#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nrz n THR 572 N 0.00 0.00 -1.81 5.18 -2.24 -1.26 -4.94 114.28 109.22 3nrz n THR 572 Ca 0.00 -0.41 -0.42 0.00 -2.27 0.00 0.00 64.05 60.95 3nrz n THR 572 Cb 0.00 1.41 -0.03 0.00 -2.10 0.00 0.00 70.33 69.61 3nrz n THR 572 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3nrz s VAL 573 N -2.18 2.85 0.00 2.28 1.01 -1.26 -0.50 120.40 122.59 3nrz s VAL 573 Ca 0.24 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.47 3nrz s VAL 573 Cb 0.19 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.41 3nrz s VAL 573 CO 0.41 -0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.11 3nrz n GLY 574 N 4.17 0.57 3.90 4.51 0.00 0.11 -5.02 105.19 113.43 3nrz n GLY 574 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 3nrz n GLY 574 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3nrz s ARG 575 N -0.82 3.53 -1.20 1.61 0.52 0.34 -4.56 118.95 118.37 3nrz s ARG 575 Ca 0.00 -0.19 -0.08 0.00 -0.52 0.00 0.00 55.73 54.93 3nrz s ARG 575 Cb 0.00 -3.05 -0.10 0.00 0.52 0.00 0.00 34.95 32.32 3nrz s ARG 575 CO 0.00 0.63 2.81 -0.35 0.02 0.00 0.00 175.30 178.41 3nrz n PRO 576 N 0.83 3.01 -2.00 3.54 -0.04 -1.26 -4.33 135.00 134.75 3nrz n PRO 576 Ca -0.09 -1.81 -0.42 0.00 -0.04 0.00 0.00 63.50 61.14 3nrz n PRO 576 Cb 0.52 -2.58 -0.03 0.00 -0.04 0.00 0.00 33.50 31.38 3nrz n PRO 576 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3nrz s LEU 577 N 0.12 4.36 0.59 1.53 2.96 -1.26 -4.80 118.68 122.18 3nrz s LEU 577 Ca 0.61 2.44 -0.20 0.00 -0.22 0.00 0.00 54.13 56.76 3nrz s LEU 577 Cb 0.18 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 43.26 3nrz s LEU 577 CO -0.04 -0.82 1.34 -2.84 -1.32 0.00 0.00 176.35 172.67 3nrz s PRO 578 N 2.10 2.88 -0.08 0.98 0.02 -1.26 -4.76 135.00 134.87 3nrz s PRO 578 Ca 0.70 2.19 -0.40 0.00 0.02 0.00 0.00 61.00 63.51 3nrz s PRO 578 Cb -0.39 -2.08 -0.19 0.00 0.02 0.00 0.00 34.50 31.86 3nrz s PRO 578 CO 0.31 -1.38 1.27 1.58 -0.33 0.00 0.00 177.00 178.44 3nrz n HIS 579 N -1.40 1.12 0.21 6.54 -0.00 -1.26 -4.84 115.22 115.59 3nrz n HIS 579 Ca 0.13 0.94 0.07 0.00 -0.00 0.00 0.00 57.72 58.86 3nrz n HIS 579 Cb 0.46 -2.19 0.59 0.00 -0.00 0.00 0.00 29.99 28.85 3nrz n HIS 579 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 3nrz h LEU 580 N 3.98 0.09 -1.07 0.27 3.38 -1.96 -1.47 115.31 118.53 3nrz h LEU 580 Ca -0.49 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 3nrz h LEU 580 Cb 1.39 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.12 3nrz h LEU 580 CO 0.75 0.08 -0.02 0.00 0.09 0.00 0.00 178.44 179.34 3nrz n ALA 581 N -2.53 2.59 -0.28 1.53 0.00 -1.26 -4.56 120.51 116.00 3nrz n ALA 581 Ca -0.02 -0.48 0.02 0.00 0.00 0.00 0.00 53.44 52.96 3nrz n ALA 581 Cb 0.10 -1.11 0.15 0.00 0.00 0.00 0.00 19.45 18.59 3nrz n ALA 581 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3nrz h ALA 582 N 4.36 1.13 -0.55 0.00 0.00 -1.62 -0.15 119.26 122.43 3nrz h ALA 582 Ca 0.00 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 3nrz h ALA 582 Cb 0.57 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3nrz h ALA 582 CO 0.00 0.10 0.05 0.00 0.00 0.00 0.00 179.25 179.40 3nrz h ALA 583 N 1.43 0.74 -0.03 0.00 0.00 -1.80 -0.44 119.26 119.16 3nrz h ALA 583 Ca 0.38 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 3nrz h ALA 583 Cb 0.32 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3nrz h ALA 583 CO -0.23 0.52 -0.43 0.52 0.00 0.00 0.00 179.25 179.63 3nrz h MET 584 N 0.83 0.06 -0.38 0.00 2.86 -1.72 -2.29 114.93 114.28 3nrz h MET 584 Ca 0.16 -0.03 -0.14 0.00 -2.06 0.00 0.00 59.70 57.63 3nrz h MET 584 Cb 0.47 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 3nrz h MET 584 CO 0.02 0.48 -0.33 1.96 1.06 0.00 0.00 176.91 180.10 3nrz h GLN 585 N 0.05 0.87 0.00 1.72 4.20 -0.64 0.12 115.11 121.43 3nrz h GLN 585 Ca 0.00 -0.42 -0.02 0.00 0.06 0.00 0.00 58.65 58.26 3nrz h GLN 585 Cb 0.79 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.56 3nrz h GLN 585 CO 0.06 1.07 -0.11 0.00 -0.67 0.00 0.00 178.83 179.17 3nrz h ALA 586 N 0.89 1.09 -0.06 3.87 0.00 -0.89 -3.04 119.26 121.11 3nrz h ALA 586 Ca 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3nrz h ALA 586 Cb 0.90 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3nrz h ALA 586 CO 0.08 0.14 0.00 -1.13 0.00 0.00 0.00 179.25 178.35 3nrz n SER 587 N -3.35 2.73 -0.46 0.00 3.41 -0.88 -4.95 113.62 110.12 3nrz n SER 587 Ca -0.01 -1.85 -0.06 0.00 -0.26 0.00 0.00 58.87 56.70 3nrz n SER 587 Cb 0.31 -0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.21 3nrz n SER 587 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3nrz n GLY 588 N 1.14 0.83 0.11 5.00 0.00 -0.82 -4.91 105.19 106.54 3nrz n GLY 588 Ca 0.12 -0.57 0.09 0.00 0.00 0.00 0.00 46.02 45.66 3nrz n GLY 588 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3nrz h GLU 589 N 0.13 0.00 -6.63 1.61 5.08 -1.07 -3.47 114.58 110.23 3nrz h GLU 589 Ca -0.12 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.72 3nrz h GLU 589 Cb 0.46 0.00 0.05 0.00 0.50 0.00 0.00 28.75 29.76 3nrz h GLU 589 CO 0.18 0.07 0.96 0.00 -1.00 0.00 0.00 179.01 179.22 3nrz s ALA 590 N -3.25 3.87 -0.24 3.43 0.00 -0.70 -4.97 121.76 119.90 3nrz s ALA 590 Ca -0.01 1.49 -0.15 0.00 0.00 0.00 0.00 51.96 53.29 3nrz s ALA 590 Cb 0.09 -3.67 -0.04 0.00 0.00 0.00 0.00 23.12 19.51 3nrz s ALA 590 CO 0.79 -0.87 0.36 0.08 0.00 0.00 0.00 175.76 176.12 3nrz s VAL 591 N 1.21 5.20 0.37 0.00 1.01 -1.26 -4.96 120.40 121.98 3nrz s VAL 591 Ca 0.73 0.59 0.07 0.00 0.00 0.00 0.00 61.98 63.37 3nrz s VAL 591 Cb -0.47 -3.69 -0.01 0.00 0.00 0.00 0.00 36.38 32.21 3nrz s VAL 591 CO 0.32 0.22 0.45 -0.31 0.00 0.00 0.00 175.10 175.77 3nrz s TYR 592 N 1.65 2.92 0.19 5.22 1.51 -1.26 -4.66 117.35 122.92 3nrz s TYR 592 Ca 0.16 -0.33 -0.20 0.00 -1.01 0.00 0.00 57.07 55.69 3nrz s TYR 592 Cb -0.15 -2.09 0.14 0.00 -0.11 0.00 0.00 41.96 39.75 3nrz s TYR 592 CO 0.08 -0.10 1.59 0.00 -1.11 0.00 0.00 175.55 176.01 3nrz n ASP 594 N -5.44 0.00 0.14 0.00 2.03 -1.26 -2.15 116.55 109.87 3nrz n ASP 594 Ca 0.05 0.41 0.13 0.00 0.52 0.00 0.00 54.79 55.89 3nrz n ASP 594 Cb 0.35 -0.46 0.37 0.00 -0.72 0.00 0.00 41.12 40.67 3nrz n ASP 594 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 3nrz h ASP 595 N 0.00 0.00 -2.67 1.67 3.32 -1.15 -3.45 116.42 114.14 3nrz h ASP 595 Ca 0.00 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.53 3nrz h ASP 595 Cb 0.31 0.00 0.06 0.00 0.22 0.00 0.00 39.33 39.91 3nrz h ASP 595 CO 0.00 0.00 1.01 -0.63 -1.72 0.00 0.00 179.24 177.90 3nrz s ILE 596 N -3.17 2.11 0.56 0.35 1.01 -0.92 -4.92 121.20 116.23 3nrz s ILE 596 Ca 0.09 0.06 -0.20 0.00 0.00 0.00 0.00 60.65 60.59 3nrz s ILE 596 Cb 0.10 -3.04 -0.06 0.00 0.01 0.00 0.00 42.46 39.48 3nrz s ILE 596 CO 0.59 0.00 1.11 -2.65 0.00 0.00 0.00 174.94 174.00 3nrz n PRO 597 N 4.12 1.24 -3.10 2.79 -0.02 -1.26 -4.98 135.00 133.79 3nrz n PRO 597 Ca 0.16 0.46 -0.37 0.00 -2.02 0.00 0.00 63.50 61.73 3nrz n PRO 597 Cb 0.36 -2.29 -0.06 0.00 -0.02 0.00 0.00 33.50 31.48 3nrz n PRO 597 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3nrz s ARG 598 N -2.70 4.33 0.76 -0.52 3.00 -1.26 -5.06 118.95 117.49 3nrz s ARG 598 Ca 0.73 0.92 -0.14 0.00 0.00 0.00 0.00 55.73 57.24 3nrz s ARG 598 Cb -0.44 -3.03 0.06 0.00 0.00 0.00 0.00 34.95 31.54 3nrz s ARG 598 CO 0.49 0.48 1.17 0.71 0.00 0.00 0.00 175.30 178.14 3nrz s TYR 599 N -1.37 2.12 0.40 -0.53 1.51 -1.26 -4.93 117.35 113.29 3nrz s TYR 599 Ca 0.39 1.63 0.10 0.00 -1.01 0.00 0.00 57.07 58.18 3nrz s TYR 599 Cb -0.19 -3.35 0.90 0.00 -0.11 0.00 0.00 41.96 39.21 3nrz s TYR 599 CO 0.22 -2.41 1.97 1.05 -1.11 0.00 0.00 175.55 175.27 3nrz h GLU 600 N -0.63 0.55 -0.65 -0.62 4.11 -2.01 -2.26 114.58 113.07 3nrz h GLU 600 Ca -0.46 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 58.94 3nrz h GLU 600 Cb 1.28 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3nrz h GLU 600 CO 0.49 0.37 0.00 0.27 0.07 0.00 0.00 179.01 180.21 3nrz n ASN 601 N -4.48 4.12 -4.74 3.06 6.94 -1.26 -5.01 115.26 113.89 3nrz n ASN 601 Ca 0.10 -2.18 -0.41 0.00 -0.02 0.00 0.00 54.58 52.07 3nrz n ASN 601 Cb 0.31 -0.49 -0.03 0.00 -2.36 0.00 0.00 39.78 37.21 3nrz n ASN 601 CO 0.00 0.00 0.00 -0.70 -1.03 0.00 0.00 177.26 175.53 3nrz s GLU 602 N -1.34 4.32 0.44 -3.83 2.12 -0.85 -4.51 118.70 115.03 3nrz s GLU 602 Ca 0.47 2.19 0.07 0.00 0.36 0.00 0.00 54.97 58.06 3nrz s GLU 602 Cb 0.27 -3.16 -0.02 0.00 0.26 0.00 0.00 34.13 31.49 3nrz s GLU 602 CO 0.28 -0.36 0.36 -0.51 -0.54 0.00 0.00 175.26 174.48 3nrz s LEU 603 N -0.08 3.25 -0.02 2.70 1.43 -0.02 -4.91 118.68 121.03 3nrz s LEU 603 Ca 0.59 -0.87 0.04 0.00 -1.03 0.00 0.00 54.13 52.86 3nrz