 0.00 0.00 46.02 44.73 1fiq n GLY 709 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1fiq s SER 710 N -4.00 5.08 0.53 1.61 1.04 -1.26 -4.99 113.70 111.71 1fiq s SER 710 Ca 0.00 -0.57 -0.22 0.00 0.48 0.00 0.00 55.95 55.64 1fiq s SER 710 Cb 0.00 -0.93 -0.05 0.00 0.10 0.00 0.00 66.02 65.14 1fiq s SER 710 CO 0.00 -0.29 1.38 1.21 0.98 0.00 0.00 173.24 176.53 1fiq n GLU 711 N -1.26 1.80 -4.09 4.02 2.13 -1.26 -4.91 120.64 117.07 1fiq n GLU 711 Ca -0.03 0.66 -0.22 0.00 0.66 0.00 0.00 57.16 58.23 1fiq n GLU 711 Cb 0.60 -2.60 -0.05 0.00 0.27 0.00 0.00 31.44 29.66 1fiq n GLU 711 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1fiq s LEU 712 N -3.39 3.70 -0.29 4.31 1.43 -0.28 -4.94 118.68 119.22 1fiq s LEU 712 Ca 0.70 -0.35 -0.26 0.00 -1.03 0.00 0.00 54.13 53.19 1fiq s LEU 712 Cb -0.42 -2.24 0.19 0.00 0.03 0.00 0.00 46.19 43.75 1fiq s LEU 712 CO 0.50 -0.09 1.39 -0.75 0.23 0.00 0.00 176.35 177.64 1fiq s LYS 713 N -3.85 0.10 -0.06 1.70 2.20 -1.26 -1.01 119.74 117.57 1fiq s LYS 713 Ca 0.34 0.08 0.05 0.00 -0.36 0.00 0.00 55.97 56.08 1fiq s LYS 713 Cb -0.07 0.05 -0.00 0.00 -1.51 0.00 0.00 37.83 36.29 1fiq s LYS 713 CO 0.25 -0.02 -0.20 0.42 -0.36 0.00 0.00 175.35 175.44 1fiq s ILE 714 N -0.28 1.64 -0.09 5.43 1.01 -0.78 -5.01 121.20 123.12 1fiq s ILE 714 Ca 0.07 -0.82 -0.04 0.00 0.00 0.00 0.00 60.65 59.87 1fiq s ILE 714 Cb -0.04 -1.41 0.05 0.00 0.01 0.00 0.00 42.46 41.07 1fiq s ILE 714 CO -0.13 0.47 0.18 -0.70 0.00 0.00 0.00 174.94 174.76 1fiq s GLU 715 N 0.08 0.07 0.06 2.79 2.12 -1.26 -1.88 118.70 120.68 1fiq s GLU 715 Ca -0.06 0.56 0.08 0.00 0.36 0.00 0.00 54.97 55.91 1fiq s GLU 715 Cb -0.13 -0.21 -0.03 0.00 0.26 0.00 0.00 34.13 34.02 1fiq s GLU 715 CO 0.03 -0.27 -0.23 0.21 -0.54 0.00 0.00 175.26 174.46 1fiq s LYS 716 N 2.08 1.45 3.34 4.30 2.20 -0.34 -5.01 119.74 127.76 1fiq s LYS 716 Ca 0.00 -1.06 0.00 0.00 -0.36 0.00 0.00 55.97 54.55 1fiq s LYS 716 Cb -0.12 -1.64 0.00 0.00 -1.51 0.00 0.00 37.83 34.56 1fiq s LYS 716 CO -0.06 0.41 0.00 0.41 -0.36 0.00 0.00 175.35 175.75 1fiq n GLY 717 N 1.62 0.28 2.80 5.54 0.00 -1.26 -1.87 105.19 112.30 1fiq n GLY 717 Ca -0.18 -0.88 -0.15 0.00 0.00 0.00 0.00 46.02 44.82 1fiq n GLY 717 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1fiq s ASP 718 N -4.00 0.13 0.00 1.61 -1.08 -1.26 -4.88 116.67 107.18 1fiq s ASP 718 Ca 0.00 0.10 0.00 0.00 -0.52 0.00 0.00 52.55 52.13 1fiq s ASP 718 Cb 0.00 -0.01 0.00 0.00 -1.46 0.00 0.00 42.92 41.45 1fiq s ASP 718 CO 0.00 -0.15 0.21 0.18 0.52 0.00 0.00 175.17 175.94 1fiq n LEU 719 N 4.30 0.00 -4.67 -1.34 4.77 -1.26 -4.26 117.00 114.54 1fiq n LEU 719 Ca -0.25 0.21 -0.49 0.00 -0.03 0.00 0.00 56.01 55.44 1fiq n LEU 719 Cb 0.50 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.54 1fiq n LEU 719 CO 0.20 0.00 1.29 1.17 -1.33 0.00 0.00 177.39 178.71 1fiq n LYS 720 N -0.26 1.89 0.00 3.23 4.81 -1.26 -0.11 118.16 126.46 1fiq n LYS 720 Ca 0.00 0.69 0.00 0.00 -0.87 0.00 0.00 58.31 58.13 1fiq n LYS 720 Cb 0.00 -2.46 0.00 0.00 0.02 0.00 0.00 35.03 32.59 1fiq n LYS 720 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1fiq n LYS 721 N 4.82 0.00 0.00 1.64 4.81 -1.26 -4.78 118.16 123.39 1fiq n LYS 721 Ca 0.21 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.65 1fiq n LYS 721 Cb 0.26 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.31 1fiq n LYS 721 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1fiq n GLY 722 N 0.00 0.00 0.10 3.14 0.00 0.84 -3.86 105.19 105.40 1fiq n GLY 722 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1fiq n GLY 722 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1fiq n PHE 723 N -2.44 0.62 -0.13 1.61 0.99 -0.91 -1.12 117.46 116.07 1fiq n PHE 723 Ca 0.00 0.24 -0.28 0.00 -0.00 0.00 0.00 57.45 57.41 1fiq n PHE 723 Cb 0.49 -0.88 -0.10 0.00 -1.00 0.00 0.00 39.48 37.99 1fiq n PHE 723 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 1fiq n SER 724 N -2.06 1.95 0.26 4.37 7.64 -1.26 -4.32 113.62 120.20 1fiq n SER 724 Ca 0.03 0.35 0.18 0.00 1.01 0.00 0.00 58.87 60.43 1fiq n SER 724 Cb 0.24 -0.83 0.86 0.00 -1.01 0.00 0.00 64.21 63.47 1fiq n SER 724 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1fiq h GLU 725 N -1.00 0.00 -6.63 1.43 4.57 -1.64 -3.42 114.58 107.89 1fiq h GLU 725 Ca -0.63 0.00 -0.52 0.00 -1.18 0.00 0.00 59.36 57.03 1fiq h GLU 725 Cb 1.55 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 30.14 1fiq h GLU 725 CO -0.38 0.00 0.50 0.00 -1.18 0.00 0.00 179.01 177.95 1fiq s ALA 726 N -4.31 3.38 -0.00 2.92 0.00 -0.28 -4.94 121.76 118.53 1fiq s ALA 726 Ca -0.04 0.84 -0.17 0.00 0.00 0.00 0.00 51.96 52.59 1fiq s ALA 726 Cb 0.12 -3.38 -0.10 0.00 0.00 0.00 0.00 23.12 19.76 1fiq s ALA 726 CO 0.40 -0.28 0.86 -0.44 0.00 0.00 0.00 175.76 176.30 1fiq h ASP 727 N 5.39 -0.53 -2.93 0.00 3.32 -1.71 -3.45 116.42 116.50 1fiq h ASP 727 Ca -0.44 0.02 -0.61 0.00 0.02 0.00 0.00 57.03 56.02 1fiq h ASP 727 Cb 1.21 0.14 -0.07 0.00 0.22 0.00 0.00 39.33 40.83 1fiq h ASP 727 CO 0.74 -0.23 -0.56 0.20 -1.72 0.00 0.00 179.24 177.68 1fiq s ASN 728 N -4.08 5.80 -0.16 6.45 0.01 -0.14 -4.99 114.94 117.83 1fiq s ASN 728 Ca -0.09 0.04 -0.04 0.00 -0.71 0.00 0.00 52.86 52.06 1fiq s ASN 728 Cb 0.01 -1.62 0.06 0.00 0.41 0.00 0.00 41.25 40.11 1fiq s ASN 728 CO 0.27 0.13 0.12 -0.69 -1.51 0.00 0.00 177.10 175.43 1fiq s VAL 729 N -1.54 -0.16 0.08 1.60 1.01 -1.26 -1.45 120.40 118.68 1fiq s VAL 729 Ca 0.31 -0.07 0.06 0.00 0.00 0.00 0.00 61.98 62.28 1fiq s VAL 729 Cb -0.12 -0.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.68 1fiq s VAL 729 CO 0.24 -0.20 -0.08 -0.69 0.00 0.00 0.00 175.10 174.37 1fiq s VAL 730 N 2.20 3.48 0.18 2.92 1.01 0.10 -4.93 120.40 125.35 1fiq s VAL 730 Ca 0.03 -1.14 -0.13 0.00 0.00 0.00 0.00 61.98 60.74 1fiq s VAL 730 Cb -0.15 -2.60 0.01 0.00 0.00 0.00 0.00 36.38 33.63 1fiq s VAL 730 CO -0.09 0.17 0.41 -0.94 0.00 0.00 0.00 175.10 174.65 1fiq s SER 731 N -2.04 -0.11 0.00 3.32 1.04 -1.26 0.17 113.70 114.82 1fiq s SER 731 Ca 0.21 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 55.97 1fiq s SER 731 Cb -0.11 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.52 1fiq s SER 731 CO 0.13 -0.98 0.00 0.61 0.98 0.00 0.00 173.24 173.98 1fiq n GLY 732 N -0.28 -1.33 3.34 7.32 0.00 -0.99 -4.95 105.19 108.30 1fiq n GLY 732 Ca -0.09 -0.95 -0.31 0.00 0.00 0.00 0.00 46.02 44.67 1fiq n GLY 732 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1fiq s GLU 733 N -0.77 2.16 0.02 1.61 2.12 -1.26 -1.12 118.70 121.45 1fiq s GLU 733 Ca 0.00 -0.90 0.01 0.00 0.36 0.00 0.00 54.97 54.43 1fiq s GLU 733 Cb 0.00 -2.09 -0.02 0.00 0.26 0.00 0.00 34.13 32.29 1fiq s GLU 733 CO 0.00 0.57 -0.04 -1.17 -0.54 0.00 0.00 175.26 174.08 1fiq s LEU 734 N -0.65 2.18 0.01 2.70 2.96 0.15 -4.98 118.68 121.05 1fiq s LEU 734 Ca 0.10 -0.38 0.01 0.00 -0.22 0.00 0.00 54.13 53.64 1fiq s LEU 734 Cb -0.10 -0.00 -0.01 0.00 0.50 0.00 0.00 46.19 46.58 1fiq s LEU 734 CO -0.01 -0.19 -0.05 -0.47 -1.32 0.00 0.00 176.35 174.31 1fiq s TYR 735 N -1.06 0.44 -0.10 5.38 5.04 -1.26 0.14 117.35 125.93 1fiq s TYR 735 Ca -0.10 -0.22 0.00 0.00 -2.44 0.00 0.00 57.07 54.31 1fiq s TYR 735 Cb -0.07 -0.28 0.02 0.00 0.35 0.00 0.00 41.96 41.98 1fiq s TYR 735 CO -0.00 -0.04 -0.09 -1.50 -1.34 0.00 0.00 175.55 172.57 1fiq s ILE 736 N -0.54 1.09 1.08 3.14 2.07 0.12 -2.29 121.20 125.87 1fiq s ILE 736 Ca -0.03 -0.36 -0.13 0.00 -1.41 0.00 0.00 60.65 58.72 1fiq s ILE 736 Cb -0.04 -1.07 0.23 0.00 0.13 0.00 0.00 42.46 41.71 1fiq s ILE 736 CO -0.00 0.37 1.07 -0.83 -1.91 0.00 0.00 174.94 173.64 1fiq s GLY 737 N 1.41 1.55 0.00 1.50 0.00 0.30 -1.28 107.32 110.79 1fiq s GLY 737 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 44.72 44.38 1fiq s GLY 737 CO -0.05 0.33 0.00 0.61 0.00 0.00 0.00 173.10 173.99 1fiq n GLY 738 N -0.44 -0.05 3.64 0.20 0.00 -1.26 -4.63 105.19 102.65 1fiq n GLY 738 Ca 0.04 -1.57 -0.06 0.00 0.00 0.00 0.00 46.02 44.44 1fiq n GLY 738 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1fiq s GLN 739 N 0.00 0.30 0.00 1.61 0.74 -1.26 -4.79 119.66 116.27 1fiq s GLN 739 Ca 0.00 0.37 -0.15 0.00 0.05 0.00 0.00 55.36 55.63 1fiq s GLN 739 Cb 0.00 0.14 -0.06 0.00 1.10 0.00 0.00 33.01 34.19 1fiq s GLN 739 CO 0.00 -0.04 0.41 0.34 -0.55 0.00 0.00 175.29 175.45 1fiq s ASP 740 N 0.27 6.82 0.29 6.67 -1.08 -1.26 -1.33 116.67 127.05 1fiq s ASP 740 Ca 0.03 0.97 -0.01 0.00 -0.52 0.00 0.00 52.55 53.03 1fiq s ASP 740 Cb -0.05 -2.25 0.48 0.00 -1.46 0.00 0.00 42.92 39.64 1fiq s ASP 740 CO -0.11 0.32 1.91 0.45 0.52 0.00 0.00 175.17 178.26 1fiq h HIS 741 N 4.69 1.10 -6.62 -5.34 3.86 -1.95 -3.47 115.15 107.42 1fiq h HIS 741 Ca -0.52 0.03 -0.53 0.00 -1.16 0.00 0.00 60.37 58.20 1fiq h HIS 741 Cb 1.22 -0.36 -0.10 0.00 1.06 0.00 0.00 27.41 29.23 1fiq h HIS 741 CO 0.71 0.59 -0.89 0.34 0.86 0.00 0.00 177.93 179.54 1fiq n PHE 742 N -4.48 -1.60 -2.26 2.45 7.35 -1.26 -4.90 117.46 112.75 1fiq n PHE 742 Ca 0.14 0.73 -0.41 0.00 -0.76 0.00 0.00 57.45 57.15 1fiq n PHE 742 Cb 0.17 -3.49 -0.03 0.00 0.35 0.00 0.00 39.48 36.49 1fiq n PHE 742 CO 0.00 0.00 0.00 1.52 -0.76 0.00 0.00 176.76 177.52 1fiq s TYR 743 N -3.93 3.30 0.46 -5.13 -0.85 -1.26 -4.87 117.35 105.07 1fiq s TYR 743 Ca 0.11 1.25 0.19 0.00 -0.52 0.00 0.00 57.07 58.11 1fiq s TYR 743 Cb -0.06 -3.56 1.17 0.00 0.38 0.00 0.00 41.96 39.89 1fiq s TYR 743 CO 0.91 -1.73 1.92 -0.07 -1.52 0.00 0.00 175.55 175.07 1fiq h LEU 744 N 5.52 0.28 -8.91 -3.49 -0.00 -1.89 -3.35 115.31 103.46 1fiq h LEU 744 Ca -0.44 0.02 -0.63 0.00 -0.00 0.00 0.00 57.88 56.82 1fiq h LEU 744 Cb 1.21 -0.04 -0.15 0.00 -0.00 0.00 0.00 40.66 41.68 1fiq h LEU 744 CO 0.77 0.14 -0.30 -0.70 -0.00 0.00 0.00 178.44 178.35 1fiq s GLU 745 N -5.29 3.95 1.10 1.13 2.12 -0.65 -5.08 118.70 115.99 1fiq s GLU 745 Ca -0.07 -0.09 -0.18 0.00 0.36 0.00 0.00 54.97 54.99 1fiq s GLU 745 Cb 0.21 -3.67 0.25 0.00 0.26 0.00 0.00 34.13 31.17 1fiq s GLU 745 CO 0.76 -0.28 1.19 0.95 -0.54 0.00 0.00 175.26 177.34 1fiq s THR 746 N 2.00 1.77 0.69 -1.70 -4.23 -1.26 -4.75 115.64 108.17 1fiq s THR 746 Ca 0.13 0.00 -0.17 0.00 -1.18 0.00 0.00 61.69 60.47 1fiq s THR 746 Cb -0.16 -2.69 0.01 0.00 1.34 0.00 0.00 72.50 71.00 1fiq s THR 746 CO 0.10 0.00 1.28 1.41 -0.54 0.00 0.00 174.62 176.87 1fiq n HIS 747 N -4.34 1.78 -3.64 3.99 -0.00 -1.26 -4.82 115.22 106.94 1fiq n HIS 747 Ca 0.14 0.42 -0.07 0.00 -0.00 0.00 0.00 57.72 58.20 1fiq n HIS 747 Cb 0.59 -2.23 -0.07 0.00 -0.00 0.00 0.00 29.99 28.29 1fiq n HIS 747 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1fiq s THR 749 N 0.64 0.03 -0.14 0.00 2.01 -0.15 -2.20 115.64 115.83 1fiq s THR 749 Ca -0.01 -0.27 0.02 0.00 0.31 0.00 0.00 61.69 61.73 1fiq s THR 749 Cb -0.05 -0.25 0.01 0.00 0.01 0.00 0.00 72.50 72.23 1fiq s THR 749 CO -0.09 -0.15 -0.20 -0.63 -0.69 0.00 0.00 174.62 172.86 1fiq s ILE 750 N -0.47 1.89 -0.14 1.82 1.01 -0.14 -1.37 121.20 123.80 1fiq s ILE 750 Ca -0.05 -0.87 0.01 0.00 0.00 0.00 0.00 60.65 59.74 1fiq s ILE 750 Cb -0.04 -1.69 -0.00 0.00 0.01 0.00 0.00 42.46 40.74 1fiq s ILE 750 CO 0.00 0.52 -0.16 0.00 0.00 0.00 0.00 174.94 175.30 1fiq s ALA 751 N 0.96 2.47 -0.26 9.38 0.00 0.86 -1.12 121.76 134.06 1fiq s ALA 751 Ca -0.05 -1.01 0.03 0.00 0.00 0.00 0.00 51.96 50.93 1fiq s ALA 751 Cb -0.15 -1.17 0.06 0.00 0.00 0.00 0.00 23.12 21.86 1fiq s ALA 751 CO -0.04 0.05 -0.11 0.42 0.00 0.00 0.00 175.76 176.08 1fiq s ILE 752 N 0.69 2.19 -0.20 0.00 1.01 0.13 -1.14 121.20 123.88 1fiq s ILE 752 Ca -0.08 -1.60 -0.28 0.00 0.00 0.00 0.00 60.65 58.69 1fiq s ILE 752 Cb -0.16 -2.27 0.00 0.00 0.01 0.00 0.00 42.46 40.04 1fiq s ILE 752 CO 0.02 -0.00 1.00 -2.16 0.00 0.00 0.00 174.94 173.79 1fiq s PRO 753 N 1.11 4.29 0.00 2.79 0.04 -1.26 -0.51 135.00 141.46 1fiq s PRO 753 Ca -0.08 1.30 0.26 0.00 0.04 0.00 0.00 61.00 62.52 1fiq s PRO 753 Cb -0.20 -3.62 1.29 0.00 0.04 0.00 0.00 34.50 32.02 1fiq s PRO 753 CO -0.05 -0.53 1.87 1.63 0.04 0.00 0.00 177.00 179.96 1fiq n LYS 754 N 5.94 0.35 -0.76 4.56 4.76 -0.59 -4.91 118.16 127.50 1fiq n LYS 754 Ca 0.10 0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.58 1fiq n LYS 754 Cb 0.47 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.16 1fiq n LYS 754 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1fiq n GLY 755 N 0.92 0.88 3.14 0.72 0.00 -1.26 -4.99 105.19 104.60 1fiq n GLY 755 Ca 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 1fiq n GLY 755 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1fiq s GLU 756 N -0.25 1.67 -0.40 1.61 2.02 -1.26 -4.83 118.70 117.26 1fiq s GLU 756 Ca 0.00 -0.61 -0.03 0.00 0.02 0.00 0.00 54.97 54.36 1fiq s GLU 756 Cb 0.00 -1.49 0.02 0.00 0.10 0.00 0.00 34.13 32.76 1fiq s GLU 756 CO 0.00 0.27 0.08 0.39 0.02 0.00 0.00 175.26 176.02 1fiq n GLU 757 N 3.02 -2.70 -0.90 1.61 -0.58 -1.26 -0.06 120.64 119.78 1fiq n GLU 757 Ca -0.17 0.14 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 1fiq n GLU 757 Cb 0.53 -4.67 0.00 0.00 -0.57 0.00 0.00 31.44 26.73 1fiq n GLU 757 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1fiq n GLY 758 N -0.63 0.76 3.60 0.62 0.00 -1.26 -4.95 105.19 103.33 1fiq n GLY 758 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1fiq n GLY 758 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1fiq n GLU 759 N -2.01 1.35 -3.70 1.61 1.02 0.92 -4.83 120.64 115.00 1fiq n GLU 759 Ca 0.00 0.48 -0.11 0.00 -0.02 0.00 0.00 57.16 57.52 1fiq n GLU 759 Cb 0.01 -1.99 -0.11 0.00 -0.02 0.00 0.00 31.44 29.32 1fiq n GLU 759 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 1fiq s MET 760 N -1.90 0.37 -0.16 3.49 1.75 -0.82 -1.55 119.30 120.48 1fiq s MET 760 Ca 0.62 0.77 -0.04 0.00 -1.25 0.00 0.00 55.69 55.79 1fiq s MET 760 Cb -0.59 -0.03 -0.03 0.00 2.84 0.00 0.00 34.83 37.03 1fiq s MET 760 CO 0.58 -0.16 -0.03 -2.00 -0.65 0.00 0.00 175.02 172.76 1fiq s GLU 761 N 1.43 3.70 -0.01 4.11 2.12 0.33 -0.97 118.70 129.40 1fiq s GLU 761 Ca -0.09 -0.50 0.04 0.00 0.36 0.00 0.00 54.97 54.78 1fiq s GLU 761 Cb -0.09 -2.94 -0.01 0.00 0.26 0.00 0.00 34.13 31.35 1fiq s GLU 761 CO -0.12 0.25 -0.13 -0.51 -0.54 0.00 0.00 175.26 174.21 1fiq s LEU 762 N 0.34 2.03 -0.23 2.70 1.02 0.38 0.18 118.68 125.09 1fiq s LEU 762 Ca -0.03 -0.25 -0.04 0.00 0.02 0.00 0.00 54.13 53.83 1fiq s LEU 762 Cb -0.14 -0.68 -0.01 0.00 0.02 0.00 0.00 46.19 45.38 1fiq s LEU 762 CO 0.03 0.16 -0.02 -0.36 0.02 0.00 0.00 176.35 176.18 1fiq s PHE 763 N -0.33 2.99 0.02 0.29 0.40 -0.27 -0.10 117.98 120.98 1fiq s PHE 763 Ca 0.05 -0.91 -0.00 0.00 -0.60 0.00 0.00 56.93 55.47 1fiq s PHE 763 Cb -0.05 -2.13 -0.02 0.00 0.51 0.00 0.00 43.02 41.33 1fiq s PHE 763 CO -0.00 -0.54 -0.03 0.14 0.70 0.00 0.00 175.22 175.49 1fiq s VAL 764 N 1.49 0.11 -0.89 -0.44 -7.23 -0.99 -0.97 120.40 111.48 1fiq s VAL 764 Ca 0.05 -0.91 -0.19 0.00 -1.81 0.00 0.00 61.98 59.13 1fiq s VAL 764 Cb -0.15 -0.27 0.13 0.00 0.56 0.00 0.00 36.38 36.65 1fiq s VAL 764 CO -0.02 -0.50 1.09 -0.55 -0.31 0.00 0.00 175.10 174.81 1fiq s SER 765 N -1.46 6.57 0.02 4.85 0.15 -0.94 -4.53 113.70 118.37 1fiq s SER 765 Ca -0.16 -1.94 -0.18 0.00 0.70 0.00 0.00 55.95 54.38 1fiq s SER 765 Cb -0.10 -2.39 0.03 0.00 -1.71 0.00 0.00 66.02 61.85 1fiq s SER 765 CO -0.01 -1.09 0.39 0.28 1.20 0.00 0.00 173.24 174.01 1fiq s THR 766 N 2.77 0.06 -2.64 6.45 -1.32 -1.26 -4.63 115.64 115.07 1fiq s THR 766 Ca 0.31 -0.46 0.25 0.00 -1.21 0.00 0.00 61.69 60.58 1fiq s THR 766 Cb -0.07 -0.87 0.27 0.00 -1.51 0.00 0.00 72.50 70.33 1fiq s THR 766 CO -0.07 -0.25 1.40 0.00 -2.21 0.00 0.00 174.62 173.48 1fiq n GLN 767 N 0.75 1.88 -3.61 7.08 6.02 -0.37 -4.66 117.38 124.47 1fiq n GLN 767 Ca -0.19 -1.43 -0.28 0.00 -0.01 0.00 0.00 57.00 55.09 1fiq n GLN 767 Cb 0.58 -1.47 -0.11 0.00 1.02 0.00 0.00 30.24 30.26 1fiq n GLN 767 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1fiq s ASN 768 N -2.10 2.95 0.21 1.08 3.84 -1.25 -0.13 114.94 119.54 1fiq s ASN 768 Ca 0.29 -3.29 -0.06 0.00 0.21 0.00 0.00 52.86 50.01 1fiq s ASN 768 Cb 0.20 -0.94 0.18 0.00 -0.55 0.00 0.00 41.25 40.14 1fiq s ASN 768 CO 0.36 -0.15 1.71 0.00 -2.79 0.00 0.00 177.10 176.23 1fiq h ALA 769 N 5.70 0.97 0.85 1.71 0.00 -1.90 -2.66 119.26 123.93 1fiq h ALA 769 Ca 0.19 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1fiq h ALA 769 Cb 0.86 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1fiq h ALA 769 CO 0.51 0.64 -0.48 1.98 0.00 0.00 0.00 179.25 181.90 1fiq h MET 770 N 0.95 -1.19 0.00 0.00 1.85 -1.93 0.40 114.93 115.01 1fiq h MET 770 Ca 0.19 0.08 -0.01 0.00 -0.61 0.00 0.00 59.70 59.35 1fiq h MET 770 Cb 0.45 0.27 -0.00 0.00 0.43 0.00 0.00 31.60 32.75 1fiq h MET 770 CO 0.02 -0.79 -0.03 0.87 -0.40 0.00 0.00 176.91 176.57 1fiq h LYS 771 N -1.23 0.00 -0.30 0.39 1.79 -1.87 0.65 116.57 115.99 1fiq h LYS 771 Ca -0.11 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.28 1fiq h LYS 771 Cb 0.97 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.61 1fiq h LYS 771 CO 0.14 0.03 -0.09 1.15 -1.08 0.00 0.00 179.45 179.60 1fiq h THR 772 N 0.00 1.28 0.03 -0.16 2.02 -1.19 -1.04 112.91 113.85 1fiq h THR 772 Ca -0.00 -1.15 0.00 0.00 0.77 0.00 0.00 66.41 66.04 1fiq h THR 772 Cb 0.06 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 1fiq h THR 772 CO 0.00 0.37 -0.04 -0.61 0.37 0.00 0.00 175.52 175.61 1fiq h GLN 773 N 0.36 -0.09 0.43 6.66 4.15 0.92 -2.25 115.11 125.30 1fiq h GLN 773 Ca 0.07 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.49 1fiq h GLN 773 Cb 0.59 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.29 1fiq h GLN 773 CO 0.03 -0.06 -0.32 0.77 -1.93 0.00 0.00 178.83 177.32 1fiq h SER 774 N -0.09 -0.83 -1.00 -0.69 0.02 -0.90 -2.47 113.55 107.60 1fiq h SER 774 Ca 0.01 0.06 0.14 0.00 -0.84 0.00 0.00 61.79 61.16 1fiq h SER 774 Cb 0.10 0.26 -0.09 0.00 0.14 0.00 0.00 62.40 62.81 1fiq h SER 774 CO -0.03 -0.48 0.62 -0.26 -1.14 0.00 0.00 176.83 175.54 1fiq h PHE 775 N -0.74 1.10 -0.19 3.45 -1.00 -1.17 0.10 116.94 118.48 1fiq h PHE 775 Ca -0.04 0.03 -0.17 0.00 2.81 0.00 0.00 57.97 60.60 1fiq h PHE 775 Cb 0.63 -0.34 -0.00 0.00 3.61 0.00 0.00 35.95 39.85 1fiq h PHE 775 CO -0.14 0.38 -0.59 0.28 -1.61 0.00 0.00 178.31 176.63 1fiq h VAL 776 N 0.91 1.32 -0.22 -0.55 2.07 -1.31 -2.19 116.25 116.27 1fiq h VAL 776 Ca 0.52 -1.84 -0.16 0.00 0.82 0.00 0.00 66.70 66.04 1fiq h VAL 776 Cb 0.63 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 32.19 1fiq h VAL 776 CO -0.29 0.58 -0.51 0.00 0.02 0.00 0.00 177.57 177.36 1fiq h ALA 777 N 0.88 0.69 -0.16 1.67 0.00 -0.87 -1.61 119.26 119.86 1fiq h ALA 777 Ca 0.00 -0.50 -0.15 0.00 0.00 0.00 0.00 54.91 54.27 1fiq h ALA 777 Cb 1.15 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1fiq h ALA 777 CO 0.11 0.68 -0.53 -0.22 0.00 0.00 0.00 179.25 179.30 1fiq h LYS 778 N 0.48 0.45 0.01 0.00 3.64 -0.78 1.00 116.57 121.38 1fiq h LYS 778 Ca 0.02 -0.27 -0.20 0.00 -1.27 0.00 0.00 60.65 58.93 1fiq h LYS 778 Cb 1.06 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.90 1fiq h LYS 778 CO 0.10 0.87 -0.89 0.00 -2.27 0.00 0.00 179.45 177.25 1fiq h MET 779 N 0.35 0.17 0.00 1.90 -0.00 -1.34 -1.76 114.93 114.25 1fiq h MET 779 Ca 0.01 -0.19 -0.16 0.00 -0.00 0.00 0.00 59.70 59.36 1fiq h MET 779 Cb 1.04 0.06 -0.02 0.00 -0.00 0.00 0.00 31.60 32.68 1fiq h MET 779 CO 0.09 0.95 -0.76 -0.07 -0.00 0.00 0.00 176.91 177.13 1fiq h LEU 780 N 0.09 0.00 -2.25 -0.10 3.38 -1.10 0.28 115.31 115.61 1fiq h LEU 780 Ca -0.04 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 1fiq h LEU 780 Cb 1.53 0.00 0.05 0.00 0.09 0.00 0.00 40.66 42.34 1fiq h LEU 780 CO 0.13 0.73 -0.23 0.61 0.09 0.00 0.00 178.44 179.78 1fiq n GLY 781 N 1.29 0.26 3.04 0.83 0.00 0.33 -3.22 105.19 107.72 1fiq n GLY 781 Ca 0.01 -0.21 -0.08 0.00 0.00 0.00 0.00 46.02 45.73 1fiq n GLY 781 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fiq s VAL 782 N -3.10 0.19 0.43 1.61 1.01 -0.20 -4.92 120.40 115.42 1fiq s VAL 782 Ca 0.05 -1.42 -0.26 0.00 0.00 0.00 0.00 61.98 60.36 1fiq s VAL 782 Cb -0.01 -0.97 -0.08 0.00 0.00 0.00 0.00 36.38 35.32 1fiq s VAL 782 CO 0.21 -0.77 1.34 -2.16 0.00 0.00 0.00 175.10 173.72 1fiq s PRO 783 N -2.83 3.84 0.57 2.72 0.04 -1.26 -4.53 135.00 133.54 1fiq s PRO 783 Ca -0.03 2.23 0.31 0.00 0.04 0.00 0.00 61.00 63.55 1fiq s PRO 783 Cb -0.00 -2.69 1.45 0.00 0.04 0.00 0.00 34.50 33.30 1fiq s PRO 783 CO -0.06 -0.63 1.85 0.28 0.04 0.00 0.00 177.00 178.48 1fiq h VAL 784 N 2.36 0.42 0.00 -0.36 2.07 -1.92 -1.36 116.25 117.46 1fiq h VAL 784 Ca -0.50 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1fiq h VAL 784 Cb 1.25 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1fiq h VAL 784 CO 0.62 0.00 0.00 -0.46 0.02 0.00 0.00 177.57 177.75 1fiq n ASN 785 N -3.95 0.00 -0.02 0.57 6.94 -1.26 -2.40 115.26 115.14 1fiq n ASN 785 Ca 0.15 -0.75 0.08 0.00 -0.02 0.00 0.00 54.58 54.03 1fiq n ASN 785 Cb 0.89 0.00 -0.16 0.00 -2.36 0.00 0.00 39.78 38.15 1fiq n ASN 785 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1fiq n ARG 786 N -0.79 0.66 -3.49 -3.83 5.12 -0.51 -4.91 116.66 108.91 1fiq n ARG 786 Ca 0.07 -0.14 -0.38 0.00 -1.93 0.00 0.00 57.85 55.47 1fiq n ARG 786 Cb 0.03 -1.54 -0.09 0.00 -1.16 0.00 0.00 32.46 29.71 1fiq n ARG 786 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1fiq s ILE 787 N -3.34 5.25 -0.25 0.55 -1.09 -1.01 -1.95 121.20 119.36 1fiq s ILE 787 Ca -0.08 0.49 -0.03 0.00 -2.23 0.00 0.00 60.65 58.80 1fiq s ILE 787 Cb 0.12 -3.64 0.02 0.00 -1.58 0.00 0.00 42.46 37.38 1fiq s ILE 787 CO 0.89 0.27 -0.04 -0.22 -1.23 0.00 0.00 174.94 174.61 1fiq s LEU 788 N 1.36 3.20 -0.20 2.97 2.96 -0.15 -4.94 118.68 123.88 1fiq s LEU 788 Ca 0.14 -0.74 -0.06 0.00 -0.22 0.00 0.00 54.13 53.25 1fiq s LEU 788 Cb -0.15 -1.71 -0.03 0.00 0.50 0.00 0.00 46.19 44.81 1fiq s LEU 788 CO 0.07 -0.11 0.03 -0.69 -1.32 0.00 0.00 176.35 174.33 1fiq s VAL 789 N 1.38 4.22 -0.09 1.68 1.01 -1.26 -0.47 120.40 126.87 1fiq s VAL 789 Ca 0.02 -0.22 0.04 0.00 0.00 0.00 0.00 61.98 61.82 1fiq s VAL 789 Cb -0.16 -2.91 -0.01 0.00 0.00 0.00 0.00 36.38 33.30 1fiq s VAL 789 CO -0.03 0.42 -0.23 -0.13 0.00 0.00 0.00 175.10 175.13 1fiq s ARG 790 N 0.90 2.91 -0.23 2.72 0.52 0.85 -1.97 118.95 124.66 1fiq s ARG 790 Ca 0.02 -0.86 0.01 0.00 -0.52 0.00 0.00 55.73 54.38 1fiq s ARG 790 Cb -0.14 -2.29 0.05 0.00 0.52 0.00 0.00 34.95 33.09 1fiq s ARG 790 CO 0.02 0.26 -0.08 0.08 0.02 0.00 0.00 175.30 175.60 1fiq s VAL 791 N 0.16 1.73 -0.12 3.52 1.01 0.67 -2.34 120.40 125.02 1fiq s VAL 791 Ca -0.13 -1.26 -0.14 0.00 0.00 0.00 0.00 61.98 60.46 1fiq s VAL 791 Cb -0.16 -1.89 -0.12 0.00 0.00 0.00 0.00 36.38 34.20 1fiq s VAL 791 CO 0.07 0.00 0.32 0.50 0.00 0.00 0.00 175.10 175.99 1fiq h LYS 792 N 7.91 0.00 -2.07 2.72 1.63 -1.83 0.07 116.57 125.01 1fiq h LYS 792 Ca -0.21 0.00 0.22 0.00 -0.85 0.00 0.00 60.65 59.81 1fiq h LYS 792 Cb 1.07 0.00 -0.09 0.00 -0.60 0.00 0.00 32.23 32.61 1fiq h LYS 792 CO 0.44 0.46 0.59 -0.98 -3.45 0.00 0.00 179.45 176.52 1fiq s ARG 793 N -1.91 0.95 -0.01 1.90 1.70 -1.26 -4.62 118.95 115.70 1fiq s ARG 793 Ca -0.10 -0.52 0.05 0.00 -0.47 0.00 0.00 55.73 54.68 1fiq s ARG 793 Cb -0.01 0.33 -0.01 0.00 -0.57 0.00 0.00 34.95 34.69 1fiq s ARG 793 CO 0.33 -0.44 -0.15 -1.64 -1.08 0.00 0.00 175.30 172.32 1fiq s MET 794 N -3.02 1.25 -1.47 3.89 -1.94 -0.15 -4.61 119.30 113.25 1fiq s MET 794 Ca 0.13 -0.55 -0.08 0.00 -1.71 0.00 0.00 55.69 53.48 1fiq s MET 794 Cb 0.00 -1.21 0.02 0.00 2.01 0.00 0.00 34.83 35.66 1fiq s MET 794 CO 0.00 0.33 2.62 0.41 -0.01 0.00 0.00 175.02 178.37 1fiq n GLY 795 N 2.71 4.72 0.00 -0.03 0.00 -1.26 -4.27 105.19 107.06 1fiq n GLY 795 Ca -0.14 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.09 1fiq n GLY 795 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fiq n GLY 796 N 2.72 0.58 1.36 -0.02 0.00 -1.19 -1.63 105.19 107.01 1fiq n GLY 796 Ca 0.68 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 45.21 1fiq n GLY 796 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fiq n GLY 797 N 1.03 0.00 1.71 -0.02 0.00 -1.26 -4.80 105.19 101.84 1fiq n GLY 797 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 1fiq n GLY 797 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1fiq n PHE 798 N -2.21 -0.47 0.00 1.61 3.01 -1.26 -0.04 117.46 118.10 1fiq n PHE 798 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1fiq n PHE 798 Cb 0.01 -1.30 0.00 0.00 -0.01 0.00 0.00 39.48 38.18 1fiq n PHE 798 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1fiq n GLY 799 N 0.04 2.37 0.00 1.37 0.00 -1.26 -0.16 105.19 107.55 1fiq n GLY 799 Ca -0.03 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.05 1fiq n GLY 799 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fiq n GLY 800 N -0.49 -0.68 0.10 -0.02 0.00 0.94 -1.95 105.19 103.10 1fiq n GLY 800 Ca 0.00 -0.06 0.10 0.00 0.00 0.00 0.00 46.02 46.05 1fiq n GLY 800 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1fiq n LYS 801 N -1.26 1.28 0.11 1.61 5.02 -1.23 -4.26 118.16 119.42 1fiq n LYS 801 Ca 0.06 -2.59 0.00 0.00 -2.02 0.00 0.00 58.31 53.76 1fiq n LYS 801 Cb 0.10 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.59 1fiq n LYS 801 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1fiq h GLU 802 N 0.05 0.00 0.00 1.97 4.81 -1.72 -0.96 114.58 118.73 1fiq h GLU 802 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1fiq h GLU 802 Cb 1.01 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.39 1fiq h GLU 802 CO 0.00 0.56 0.00 0.25 -0.73 0.00 0.00 179.01 179.09 1fiq n THR 803 N -3.19 0.00 0.16 0.32 -2.24 -1.26 -4.49 114.28 103.57 1fiq n THR 803 Ca -0.01 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.86 1fiq n THR 803 Cb 0.80 -0.30 0.44 0.00 -2.10 0.00 0.00 70.33 69.16 1fiq n THR 803 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1fiq n ARG 804 N -2.43 0.11 0.26 -0.78 5.12 -1.26 -0.89 116.66 116.78 1fiq n ARG 804 Ca 0.00 0.59 0.13 0.00 -1.93 0.00 0.00 57.85 56.64 1fiq n ARG 804 Cb 0.00 -2.03 0.68 0.00 -1.16 0.00 0.00 32.46 29.95 1fiq n ARG 804 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1fiq h SER 805 N 0.00 0.00 0.61 0.55 4.64 -1.82 -1.94 113.55 115.59 1fiq h SER 805 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1fiq h SER 805 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1fiq h SER 805 CO 0.00 0.13 0.00 0.35 -0.87 0.00 0.00 176.83 176.44 1fiq n THR 806 N -3.51 0.91 -0.24 2.95 -2.24 -0.07 -2.46 114.28 109.63 1fiq n THR 806 Ca -0.01 0.27 -0.06 0.00 -2.27 0.00 0.00 64.05 61.98 1fiq n THR 806 Cb 0.28 -1.15 0.05 0.00 -2.10 0.00 0.00 70.33 67.41 1fiq n THR 806 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1fiq h LEU 807 N 0.00 0.79 0.13 3.22 3.38 -1.55 -2.01 115.31 119.26 1fiq h LEU 807 Ca 0.00 -0.04 -0.22 0.00 0.09 0.00 0.00 57.88 57.71 1fiq h LEU 807 Cb 0.31 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 40.87 1fiq h LEU 807 CO 0.00 0.60 -1.02 0.58 0.09 0.00 0.00 178.44 178.69 1fiq h VAL 808 N 0.91 1.34 -0.24 1.22 2.07 -1.70 -3.30 116.25 116.55 1fiq h VAL 808 Ca 0.24 -2.48 0.06 0.00 0.82 0.00 0.00 66.70 65.34 1fiq h VAL 808 Cb -0.06 3.02 -0.08 0.00 -1.52 0.00 0.00 31.29 32.65 1fiq h VAL 808 CO -0.05 0.70 -0.38 0.28 0.02 0.00 0.00 177.57 178.15 1fiq h SER 809 N -0.37 -1.21 -0.81 0.57 0.02 -1.39 -0.65 113.55 109.71 1fiq h SER 809 Ca -0.20 0.18 0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1fiq h SER 809 Cb 1.67 0.52 -0.04 0.00 0.14 0.00 0.00 62.40 64.69 1fiq h SER 809 CO 0.11 -0.38 0.54 0.58 -1.14 0.00 0.00 176.83 176.54 1fiq h VAL 810 N -0.39 1.21 -0.89 2.27 2.07 -1.55 0.16 116.25 119.13 1fiq h VAL 810 Ca 0.11 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 1fiq h VAL 810 Cb 0.58 0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.32 1fiq h VAL 810 CO -0.45 0.20 0.49 0.00 0.02 0.00 0.00 177.57 177.83 1fiq h ALA 811 N 1.30 1.18 -0.01 1.67 0.00 -1.45 -0.81 119.26 121.13 1fiq h ALA 811 Ca 0.30 -0.13 -0.20 0.00 0.00 0.00 0.00 54.91 54.88 1fiq h ALA 811 Cb -0.12 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.30 1fiq h ALA 811 CO -0.07 0.66 -0.85 0.28 0.00 0.00 0.00 179.25 179.27 1fiq h VAL 812 N 1.25 1.46 -0.52 0.00 2.07 -0.54 -2.72 116.25 117.24 1fiq h VAL 812 Ca 0.31 -2.49 -0.03 0.00 0.82 0.00 0.00 66.70 65.31 1fiq h VAL 812 Cb 0.03 2.39 -0.02 0.00 -1.52 0.00 0.00 31.29 32.16 1fiq h VAL 812 CO -0.05 0.73 0.21 0.00 0.02 0.00 0.00 177.57 178.48 1fiq h ALA 813 N 0.95 0.67 -0.10 1.67 0.00 -0.33 -1.01 119.26 121.12 1fiq h ALA 813 Ca -0.05 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.73 1fiq h ALA 813 Cb 1.46 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1fiq h ALA 813 CO 0.13 0.28 -0.00 1.25 0.00 0.00 0.00 179.25 180.91 1fiq h LEU 814 N 0.70 -0.05 -1.49 0.00 5.85 -1.11 -0.45 115.31 118.77 1fiq h LEU 814 Ca 0.17 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.98 1fiq h LEU 814 Cb 0.19 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 1fiq h LEU 814 CO -0.01 -0.01 0.42 0.00 -0.34 0.00 0.00 178.44 178.49 1fiq h ALA 815 N 1.09 1.78 -0.14 1.25 0.00 -1.19 0.32 119.26 122.36 1fiq h ALA 815 Ca 0.05 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1fiq h ALA 815 Cb 0.06 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1fiq h ALA 815 CO -0.08 0.12 -0.01 0.00 0.00 0.00 0.00 179.25 179.28 1fiq h ALA 816 N 1.66 0.19 0.91 0.00 0.00 -0.50 -1.34 119.26 120.18 1fiq h ALA 816 Ca 0.27 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1fiq h ALA 816 Cb 0.26 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.01 1fiq h ALA 816 CO -0.08 -0.09 -0.44 -0.92 0.00 0.00 0.00 179.25 177.72 1fiq h TYR 817 N -0.03 -1.14 -0.78 0.00 3.20 0.03 0.82 116.97 119.07 1fiq h TYR 817 Ca 0.04 -0.03 0.12 0.00 3.14 0.00 0.00 58.73 62.00 1fiq h TYR 817 Cb 0.41 0.38 -0.08 0.00 1.54 0.00 0.00 36.73 38.97 1fiq h TYR 817 CO 0.04 -0.71 0.39 -0.22 -1.64 0.00 0.00 178.16 176.03 1fiq h LYS 818 N -1.23 0.60 0.00 1.82 3.11 -0.48 -2.90 116.57 117.50 1fiq h LYS 818 Ca -0.13 -0.04 0.00 0.00 -2.81 0.00 0.00 60.65 57.68 1fiq h LYS 818 Cb 0.94 -0.14 0.00 0.00 -1.00 0.00 0.00 32.23 32.03 1fiq h LYS 818 CO 0.21 0.40 -1.19 0.25 -2.81 0.00 0.00 179.45 176.31 1fiq n THR 819 N -4.86 0.34 -1.31 1.00 -2.24 -0.51 -4.95 114.28 101.75 1fiq n THR 819 Ca 0.14 -0.43 -0.11 0.00 -2.27 0.00 0.00 64.05 61.39 1fiq n THR 819 Cb 0.34 -0.09 -0.05 0.00 -2.10 0.00 0.00 70.33 68.44 1fiq n THR 819 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fiq n GLY 820 N 1.26 1.18 3.44 3.38 0.00 0.29 -4.99 105.19 109.75 1fiq n GLY 820 Ca -0.00 -0.41 -0.30 0.00 0.00 0.00 0.00 46.02 45.32 1fiq n GLY 820 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1fiq s HIS 821 N -2.32 2.46 0.33 1.61 3.76 -1.18 -4.90 115.29 115.06 1fiq s HIS 821 Ca 0.00 -0.31 -0.28 0.00 -0.15 0.00 0.00 55.06 54.32 1fiq s HIS 821 Cb 0.00 -1.36 -0.10 0.00 1.11 0.00 0.00 32.58 32.23 1fiq s HIS 821 CO 0.00 0.31 1.26 -1.25 -0.85 0.00 0.00 174.74 174.21 1fiq s PRO 822 N -1.85 4.37 0.03 8.40 0.04 -1.26 -4.29 135.00 140.44 1fiq s PRO 822 Ca 0.15 2.11 0.02 0.00 0.04 0.00 0.00 61.00 63.33 1fiq s PRO 822 Cb -0.10 -3.05 -0.02 0.00 0.04 0.00 0.00 34.50 31.37 1fiq s PRO 822 CO 0.07 -0.14 -0.07 0.08 0.04 0.00 0.00 177.00 176.98 1fiq s VAL 823 N -1.17 0.51 0.12 -0.36 1.01 -0.29 -0.87 120.40 119.36 1fiq s VAL 823 Ca 0.49 -0.88 -0.01 0.00 0.00 0.00 0.00 61.98 61.58 1fiq s VAL 823 Cb -0.38 -0.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.41 1fiq s VAL 823 CO 0.50 -0.27 0.04 0.00 0.00 0.00 0.00 175.10 175.37 1fiq s ARG 824 N -1.24 0.90 -0.29 2.72 1.70 -0.99 -0.10 118.95 121.65 1fiq s ARG 824 Ca -0.07 -1.42 -0.16 0.00 -0.47 0.00 0.00 55.73 53.61 1fiq s ARG 824 Cb -0.08 0.21 0.12 0.00 -0.57 0.00 0.00 34.95 34.63 1fiq s ARG 824 CO 0.00 -0.24 0.87 0.00 -1.08 0.00 0.00 175.30 174.86 1fiq s MET 826 N 1.55 1.75 0.44 0.00 0.00 -1.26 -0.98 119.30 120.80 1fiq s MET 826 Ca -0.09 -0.40 -0.23 0.00 0.00 0.00 0.00 55.69 54.97 1fiq s MET 826 Cb -0.04 -1.56 -0.08 0.00 0.00 0.00 0.00 34.83 33.15 1fiq s MET 826 CO -0.17 -0.08 1.12 -0.51 0.00 0.00 0.00 175.02 175.39 1fiq s LEU 827 N 1.04 4.06 0.70 4.11 1.43 -0.73 -5.01 118.68 124.28 1fiq s LEU 827 Ca -0.07 2.21 -0.11 0.00 -1.03 0.00 0.00 54.13 55.13 1fiq s LEU 827 Cb -0.15 -4.22 0.01 0.00 0.03 0.00 0.00 46.19 41.86 1fiq s LEU 827 CO -0.01 -0.76 1.08 -1.81 0.23 0.00 0.00 176.35 175.08 1fiq s ASP 828 N -1.43 5.50 0.26 2.29 1.01 -1.26 -4.71 116.67 118.33 1fiq s ASP 828 Ca 0.61 1.25 -0.03 0.00 0.71 0.00 0.00 52.55 55.09 1fiq s ASP 828 Cb -0.26 -2.10 0.40 0.00 1.01 0.00 0.00 42.92 41.96 1fiq s ASP 828 CO 0.32 -1.32 1.85 -0.09 0.21 0.00 0.00 175.17 176.15 1fiq h ARG 829 N -0.64 0.99 -0.26 8.23 9.65 -1.96 -1.57 114.38 128.82 1fiq h ARG 829 Ca -0.45 -0.06 -0.08 0.00 -1.10 0.00 0.00 59.98 58.29 1fiq h ARG 829 Cb 1.24 -0.22 -0.01 0.00 -1.39 0.00 0.00 29.97 29.58 1fiq h ARG 829 CO 0.62 0.66 -0.17 -2.95 2.80 0.00 0.00 179.97 180.92 1fiq h ASN 830 N 1.02 0.46 -0.18 -3.80 -1.07 -1.93 -1.92 115.58 108.16 1fiq h ASN 830 Ca 0.41 -0.13 -0.08 0.00 0.07 0.00 0.00 56.30 56.57 1fiq h ASN 830 Cb 0.24 -0.12 -0.00 0.00 -2.07 0.00 0.00 38.32 36.36 1fiq h ASN 830 CO -0.20 0.65 -0.20 -0.33 0.07 0.00 0.00 177.43 177.42 1fiq h GLU 831 N 0.42 0.45 0.44 4.14 5.08 -1.79 -3.05 114.58 120.28 1fiq h GLU 831 Ca 0.07 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 1fiq h GLU 831 Cb 0.55 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 1fiq h GLU 831 CO 0.04 0.82 -0.48 0.22 -1.00 0.00 0.00 179.01 178.61 1fiq h ASP 832 N 0.10 -1.33 -0.41 1.42 3.58 -1.03 -0.64 116.42 118.11 1fiq h ASP 832 Ca 0.02 0.11 0.01 0.00 0.42 0.00 0.00 57.03 57.60 1fiq h ASP 832 Cb 0.75 0.44 -0.02 0.00 1.72 0.00 0.00 39.33 42.23 1fiq h ASP 832 CO 0.05 -0.63 0.27 0.24 -2.88 0.00 0.00 179.24 176.29 1fiq h MET 833 N -0.94 0.51 -0.14 0.28 2.86 -1.47 -2.23 114.93 113.80 1fiq h MET 833 Ca -0.05 -0.03 -0.12 0.00 -2.06 0.00 0.00 59.70 57.44 1fiq h MET 833 Cb 0.83 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.38 1fiq h MET 833 CO -0.08 0.34 -0.39 1.25 1.06 0.00 0.00 176.91 179.09 1fiq h LEU 834 N 0.52 0.58 0.00 1.22 5.85 -1.38 -3.40 115.31 118.70 1fiq h LEU 834 Ca 0.15 -0.59 -0.26 0.00 0.84 0.00 0.00 57.88 58.02 1fiq h LEU 834 Cb -0.02 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.81 1fiq h LEU 834 CO -0.03 1.06 -1.45 -0.38 -0.34 0.00 0.00 178.44 177.30 1fiq n ILE 835 N -4.31 1.53 0.15 4.05 5.41 -0.27 -4.56 119.36 121.35 1fiq n ILE 835 Ca -0.07 -0.07 0.03 0.00 1.00 0.00 0.00 62.75 63.64 1fiq n ILE 835 Cb 0.53 -2.03 0.14 0.00 -0.71 0.00 0.00 39.64 37.56 1fiq n ILE 835 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1fiq n THR 836 N -4.41 1.64 -0.42 1.39 -2.24 -0.85 -4.66 114.28 104.73 1fiq n THR 836 Ca -0.35 0.45 0.06 0.00 -2.27 0.00 0.00 64.05 61.94 1fiq n THR 836 Cb 0.70 -1.39 -0.02 0.00 -2.10 0.00 0.00 70.33 67.52 1fiq n THR 836 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fiq n GLY 837 N -1.08 -1.88 0.00 3.38 0.00 -1.26 -4.80 105.19 99.55 1fiq n GLY 837 Ca 0.01 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.63 1fiq n GLY 837 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fiq n GLY 838 N -2.61 4.10 3.78 -0.02 0.00 -1.26 -4.78 105.19 104.40 1fiq n GLY 838 Ca -0.01 -0.58 -0.35 0.00 0.00 0.00 0.00 46.02 45.08 1fiq n GLY 838 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1fiq s ARG 839 N 2.92 3.66 -0.23 1.61 3.52 -0.44 -0.90 118.95 129.09 1fiq s ARG 839 Ca 0.00 1.58 -0.29 0.00 -0.13 0.00 0.00 55.73 56.89 1fiq s ARG 839 Cb 0.00 -2.19 0.00 0.00 -1.56 0.00 0.00 34.95 31.20 1fiq s ARG 839 CO 0.00 -0.59 1.15 -1.01 -0.81 0.00 0.00 175.30 174.04 1fiq s HIS 840 N -1.75 3.07 0.23 5.12 3.76 -1.26 -4.07 115.29 120.39 1fiq s HIS 840 Ca 0.67 1.21 -0.30 0.00 -0.15 0.00 0.00 55.06 56.49 1fiq s HIS 840 Cb -0.23 -3.48 -0.09 0.00 1.11 0.00 0.00 32.58 29.89 1fiq s HIS 840 CO 0.27 -1.07 1.14 -2.14 -0.85 0.00 0.00 174.74 172.08 1fiq s PRO 841 N 3.48 4.58 -0.01 8.40 0.02 -1.26 -4.73 135.00 145.48 1fiq s PRO 841 Ca 0.49 1.82 0.05 0.00 0.02 0.00 0.00 61.00 63.39 1fiq s PRO 841 Cb -0.17 -3.22 -0.03 0.00 0.02 0.00 0.00 34.50 31.10 1fiq s PRO 841 CO 0.12 0.08 -0.16 -0.06 -0.33 0.00 0.00 177.00 176.65 1fiq s PHE 842 N -0.63 2.63 -0.11 6.54 2.99 -0.41 -1.70 117.98 127.30 1fiq s PHE 842 Ca 0.48 -0.21 0.03 0.00 0.00 0.00 0.00 56.93 57.23 1fiq s PHE 842 Cb -0.32 -1.55 -0.01 0.00 0.00 0.00 0.00 43.02 41.15 1fiq s PHE 842 CO 0.39 0.21 -0.21 -1.17 -0.00 0.00 0.00 175.22 174.44 1fiq s LEU 843 N -1.07 2.28 0.07 -0.37 2.96 0.25 -0.70 118.68 122.10 1fiq s LEU 843 Ca 0.13 -0.49 0.04 0.00 -0.22 0.00 0.00 54.13 53.60 1fiq s LEU 843 Cb -0.11 -1.47 -0.03 0.00 0.50 0.00 0.00 46.19 45.09 1fiq s LEU 843 CO 0.03 0.17 -0.13 0.00 -1.32 0.00 0.00 176.35 175.10 1fiq s ALA 844 N 0.30 1.05 -0.22 5.97 0.00 0.37 -0.38 121.76 128.85 1fiq s ALA 844 Ca -0.16 -0.96 -0.03 0.00 0.00 0.00 0.00 51.96 50.81 1fiq s ALA 844 Cb -0.17 -0.06 0.07 0.00 0.00 0.00 0.00 23.12 22.96 1fiq s ALA 844 CO 0.08 0.12 0.06 1.03 0.00 0.00 0.00 175.76 177.05 1fiq s ARG 845 N -1.77 0.52 0.32 0.00 0.52 -1.07 0.29 118.95 117.77 1fiq s ARG 845 Ca -0.03 -0.48 0.02 0.00 -0.52 0.00 0.00 55.73 54.72 1fiq s ARG 845 Cb -0.10 -1.95 0.02 0.00 0.52 0.00 0.00 34.95 33.45 1fiq s ARG 845 CO 0.02 -0.74 0.19 2.48 0.02 0.00 0.00 175.30 177.27 1fiq n TYR 846 N 5.08 -0.58 -3.39 -0.53 0.18 -0.27 -1.07 117.16 116.58 1fiq n TYR 846 Ca -0.07 -1.42 0.02 0.00 1.88 0.00 0.00 57.90 58.31 1fiq n TYR 846 Cb 0.46 -0.25 -0.04 0.00 -0.38 0.00 0.00 39.34 39.12 1fiq n TYR 846 CO 0.00 0.00 0.00 0.21 -2.08 0.00 0.00 176.86 174.99 1fiq s LYS 847 N -3.29 0.24 -0.01 -3.48 2.20 0.03 -2.35 119.74 113.07 1fiq s LYS 847 Ca 0.14 0.58 0.08 0.00 -0.36 0.00 0.00 55.97 56.41 1fiq s LYS 847 Cb -0.01 0.32 -0.02 0.00 -1.51 0.00 0.00 37.83 36.61 1fiq s LYS 847 CO 0.09 -0.08 -0.25 0.08 -0.36 0.00 0.00 175.35 174.83 1fiq s VAL 848 N 2.24 2.00 -0.13 4.02 1.01 0.46 -0.69 120.40 129.30 1fiq s VAL 848 Ca -0.03 -1.11 0.01 0.00 0.00 0.00 0.00 61.98 60.86 1fiq s VAL 848 Cb -0.05 -1.66 -0.00 0.00 0.00 0.00 0.00 36.38 34.67 1fiq s VAL 848 CO -0.17 0.54 -0.17 -0.83 0.00 0.00 0.00 175.10 174.47 1fiq s GLY 849 N -0.66 1.45 0.13 4.51 0.00 0.59 -0.72 107.32 112.63 1fiq s GLY 849 Ca 0.10 -0.98 -0.14 0.00 0.00 0.00 0.00 44.72 43.69 1fiq s GLY 849 CO -0.01 -0.13 0.37 -0.11 0.00 0.00 0.00 173.10 173.23 1fiq s PHE 850 N 0.56 -0.07 0.78 1.90 -0.12 -0.53 -0.63 117.98 119.86 1fiq s PHE 850 Ca -0.10 -0.27 -0.08 0.00 -0.05 0.00 0.00 56.93 56.43 1fiq s PHE 850 Cb -0.16 0.19 0.11 0.00 -0.63 0.00 0.00 43.02 42.54 1fiq s PHE 850 CO 0.04 -0.71 1.09 -1.64 -0.05 0.00 0.00 175.22 173.95 1fiq s MET 851 N -3.84 1.65 0.00 1.99 -1.94 -0.25 -0.96 119.30 115.95 1fiq s MET 851 Ca 0.05 -0.51 0.24 0.00 -1.71 0.00 0.00 55.69 53.76 1fiq s MET 851 Cb 0.02 -2.12 1.42 0.00 2.01 0.00 0.00 34.83 36.15 1fiq s MET 851 CO -0.09 -1.60 1.91 1.63 -0.01 0.00 0.00 175.02 176.85 1fiq n LYS 852 N -3.12 1.00 0.00 2.03 5.02 -1.26 -2.01 118.16 119.82 1fiq n LYS 852 Ca 0.12 -0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.53 1fiq n LYS 852 Cb 0.60 -1.37 0.37 0.00 -0.02 0.00 0.00 35.03 34.61 1fiq n LYS 852 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1fiq n THR 853 N -0.87 0.00 -0.70 -0.18 -1.04 -1.26 -4.91 114.28 105.33 1fiq n THR 853 Ca 0.18 -0.11 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 1fiq n THR 853 Cb 0.08 0.35 0.00 0.00 -1.82 0.00 0.00 70.33 68.94 1fiq n THR 853 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1fiq n GLY 854 N 1.36 0.64 3.68 3.41 0.00 -0.85 -4.90 105.19 108.53 1fiq n GLY 854 Ca 0.11 -0.12 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 1fiq n GLY 854 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fiq s THR 855 N -2.00 5.07 0.25 2.61 2.01 -1.26 -4.77 115.64 117.55 1fiq s THR 855 Ca 0.00 1.16 -0.30 0.00 0.31 0.00 0.00 61.69 62.86 1fiq s THR 855 Cb 0.00 -3.92 -0.09 0.00 0.01 0.00 0.00 72.50 68.49 1fiq s THR 855 CO 0.00 0.19 0.96 -0.63 -0.69 0.00 0.00 174.62 174.45 1fiq s ILE 856 N 1.41 3.99 0.00 1.82 1.09 -1.26 -1.09 121.20 127.17 1fiq s ILE 856 Ca 0.29 2.01 0.00 0.00 -1.10 0.00 0.00 60.65 61.85 1fiq s ILE 856 Cb -0.16 -4.28 0.00 0.00 -1.06 0.00 0.00 42.46 36.96 1fiq s ILE 856 CO 0.12 0.48 0.02 0.52 -0.10 0.00 0.00 174.94 175.97 1fiq n VAL 857 N 1.44 0.00 -3.54 2.92 0.31 0.20 -4.66 118.33 114.99 1fiq n VAL 857 Ca -0.02 -0.04 -0.00 0.00 -0.01 0.00 0.00 64.34 64.27 1fiq n VAL 857 Cb 0.47 1.47 -0.04 0.00 -0.91 0.00 0.00 33.84 34.82 1fiq n VAL 857 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1fiq s ALA 858 N -0.04 -2.33 0.05 3.52 0.00 -0.83 -3.74 121.76 118.38 1fiq s ALA 858 Ca 0.00 2.22 0.05 0.00 0.00 0.00 0.00 51.96 54.23 1fiq s ALA 858 Cb 0.00 -1.89 -0.02 0.00 0.00 0.00 0.00 23.12 21.20 1fiq s ALA 858 CO 0.00 -0.92 -0.13 -1.17 0.00 0.00 0.00 175.76 173.53 1fiq s LEU 859 N 2.66 2.22 -0.12 0.00 2.96 -0.92 0.22 118.68 125.71 1fiq s LEU 859 Ca -0.05 -0.52 -0.07 0.00 -0.22 0.00 0.00 54.13 53.27 1fiq s LEU 859 Cb -0.09 -0.52 0.05 0.00 0.50 0.00 0.00 46.19 46.12 1fiq s LEU 859 CO -0.18 -0.03 0.29 -0.70 -1.32 0.00 0.00 176.35 174.40 1fiq s GLU 860 N -1.40 0.27 -0.10 1.98 2.12 0.13 -2.08 118.70 119.61 1fiq s GLU 860 Ca -0.01 0.56 -0.05 0.00 0.36 0.00 0.00 54.97 55.83 1fiq s GLU 860 Cb -0.09 -0.05 0.04 0.00 0.26 0.00 0.00 34.13 34.29 1fiq s GLU 860 CO 0.02 -0.14 0.23 0.08 -0.54 0.00 0.00 175.26 174.91 1fiq s VAL 861 N 1.10 -0.04 -0.40 3.70 1.01 -0.84 -0.79 120.40 124.14 1fiq s VAL 861 Ca -0.08 0.13 -0.06 0.00 0.00 0.00 0.00 61.98 61.97 1fiq s VAL 861 Cb -0.08 -0.36 0.09 0.00 0.00 0.00 0.00 36.38 36.03 1fiq s VAL 861 CO -0.08 0.05 0.21 -1.81 0.00 0.00 0.00 175.10 173.48 1fiq s ASP 862 N 1.10 5.41 0.29 3.32 1.01 -0.23 -0.60 116.67 126.97 1fiq s ASP 862 Ca -0.08 -1.69 -0.23 0.00 0.71 0.00 0.00 52.55 51.26 1fiq s ASP 862 Cb -0.09 -1.90 -0.09 0.00 1.01 0.00 0.00 42.92 41.85 1fiq s ASP 862 CO -0.07 -0.52 0.84 -1.00 0.21 0.00 0.00 175.17 174.64 1fiq s HIS 863 N 1.30 3.64 -0.11 4.23 3.76 0.18 -2.61 115.29 125.68 1fiq s HIS 863 Ca 0.04 1.58 -0.04 0.00 -0.15 0.00 0.00 55.06 56.50 1fiq s HIS 863 Cb -0.23 -2.77 0.05 0.00 1.11 0.00 0.00 32.58 30.74 1fiq s HIS 863 CO -0.01 0.24 0.16 0.71 -0.85 0.00 0.00 174.74 174.99 1fiq s TYR 864 N -1.63 -0.14 0.10 1.40 1.51 0.49 -1.85 117.35 117.23 1fiq s TYR 864 Ca 0.48 0.44 0.07 0.00 -1.01 0.00 0.00 57.07 57.05 1fiq s TYR 864 Cb -0.17 -0.33 -0.04 0.00 -0.11 0.00 0.00 41.96 41.31 1fiq s TYR 864 CO 0.22 -0.34 -0.09 -1.54 -1.11 0.00 0.00 175.55 172.69 1fiq s SER 865 N 2.28 4.45 -0.45 2.29 1.04 -0.97 0.87 113.70 123.22 1fiq s SER 865 Ca 0.04 -0.35 -0.22 0.00 0.48 0.00 0.00 55.95 55.90 1fiq s SER 865 Cb -0.13 -0.88 0.03 0.00 0.10 0.00 0.00 66.02 65.14 1fiq s SER 865 CO -0.07 0.19 0.71 0.21 0.98 0.00 0.00 173.24 175.26 1fiq s ASN 866 N -2.16 6.36 -0.00 7.02 3.84 -0.69 -0.70 114.94 128.61 1fiq s ASN 866 Ca 0.21 -0.26 -0.03 0.00 0.21 0.00 0.00 52.86 52.99 1fiq s ASN 866 Cb -0.11 -2.35 -0.28 0.00 -0.55 0.00 0.00 41.25 37.96 1fiq s ASN 866 CO 0.14 -0.85 0.84 0.00 -2.79 0.00 0.00 177.10 174.44 1fiq h ALA 867 N 8.94 0.28 0.00 1.71 0.00 -1.59 -3.39 119.26 125.21 1fiq h ALA 867 Ca -0.25 -1.12 0.00 0.00 0.00 0.00 0.00 54.91 53.54 1fiq h ALA 867 Cb 1.09 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1fiq h ALA 867 CO 0.93 1.15 0.00 0.41 0.00 0.00 0.00 179.25 181.73 1fiq n GLY 868 N 1.67 -0.71 1.66 0.00 0.00 -1.25 -0.32 105.19 106.25 1fiq n GLY 868 Ca -0.17 -2.09 -0.02 0.00 0.00 0.00 0.00 46.02 43.75 1fiq n GLY 868 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1fiq n ASN 869 N 0.00 4.26 -3.64 1.61 6.94 0.45 -2.03 115.26 122.85 1fiq n ASN 869 Ca 0.00 -2.85 -0.08 0.00 -0.02 0.00 0.00 54.58 51.63 1fiq n ASN 869 Cb 0.00 -0.68 -0.02 0.00 -2.36 0.00 0.00 39.78 36.73 1fiq n ASN 869 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1fiq s SER 870 N -0.62 -0.36 -0.09 0.53 1.04 -1.26 -4.94 113.70 108.00 1fiq s SER 870 Ca 0.41 -0.28 -0.20 0.00 0.48 0.00 0.00 55.95 56.37 1fiq s SER 870 Cb 0.33 0.59 -0.16 0.00 0.10 0.00 0.00 66.02 66.87 1fiq s SER 870 CO 0.11 -1.02 0.69 0.03 0.98 0.00 0.00 173.24 174.02 1fiq h ARG 871 N 2.00 -0.09 0.00 4.02 3.08 -1.90 -3.45 114.38 118.03 1fiq h ARG 871 Ca -0.25 0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.80 1fiq h ARG 871 Cb 1.26 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.33 1fiq h ARG 871 CO 0.30 0.45 0.00 -3.47 -1.07 0.00 0.00 179.97 176.18 1fiq n ASP 872 N -4.79 0.00 -1.15 7.04 -0.08 -1.26 -1.80 116.55 114.51 1fiq n ASP 872 Ca -0.07 0.00 0.12 0.00 -1.51 0.00 0.00 54.79 53.33 1fiq n ASP 872 Cb 0.28 0.00 0.21 0.00 2.34 0.00 0.00 41.12 43.96 1fiq n ASP 872 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1fiq n LEU 873 N 0.00 3.47 -0.28 -2.67 4.77 -1.26 -4.59 117.00 116.44 1fiq n LEU 873 Ca 0.00 -1.52 0.07 0.00 -0.03 0.00 0.00 56.01 54.53 1fiq n LEU 873 Cb 0.00 -0.25 0.18 0.00 -2.33 0.00 0.00 43.42 41.02 1fiq n LEU 873 CO 0.00 0.75 0.81 0.28 -1.33 0.00 0.00 177.39 177.90 1fiq h SER 874 N 4.42 -0.39 0.62 -1.43 0.02 -1.63 -0.78 113.55 114.38 1fiq h SER 874 Ca 0.00 0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 61.14 1fiq h SER 874 Cb 0.98 0.38 -0.02 0.00 0.14 0.00 0.00 62.40 63.89 1fiq h SER 874 CO 0.00 -0.22 -0.51 -0.74 -1.14 0.00 0.00 176.83 174.23 1fiq h HIS 875 N 0.09 -1.39 -0.06 3.45 -0.00 -1.81 -0.56 115.15 114.87 1fiq h HIS 875 Ca 0.45 0.00 0.02 0.00 -0.00 0.00 0.00 60.37 60.84 1fiq h HIS 875 Cb 0.83 0.52 -0.00 0.00 -0.00 0.00 0.00 27.41 28.76 1fiq h HIS 875 CO -0.45 -0.71 0.06 0.77 -0.00 0.00 0.00 177.93 177.61 1fiq h SER 876 N -1.10 0.00 -0.06 3.26 0.02 -1.75 -1.00 113.55 112.92 1fiq h SER 876 Ca -0.08 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.69 1fiq h SER 876 Cb 0.92 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.46 1fiq h SER 876 CO 0.00 0.00 -0.60 0.40 -1.14 0.00 0.00 176.83 175.49 1fiq h ILE 877 N 0.00 1.31 -0.06 3.27 2.04 -0.44 -1.93 117.51 121.69 1fiq h ILE 877 Ca 0.03 -1.85 -0.11 0.00 1.00 0.00 0.00 64.86 63.93 1fiq h ILE 877 Cb 0.16 1.80 -0.01 0.00 -0.74 0.00 0.00 36.82 38.03 1fiq h ILE 877 CO -0.00 0.58 -0.47 -0.03 0.00 0.00 0.00 178.15 178.23 1fiq h MET 878 N 0.49 0.15 -0.39 2.37 4.05 0.17 -1.81 114.93 119.97 1fiq h MET 878 Ca -0.00 -0.08 -0.14 0.00 -0.28 0.00 0.00 59.70 59.20 1fiq h MET 878 Cb 1.18 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.97 1fiq h MET 878 CO 0.12 0.59 -0.31 0.93 0.23 0.00 0.00 176.91 178.47 1fiq h GLU 879 N 0.13 0.85 -0.24 0.39 5.08 -1.10 -0.60 114.58 119.09 1fiq h GLU 879 Ca 0.01 -0.40 -0.13 0.00 -1.00 0.00 0.00 59.36 57.83 1fiq h GLU 879 Cb 0.88 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 1fiq h GLU 879 CO 0.07 1.04 -0.39 -0.09 -1.00 0.00 0.00 179.01 178.64 1fiq h ARG 880 N 0.72 0.56 0.53 2.33 2.43 -1.12 -0.99 114.38 118.83 1fiq h ARG 880 Ca 0.08 -0.28 -0.03 0.00 -0.81 0.00 0.00 59.98 58.95 1fiq h ARG 880 Cb 0.87 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.42 1fiq h ARG 880 CO 0.08 0.86 -0.26 0.00 -1.51 0.00 0.00 179.97 179.13 1fiq h ALA 881 N 1.12 -0.73 -0.93 2.80 0.00 -1.09 -2.16 119.26 118.27 1fiq h ALA 881 Ca 0.04 -0.16 0.10 0.00 0.00 0.00 0.00 54.91 54.90 1fiq h ALA 881 Cb 0.88 0.29 -0.07 0.00 0.00 0.00 0.00 17.79 18.89 1fiq h ALA 881 CO 0.08 -0.91 0.60 -0.07 0.00 0.00 0.00 179.25 178.94 1fiq h LEU 882 N -0.73 0.85 0.00 0.00 3.38 -0.96 0.37 115.31 118.22 1fiq h LEU 882 Ca -0.07 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1fiq h LEU 882 Cb 0.56 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1fiq h LEU 882 CO 0.11 0.49 0.00 0.49 0.09 0.00 0.00 178.44 179.62 1fiq n PHE 883 N -4.55 0.00 -0.23 1.13 0.99 -0.39 -3.20 117.46 111.21 1fiq n PHE 883 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.61 1fiq n PHE 883 Cb 0.32 -0.20 0.00 0.00 -1.00 0.00 0.00 39.48 38.60 1fiq n PHE 883 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.76 177.48 1fiq n HIS 884 N -1.20 0.00 0.36 1.38 8.25 0.12 -4.74 115.22 119.40 1fiq n HIS 884 Ca 0.10 -0.17 0.03 0.00 -0.26 0.00 0.00 57.72 57.43 1fiq n HIS 884 Cb 0.12 -0.02 0.18 0.00 1.12 0.00 0.00 29.99 31.39 1fiq n HIS 884 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1fiq n MET 885 N -0.17 0.15 -0.01 -0.41 0.00 -0.71 -1.81 117.12 114.17 1fiq n MET 885 Ca 0.00 0.11 0.08 0.00 0.00 0.00 0.00 57.70 57.89 1fiq n MET 885 Cb 0.17 -1.50 -0.13 0.00 0.00 0.00 0.00 33.22 31.76 1fiq n MET 885 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 1fiq n ASP 886 N -1.14 1.22 0.00 3.17 5.75 -1.26 -4.64 116.55 119.65 1fiq n ASP 886 Ca 0.04 -0.04 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1fiq n ASP 886 Cb 0.04 1.71 0.00 0.00 -1.03 0.00 0.00 41.12 41.84 1fiq n ASP 886 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1fiq n ASN 887 N -2.04 0.00 -0.95 -1.12 2.85 -0.75 -0.95 115.26 112.31 1fiq n ASN 887 Ca -0.03 0.00 0.03 0.00 -0.11 0.00 0.00 54.58 54.48 1fiq n ASN 887 Cb 0.42 0.00 0.23 0.00 1.24 0.00 0.00 39.78 41.67 1fiq n ASN 887 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1fiq s TYR 889 N -3.00 2.67 -0.24 0.00 4.12 -0.12 -1.00 117.35 119.77 1fiq s TYR 889 Ca 0.43 -0.77 -0.29 0.00 0.02 0.00 0.00 57.07 56.46 1fiq s TYR 889 Cb 0.36 -1.75 0.01 0.00 -1.52 0.00 0.00 41.96 39.06 1fiq s TYR 889 CO 0.05 -0.26 1.07 0.21 0.02 0.00 0.00 175.55 176.64 1fiq s LYS 890 N 0.22 4.21 -0.24 -0.62 2.47 0.88 -4.82 119.74 121.84 1fiq s LYS 890 Ca -0.12 1.32 0.02 0.00 -1.56 0.00 0.00 55.97 55.64 1fiq s LYS 890 Cb -0.16 -3.68 0.06 0.00 -1.46 0.00 0.00 37.83 32.59 1fiq s LYS 890 CO 0.06 -0.71 -0.11 0.42 0.16 0.00 0.00 175.35 175.18 1fiq s ILE 891 N 3.35 2.00 0.09 5.43 1.01 -1.26 -4.89 121.20 126.93 1fiq s ILE 891 Ca 0.46 -1.45 -0.27 0.00 0.00 0.00 0.00 60.65 59.38 1fiq s ILE 891 Cb -0.15 -2.11 -0.11 0.00 0.01 0.00 0.00 42.46 40.10 1fiq s ILE 891 CO 0.09 0.02 1.44 -0.65 0.00 0.00 0.00 174.94 175.84 1fiq h PRO 892 N 7.83 -0.47 -4.74 2.79 0.11 -1.83 -3.38 132.00 132.32 1fiq h PRO 892 Ca -0.22 0.03 -0.69 0.00 0.11 0.00 0.00 66.00 65.24 1fiq h PRO 892 Cb 1.06 0.11 -0.30 0.00 0.11 0.00 0.00 31.00 31.97 1fiq h PRO 892 CO 0.47 -0.31 -0.66 -0.80 -0.21 0.00 0.00 178.00 176.49 1fiq s ASN 893 N -4.36 5.07 0.03 -2.05 0.01 -1.25 -4.31 114.94 108.09 1fiq s ASN 893 Ca -0.12 -1.15 0.02 0.00 -0.71 0.00 0.00 52.86 50.90 1fiq s ASN 893 Cb 0.06 -1.79 -0.02 0.00 0.41 0.00 0.00 41.25 39.90 1fiq s ASN 893 CO 0.49 -0.28 -0.08 -0.51 -1.51 0.00 0.00 177.10 175.21 1fiq s ILE 894 N 1.34 0.55 -0.17 0.60 2.07 -0.78 -2.15 121.20 122.65 1fiq s ILE 894 Ca -0.03 -0.93 -0.07 0.00 -1.41 0.00 0.00 60.65 58.21 1fiq s ILE 894 Cb -0.19 -0.58 0.07 0.00 0.13 0.00 0.00 42.46 41.88 1fiq s ILE 894 CO 0.01 -0.28 0.38 -0.60 -1.91 0.00 0.00 174.94 172.54 1fiq s ARG 895 N -1.31 0.31 -0.01 3.50 3.52 -0.89 -1.20 118.95 122.88 1fiq s ARG 895 Ca -0.07 0.86 -0.01 0.00 -0.13 0.00 0.00 55.73 56.38 1fiq s ARG 895 Cb -0.09 0.10 0.01 0.00 -1.56 0.00 0.00 34.95 33.42 1fiq s ARG 895 CO 0.00 -0.21 0.02 0.20 -0.81 0.00 0.00 175.30 174.50 1fiq s GLY 896 N 2.00 0.00 0.40 8.12 0.00 -0.79 -1.99 107.32 115.07 1fiq s GLY 896 Ca -0.05 0.10 0.06 0.00 0.00 0.00 0.00 44.72 44.84 1fiq s GLY 896 CO -0.12 0.16 0.02 -0.51 0.00 0.00 0.00 173.10 172.65 1fiq s THR 897 N 0.20 1.86 -0.06 0.90 -4.23 0.24 -1.87 115.64 112.67 1fiq s THR 897 Ca -0.02 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.39 1fiq s THR 897 Cb -0.02 -2.96 0.02 0.00 1.34 0.00 0.00 72.50 70.88 1fiq s THR 897 CO -0.01 0.00 0.26 -0.83 -0.54 0.00 0.00 174.62 173.50 1fiq s GLY 898 N -3.68 -0.15 -0.07 3.99 0.00 -0.18 -0.65 107.32 106.59 1fiq s GLY 898 Ca 0.35 0.50 -0.03 0.00 0.00 0.00 0.00 44.72 45.55 1fiq s GLY 898 CO 0.17 0.37 0.13 -1.60 0.00 0.00 0.00 173.10 172.17 1fiq s ARG 899 N -0.46 0.03 -0.18 2.90 6.06 -0.77 -1.13 118.95 125.40 1fiq s ARG 899 Ca -0.06 0.45 -0.24 0.00 -2.50 0.00 0.00 55.73 53.38 1fiq s ARG 899 Cb -0.04 -0.28 -0.02 0.00 0.06 0.00 0.00 34.95 34.68 1fiq s ARG 899 CO 0.01 -0.26 0.78 -0.51 -2.50 0.00 0.00 175.30 172.82 1fiq s LEU 900 N 1.83 4.16 -0.18 -0.88 1.43 -1.26 -2.28 118.68 121.49 1fiq s LEU 900 Ca -0.01 1.07 -0.17 0.00 -1.03 0.00 0.00 54.13 53.99 1fiq s LEU 900 Cb -0.12 -3.14 -0.04 0.00 0.03 0.00 0.00 46.19 42.92 1fiq s LEU 900 CO -0.05 -0.37 0.43 0.00 0.23 0.00 0.00 176.35 176.59 1fiq s LYS 902 N 1.20 4.13 0.09 0.00 2.20 0.48 -1.41 119.74 126.42 1fiq s LYS 902 Ca 0.21 0.90 -0.01 0.00 -0.36 0.00 0.00 55.97 56.71 1fiq s LYS 902 Cb -0.15 -3.67 -0.04 0.00 -1.51 0.00 0.00 37.83 32.46 1fiq s LYS 902 CO 0.08 -0.59 0.01 0.95 -0.36 0.00 0.00 175.35 175.44 1fiq s THR 903 N 2.96 0.17 -0.21 3.43 -4.23 -0.86 -4.75 115.64 112.15 1fiq s THR 903 Ca 0.36 -1.86 -0.06 0.00 -1.18 0.00 0.00 61.69 58.95 1fiq s THR 903 Cb -0.15 -1.79 -0.16 0.00 1.34 0.00 0.00 72.50 71.74 1fiq s THR 903 CO 0.09 -0.72 3.34 0.59 -0.54 0.00 0.00 174.62 177.37 1fiq n ASN 904 N 0.00 5.77 -4.39 3.99 3.02 0.26 -2.59 115.26 121.32 1fiq n ASN 904 Ca -0.10 -2.71 -0.20 0.00 -0.03 0.00 0.00 54.58 51.54 1fiq n ASN 904 Cb 0.62 -1.37 -0.10 0.00 -0.61 0.00 0.00 39.78 38.32 1fiq n ASN 904 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1fiq s LEU 905 N -0.67 2.57 0.59 3.41 1.43 -1.25 -4.31 118.68 120.44 1fiq s LEU 905 Ca 0.65 -1.02 -0.18 0.00 -1.03 0.00 0.00 54.13 52.54 1fiq s LEU 905 Cb 0.33 -0.83 -0.06 0.00 0.03 0.00 0.00 46.19 45.66 1fiq s LEU 905 CO -0.07 -0.09 0.87 -1.20 0.23 0.00 0.00 176.35 176.08 1fiq n SER 906 N -0.47 0.37 -4.68 2.29 7.64 -1.26 -0.41 113.62 117.10 1fiq n SER 906 Ca -0.07 0.80 -0.42 0.00 1.01 0.00 0.00 58.87 60.19 1fiq n SER 906 Cb 0.60 -1.34 -0.03 0.00 -1.01 0.00 0.00 64.21 62.44 1fiq n SER 906 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1fiq s SER 907 N -1.22 6.84 0.53 6.43 0.15 -1.26 -4.21 113.70 120.97 1fiq s SER 907 Ca 0.74 2.09 -0.14 0.00 0.70 0.00 0.00 55.95 59.34 1fiq s SER 907 Cb -0.43 -2.56 -0.06 0.00 -1.71 0.00 0.00 66.02 61.26 1fiq s SER 907 CO 0.49 -0.74 0.96 0.20 1.20 0.00 0.00 173.24 175.35 1fiq s ASN 908 N 2.00 6.48 0.00 5.45 0.01 0.56 -4.05 114.94 125.38 1fiq s ASN 908 Ca 0.64 1.44 0.00 0.00 -0.71 0.00 0.00 52.86 54.23 1fiq s ASN 908 Cb -0.31 -2.46 0.00 0.00 0.41 0.00 0.00 41.25 38.89 1fiq s ASN 908 CO 0.26 -0.65 0.00 1.07 -1.51 0.00 0.00 177.10 176.27 1fiq n THR 909 N -1.92 0.00 -2.67 1.60 5.66 -0.07 -4.64 114.28 112.24 1fiq n THR 909 Ca 0.06 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.71 1fiq n THR 909 Cb 0.54 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.27 1fiq n THR 909 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1fiq s ALA 910 N -2.00 2.99 -0.29 1.79 0.00 -1.26 -4.49 121.76 118.51 1fiq s ALA 910 Ca 0.00 0.54 -0.09 0.00 0.00 0.00 0.00 51.96 52.41 1fiq s ALA 910 Cb 0.00 -3.21 0.13 0.00 0.00 0.00 0.00 23.12 20.04 1fiq s ALA 910 CO 0.00 -0.09 0.62 0.12 0.00 0.00 0.00 175.76 176.40 1fiq s PHE 911 N -1.98 -1.31 0.00 0.00 5.99 -1.26 -3.33 117.98 116.10 1fiq s PHE 911 Ca 0.63 2.19 0.00 0.00 0.00 0.00 0.00 56.93 59.74 1fiq s PHE 911 Cb -0.15 0.73 0.00 0.00 0.00 0.00 0.00 43.02 43.60 1fiq s PHE 911 CO 0.19 -0.67 0.00 -2.13 -0.00 0.00 0.00 175.22 172.61 1fiq n ARG 912 N 5.44 0.00 0.00 10.12 0.63 0.78 -1.40 116.66 132.22 1fiq n ARG 912 Ca -0.11 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.82 1fiq n ARG 912 Cb 0.49 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.40 1fiq n ARG 912 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1fiq n GLY 913 N 0.00 2.88 3.87 5.14 0.00 -1.26 -4.92 105.19 110.90 1fiq n GLY 913 Ca 0.00 -0.49 -0.35 0.00 0.00 0.00 0.00 46.02 45.18 1fiq n GLY 913 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1fiq n PHE 914 N 0.00 -1.77 0.00 1.61 7.35 -0.50 -1.09 117.46 123.06 1fiq n PHE 914 Ca 0.00 0.43 0.00 0.00 -0.76 0.00 0.00 57.45 57.12 1fiq n PHE 914 Cb 0.00 -2.95 0.00 0.00 0.35 0.00 0.00 39.48 36.88 1fiq n PHE 914 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1fiq n GLY 915 N -1.87 2.57 0.09 7.13 0.00 -1.26 -4.45 105.19 107.40 1fiq n GLY 915 Ca -0.17 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 1fiq n GLY 915 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1fiq h GLY 916 N 0.00 0.11 0.21 -0.02 0.00 -1.33 -2.62 103.07 99.43 1fiq h GLY 916 Ca 0.00 0.06 0.09 0.00 0.00 0.00 0.00 47.33 47.48 1fiq h GLY 916 CO 0.00 -0.06 -0.02 -2.55 0.00 0.00 0.00 176.54 173.90 1fiq h PRO 917 N -0.00 0.09 -0.50 4.80 0.11 -1.89 0.12 132.00 134.73 1fiq h PRO 917 Ca 0.08 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.20 1fiq h PRO 917 Cb 0.12 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.18 1fiq h PRO 917 CO -0.17 0.06 0.30 1.96 -0.21 0.00 0.00 178.00 179.94 1fiq h GLN 918 N 0.09 0.59 -0.12 1.05 7.50 -1.90 -1.26 115.11 121.06 1fiq h GLN 918 Ca 0.23 -0.04 -0.02 0.00 0.50 0.00 0.00 58.65 59.32 1fiq h GLN 918 Cb 0.34 -0.13 -0.00 0.00 0.05 0.00 0.00 27.48 27.73 1fiq h GLN 918 CO -0.40 0.39 -0.00 0.00 -1.50 0.00 0.00 178.83 177.32 1fiq h ALA 919 N 1.21 0.16 -0.04 3.87 0.00 -1.04 -2.40 119.26 121.03 1fiq h ALA 919 Ca 0.19 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1fiq h ALA 919 Cb -0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1fiq h ALA 919 CO -0.08 -0.14 0.03 -0.07 0.00 0.00 0.00 179.25 178.99 1fiq h LEU 920 N -0.06 0.00 0.05 0.00 3.38 -0.64 -0.93 115.31 117.11 1fiq h LEU 920 Ca 0.03 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1fiq h LEU 920 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1fiq h LEU 920 CO 0.01 0.00 -0.03 0.15 0.09 0.00 0.00 178.44 178.66 1fiq h PHE 921 N 0.00 -0.07 -0.51 1.13 3.57 -1.03 -1.61 116.94 118.43 1fiq h PHE 921 Ca 0.02 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.57 1fiq h PHE 921 Cb 0.07 0.02 -0.05 0.00 2.79 0.00 0.00 35.95 38.79 1fiq h PHE 921 CO 0.00 0.45 0.24 0.82 -2.23 0.00 0.00 178.31 177.59 1fiq h ILE 922 N -0.63 0.92 -0.50 1.41 2.04 -0.97 0.73 117.51 120.50 1fiq h ILE 922 Ca -0.01 -0.16 0.05 0.00 1.00 0.00 0.00 64.86 65.74 1fiq h ILE 922 Cb 0.55 0.41 -0.04 0.00 -0.74 0.00 0.00 36.82 37.00 1fiq h ILE 922 CO 0.01 0.09 0.25 0.00 0.00 0.00 0.00 178.15 178.50 1fiq h ALA 923 N 1.29 0.64 0.00 1.87 0.00 -1.19 -0.86 119.26 121.01 1fiq h ALA 923 Ca 0.23 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 1fiq h ALA 923 Cb 0.17 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1fiq h ALA 923 CO -0.18 -0.10 -0.20 0.93 0.00 0.00 0.00 179.25 179.70 1fiq h GLU 924 N 0.49 0.00 0.09 0.00 4.39 -0.45 -2.08 114.58 117.02 1fiq h GLU 924 Ca 0.22 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.92 1fiq h GLU 924 Cb 0.14 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 1fiq h GLU 924 CO -0.16 0.20 -0.04 -0.97 -1.16 0.00 0.00 179.01 176.88 1fiq h ASN 925 N 0.00 -0.10 0.51 1.42 -1.24 0.54 -0.86 115.58 115.84 1fiq h ASN 925 Ca -0.00 -0.39 -0.05 0.00 0.71 0.00 0.00 56.30 56.57 1fiq h ASN 925 Cb 0.55 0.03 -0.01 0.00 0.73 0.00 0.00 38.32 39.62 1fiq h ASN 925 CO 0.03 0.36 -0.23 4.11 -1.29 0.00 0.00 177.43 180.41 1fiq h TRP 926 N -0.59 0.00 -0.19 0.67 5.08 -1.36 -2.30 115.95 117.26 1fiq h TRP 926 Ca -0.01 0.00 -0.06 0.00 1.08 0.00 0.00 58.89 59.89 1fiq h TRP 926 Cb 0.48 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.64 1fiq h TRP 926 CO 0.07 0.23 -0.13 1.98 -1.28 0.00 0.00 178.44 179.31 1fiq h MET 927 N 0.00 0.42 -0.28 0.12 4.05 -1.29 -0.88 114.93 117.08 1fiq h MET 927 Ca -0.00 -0.20 -0.01 0.00 -0.28 0.00 0.00 59.70 59.21 1fiq h MET 927 Cb 0.54 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.32 1fiq h MET 927 CO 0.03 0.75 0.15 0.66 0.23 0.00 0.00 176.91 178.73 1fiq h SER 928 N 0.10 0.33 0.96 1.39 4.64 -0.84 -0.37 113.55 119.76 1fiq h SER 928 Ca 0.04 -0.02 -0.12 0.00 -0.47 0.00 0.00 61.79 61.22 1fiq h SER 928 Cb 0.64 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.63 1fiq h SER 928 CO 0.04 0.27 -0.57 -0.33 -0.87 0.00 0.00 176.83 175.37 1fiq h GLU 929 N 0.38 0.00 0.40 4.77 5.08 -1.17 -2.90 114.58 121.16 1fiq h GLU 929 Ca 0.10 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 1fiq h GLU 929 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1fiq h GLU 929 CO -0.02 0.57 -0.19 0.28 -1.00 0.00 0.00 179.01 178.65 1fiq h VAL 930 N 0.00 0.52 -0.09 3.13 2.07 0.37 -1.03 116.25 121.23 1fiq h VAL 930 Ca -0.01 -0.51 0.03 0.00 0.82 0.00 0.00 66.70 67.03 1fiq h VAL 930 Cb 1.20 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 31.70 1fiq h VAL 930 CO 0.07 0.08 0.12 0.00 0.02 0.00 0.00 177.57 177.86 1fiq h ALA 931 N -0.45 1.58 0.03 1.67 0.00 -1.49 -2.41 119.26 118.19 1fiq h ALA 931 Ca -0.06 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1fiq h ALA 931 Cb 0.55 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1fiq h ALA 931 CO 0.09 -0.16 -0.02 0.28 0.00 0.00 0.00 179.25 179.44 1fiq h VAL 932 N 0.00 0.00 0.00 0.00 2.07 -1.31 -1.18 116.25 115.83 1fiq h VAL 932 Ca 0.04 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 66.91 1fiq h VAL 932 Cb 0.28 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.05 1fiq h VAL 932 CO -0.00 0.00 0.27 0.41 0.02 0.00 0.00 177.57 178.27 1fiq n THR 933 N -3.93 0.77 0.65 2.57 -1.04 -0.41 0.16 114.28 113.05 1fiq n THR 933 Ca -0.01 0.69 0.10 0.00 -2.04 0.00 0.00 64.05 62.80 1fiq n THR 933 Cb 0.02 -1.69 0.12 0.00 -1.82 0.00 0.00 70.33 66.96 1fiq n THR 933 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1fiq n GLY 935 N 1.20 -0.50 3.58 0.00 0.00 0.43 -4.96 105.19 104.94 1fiq n GLY 935 Ca 0.14 0.08 -0.24 0.00 0.00 0.00 0.00 46.02 46.00 1fiq n GLY 935 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fiq s LEU 936 N -6.33 2.97 0.50 0.99 1.43 -0.45 -5.05 118.68 112.75 1fiq s LEU 936 Ca 0.28 -0.77 -0.23 0.00 -1.03 0.00 0.00 54.13 52.38 1fiq s LEU 936 Cb -0.14 -1.50 -0.06 0.00 0.03 0.00 0.00 46.19 44.51 1fiq s LEU 936 CO 0.35 0.02 1.41 -2.84 0.23 0.00 0.00 176.35 175.52 1fiq s PRO 937 N -3.56 3.37 0.05 1.29 0.02 -1.26 -4.49 135.00 130.42 1fiq s PRO 937 Ca 0.30 2.36 -0.23 0.00 0.02 0.00 0.00 61.00 63.45 1fiq s PRO 937 Cb -0.06 -2.44 -0.15 0.00 0.02 0.00 0.00 34.50 31.86 1fiq s PRO 937 CO 0.18 -1.04 1.52 0.00 -0.33 0.00 0.00 177.00 177.33 1fiq h ALA 938 N 1.85 0.08 0.00 -1.55 0.00 -1.97 -2.79 119.26 114.87 1fiq h ALA 