s LEU 603 Cb -0.39 -1.83 -0.01 0.00 0.03 0.00 0.00 46.19 43.99 3nrz s LEU 603 CO 0.40 -0.71 -0.14 -0.36 0.23 0.00 0.00 176.35 175.76 3nrz s PHE 604 N -2.54 1.37 -0.02 0.29 0.40 0.16 -1.55 117.98 116.10 3nrz s PHE 604 Ca 0.45 -0.32 0.03 0.00 -0.60 0.00 0.00 56.93 56.49 3nrz s PHE 604 Cb -0.02 -0.91 -0.03 0.00 0.51 0.00 0.00 43.02 42.57 3nrz s PHE 604 CO 0.26 -0.08 -0.07 -1.17 0.70 0.00 0.00 175.22 174.86 3nrz s LEU 605 N -0.11 3.17 -0.04 -0.37 0.20 -0.25 -1.15 118.68 120.13 3nrz s LEU 605 Ca 0.01 -0.11 0.01 0.00 0.69 0.00 0.00 54.13 54.72 3nrz s LEU 605 Cb -0.08 -1.79 0.02 0.00 -0.43 0.00 0.00 46.19 43.92 3nrz s LEU 605 CO 0.00 0.30 -0.02 -0.60 -0.29 0.00 0.00 176.35 175.75 3nrz s ARG 606 N -1.26 0.61 0.37 1.98 6.06 -0.26 -4.62 118.95 121.83 3nrz s ARG 606 Ca 0.16 -0.01 -0.26 0.00 -2.50 0.00 0.00 55.73 53.12 3nrz s ARG 606 Cb -0.11 -0.72 -0.09 0.00 0.06 0.00 0.00 34.95 34.09 3nrz s ARG 606 CO 0.06 -0.13 1.14 -0.51 -2.50 0.00 0.00 175.30 173.36 3nrz s LEU 607 N 1.09 4.28 -0.19 -0.88 1.43 -1.26 -0.96 118.68 122.19 3nrz s LEU 607 Ca -0.09 2.29 -0.06 0.00 -1.03 0.00 0.00 54.13 55.24 3nrz s LEU 607 Cb -0.14 -3.94 -0.03 0.00 0.03 0.00 0.00 46.19 42.11 3nrz s LEU 607 CO -0.01 -0.50 0.02 -0.69 0.23 0.00 0.00 176.35 175.40 3nrz s VAL 608 N -1.38 4.29 0.03 -1.59 1.01 0.97 -4.88 120.40 118.85 3nrz s VAL 608 Ca 0.54 -0.21 0.06 0.00 0.00 0.00 0.00 61.98 62.37 3nrz s VAL 608 Cb -0.30 -2.93 -0.02 0.00 0.00 0.00 0.00 36.38 33.13 3nrz s VAL 608 CO 0.38 0.44 -0.16 -0.89 0.00 0.00 0.00 175.10 174.87 3nrz s THR 609 N 0.72 1.27 0.33 3.92 2.01 -1.26 -0.56 115.64 122.06 3nrz s THR 609 Ca 0.01 -1.01 -0.29 0.00 0.31 0.00 0.00 61.69 60.71 3nrz s THR 609 Cb -0.14 -1.13 -0.11 0.00 0.01 0.00 0.00 72.50 71.13 3nrz s THR 609 CO 0.02 0.10 1.55 -0.55 -0.69 0.00 0.00 174.62 175.04 3nrz s SER 610 N -1.06 6.37 0.00 3.53 0.15 0.99 -4.90 113.70 118.77 3nrz s SER 610 Ca 0.04 2.98 0.22 0.00 0.70 0.00 0.00 55.95 59.89 3nrz s SER 610 Cb -0.08 -2.65 0.39 0.00 -1.71 0.00 0.00 66.02 61.97 3nrz s SER 610 CO 0.01 -0.89 1.36 0.35 1.20 0.00 0.00 173.24 175.27 3nrz n THR 611 N 1.49 0.46 -4.94 6.45 -2.24 -1.25 -3.97 114.28 110.28 3nrz n THR 611 Ca 0.05 -0.73 -0.29 0.00 -2.27 0.00 0.00 64.05 60.81 3nrz n THR 611 Cb 0.38 1.03 -0.15 0.00 -2.10 0.00 0.00 70.33 69.49 3nrz n THR 611 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3nrz s ARG 612 N -1.49 1.76 0.15 -0.78 1.81 -1.26 -4.92 118.95 114.22 3nrz s ARG 612 Ca 0.36 -0.99 -0.11 0.00 -1.72 0.00 0.00 55.73 53.27 3nrz s ARG 612 Cb 0.22 -1.84 0.01 0.00 -0.45 0.00 0.00 34.95 32.89 3nrz s ARG 612 CO 0.30 0.49 1.57 0.00 -0.68 0.00 0.00 175.30 176.98 3nrz h ALA 613 N 5.05 0.68 -1.95 2.13 0.00 -1.80 -3.17 119.26 120.21 3nrz h ALA 613 Ca -0.44 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.10 3nrz h ALA 613 Cb 1.14 -0.18 -0.25 0.00 0.00 0.00 0.00 17.79 18.50 3nrz h ALA 613 CO 0.45 0.58 -0.32 -1.58 0.00 0.00 0.00 179.25 178.37 3nrz s HIS 614 N -4.84 -1.09 0.01 0.00 5.65 -1.26 -1.32 115.29 112.45 3nrz s HIS 614 Ca -0.12 1.57 -0.28 0.00 0.25 0.00 0.00 55.06 56.48 3nrz s HIS 614 Cb 0.12 0.40 0.07 0.00 -1.18 0.00 0.00 32.58 31.99 3nrz s HIS 614 CO 0.85 -0.66 0.67 0.00 -0.65 0.00 0.00 174.74 174.95 3nrz s ALA 615 N 2.71 -1.72 0.19 1.58 0.00 -0.78 -0.53 121.76 123.21 3nrz s ALA 615 Ca 0.05 1.06 -0.29 0.00 0.00 0.00 0.00 51.96 52.78 3nrz s ALA 615 Cb -0.13 0.27 -0.08 0.00 0.00 0.00 0.00 23.12 23.17 3nrz s ALA 615 CO -0.16 -0.50 0.91 0.21 0.00 0.00 0.00 175.76 176.21 3nrz s LYS 616 N -2.06 4.76 -0.32 0.00 2.47 0.51 -0.75 119.74 124.35 3nrz s LYS 616 Ca -0.06 1.40 -0.25 0.00 -1.56 0.00 0.00 55.97 55.50 3nrz s LYS 616 Cb -0.00 -3.30 0.01 0.00 -1.46 0.00 0.00 37.83 33.07 3nrz s LYS 616 CO 0.02 0.46 0.85 0.42 0.16 0.00 0.00 175.35 177.26 3nrz s ILE 617 N -0.89 4.71 -0.05 5.43 1.01 0.51 -0.54 121.20 131.38 3nrz s ILE 617 Ca 0.41 1.23 -0.12 0.00 0.00 0.00 0.00 60.65 62.17 3nrz s ILE 617 Cb -0.25 -4.22 -0.31 0.00 0.01 0.00 0.00 42.46 37.70 3nrz s ILE 617 CO 0.30 -0.35 0.68 0.50 0.00 0.00 0.00 174.94 176.07 3nrz h LYS 618 N 8.21 0.38 -2.84 2.79 3.64 -0.25 -3.47 116.57 125.03 3nrz h LYS 618 Ca -0.24 -0.66 0.03 0.00 -1.27 0.00 0.00 60.65 58.52 3nrz h LYS 618 Cb 1.09 0.24 -0.11 0.00 -0.41 0.00 0.00 32.23 33.04 3nrz h LYS 618 CO 0.92 1.31 0.28 -1.54 -2.27 0.00 0.00 179.45 178.16 3nrz s SER 619 N -7.27 -0.46 -0.10 4.20 1.04 -1.19 -4.98 113.70 104.94 3nrz s SER 619 Ca -0.16 -0.13 -0.00 0.00 0.48 0.00 0.00 55.95 56.14 3nrz s SER 619 Cb 0.05 0.58 0.02 0.00 0.10 0.00 0.00 66.02 66.77 3nrz s SER 619 CO 0.85 -0.97 -0.06 -0.63 0.98 0.00 0.00 173.24 173.40 3nrz s ILE 620 N -3.64 0.90 -0.22 -1.02 1.01 -1.26 -1.40 121.20 115.56 3nrz s ILE 620 Ca 0.04 -0.22 -0.05 0.00 0.00 0.00 0.00 60.65 60.43 3nrz s ILE 620 Cb -0.02 -0.93 -0.01 0.00 0.01 0.00 0.00 42.46 41.50 3nrz s ILE 620 CO -0.08 0.34 -0.01 -0.62 0.00 0.00 0.00 174.94 174.57 3nrz s ASP 621 N 1.68 4.54 0.00 3.58 2.15 0.71 -4.98 116.67 124.35 3nrz s ASP 621 Ca 0.03 -0.33 0.12 0.00 0.43 0.00 0.00 52.55 52.81 3nrz s ASP 621 Cb -0.13 -1.79 0.31 0.00 -0.30 0.00 0.00 42.92 41.02 3nrz s ASP 621 CO -0.07 -0.02 1.24 1.33 -0.17 0.00 0.00 175.17 177.49 3nrz n VAL 622 N 4.77 0.87 -0.18 1.11 0.24 -1.26 -1.31 118.33 122.58 3nrz n VAL 622 Ca -0.18 -0.94 -0.03 0.00 -2.04 0.00 0.00 64.34 61.16 3nrz n VAL 622 Cb 0.51 0.60 0.04 0.00 -1.47 0.00 0.00 33.84 33.52 3nrz n VAL 622 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 3nrz h SER 623 N 2.32 -0.70 0.32 -1.34 0.02 -1.93 -1.77 113.55 110.46 3nrz h SER 623 Ca 0.00 0.18 -0.22 0.00 -0.84 0.00 0.00 61.79 60.91 3nrz h SER 623 Cb 0.73 0.41 0.00 0.00 0.14 0.00 0.00 62.40 63.68 3nrz h SER 623 CO 0.00 -0.23 -0.92 -0.33 -1.14 0.00 0.00 176.83 174.21 3nrz h GLU 624 N -0.07 0.41 -0.90 3.45 4.39 -1.85 -3.12 114.58 116.91 3nrz h GLU 624 Ca 0.26 -0.44 0.12 0.00 0.34 0.00 0.00 59.36 59.64 3nrz h GLU 624 Cb 0.46 0.12 -0.08 0.00 -0.10 0.00 0.00 28.75 29.15 3nrz h GLU 624 CO -0.60 1.10 0.52 0.00 -1.16 0.00 0.00 179.01 178.87 3nrz h ALA 625 N 0.75 1.33 0.00 3.43 0.00 -1.63 -1.79 119.26 121.34 3nrz h ALA 625 Ca -0.07 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3nrz h ALA 625 Cb 1.55 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.21 3nrz h ALA 625 CO 0.16 0.10 -0.05 1.96 0.00 0.00 0.00 179.25 181.42 3nrz h GLN 626 N 0.83 0.00 0.00 0.00 4.20 -1.27 -2.01 115.11 116.86 3nrz h GLN 626 Ca 0.45 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.16 3nrz h GLN 626 Cb 0.48 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.26 3nrz h GLN 626 CO -0.28 0.05 0.00 1.63 -0.67 0.00 0.00 178.83 179.56 3nrz n LYS 627 N -3.80 0.16 -2.34 1.46 5.02 -0.68 -4.82 118.16 113.17 3nrz n LYS 627 Ca -0.03 0.16 -0.42 0.00 -2.02 0.00 0.00 58.31 56.01 3nrz n LYS 627 Cb 0.15 -1.70 -0.03 0.00 -0.02 0.00 0.00 35.03 33.43 3nrz n LYS 627 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3nrz s VAL 628 N -3.08 3.84 0.34 -0.18 1.01 -0.76 -4.97 120.40 116.60 3nrz s VAL 628 Ca 0.11 1.30 -0.29 0.00 0.00 0.00 0.00 61.98 63.10 3nrz s VAL 628 Cb 0.14 -3.83 -0.11 0.00 0.00 0.00 0.00 36.38 32.58 3nrz s VAL 628 CO 0.55 0.08 1.55 -2.65 0.00 0.00 0.00 175.10 174.62 3nrz n PRO 629 N 4.24 2.71 -0.95 2.72 -0.02 -1.26 -2.13 135.00 140.32 3nrz n PRO 629 Ca 0.10 0.96 0.00 0.00 -2.02 0.00 0.00 63.50 62.54 3nrz n PRO 629 Cb 0.45 -2.72 0.00 0.00 -0.02 0.00 0.00 33.50 31.21 3nrz n PRO 629 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3nrz n GLY 630 N 1.25 0.97 3.69 -1.23 0.00 -1.26 -4.86 105.19 103.75 3nrz n GLY 630 Ca 0.05 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.62 3nrz n GLY 630 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3nrz n PHE 631 N -2.01 2.50 -0.07 1.61 7.35 -0.90 -1.63 117.46 124.30 3nrz n PHE 631 Ca 0.00 0.10 -0.08 0.00 -0.76 0.00 0.00 57.45 56.71 3nrz n PHE 631 Cb 0.00 -2.63 -0.03 0.00 0.35 0.00 0.00 39.48 37.17 3nrz n PHE 631 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 3nrz n VAL 632 N 3.95 1.46 -3.48 -2.13 0.31 0.29 -4.95 118.33 113.79 3nrz n VAL 632 Ca 0.17 0.16 -0.10 0.00 -0.01 0.00 0.00 64.34 64.57 3nrz n VAL 632 Cb 0.32 -2.24 -0.02 0.00 -0.91 0.00 0.00 33.84 31.00 3nrz n VAL 632 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3nrz s PHE 634 N -3.46 3.17 -0.07 0.00 5.36 -1.26 -1.05 117.98 120.68 3nrz s PHE 634 Ca 0.03 -0.06 0.00 0.00 -0.96 0.00 0.00 56.93 55.95 3nrz s PHE 634 Cb -0.01 -2.04 -0.03 0.00 -0.34 0.00 0.00 43.02 40.60 3nrz s PHE 634 CO -0.10 0.08 -0.05 -0.51 -1.46 0.00 0.00 175.22 173.18 3nrz s LEU 635 N 0.38 3.29 0.00 6.12 1.43 0.12 -4.95 118.68 125.06 3nrz s LEU 635 Ca 0.01 0.02 0.05 0.00 -1.03 0.00 0.00 54.13 53.18 3nrz s LEU 635 Cb -0.13 -1.74 -0.02 0.00 0.03 0.00 0.00 46.19 44.33 3nrz s LEU 635 CO 0.01 0.36 0.34 -1.54 0.23 0.00 0.00 176.35 175.76 3nrz n SER 636 N 2.15 -0.90 -0.22 2.29 3.41 -1.26 -0.80 113.62 118.30 3nrz n SER 636 Ca -0.18 -3.10 0.16 0.00 -0.26 0.00 0.00 58.87 55.48 3nrz n SER 636 Cb 0.53 1.92 0.47 0.00 -0.26 0.00 0.00 64.21 66.88 3nrz n SER 636 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3nrz h ALA 637 N 2.06 2.07 0.00 7.33 0.00 -1.82 -1.03 119.26 127.86 3nrz h ALA 637 Ca -0.24 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 3nrz h ALA 637 Cb 1.19 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 3nrz h ALA 637 CO 0.35 -0.31 -0.00 -0.44 0.00 0.00 0.00 179.25 178.85 3nrz h ASP 638 N 0.49 0.00 0.95 0.00 3.32 -1.95 -2.67 116.42 116.55 3nrz h ASP 638 Ca 0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.47 3nrz h ASP 638 Cb 0.92 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.47 3nrz h ASP 638 CO -0.16 0.00 -0.19 0.47 -1.72 0.00 0.00 179.24 177.65 3nrz n ASP 639 N -3.10 0.33 -4.69 6.45 8.00 -0.39 -4.88 116.55 118.27 3nrz n ASP 639 Ca -0.02 0.29 -0.42 0.00 0.71 0.00 0.00 54.79 55.35 3nrz n ASP 639 Cb 0.15 -0.30 -0.03 0.00 -0.02 0.00 0.00 41.12 40.92 3nrz n ASP 639 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3nrz s ILE 640 N -3.03 3.85 -0.20 0.53 1.01 -1.01 -4.94 121.20 117.41 3nrz s ILE 640 Ca 0.12 1.22 0.18 0.00 0.00 0.00 0.00 60.65 62.17 3nrz s ILE 640 Cb 0.17 -3.79 0.04 0.00 0.01 0.00 0.00 42.46 38.89 3nrz s ILE 640 CO 0.60 -0.00 1.24 1.55 0.00 0.00 0.00 174.94 178.33 3nrz h PRO 641 N 7.73 0.00 0.00 2.79 0.13 -1.86 -3.44 132.00 137.34 3nrz h PRO 641 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 3nrz h PRO 641 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3nrz h PRO 641 CO 0.90 0.30 0.00 0.41 -0.23 0.00 0.00 178.00 179.38 3nrz n GLY 642 N 1.25 -0.14 2.92 1.56 0.00 0.18 -4.79 105.19 106.18 3nrz n GLY 642 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 3nrz n GLY 642 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3nrz s SER 643 N -0.46 -0.01 0.00 1.61 0.15 -0.94 -4.86 113.70 109.19 3nrz s SER 643 Ca 0.00 0.01 0.21 0.00 0.70 0.00 0.00 55.95 56.86 3nrz s SER 643 Cb 0.00 0.08 0.53 0.00 -1.71 0.00 0.00 66.02 64.92 3nrz s SER 643 CO 0.00 -0.05 1.45 -3.20 1.20 0.00 0.00 173.24 172.63 3nrz n ASN 644 N 2.86 3.06 -4.60 5.45 5.15 -1.26 -4.33 115.26 121.60 3nrz n ASN 644 Ca -0.14 -1.95 -0.38 0.00 -0.60 0.00 0.00 54.58 51.51 3nrz n ASN 644 Cb 0.59 -0.30 -0.11 0.00 -0.53 0.00 0.00 39.78 39.43 3nrz n ASN 644 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 3nrz s GLU 645 N -1.40 3.97 0.24 1.20 2.12 -1.26 -2.04 118.70 121.54 3nrz s GLU 645 Ca 0.39 -0.29 0.01 0.00 0.36 0.00 0.00 54.97 55.44 3nrz s GLU 645 Cb 0.21 -3.64 -0.00 0.00 0.26 0.00 0.00 34.13 30.96 3nrz s GLU 645 CO 0.29 -0.15 0.29 -2.37 -0.54 0.00 0.00 175.26 172.78 3nrz n THR 646 N 4.94 0.00 0.00 -1.70 5.66 0.03 -4.90 114.28 118.31 3nrz n THR 646 Ca -0.14 -1.42 0.00 0.00 -3.05 0.00 0.00 64.05 59.44 3nrz n THR 646 Cb 0.52 0.80 0.00 0.00 -1.55 0.00 0.00 70.33 70.10 3nrz n THR 646 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3nrz n GLY 647 N -0.42 1.33 0.36 1.09 0.00 -1.26 -1.42 105.19 104.88 3nrz n GLY 647 Ca 0.02 -1.83 0.08 0.00 0.00 0.00 0.00 46.02 44.30 3nrz n GLY 647 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3nrz h LEU 648 N 0.00 0.72 -3.31 0.99 5.85 -1.97 -1.64 115.31 115.95 3nrz h LEU 648 Ca 0.00 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.64 3nrz h LEU 648 Cb 0.00 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 40.84 3nrz h LEU 648 CO 0.00 0.42 -0.02 0.49 -0.34 0.00 0.00 178.44 178.99 3nrz n PHE 649 N -4.52 1.02 -3.58 1.25 3.01 -1.26 -4.95 117.46 108.43 3nrz n PHE 649 Ca 0.14 -1.28 -0.27 0.00 1.01 0.00 0.00 57.45 57.06 3nrz n PHE 649 Cb 0.32 -0.41 0.00 0.00 -0.01 0.00 0.00 39.48 39.38 3nrz n PHE 649 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 3nrz n ASN 650 N -0.89 -4.05 -0.20 4.37 3.02 -0.62 -4.84 115.26 112.05 3nrz n ASN 650 Ca 0.28 -0.55 0.09 0.00 -0.03 0.00 0.00 54.58 54.37 3nrz n ASN 650 Cb 0.97 -3.31 0.15 0.00 -0.61 0.00 0.00 39.78 36.98 3nrz n ASN 650 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3nrz n ASP 651 N -2.47 2.57 -4.40 6.41 5.75 -1.05 -4.67 116.55 118.70 3nrz n ASP 651 Ca 0.01 -2.98 -0.21 0.00 -0.01 0.00 0.00 54.79 51.60 3nrz n ASP 651 Cb 0.53 -0.41 -0.10 0.00 -1.03 0.00 0.00 41.12 40.11 3nrz n ASP 651 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3nrz s GLU 652 N -2.70 1.48 0.09 0.11 2.02 -0.51 -4.87 118.70 114.32 3nrz s GLU 652 Ca 0.31 -1.70 0.02 0.00 0.02 0.00 0.00 54.97 53.63 3nrz s GLU 652 Cb 0.27 -1.29 -0.04 0.00 0.10 0.00 0.00 34.13 33.17 3nrz s GLU 652 CO 0.04 0.17 0.15 0.95 0.02 0.00 0.00 175.26 176.59 3nrz s THR 653 N -2.87 4.91 -0.02 3.63 -4.23 -1.26 -0.79 115.64 115.01 3nrz s THR 653 Ca 0.26 -0.66 -0.25 0.00 -1.18 0.00 0.00 61.69 59.86 3nrz s THR 653 Cb -0.00 -3.41 -0.19 0.00 1.34 0.00 0.00 72.50 70.23 3nrz s THR 653 CO 0.10 0.08 1.26 0.58 -0.54 0.00 0.00 174.62 176.10 3nrz h VAL 654 N 2.25 1.28 -3.87 2.29 2.07 -1.75 -3.45 116.25 115.06 3nrz h VAL 654 Ca -0.46 -1.05 -0.55 0.00 0.82 0.00 0.00 66.70 65.46 3nrz h VAL 654 Cb 1.17 1.97 -0.31 0.00 -1.52 0.00 0.00 31.29 32.59 3nrz h VAL 654 CO 0.69 0.26 -0.83 -0.36 0.02 0.00 0.00 177.57 177.36 3nrz s PHE 655 N -4.32 1.62 0.43 1.57 2.99 -1.26 -4.84 117.98 114.17 3nrz s PHE 655 Ca -0.15 -0.47 -0.26 0.00 0.00 0.00 0.00 56.93 56.05 3nrz s PHE 655 Cb 0.02 -1.10 -0.09 0.00 0.00 0.00 0.00 43.02 41.85 3nrz s PHE 655 CO 0.65 -0.16 1.43 0.00 -0.00 0.00 0.00 175.22 177.14 3nrz s ALA 656 N 0.08 3.33 -0.03 5.36 0.00 0.44 -4.65 121.76 126.29 3nrz s ALA 656 Ca -0.04 1.47 -0.04 0.00 0.00 0.00 0.00 51.96 53.35 3nrz s ALA 656 Cb -0.11 -3.59 -0.01 0.00 0.00 0.00 0.00 23.12 19.41 3nrz s ALA 656 CO 0.02 -1.13 -0.07 1.17 0.00 0.00 0.00 175.76 175.75 3nrz n LYS 657 N -0.00 0.11 -0.11 0.00 4.81 -1.26 -4.62 118.16 117.08 3nrz n LYS 657 Ca 0.04 0.04 -0.13 0.00 -0.87 0.00 0.00 58.31 57.39 3nrz n LYS 657 Cb 0.41 -0.58 -0.14 0.00 0.02 0.00 0.00 35.03 34.74 3nrz n LYS 657 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3nrz n ASP 658 N -3.01 0.79 -4.00 3.14 8.00 -1.26 -4.81 116.55 115.40 3nrz n ASP 658 Ca -0.03 -0.06 -0.15 0.00 0.71 0.00 0.00 54.79 55.26 3nrz n ASP 658 Cb 0.11 0.44 -0.13 0.00 -0.02 0.00 0.00 41.12 41.51 3nrz n ASP 658 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3nrz s THR 659 N -2.50 0.50 -0.04 -3.53 -4.23 -1.26 -0.36 115.64 104.21 3nrz s THR 659 Ca -0.20 -0.54 -0.03 0.00 -1.18 0.00 0.00 61.69 59.74 3nrz s THR 659 Cb 0.07 -0.47 -0.04 0.00 1.34 0.00 0.00 72.50 73.40 3nrz s THR 659 CO 0.74 -0.05 0.10 0.68 -0.54 0.00 0.00 174.62 175.56 3nrz s VAL 660 N -0.57 5.00 0.00 2.29 -7.23 0.07 -4.86 120.40 115.10 3nrz s VAL 660 Ca -0.02 -0.19 0.00 0.00 -1.81 0.00 0.00 61.98 59.97 3nrz s VAL 660 Cb -0.05 -3.25 0.00 0.00 0.56 0.00 0.00 36.38 33.65 3nrz s VAL 660 CO 0.00 0.45 0.85 0.35 -0.31 0.00 0.00 175.10 176.44 3nrz n THR 661 N 1.46 0.71 -3.53 5.32 -2.24 -1.26 -1.86 114.28 112.89 3nrz n THR 661 Ca -0.15 -0.73 -0.08 0.00 -2.27 0.00 0.00 64.05 60.81 3nrz n THR 661 Cb 0.53 0.65 -0.02 0.00 -2.10 0.00 0.00 70.33 69.40 3nrz n THR 661 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3nrz h VAL 663 N 2.00 1.05 -0.22 0.00 2.07 -1.75 -2.41 116.25 116.98 3nrz h VAL 663 Ca -0.24 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 66.95 3nrz h VAL 663 Cb 1.25 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 3nrz h VAL 663 CO 0.31 0.16 0.03 0.61 0.02 0.00 0.00 177.57 178.70 3nrz n GLY 664 N -1.31 2.15 3.69 2.17 0.00 -1.25 -3.43 105.19 107.21 3nrz n GLY 664 Ca 0.10 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 3nrz n GLY 664 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3nrz s HIS 665 N -1.55 2.55 -0.14 1.61 5.04 -0.91 -4.55 115.29 117.34 3nrz s HIS 665 Ca 0.19 0.40 -0.29 0.00 -1.54 0.00 0.00 55.06 53.82 3nrz s HIS 665 Cb 0.15 -3.94 -0.02 0.00 0.04 0.00 0.00 32.58 28.81 3nrz s HIS 665 CO 0.05 -3.72 1.23 0.42 -2.34 0.00 0.00 174.74 170.38 3nrz s ILE 666 N 2.36 4.30 -0.18 0.89 1.01 -1.26 -0.01 121.20 128.31 3nrz s ILE 666 Ca 0.73 1.59 0.13 0.00 0.00 0.00 0.00 60.65 63.10 3nrz s ILE 666 Cb -0.40 -4.02 -0.20 0.00 0.01 0.00 0.00 42.46 37.84 3nrz s ILE 666 CO 0.32 -0.10 0.02 -0.38 0.00 0.00 0.00 174.94 174.79 3nrz n ILE 667 N 5.17 1.21 -3.85 2.92 5.41 0.27 -0.42 119.36 130.07 3nrz n ILE 667 Ca 0.13 -0.70 0.00 0.00 1.00 0.00 0.00 62.75 63.18 3nrz n ILE 667 Cb 0.45 -0.66 0.00 0.00 -0.71 0.00 0.00 39.64 