938 Ca -0.51 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.25 1fiq h ALA 938 Cb 1.29 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1fiq h ALA 938 CO 0.59 -0.29 -0.09 0.93 0.00 0.00 0.00 179.25 180.39 1fiq h GLU 939 N -0.13 0.00 0.08 0.00 3.07 -1.92 -2.36 114.58 113.32 1fiq h GLU 939 Ca 0.02 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.87 1fiq h GLU 939 Cb 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.17 1fiq h GLU 939 CO 0.00 0.09 -0.04 1.49 -1.40 0.00 0.00 179.01 179.15 1fiq h GLU 940 N 0.00 -0.10 0.56 2.33 4.81 -1.88 -2.72 114.58 117.58 1fiq h GLU 940 Ca -0.00 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 1fiq h GLU 940 Cb 0.21 0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.62 1fiq h GLU 940 CO 0.01 0.18 -0.27 0.28 -0.73 0.00 0.00 179.01 178.48 1fiq h VAL 941 N -0.38 0.37 -0.90 0.32 2.07 -1.23 -2.17 116.25 114.34 1fiq h VAL 941 Ca -0.01 -0.27 0.19 0.00 0.82 0.00 0.00 66.70 67.43 1fiq h VAL 941 Cb 0.33 0.47 -0.11 0.00 -1.52 0.00 0.00 31.29 30.45 1fiq h VAL 941 CO 0.02 0.04 0.44 0.03 0.02 0.00 0.00 177.57 178.12 1fiq h ARG 942 N -0.94 0.51 0.00 1.57 3.08 -1.54 0.26 114.38 117.31 1fiq h ARG 942 Ca -0.08 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 59.86 1fiq h ARG 942 Cb 0.64 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 1fiq h ARG 942 CO 0.13 0.34 -0.38 2.35 -1.07 0.00 0.00 179.97 181.33 1fiq h TRP 943 N 0.52 0.00 -0.20 3.04 2.91 -1.42 -1.67 115.95 119.13 1fiq h TRP 943 Ca 0.53 0.00 -0.10 0.00 1.13 0.00 0.00 58.89 60.45 1fiq h TRP 943 Cb 0.91 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.56 1fiq h TRP 943 CO -0.10 0.38 -0.28 0.87 -1.03 0.00 0.00 178.44 178.29 1fiq h LYS 944 N 0.00 0.54 -0.00 2.65 1.57 0.14 -3.16 116.57 118.31 1fiq h LYS 944 Ca -0.00 -0.32 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 1fiq h LYS 944 Cb 0.74 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.08 1fiq h LYS 944 CO 0.05 0.91 -0.01 0.09 -0.57 0.00 0.00 179.45 179.92 1fiq n ASN 945 N -4.36 0.37 -4.77 0.86 3.02 -0.57 -4.92 115.26 104.89 1fiq n ASN 945 Ca -0.05 -1.01 -0.37 0.00 -0.03 0.00 0.00 54.58 53.11 1fiq n ASN 945 Cb 0.46 -0.02 -0.01 0.00 -0.61 0.00 0.00 39.78 39.59 1fiq n ASN 945 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1fiq s MET 946 N -2.08 3.80 0.90 3.52 1.75 -0.64 -0.09 119.30 126.47 1fiq s MET 946 Ca 0.43 1.75 -0.10 0.00 -1.25 0.00 0.00 55.69 56.52 1fiq s MET 946 Cb 0.21 -2.43 0.14 0.00 2.84 0.00 0.00 34.83 35.60 1fiq s MET 946 CO 0.38 -0.51 1.14 0.71 -0.65 0.00 0.00 175.02 176.09 1fiq s TYR 947 N -1.55 1.68 0.30 4.11 1.51 -0.17 -4.52 117.35 118.71 1fiq s TYR 947 Ca 0.63 1.78 0.11 0.00 -1.01 0.00 0.00 57.07 58.58 1fiq s TYR 947 Cb -0.28 -3.33 -0.05 0.00 -0.11 0.00 0.00 41.96 38.19 1fiq s TYR 947 CO 0.34 -2.75 -0.13 0.15 -1.11 0.00 0.00 175.55 172.06 1fiq s LYS 948 N -4.67 1.83 0.36 -0.62 -0.14 -1.26 -4.99 119.74 110.25 1fiq s LYS 948 Ca 0.66 -1.78 -0.28 0.00 -1.36 0.00 0.00 55.97 53.22 1fiq s LYS 948 Cb -0.22 -1.81 -0.12 0.00 -1.68 0.00 0.00 37.83 34.00 1fiq s LYS 948 CO 0.58 0.25 1.34 -1.91 -0.76 0.00 0.00 175.35 174.85 1fiq n GLU 949 N -0.74 2.24 -0.76 1.68 4.07 -1.26 -1.95 120.64 123.92 1fiq n GLU 949 Ca -0.05 0.79 0.00 0.00 -0.06 0.00 0.00 57.16 57.84 1fiq n GLU 949 Cb 0.61 -2.42 0.00 0.00 -0.06 0.00 0.00 31.44 29.57 1fiq n GLU 949 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1fiq n GLY 950 N 0.69 1.32 3.64 8.31 0.00 -0.82 -5.02 105.19 113.30 1fiq n GLY 950 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 1fiq n GLY 950 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1fiq s ASP 951 N -3.12 1.44 0.08 1.61 1.11 -0.82 -4.54 116.67 112.42 1fiq s ASP 951 Ca 0.00 0.68 0.08 0.00 0.18 0.00 0.00 52.55 53.49 1fiq s ASP 951 Cb 0.00 -0.98 -0.03 0.00 1.07 0.00 0.00 42.92 42.98 1fiq s ASP 951 CO 0.00 -3.81 -0.21 -0.76 1.18 0.00 0.00 175.17 171.57 1fiq s LEU 952 N -6.75 2.24 0.00 1.23 1.43 -1.26 -0.74 118.68 114.83 1fiq s LEU 952 Ca 0.70 -0.61 -0.15 0.00 -1.03 0.00 0.00 54.13 53.04 1fiq s LEU 952 Cb -0.11 -0.93 0.20 0.00 0.03 0.00 0.00 46.19 45.39 1fiq s LEU 952 CO 0.56 0.11 1.20 0.35 0.23 0.00 0.00 176.35 178.80 1fiq n THR 953 N 1.42 0.00 0.44 5.49 -2.24 -0.86 -4.82 114.28 113.72 1fiq n THR 953 Ca -0.18 -0.90 0.05 0.00 -2.27 0.00 0.00 64.05 60.75 1fiq n THR 953 Cb 0.53 -1.54 0.25 0.00 -2.10 0.00 0.00 70.33 67.47 1fiq n THR 953 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1fiq n HIS 954 N -3.65 0.00 -0.34 4.78 1.44 -1.26 -0.76 115.22 115.43 1fiq n HIS 954 Ca 0.15 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.91 1fiq n HIS 954 Cb 0.53 -0.39 0.11 0.00 0.12 0.00 0.00 29.99 30.36 1fiq n HIS 954 CO 0.00 0.00 0.00 1.97 -2.81 0.00 0.00 176.34 175.50 1fiq n PHE 955 N -1.39 0.32 -1.18 -1.40 1.16 -1.26 -4.45 117.46 109.26 1fiq n PHE 955 Ca 0.04 -0.61 -0.06 0.00 -1.87 0.00 0.00 57.45 54.95 1fiq n PHE 955 Cb 0.10 -0.09 -0.03 0.00 -1.61 0.00 0.00 39.48 37.86 1fiq n PHE 955 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 1fiq n ASN 956 N -0.21 -4.00 -4.77 5.98 3.02 0.06 -4.36 115.26 110.99 1fiq n ASN 956 Ca 0.10 0.15 -0.39 0.00 -0.03 0.00 0.00 54.58 54.41 1fiq n ASN 956 Cb 0.46 -2.03 -0.06 0.00 -0.61 0.00 0.00 39.78 37.54 1fiq n ASN 956 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1fiq s GLN 957 N -2.22 4.25 0.15 3.52 0.74 -1.26 -4.67 119.66 120.17 1fiq s GLN 957 Ca 0.00 0.64 -0.31 0.00 0.05 0.00 0.00 55.36 55.74 1fiq s GLN 957 Cb 0.00 -3.33 -0.09 0.00 1.10 0.00 0.00 33.01 30.69 1fiq s GLN 957 CO 0.00 0.41 1.51 0.50 -0.55 0.00 0.00 175.29 177.16 1fiq s ARG 958 N -0.28 4.25 -0.71 1.67 6.06 -1.26 -2.02 118.95 126.66 1fiq s ARG 958 Ca 0.29 2.27 -0.17 0.00 -2.50 0.00 0.00 55.73 55.61 1fiq s ARG 958 Cb -0.18 -3.19 0.14 0.00 0.06 0.00 0.00 34.95 31.79 1fiq s ARG 958 CO 0.16 -0.55 0.78 -0.51 -2.50 0.00 0.00 175.30 172.68 1fiq s LEU 959 N 1.14 5.72 -0.15 -0.88 1.43 0.08 -4.99 118.68 121.03 1fiq s LEU 959 Ca 0.68 -1.88 -0.07 0.00 -1.03 0.00 0.00 54.13 51.83 1fiq s LEU 959 Cb -0.42 -2.29 -0.04 0.00 0.03 0.00 0.00 46.19 43.47 1fiq s LEU 959 CO 0.31 -0.96 0.11 -1.61 0.23 0.00 0.00 176.35 174.43 1fiq s GLU 960 N 2.00 3.68 -0.19 1.70 2.02 -1.26 -1.95 118.70 124.70 1fiq s GLU 960 Ca 0.16 -0.22 0.00 0.00 0.02 0.00 0.00 54.97 54.93 1fiq s GLU 960 Cb -0.18 -3.21 0.00 0.00 0.10 0.00 0.00 34.13 30.84 1fiq s GLU 960 CO -0.01 0.56 0.00 0.41 0.02 0.00 0.00 175.26 176.24 1fiq n GLY 961 N 2.67 0.42 3.60 -1.39 0.00 -1.26 -4.91 105.19 104.32 1fiq n GLY 961 Ca -0.18 -0.92 -0.49 0.00 0.00 0.00 0.00 46.02 44.43 1fiq n GLY 961 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1fiq n PHE 962 N -3.41 2.02 0.47 1.61 7.35 -1.26 -4.84 117.46 119.40 1fiq n PHE 962 Ca -0.02 0.11 0.05 0.00 -0.76 0.00 0.00 57.45 56.83 1fiq n PHE 962 Cb 0.26 -2.61 -0.01 0.00 0.35 0.00 0.00 39.48 37.47 1fiq n PHE 962 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 1fiq n SER 963 N 8.31 1.19 -0.30 -2.13 3.41 -1.26 -4.67 113.62 118.16 1fiq n SER 963 Ca 0.30 -1.09 0.14 0.00 -0.26 0.00 0.00 58.87 57.95 1fiq n SER 963 Cb 0.28 0.51 0.29 0.00 -0.26 0.00 0.00 64.21 65.03 1fiq n SER 963 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1fiq h VAL 964 N 1.08 0.23 -1.01 -3.33 2.07 -1.93 0.15 116.25 113.51 1fiq h VAL 964 Ca 0.00 -0.05 0.04 0.00 0.82 0.00 0.00 66.70 67.52 1fiq h VAL 964 Cb 0.35 0.08 -0.06 0.00 -1.52 0.00 0.00 31.29 30.14 1fiq h VAL 964 CO 0.00 0.02 0.66 -0.65 0.02 0.00 0.00 177.57 177.62 1fiq h PRO 965 N 0.14 1.22 -0.46 1.57 0.11 -1.95 0.29 132.00 132.91 1fiq h PRO 965 Ca 0.56 -0.07 -0.06 0.00 0.11 0.00 0.00 66.00 66.55 1fiq h PRO 965 Cb 1.16 -0.27 -0.02 0.00 0.11 0.00 0.00 31.00 31.98 1fiq h PRO 965 CO -0.73 0.80 0.07 0.00 -0.21 0.00 0.00 178.00 177.94 1fiq h ARG 966 N 1.25 0.77 -0.24 1.05 3.08 -1.06 -0.94 114.38 118.29 1fiq h ARG 966 Ca 0.41 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 60.24 1fiq h ARG 966 Cb 0.04 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 1fiq h ARG 966 CO -0.14 0.78 0.11 0.00 -1.07 0.00 0.00 179.97 179.66 1fiq h TRP 968 N 0.25 -0.15 -0.39 0.00 2.91 -0.33 0.24 115.95 118.49 1fiq h TRP 968 Ca 0.08 -0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.09 1fiq h TRP 968 Cb 0.14 0.05 -0.02 0.00 -0.51 0.00 0.00 29.16 28.82 1fiq h TRP 968 CO -0.02 -0.07 0.19 -0.44 -1.03 0.00 0.00 178.44 177.08 1fiq h ASP 969 N -0.18 0.51 -0.40 2.65 3.32 -1.17 -2.05 116.42 119.11 1fiq h ASP 969 Ca -0.02 -0.12 -0.06 0.00 0.02 0.00 0.00 57.03 56.85 1fiq h ASP 969 Cb 0.14 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1fiq h ASP 969 CO 0.03 0.49 0.00 -0.08 -1.72 0.00 0.00 179.24 177.96 1fiq h GLU 970 N 0.50 0.70 -0.68 3.56 4.81 -1.20 -1.94 114.58 120.32 1fiq h GLU 970 Ca 0.14 -0.22 0.02 0.00 -0.13 0.00 0.00 59.36 59.16 1fiq h GLU 970 Cb 0.11 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.38 1fiq h GLU 970 CO -0.02 0.79 0.44 0.00 -0.73 0.00 0.00 179.01 179.49 1fiq h LEU 972 N 0.88 1.04 0.30 0.00 3.38 -1.25 -0.98 115.31 118.67 1fiq h LEU 972 Ca 0.27 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1fiq h LEU 972 Cb -0.03 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.45 1fiq h LEU 972 CO -0.08 0.87 -0.14 0.50 0.09 0.00 0.00 178.44 179.68 1fiq h LYS 973 N 1.12 -0.39 -0.17 1.13 3.64 -0.50 -1.71 116.57 119.70 1fiq h LYS 973 Ca 0.27 0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.73 1fiq h LYS 973 Cb 0.11 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 1fiq h LYS 973 CO -0.04 -0.26 0.19 0.66 -2.27 0.00 0.00 179.45 177.74 1fiq h SER 974 N -0.51 0.00 0.43 4.20 4.64 -0.89 0.24 113.55 121.66 1fiq h SER 974 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1fiq h SER 974 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1fiq h SER 974 CO 0.07 0.00 -0.39 -1.54 -0.87 0.00 0.00 176.83 174.10 1fiq n SER 975 N -3.78 0.64 -3.75 4.97 3.41 -0.37 -4.93 113.62 109.81 1fiq n SER 975 Ca 0.01 -0.43 -0.28 0.00 -0.26 0.00 0.00 58.87 57.91 1fiq n SER 975 Cb 0.31 0.17 0.04 0.00 -0.26 0.00 0.00 64.21 64.47 1fiq n SER 975 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1fiq n GLN 976 N -1.22 -6.06 -0.20 4.33 6.02 0.07 -4.84 117.38 115.49 1fiq n GLN 976 Ca 0.08 0.67 -0.03 0.00 -0.01 0.00 0.00 57.00 57.71 1fiq n GLN 976 Cb 0.34 -5.60 0.03 0.00 1.02 0.00 0.00 30.24 26.03 1fiq n GLN 976 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 1fiq h TYR 977 N -2.16 -0.65 -0.64 1.08 3.20 -1.58 -0.56 116.97 115.66 1fiq h TYR 977 Ca -0.57 0.06 -0.05 0.00 3.14 0.00 0.00 58.73 61.32 1fiq h TYR 977 Cb 1.37 0.37 -0.03 0.00 1.54 0.00 0.00 36.73 39.99 1fiq h TYR 977 CO 0.55 -0.34 0.21 1.88 -1.64 0.00 0.00 178.16 178.82 1fiq h TYR 978 N -0.10 1.02 -0.31 -3.82 -1.99 -1.90 0.27 116.97 110.15 1fiq h TYR 978 Ca 0.26 -0.10 -0.13 0.00 2.00 0.00 0.00 58.73 60.76 1fiq h TYR 978 Cb 0.52 -0.30 -0.01 0.00 2.00 0.00 0.00 36.73 38.94 1fiq h TYR 978 CO -0.57 0.83 -0.35 0.00 -0.00 0.00 0.00 178.16 178.07 1fiq h ALA 979 N 1.08 0.79 0.00 3.88 0.00 -1.87 -2.86 119.26 120.29 1fiq h ALA 979 Ca 0.21 -0.42 -0.13 0.00 0.00 0.00 0.00 54.91 54.57 1fiq h ALA 979 Cb 0.28 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1fiq h ALA 979 CO -0.01 0.65 -0.60 0.00 0.00 0.00 0.00 179.25 179.29 1fiq h ARG 980 N 0.59 0.00 -0.35 0.00 3.08 -0.84 -2.39 114.38 114.47 1fiq h ARG 980 Ca 0.06 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.06 1fiq h ARG 980 Cb 0.88 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.91 1fiq h ARG 980 CO 0.08 0.60 0.01 -0.22 -1.07 0.00 0.00 179.97 179.37 1fiq h LYS 981 N 0.00 0.55 0.05 0.04 3.64 -0.24 0.68 116.57 121.29 1fiq h LYS 981 Ca -0.01 -0.12 -0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1fiq h LYS 981 Cb 1.09 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 1fiq h LYS 981 CO 0.08 0.57 -0.02 0.77 -2.27 0.00 0.00 179.45 178.57 1fiq h SER 982 N 0.53 -0.06 -0.90 4.20 0.02 -1.31 -2.57 113.55 113.46 1fiq h SER 982 Ca 0.11 -0.41 0.14 0.00 -0.84 0.00 0.00 61.79 60.79 1fiq h SER 982 Cb 0.33 0.01 -0.09 0.00 0.14 0.00 0.00 62.40 62.79 1fiq h SER 982 CO 0.01 0.39 0.51 -0.33 -1.14 0.00 0.00 176.83 176.28 1fiq h GLU 983 N -0.52 0.74 0.36 3.45 5.08 -1.02 -1.87 114.58 120.80 1fiq h GLU 983 Ca -0.01 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1fiq h GLU 983 Cb 0.46 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 1fiq h GLU 983 CO 0.01 0.49 -0.21 0.28 -1.00 0.00 0.00 179.01 178.58 1fiq h VAL 984 N 0.76 0.55 -0.81 3.13 2.07 -0.79 -2.37 116.25 118.80 1fiq h VAL 984 Ca 0.47 0.00 0.11 0.00 0.82 0.00 0.00 66.70 68.11 1fiq h VAL 984 Cb 0.59 0.55 -0.06 0.00 -1.52 0.00 0.00 31.29 30.86 1fiq h VAL 984 CO -0.32 0.00 0.53 0.44 0.02 0.00 0.00 177.57 178.24 1fiq h ASP 985 N -0.54 0.62 0.21 0.57 3.32 -0.95 -1.25 116.42 118.40 1fiq h ASP 985 Ca -0.04 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 1fiq h ASP 985 Cb 0.45 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1fiq h ASP 985 CO 0.04 0.35 -0.10 0.50 -1.72 0.00 0.00 179.24 178.31 1fiq h LYS 986 N 0.68 -0.27 -0.54 3.56 3.64 -1.07 -2.67 116.57 119.89 1fiq h LYS 986 Ca 0.38 0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.88 1fiq h LYS 986 Cb 0.55 0.06 -0.08 0.00 -0.41 0.00 0.00 32.23 32.35 1fiq h LYS 986 CO -0.15 -0.09 0.06 0.35 -2.27 0.00 0.00 179.45 177.35 1fiq h PHE 987 N -0.41 0.08 0.00 1.91 3.57 -0.86 0.33 116.94 121.56 1fiq h PHE 987 Ca -0.03 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1fiq h PHE 987 Cb 0.31 0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.10 1fiq h PHE 987 CO -0.03 -0.07 0.00 0.09 -2.23 0.00 0.00 178.31 176.07 1fiq n ASN 988 N -5.18 0.00 -0.08 0.41 4.13 -0.54 -0.78 115.26 113.22 1fiq n ASN 988 Ca 0.07 0.27 -0.08 0.00 1.68 0.00 0.00 54.58 56.52 1fiq n ASN 988 Cb 0.29 -0.33 -0.12 0.00 -1.54 0.00 0.00 39.78 38.08 1fiq n ASN 988 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1fiq n LYS 989 N -1.33 1.36 0.00 3.52 5.02 0.10 -4.44 118.16 122.40 1fiq n LYS 989 Ca 0.02 0.01 0.13 0.00 -2.02 0.00 0.00 58.31 56.45 1fiq n LYS 989 Cb 0.04 -1.39 0.40 0.00 -0.02 0.00 0.00 35.03 34.07 1fiq n LYS 989 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1fiq n GLU 990 N -2.64 0.57 -4.92 1.97 1.02 -0.30 -4.85 120.64 111.49 1fiq n GLU 990 Ca -0.26 -0.30 -0.27 0.00 -0.02 0.00 0.00 57.16 56.31 1fiq n GLU 990 Cb 0.98 -1.49 -0.16 0.00 -0.02 0.00 0.00 31.44 30.75 1fiq n GLU 990 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1fiq s ASN 991 N -2.64 2.31 -0.26 1.62 0.01 0.04 -5.05 114.94 110.97 1fiq s ASN 991 Ca 0.22 -0.37 -0.01 0.00 -0.71 0.00 0.00 52.86 51.99 1fiq s ASN 991 Cb 0.19 -0.50 -0.17 0.00 0.41 0.00 0.00 41.25 41.18 1fiq s ASN 991 CO 0.55 0.19 -0.21 0.00 -1.51 0.00 0.00 177.10 176.12 1fiq n TRP 993 N -3.42 1.13 -3.81 0.00 7.02 -1.26 -4.92 117.44 112.18 1fiq n TRP 993 Ca -0.46 -0.75 -0.13 0.00 -1.02 0.00 0.00 57.50 55.14 1fiq n TRP 993 Cb 0.98 -0.28 -0.13 0.00 -2.42 0.00 0.00 31.31 29.46 1fiq n TRP 993 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1fiq s LYS 994 N -2.34 0.18 0.04 -0.99 1.02 -1.26 -2.18 119.74 114.20 1fiq s LYS 994 Ca 0.42 0.24 -0.01 0.00 0.02 0.00 0.00 55.97 56.65 1fiq s LYS 994 Cb 0.31 0.06 -0.03 0.00 -0.52 0.00 0.00 37.83 37.65 1fiq s LYS 994 CO 0.14 -0.04 -0.03 0.15 -0.92 0.00 0.00 175.35 174.65 1fiq s LYS 995 N 0.21 0.50 0.18 1.68 -0.14 -1.21 -4.70 119.74 116.26 1fiq s LYS 995 Ca -0.01 -0.98 0.10 0.00 -1.36 0.00 0.00 55.97 53.72 1fiq s LYS 995 Cb -0.02 0.16 -0.04 0.00 -1.68 0.00 0.00 37.83 36.25 1fiq s LYS 995 CO -0.01 -0.09 -0.20 1.03 -0.76 0.00 0.00 175.35 175.33 1fiq s ARG 996 N -2.96 1.68 0.11 1.68 0.52 -1.26 -0.80 118.95 117.91 1fiq s ARG 996 Ca -0.02 -1.42 0.05 0.00 -0.52 0.00 0.00 55.73 53.82 1fiq s ARG 996 Cb 0.01 -1.96 -0.04 0.00 0.52 0.00 0.00 34.95 33.49 1fiq s ARG 996 CO -0.06 0.42 -0.12 0.20 0.02 0.00 0.00 175.30 175.76 1fiq s GLY 997 N -2.63 0.96 -0.11 -3.53 0.00 -0.78 -4.11 107.32 97.12 1fiq s GLY 997 Ca 0.21 -1.25 -0.07 0.00 0.00 0.00 0.00 44.72 43.61 1fiq s GLY 997 CO 0.11 -1.32 0.28 -2.27 0.00 0.00 0.00 173.10 169.90 1fiq s LEU 998 N -2.50 0.52 -0.24 0.66 2.96 -1.26 -1.95 118.68 116.86 1fiq s LEU 998 Ca 0.08 0.59 -0.20 0.00 -0.22 0.00 0.00 54.13 54.38 1fiq s LEU 998 Cb -0.03 0.89 0.07 0.00 0.50 0.00 0.00 46.19 47.62 1fiq s LEU 998 CO 0.01 -0.15 0.63 0.00 -1.32 0.00 0.00 176.35 175.53 1fiq s ILE 1000N 0.76 2.90 -0.02 0.00 2.07 -1.26 -1.70 121.20 123.96 1fiq s ILE 1000Ca -0.03 -0.71 0.04 0.00 -1.41 0.00 0.00 60.65 58.54 1fiq s ILE 1000Cb -0.05 -2.22 -0.01 0.00 0.13 0.00 0.00 42.46 40.31 1fiq s ILE 1000CO -0.06 0.52 -0.13 -0.63 -1.91 0.00 0.00 174.94 172.73 1fiq s ILE 1001N 0.51 1.05 0.51 2.00 1.01 0.41 -4.91 121.20 121.78 1fiq s ILE 1001Ca -0.09 -0.55 0.05 0.00 0.00 0.00 0.00 60.65 60.05 1fiq s ILE 1001Cb -0.16 -0.89 0.04 0.00 0.01 0.00 0.00 42.46 41.46 1fiq s ILE 1001CO 0.04 0.30 0.71 -2.16 0.00 0.00 0.00 174.94 173.83 1fiq s PRO 1002N -0.17 2.57 -0.12 2.79 0.04 -1.26 -1.06 135.00 137.79 1fiq s PRO 1002Ca 0.02 -1.08 -0.30 0.00 0.04 0.00 0.00 61.00 59.68 1fiq s PRO 1002Cb -0.07 -2.60 0.10 0.00 0.04 0.00 0.00 34.50 31.97 1fiq s PRO 1002CO 0.00 -0.60 0.84 -0.08 0.04 0.00 0.00 177.00 177.20 1fiq s THR 1003N -2.61 0.00 -0.01 1.26 -1.32 -0.54 -4.87 115.64 107.55 1fiq s THR 1003Ca 0.57 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 61.07 1fiq s THR 1003Cb -0.09 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.90 1fiq s THR 1003CO 0.37 0.00 -0.04 -1.59 -2.21 0.00 0.00 174.62 171.15 1fiq s LYS 1004N -1.05 0.40 -0.09 7.08 -2.85 -1.26 -2.29 119.74 119.68 1fiq s LYS 1004Ca -0.06 -0.14 0.01 0.00 -1.00 0.00 0.00 55.97 54.79 1fiq s LYS 1004Cb -0.01 -0.41 0.02 0.00 -2.06 0.00 0.00 37.83 35.37 1fiq s LYS 1004CO 0.05 0.06 -0.12 0.12 0.10 0.00 0.00 175.35 175.57 1fiq s PHE 1005N 0.08 1.63 -0.03 1.78 5.36 -0.36 -4.93 117.98 121.51 1fiq s PHE 1005Ca -0.00 -0.72 -0.30 0.00 -0.96 0.00 0.00 56.93 54.94 1fiq s PHE 1005Cb -0.04 -1.23 -0.05 0.00 -0.34 0.00 0.00 43.02 41.37 1fiq s PHE 1005CO -0.00 -0.41 1.35 0.20 -1.46 0.00 0.00 175.22 174.90 1fiq s GLY 1006N 1.07 1.88 -0.43 13.12 0.00 -1.26 -1.59 107.32 120.11 1fiq s GLY 1006Ca -0.06 0.78 -0.17 0.00 0.00 0.00 0.00 44.72 45.27 1fiq s GLY 1006CO -0.02 2.47 0.40 -0.42 0.00 0.00 0.00 173.10 175.53 1fiq s ILE 1007N 2.55 5.14 0.00 0.90 -1.09 -0.53 -4.98 121.20 123.19 1fiq s ILE 1007Ca 0.62 -0.50 0.00 0.00 -2.23 0.00 0.00 60.65 58.53 1fiq s ILE 1007Cb -0.29 -4.02 0.00 0.00 -1.58 0.00 0.00 42.46 36.57 1fiq s ILE 1007CO 0.24 -0.42 0.00 -1.20 -1.23 0.00 0.00 174.94 172.34 1fiq n SER 1008N 5.46 0.00 -4.76 3.58 7.64 -1.26 -1.82 113.62 122.45 1fiq n SER 1008Ca -0.09 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.38 1fiq n SER 1008Cb 0.47 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.66 1fiq n SER 1008CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1fiq s PHE 1009N -2.00 2.78 -0.85 1.43 0.40 -1.26 -4.86 117.98 113.62 1fiq s PHE 1009Ca 0.00 1.08 0.25 0.00 -0.60 0.00 0.00 56.93 57.65 1fiq s PHE 1009Cb 0.00 -3.95 0.96 0.00 0.51 0.00 0.00 43.02 40.54 1fiq s PHE 1009CO 0.00 -2.93 1.76 0.25 0.70 0.00 0.00 175.22 175.01 1fiq n THR 1010N 1.30 0.49 -3.28 0.64 -2.24 -1.26 -4.31 114.28 105.62 1fiq n THR 1010Ca 0.04 0.00 -0.46 0.00 -2.27 0.00 0.00 64.05 61.36 1fiq n THR 1010Cb 0.39 -0.72 -0.05 0.00 -2.10 0.00 0.00 70.33 67.85 1fiq n THR 1010CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1fiq s VAL 1011N -3.08 5.18 0.12 2.28 1.01 -1.26 -4.92 120.40 119.73 1fiq s VAL 1011Ca 0.10 -1.50 -0.07 0.00 0.00 0.00 0.00 61.98 60.51 1fiq s VAL 1011Cb 0.14 -4.37 0.14 0.00 0.00 0.00 0.00 36.38 32.29 1fiq s VAL 1011CO 0.48 -0.92 0.76 -2.65 0.00 0.00 0.00 175.10 172.76 1fiq n PRO 1012N 5.32 -0.10 0.02 2.72 -0.02 -1.26 -1.69 135.00 139.99 1fiq n PRO 1012Ca -0.11 0.75 0.06 0.00 -2.02 0.00 0.00 63.50 62.18 1fiq n PRO 1012Cb 0.41 -1.12 0.28 0.00 -0.02 0.00 0.00 33.50 33.05 1fiq n PRO 1012CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 1fiq n PHE 1013N -4.74 0.10 0.82 6.00 1.16 -1.26 -2.42 117.46 117.13 1fiq n PHE 1013Ca 0.06 0.04 0.13 0.00 -1.87 0.00 0.00 57.45 55.81 1fiq n PHE 1013Cb 0.21 -0.57 0.42 0.00 -1.61 0.00 0.00 39.48 37.94 1fiq n PHE 1013CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 1fiq n LEU 1014N -1.59 0.43 -3.52 5.98 4.77 -0.68 -4.28 117.00 118.11 1fiq n LEU 1014Ca 0.03 0.39 -0.40 0.00 -0.03 0.00 0.00 56.01 56.00 1fiq n LEU 1014Cb 0.14 -0.36 -0.01 0.00 -2.33 0.00 0.00 43.42 40.86 1fiq n LEU 1014CO 0.12 -0.04 2.87 0.59 -1.33 0.00 0.00 177.39 179.60 1fiq n ASN 1015N -1.82 6.92 -3.81 -1.43 3.02 -1.02 -4.77 115.26 112.35 1fiq n ASN 1015Ca 0.06 -2.81 -0.12 