38.72 3nrz n ILE 667 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3nrz n GLY 668 N 2.01 0.62 3.35 7.39 0.00 -1.09 -4.19 105.19 113.27 3nrz n GLY 668 Ca -0.30 -0.84 -0.14 0.00 0.00 0.00 0.00 46.02 44.74 3nrz n GLY 668 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3nrz s ALA 669 N -1.04 -1.13 -0.12 4.61 0.00 0.02 -0.02 121.76 124.09 3nrz s ALA 669 Ca 0.01 1.08 -0.06 0.00 0.00 0.00 0.00 51.96 52.99 3nrz s ALA 669 Cb -0.00 -0.48 -0.04 0.00 0.00 0.00 0.00 23.12 22.60 3nrz s ALA 669 CO -0.00 -0.24 0.11 0.08 0.00 0.00 0.00 175.76 175.70 3nrz s VAL 670 N -0.28 5.23 -0.07 0.00 1.01 -0.14 0.13 120.40 126.27 3nrz s VAL 670 Ca -0.04 0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.07 3nrz s VAL 670 Cb -0.03 -3.27 -0.02 0.00 0.00 0.00 0.00 36.38 33.06 3nrz s VAL 670 CO 0.03 0.61 -0.16 -0.69 0.00 0.00 0.00 175.10 174.88 3nrz s VAL 671 N -0.91 2.89 0.28 2.92 1.01 -0.21 -1.10 120.40 125.28 3nrz s VAL 671 Ca 0.14 -0.76 -0.08 0.00 0.00 0.00 0.00 61.98 61.28 3nrz s VAL 671 Cb -0.12 -2.15 -0.00 0.00 0.00 0.00 0.00 36.38 34.11 3nrz s VAL 671 CO 0.03 0.57 0.45 0.00 0.00 0.00 0.00 175.10 176.15 3nrz s ALA 672 N -0.32 0.24 -0.72 5.51 0.00 -0.30 -0.55 121.76 125.62 3nrz s ALA 672 Ca 0.02 -1.19 0.26 0.00 0.00 0.00 0.00 51.96 51.06 3nrz s ALA 672 Cb -0.13 1.12 0.77 0.00 0.00 0.00 0.00 23.12 24.88 3nrz s ALA 672 CO 0.03 -0.81 1.74 -0.40 0.00 0.00 0.00 175.76 176.32 3nrz n ASP 673 N -0.76 0.82 -4.05 0.00 3.85 -0.65 -0.66 116.55 115.10 3nrz n ASP 673 Ca -0.01 0.55 -0.08 0.00 -0.71 0.00 0.00 54.79 54.54 3nrz n ASP 673 Cb 0.62 -0.74 -0.10 0.00 -1.35 0.00 0.00 41.12 39.55 3nrz n ASP 673 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 3nrz s THR 674 N -3.11 0.22 0.35 2.12 -4.23 -1.26 -4.76 115.64 104.97 3nrz s THR 674 Ca 0.10 -1.44 0.08 0.00 -1.18 0.00 0.00 61.69 59.26 3nrz s THR 674 Cb 0.12 -1.01 0.11 0.00 1.34 0.00 0.00 72.50 73.07 3nrz s THR 674 CO 0.61 -0.77 1.83 1.55 -0.54 0.00 0.00 174.62 177.30 3nrz h PRO 675 N 3.77 0.25 -0.58 3.99 0.13 -1.91 -1.82 132.00 135.83 3nrz h PRO 675 Ca -0.33 -0.08 -0.07 0.00 -0.87 0.00 0.00 66.00 64.64 3nrz h PRO 675 Cb 1.17 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 3nrz h PRO 675 CO 0.55 0.47 0.06 0.93 -0.23 0.00 0.00 178.00 179.79 3nrz h GLU 676 N 0.23 0.95 -0.31 0.86 3.07 -1.99 -0.93 114.58 116.46 3nrz h GLU 676 Ca 0.04 -0.25 -0.14 0.00 -0.50 0.00 0.00 59.36 58.51 3nrz h GLU 676 Cb 0.54 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.32 3nrz h GLU 676 CO 0.04 0.90 -0.36 0.45 -1.40 0.00 0.00 179.01 178.64 3nrz h HIS 677 N 0.89 0.83 -0.57 4.33 3.86 -1.82 -1.71 115.15 120.95 3nrz h HIS 677 Ca 0.18 -0.23 -0.01 0.00 -1.16 0.00 0.00 60.37 59.15 3nrz h HIS 677 Cb 0.44 -0.18 -0.03 0.00 1.06 0.00 0.00 27.41 28.70 3nrz h HIS 677 CO 0.03 0.96 0.32 0.00 0.86 0.00 0.00 177.93 180.10 3nrz h ALA 678 N 1.01 0.73 -0.29 2.45 0.00 -1.10 0.02 119.26 122.09 3nrz h ALA 678 Ca 0.06 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3nrz h ALA 678 Cb 0.88 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3nrz h ALA 678 CO 0.08 0.25 0.09 1.49 0.00 0.00 0.00 179.25 181.16 3nrz h GLU 679 N 0.77 0.45 -0.32 0.00 4.81 -1.05 -1.31 114.58 117.93 3nrz h GLU 679 Ca 0.20 -0.10 0.03 0.00 -0.13 0.00 0.00 59.36 59.37 3nrz h GLU 679 Cb 0.04 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 3nrz h GLU 679 CO -0.03 0.50 0.13 0.00 -0.73 0.00 0.00 179.01 178.88 3nrz h ARG 680 N 0.31 0.27 -0.56 1.92 3.08 -1.16 -2.74 114.38 115.50 3nrz h ARG 680 Ca 0.09 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.08 3nrz h ARG 680 Cb 0.24 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 3nrz h ARG 680 CO -0.00 0.18 0.15 0.00 -1.07 0.00 0.00 179.97 179.22 3nrz h ALA 681 N 1.19 0.74 -0.82 0.04 0.00 -0.85 -3.11 119.26 116.46 3nrz h ALA 681 Ca 0.14 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3nrz h ALA 681 Cb 0.09 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 3nrz h ALA 681 CO -0.12 0.43 0.38 0.00 0.00 0.00 0.00 179.25 179.94 3nrz h ALA 682 N 1.03 1.05 0.00 0.00 0.00 -1.14 -2.54 119.26 117.66 3nrz h ALA 682 Ca 0.18 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3nrz h ALA 682 Cb 0.33 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3nrz h ALA 682 CO 0.00 0.63 -0.19 1.25 0.00 0.00 0.00 179.25 180.94 3nrz h HIS 683 N 1.16 0.00 -0.08 0.00 6.17 -1.42 -2.64 115.15 118.34 3nrz h HIS 683 Ca 0.28 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.36 3nrz h HIS 683 Cb 0.13 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.06 3nrz h HIS 683 CO 0.01 0.19 0.00 0.28 0.71 0.00 0.00 177.93 179.12 3nrz n VAL 684 N -3.84 0.08 -2.24 5.26 0.31 -0.97 -4.89 118.33 112.05 3nrz n VAL 684 Ca -0.02 -0.44 -0.42 0.00 -0.01 0.00 0.00 64.34 63.45 3nrz n VAL 684 Cb 0.29 1.03 -0.03 0.00 -0.91 0.00 0.00 33.84 34.22 3nrz n VAL 684 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3nrz s VAL 685 N -1.92 3.67 -0.28 2.52 1.01 -1.00 -4.31 120.40 120.10 3nrz s VAL 685 Ca 0.33 1.11 -0.07 0.00 0.00 0.00 0.00 61.98 63.35 3nrz s VAL 685 Cb 0.20 -3.72 -0.00 0.00 0.00 0.00 0.00 36.38 32.87 3nrz s VAL 685 CO 0.31 0.03 0.07 -0.54 0.00 0.00 0.00 175.10 174.97 3nrz s LYS 686 N 1.94 3.28 -0.16 2.72 3.01 -0.43 -4.97 119.74 125.14 3nrz s LYS 686 Ca 0.63 -0.73 -0.05 0.00 -1.01 0.00 0.00 55.97 54.82 3nrz s LYS 686 Cb -0.32 -3.33 -0.03 0.00 -1.01 0.00 0.00 37.83 33.13 3nrz s LYS 686 CO 0.27 -0.35 -0.01 0.08 0.51 0.00 0.00 175.35 175.86 3nrz s VAL 687 N 1.53 4.18 -0.19 3.17 1.01 -1.26 -0.21 120.40 128.63 3nrz s VAL 687 Ca 0.04 -0.26 -0.10 0.00 0.00 0.00 0.00 61.98 61.66 3nrz s VAL 687 Cb -0.16 -2.84 -0.05 0.00 0.00 0.00 0.00 36.38 33.33 3nrz s VAL 687 CO 0.02 0.50 0.13 -0.89 0.00 0.00 0.00 175.10 174.86 3nrz s THR 688 N 0.23 5.41 0.21 3.92 2.01 -0.49 -4.99 115.64 121.94 3nrz s THR 688 Ca -0.00 0.20 0.10 0.00 0.31 0.00 0.00 61.69 62.30 3nrz s THR 688 Cb -0.13 -3.47 -0.04 0.00 0.01 0.00 0.00 72.50 68.86 3nrz s THR 688 CO 0.02 0.45 -0.14 -0.31 -0.69 0.00 0.00 174.62 173.95 3nrz s TYR 689 N 0.29 2.51 -0.24 4.92 1.51 -1.26 0.51 117.35 125.59 3nrz s TYR 689 Ca 0.09 -0.27 0.02 0.00 -1.01 0.00 0.00 57.07 55.90 3nrz s TYR 689 Cb -0.11 -1.20 0.05 0.00 -0.11 0.00 0.00 41.96 40.59 3nrz s TYR 689 CO -0.02 0.55 -0.11 -2.00 -1.11 0.00 0.00 175.55 172.86 3nrz s GLU 690 N -2.97 2.23 0.38 -0.62 2.12 0.30 -4.82 118.70 115.32 3nrz s GLU 690 Ca 0.25 -1.21 -0.27 0.00 0.36 0.00 0.00 54.97 54.10 3nrz s GLU 690 Cb -0.08 -2.78 -0.10 0.00 0.26 0.00 0.00 34.13 31.43 3nrz s GLU 690 CO 0.14 -0.52 1.40 -0.51 -0.54 0.00 0.00 175.26 175.23 3nrz s ASP 691 N 1.18 6.36 0.27 -1.70 1.11 -1.26 -0.36 116.67 122.27 3nrz s ASP 691 Ca -0.06 2.88 0.12 0.00 0.18 0.00 0.00 52.55 55.66 3nrz s ASP 691 Cb -0.19 -2.66 -0.05 0.00 1.07 0.00 0.00 42.92 41.10 3nrz s ASP 691 CO -0.06 -0.84 -0.19 -0.76 1.18 0.00 0.00 175.17 174.49 3nrz s LEU 692 N -2.18 2.61 0.22 1.23 1.43 0.31 -4.84 118.68 117.45 3nrz s LEU 692 Ca 0.54 -0.99 -0.30 0.00 -1.03 0.00 0.00 54.13 52.35 3nrz s LEU 692 Cb -0.43 -1.15 -0.10 0.00 0.03 0.00 0.00 46.19 44.54 3nrz s LEU 692 CO 0.57 0.05 1.47 -2.84 0.23 0.00 0.00 176.35 175.83 3nrz s PRO 693 N -3.42 4.26 0.23 1.29 0.02 -1.26 -4.61 135.00 131.51 3nrz s PRO 693 Ca 0.29 2.30 0.08 0.00 0.02 0.00 0.00 61.00 63.69 3nrz s PRO 693 Cb -0.05 -3.13 -0.04 0.00 0.02 0.00 0.00 34.50 31.30 3nrz s PRO 693 CO 0.15 -0.47 0.04 0.00 -0.33 0.00 0.00 177.00 176.39 3nrz s ALA 694 N 0.34 3.28 -0.20 -1.55 0.00 -1.26 -4.94 121.76 117.43 3nrz s ALA 694 Ca 0.62 -1.49 0.01 0.00 0.00 0.00 0.00 51.96 51.10 3nrz s ALA 694 Cb -0.42 -0.98 0.04 0.00 0.00 0.00 0.00 23.12 21.76 3nrz s ALA 694 CO 0.40 0.34 -0.09 0.42 0.00 0.00 0.00 175.76 176.83 3nrz s ILE 695 N -2.06 1.58 -0.11 0.00 1.01 -1.26 -5.02 121.20 115.34 3nrz s ILE 695 Ca 0.30 -1.00 -0.06 0.00 0.00 0.00 0.00 60.65 59.90 3nrz s ILE 695 Cb -0.08 -1.69 -0.05 0.00 0.01 0.00 0.00 42.46 40.66 3nrz s ILE 695 CO 0.21 0.14 -0.14 -0.38 0.00 0.00 0.00 174.94 174.76 3nrz n ILE 696 N 4.70 0.61 -2.83 2.92 5.41 -1.26 0.52 119.36 129.43 3nrz n ILE 696 Ca -0.14 -0.16 -0.27 0.00 1.00 0.00 0.00 62.75 63.18 3nrz n ILE 696 Cb 0.46 -1.65 -0.01 0.00 -0.71 0.00 0.00 39.64 37.74 3nrz n ILE 696 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 3nrz s THR 697 N -2.20 4.93 0.27 1.39 -4.23 -1.26 -4.78 115.64 109.76 3nrz s THR 697 Ca -0.15 0.16 -0.02 0.00 -1.18 0.00 0.00 61.69 60.49 3nrz s THR 697 Cb 0.06 -3.84 0.27 0.00 1.34 0.00 0.00 72.50 70.33 3nrz s THR 697 CO 0.20 -0.72 1.91 0.40 -0.54 0.00 0.00 174.62 175.87 3nrz h ILE 698 N 0.52 1.14 -0.22 2.99 2.04 -1.96 -1.12 117.51 120.89 3nrz h ILE 698 Ca -0.47 -0.41 -0.00 0.00 1.00 0.00 0.00 64.86 64.98 3nrz h ILE 698 Cb 1.20 -0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 3nrz h ILE 698 CO 0.62 0.22 0.12 -0.33 0.00 0.00 0.00 178.15 178.78 3nrz h GLU 699 N 1.19 0.30 -0.64 2.37 3.07 -1.99 -0.40 114.58 118.48 3nrz h GLU 699 Ca 0.40 -0.03 0.13 0.00 -0.50 0.00 0.00 59.36 59.35 3nrz h GLU 699 Cb 0.07 -0.06 -0.10 0.00 -0.84 0.00 0.00 28.75 27.82 3nrz h GLU 699 CO -0.13 0.27 0.10 -0.44 -1.40 0.00 0.00 179.01 177.41 3nrz h ASP 700 N 0.25 -0.08 -0.35 1.42 3.32 -1.81 -1.41 116.42 117.77 3nrz h ASP 700 Ca 0.08 0.13 -0.09 0.00 0.02 0.00 0.00 57.03 57.17 3nrz h ASP 700 Cb 0.05 0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 3nrz h ASP 700 CO -0.01 -0.04 -0.12 0.00 -1.72 0.00 0.00 179.24 177.34 3nrz h ALA 701 N 1.53 0.48 -0.48 3.45 0.00 -0.69 -1.80 119.26 121.76 3nrz h ALA 701 Ca 0.34 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3nrz h ALA 701 Cb 0.54 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3nrz h ALA 701 CO -0.46 0.36 0.28 0.82 0.00 0.00 0.00 179.25 180.25 3nrz h ILE 702 N 0.48 1.16 0.00 0.00 2.04 -0.87 0.14 117.51 120.46 3nrz h ILE 702 Ca 0.08 -0.39 -0.05 0.00 1.00 0.00 0.00 64.86 65.51 3nrz h ILE 702 Cb 0.64 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 3nrz h ILE 702 CO 0.04 0.17 -0.22 0.50 0.00 0.00 0.00 178.15 178.64 3nrz h LYS 703 N 0.64 0.00 -0.70 2.37 3.64 -1.12 -2.40 116.57 118.99 3nrz h LYS 703 Ca 0.17 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 3nrz h LYS 703 Cb 0.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 3nrz h LYS 703 CO -0.03 0.22 0.00 0.09 -2.27 0.00 0.00 179.45 177.46 3nrz n ASN 704 N -4.16 3.90 -4.27 4.20 3.02 -0.69 -4.96 115.26 112.30 3nrz n ASN 704 Ca -0.02 -2.00 -0.36 0.00 -0.03 0.00 0.00 54.58 52.17 3nrz n ASN 704 Cb 0.28 -0.47 -0.04 0.00 -0.61 0.00 0.00 39.78 38.95 3nrz n ASN 704 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3nrz n ASN 705 N 1.62 -2.31 -4.43 6.41 4.13 -0.27 -4.88 115.26 115.52 3nrz n ASN 705 Ca 0.24 -1.08 -0.44 0.00 1.68 0.00 0.00 54.58 54.97 3nrz n ASN 705 Cb 0.62 -2.46 -0.02 0.00 -1.54 0.00 0.00 39.78 36.38 3nrz n ASN 705 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 3nrz s SER 706 N -3.50 6.71 0.12 6.41 0.15 0.34 -4.99 113.70 118.94 3nrz s SER 706 Ca 0.62 -2.27 0.06 0.00 0.70 0.00 0.00 55.95 55.06 3nrz s SER 706 Cb -0.34 -2.37 -0.04 0.00 -1.71 0.00 0.00 66.02 61.56 3nrz s SER 706 CO 0.95 -0.94 -0.14 -0.36 1.20 0.00 0.00 173.24 173.94 3nrz s PHE 707 N 2.13 1.42 -0.15 3.44 0.40 -1.26 -0.87 117.98 123.07 3nrz s PHE 707 Ca 0.32 -0.54 -0.20 0.00 -0.60 0.00 0.00 56.93 55.91 3nrz s PHE 707 Cb -0.05 -0.74 -0.03 0.00 0.51 0.00 0.00 43.02 42.70 3nrz s PHE 707 CO -0.08 0.15 0.56 0.71 0.70 0.00 0.00 175.22 177.25 3nrz s TYR 708 N -2.05 3.45 0.00 0.36 4.12 -0.26 -4.77 117.35 118.20 3nrz s TYR 708 Ca 0.08 0.91 0.00 0.00 0.02 0.00 0.00 57.07 58.09 3nrz s TYR 708 Cb -0.05 -2.68 0.00 0.00 -1.52 0.00 0.00 41.96 37.70 3nrz s TYR 708 CO 0.03 -0.00 0.00 0.41 0.02 0.00 0.00 175.55 176.01 3nrz n GLY 709 N 3.55 0.06 3.76 0.71 0.00 -1.26 -4.45 105.19 107.56 3nrz n GLY 709 Ca -0.04 -0.98 -0.25 0.00 0.00 0.00 0.00 46.02 44.75 3nrz n GLY 709 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3nrz s SER 710 N -4.00 4.47 0.18 1.61 1.04 -1.26 -5.01 113.70 110.73 3nrz s SER 710 Ca 0.00 -1.09 -0.33 0.00 0.48 0.00 0.00 55.95 55.01 3nrz s SER 710 Cb 0.00 -0.38 -0.14 0.00 0.10 0.00 0.00 66.02 65.60 3nrz s SER 710 CO 0.00 -0.61 1.50 1.21 0.98 0.00 0.00 173.24 176.33 3nrz n GLU 711 N -1.30 2.02 -3.47 4.02 2.13 -1.26 -4.91 120.64 117.87 3nrz n GLU 711 Ca -0.01 0.73 -0.35 0.00 0.66 0.00 0.00 57.16 58.18 3nrz n GLU 711 Cb 0.64 -2.45 -0.06 0.00 0.27 0.00 0.00 31.44 29.85 3nrz n GLU 711 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3nrz s LEU 712 N 0.62 4.34 -0.12 4.31 1.43 -0.68 -4.95 118.68 123.63 3nrz s LEU 712 Ca 0.76 0.93 -0.12 0.00 -1.03 0.00 0.00 54.13 54.67 3nrz s LEU 712 Cb -0.69 -3.13 0.03 0.00 0.03 0.00 0.00 46.19 42.43 3nrz s LEU 712 CO 0.42 0.14 0.33 -0.75 0.23 0.00 0.00 176.35 176.72 3nrz s LYS 713 N -1.94 0.40 -0.10 1.70 2.20 -1.26 -0.90 119.74 119.85 3nrz s LYS 713 Ca 0.35 0.41 0.02 0.00 -0.36 0.00 0.00 55.97 56.39 3nrz s LYS 713 Cb -0.14 0.19 0.01 0.00 -1.51 0.00 0.00 37.83 36.38 3nrz s LYS 713 CO 0.19 -0.06 -0.15 0.42 -0.36 0.00 0.00 175.35 175.39 3nrz s ILE 714 N 0.07 1.45 -0.02 5.43 1.01 -0.41 -4.98 121.20 123.74 3nrz s ILE 714 Ca -0.01 -0.63 0.02 0.00 0.00 0.00 0.00 60.65 60.03 3nrz s ILE 714 Cb -0.03 -1.32 0.00 0.00 0.01 0.00 0.00 42.46 41.13 3nrz s ILE 714 CO 0.01 0.43 -0.08 -0.70 0.00 0.00 0.00 174.94 174.60 3nrz s GLU 715 N 0.85 0.88 -0.01 2.79 2.12 -1.26 -1.08 118.70 122.98 3nrz s GLU 715 Ca -0.10 -0.27 -0.05 0.00 0.36 0.00 0.00 54.97 54.91 3nrz s GLU 715 Cb -0.15 -0.83 0.00 0.00 0.26 0.00 0.00 34.13 33.40 3nrz s GLU 715 CO 0.01 0.10 0.10 0.21 -0.54 0.00 0.00 175.26 175.13 3nrz s LYS 716 N 0.22 0.30 2.91 4.30 2.20 -0.28 -5.01 119.74 124.38 3nrz s LYS 716 Ca -0.03 -0.20 0.00 0.00 -0.36 0.00 0.00 55.97 55.38 3nrz s LYS 716 Cb -0.08 0.13 0.00 0.00 -1.51 0.00 0.00 37.83 36.36 3nrz s LYS 716 CO 0.00 -0.06 0.00 0.41 -0.36 0.00 0.00 175.35 175.34 3nrz n GLY 717 N 2.15 -0.49 2.70 5.54 0.00 -1.25 -0.78 105.19 113.05 3nrz n GLY 717 Ca -0.19 -1.12 -0.28 0.00 0.00 0.00 0.00 46.02 44.44 3nrz n GLY 717 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3nrz s ASP 718 N -4.00 2.90 0.15 1.61 3.68 -1.26 -4.91 116.67 114.85 3nrz s ASP 718 Ca 0.00 -0.86 -0.14 0.00 2.13 0.00 0.00 52.55 53.68 3nrz s ASP 718 Cb 0.00 -0.53 0.04 0.00 -1.45 0.00 0.00 42.92 40.98 3nrz s ASP 718 CO 0.00 -0.33 1.70 -0.07 0.13 0.00 0.00 175.17 176.60 3nrz h LEU 719 N 8.28 0.70 -6.84 -1.34 3.38 -1.90 -1.47 115.31 116.13 3nrz h LEU 719 Ca -0.16 -0.18 -0.71 0.00 0.09 0.00 0.00 57.88 56.92 3nrz h LEU 719 Cb 1.11 -0.18 -0.09 0.00 0.09 0.00 0.00 40.66 41.59 3nrz h LEU 719 CO 0.34 0.69 2.42 1.17 0.09 0.00 0.00 178.44 183.15 3nrz n LYS 720 N -4.54 3.17 0.00 1.13 4.81 -1.26 -0.91 118.16 120.57 3nrz n LYS 720 Ca 0.02 -3.14 0.00 0.00 -0.87 0.00 0.00 58.31 54.32 3nrz n LYS 720 Cb 0.16 -3.24 0.00 0.00 0.02 0.00 0.00 35.03 31.97 3nrz n LYS 720 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 3nrz n LYS 721 N 6.24 0.00 -0.04 1.64 4.81 -1.24 -4.87 118.16 124.70 3nrz n LYS 721 Ca 0.47 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.82 3nrz n LYS 721 Cb 0.41 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.43 3nrz n LYS 721 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 3nrz h GLY 722 N 0.00 0.23 1.69 3.14 0.00 -1.02 -2.10 103.07 105.00 3nrz h GLY 722 Ca 0.00 -0.01 -0.15 0.00 0.00 0.00 0.00 47.33 47.17 3nrz h GLY 722 CO 0.00 -0.01 -0.59 0.74 0.00 0.00 0.00 176.54 176.69 3nrz h PHE 723 N 0.12 0.41 0.00 5.60 0.05 -1.28 -2.50 116.94 119.34 3nrz h PHE 723 Ca 0.09 -0.15 -0.00 0.00 3.82 0.00 0.00 57.97 61.73 3nrz h PHE 723 Cb 0.09 -0.07 -0.00 0.00 2.00 0.00 0.00 35.95 37.97 3nrz h PHE 723 CO -0.15 0.83 -0.01 0.66 -0.18 0.00 0.00 178.31 179.47 3nrz h SER 724 N 0.24 0.00 0.51 2.17 4.64 -1.76 -2.88 113.55 116.47 3nrz h SER 724 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3nrz h SER 724 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 3nrz h SER 724 CO 0.10 0.01 -1.13 1.21 -0.87 0.00 0.00 176.83 176.15 3nrz n GLU 725 N -4.41 0.40 -1.88 4.77 4.07 -0.80 -4.97 120.64 117.82 3nrz n GLU 725 Ca -0.03 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.65 3nrz n GLU 725 Cb 0.10 -1.63 -0.03 0.00 -0.06 0.00 0.00 31.44 29.81 3nrz n GLU 725 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3nrz s ALA 726 N -3.27 3.80 0.10 4.31 0.00 -0.97 -4.93 121.76 120.81 3nrz s ALA 726 Ca 0.01 1.44 -0.16 0.00 0.00 0.00 0.00 51.96 53.25 3nrz s ALA 726 Cb 0.13 -3.64 -0.06 0.00 0.00 0.00 0.00 23.12 19.56 3nrz s ALA 726 CO 0.81 -0.83 1.50 -0.44 0.00 0.00 0.00 175.76 176.81 3nrz h ASP 727 N 6.51 0.61 -4.27 0.00 3.32 -1.49 -3.47 116.42 117.63 3nrz h ASP 727 Ca -0.43 -0.36 -0.28 0.00 0.02 0.00 0.00 57.03 55.97 3nrz h ASP 727 Cb 1.21 -0.17 -0.15 0.00 0.22 0.00 0.00 39.33 40.44 3nrz h ASP 727 CO 0.90 0.83 -0.70 0.20 -1.72 0.00 0.00 179.24 178.76 3nrz s ASN 728 N -6.21 1.48 0.05 6.45 0.01 -0.46 -5.00 114.94 111.26 3nrz s ASN 728 Ca -0.13 -1.03 0.04 0.00 -0.71 0.00 0.00 52.86 51.03 3nrz s ASN 728 Cb 0.09 0.04 -0.02 0.00 0.41 0.00 0.00 41.25 41.77 3nrz s ASN 728 CO 0.79 -0.41 -0.11 -0.69 -1.51 0.00 0.00 177.10 175.16 3nrz s VAL 729 N -3.48 0.84 -0.03 1.60 1.01 -1.26 -1.53 120.40 117.55 3nrz s VAL 729 Ca 0.16 -1.04 0.05 0.00 0.00 0.00 0.00 61.98 61.15 3nrz s VAL 729 Cb 0.04 -0.82 -0.01 0.00 0.00 0.00 0.00 