0.00 -0.03 0.00 0.00 54.58 51.68 1fiq n ASN 1015Cb 0.38 -1.54 -0.10 0.00 -0.61 0.00 0.00 39.78 37.91 1fiq n ASN 1015CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1fiq s GLN 1016N 1.63 0.44 -0.09 3.52 -2.07 -1.26 -1.60 119.66 120.23 1fiq s GLN 1016Ca 0.57 -0.04 -0.13 0.00 -1.82 0.00 0.00 55.36 53.95 1fiq s GLN 1016Cb 0.16 0.19 0.03 0.00 -1.09 0.00 0.00 33.01 32.30 1fiq s GLN 1016CO -0.07 -0.10 0.33 0.00 -1.32 0.00 0.00 175.29 174.14 1fiq s ALA 1017N -0.72 -0.83 0.20 2.60 0.00 -0.36 -4.54 121.76 118.12 1fiq s ALA 1017Ca -0.08 0.73 0.08 0.00 0.00 0.00 0.00 51.96 52.69 1fiq s ALA 1017Cb -0.04 -0.33 -0.05 0.00 0.00 0.00 0.00 23.12 22.70 1fiq s ALA 1017CO 0.02 -0.20 -0.15 0.20 0.00 0.00 0.00 175.76 175.63 1fiq s GLY 1018N -0.38 1.43 0.12 0.00 0.00 -1.26 -1.04 107.32 106.20 1fiq s GLY 1018Ca -0.05 -1.66 -0.04 0.00 0.00 0.00 0.00 44.72 42.97 1fiq s GLY 1018CO 0.02 -1.75 0.10 0.00 0.00 0.00 0.00 173.10 171.47 1fiq s ALA 1019N -2.94 0.48 -0.02 3.20 0.00 -0.34 -2.31 121.76 119.84 1fiq s ALA 1019Ca 0.22 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 50.99 1fiq s ALA 1019Cb -0.01 0.71 0.03 0.00 0.00 0.00 0.00 23.12 23.84 1fiq s ALA 1019CO 0.07 -0.50 0.03 -1.17 0.00 0.00 0.00 175.76 174.18 1fiq s LEU 1020N -2.98 1.17 -0.02 0.00 2.96 0.10 -0.97 118.68 118.93 1fiq s LEU 1020Ca 0.17 0.04 0.03 0.00 -0.22 0.00 0.00 54.13 54.14 1fiq s LEU 1020Cb 0.06 -0.06 0.00 0.00 0.50 0.00 0.00 46.19 46.69 1fiq s LEU 1020CO -0.02 -0.12 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.16 1fiq s ILE 1021N 0.96 0.83 -0.02 6.68 -1.09 0.29 -1.14 121.20 127.73 1fiq s ILE 1021Ca -0.08 -0.40 0.06 0.00 -2.23 0.00 0.00 60.65 58.00 1fiq s ILE 1021Cb -0.12 -0.73 -0.01 0.00 -1.58 0.00 0.00 42.46 40.02 1fiq s ILE 1021CO -0.03 0.26 -0.19 -1.00 -1.23 0.00 0.00 174.94 172.75 1fiq s HIS 1022N 0.12 1.66 -0.25 3.97 3.76 -0.78 -1.41 115.29 122.37 1fiq s HIS 1022Ca -0.02 -0.32 0.02 0.00 -0.15 0.00 0.00 55.06 54.59 1fiq s HIS 1022Cb -0.08 -1.07 0.05 0.00 1.11 0.00 0.00 32.58 32.59 1fiq s HIS 1022CO 0.00 -0.03 -0.11 0.08 -0.85 0.00 0.00 174.74 173.83 1fiq s VAL 1023N -0.42 2.26 0.62 -0.90 1.01 -0.50 -1.11 120.40 121.36 1fiq s VAL 1023Ca 0.07 -1.46 -0.12 0.00 0.00 0.00 0.00 61.98 60.47 1fiq s VAL 1023Cb -0.07 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.02 1fiq s VAL 1023CO -0.01 0.08 1.03 -0.31 0.00 0.00 0.00 175.10 175.89 1fiq s TYR 1024N 1.16 3.48 -1.58 5.22 1.51 -0.01 -4.81 117.35 122.32 1fiq s TYR 1024Ca -0.06 1.35 0.00 0.00 -1.01 0.00 0.00 57.07 57.35 1fiq s TYR 1024Cb -0.19 -2.77 0.00 0.00 -0.11 0.00 0.00 41.96 38.89 1fiq s TYR 1024CO -0.06 -0.78 0.51 0.25 -1.11 0.00 0.00 175.55 174.36 1fiq n THR 1025N -2.67 0.28 0.21 -0.71 -2.24 -1.26 0.23 114.28 108.12 1fiq n THR 1025Ca 0.06 0.08 0.09 0.00 -2.27 0.00 0.00 64.05 62.02 1fiq n THR 1025Cb 0.54 -1.08 0.18 0.00 -2.10 0.00 0.00 70.33 67.86 1fiq n THR 1025CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1fiq n ASP 1026N -1.01 3.11 0.00 3.42 3.85 -1.26 -4.62 116.55 120.03 1fiq n ASP 1026Ca 0.00 -1.90 0.00 0.00 -0.71 0.00 0.00 54.79 52.18 1fiq n ASP 1026Cb 0.01 -0.21 0.00 0.00 -1.35 0.00 0.00 41.12 39.57 1fiq n ASP 1026CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1fiq n GLY 1027N 1.15 3.25 3.75 6.12 0.00 0.14 -4.88 105.19 114.72 1fiq n GLY 1027Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 1fiq n GLY 1027CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1fiq s SER 1028N -0.99 5.41 -0.04 1.61 1.04 -1.25 -4.69 113.70 114.79 1fiq s SER 1028Ca 0.00 2.79 0.07 0.00 0.48 0.00 0.00 55.95 59.28 1fiq s SER 1028Cb 0.00 -2.64 -0.02 0.00 0.10 0.00 0.00 66.02 63.47 1fiq s SER 1028CO 0.00 -1.48 -0.24 -0.69 0.98 0.00 0.00 173.24 171.81 1fiq s VAL 1029N -1.29 2.14 -0.21 5.02 1.01 0.69 -0.83 120.40 126.92 1fiq s VAL 1029Ca 0.69 -1.05 -0.01 0.00 0.00 0.00 0.00 61.98 61.61 1fiq s VAL 1029Cb -0.41 -1.76 0.02 0.00 0.00 0.00 0.00 36.38 34.23 1fiq s VAL 1029CO 0.49 0.57 -0.12 -0.22 0.00 0.00 0.00 175.10 175.82 1fiq s LEU 1030N -0.35 2.67 -0.05 3.92 2.96 -0.27 -0.58 118.68 126.98 1fiq s LEU 1030Ca 0.02 -0.72 -0.02 0.00 -0.22 0.00 0.00 54.13 53.20 1fiq s LEU 1030Cb -0.12 -1.59 -0.04 0.00 0.50 0.00 0.00 46.19 44.94 1fiq s LEU 1030CO 0.02 -0.05 0.06 -0.69 -1.32 0.00 0.00 176.35 174.37 1fiq s VAL 1031N 1.32 4.72 -0.03 1.68 1.01 0.36 -1.86 120.40 127.60 1fiq s VAL 1031Ca 0.03 -0.26 -0.02 0.00 0.00 0.00 0.00 61.98 61.73 1fiq s VAL 1031Cb -0.15 -3.09 0.01 0.00 0.00 0.00 0.00 36.38 33.16 1fiq s VAL 1031CO -0.08 0.48 0.06 -0.55 0.00 0.00 0.00 175.10 175.01 1fiq s SER 1032N -1.34 -0.05 0.14 3.32 0.15 -0.29 -4.32 113.70 111.31 1fiq s SER 1032Ca 0.18 0.13 -0.10 0.00 0.70 0.00 0.00 55.95 56.86 1fiq s SER 1032Cb -0.12 0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.30 1fiq s SER 1032CO 0.08 -0.05 0.28 -1.38 1.20 0.00 0.00 173.24 173.38 1fiq s HIS 1033N 0.28 0.20 -1.81 3.44 -3.43 -1.26 0.03 115.29 112.74 1fiq s HIS 1033Ca -0.02 -0.58 0.11 0.00 -0.80 0.00 0.00 55.06 53.77 1fiq s HIS 1033Cb -0.03 0.02 0.61 0.00 -1.43 0.00 0.00 32.58 31.74 1fiq s HIS 1033CO -0.01 -0.67 1.13 0.41 -2.00 0.00 0.00 174.74 173.60 1fiq n GLY 1034N -0.17 -0.44 3.90 -1.38 0.00 -0.98 -4.76 105.19 101.37 1fiq n GLY 1034Ca -0.11 -0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 1fiq n GLY 1034CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1fiq s GLY 1035N -2.19 1.84 0.21 -0.02 0.00 -1.26 -4.74 107.32 101.17 1fiq s GLY 1035Ca 0.14 -0.53 0.10 0.00 0.00 0.00 0.00 44.72 44.43 1fiq s GLY 1035CO 0.14 -0.42 -0.13 -0.51 0.00 0.00 0.00 173.10 172.18 1fiq s THR 1036N -2.13 2.91 -0.24 0.90 -4.23 -1.26 -4.75 115.64 106.83 1fiq s THR 1036Ca 0.45 -1.92 -0.12 0.00 -1.18 0.00 0.00 61.69 58.92 1fiq s THR 1036Cb -0.11 -2.47 -0.05 0.00 1.34 0.00 0.00 72.50 71.22 1fiq s THR 1036CO 0.30 -0.20 0.21 -0.70 -0.54 0.00 0.00 174.62 173.69 1fiq s GLU 1037N -3.05 4.06 -0.04 3.99 2.56 -1.26 -4.83 118.70 120.13 1fiq s GLU 1037Ca 0.26 -0.20 0.05 0.00 0.00 0.00 0.00 54.97 55.08 1fiq s GLU 1037Cb -0.08 -3.57 0.08 0.00 2.00 0.00 0.00 34.13 32.57 1fiq s GLU 1037CO 0.15 -0.02 0.93 0.00 -0.56 0.00 0.00 175.26 175.76 1fiq n MET 1038N 4.52 1.22 0.00 4.30 0.00 -1.26 -0.97 117.12 124.92 1fiq n MET 1038Ca -0.14 -1.47 0.00 0.00 0.00 0.00 0.00 57.70 56.10 1fiq n MET 1038Cb 0.52 -0.92 0.00 0.00 0.00 0.00 0.00 33.22 32.82 1fiq n MET 1038CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1fiq n GLY 1039N -0.54 1.48 0.00 3.17 0.00 -1.26 -3.17 105.19 104.87 1fiq n GLY 1039Ca 0.04 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.18 1fiq n GLY 1039CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fiq n GLN 1040N -0.73 0.05 -2.36 1.61 0.00 -1.26 -4.91 117.38 109.78 1fiq n GLN 1040Ca 0.00 0.10 -0.03 0.00 0.00 0.00 0.00 57.00 57.07 1fiq n GLN 1040Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.74 1fiq n GLN 1040CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1fiq n GLY 1041N 0.86 0.55 0.14 2.61 0.00 -1.26 -4.98 105.19 103.11 1fiq n GLY 1041Ca 0.06 -0.67 -0.14 0.00 0.00 0.00 0.00 46.02 45.27 1fiq n GLY 1041CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1fiq h LEU 1042N -0.16 -0.22 -0.87 0.99 5.85 -1.91 -2.58 115.31 116.40 1fiq h LEU 1042Ca -0.06 -0.08 0.08 0.00 0.84 0.00 0.00 57.88 58.66 1fiq h LEU 1042Cb 1.04 0.06 -0.07 0.00 0.37 0.00 0.00 40.66 42.06 1fiq h LEU 1042CO 0.06 -0.06 0.52 0.45 -0.34 0.00 0.00 178.44 179.08 1fiq h HIS 1043N -0.38 0.96 -0.43 1.25 3.86 -1.93 -1.03 115.15 117.44 1fiq h HIS 1043Ca -0.03 0.03 0.05 0.00 -1.16 0.00 0.00 60.37 59.26 1fiq h HIS 1043Cb 0.29 -0.30 -0.05 0.00 1.06 0.00 0.00 27.41 28.41 1fiq h HIS 1043CO -0.03 0.43 0.16 1.15 0.86 0.00 0.00 177.93 180.51 1fiq h THR 1044N 0.91 0.88 -0.62 2.45 2.02 -1.93 -1.03 112.91 115.59 1fiq h THR 1044Ca 0.40 -0.12 -0.03 0.00 0.77 0.00 0.00 66.41 67.44 1fiq h THR 1044Cb 0.29 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.19 1fiq h THR 1044CO -0.22 0.06 0.28 0.11 0.37 0.00 0.00 175.52 176.13 1fiq h LYS 1045N 0.34 0.91 -0.42 6.66 1.57 -0.87 -1.33 116.57 123.43 1fiq h LYS 1045Ca 0.20 -0.14 -0.06 0.00 -1.87 0.00 0.00 60.65 58.77 1fiq h LYS 1045Cb 0.18 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1fiq h LYS 1045CO -0.19 0.74 0.00 0.52 -0.57 0.00 0.00 179.45 179.95 1fiq h MET 1046N 0.86 0.67 -0.43 3.15 2.86 -0.83 0.22 114.93 121.43 1fiq h MET 1046Ca 0.21 -0.16 -0.10 0.00 -2.06 0.00 0.00 59.70 57.58 1fiq h MET 1046Cb 0.15 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 1fiq h MET 1046CO -0.02 0.69 -0.15 0.28 1.06 0.00 0.00 176.91 178.77 1fiq h VAL 1047N 0.63 1.26 -0.22 -2.22 2.07 -0.88 0.14 116.25 117.04 1fiq h VAL 1047Ca 0.13 -1.24 -0.03 0.00 0.82 0.00 0.00 66.70 66.38 1fiq h VAL 1047Cb 0.40 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1fiq h VAL 1047CO 0.01 0.42 0.02 1.56 0.02 0.00 0.00 177.57 179.61 1fiq h GLN 1048N 0.72 0.37 0.89 1.57 4.20 -0.31 0.42 115.11 122.96 1fiq h GLN 1048Ca 0.11 -0.11 -0.04 0.00 0.06 0.00 0.00 58.65 58.68 1fiq h GLN 1048Cb 0.65 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.39 1fiq h GLN 1048CO 0.05 0.53 -0.49 0.28 -0.67 0.00 0.00 178.83 178.52 1fiq h VAL 1049N 0.16 0.01 -0.77 -0.54 2.07 -0.24 -2.21 116.25 114.73 1fiq h VAL 1049Ca 0.06 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.74 1fiq h VAL 1049Cb 0.35 0.01 -0.10 0.00 -1.52 0.00 0.00 31.29 30.02 1fiq h VAL 1049CO 0.01 0.00 0.28 0.00 0.02 0.00 0.00 177.57 177.88 1fiq h ALA 1050N -1.23 1.08 -0.71 1.67 0.00 -0.74 0.70 119.26 120.03 1fiq h ALA 1050Ca -0.12 0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.99 1fiq h ALA 1050Cb 1.00 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 1fiq h ALA 1050CO 0.16 -0.26 0.47 1.03 0.00 0.00 0.00 179.25 180.65 1fiq h SER 1051N 0.40 0.65 0.09 0.00 0.87 -0.71 -0.54 113.55 114.31 1fiq h SER 1051Ca 0.43 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.99 1fiq h SER 1051Cb 0.70 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 1fiq h SER 1051CO -0.45 0.42 -0.04 0.50 -0.53 0.00 0.00 176.83 176.73 1fiq h LYS 1052N 0.74 -0.12 -0.73 2.24 3.64 -0.31 -1.64 116.57 120.39 1fiq h LYS 1052Ca 0.31 0.01 0.14 0.00 -1.27 0.00 0.00 60.65 59.84 1fiq h LYS 1052Cb 0.25 0.03 -0.10 0.00 -0.41 0.00 0.00 32.23 32.00 1fiq h LYS 1052CO -0.10 0.27 0.25 0.00 -2.27 0.00 0.00 179.45 177.59 1fiq h ALA 1053N -0.56 0.98 0.00 5.00 0.00 -0.88 0.20 119.26 123.99 1fiq h ALA 1053Ca -0.01 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1fiq h ALA 1053Cb 0.44 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1fiq h ALA 1053CO 0.02 -0.26 -0.14 1.28 0.00 0.00 0.00 179.25 180.16 1fiq n LEU 1054N -5.06 0.54 -3.42 0.00 4.77 -0.22 -4.89 117.00 108.72 1fiq n LEU 1054Ca 0.13 0.45 -0.18 0.00 -0.03 0.00 0.00 56.01 56.39 1fiq n LEU 1054Cb 0.41 -0.34 0.07 0.00 -2.33 0.00 0.00 43.42 41.23 1fiq n LEU 1054CO 0.17 -0.09 0.03 0.29 -1.33 0.00 0.00 177.39 176.46 1fiq n LYS 1055N -1.96 -4.03 -3.92 3.23 5.02 0.68 -5.03 118.16 112.15 1fiq n LYS 1055Ca 0.06 0.78 -0.09 0.00 -2.02 0.00 0.00 58.31 57.04 1fiq n LYS 1055Cb 0.40 -5.58 -0.09 0.00 -0.02 0.00 0.00 35.03 29.73 1fiq n LYS 1055CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1fiq s ILE 1056N -3.43 0.13 0.48 -0.18 -4.36 -0.68 -5.04 121.20 108.13 1fiq s ILE 1056Ca 0.24 -1.10 -0.23 0.00 -0.26 0.00 0.00 60.65 59.30 1fiq s ILE 1056Cb -0.04 -0.92 -0.08 0.00 1.25 0.00 0.00 42.46 42.67 1fiq s ILE 1056CO 0.76 -0.61 1.18 -2.65 0.24 0.00 0.00 174.94 173.86 1fiq n PRO 1057N 0.73 1.57 -0.10 0.37 -0.02 -1.26 -4.55 135.00 131.74 1fiq n PRO 1057Ca -0.19 0.57 0.09 0.00 -2.02 0.00 0.00 63.50 61.95 1fiq n PRO 1057Cb 0.59 -2.31 0.44 0.00 -0.02 0.00 0.00 33.50 32.19 1fiq n PRO 1057CO 0.00 0.00 0.00 -0.84 1.98 0.00 0.00 175.50 176.64 1fiq h ILE 1058N 1.54 0.97 -0.24 4.25 3.07 -1.90 -2.32 117.51 122.88 1fiq h ILE 1058Ca -0.48 -0.19 0.07 0.00 1.55 0.00 0.00 64.86 65.81 1fiq h ILE 1058Cb 1.32 0.38 -0.01 0.00 -0.27 0.00 0.00 36.82 38.24 1fiq h ILE 1058CO 0.57 0.10 0.34 0.77 -1.05 0.00 0.00 178.15 178.87 1fiq h SER 1059N 0.54 0.00 0.43 2.16 4.64 -1.98 0.43 113.55 119.77 1fiq h SER 1059Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1fiq h SER 1059Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1fiq h SER 1059CO -0.08 0.00 -0.32 0.29 -0.87 0.00 0.00 176.83 175.85 1fiq n LYS 1060N -3.53 0.39 -4.29 4.77 5.02 -0.87 -4.87 118.16 114.78 1fiq n LYS 1060Ca 0.03 -0.20 -0.32 0.00 -2.02 0.00 0.00 58.31 55.80 1fiq n LYS 1060Cb 0.46 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.89 1fiq n LYS 1060CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1fiq s ILE 1061N -2.75 4.04 -0.12 -0.18 1.01 0.14 -0.23 121.20 123.11 1fiq s ILE 1061Ca 0.18 -0.69 -0.13 0.00 0.00 0.00 0.00 60.65 60.01 1fiq s ILE 1061Cb 0.19 -2.81 0.03 0.00 0.01 0.00 0.00 42.46 39.88 1fiq s ILE 1061CO 0.59 0.34 0.36 -0.47 0.00 0.00 0.00 174.94 175.77 1fiq s TYR 1062N -1.10 -0.37 -0.15 3.97 5.04 0.25 -4.94 117.35 120.04 1fiq s TYR 1062Ca 0.20 0.87 0.01 0.00 -2.44 0.00 0.00 57.07 55.72 1fiq s TYR 1062Cb -0.11 0.13 0.02 0.00 0.35 0.00 0.00 41.96 42.35 1fiq s TYR 1062CO 0.11 -0.23 -0.18 0.42 -1.34 0.00 0.00 175.55 174.33 1fiq s ILE 1063N -0.07 1.81 -0.18 3.14 1.01 -1.26 -0.49 121.20 125.16 1fiq s ILE 1063Ca -0.02 -0.80 -0.17 0.00 0.00 0.00 0.00 60.65 59.66 1fiq s ILE 1063Cb -0.03 -1.65 -0.13 0.00 0.01 0.00 0.00 42.46 40.66 1fiq s ILE 1063CO 0.01 0.50 0.08 -1.28 0.00 0.00 0.00 174.94 174.25 1fiq h SER 1064N 7.78 0.00 -1.65 3.58 0.87 -2.00 -3.50 113.55 118.63 1fiq h SER 1064Ca -0.38 -0.33 0.01 0.00 -1.23 0.00 0.00 61.79 59.86 1fiq h SER 1064Cb 1.15 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.11 1fiq h SER 1064CO 0.56 1.21 0.14 -1.84 -0.53 0.00 0.00 176.83 176.37 1fiq n GLU 1065N -4.51 0.39 -4.92 2.24 0.28 -1.26 -4.88 120.64 107.99 1fiq n GLU 1065Ca -0.23 -0.79 -0.33 0.00 -0.16 0.00 0.00 57.16 55.66 1fiq n GLU 1065Cb 0.52 1.00 -0.15 0.00 1.43 0.00 0.00 31.44 34.24 1fiq n GLU 1065CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1fiq s THR 1066N -2.58 2.76 0.00 3.84 2.01 0.01 -4.71 115.64 116.98 1fiq s THR 1066Ca 0.07 -0.77 -0.11 0.00 0.31 0.00 0.00 61.69 61.19 1fiq s THR 1066Cb -0.02 -2.13 0.01 0.00 0.01 0.00 0.00 72.50 70.37 1fiq s THR 1066CO 0.04 0.54 0.22 -0.94 -0.69 0.00 0.00 174.62 173.78 1fiq s SER 1067N 0.26 -0.06 0.15 3.53 1.04 -1.26 -0.23 113.70 117.13 1fiq s SER 1067Ca -0.11 -0.12 0.22 0.00 0.48 0.00 0.00 55.95 56.42 1fiq s SER 1067Cb -0.16 0.26 0.88 0.00 0.10 0.00 0.00 66.02 67.10 1fiq s SER 1067CO 0.06 -0.43 1.68 0.35 0.98 0.00 0.00 173.24 175.88 1fiq n THR 1068N 1.26 0.75 1.15 2.02 -2.24 -0.83 -2.56 114.28 113.83 1fiq n THR 1068Ca -0.22 0.12 0.12 0.00 -2.27 0.00 0.00 64.05 61.81 1fiq n THR 1068Cb 0.56 -0.95 0.22 0.00 -2.10 0.00 0.00 70.33 68.06 1fiq n THR 1068CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1fiq n ASN 1069N -1.96 2.33 -0.10 3.42 6.94 -1.26 -3.96 115.26 120.67 1fiq n ASN 1069Ca 0.04 -1.72 -0.20 0.00 -0.02 0.00 0.00 54.58 52.68 1fiq n ASN 1069Cb 0.26 0.08 -0.08 0.00 -2.36 0.00 0.00 39.78 37.67 1fiq n ASN 1069CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 1fiq n THR 1070N 0.71 1.16 -3.73 5.53 -2.24 -1.06 -4.91 114.28 109.73 1fiq n THR 1070Ca 0.15 -0.35 -0.28 0.00 -2.27 0.00 0.00 64.05 61.30 1fiq n THR 1070Cb 0.50 -1.58 -0.16 0.00 -2.10 0.00 0.00 70.33 66.99 1fiq n THR 1070CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1fiq s VAL 1071N -2.39 0.60 0.70 2.28 1.01 -1.07 -4.79 120.40 116.74 1fiq s VAL 1071Ca -0.29 -0.79 -0.07 0.00 0.00 0.00 0.00 61.98 60.83 1fiq s VAL 1071Cb 0.10 -1.21 0.05 0.00 0.00 0.00 0.00 36.38 35.33 1fiq s VAL 1071CO 0.40 -0.35 1.02 -2.16 0.00 0.00 0.00 175.10 174.01 1fiq s PRO 1072N 1.80 2.29 -1.80 2.72 0.04 -1.25 -4.44 135.00 134.35 1fiq s PRO 1072Ca 0.02 -0.15 -0.20 0.00 0.04 0.00 0.00 61.00 60.71 1fiq s PRO 1072Cb -0.17 -2.15 0.19 0.00 0.04 0.00 0.00 34.50 32.41 1fiq s PRO 1072CO -0.14 -1.21 0.58 0.09 0.04 0.00 0.00 177.00 176.37 1fiq n ASN 1073N -2.93 -1.88 -4.83 6.66 3.02 -1.26 -4.91 115.26 109.13 1fiq n ASN 1073Ca 0.08 -1.19 -0.33 0.00 -0.03 0.00 0.00 54.58 53.11 1fiq n ASN 1073Cb 0.60 -1.92 -0.05 0.00 -0.61 0.00 0.00 39.78 37.80 1fiq n ASN 1073CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1fiq s SER 1074N -3.40 6.67 0.59 6.41 1.04 -1.26 -5.05 113.70 118.69 1fiq s SER 1074Ca 0.71 1.67 -0.09 0.00 0.48 0.00 0.00 55.95 58.72 1fiq s SER 1074Cb -0.41 -2.53 -0.04 0.00 0.10 0.00 0.00 66.02 63.15 1fiq s SER 1074CO 1.00 -0.55 0.97 -0.44 0.98 0.00 0.00 173.24 175.19 1fiq s SER 1075N -2.59 6.21 0.51 7.02 0.01 -1.26 -4.50 113.70 119.11 1fiq s SER 1075Ca 0.61 1.27 -0.22 0.00 1.31 0.00 0.00 55.95 58.93 1fiq s SER 1075Cb -0.11 -2.39 -0.06 0.00 0.21 0.00 0.00 66.02 63.68 1fiq s SER 1075CO 0.23 -0.81 1.25 -2.16 0.41 0.00 0.00 173.24 172.16 1fiq s PRO 1076N -5.07 3.40 -0.51 12.44 0.04 -1.26 -4.84 135.00 139.20 1fiq s PRO 1076Ca 0.53 1.98 -0.27 0.00 0.04 0.00 0.00 61.00 63.28 1fiq s PRO 1076Cb -0.11 -2.29 -0.02 0.00 0.04 0.00 0.00 34.50 32.12 1fiq s PRO 1076CO 0.51 -0.90 1.86 0.99 0.04 0.00 0.00 177.00 179.51 1fiq s THR 1077N -1.45 3.39 0.07 1.26 2.01 0.81 -4.83 115.64 116.91 1fiq s THR 1077Ca 0.69 0.30 -0.05 0.00 0.31 0.00 0.00 61.69 62.93 1fiq s THR 1077Cb -0.34 -3.80 0.02 0.00 0.01 0.00 0.00 72.50 68.39 1fiq s THR 1077CO 0.40 -0.70 0.26 0.00 -0.69 0.00 0.00 174.62 173.89 1fiq n ALA 1078N 12.10 -0.64 -1.94 7.40 0.00 -1.26 -4.90 120.51 131.26 1fiq n ALA 1078Ca 0.22 -0.31 -0.13 0.00 0.00 0.00 0.00 53.44 53.22 1fiq n ALA 1078Cb 0.51 0.20 -0.03 0.00 0.00 0.00 0.00 19.45 20.13 1fiq n ALA 1078CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fiq n ALA 1079N -2.37 -0.50 -0.59 0.00 0.00 -1.26 -2.87 120.51 112.92 1fiq n ALA 1079Ca -0.04 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1fiq n ALA 1079Cb 0.16 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.15 1fiq n ALA 1079CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1fiq n SER 1080N -1.19 -1.82 -0.48 0.00 7.64 -1.26 -4.31 113.62 112.21 1fiq n SER 1080Ca -0.14 0.00 0.14 0.00 1.01 0.00 0.00 58.87 59.88 1fiq n SER 1080Cb 0.53 -2.52 0.50 0.00 -1.01 0.00 0.00 64.21 61.71 1fiq n SER 1080CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1fiq n VAL 1081N -1.67 0.00 -0.20 0.44 0.24 -1.14 -4.44 118.33 111.56 1fiq n VAL 1081Ca 0.00 -0.25 0.01 0.00 -2.04 0.00 0.00 64.34 62.06 1fiq n VAL 1081Cb 0.15 0.52 0.11 0.00 -1.47 0.00 0.00 33.84 33.15 1fiq n VAL 1081CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1fiq h SER 1082N 2.34 0.04 0.17 -1.34 0.02 -1.87 0.12 113.55 113.02 1fiq h SER 1082Ca 0.00 0.11 -0.07 0.00 -0.84 0.00 0.00 61.79 60.98 1fiq h SER 1082Cb 0.51 0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.18 1fiq h SER 1082CO 0.00 0.03 -0.27 0.74 -1.14 0.00 0.00 176.83 176.19 1fiq h THR 1083N 0.28 1.24 0.27 -2.27 2.02 -1.96 -1.29 112.91 111.19 1fiq h THR 1083Ca 0.32 -1.12 -0.01 0.00 0.77 0.00 0.00 66.41 66.36 1fiq h THR 1083Cb 0.46 1.47 0.00 0.00 -1.74 0.00 0.00 68.15 68.34 1fiq h THR 1083CO -0.39 0.34 -0.13 0.44 0.37 0.00 0.00 175.52 176.15 1fiq h ASP 1084N 0.16 -0.30 0.10 4.18 3.32 -1.37 -2.70 116.42 119.82 1fiq h ASP 1084Ca 0.03 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 56.84 1fiq h ASP 1084Cb 0.57 0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.20 1fiq h ASP 1084CO 0.04 0.16 -0.05 0.16 -1.72 0.00 0.00 179.24 177.83 1fiq h ILE 1085N -0.88 1.04 0.00 0.35 3.07 -0.83 -2.56 117.51 117.69 1fiq h ILE 1085Ca -0.04 -1.32 -0.06 0.00 1.55 0.00 0.00 64.86 65.00 1fiq h ILE 1085Cb 0.51 1.78 -0.01 0.00 -0.27 0.00 0.00 36.82 38.83 1fiq h ILE 1085CO 0.06 0.28 -0.27 1.88 -1.05 0.00 0.00 178.15 179.05 1fiq h TYR 1086N -0.84 0.00 -0.43 0.16 -1.99 -1.43 0.43 116.97 112.88 1fiq h TYR 1086Ca -0.01 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.71 1fiq h TYR 1086Cb 0.57 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.28 1fiq h TYR 1086CO 0.11 0.27 0.26 0.78 -0.00 0.00 0.00 178.16 179.59 1fiq h GLY 1087N 0.87 0.62 0.92 3.88 0.00 -1.54 0.20 103.07 108.02 1fiq h GLY 1087Ca -0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 47.33 47.03 1fiq h GLY 1087CO 0.04 0.25 0.06 -1.61 0.00 0.00 0.00 176.54 175.27 1fiq h GLN 1088N 0.57 0.61 -0.68 4.80 5.75 -0.85 -0.88 115.11 124.43 1fiq h GLN 1088Ca 0.15 -0.16 0.02 0.00 -0.15 0.00 0.00 58.65 58.51 1fiq h GLN 1088Cb -0.01 -0.07 -0.04 0.00 1.07 0.00 0.00 27.48 28.44 1fiq h GLN 1088CO -0.03 0.68 0.45 0.00 -2.65 0.00 0.00 178.83 177.28 1fiq h ALA 1089N 0.91 1.56 0.02 3.38 0.00 -0.52 -0.65 119.26 123.96 1fiq h ALA 1089Ca 0.11 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.77 1fiq h ALA 