36.38 35.59 3nrz s VAL 729 CO -0.01 -0.18 -0.18 -0.69 0.00 0.00 0.00 175.10 174.04 3nrz s VAL 730 N -1.08 1.46 0.09 2.92 1.01 -0.20 -4.99 120.40 119.62 3nrz s VAL 730 Ca -0.03 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.23 3nrz s VAL 730 Cb -0.09 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 3nrz s VAL 730 CO 0.01 0.42 -0.10 -0.94 0.00 0.00 0.00 175.10 174.49 3nrz s SER 731 N -0.11 1.39 0.00 3.32 1.04 -1.26 -0.71 113.70 117.36 3nrz s SER 731 Ca -0.00 -0.82 0.00 0.00 0.48 0.00 0.00 55.95 55.61 3nrz s SER 731 Cb -0.10 0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.04 3nrz s SER 731 CO 0.01 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 174.56 3nrz n GLY 732 N 0.54 -1.26 2.95 7.32 0.00 -0.76 -5.01 105.19 108.97 3nrz n GLY 732 Ca -0.16 -0.86 -0.14 0.00 0.00 0.00 0.00 46.02 44.85 3nrz n GLY 732 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3nrz s GLU 733 N -0.31 0.34 0.00 1.61 2.12 -1.26 -1.57 118.70 119.63 3nrz s GLU 733 Ca 0.00 -0.22 0.00 0.00 0.36 0.00 0.00 54.97 55.11 3nrz s GLU 733 Cb 0.00 -0.29 -0.00 0.00 0.26 0.00 0.00 34.13 34.10 3nrz s GLU 733 CO 0.00 0.07 -0.02 -1.17 -0.54 0.00 0.00 175.26 173.61 3nrz s LEU 734 N -0.30 2.05 -0.02 2.70 2.96 -0.14 -4.97 118.68 120.96 3nrz s LEU 734 Ca -0.00 -0.11 0.07 0.00 -0.22 0.00 0.00 54.13 53.86 3nrz s LEU 734 Cb -0.03 -0.04 -0.02 0.00 0.50 0.00 0.00 46.19 46.60 3nrz s LEU 734 CO -0.00 -0.04 -0.22 -0.47 -1.32 0.00 0.00 176.35 174.30 3nrz s TYR 735 N -0.30 1.93 -0.17 5.38 5.04 -1.26 -0.51 117.35 127.46 3nrz s TYR 735 Ca -0.02 -0.36 0.00 0.00 -2.44 0.00 0.00 57.07 54.25 3nrz s TYR 735 Cb -0.02 -1.24 0.03 0.00 0.35 0.00 0.00 41.96 41.08 3nrz s TYR 735 CO -0.00 -0.03 -0.11 -1.50 -1.34 0.00 0.00 175.55 172.57 3nrz s ILE 736 N -0.51 1.51 0.88 3.14 2.07 0.12 -1.59 121.20 126.81 3nrz s ILE 736 Ca 0.08 -0.76 -0.10 0.00 -1.41 0.00 0.00 60.65 58.46 3nrz s ILE 736 Cb -0.08 -1.52 0.12 0.00 0.13 0.00 0.00 42.46 41.11 3nrz s ILE 736 CO -0.01 0.30 1.13 -0.83 -1.91 0.00 0.00 174.94 173.62 3nrz s GLY 737 N 1.48 1.68 0.00 1.50 0.00 -0.16 -1.59 107.32 110.24 3nrz s GLY 737 Ca 0.02 0.49 0.00 0.00 0.00 0.00 0.00 44.72 45.23 3nrz s GLY 737 CO -0.09 0.89 0.00 0.61 0.00 0.00 0.00 173.10 174.50 3nrz n GLY 738 N -0.21 -1.92 3.64 0.20 0.00 -1.26 -4.66 105.19 100.97 3nrz n GLY 738 Ca 0.11 -1.45 -0.10 0.00 0.00 0.00 0.00 46.02 44.58 3nrz n GLY 738 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3nrz s GLN 739 N -0.37 0.63 0.04 1.61 0.74 -1.25 -4.77 119.66 116.30 3nrz s GLN 739 Ca 0.00 0.81 -0.12 0.00 0.05 0.00 0.00 55.36 56.10 3nrz s GLN 739 Cb 0.00 0.28 -0.06 0.00 1.10 0.00 0.00 33.01 34.33 3nrz s GLN 739 CO 0.00 -0.09 0.41 0.34 -0.55 0.00 0.00 175.29 175.40 3nrz s ASP 740 N 0.53 6.73 0.19 6.67 -1.08 -1.26 -0.97 116.67 127.48 3nrz s ASP 740 Ca -0.00 0.88 -0.10 0.00 -0.52 0.00 0.00 52.55 52.81 3nrz s ASP 740 Cb -0.05 -2.22 0.12 0.00 -1.46 0.00 0.00 42.92 39.31 3nrz s ASP 740 CO -0.06 0.25 1.78 0.45 0.52 0.00 0.00 175.17 178.11 3nrz h HIS 741 N 4.22 0.99 -6.44 -5.34 3.86 -1.95 -3.46 115.15 107.03 3nrz h HIS 741 Ca -0.50 -0.05 -0.51 0.00 -1.16 0.00 0.00 60.37 58.15 3nrz h HIS 741 Cb 1.21 -0.31 -0.14 0.00 1.06 0.00 0.00 27.41 29.23 3nrz h HIS 741 CO 0.69 0.74 -0.77 0.34 0.86 0.00 0.00 177.93 179.79 3nrz n PHE 742 N -4.44 -1.93 -1.67 2.45 7.35 -1.26 -4.93 117.46 113.03 3nrz n PHE 742 Ca 0.05 0.79 -0.43 0.00 -0.76 0.00 0.00 57.45 57.11 3nrz n PHE 742 Cb 0.13 -3.26 -0.01 0.00 0.35 0.00 0.00 39.48 36.70 3nrz n PHE 742 CO 0.00 0.00 0.00 2.48 -0.76 0.00 0.00 176.76 178.48 3nrz n TYR 743 N -4.42 1.99 -0.04 -5.13 0.18 -1.26 -4.89 117.16 103.59 3nrz n TYR 743 Ca 0.06 0.58 -0.05 0.00 1.88 0.00 0.00 57.90 60.37 3nrz n TYR 743 Cb 0.51 -2.37 0.16 0.00 -0.38 0.00 0.00 39.34 37.26 3nrz n TYR 743 CO 0.00 0.00 0.00 -0.07 -2.08 0.00 0.00 176.86 174.71 3nrz h LEU 744 N 2.33 0.63 -8.91 -3.48 -0.00 -1.86 -3.38 115.31 100.64 3nrz h LEU 744 Ca -0.45 -0.20 -0.62 0.00 -0.00 0.00 0.00 57.88 56.61 3nrz h LEU 744 Cb 1.30 -0.17 -0.13 0.00 -0.00 0.00 0.00 40.66 41.66 3nrz h LEU 744 CO 0.62 0.82 0.05 -0.70 -0.00 0.00 0.00 178.44 179.22 3nrz s GLU 745 N -4.63 3.94 1.00 1.13 2.12 -0.69 -5.08 118.70 116.49 3nrz s GLU 745 Ca -0.08 0.25 -0.17 0.00 0.36 0.00 0.00 54.97 55.33 3nrz s GLU 745 Cb 0.14 -3.70 0.24 0.00 0.26 0.00 0.00 34.13 31.06 3nrz s GLU 745 CO 0.81 -0.48 1.16 0.25 -0.54 0.00 0.00 175.26 176.46 3nrz n THR 746 N 5.29 0.00 -2.09 -1.70 -2.24 -1.26 -4.75 114.28 107.53 3nrz n THR 746 Ca -0.03 -0.75 -0.40 0.00 -2.27 0.00 0.00 64.05 60.61 3nrz n THR 746 Cb 0.49 -1.43 -0.01 0.00 -2.10 0.00 0.00 70.33 67.28 3nrz n THR 746 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3nrz s HIS 747 N -3.41 2.88 -0.20 4.78 0.09 -1.26 -4.80 115.29 113.38 3nrz s HIS 747 Ca 0.69 1.43 -0.13 0.00 -0.00 0.00 0.00 55.06 57.04 3nrz s HIS 747 Cb -0.03 -3.64 0.06 0.00 -0.00 0.00 0.00 32.58 28.96 3nrz s HIS 747 CO 0.50 -1.97 0.49 0.00 -0.00 0.00 0.00 174.74 173.76 3nrz s THR 749 N 1.04 0.02 -0.11 0.00 2.01 -0.80 -1.43 115.64 116.36 3nrz s THR 749 Ca -0.06 -0.14 0.02 0.00 0.31 0.00 0.00 61.69 61.82 3nrz s THR 749 Cb -0.06 -0.15 -0.01 0.00 0.01 0.00 0.00 72.50 72.29 3nrz s THR 749 CO -0.09 -0.08 -0.20 -0.63 -0.69 0.00 0.00 174.62 172.93 3nrz s ILE 750 N -0.22 2.46 -0.12 1.82 1.01 -0.26 -1.43 121.20 124.46 3nrz s ILE 750 Ca -0.03 -0.88 0.03 0.00 0.00 0.00 0.00 60.65 59.77 3nrz s ILE 750 Cb -0.02 -1.98 -0.00 0.00 0.01 0.00 0.00 42.46 40.47 3nrz s ILE 750 CO 0.00 0.55 -0.21 0.00 0.00 0.00 0.00 174.94 175.28 3nrz s ALA 751 N 0.31 2.28 -0.32 9.38 0.00 0.20 -0.89 121.76 132.73 3nrz s ALA 751 Ca -0.15 -0.99 -0.02 0.00 0.00 0.00 0.00 51.96 50.80 3nrz s ALA 751 Cb -0.17 -0.95 0.06 0.00 0.00 0.00 0.00 23.12 22.06 3nrz s ALA 751 CO 0.07 0.19 0.03 0.42 0.00 0.00 0.00 175.76 176.47 3nrz s ILE 752 N 0.49 3.05 0.05 0.00 1.01 0.95 -1.43 121.20 125.32 3nrz s ILE 752 Ca -0.14 -1.48 -0.30 0.00 0.00 0.00 0.00 60.65 58.73 3nrz s ILE 752 Cb -0.17 -2.81 -0.04 0.00 0.01 0.00 0.00 42.46 39.45 3nrz s ILE 752 CO 0.05 -0.19 1.02 -2.16 0.00 0.00 0.00 174.94 173.66 3nrz s PRO 753 N 1.24 4.58 0.22 2.79 0.04 -1.26 -1.08 135.00 141.52 3nrz s PRO 753 Ca -0.03 1.51 0.13 0.00 0.04 0.00 0.00 61.00 62.65 3nrz s PRO 753 Cb -0.20 -3.41 -0.02 0.00 0.04 0.00 0.00 34.50 30.91 3nrz s PRO 753 CO -0.01 -0.01 1.37 0.87 0.04 0.00 0.00 177.00 179.26 3nrz h LYS 754 N 6.36 0.00 0.00 4.56 1.79 -1.59 -3.46 116.57 124.22 3nrz h LYS 754 Ca -0.42 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.05 3nrz h LYS 754 Cb 1.22 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.87 3nrz h LYS 754 CO 0.75 0.63 0.00 0.41 -1.08 0.00 0.00 179.45 180.16 3nrz n GLY 755 N 1.27 0.69 3.07 3.86 0.00 -1.26 -5.05 105.19 107.77 3nrz n GLY 755 Ca 0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 3nrz n GLY 755 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3nrz s GLU 756 N -0.62 1.92 -1.43 1.61 2.02 -1.26 -4.87 118.70 116.07 3nrz s GLU 756 Ca 0.00 -0.52 0.00 0.00 0.02 0.00 0.00 54.97 54.47 3nrz s GLU 756 Cb 0.00 -1.57 0.00 0.00 0.10 0.00 0.00 34.13 32.66 3nrz s GLU 756 CO 0.00 0.09 0.00 0.39 0.02 0.00 0.00 175.26 175.76 3nrz n GLU 757 N 3.65 -1.72 -1.01 1.61 -0.58 -1.26 -0.56 120.64 120.77 3nrz n GLU 757 Ca -0.21 0.80 -0.00 0.00 -0.42 0.00 0.00 57.16 57.32 3nrz n GLU 757 Cb 0.52 -5.26 -0.00 0.00 -0.57 0.00 0.00 31.44 26.13 3nrz n GLU 757 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3nrz n GLY 758 N -0.60 0.34 3.76 0.62 0.00 -1.26 -4.96 105.19 103.09 3nrz n GLY 758 Ca -0.17 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 3nrz n GLY 758 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3nrz s GLU 759 N -0.87 4.33 -0.03 1.61 2.02 0.27 -4.82 118.70 121.22 3nrz s GLU 759 Ca 0.00 2.23 -0.03 0.00 0.02 0.00 0.00 54.97 57.19 3nrz s GLU 759 Cb 0.00 -3.09 0.01 0.00 0.10 0.00 0.00 34.13 31.15 3nrz s GLU 759 CO 0.00 -0.25 0.07 1.41 0.02 0.00 0.00 175.26 176.51 3nrz s MET 760 N -1.29 0.08 -0.13 1.61 1.75 -0.64 -1.37 119.30 119.32 3nrz s MET 760 Ca 0.52 0.11 -0.00 0.00 -1.25 0.00 0.00 55.69 55.07 3nrz s MET 760 Cb -0.40 0.03 -0.02 0.00 2.84 0.00 0.00 34.83 37.28 3nrz s MET 760 CO 0.49 -0.02 -0.12 -2.00 -0.65 0.00 0.00 175.02 172.73 3nrz s GLU 761 N 0.09 3.39 -0.05 4.11 2.12 -0.24 -1.04 118.70 127.08 3nrz s GLU 761 Ca -0.00 -0.67 0.06 0.00 0.36 0.00 0.00 54.97 54.72 3nrz s GLU 761 Cb -0.01 -2.65 -0.01 0.00 0.26 0.00 0.00 34.13 31.71 3nrz s GLU 761 CO -0.00 0.23 -0.24 -0.51 -0.54 0.00 0.00 175.26 174.20 3nrz s LEU 762 N 0.30 2.05 -0.23 2.70 1.02 0.31 -0.03 118.68 124.81 3nrz s LEU 762 Ca -0.09 -0.49 -0.06 0.00 0.02 0.00 0.00 54.13 53.51 3nrz s LEU 762 Cb -0.16 -1.32 -0.03 0.00 0.02 0.00 0.00 46.19 44.71 3nrz s LEU 762 CO 0.05 0.25 0.04 -0.36 0.02 0.00 0.00 176.35 176.36 3nrz s PHE 763 N -0.24 3.08 -0.01 0.29 0.40 -0.07 -0.94 117.98 120.49 3nrz s PHE 763 Ca -0.01 -0.42 0.00 0.00 -0.60 0.00 0.00 56.93 55.90 3nrz s PHE 763 Cb -0.13 -2.17 0.01 0.00 0.51 0.00 0.00 43.02 41.24 3nrz s PHE 763 CO 0.03 -0.29 0.01 0.14 0.70 0.00 0.00 175.22 175.80 3nrz s VAL 764 N 1.32 -0.00 -1.14 -0.44 -7.23 -0.95 -1.10 120.40 110.86 3nrz s VAL 764 Ca 0.05 0.08 -0.19 0.00 -1.81 0.00 0.00 61.98 60.11 3nrz s VAL 764 Cb -0.15 -0.06 0.10 0.00 0.56 0.00 0.00 36.38 36.83 3nrz s VAL 764 CO 0.02 0.04 1.49 -0.55 -0.31 0.00 0.00 175.10 175.80 3nrz s SER 765 N 0.44 6.75 0.00 4.85 0.15 -0.51 -4.55 113.70 120.84 3nrz s SER 765 Ca -0.04 -2.21 -0.04 0.00 0.70 0.00 0.00 55.95 54.37 3nrz s SER 765 Cb -0.05 -2.51 -0.01 0.00 -1.71 0.00 0.00 66.02 61.74 3nrz s SER 765 CO -0.01 -1.16 0.06 0.28 1.20 0.00 0.00 173.24 173.61 3nrz s THR 766 N 3.64 0.08 -2.12 6.45 -1.32 -1.26 -4.63 115.64 116.47 3nrz s THR 766 Ca 0.46 -0.67 0.29 0.00 -1.21 0.00 0.00 61.69 60.56 3nrz s THR 766 Cb -0.00 -0.31 0.62 0.00 -1.51 0.00 0.00 72.50 71.30 3nrz s THR 766 CO -0.02 -0.37 1.90 0.00 -2.21 0.00 0.00 174.62 173.93 3nrz n GLN 767 N 1.77 1.21 -3.17 7.08 6.02 0.29 -4.61 117.38 125.96 3nrz n GLN 767 Ca -0.22 -0.49 -0.23 0.00 -0.01 0.00 0.00 57.00 56.06 3nrz n GLN 767 Cb 0.56 -1.49 -0.06 0.00 1.02 0.00 0.00 30.24 30.27 3nrz n GLN 767 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3nrz n ASN 768 N -0.47 -0.31 -0.09 1.08 2.85 -1.24 -0.25 115.26 116.83 3nrz n ASN 768 Ca 0.19 -2.70 0.01 0.00 -0.11 0.00 0.00 54.58 51.97 3nrz n ASN 768 Cb 0.26 -0.34 0.30 0.00 1.24 0.00 0.00 39.78 41.25 3nrz n ASN 768 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3nrz h ALA 769 N 4.28 1.48 -0.11 5.20 0.00 -1.90 -2.18 119.26 126.03 3nrz h ALA 769 Ca 0.08 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3nrz h ALA 769 Cb 0.90 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3nrz h ALA 769 CO 0.42 0.42 -0.04 1.98 0.00 0.00 0.00 179.25 182.03 3nrz h MET 770 N 0.73 -0.02 -0.08 0.00 1.85 -1.93 0.48 114.93 115.97 3nrz h MET 770 Ca 0.19 0.00 -0.15 0.00 -0.61 0.00 0.00 59.70 59.13 3nrz h MET 770 Cb 0.06 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.08 3nrz h MET 770 CO -0.03 -0.01 -0.62 0.87 -0.40 0.00 0.00 176.91 176.72 3nrz h LYS 771 N -0.02 0.28 -0.07 0.39 1.79 -1.85 -1.05 116.57 116.04 3nrz h LYS 771 Ca 0.06 -0.20 0.03 0.00 -2.18 0.00 0.00 60.65 58.37 3nrz h LYS 771 Cb 0.11 0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 30.75 3nrz h LYS 771 CO -0.13 0.81 -0.15 1.15 -1.08 0.00 0.00 179.45 180.05 3nrz h THR 772 N 0.20 0.62 -0.06 -0.16 2.02 -1.16 0.89 112.91 115.25 3nrz h THR 772 Ca -0.01 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.19 3nrz h THR 772 Cb 1.14 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 68.15 3nrz h THR 772 CO 0.10 0.00 -0.03 -0.61 0.37 0.00 0.00 175.52 175.35 3nrz h GLN 773 N -0.21 -0.03 -0.62 6.66 4.15 -0.69 -1.60 115.11 122.79 3nrz h GLN 773 Ca 0.07 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.47 3nrz h GLN 773 Cb 0.31 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.98 3nrz h GLN 773 CO -0.20 -0.02 0.30 0.77 -1.93 0.00 0.00 178.83 177.76 3nrz h SER 774 N -0.03 0.80 0.02 -0.69 0.02 -1.02 -2.06 113.55 110.60 3nrz h SER 774 Ca 0.04 -0.13 -0.19 0.00 -0.84 0.00 0.00 61.79 60.67 3nrz h SER 774 Cb 0.08 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.42 3nrz h SER 774 CO -0.08 0.70 -0.68 -0.26 -1.14 0.00 0.00 176.83 175.37 3nrz h PHE 775 N 0.84 0.80 -0.05 3.45 -1.00 -0.74 -0.56 116.94 119.69 3nrz h PHE 775 Ca 0.21 -0.33 -0.00 0.00 2.81 0.00 0.00 57.97 60.66 3nrz h PHE 775 Cb 0.11 -0.13 -0.00 0.00 3.61 0.00 0.00 35.95 39.53 3nrz h PHE 775 CO -0.00 1.11 0.02 0.28 -1.61 0.00 0.00 178.31 178.11 3nrz h VAL 776 N 0.44 1.15 -0.86 -0.55 2.07 -1.27 -1.62 116.25 115.60 3nrz h VAL 776 Ca -0.02 -0.44 0.03 0.00 0.82 0.00 0.00 66.70 67.09 3nrz h VAL 776 Cb 1.27 1.36 -0.05 0.00 -1.52 0.00 0.00 31.29 32.35 3nrz h VAL 776 CO 0.13 0.12 0.55 0.00 0.02 0.00 0.00 177.57 178.40 3nrz h ALA 777 N 0.84 1.12 -0.29 1.67 0.00 -1.27 -1.30 119.26 120.03 3nrz h ALA 777 Ca 0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3nrz h ALA 777 Cb 0.18 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3nrz h ALA 777 CO -0.00 0.41 0.13 -0.22 0.00 0.00 0.00 179.25 179.56 3nrz h LYS 778 N 1.09 0.43 -0.73 0.00 3.64 -1.04 0.99 116.57 120.95 3nrz h LYS 778 Ca 0.34 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.64 3nrz h LYS 778 Cb -0.02 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.70 3nrz h LYS 778 CO -0.11 0.43 0.45 1.98 -2.27 0.00 0.00 179.45 179.94 3nrz h MET 779 N 0.33 0.98 0.00 1.90 4.05 -0.96 -2.87 114.93 118.36 3nrz h MET 779 Ca 0.10 -0.08 0.00 0.00 -0.28 0.00 0.00 59.70 59.44 3nrz h MET 779 Cb 0.16 -0.21 0.00 0.00 -0.80 0.00 0.00 31.60 30.74 3nrz h MET 779 CO -0.01 0.68 0.00 -0.07 0.23 0.00 0.00 176.91 177.74 3nrz h LEU 780 N 0.99 0.00 -0.29 3.39 3.38 -1.00 0.66 115.31 122.45 3nrz h LEU 780 Ca 0.26 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.06 3nrz h LEU 780 Cb -0.06 0.00 0.04 0.00 0.09 0.00 0.00 40.66 40.73 3nrz h LEU 780 CO -0.05 0.00 -0.27 0.61 0.09 0.00 0.00 178.44 178.81 3nrz n GLY 781 N 0.75 0.22 3.39 0.83 0.00 0.24 -4.01 105.19 106.61 3nrz n GLY 781 Ca 0.03 -0.34 -0.22 0.00 0.00 0.00 0.00 46.02 45.48 3nrz n GLY 781 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3nrz s VAL 782 N -2.94 2.08 0.60 1.61 -7.23 -0.59 -4.97 120.40 108.96 3nrz s VAL 782 Ca 0.18 -2.17 -0.19 0.00 -1.81 0.00 0.00 61.98 57.99 3nrz s VAL 782 Cb -0.08 -2.08 -0.03 0.00 0.56 0.00 0.00 36.38 34.75 3nrz s VAL 782 CO 0.22 -0.39 1.22 -2.84 -0.31 0.00 0.00 175.10 173.00 3nrz s PRO 783 N -3.24 2.91 0.54 4.82 0.02 -1.26 -4.50 135.00 134.29 3nrz s PRO 783 Ca 0.23 1.86 0.22 0.00 0.02 0.00 0.00 61.00 63.33 3nrz s PRO 783 Cb -0.04 -1.92 1.43 0.00 0.02 0.00 0.00 34.50 33.99 3nrz s PRO 783 CO 0.10 -1.26 2.13 0.28 -0.33 0.00 0.00 177.00 177.91 3nrz h VAL 784 N 0.83 0.80 0.00 3.83 2.07 -1.92 -2.24 116.25 119.62 3nrz h VAL 784 Ca -0.51 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.01 3nrz h VAL 784 Cb 1.30 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 3nrz h VAL 784 CO 0.55 0.00 0.00 -0.46 0.02 0.00 0.00 177.57 177.68 3nrz n ASN 785 N -4.30 0.00 0.03 0.57 0.23 -1.26 -2.08 115.26 108.46 3nrz n ASN 785 Ca 0.00 0.34 0.12 0.00 -0.53 0.00 0.00 54.58 54.52 3nrz n ASN 785 Cb 0.23 -0.40 0.30 0.00 -2.08 0.00 0.00 39.78 37.83 3nrz n ASN 785 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3nrz n ARG 786 N -1.40 0.14 -4.12 -3.83 5.12 -0.84 -4.88 116.66 106.85 3nrz n ARG 786 Ca 0.03 0.06 -0.34 0.00 -1.93 0.00 0.00 57.85 55.66 3nrz n ARG 786 Cb 0.08 -1.60 -0.14 0.00 -1.16 0.00 0.00 32.46 29.64 3nrz n ARG 786 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3nrz s ILE 787 N -3.07 3.39 -0.17 0.55 -1.09 -0.88 -1.62 121.20 118.31 3nrz s ILE 787 Ca 0.10 -0.50 -0.03 0.00 -2.23 0.00 0.00 60.65 57.99 3nrz s ILE 787 Cb 0.16 -2.52 -0.02 0.00 -1.58 0.00 0.00 42.46 38.50 3nrz s ILE 787 CO 0.67 0.45 -0.06 -0.22 -1.23 0.00 0.00 174.94 174.55 3nrz s LEU 788 N 1.14 3.02 -0.11 2.97 2.96 -0.20 -4.94 118.68 123.51 3nrz s LEU 788 Ca 0.02 -0.25 0.02 0.00 -0.22 0.00 0.00 54.13 53.69 3nrz s LEU 788 Cb -0.15 -1.73 -0.01 0.00 0.50 0.00 0.00 46.19 44.80 3nrz s LEU 788 CO -0.01 0.11 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.27 3nrz s VAL 789 N 0.69 2.71 -0.07 1.68 1.01 -1.26 -0.53 120.40 124.63 3nrz s VAL 789 Ca -0.03 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.19 3nrz s VAL 789 Cb -0.15 -2.10 0.01 0.00 0.00 0.00 0.00 36.38 34.14 3nrz s VAL 789 CO 0.02 0.54 -0.16 -0.13 0.00 0.00 0.00 175.10 175.37 3nrz s ARG 790 N 0.25 2.03 -0.19 2.72 0.52 -0.11 -1.77 118.95 122.40 3nrz s ARG 790 Ca -0.12 -0.56 -0.00 0.00 -0.52 0.00 0.00 55.73 54.53 3nrz s ARG 790 Cb -0.16 -1.64 0.05 0.00 0.52 0.00 0.00 34.95 33.72 3nrz s ARG 790 CO 0.06 0.11 -0.05 0.08 0.02 0.00 0.00 175.30 175.52 3nrz s VAL 791 N 0.45 1.19 -0.10 3.52 1.01 0.25 -2.24 120.40 124.49 3nrz s VAL 791 Ca -0.13 -0.80 -0.03 0.00 0.00 0.00 0.00 61.98 61.02 3nrz s VAL 791 Cb -0.15 -1.42 -0.02 0.00 0.00 0.00 0.00 36.38 34.78 3nrz s VAL 791 CO 0.05 0.04 0.08 0.50 0.00 0.00 0.00 175.10 175.77 3nrz h LYS 792 N 8.08 -0.01 -2.70 2.72 1.63 -1.84 0.31 116.57 124.76 3nrz h LYS 792 Ca -0.22 0.00 0.04 0.00 -0.85 0.00 0.00 60.65 59.62 3nrz h LYS 792 Cb 1.10 0.00 -0.13 0.00 -0.60 0.00 0.00 32.23 32.61 3nrz h LYS 792 CO 0.40 