1089Cb 0.36 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1fiq h ALA 1089CO 0.01 0.39 -0.95 0.28 0.00 0.00 0.00 179.25 178.98 1fiq h VAL 1090N 0.88 1.54 0.24 0.00 2.07 -0.38 -2.96 116.25 117.63 1fiq h VAL 1090Ca 0.26 -2.83 -0.01 0.00 0.82 0.00 0.00 66.70 64.94 1fiq h VAL 1090Cb -0.03 2.60 0.00 0.00 -1.52 0.00 0.00 31.29 32.35 1fiq h VAL 1090CO -0.06 0.82 -0.12 0.22 0.02 0.00 0.00 177.57 178.45 1fiq h TYR 1091N 0.08 -0.30 -0.41 1.57 3.20 -0.40 -1.40 116.97 119.31 1fiq h TYR 1091Ca -0.05 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.88 1fiq h TYR 1091Cb 1.61 0.10 -0.06 0.00 1.54 0.00 0.00 36.73 39.93 1fiq h TYR 1091CO 0.03 -0.08 0.08 0.93 -1.64 0.00 0.00 178.16 177.47 1fiq h GLU 1092N -0.47 0.20 -0.59 1.82 4.39 -1.20 -0.51 114.58 118.22 1fiq h GLU 1092Ca -0.03 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 1fiq h GLU 1092Cb 0.36 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.93 1fiq h GLU 1092CO 0.05 0.13 0.32 0.00 -1.16 0.00 0.00 179.01 178.36 1fiq h ALA 1093N 1.31 1.46 -0.36 3.43 0.00 -1.46 -0.82 119.26 122.83 1fiq h ALA 1093Ca 0.20 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1fiq h ALA 1093Cb 0.24 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1fiq h ALA 1093CO -0.26 0.45 0.16 0.00 0.00 0.00 0.00 179.25 179.59 1fiq h GLN 1095N 0.43 -0.03 -0.83 0.00 1.08 -0.23 0.44 115.11 115.97 1fiq h GLN 1095Ca 0.12 0.00 0.14 0.00 -1.45 0.00 0.00 58.65 57.46 1fiq h GLN 1095Cb 0.16 0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 27.53 1fiq h GLN 1095CO -0.01 -0.02 0.54 1.15 -0.95 0.00 0.00 178.83 179.54 1fiq h THR 1096N -0.03 0.83 0.02 -0.54 2.02 -0.95 0.18 112.91 114.43 1fiq h THR 1096Ca 0.10 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 67.08 1fiq h THR 1096Cb 0.18 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 66.79 1fiq h THR 1096CO -0.22 0.11 -0.01 0.40 0.37 0.00 0.00 175.52 176.17 1fiq h ILE 1097N 0.58 1.35 -0.79 3.11 2.04 -0.59 -2.88 117.51 120.33 1fiq h ILE 1097Ca 0.41 -1.13 0.12 0.00 1.00 0.00 0.00 64.86 65.26 1fiq h ILE 1097Cb 0.75 2.11 -0.09 0.00 -0.74 0.00 0.00 36.82 38.85 1fiq h ILE 1097CO -0.16 0.29 0.39 -0.07 0.00 0.00 0.00 178.15 178.60 1fiq h LEU 1098N -0.51 0.48 0.04 1.44 3.38 0.57 -0.95 115.31 119.76 1fiq h LEU 1098Ca -0.00 0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.07 1fiq h LEU 1098Cb 0.49 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 1fiq h LEU 1098CO 0.00 0.23 -0.23 0.11 0.09 0.00 0.00 178.44 178.64 1fiq h LYS 1099N 0.60 -0.37 -0.91 1.13 1.79 -0.69 0.35 116.57 118.47 1fiq h LYS 1099Ca 0.42 0.03 0.08 0.00 -2.18 0.00 0.00 60.65 58.99 1fiq h LYS 1099Cb 0.54 0.09 -0.06 0.00 -1.58 0.00 0.00 32.23 31.21 1fiq h LYS 1099CO -0.33 -0.25 0.59 0.00 -1.08 0.00 0.00 179.45 178.38 1fiq h ARG 1100N -0.39 0.96 0.00 3.15 3.08 -1.03 -1.98 114.38 118.17 1fiq h ARG 1100Ca 0.05 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1fiq h ARG 1100Cb 0.45 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.28 1fiq h ARG 1100CO -0.18 0.64 -0.05 -0.07 -1.07 0.00 0.00 179.97 179.23 1fiq h LEU 1101N 0.99 0.00 -0.73 3.04 3.38 -0.67 -3.38 115.31 117.95 1fiq h LEU 1101Ca 0.40 -0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.50 1fiq h LEU 1101Cb 0.27 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.88 1fiq h LEU 1101CO -0.16 0.00 -0.30 -0.08 0.09 0.00 0.00 178.44 177.99 1fiq h GLU 1102N 0.00 -0.08 -0.25 1.13 4.57 -0.14 -0.15 114.58 119.67 1fiq h GLU 1102Ca 0.00 0.01 0.07 0.00 -1.18 0.00 0.00 59.36 58.26 1fiq h GLU 1102Cb 0.94 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.54 1fiq h GLU 1102CO 0.00 -0.05 0.24 -1.35 -1.18 0.00 0.00 179.01 176.67 1fiq h PRO 1103N -0.08 0.00 0.00 0.92 0.11 -1.75 -1.09 132.00 130.11 1fiq h PRO 1103Ca 0.30 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.32 1fiq h PRO 1103Cb 0.57 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.66 1fiq h PRO 1103CO -0.78 0.00 -1.12 0.74 -0.21 0.00 0.00 178.00 176.64 1fiq h PHE 1104N 0.00 0.00 -0.12 0.65 -1.00 -1.32 -3.05 116.94 112.10 1fiq h PHE 1104Ca 0.12 0.00 -0.18 0.00 2.81 0.00 0.00 57.97 60.72 1fiq h PHE 1104Cb 0.59 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.15 1fiq h PHE 1104CO 0.00 0.30 -0.67 -0.22 -1.61 0.00 0.00 178.31 176.12 1fiq h LYS 1105N 0.00 0.49 0.43 1.51 3.64 -0.56 -2.69 116.57 119.38 1fiq h LYS 1105Ca -0.08 -0.36 -0.02 0.00 -1.27 0.00 0.00 60.65 58.92 1fiq h LYS 1105Cb 1.30 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.19 1fiq h LYS 1105CO 0.03 0.98 -0.20 0.87 -2.27 0.00 0.00 179.45 178.86 1fiq h LYS 1106N 0.35 -0.55 -0.83 1.90 1.57 -1.50 -2.34 116.57 115.17 1fiq h LYS 1106Ca -0.02 0.04 0.20 0.00 -1.87 0.00 0.00 60.65 59.00 1fiq h LYS 1106Cb 1.23 0.13 -0.13 0.00 0.08 0.00 0.00 32.23 33.54 1fiq h LYS 1106CO 0.12 -0.26 0.21 0.87 -0.57 0.00 0.00 179.45 179.82 1fiq h LYS 1107N -1.02 0.23 -2.96 3.15 1.57 -1.60 -3.26 116.57 112.67 1fiq h LYS 1107Ca -0.06 -0.01 -0.61 0.00 -1.87 0.00 0.00 60.65 58.10 1fiq h LYS 1107Cb 0.55 -0.05 -0.40 0.00 0.08 0.00 0.00 32.23 32.40 1fiq h LYS 1107CO 0.10 0.15 -0.73 1.21 -0.57 0.00 0.00 179.45 179.61 1fiq s ASN 1108N -5.16 3.63 0.23 0.86 2.47 -1.01 -4.98 114.94 110.97 1fiq s ASN 1108Ca -0.12 -2.88 -0.03 0.00 0.42 0.00 0.00 52.86 50.25 1fiq s ASN 1108Cb 0.24 -1.10 0.22 0.00 -1.45 0.00 0.00 41.25 39.16 1fiq s ASN 1108CO 0.77 -0.23 1.65 -0.65 -3.72 0.00 0.00 177.10 174.92 1fiq h PRO 1109N 6.41 0.75 -0.01 0.43 0.11 -1.47 -3.00 132.00 135.23 1fiq h PRO 1109Ca 0.04 -0.29 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1fiq h PRO 1109Cb 0.90 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.96 1fiq h PRO 1109CO 0.52 0.89 -0.05 -0.25 -0.21 0.00 0.00 178.00 178.90 1fiq n ASP 1110N -4.13 0.70 -4.80 -2.05 8.00 -1.26 -4.90 116.55 108.12 1fiq n ASP 1110Ca 0.00 -1.01 -0.33 0.00 0.71 0.00 0.00 54.79 54.17 1fiq n ASP 1110Cb 0.41 -0.02 0.02 0.00 -0.02 0.00 0.00 41.12 41.51 1fiq n ASP 1110CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1fiq s GLY 1111N -2.19 2.11 0.63 0.44 0.00 -1.13 -5.04 107.32 102.14 1fiq s GLY 1111Ca 0.37 0.40 -0.08 0.00 0.00 0.00 0.00 44.72 45.40 1fiq s GLY 1111CO 0.40 0.72 0.98 -1.35 0.00 0.00 0.00 173.10 173.86 1fiq s SER 1112N -2.80 5.61 0.23 1.64 1.04 -1.26 -4.90 113.70 113.26 1fiq s SER 1112Ca 0.64 0.94 -0.06 0.00 0.48 0.00 0.00 55.95 57.95 1fiq s SER 1112Cb -0.16 -1.87 0.41 0.00 0.10 0.00 0.00 66.02 64.49 1fiq s SER 1112CO 0.38 -1.14 1.72 -0.25 0.98 0.00 0.00 173.24 174.93 1fiq h TRP 1113N -0.36 0.40 -0.01 5.02 2.91 -1.99 -1.00 115.95 120.92 1fiq h TRP 1113Ca -0.45 0.04 0.03 0.00 1.13 0.00 0.00 58.89 59.64 1fiq h TRP 1113Cb 1.25 -0.07 -0.05 0.00 -0.51 0.00 0.00 29.16 29.78 1fiq h TRP 1113CO 0.50 0.02 -0.31 0.93 -1.03 0.00 0.00 178.44 178.56 1fiq h GLU 1114N 0.38 -0.44 -0.44 2.65 3.07 -1.93 -1.46 114.58 116.42 1fiq h GLU 1114Ca 0.38 0.03 0.06 0.00 -0.50 0.00 0.00 59.36 59.33 1fiq h GLU 1114Cb 0.58 0.10 -0.09 0.00 -0.84 0.00 0.00 28.75 28.50 1fiq h GLU 1114CO -0.41 -0.29 -0.50 -0.44 -1.40 0.00 0.00 179.01 175.96 1fiq h ASP 1115N -0.45 -1.69 -0.54 1.42 3.32 -1.56 -0.17 116.42 116.74 1fiq h ASP 1115Ca 0.06 0.24 0.07 0.00 0.02 0.00 0.00 57.03 57.42 1fiq h ASP 1115Cb 0.54 0.71 -0.03 0.00 0.22 0.00 0.00 39.33 40.78 1fiq h ASP 1115CO -0.27 -0.38 0.36 -0.50 -1.72 0.00 0.00 179.24 176.73 1fiq h TRP 1116N -0.35 0.46 -0.15 4.55 6.55 -1.14 -0.53 115.95 125.34 1fiq h TRP 1116Ca 0.11 0.01 -0.07 0.00 0.95 0.00 0.00 58.89 59.89 1fiq h TRP 1116Cb 0.59 -0.15 -0.00 0.00 -0.86 0.00 0.00 29.16 28.74 1fiq h TRP 1116CO -0.70 0.24 -0.17 0.28 -1.05 0.00 0.00 178.44 177.04 1fiq h VAL 1117N 0.45 1.35 -0.75 1.49 2.07 -0.01 -0.94 116.25 119.90 1fiq h VAL 1117Ca 0.24 -1.36 -0.02 0.00 0.82 0.00 0.00 66.70 66.38 1fiq h VAL 1117Cb 0.36 1.90 -0.04 0.00 -1.52 0.00 0.00 31.29 31.99 1fiq h VAL 1117CO -0.06 0.40 0.41 -0.03 0.02 0.00 0.00 177.57 178.30 1fiq h MET 1118N 0.01 1.06 -0.72 1.57 1.85 -0.55 -1.08 114.93 117.06 1fiq h MET 1118Ca 0.02 -0.13 -0.03 0.00 -0.61 0.00 0.00 59.70 58.95 1fiq h MET 1118Cb 0.72 -0.20 -0.03 0.00 0.43 0.00 0.00 31.60 32.51 1fiq h MET 1118CO 0.04 0.79 0.33 0.00 -0.40 0.00 0.00 176.91 177.67 1fiq h ALA 1119N 1.21 0.94 0.00 0.39 0.00 -1.06 0.21 119.26 120.94 1fiq h ALA 1119Ca 0.26 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 1fiq h ALA 1119Cb 0.05 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1fiq h ALA 1119CO -0.04 0.52 -0.41 0.00 0.00 0.00 0.00 179.25 179.32 1fiq h ALA 1120N 1.16 1.30 0.01 0.00 0.00 -0.74 -1.01 119.26 119.98 1fiq h ALA 1120Ca 0.25 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 1fiq h ALA 1120Cb 0.15 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.88 1fiq h ALA 1120CO -0.03 0.51 -0.27 -0.92 0.00 0.00 0.00 179.25 178.55 1fiq h TYR 1121N 0.00 0.26 0.00 0.00 3.20 -0.57 0.78 116.97 120.64 1fiq h TYR 1121Ca -0.00 -0.14 -0.01 0.00 3.14 0.00 0.00 58.73 61.71 1fiq h TYR 1121Cb 0.73 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.97 1fiq h TYR 1121CO 0.00 0.96 -0.07 1.96 -1.64 0.00 0.00 178.16 179.38 1fiq h GLN 1122N -0.52 0.00 -0.77 1.82 1.08 -0.49 0.84 115.11 117.06 1fiq h GLN 1122Ca -0.03 0.00 -0.29 0.00 -1.45 0.00 0.00 58.65 56.87 1fiq h GLN 1122Cb 1.04 0.00 -0.17 0.00 -0.05 0.00 0.00 27.48 28.30 1fiq h GLN 1122CO 0.05 0.07 0.34 -3.47 -0.95 0.00 0.00 178.83 174.87 1fiq n ASP 1123N -3.84 4.34 -3.93 1.46 2.03 -0.39 -4.95 116.55 111.27 1fiq n ASP 1123Ca -0.02 -3.37 -0.40 0.00 0.52 0.00 0.00 54.79 51.51 1fiq n ASP 1123Cb 0.16 -0.76 0.03 0.00 -0.72 0.00 0.00 41.12 39.83 1fiq n ASP 1123CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1fiq n ARG 1124N -0.52 -0.69 -4.45 -0.67 1.74 0.29 -4.98 116.66 107.38 1fiq n ARG 1124Ca 0.45 0.22 -0.34 0.00 -0.77 0.00 0.00 57.85 57.42 1fiq n ARG 1124Cb 1.43 -3.19 -0.14 0.00 -1.02 0.00 0.00 32.46 29.54 1fiq n ARG 1124CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1fiq s VAL 1125N -3.53 3.39 0.24 1.55 1.01 0.27 -5.01 120.40 118.32 1fiq s VAL 1125Ca 0.47 -0.53 -0.31 0.00 0.00 0.00 0.00 61.98 61.61 1fiq s VAL 1125Cb -0.22 -2.47 -0.11 0.00 0.00 0.00 0.00 36.38 33.57 1fiq s VAL 1125CO 0.93 0.49 1.62 -0.55 0.00 0.00 0.00 175.10 177.59 1fiq s SER 1126N 0.63 6.42 -0.34 3.32 0.15 -1.26 -4.39 113.70 118.22 1fiq s SER 1126Ca -0.05 2.86 0.07 0.00 0.70 0.00 0.00 55.95 59.53 1fiq s SER 1126Cb -0.15 -2.62 0.50 0.00 -1.71 0.00 0.00 66.02 62.04 1fiq s SER 1126CO 0.03 -0.91 1.50 0.18 1.20 0.00 0.00 173.24 175.24 1fiq n LEU 1127N 3.06 4.80 -3.85 3.45 4.77 -1.26 -4.95 117.00 123.03 1fiq n LEU 1127Ca 0.12 -4.04 -0.17 0.00 -0.03 0.00 0.00 56.01 51.89 1fiq n LEU 1127Cb 0.37 -0.63 -0.16 0.00 -2.33 0.00 0.00 43.42 40.67 1fiq n LEU 1127CO 0.63 1.46 -0.38 -0.55 -1.33 0.00 0.00 177.39 177.23 1fiq s SER 1128N -2.64 0.43 0.12 -1.43 0.15 -1.26 -1.41 113.70 107.67 1fiq s SER 1128Ca 0.49 -0.04 -0.16 0.00 0.70 0.00 0.00 55.95 56.94 1fiq s SER 1128Cb 0.42 -0.20 0.03 0.00 -1.71 0.00 0.00 66.02 64.57 1fiq s SER 1128CO 0.01 -0.07 0.39 0.28 1.20 0.00 0.00 173.24 175.05 1fiq s THR 1129N 0.77 0.07 0.56 6.45 -1.32 -0.50 -5.00 115.64 116.67 1fiq s THR 1129Ca -0.08 -0.61 0.07 0.00 -1.21 0.00 0.00 61.69 59.87 1fiq s THR 1129Cb -0.11 -1.18 0.07 0.00 -1.51 0.00 0.00 72.50 69.78 1fiq s THR 1129CO -0.01 -0.33 0.77 0.42 -2.21 0.00 0.00 174.62 173.26 1fiq s THR 1130N -3.81 2.36 -0.03 5.08 -4.23 -1.26 -0.55 115.64 113.21 1fiq s THR 1130Ca 0.03 -0.92 -0.17 0.00 -1.18 0.00 0.00 61.69 59.45 1fiq s THR 1130Cb 0.02 -2.44 0.03 0.00 1.34 0.00 0.00 72.50 71.45 1fiq s THR 1130CO -0.12 0.00 0.37 -0.83 -0.54 0.00 0.00 174.62 173.50 1fiq s GLY 1131N -4.59 -0.22 0.02 3.99 0.00 -0.15 -4.17 107.32 102.20 1fiq s GLY 1131Ca 0.61 0.51 -0.17 0.00 0.00 0.00 0.00 44.72 45.67 1fiq s GLY 1131CO 0.38 0.28 0.38 -0.12 0.00 0.00 0.00 173.10 174.03 1fiq s PHE 1132N -1.22 -0.23 -0.16 1.90 5.36 -1.26 -1.19 117.98 121.17 1fiq s PHE 1132Ca -0.12 0.23 -0.16 0.00 -0.96 0.00 0.00 56.93 55.92 1fiq s PHE 1132Cb -0.04 0.17 0.04 0.00 -0.34 0.00 0.00 43.02 42.85 1fiq s PHE 1132CO 0.05 -0.51 0.45 -0.47 -1.46 0.00 0.00 175.22 173.28 1fiq s TYR 1133N -2.12 -0.49 -0.07 10.12 5.04 -0.20 -4.60 117.35 125.03 1fiq s TYR 1133Ca -0.08 1.18 0.02 0.00 -2.44 0.00 0.00 57.07 55.75 1fiq s TYR 1133Cb -0.02 0.17 0.02 0.00 0.35 0.00 0.00 41.96 42.48 1fiq s TYR 1133CO -0.00 -0.25 -0.11 0.50 -1.34 0.00 0.00 175.55 174.35 1fiq s ARG 1134N 0.17 1.66 -0.08 4.97 3.52 -1.26 -1.22 118.95 126.71 1fiq s ARG 1134Ca -0.01 -0.38 -0.30 0.00 -0.13 0.00 0.00 55.73 54.91 1fiq s ARG 1134Cb -0.03 -1.43 -0.05 0.00 -1.56 0.00 0.00 34.95 31.88 1fiq s ARG 1134CO 0.01 -0.02 1.60 0.99 -0.81 0.00 0.00 175.30 177.07 1fiq s THR 1135N 0.83 3.68 0.52 4.11 2.01 -0.63 -4.96 115.64 121.20 1fiq s THR 1135Ca -0.11 0.82 -0.22 0.00 0.31 0.00 0.00 61.69 62.48 1fiq s THR 1135Cb -0.15 -3.53 -0.05 0.00 0.01 0.00 0.00 72.50 68.77 1fiq s THR 1135CO 0.02 -0.08 1.29 -2.84 -0.69 0.00 0.00 174.62 172.32 1fiq s PRO 1136N 4.00 3.30 -0.55 4.92 0.02 -1.26 -4.50 135.00 140.94 1fiq s PRO 1136Ca 0.71 2.08 -0.26 0.00 0.02 0.00 0.00 61.00 63.55 1fiq s PRO 1136Cb -0.31 -2.28 0.04 0.00 0.02 0.00 0.00 34.50 31.96 1fiq s PRO 1136CO 0.28 -1.01 0.65 0.09 -0.33 0.00 0.00 177.00 176.67 1fiq n ASN 1137N -0.91 -5.78 -4.06 2.53 3.02 -1.26 -4.96 115.26 103.85 1fiq n ASN 1137Ca 0.10 -0.25 -0.09 0.00 -0.03 0.00 0.00 54.58 54.31 1fiq n ASN 1137Cb 0.46 -2.31 -0.11 0.00 -0.61 0.00 0.00 39.78 37.22 1fiq n ASN 1137CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1fiq s LEU 1138N -3.11 2.37 0.00 3.41 1.43 -1.26 -4.77 118.68 116.75 1fiq s LEU 1138Ca 0.27 -0.75 0.00 0.00 -1.03 0.00 0.00 54.13 52.61 1fiq s LEU 1138Cb -0.03 0.08 0.00 0.00 0.03 0.00 0.00 46.19 46.27 1fiq s LEU 1138CO 0.86 -0.42 0.00 0.61 0.23 0.00 0.00 176.35 177.63 1fiq n GLY 1139N 0.83 0.67 3.91 -3.19 0.00 0.34 -4.93 105.19 102.81 1fiq n GLY 1139Ca -0.19 0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.57 1fiq n GLY 1139CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1fiq s TYR 1140N 0.00 3.48 -0.07 1.61 5.04 -0.91 -4.09 117.35 122.41 1fiq s TYR 1140Ca 0.00 0.62 0.02 0.00 -2.44 0.00 0.00 57.07 55.27 1fiq s TYR 1140Cb 0.00 -2.09 0.01 0.00 0.35 0.00 0.00 41.96 40.23 1fiq s TYR 1140CO 0.00 0.15 -0.12 0.45 -1.34 0.00 0.00 175.55 174.70 1fiq s SER 1141N -3.26 1.82 0.16 4.32 0.15 -0.63 -4.99 113.70 111.26 1fiq s SER 1141Ca 0.44 -0.30 0.21 0.00 0.70 0.00 0.00 55.95 57.00 1fiq s SER 1141Cb -0.11 -0.83 0.87 0.00 -1.71 0.00 0.00 66.02 64.24 1fiq s SER 1141CO 0.31 0.02 1.65 0.49 1.20 0.00 0.00 173.24 176.91 1fiq n PHE 1142N 3.92 0.53 -4.35 3.44 3.01 -1.26 -1.86 117.46 120.88 1fiq n PHE 1142Ca -0.22 0.20 -0.34 0.00 1.01 0.00 0.00 57.45 58.10 1fiq n PHE 1142Cb 0.52 -0.82 -0.14 0.00 -0.01 0.00 0.00 39.48 39.02 1fiq n PHE 1142CO 0.00 0.00 0.00 -1.83 1.01 0.00 0.00 176.76 175.94 1fiq s GLU 1143N -3.18 3.39 0.00 -1.08 -1.05 -1.26 -4.27 118.70 111.25 1fiq s GLU 1143Ca 0.06 -0.65 0.00 0.00 -0.15 0.00 0.00 54.97 54.23 1fiq s GLU 1143Cb 0.10 -2.81 0.00 0.00 -0.44 0.00 0.00 34.13 30.98 1fiq s GLU 1143CO 0.38 0.03 0.00 0.25 0.95 0.00 0.00 175.26 176.87 1fiq n THR 1144N 4.09 0.00 -3.63 1.83 -2.24 -1.26 -4.64 114.28 108.43 1fiq n THR 1144Ca -0.18 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.48 1fiq n THR 1144Cb 0.52 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 1fiq n THR 1144CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1fiq n ASN 1145N 0.00 -1.12 -3.78 3.42 5.15 -0.78 -4.86 115.26 113.29 1fiq n ASN 1145Ca 0.00 -0.33 -0.10 0.00 -0.60 0.00 0.00 54.58 53.55 1fiq n ASN 1145Cb 0.00 -0.42 -0.05 0.00 -0.53 0.00 0.00 39.78 38.78 1fiq n ASN 1145CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1fiq s SER 1146N -4.14 -0.18 0.00 1.20 1.04 -1.22 -4.57 113.70 105.83 1fiq s SER 1146Ca 0.11 -0.56 0.00 0.00 0.48 0.00 0.00 55.95 55.98 1fiq s SER 1146Cb -0.06 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.59 1fiq s SER 1146CO 0.26 -0.99 0.00 0.61 0.98 0.00 0.00 173.24 174.10 1fiq n GLY 1147N -0.29 -0.04 3.51 7.32 0.00 -1.26 -1.61 105.19 112.82 1fiq n GLY 1147Ca -0.10 -1.21 -0.54 0.00 0.00 0.00 0.00 46.02 44.17 1fiq n GLY 1147CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1fiq n ASN 1148N -0.13 0.31 -0.03 1.61 3.02 -1.26 -3.43 115.26 115.34 1fiq n ASN 1148Ca 0.00 1.14 0.01 0.00 -0.03 0.00 0.00 54.58 55.71 1fiq n ASN 1148Cb 0.00 -1.03 -0.12 0.00 -0.61 0.00 0.00 39.78 38.02 1fiq n ASN 1148CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1fiq n ALA 1149N 1.35 2.17 -2.29 5.41 0.00 -1.26 -0.50 120.51 125.38 1fiq n ALA 1149Ca 0.18 -0.62 -0.16 0.00 0.00 0.00 0.00 53.44 52.84 1fiq n ALA 1149Cb 0.17 -0.32 -0.10 0.00 0.00 0.00 0.00 19.45 19.19 1fiq n ALA 1149CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1fiq s PHE 1150N -2.76 1.42 -0.24 0.00 0.40 -1.26 -4.70 117.98 110.84 1fiq s PHE 1150Ca -0.06 -1.01 0.22 0.00 -0.60 0.00 0.00 56.93 55.47 1fiq s PHE 1150Cb 0.07 -0.82 0.02 0.00 0.51 0.00 0.00 43.02 42.80 1fiq s PHE 1150CO 0.62 -0.17 1.08 1.25 0.70 0.00 0.00 175.22 178.70 1fiq h HIS 1151N 2.54 0.00 0.00 0.36 2.76 -1.72 -3.49 115.15 115.60 1fiq h HIS 1151Ca -0.38 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.79 1fiq h HIS 1151Cb 1.22 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.18 1fiq h HIS 1151CO 0.54 0.06 0.00 2.48 -1.30 0.00 0.00 177.93 179.71 1fiq n TYR 1152N -2.74 0.00 -4.17 5.26 0.18 -1.26 -4.97 117.16 109.46 1fiq n TYR 1152Ca -0.01 0.00 -0.15 0.00 1.88 0.00 0.00 57.90 59.62 1fiq n TYR 1152Cb 0.58 0.00 -0.11 0.00 -0.38 0.00 0.00 39.34 39.43 1fiq n TYR 1152CO 0.00 0.00 0.00 -0.06 -2.08 0.00 0.00 176.86 174.72 1fiq s PHE 1153N -2.65 1.09 -0.12 -3.48 0.40 -1.26 -1.45 117.98 110.51 1fiq s PHE 1153Ca 0.00 -0.59 -0.02 0.00 -0.60 0.00 0.00 56.93 55.72 1fiq s PHE 1153Cb 0.00 -0.60 -0.03 0.00 0.51 0.00 0.00 43.02 42.90 1fiq s PHE 1153CO 0.00 0.02 -0.05 0.99 0.70 0.00 0.00 175.22 176.88 1fiq s THR 1154N -2.10 3.83 0.14 0.64 2.01 -0.62 -4.92 115.64 114.62 1fiq s THR 1154Ca 0.03 -0.40 0.10 0.00 0.31 0.00 0.00 61.69 61.73 1fiq s THR 1154Cb -0.05 -2.63 -0.04 0.00 0.01 0.00 0.00 72.50 69.79 1fiq s THR 1154CO 0.01 0.54 -0.24 -0.31 -0.69 0.00 0.00 174.62 173.93 1fiq s TYR 1155N -0.19 2.15 0.24 4.92 1.51 -1.25 -1.22 117.35 123.51 1fiq s TYR 1155Ca 0.03 -0.39 -0.18 0.00 -1.01 0.00 0.00 57.07 55.52 1fiq s TYR 1155Cb -0.13 -1.14 0.02 0.00 -0.11 0.00 0.00 41.96 40.60 1fiq s TYR 1155CO 0.03 0.34 0.59 0.20 -1.11 0.00 0.00 175.55 175.60 1fiq s GLY 1156N -2.18 0.05 -0.18 0.71 0.00 -0.97 0.50 107.32 105.25 1fiq s GLY 1156Ca 0.14 -0.40 -0.10 0.00 0.00 0.00 0.00 44.72 44.36 1fiq s GLY 1156CO 0.06 -0.27 0.43 0.14 0.00 0.00 0.00 173.10 173.46 1fiq s VAL 1157N -3.92 -0.07 0.05 1.40 1.01 -0.25 -1.47 120.40 117.15 1fiq s VAL 1157Ca 0.13 0.09 0.07 0.00 0.00 0.00 0.00 61.98 62.28 1fiq s VAL 1157Cb -0.03 -0.64 -0.03 0.00 0.00 0.00 0.00 36.38 35.68 1fiq s VAL 1157CO 0.04 0.04 -0.20 0.00 0.00 0.00 0.00 175.10 174.97 1fiq s ALA 1158N 1.51 1.73 -0.12 5.51 0.00 -0.22 -1.49 121.76 128.67 1fiq s ALA 1158Ca -0.09 -1.08 0.02 0.00 0.00 0.00 0.00 51.96 50.82 1fiq s ALA 1158Cb -0.08 -0.31 0.01 0.00 0.00 0.00 0.00 23.12 22.73 1fiq s ALA 1158CO -0.13 0.38 -0.20 0.00 0.00 0.00 0.00 175.76 175.81 1fiq s SER 1160N 0.83 0.97 -0.05 0.00 0.01 -0.69 -0.59 113.70 114.18 1fiq s SER 1160Ca -0.08 -0.15 0.04 0.00 1.31 0.00 0.00 55.95 57.07 1fiq s SER 1160Cb -0.16 -0.23 -0.02 0.00 0.21 0.00 0.00 66.02 65.82 1fiq s SER 1160CO -0.01 0.05 -0.17 -0.70 0.41 0.00 0.00 173.24 172.83 1fiq s GLU 1161N 0.15 2.54 0.34 12.44 2.12 -0.19 -2.56 118.70 133.53 1fiq s GLU 1161Ca -0.02 -0.74 0.03 0.00 0.36 0.00 0.00 54.97 54.60 1fiq s GLU 1161Cb -0.07 -2.34 -0.04 0.00 0.26 0.00 0.00 34.13 31.94 1fiq s GLU 1161CO 0.00 0.56 0.12 0.14 -0.54 0.00 0.00 175.26 175.54 1fiq s VAL 1162N -0.57 0.63 -0.24 3.70 -7.23 -0.82 -1.90 120.40 113.97 1fiq s VAL 1162Ca 0.08 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.22 1fiq s VAL 1162Cb -0.11 -2.53 0.11 0.00 0.56 0.00 0.00 36.38 34.40 1fiq s VAL 1162CO 0.01 0.00 0.24 -0.70 -0.31 0.00 0.00 175.10 174.34 1fiq s GLU 1163N -3.82 0.24 0.72 4.82 2.12 -0.83 -1.87 118.70 120.08 1fiq s GLU 1163Ca 0.32 0.05 -0.07 0.00 0.36 0.00 0.00 54.97 55.63 1fiq s GLU 1163Cb 0.05 -1.00 0.07 0.00 0.26 0.00 0.00 34.13 33.52 1fiq s GLU 1163CO 0.16 -0.81 1.03 0.96 -0.54 0.00 0.00 175.26 176.06 1fiq s ILE 1164N 2.33 2.25 -0.28 -3.70 -4.36 0.02 -1.04 121.20 116.41 1fiq s ILE 1164Ca 0.08 -0.27 0.02 0.00 -0.26 0.00 0.00 60.65 60.22 1fiq s ILE 1164Cb -0.15 -2.98 0.08 0.00 1.25 0.00 0.00 42.46 40.66 1fiq s ILE 1164CO -0.21 0.00 -0.01 -0.62 0.24 0.00 0.00 174.94 174.34 1fiq s ASP 1165N -4.55 4.28 0.14 4.36 -1.08 0.74 -3.36 116.67 117.21 1fiq s ASP 1165Ca 0.61 -1.59 0.14 0.00 -0.52 0.00 0.00 52.55 51.19 1fiq s ASP 1165Cb -0.10 -1.35 0.67 0.00 -1.46 0.00 0.00 42.92 40.68 1fiq s ASP 1165CO 0.45 -0.30 1.44 0.00 0.52 0.00 0.00 175.17 177.28 1fiq n LEU 1167N -1.86 0.32 -0.01 0.00 4.77 -1.26 -4.65 117.00 114.31 1fiq n LEU 1167Ca 0.01 0.15 0.02 0.00 -0.03 0.00 0.00 56.01 56.15 1fiq n LEU 1167Cb 0.10 0.30 -0.06 0.00 -2.33 0.00 0.00 43.42 41.43 1fiq n LEU 1167CO 0.10 0.36 -0.64 0.35 -1.33 0.00 0.00 177.39 176.23 1fiq n THR 1168N -2.78 0.15 -0.14 -5.08 -2.24 -1.09 -5.01 114.28 98.10 1fiq n THR 1168Ca -0.22 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 1fiq n THR 1168Cb 1.02 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.23 1fiq n THR 1168CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fiq n GLY 1169N 2.21 0.95 3.90 3.38 0.00 0.06 -4.78 105.19 110.91 1fiq n GLY 1169Ca -0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 1fiq n GLY 1169CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1fiq s ASP 1170N -2.84 5.54 0.27 1.61 2.15 -1.25 -4.13 116.67 118.01 1fiq s ASP 1170Ca 0.00 0.87 -0.17 0.00 0.43 0.00 0.00 52.55 53.68 1fiq s ASP 1170Cb 0.00 -1.79 0.01 0.00 -0.30 0.00 0.00 42.92 40.84 1fiq s ASP 1170CO 0.00 -1.16 0.60 -1.38 -0.17 0.00 0.00 175.17 173.06 1fiq s HIS 1171N -3.13 0.10 0.17 -5.34 -3.43 -1.26 -0.18 115.29 102.22 1fiq s HIS 1171Ca 0.55 -0.51 0.11 0.00 -0.80 0.00 0.00 55.06 54.42 1fiq s HIS 1171Cb -0.11 0.45 -0.04 0.00 -1.43 0.00 0.00 32.58 31.45 1fiq s HIS 1171CO 0.48 -1.13 -0.25 0.15 -2.00 0.00 0.00 174.74 171.99 1fiq s LYS 1172N -3.93 1.49 -0.73 -0.38 1.02 -0.20 -4.96 119.74 112.05 1fiq s LYS 1172Ca 0.17 -1.46 -0.07 0.00 0.02 0.00 0.00 55.97 54.63 1fiq s LYS 1172Cb -0.03 -1.87 0.19 0.00 -0.52 0.00 0.00 37.83 35.59 1fiq s LYS 1172CO 0.08 0.42 0.59 -0.80 -0.92 0.00 0.00 175.35 174.72 1fiq s ASN 1173N -2.46 5.85 0.08 2.83 0.01 -1.26 -1.97 114.94 118.01 1fiq s ASN 1173Ca 0.18 -2.89 -0.32 0.00 -0.71 0.00 0.00 52.86 49.12 1fiq s ASN 1173Cb -0.09 -1.99 -0.17 0.00 0.41 0.00 0.00 41.25 39.42 1fiq s ASN 1173CO 0.09 -0.42 1.63 -0.07 -1.51 0.00 0.00 177.10 176.81 1fiq h LEU 1174N 7.18 -0.80 -7.54 0.60 3.38 -1.71 -1.29 115.31 115.13 1fiq h LEU 1174Ca 0.05 0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 1fiq h LEU 1174Cb 0.97 0.23 -0.15 0.00 0.09 0.00 0.00 40.66 41.80 1fiq h LEU 1174CO 0.74 -0.51 -0.20 -0.60 0.09 0.00 0.00 178.44 177.96 1fiq s ARG 1175N -6.05 0.91 -0.21 1.13 3.52 -1.16 -1.66 118.95 115.43 1fiq s ARG 1175Ca -0.17 -0.66 -0.10 0.00 -0.13 0.00 0.00 55.73 54.67 1fiq s ARG 1175Cb 0.04 0.39 0.08 0.00 -1.56 0.00 0.00 34.95 33.90 1fiq s ARG 1175CO 0.63 -0.32 0.50 0.99 -0.81 0.00 0.00 175.30 176.28 1fiq s THR 1176N -3.24 -0.23 -0.18 4.11 2.01 0.72 -1.02 115.64 117.81 1fiq s THR 1176Ca -0.00 0.08 0.01 0.00 0.31 0.00 0.00 61.69 62.09 1fiq s THR 1176Cb 0.01 -0.74 0.02 0.00 0.01 0.00 0.00 72.50 71.80 1fiq s THR 1176CO -0.08 0.03 -0.20 -1.81 -0.69 0.00 0.00 174.62 171.88 1fiq s ASP 1177N 1.83 3.15 -0.05 3.53 1.01 0.25 -1.61 116.67 124.79 1fiq s ASP 1177Ca -0.08 -0.64 0.06 0.00 0.71 0.00 0.00 52.55 52.60 1fiq s ASP 1177Cb -0.09 -1.48 -0.02 0.00 1.01 0.00 0.00 42.92 42.34 1fiq s ASP 1177CO -0.15 0.01 -0.21 -0.63 0.21 0.00 0.00 175.17 174.40 1fiq s ILE 1178N 1.23 2.45 -0.21 0.77 1.01 -0.24 -0.72 121.20 125.48 1fiq s ILE 1178Ca 0.04 -0.94 -0.01 0.00 0.00 0.00 0.00 60.65 59.73 1fiq s ILE 1178Cb -0.13 -1.91 0.06 0.00 0.01 0.00 0.00 42.46 40.49 1fiq s ILE 1178CO -0.11 0.58 0.00 -0.69 0.00 0.00 0.00 174.94 174.71 1fiq s VAL 1179N -0.47 0.95 0.06 2.92 1.01 -0.56 -0.26 120.40 124.06 1fiq s VAL 1179Ca 0.06 -0.86 0.04 0.00 0.00 0.00 0.00 61.98 61.22 1fiq s VAL 1179Cb -0.12 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 1fiq s VAL 1179CO 0.01 -0.18 -0.03 -0.04 0.00 0.00 0.00 175.10 174.86 1fiq s MET 1180N 1.66 2.51 -0.64 2.72 -1.94 -0.51 -1.09 119.30 122.01 1fiq s MET 1180Ca -0.03 -0.81 -0.09 0.00 -1.71 0.00 0.00 55.69 53.06 1fiq s MET 1180Cb -0.18 -2.51 0.17 0.00 2.01 0.00 0.00 34.83 34.32 1fiq s MET 1180CO -0.08 0.56 0.51 0.34 -0.01 0.00 0.00 175.02 176.35 1fiq s ASP 1181N -1.97 5.88 -0.19 3.03 2.15 0.18 -0.10 116.67 125.65 1fiq s ASP 1181Ca 0.22 -2.48 0.16 0.00 0.43 0.00 0.00 52.55 50.87 1fiq s ASP 1181Cb -0.11 -2.02 0.66 0.00 -0.30 0.00 0.00 42.92 41.14 1fiq s ASP 1181CO 0.14 -0.55 1.57 1.33 -0.17 0.00 0.00 175.17 177.49 1fiq n VAL 1182N 4.13 2.41 -4.95 1.11 0.24 -1.26 -3.95 118.33 116.06 1fiq n VAL 1182Ca 0.04 -1.61 0.00 0.00 -2.04 0.00 0.00 64.34 60.73 1fiq n VAL 1182Cb 0.42 -0.21 0.00 0.00 -1.47 0.00 0.00 33.84 32.58 1fiq n VAL 1182CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1fiq n GLY 1183N 0.11 1.20 3.49 7.63 0.00 -1.26 -2.54 105.19 113.82 1fiq n GLY 1183Ca 0.24 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 1fiq n GLY 1183CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1fiq s SER 1184N -4.00 6.19 0.30 1.61 0.01 0.07 -4.79 113.70 113.10 1fiq s SER 1184Ca 0.00 -0.74 -0.30 0.00 1.31 0.00 0.00 55.95 56.22 1fiq s SER 1184Cb 0.00 -2.46 -0.12 0.00 0.21 0.00 0.00 66.02 63.65 1fiq s SER 1184CO 0.00 -1.53 1.59 -0.24 0.41 0.00 0.00 173.24 173.47 1fiq n SER 1185N 8.17 3.88 0.08 2.44 2.88 -1.25 -3.51 113.62 126.31 1fiq n SER 1185Ca -0.01 1.15 -0.05 0.00 -1.33 0.00 0.00 58.87 58.63 1fiq n SER 1185Cb 0.47 -1.60 0.13 0.00 -0.75 0.00 0.00 64.21 62.45 1fiq n SER 1185CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1fiq h LEU 1186N 4.66 0.28 -6.39 2.46 3.38 -1.92 -3.25 115.31 114.53 1fiq h LEU 1186Ca -0.47 -0.16 -0.21 0.00 0.09 0.00 0.00 57.88 57.13 1fiq h LEU 1186Cb 1.22 -0.08 -0.30 0.00 0.09 0.00 0.00 40.66 41.59 1fiq h LEU 1186CO 0.78 0.81 -0.54 0.21 0.09 0.00 0.00 178.44 179.78 1fiq s ASN 1187N -6.90 0.62 0.49 -0.43 3.84 -1.26 0.12 114.94 111.42 1fiq s ASN 1187Ca -0.04 -0.31 0.24 0.00 0.21 0.00 0.00 52.86 52.96 1fiq s ASN 1187Cb 0.12 0.98 1.25 0.00 -0.55 0.00 0.00 41.25 43.05 1fiq s ASN 1187CO 0.80 -0.35 2.00 1.55 -2.79 0.00 0.00 177.10 178.31 1fiq h PRO 1188N 8.19 0.00 -0.17 0.43 0.13 -1.80 -1.45 132.00 137.33 1fiq h PRO 1188Ca -0.12 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.90 1fiq h PRO 1188Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1fiq h PRO 1188CO 0.28 0.17 -0.32 0.00 -0.23 0.00 0.00 178.00 177.90 1fiq h ALA 1189N 1.83 0.27 -0.50 -0.56 0.00 -1.88 -1.50 119.26 116.92 1fiq h ALA 1189Ca -0.00 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.43 1fiq h ALA 1189Cb 0.43 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1fiq h ALA 1189CO 0.02 0.31 0.07 0.82 0.00 0.00 0.00 179.25 180.47 1fiq h ILE 1190N 0.16 1.25 -0.27 0.00 1.08 -1.80 -2.35 117.51 115.58 1fiq h ILE 1190Ca 0.01 -0.94 -0.11 0.00 -0.39 0.00 0.00 64.86 63.43 1fiq h ILE 1190Cb 0.91 0.90 -0.01 0.00 -3.07 0.00 0.00 36.82 35.55 1fiq h ILE 1190CO 0.07 0.34 -0.28 0.44 -0.69 0.00 0.00 178.15 178.03 1fiq h ASP 1191N 0.70 0.55 -0.30 1.72 3.32 -1.26 -1.30 116.42 119.86 1fiq h ASP 1191Ca 0.15 -0.20 -0.14 0.00 0.02 0.00 0.00 57.03 56.86 1fiq h ASP 1191Cb 0.41 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 1fiq h ASP 1191CO 0.01 0.82 -0.31 0.40 -1.72 0.00 0.00 179.24 178.44 1fiq h ILE 1192N 0.47 1.28 -0.53 0.35 2.04 -1.23 -1.90 117.51 118.00 1fiq h ILE 1192Ca 0.06 -1.46 -0.02 0.00 1.00 0.00 0.00 64.86 64.44 1fiq h ILE 1192Cb 0.73 1.32 -0.03 0.00 -0.74 0.00 0.00 36.82 38.11 1fiq h ILE 1192CO 0.06 0.49 0.24 1.23 0.00 0.00 0.00 178.15 180.17 1fiq h GLY 1193N 0.92 0.80 1.04 5.37 0.00 -0.99 -0.20 103.07 110.01 1fiq h GLY 1193Ca 0.08 -0.37 -0.13 0.00 0.00 0.00 0.00 47.33 46.91 1fiq h GLY 1193CO 0.07 0.36 -0.26 1.46 0.00 0.00 0.00 176.54 178.17 1fiq h GLN 1194N 0.75 0.84 0.08 4.80 1.08 -0.96 -1.27 115.11 120.43 1fiq h GLN 1194Ca 0.19 -0.40 -0.00 0.00 -1.45 0.00 0.00 58.65 56.98 1fiq h GLN 1194Cb 0.10 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.52 1fiq h GLN 1194CO -0.02 1.04 -0.04 0.28 -0.95 0.00 0.00 178.83 179.14 1fiq h VAL 1195N 0.65 0.92 0.32 -0.54 2.07 -0.73 0.16 116.25 119.10 1fiq h VAL 1195Ca 0.07 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.56 1fiq h VAL 1195Cb 0.83 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 1fiq h VAL 1195CO 0.07 0.00 -0.15 -0.33 0.02 0.00 0.00 177.57 177.18 1fiq h GLU 1196N -0.12 -0.42 -0.19 1.57 5.08 -1.02 -0.29 114.58 119.19 1fiq h GLU 1196Ca -0.01 0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 1fiq h GLU 1196Cb 0.09 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1fiq h GLU 1196CO 0.02 -0.27 -0.13 0.78 -1.00 0.00 0.00 179.01 178.41 1fiq h GLY 1197N -0.45 0.34 0.58 -3.84 0.00 -1.19 0.27 103.07 98.79 1fiq h GLY 1197Ca -0.04 -0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.07 1fiq h GLY 1197CO 0.07 0.20 -0.03 0.00 0.00 0.00 0.00 176.54 176.78 1fiq h ALA 1198N 1.57 -0.10 -1.00 3.60 0.00 -0.55 -2.36 119.26 120.43 1fiq h ALA 1198Ca 0.06 -0.20 0.16 0.00 0.00 0.00 0.00 54.91 54.92 1fiq h ALA 1198Cb 0.42 0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.15 1fiq h ALA 1198CO 0.02 -0.35 0.61 0.35 0.00 0.00 0.00 179.25 179.89 1fiq h PHE 1199N -0.51 1.09 -0.29 0.00 3.57 -0.69 -0.33 116.94 119.77 1fiq h PHE 1199Ca -0.01 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.38 1fiq h PHE 1199Cb 0.44 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 1fiq h PHE 1199CO 0.06 0.33 -0.41 0.28 -2.23 0.00 0.00 178.31 176.35 1fiq h VAL 1200N 0.87 1.29 -0.03 1.41 2.07 -0.86 0.16 116.25 121.16 1fiq h VAL 1200Ca 0.54 -1.59 -0.07 0.00 0.82 0.00 0.00 66.70 66.40 1fiq h VAL 1200Cb 0.70 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 1fiq h VAL 1200CO -0.33 0.51 -0.29 1.56 0.02 0.00 0.00 177.57 179.04 1fiq h GLN 1201N 0.58 0.06 0.26 1.57 4.20 -0.74 0.77 115.11 121.82 1fiq h GLN 1201Ca 0.05 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 1fiq h GLN 1201Cb 0.95 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.73 1fiq h GLN 1201CO 0.09 0.35 -0.13 0.78 -0.67 0.00 0.00 178.83 179.25 1fiq h GLY 1202N 0.94 -0.37 0.79 3.46 0.00 -0.36 0.49 103.07 108.02 1fiq h GLY 1202Ca 0.01 0.14 0.16 0.00 0.00 0.00 0.00 47.33 47.63 1fiq h GLY 1202CO 0.04 -0.13 0.45 -2.00 0.00 0.00 0.00 176.54 174.89 1fiq h LEU 1203N -0.75 0.18 0.30 3.11 5.85 -0.49 -0.02 115.31 123.48 1fiq h LEU 1203Ca -0.04 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 1fiq h LEU 1203Cb 0.50 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.51 1fiq h LEU 1203CO 0.06 0.09 -0.14 1.23 -0.34 0.00 0.00 178.44 179.34 1fiq h GLY 1204N 0.19 -0.42 0.33 3.75 0.00 -0.50 -1.56 103.07 104.86 1fiq h GLY 1204Ca 0.31 0.15 0.14 0.00 0.00 0.00 0.00 47.33 47.94 1fiq h GLY 1204CO -0.06 -0.15 0.53 -2.00 0.00 0.00 0.00 176.54 174.87 1fiq h LEU 1205N -0.81 0.72 0.00 3.11 5.85 0.41 0.54 115.31 125.14 1fiq h LEU 1205Ca -0.04 0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.69 1fiq h LEU 1205Cb 0.51 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 1fiq h LEU 1205CO 0.07 0.34 -0.82 -0.26 -0.34 0.00 0.00 178.44 177.43 1fiq h PHE 1206N 0.79 0.00 0.00 1.25 0.05 -1.09 -3.38 116.94 114.56 1fiq h PHE 1206Ca 0.49 0.00 0.00 0.00 3.82 0.00 0.00 57.97 62.28 1fiq h PHE 1206Cb 0.61 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.56 1fiq h PHE 1206CO -0.04 0.23 -0.04 0.25 -0.18 0.00 0.00 178.31 178.52 1fiq n THR 1207N -2.91 0.00 0.00 -1.55 -2.24 -0.59 0.02 114.28 107.01 1fiq n THR 1207Ca -0.01 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1fiq n THR 1207Cb 0.65 0.92 0.00 0.00 -2.10 0.00 0.00 70.33 69.79 1fiq n THR 1207CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1fiq n LEU 1208N -0.42 0.00 -4.66 3.22 4.32 0.01 -4.12 117.00 115.33 1fiq n LEU 1208Ca 0.00 0.00 -0.43 0.00 -0.02 0.00 0.00 56.01 55.56 1fiq n LEU 1208Cb 0.00 -0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 41.78 1fiq n LEU 1208CO 0.00 -0.16 1.16 -1.61 -1.22 0.00 0.00 177.39 175.56 1fiq s GLU 1209N -2.00 4.23 -0.05 3.23 2.02 -0.18 -4.55 118.70 121.40 1fiq s GLU 1209Ca 0.00 1.83 -0.01 0.00 0.02 0.00 0.00 54.97 56.82 1fiq s GLU 1209Cb 0.00 -3.80 0.03 0.00 0.10 0.00 0.00 34.13 30.46 1fiq s GLU 1209CO 0.00 -0.72 0.02 -2.00 0.02 0.00 0.00 175.26 172.57 1fiq s GLU 1210N 3.49 0.34 -0.08 1.61 2.12 -1.26 -4.64 118.70 120.28 1fiq s GLU 1210Ca 0.61 0.16 -0.12 0.00 0.36 0.00 0.00 54.97 55.98 1fiq s GLU 1210Cb -0.26 -0.70 -0.05 0.00 0.26 0.00 0.00 34.13 33.39 1fiq s GLU 1210CO 0.20 -0.25 0.29 -0.51 -0.54 0.00 0.00 175.26 174.45 1fiq s LEU 1211N 1.70 4.39 -0.04 2.70 1.43 -1.26 -4.78 118.68 122.82 1fiq s LEU 1211Ca 0.00 0.68 0.01 0.00 -1.03 0.00 0.00 54.13 53.79 1fiq s LEU 1211Cb -0.13 -2.35 0.02 0.00 0.03 0.00 0.00 46.19 43.76 1fiq s LEU 1211CO -0.03 0.30 -0.05 -2.28 0.23 0.00 0.00 176.35 174.52 1fiq s HIS 1212N -0.68 0.73 0.24 0.29 2.46 -1.26 -4.96 115.29 112.10 1fiq s HIS 1212Ca 0.19 -0.19 0.12 0.00 0.47 0.00 0.00 55.06 55.64 1fiq s HIS 1212Cb -0.14 -0.62 -0.05 0.00 -0.13 0.00 0.00 32.58 31.64 1fiq s HIS 1212CO 0.08 -0.16 -0.21 0.71 -2.47 0.00 0.00 174.74 172.69 1fiq s TYR 1213N 0.72 2.31 0.64 3.88 1.51 -1.26 0.35 117.35 125.50 1fiq s TYR 1213Ca -0.10 -0.34 -0.12 0.00 -1.01 0.00 0.00 57.07 55.51 1fiq s TYR 1213Cb -0.13 -1.07 -0.02 0.00 -0.11 0.00 0.00 41.96 40.62 1fiq s TYR 1213CO 0.00 0.61 1.04 -1.54 -1.11 0.00 0.00 175.55 174.55 1fiq s SER 1214N -3.10 5.91 0.57 2.29 1.04 0.13 -4.84 113.70 115.70 1fiq s SER 1214Ca 0.25 1.53 0.29 0.00 0.48 0.00 0.00 55.95 58.51 1fiq s SER 1214Cb -0.07 -2.49 1.46 0.00 0.10 0.00 0.00 66.02 65.03 1fiq s SER 1214CO 0.13 -1.09 1.89 -0.65 0.98 0.00 0.00 173.24 174.50 1fiq h PRO 1215N -0.33 0.00 0.00 4.02 0.11 -2.01 0.44 132.00 134.23 1fiq h PRO 1215Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1fiq h PRO 1215Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1fiq h PRO 1215CO 0.60 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.78 1fiq n GLU 1216N -3.91 0.80 -1.06 1.05 4.71 -1.26 -4.84 120.64 116.14 1fiq n GLU 1216Ca 0.12 0.00 -0.01 0.00 -0.01 0.00 0.00 57.16 57.26 1fiq n GLU 1216Cb 0.77 -1.17 -0.00 0.00 -1.01 0.00 0.00 31.44 30.03 1fiq n GLU 1216CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1fiq n GLY 1217N 0.40 0.47 3.41 0.62 0.00 0.15 -4.40 105.19 105.85 1fiq n GLY 1217Ca 0.06 -1.03 -0.40 0.00 0.00 0.00 0.00 46.02 44.66 1fiq n GLY 1217CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1fiq s SER 1218N -2.99 5.65 0.26 1.61 0.15 -1.21 -4.65 113.70 112.52 1fiq s SER 1218Ca 0.00 -0.74 -0.31 0.00 0.70 0.00 0.00 55.95 55.60 1fiq s SER 1218Cb 0.00 -2.02 -0.13 0.00 -1.71 0.00 0.00 66.02 62.17 1fiq s SER 1218CO 0.00 -0.29 1.46 -0.11 1.20 0.00 0.00 173.24 175.51 1fiq n LEU 1219N 4.99 3.52 -0.10 3.45 7.94 -1.26 0.17 117.00 135.72 1fiq n LEU 1219Ca -0.13 1.15 -0.12 0.00 -1.11 0.00 0.00 56.01 55.80 1fiq n LEU 1219Cb 0.48 -1.48 -0.12 0.00 0.53 0.00 0.00 43.42 42.82 1fiq n LEU 1219CO 0.35 -0.28 -1.15 1.41 -1.11 0.00 0.00 177.39 176.60 1fiq n HIS 1220N 1.91 0.00 -2.69 1.96 8.25 0.15 -4.80 115.22 120.01 1fiq n HIS 1220Ca 0.10 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.14 1fiq n HIS 1220Cb 0.33 -0.85 -0.02 0.00 1.12 0.00 0.00 29.99 30.57 1fiq n HIS 1220CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1fiq s THR 1221N -2.43 4.27 -0.44 1.59 -4.23 -1.21 -4.84 115.64 108.34 1fiq s THR 1221Ca -0.20 -1.44 0.04 0.00 -1.18 0.00 0.00 61.69 58.91 1fiq s THR 1221Cb 0.07 -5.02 0.43 0.00 1.34 0.00 0.00 72.50 69.31 1fiq s THR 1221CO 0.60 -1.84 1.30 0.54 -0.54 0.00 0.00 174.62 174.69 1fiq n ARG 1222N 7.90 3.38 0.00 3.99 1.74 -1.26 -4.80 116.66 127.60 1fiq n ARG 1222Ca 0.36 -4.20 0.00 0.00 -0.77 0.00 0.00 57.85 53.23 1fiq n ARG 1222Cb 0.48 -2.27 0.00 0.00 -1.02 0.00 0.00 32.46 29.66 1fiq n ARG 1222CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1fiq n GLY 1223N -0.60 0.97 0.22 -0.13 0.00 -1.26 -3.93 105.19 100.46 1fiq n GLY 1223Ca 0.44 -0.93 0.15 0.00 0.00 0.00 0.00 46.02 45.68 1fiq n GLY 1223CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1fiq h PRO 1224N 0.00 0.00 0.00 1.61 0.13 -1.97 -1.32 132.00 130.46 1fiq h PRO 1224Ca 0.00 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.94 1fiq h PRO 1224Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 1fiq h PRO 1224CO 0.00 0.00 -0.87 0.66 -0.23 0.00 0.00 178.00 177.56 1fiq h SER 1225N 0.00 0.21 -0.00 1.44 4.64 -2.01 -3.36 113.55 114.47 1fiq h SER 1225Ca 0.00 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 1fiq h SER 1225Cb 0.07 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1fiq h SER 1225CO 0.00 0.98 -0.16 0.35 -0.87 0.00 0.00 176.83 177.13 1fiq n THR 1226N -3.64 0.00 -3.89 2.95 -2.24 -0.95 -4.89 114.28 101.62 1fiq n THR 1226Ca -0.03 -0.42 -0.29 0.00 -2.27 0.00 0.00 64.05 61.04 1fiq n THR 1226Cb 0.80 1.06 -0.16 0.00 -2.10 0.00 0.00 70.33 69.93 1fiq n THR 1226CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1fiq s TYR 1227N -1.13 1.83 -0.41 4.78 5.04 -0.54 -4.83 117.35 122.09 1fiq s TYR 1227Ca 0.04 -1.23 -0.13 0.00 -2.44 0.00 0.00 57.07 53.32 1fiq s TYR 1227Cb 0.05 -1.36 0.04 0.00 0.35 0.00 0.00 41.96 41.04 1fiq s TYR 1227CO 0.17 -0.66 0.28 0.15 -1.34 0.00 0.00 175.55 174.16 1fiq s LYS 1228N 1.59 2.86 0.55 4.97 -0.14 -1.26 -4.26 119.74 124.04 1fiq s LYS 1228Ca -0.01 -1.18 -0.05 0.00 -1.36 0.00 0.00 55.97 53.37 1fiq s LYS 1228Cb -0.16 -3.89 -0.00 0.00 -1.68 0.00 0.00 37.83 32.09 1fiq s LYS 1228CO -0.07 -0.83 0.84 0.96 -0.76 0.00 0.00 175.35 175.49 1fiq s ILE 1229N 1.59 3.94 0.34 2.17 -4.36 -1.26 -3.45 121.20 120.17 1fiq s ILE 1229Ca 0.03 -0.05 -0.28 0.00 -0.26 0.00 0.00 60.65 60.09 1fiq s ILE 1229Cb -0.21 -3.53 -0.12 0.00 1.25 0.00 0.00 42.46 39.85 1fiq s ILE 1229CO 0.07 -0.51 1.30 -2.65 0.24 0.00 0.00 174.94 173.39 1fiq n PRO 1230N -2.43 2.14 -4.07 0.37 -0.02 -1.26 -5.02 135.00 124.71 1fiq n PRO 1230Ca 0.03 0.75 -0.27 0.00 -2.02 0.00 0.00 63.50 62.00 1fiq n PRO 1230Cb 0.57 -2.34 -0.04 0.00 -0.02 0.00 0.00 33.50 31.67 1fiq n PRO 1230CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1fiq s ALA 1231N -1.08 4.13 0.23 3.55 0.00 -1.26 -4.97 121.76 122.36 1fiq s ALA 1231Ca 0.56 -1.39 -0.10 0.00 0.00 0.00 0.00 51.96 51.03 1fiq s ALA 1231Cb -0.57 -0.53 0.33 0.00 0.00 0.00 0.00 23.12 22.35 1fiq s ALA 1231CO 0.62 -0.29 1.64 0.74 0.00 0.00 0.00 175.76 178.48 1fiq h PHE 1232N 1.05 -0.14 -0.00 0.00 -1.00 -2.00 0.16 116.94 115.01 1fiq h PHE 1232Ca -0.40 0.05 0.00 0.00 2.81 0.00 0.00 57.97 60.43 1fiq h PHE 1232Cb 1.29 0.17 0.00 0.00 3.61 0.00 0.00 35.95 41.02 1fiq h PHE 1232CO 0.94 -0.23 0.00 0.41 -1.61 0.00 0.00 178.31 177.82 1fiq n GLY 1233N -1.41 -0.99 0.09 -1.45 0.00 -1.26 -3.49 105.19 96.68 1fiq n GLY 1233Ca 0.10 -0.06 -0.05 0.00 0.00 0.00 0.00 46.02 46.02 1fiq n GLY 1233CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1fiq h SER 1234N 0.01 0.00 -4.10 1.61 0.02 -1.04 -3.48 113.55 106.57 1fiq h SER 1234Ca 0.00 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 60.44 1fiq h SER 1234Cb 0.00 0.00 0.08 0.00 0.14 0.00 0.00 62.40 62.63 1fiq h SER 1234CO 0.00 0.84 0.44 0.27 -1.14 0.00 0.00 176.83 177.24 1fiq s ILE 1235N -2.75 3.04 0.26 3.27 -4.36 -1.23 -4.75 121.20 114.69 1fiq s ILE 1235Ca -0.02 0.63 -0.31 0.00 -0.26 0.00 0.00 60.65 60.70 1fiq s ILE 1235Cb 0.09 -3.24 -0.12 0.00 1.25 0.00 0.00 42.46 40.44 1fiq s ILE 1235CO 0.81 -0.16 1.60 -0.81 0.24 0.00 0.00 174.94 176.63 1fiq n PRO 1236N -1.47 2.62 -0.23 0.37 -0.04 -1.25 -4.84 135.00 130.16 1fiq n PRO 1236Ca 0.12 0.94 0.03 0.00 -0.04 0.00 0.00 63.50 64.55 1fiq n PRO 1236Cb 0.51 -2.72 0.13 0.00 -0.04 0.00 0.00 33.50 31.37 1fiq n PRO 1236CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1fiq h THR 1237N 3.42 0.42 -3.51 0.52 2.02 -0.90 -3.24 112.91 111.63 1fiq h THR 1237Ca -0.46 -0.04 -0.71 0.00 0.77 0.00 0.00 66.41 65.97 1fiq h THR 1237Cb 1.23 0.30 -0.26 0.00 -1.74 0.00 0.00 68.15 67.67 1fiq h THR 1237CO 0.83 0.02 -0.49 -1.61 0.37 0.00 0.00 175.52 174.64 1fiq s GLU 1238N -6.13 2.72 -0.36 6.66 0.41 -0.67 -5.01 118.70 116.31 1fiq s GLU 1238Ca -0.13 -1.28 0.03 0.00 -0.41 0.00 0.00 54.97 53.18 1fiq s GLU 1238Cb 0.21 -3.76 0.11 0.00 -1.78 0.00 0.00 34.13 28.90 1fiq s GLU 1238CO 0.75 -0.84 0.09 0.12 -0.49 0.00 0.00 175.26 174.89 1fiq s PHE 1239N 1.49 3.30 -0.10 1.61 5.99 -1.23 -0.20 117.98 128.84 1fiq s PHE 1239Ca 0.02 -2.82 0.01 0.00 0.00 0.00 0.00 56.93 54.15 1fiq s PHE 1239Cb -0.21 -2.69 -0.02 0.00 0.00 0.00 0.00 43.02 40.10 1fiq s PHE 1239CO 0.04 -0.90 -0.13 1.03 -0.00 0.00 0.00 175.22 175.26 1fiq s ARG 1240N 0.83 3.10 -0.05 10.12 0.52 -0.63 -5.03 118.95 127.80 1fiq s ARG 1240Ca 0.12 -0.68 0.04 0.00 -0.52 0.00 0.00 55.73 54.69 1fiq s ARG 1240Cb -0.20 -2.56 -0.00 0.00 0.52 0.00 0.00 34.95 32.71 1fiq s ARG 1240CO -0.09 0.36 -0.18 0.08 0.02 0.00 0.00 175.30 175.49 1fiq s VAL 1241N -0.02 1.48 -0.02 3.52 1.01 -1.26 -1.08 120.40 124.02 1fiq s VAL 1241Ca -0.03 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.23 1fiq s VAL 1241Cb -0.14 -1.28 0.01 0.00 0.00 0.00 0.00 36.38 34.97 1fiq s VAL 1241CO 0.04 0.43 -0.07 -0.44 0.00 0.00 0.00 175.10 175.06 1fiq s SER 1242N 0.10 0.95 -0.25 3.32 0.01 0.64 -4.97 113.70 113.50 1fiq s SER 1242Ca -0.06 -0.14 -0.14 0.00 1.31 0.00 0.00 55.95 56.92 1fiq s SER 1242Cb -0.12 -0.27 -0.04 0.00 0.21 0.00 0.00 66.02 65.79 1fiq s SER 1242CO 0.03 0.03 0.33 -0.76 0.41 0.00 0.00 173.24 173.28 1fiq s LEU 1243N 0.30 4.08 0.23 2.44 1.43 -1.26 -1.42 118.68 124.47 1fiq s LEU 1243Ca -0.04 0.30 -0.29 0.00 -1.03 0.00 0.00 54.13 53.06 1fiq s LEU 1243Cb -0.08 -2.37 -0.16 0.00 0.03 0.00 0.00 46.19 43.61 1fiq s LEU 1243CO 0.00 -0.10 0.85 -0.11 0.23 0.00 0.00 176.35 177.21 1fiq n LEU 1244N 4.91 0.52 -4.85 1.79 7.94 0.86 -4.95 117.00 123.22 1fiq n LEU 1244Ca -0.10 1.15 -0.33 0.00 -1.11 0.00 0.00 56.01 55.62 1fiq n LEU 1244Cb 0.51 -1.13 -0.06 0.00 0.53 0.00 0.00 43.42 43.27 1fiq n LEU 1244CO 0.37 -2.01 -0.20 -0.13 -1.11 0.00 0.00 177.39 174.31 1fiq s ARG 1245N -1.11 3.28 -1.12 1.96 0.52 -1.26 -4.63 118.95 116.58 1fiq s ARG 1245Ca 0.64 -0.38 -0.05 0.00 -0.52 0.00 0.00 55.73 55.42 1fiq s ARG 1245Cb -0.83 -3.00 -0.04 0.00 0.52 0.00 0.00 34.95 31.60 1fiq s ARG 1245CO 0.57 0.67 0.91 -0.25 0.02 0.00 0.00 175.30 177.22 1fiq n ASP 1246N 1.15 -4.72 -2.69 0.23 8.00 -1.26 -4.97 116.55 112.28 1fiq n ASP 1246Ca -0.13 -0.73 -0.07 0.00 0.71 0.00 0.00 54.79 54.58 1fiq n ASP 1246Cb 0.53 -4.91 0.03 0.00 -0.02 0.00 0.00 41.12 36.76 1fiq n ASP 1246CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1fiq n PRO 1248N -0.18 0.63 -3.73 0.00 -0.02 -1.26 -4.16 135.00 126.27 1fiq n PRO 1248Ca 0.09 0.23 -0.37 0.00 -2.02 0.00 0.00 63.50 61.43 1fiq n PRO 1248Cb 0.81 -1.60 -0.11 0.00 -0.02 0.00 0.00 33.50 32.59 1fiq n PRO 1248CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1fiq s ASN 1249N -0.98 5.34 0.55 2.55 2.47 -1.00 -4.89 114.94 118.98 1fiq s ASN 1249Ca 0.64 -1.94 0.25 0.00 0.42 0.00 0.00 52.86 52.23 1fiq s ASN 1249Cb -0.56 -1.86 1.58 0.00 -1.45 0.00 0.00 41.25 38.95 1fiq s ASN 1249CO 0.57 -0.55 2.19 0.11 -3.72 0.00 0.00 177.10 175.70 1fiq h LYS 1250N 8.14 0.00 0.00 0.43 1.57 -1.90 -2.74 116.57 122.06 1fiq h LYS 1250Ca -0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1fiq h LYS 1250Cb 1.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.36 1fiq h LYS 1250CO 0.72 0.03 0.00 1.63 -0.57 0.00 0.00 179.45 181.26 1fiq n LYS 1251N -4.05 0.02 -4.05 3.15 4.76 -1.26 -4.85 118.16 111.88 1fiq n LYS 1251Ca -0.03 0.26 -0.09 0.00 -2.87 0.00 0.00 58.31 55.57 1fiq n LYS 1251Cb 0.11 -1.54 -0.11 0.00 -1.84 0.00 0.00 35.03 31.66 1fiq n LYS 1251CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1fiq s ALA 1252N -3.03 0.41 -0.07 7.82 0.00 -1.03 -5.06 121.76 120.80 1fiq s ALA 1252Ca 0.07 -0.88 -0.23 0.00 0.00 0.00 0.00 51.96 50.92 1fiq s ALA 1252Cb 0.10 0.17 -0.11 0.00 0.00 0.00 0.00 23.12 23.28 1fiq s ALA 1252CO 0.29 -0.20 0.65 1.51 0.00 0.00 0.00 175.76 178.01 1fiq n ILE 1253N 0.97 0.00 -2.21 0.00 0.13 -1.26 0.54 119.36 117.52 1fiq n ILE 1253Ca -0.20 0.00 -0.04 0.00 -1.10 0.00 0.00 62.75 61.41 1fiq n ILE 1253Cb 0.57 -0.07 -0.01 0.00 -0.84 0.00 0.00 39.64 39.30 1fiq n ILE 1253CO 0.00 0.00 0.00 -1.22 2.80 0.00 0.00 176.55 178.13 1fiq n TYR 1254N 1.15 -1.61 -2.45 9.51 0.53 -1.26 -0.62 117.16 122.41 1fiq n TYR 1254Ca 0.12 0.00 -0.14 0.00 -1.02 0.00 0.00 57.90 56.86 1fiq n TYR 1254Cb 0.02 -1.57 0.00 0.00 -1.03 0.00 0.00 39.34 36.77 1fiq n TYR 1254CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1fiq n ALA 1255N -2.04 -0.50 -1.99 -0.72 0.00 0.19 -4.76 120.51 110.69 1fiq n ALA 1255Ca -0.05 0.14 -0.24 0.00 0.00 0.00 0.00 53.44 53.29 1fiq n ALA 1255Cb 0.46 -2.05 0.13 0.00 0.00 0.00 0.00 19.45 17.98 1fiq n ALA 1255CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1fiq s SER 1256N -2.54 4.10 -0.04 0.00 1.04 0.21 -0.75 113.70 115.72 1fiq s SER 1256Ca 0.08 -0.41 -0.06 0.00 0.48 0.00 0.00 55.95 56.04 1fiq s SER 1256Cb -0.03 0.13 0.01 0.00 0.10 0.00 0.00 66.02 66.23 1fiq s SER 1256CO 0.09 -2.04 0.15 -0.54 0.98 0.00 0.00 173.24 171.88 1fiq s LYS 1257N -5.25 0.25 0.39 4.02 1.02 -1.05 -4.39 119.74 114.73 1fiq s LYS 1257Ca 0.68 0.07 -0.26 0.00 0.02 0.00 0.00 55.97 56.49 1fiq s LYS 1257Cb -0.04 0.11 -0.11 0.00 -0.52 0.00 0.00 37.83 37.27 1fiq s LYS 1257CO 0.46 -0.04 1.20 0.00 -0.92 0.00 0.00 175.35 176.04 1fiq n ALA 1258N 2.64 0.92 0.00 5.17 0.00 -1.26 -4.88 120.51 123.10 1fiq n ALA 1258Ca -0.15 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1fiq n ALA 1258Cb 0.58 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.83 1fiq n ALA 1258CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1fiq n VAL 1259N -0.10 0.00 -0.07 0.00 3.14 -1.26 -4.88 118.33 115.15 1fiq n VAL 1259Ca 0.07 -0.06 -0.07 0.00 -2.96 0.00 0.00 64.34 61.32 1fiq n VAL 1259Cb 0.38 0.86 -0.00 0.00 -1.06 0.00 0.00 33.84 34.01 1fiq n VAL 1259CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 1fiq h GLY 1260N 0.00 0.04 0.00 7.55 0.00 -1.90 -3.37 103.07 105.39 1fiq h GLY 1260Ca 0.00 0.22 -0.34 0.00 0.00 0.00 0.00 47.33 47.21 1fiq h GLY 1260CO 0.00 -0.18 -2.28 1.18 0.00 0.00 0.00 176.54 175.26 1fiq n GLU 1261N -5.34 0.76 -0.32 4.80 1.02 -1.26 -4.72 120.64 115.58 1fiq n GLU 1261Ca 0.00 0.08 0.21 0.00 -0.02 0.00 0.00 57.16 57.43 1fiq n GLU 1261Cb 0.25 -1.46 0.42 0.00 -0.02 0.00 0.00 31.44 30.63 1fiq n GLU 1261CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 1fiq h PRO 1262N 0.00 0.17 0.00 3.49 0.11 -1.90 -1.89 132.00 131.98 1fiq h PRO 1262Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1fiq h PRO 1262Cb 1.92 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.99 1fiq h PRO 1262CO -0.04 0.11 0.00 -2.30 -0.21 0.00 0.00 178.00 175.56 1fiq n PRO 1263N -5.22 0.20 0.15 1.05 -0.02 -1.26 -3.79 135.00 126.11 1fiq n PRO 1263Ca 0.29 0.37 0.05 0.00 -2.02 0.00 0.00 63.50 62.18 1fiq n PRO 1263Cb 0.93 -1.85 0.48 0.00 -0.02 0.00 0.00 33.50 33.04 1fiq n PRO 1263CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1fiq h LEU 1264N 0.00 0.19 -0.84 2.45 6.46 -1.54 -2.62 115.31 119.41 1fiq h LEU 1264Ca 0.00 -0.02 -0.12 0.00 -0.12 0.00 0.00 57.88 57.62 1fiq h LEU 1264Cb 0.45 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.32 1fiq h LEU 1264CO 0.00 0.24 -0.52 0.15 -0.62 0.00 0.00 178.44 177.69 1fiq h PHE 1265N 0.21 0.20 -0.01 1.25 3.57 -1.78 -2.70 116.94 117.69 1fiq h PHE 1265Ca 0.05 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1fiq h PHE 1265Cb 0.17 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 38.87 1fiq h PHE 1265CO 0.00 0.65 0.37 -0.07 -2.23 0.00 0.00 178.31 177.03 1fiq h LEU 1266N 0.13 0.00 -2.45 0.59 3.38 -1.71 0.61 115.31 115.86 1fiq h LEU 1266Ca 0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1fiq h LEU 1266Cb 0.96 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 1fiq h LEU 1266CO 0.08 0.00 0.10 1.23 0.09 0.00 0.00 178.44 179.94 1fiq h GLY 1267N 0.00 0.00 2.00 0.83 0.00 -1.62 0.31 103.07 104.59 1fiq h GLY 1267Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1fiq h GLY 1267CO -0.00 0.00 -0.06 0.00 0.00 0.00 0.00 176.54 176.48 1fiq h ALA 1268N 1.85 1.39 -0.16 3.60 0.00 0.02 -1.94 119.26 124.02 1fiq h ALA 1268Ca 0.03 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.93 1fiq h ALA 1268Cb 0.24 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1fiq h ALA 1268CO -0.00 0.08 0.21 0.66 0.00 0.00 0.00 179.25 180.20 1fiq h SER 1269N 0.00 0.00 0.11 0.00 4.64 -1.11 0.20 113.55 117.39 1fiq h SER 1269Ca -0.00 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.11 1fiq h SER 1269Cb 0.17 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.28 1fiq h SER 1269CO 0.01 0.00 -0.88 0.58 -0.87 0.00 0.00 176.83 175.67 1fiq h VAL 1270N 0.00 1.44 -0.31 0.95 2.07 -1.54 -2.88 116.25 115.97 1fiq h VAL 1270Ca 0.08 -2.41 0.05 0.00 0.82 0.00 0.00 66.70 65.24 1fiq h VAL 1270Cb 0.50 2.94 -0.04 0.00 -1.52 0.00 0.00 31.29 33.17 1fiq h VAL 1270CO -0.00 0.70 0.04 0.15 0.02 0.00 0.00 177.57 178.47 1fiq h PHE 1271N -0.15 0.06 0.00 1.57 3.57 -0.76 -1.39 116.94 119.83 1fiq h PHE 1271Ca -0.14 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.34 1fiq h PHE 1271Cb 1.64 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 40.39 1fiq h PHE 1271CO 0.17 -0.01 -0.19 0.74 -2.23 0.00 0.00 178.31 176.78 1fiq h PHE 1272N 0.14 0.00 -0.23 0.41 -1.00 -1.27 -1.94 116.94 113.06 1fiq h PHE 1272Ca 0.15 0.00 -0.15 0.00 2.81 0.00 0.00 57.97 60.78 1fiq h PHE 1272Cb 0.18 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.74 1fiq h PHE 1272CO -0.20 0.19 -0.43 0.00 -1.61 0.00 0.00 178.31 176.26 1fiq h ALA 1273N 1.81 0.36 -0.77 2.45 0.00 -1.24 -0.29 119.26 121.58 1fiq h ALA 1273Ca -0.00 -0.47 0.05 0.00 0.00 0.00 0.00 54.91 54.49 1fiq h ALA 1273Cb 0.84 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.52 1fiq h ALA 1273CO 0.03 0.49 0.47 0.82 0.00 0.00 0.00 179.25 181.06 1fiq h ILE 1274N 0.42 1.06 -0.15 0.00 2.04 -0.95 0.63 117.51 120.55 1fiq h ILE 1274Ca 0.01 -0.31 -0.09 0.00 1.00 0.00 0.00 64.86 65.48 1fiq h ILE 1274Cb 1.04 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 1fiq h ILE 1274CO 0.10 0.16 -0.28 0.50 0.00 0.00 0.00 178.15 178.63 1fiq h LYS 1275N 0.89 0.29 0.04 2.37 3.64 -1.17 -0.75 116.57 121.88 1fiq h LYS 1275Ca 0.32 -0.11 0.01 0.00 -1.27 0.00 0.00 60.65 59.60 1fiq h LYS 1275Cb 0.10 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1fiq h LYS 1275CO -0.14 0.56 -0.07 0.22 -2.27 0.00 0.00 179.45 177.75 1fiq h ASP 1276N 0.26 -0.18 -0.37 4.20 3.58 0.89 -1.83 116.42 122.97 1fiq h ASP 1276Ca 0.04 0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.48 1fiq h ASP 1276Cb 0.64 0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.75 1fiq h ASP 1276CO 0.05 -0.10 0.12 0.00 -2.88 0.00 0.00 179.24 176.42 1fiq h ALA 1277N 0.82 0.49 -0.93 -0.78 0.00 -0.74 -2.67 119.26 115.45 1fiq h ALA 1277Ca 0.01 -0.16 0.11 0.00 0.00 0.00 0.00 54.91 54.88 1fiq h ALA 1277Cb 0.15 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.72 1fiq h ALA 1277CO -0.04 0.13 0.60 0.82 0.00 0.00 0.00 179.25 180.75 1fiq h ILE 1278N 0.45 0.93 -0.53 0.00 2.04 -0.97 -0.41 117.51 119.03 1fiq h ILE 1278Ca 0.12 -0.31 -0.03 0.00 1.00 0.00 0.00 64.86 65.64 1fiq h ILE 1278Cb 0.25 -0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.27 1fiq h ILE 1278CO -0.00 0.16 0.21 -0.09 0.00 0.00 0.00 178.15 178.42 1fiq h ARG 1279N 0.89 0.79 0.00 2.37 2.43 -1.01 -0.31 114.38 119.54 1fiq h ARG 1279Ca 0.45 -0.15 -0.04 0.00 -0.81 0.00 0.00 59.98 59.44 1fiq h ARG 1279Cb 0.50 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 1fiq h ARG 1279CO -0.21 0.69 -0.17 0.00 -1.51 0.00 0.00 179.97 178.77 1fiq h ALA 1280N 1.05 1.27 0.00 2.80 0.00 -0.88 -1.08 119.26 122.42 1fiq h ALA 1280Ca 0.17 -0.15 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 1fiq h ALA 1280Cb 0.20 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1fiq h ALA 1280CO -0.01 0.21 -0.81 0.00 0.00 0.00 0.00 179.25 178.63 1fiq h ALA 1281N 1.83 0.53 0.24 0.00 0.00 -0.22 -2.94 119.26 118.70 1fiq h ALA 1281Ca -0.00 -0.74 -0.01 0.00 0.00 0.00 0.00 54.91 54.16 1fiq h ALA 1281Cb 0.44 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1fiq h ALA 1281CO 0.02 1.02 -0.12 0.00 0.00 0.00 0.00 179.25 180.17 1fiq h ARG 1282N 0.00 -0.31 -1.28 0.00 3.08 -0.11 -2.85 114.38 112.91 1fiq h ARG 1282Ca -0.01 0.02 0.37 0.00 0.07 0.00 0.00 59.98 60.43 1fiq h ARG 1282Cb 1.56 0.07 -0.07 0.00 0.08 0.00 0.00 29.97 31.62 1fiq h ARG 1282CO 0.11 -0.03 0.90 0.00 -1.07 0.00 0.00 179.97 179.87 1fiq h ALA 1283N -0.75 3.06 -3.00 0.04 0.00 -1.34 0.14 119.26 117.41 1fiq h ALA 1283Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1fiq h ALA 1283Cb 0.43 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1fiq h ALA 1283CO 0.05 -1.46 0.00 0.94 0.00 0.00 0.00 179.25 178.78 1fiq n GLN 1284N -4.26 0.00 0.00 0.00 -0.06 -1.11 -4.45 117.38 107.51 1fiq n GLN 1284Ca 0.29 0.00 0.15 0.00 -2.00 0.00 0.00 57.00 55.44 1fiq n GLN 1284Cb 1.31 -0.34 0.79 0.00 -4.06 0.00 0.00 30.24 27.94 1fiq n GLN 1284CO 0.00 0.00 0.00 0.72 -0.20 0.00 0.00 177.06 177.58 1fiq n HIS 1285N 0.00 0.00 -1.34 3.69 8.25 -1.08 -4.88 115.22 119.85 1fiq n HIS 1285Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1fiq n HIS 1285Cb 0.00 -0.19 0.00 0.00 1.12 0.00 0.00 29.99 30.92 1fiq n HIS 1285CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1fiq n THR 1286N -1.15 0.00 0.00 1.59 -2.24 0.48 -4.65 114.28 108.31 1fiq n THR 1286Ca 0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 1fiq n THR 1286Cb 0.21 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.42 1fiq n THR 1286CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1fiq n ASN 1287N 0.00 -0.17 -2.71 3.42 6.94 -1.26 -4.87 115.26 116.60 1fiq n ASN 1287Ca 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 54.58 54.50 1fiq n ASN 1287Cb 0.00 0.00 0.04 0.00 -2.36 0.00 0.00 39.78 37.46 1fiq n ASN 1287CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1fiq n ASN 1288N -0.26 1.77 -4.37 0.53 3.02 -1.26 -4.57 115.26 110.12 1fiq n ASN 1288Ca 0.00 -2.46 -0.45 0.00 -0.03 0.00 0.00 54.58 51.64 1fiq n ASN 1288Cb 0.00 -0.50 -0.05 0.00 -0.61 0.00 0.00 39.78 38.63 1fiq n ASN 1288CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1fiq s ASN 1289N -3.49 6.18 0.10 6.41 0.01 -1.26 -4.94 114.94 117.95 1fiq s ASN 1289Ca 0.29 -1.43 -0.26 0.00 -0.71 0.00 0.00 52.86 50.75 1fiq s ASN 1289Cb 0.39 -2.30 -0.12 0.00 0.41 0.00 0.00 41.25 39.63 1fiq s ASN 1289CO -0.01 -1.09 1.68 0.74 -1.51 0.00 0.00 177.10 176.91 1fiq h THR 1290N 5.92 0.68 -0.79 1.60 2.02 -1.99 -2.90 112.91 117.45 1fiq h THR 1290Ca -0.29 0.00 -0.45 0.00 0.77 0.00 0.00 66.41 66.44 1fiq h THR 1290Cb 1.09 0.68 -0.24 0.00 -1.74 0.00 0.00 68.15 67.94 1fiq h THR 1290CO 1.09 0.00 0.57 0.29 0.37 0.00 0.00 175.52 177.84 1fiq n LYS 1291N -5.27 2.09 -2.70 6.66 5.02 -1.26 -4.90 118.16 117.79 1fiq n LYS 1291Ca -0.07 -2.44 -0.32 0.00 -2.02 0.00 0.00 58.31 53.46 1fiq n LYS 1291Cb 0.18 -1.95 -0.05 0.00 -0.02 0.00 0.00 35.03 33.19 1fiq n LYS 1291CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1fiq s GLU 1292N -2.72 4.06 -0.25 1.97 2.12 -1.10 -4.59 118.70 118.19 1fiq s GLU 1292Ca 0.47 0.95 -0.00 0.00 0.36 0.00 0.00 54.97 56.75 1fiq s GLU 1292Cb 0.39 -2.21 0.07 0.00 0.26 0.00 0.00 34.13 32.64 1fiq s GLU 1292CO 0.06 -0.10 0.01 -0.51 -0.54 0.00 0.00 175.26 174.18 1fiq s LEU 1293N -3.54 2.36 -0.06 2.70 1.43 -1.26 -4.90 118.68 115.40 1fiq s LEU 1293Ca 0.59 -1.27 -0.04 0.00 -1.03 0.00 0.00 54.13 52.38 1fiq s LEU 1293Cb -0.10 -1.01 -0.04 0.00 0.03 0.00 0.00 46.19 45.07 1fiq s LEU 1293CO 0.22 -0.30 0.12 0.72 0.23 0.00 0.00 176.35 177.34 1fiq s PHE 1294N 1.51 3.47 -0.04 0.29 -0.12 -1.26 -5.08 117.98 116.75 1fiq s PHE 1294Ca -0.00 0.38 -0.24 0.00 -0.05 0.00 0.00 56.93 57.01 1fiq s PHE 1294Cb -0.18 -1.85 -0.04 0.00 -0.63 0.00 0.00 43.02 40.32 1fiq s PHE 1294CO -0.11 0.64 0.73 0.50 -0.05 0.00 0.00 175.22 176.93 1fiq s ARG 1295N -1.42 4.45 -0.24 1.99 3.52 -1.26 -5.04 118.95 120.95 1fiq s ARG 1295Ca 0.20 0.95 -0.02 0.00 -0.13 0.00 0.00 55.73 56.73 1fiq s ARG 1295Cb -0.12 -3.42 0.08 0.00 -1.56 0.00 0.00 34.95 29.92 1fiq s ARG 1295CO 0.10 0.12 0.06 -1.17 -0.81 0.00 0.00 175.30 173.60 1fiq s LEU 1296N 0.59 1.53 0.00 -0.88 2.96 -1.26 -5.11 118.68 116.50 1fiq s LEU 1296Ca 0.38 -1.14 -0.16 0.00 -0.22 0.00 0.00 54.13 52.99 1fiq s LEU 1296Cb -0.19 -0.69 0.22 0.00 0.50 0.00 0.00 46.19 46.04 1fiq s LEU 1296CO 0.20 -0.35 1.20 0.47 -1.32 0.00 0.00 176.35 176.55 1fiq n ASP 1297N 4.99 -0.21 -4.45 3.68 8.00 -1.26 -4.98 116.55 122.31 1fiq n ASP 1297Ca -0.07 -1.40 -0.31 0.00 0.71 0.00 0.00 54.79 53.72 1fiq n ASP 1297Cb 0.45 -0.94 -0.13 0.00 -0.02 0.00 0.00 41.12 40.48 1fiq n ASP 1297CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1fiq s SER 1298N -5.32 3.81 0.42 -2.24 0.15 -0.97 -3.85 113.70 105.71 1fiq s SER 1298Ca 0.69 -0.36 -0.21 0.00 0.70 0.00 0.00 55.95 56.76 1fiq s SER 1298Cb -0.02 -0.66 -0.11 0.00 -1.71 0.00 0.00 66.02 63.52 1fiq s SER 1298CO 0.49 0.28 0.95 -2.16 1.20 0.00 0.00 173.24 174.00 1fiq s PRO 1299N -1.18 4.25 -1.39 5.44 0.04 -1.26 -0.54 135.00 140.36 1fiq s PRO 1299Ca 0.13 1.13 -0.14 0.00 0.04 0.00 0.00 61.00 62.16 1fiq s PRO 1299Cb -0.10 -2.22 0.07 0.00 0.04 0.00 0.00 34.50 32.28 1fiq s PRO 1299CO 0.04 -0.01 2.03 0.00 0.04 0.00 0.00 177.00 179.10 1fiq n ALA 1300N -0.56 4.98 -1.35 8.56 0.00 0.10 -4.89 120.51 127.36 1fiq n ALA 1300Ca 0.07 -3.95 -0.29 0.00 0.00 0.00 0.00 53.44 49.26 1fiq n ALA 1300Cb 0.54 -3.45 0.14 0.00 0.00 0.00 0.00 19.45 16.67 1fiq n ALA 1300CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1fiq s THR 1301N 2.96 2.36 0.39 0.00 -4.23 -1.26 -4.69 115.64 111.17 1fiq s THR 1301Ca 0.47 0.12 0.15 0.00 -1.18 0.00 0.00 61.69 61.25 1fiq s THR 1301Cb 0.10 -2.73 0.36 0.00 1.34 0.00 0.00 72.50 71.58 1fiq s THR 1301CO -0.03 -0.15 1.83 -0.65 -0.54 0.00 0.00 174.62 175.07 1fiq h PRO 1302N -1.57 0.48 0.64 3.99 0.11 -1.84 -1.11 132.00 132.70 1fiq h PRO 1302Ca -0.51 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.54 1fiq h PRO 1302Cb 1.31 -0.11 0.01 0.00 0.11 0.00 0.00 31.00 32.32 1fiq h PRO 1302CO 0.58 0.32 -0.31 1.49 -0.21 0.00 0.00 178.00 179.87 1fiq h GLU 1303N 0.50 -0.83 -0.59 1.05 4.81 -1.88 -1.40 114.58 116.23 1fiq h GLU 1303Ca 0.51 0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.81 1fiq h GLU 1303Cb 1.14 0.19 -0.03 0.00 0.63 0.00 0.00 28.75 30.68 1fiq h GLU 1303CO -0.24 -0.53 0.39 0.87 -0.73 0.00 0.00 179.01 178.78 1fiq h LYS 1304N -0.96 0.75 0.13 1.92 1.57 -1.66 -0.37 116.57 117.95 1fiq h LYS 1304Ca -0.09 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 1fiq h LYS 1304Cb 0.69 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1fiq h LYS 1304CO 0.14 0.50 -0.06 0.82 -0.57 0.00 0.00 179.45 180.28 1fiq h ILE 1305N 0.77 1.04 0.33 1.86 2.04 -1.15 -2.40 117.51 120.00 1fiq h ILE 1305Ca 0.22 -0.79 -0.01 0.00 1.00 0.00 0.00 64.86 65.28 1fiq h ILE 1305Cb -0.04 1.52 -0.00 0.00 -0.74 0.00 0.00 36.82 37.56 1fiq h ILE 1305CO -0.05 0.18 -0.17 -0.09 0.00 0.00 0.00 178.15 178.02 1fiq h ARG 1306N -0.55 -0.45 0.00 2.37 9.65 -1.05 -1.30 114.38 123.04 1fiq h ARG 1306Ca -0.02 0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.89 1fiq h ARG 1306Cb 0.44 0.10 0.00 0.00 -1.39 0.00 0.00 29.97 29.12 1fiq h ARG 1306CO 0.03 -0.30 0.16 -0.91 2.80 0.00 0.00 179.97 181.75 1fiq h ASN 1307N -0.47 0.00 1.07 -3.80 2.35 -1.13 0.54 115.58 114.14 1fiq h ASN 1307Ca -0.04 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.60 1fiq h ASN 1307Cb 0.37 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.72 1fiq h ASN 1307CO 0.06 0.00 -0.99 0.00 -1.65 0.00 0.00 177.43 174.85 1fiq h ALA 1308N 1.66 0.65 -1.19 -0.83 0.00 -0.73 -3.39 119.26 115.43 1fiq h ALA 1308Ca 0.00 -0.54 -0.71 0.00 0.00 0.00 0.00 54.91 53.66 1fiq h ALA 1308Cb 0.32 0.11 -0.12 0.00 0.00 0.00 0.00 17.79 18.10 1fiq h ALA 1308CO 0.00 0.63 1.87 0.00 0.00 0.00 0.00 179.25 181.75 1fiq s VAL 1310N 2.99 3.25 0.00 0.00 1.01 -1.26 -4.84 120.40 121.55 1fiq s VAL 1310Ca 0.49 0.99 0.00 0.00 0.00 0.00 0.00 61.98 63.46 1fiq s VAL 1310Cb 0.01 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.76 1fiq s VAL 1310CO 0.04 0.13 0.00 -0.90 0.00 0.00 0.00 175.10 174.37 1fiq n ASP 1311N 2.98 0.00 -0.15 3.32 5.68 -1.26 -4.02 116.55 123.10 1fiq n ASP 1311Ca 0.07 -0.45 0.00 0.00 -0.50 0.00 0.00 54.79 53.91 1fiq n ASP 1311Cb 0.43 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.41 1fiq n ASP 1311CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1fiq n LYS 1312N 0.00 0.78 -0.01 0.11 2.85 -1.26 -3.19 118.16 117.44 1fiq n LYS 1312Ca 0.00 0.00 -0.02 0.00 -1.05 0.00 0.00 58.31 57.24 1fiq n LYS 1312Cb 0.00 -1.11 -0.01 0.00 -0.65 0.00 0.00 35.03 33.26 1fiq n LYS 1312CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 1fiq n PHE 1313N -0.32 0.00 1.39 5.58 3.01 -1.26 -4.56 117.46 121.30 1fiq n PHE 1313Ca 0.00 0.00 0.10 0.00 1.01 0.00 0.00 57.45 58.56 1fiq n PHE 1313Cb 0.06 -0.08 0.58 0.00 -0.01 0.00 0.00 39.48 40.02 1fiq n PHE 1313CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1fiq n THR 1314N -2.59 0.00 -0.83 4.37 -2.24 -1.19 -5.21 114.28 106.59 1fiq n THR 1314Ca -0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1fiq n THR 1314Cb 0.54 -0.59 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 1fiq n THR 1314CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85