0.08 0.33 -0.98 -3.45 0.00 0.00 179.45 175.83 3nrz s ARG 793 N -1.66 1.12 0.02 1.90 1.70 -1.26 -4.52 118.95 116.25 3nrz s ARG 793 Ca -0.02 -0.43 0.07 0.00 -0.47 0.00 0.00 55.73 54.88 3nrz s ARG 793 Cb -0.00 0.50 -0.03 0.00 -0.57 0.00 0.00 34.95 34.85 3nrz s ARG 793 CO 0.07 -0.49 -0.19 -1.64 -1.08 0.00 0.00 175.30 171.96 3nrz s MET 794 N -3.50 2.12 -1.48 3.89 -1.94 -0.29 -4.59 119.30 113.51 3nrz s MET 794 Ca 0.03 -0.94 -0.09 0.00 -1.71 0.00 0.00 55.69 52.98 3nrz s MET 794 Cb -0.01 -2.18 -0.08 0.00 2.01 0.00 0.00 34.83 34.57 3nrz s MET 794 CO -0.10 0.55 2.96 0.41 -0.01 0.00 0.00 175.02 178.84 3nrz n GLY 795 N 1.83 4.25 0.00 -0.03 0.00 -1.26 -4.21 105.19 105.77 3nrz n GLY 795 Ca -0.16 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.33 3nrz n GLY 795 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3nrz n GLY 796 N 3.32 1.20 1.99 -0.02 0.00 -1.18 -1.70 105.19 108.81 3nrz n GLY 796 Ca 0.75 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 45.15 3nrz n GLY 796 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3nrz n GLY 797 N 1.34 -0.31 2.36 -0.02 0.00 -1.26 -4.84 105.19 102.46 3nrz n GLY 797 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 3nrz n GLY 797 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3nrz n PHE 798 N -3.45 -0.73 0.00 1.61 3.01 -1.26 -0.89 117.46 115.74 3nrz n PHE 798 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 3nrz n PHE 798 Cb 0.00 -3.23 0.00 0.00 -0.01 0.00 0.00 39.48 36.24 3nrz n PHE 798 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3nrz n GLY 799 N -0.64 3.14 0.08 1.37 0.00 -1.26 -0.82 105.19 107.06 3nrz n GLY 799 Ca -0.19 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.92 3nrz n GLY 799 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3nrz n GLY 800 N -0.79 -1.05 0.48 -0.02 0.00 -0.07 -2.11 105.19 101.62 3nrz n GLY 800 Ca 0.00 0.06 0.09 0.00 0.00 0.00 0.00 46.02 46.17 3nrz n GLY 800 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3nrz n LYS 801 N -1.96 2.12 0.09 1.61 5.02 -1.24 -4.24 118.16 119.55 3nrz n LYS 801 Ca 0.02 -2.70 -0.12 0.00 -2.02 0.00 0.00 58.31 53.48 3nrz n LYS 801 Cb 0.16 -1.67 -0.13 0.00 -0.02 0.00 0.00 35.03 33.37 3nrz n LYS 801 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 3nrz h GLU 802 N 0.90 0.16 0.00 1.97 4.81 -1.77 0.84 114.58 121.50 3nrz h GLU 802 Ca 0.00 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 3nrz h GLU 802 Cb 1.22 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.70 3nrz h GLU 802 CO 0.11 1.13 0.00 0.25 -0.73 0.00 0.00 179.01 179.77 3nrz n THR 803 N -3.46 0.00 0.62 0.32 -2.24 -1.26 -4.48 114.28 103.78 3nrz n THR 803 Ca -0.05 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.85 3nrz n THR 803 Cb 0.99 0.00 0.46 0.00 -2.10 0.00 0.00 70.33 69.68 3nrz n THR 803 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3nrz n ARG 804 N -0.84 0.17 0.23 -0.78 5.12 -1.26 -2.69 116.66 116.61 3nrz n ARG 804 Ca 0.00 0.24 0.16 0.00 -1.93 0.00 0.00 57.85 56.32 3nrz n ARG 804 Cb 0.00 -1.74 0.84 0.00 -1.16 0.00 0.00 32.46 30.40 3nrz n ARG 804 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 3nrz h SER 805 N 0.00 0.00 0.66 0.55 4.64 -1.81 -2.22 113.55 115.37 3nrz h SER 805 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3nrz h SER 805 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 3nrz h SER 805 CO 0.00 0.00 0.00 0.71 -0.87 0.00 0.00 176.83 176.67 3nrz h THR 806 N 0.00 0.00 -0.56 2.95 1.35 -1.89 -2.38 112.91 112.38 3nrz h THR 806 Ca 0.06 -0.30 0.03 0.00 -0.55 0.00 0.00 66.41 65.65 3nrz h THR 806 Cb 0.35 1.20 -0.04 0.00 -1.73 0.00 0.00 68.15 67.94 3nrz h THR 806 CO -0.00 0.00 0.33 -0.07 -0.25 0.00 0.00 175.52 175.53 3nrz h LEU 807 N 0.00 0.54 0.06 3.87 3.38 -1.64 -1.41 115.31 120.11 3nrz h LEU 807 Ca 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 3nrz h LEU 807 Cb 0.33 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 40.98 3nrz h LEU 807 CO 0.00 0.38 -0.38 0.58 0.09 0.00 0.00 178.44 179.11 3nrz h VAL 808 N 0.66 1.64 -0.69 1.22 2.07 -1.66 -3.25 116.25 116.25 3nrz h VAL 808 Ca 0.22 -2.38 0.08 0.00 0.82 0.00 0.00 66.70 65.45 3nrz h VAL 808 Cb 0.02 3.23 -0.06 0.00 -1.52 0.00 0.00 31.29 32.96 3nrz h VAL 808 CO -0.10 0.65 0.36 0.28 0.02 0.00 0.00 177.57 178.78 3nrz h SER 809 N -0.66 0.50 -0.40 0.57 0.02 -1.37 0.15 113.55 112.36 3nrz h SER 809 Ca -0.06 0.05 -0.14 0.00 -0.84 0.00 0.00 61.79 60.80 3nrz h SER 809 Cb 1.27 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.76 3nrz h SER 809 CO 0.07 0.30 -0.29 0.58 -1.14 0.00 0.00 176.83 176.35 3nrz h VAL 810 N 0.64 1.28 -0.39 2.27 2.07 -1.40 -1.15 116.25 119.56 3nrz h VAL 810 Ca 0.33 -1.45 -0.05 0.00 0.82 0.00 0.00 66.70 66.35 3nrz h VAL 810 Cb 0.29 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 3nrz h VAL 810 CO -0.23 0.49 0.06 0.00 0.02 0.00 0.00 177.57 177.91 3nrz h ALA 811 N 0.79 0.52 -0.68 1.67 0.00 -1.42 -1.52 119.26 118.63 3nrz h ALA 811 Ca 0.08 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 3nrz h ALA 811 Cb 0.87 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 3nrz h ALA 811 CO 0.08 0.23 0.18 0.28 0.00 0.00 0.00 179.25 180.02 3nrz h VAL 812 N 0.50 1.26 -0.89 0.00 2.07 -0.92 -1.68 116.25 116.59 3nrz h VAL 812 Ca 0.12 -0.94 -0.00 0.00 0.82 0.00 0.00 66.70 66.70 3nrz h VAL 812 Cb 0.37 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 3nrz h VAL 812 CO 0.01 0.36 0.55 0.00 0.02 0.00 0.00 177.57 178.51 3nrz h ALA 813 N 1.08 1.13 -0.46 1.67 0.00 -1.04 -0.38 119.26 121.25 3nrz h ALA 813 Ca 0.22 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3nrz h ALA 813 Cb 0.36 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3nrz h ALA 813 CO 0.00 0.57 0.14 1.25 0.00 0.00 0.00 179.25 181.21 3nrz h LEU 814 N 1.21 0.68 -0.68 0.00 5.85 -0.88 -0.75 115.31 120.74 3nrz h LEU 814 Ca 0.32 -0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.85 3nrz h LEU 814 Cb -0.08 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.74 3nrz h LEU 814 CO -0.06 0.71 0.44 0.00 -0.34 0.00 0.00 178.44 179.18 3nrz h ALA 815 N 1.00 0.88 -0.52 1.25 0.00 -0.90 -0.21 119.26 120.75 3nrz h ALA 815 Ca 0.15 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3nrz h ALA 815 Cb 0.27 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3nrz h ALA 815 CO -0.00 0.24 0.29 0.00 0.00 0.00 0.00 179.25 179.77 3nrz h ALA 816 N 1.27 0.67 -0.28 0.00 0.00 -0.84 -1.64 119.26 118.45 3nrz h ALA 816 Ca 0.26 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3nrz h ALA 816 Cb -0.04 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3nrz h ALA 816 CO -0.08 0.19 0.18 -0.92 0.00 0.00 0.00 179.25 178.62 3nrz h TYR 817 N 0.70 0.35 -0.19 0.00 3.20 -0.71 0.13 116.97 120.44 3nrz h TYR 817 Ca 0.18 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.96 3nrz h TYR 817 Cb 0.05 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 38.20 3nrz h TYR 817 CO -0.02 0.22 -0.28 -0.22 -1.64 0.00 0.00 178.16 176.23 3nrz h LYS 818 N 0.37 0.53 0.00 1.82 3.11 -0.91 -3.25 116.57 118.24 3nrz h LYS 818 Ca 0.10 -0.31 -0.13 0.00 -2.81 0.00 0.00 60.65 57.50 3nrz h LYS 818 Cb -0.04 0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 31.19 3nrz h LYS 818 CO -0.02 0.91 -0.89 1.79 -2.81 0.00 0.00 179.45 178.42 3nrz h THR 819 N 0.19 0.72 0.00 1.00 1.35 -1.31 -3.48 112.91 111.37 3nrz h THR 819 Ca 0.02 -2.13 0.00 0.00 -0.55 0.00 0.00 66.41 63.75 3nrz h THR 819 Cb 0.85 2.25 0.00 0.00 -1.73 0.00 0.00 68.15 69.52 3nrz h THR 819 CO 0.06 0.41 0.00 0.61 -0.25 0.00 0.00 175.52 176.35 3nrz n GLY 820 N 1.29 0.35 3.85 5.82 0.00 0.45 -5.03 105.19 111.93 3nrz n GLY 820 Ca -0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 3nrz n GLY 820 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3nrz s HIS 821 N -1.88 3.28 0.39 1.61 3.76 -1.24 -4.83 115.29 116.38 3nrz s HIS 821 Ca 0.00 0.06 -0.28 0.00 -0.15 0.00 0.00 55.06 54.69 3nrz s HIS 821 Cb 0.00 -1.59 -0.11 0.00 1.11 0.00 0.00 32.58 31.99 3nrz s HIS 821 CO 0.00 0.52 1.49 -2.14 -0.85 0.00 0.00 174.74 173.77 3nrz s PRO 822 N -2.98 4.05 0.01 8.40 0.02 -1.26 -4.36 135.00 138.88 3nrz s PRO 822 Ca 0.32 2.58 0.03 0.00 0.02 0.00 0.00 61.00 63.95 3nrz s PRO 822 Cb -0.11 -2.93 -0.01 0.00 0.02 0.00 0.00 34.50 31.47 3nrz s PRO 822 CO 0.25 -0.58 -0.09 0.08 -0.33 0.00 0.00 177.00 176.32 3nrz s VAL 823 N -1.13 0.73 0.12 3.83 1.01 -0.51 -0.84 120.40 123.61 3nrz s VAL 823 Ca 0.54 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.93 3nrz s VAL 823 Cb -0.47 -0.66 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 3nrz s VAL 823 CO 0.63 0.04 -0.09 0.00 0.00 0.00 0.00 175.10 175.69 3nrz s ARG 824 N -0.65 0.95 -0.15 2.72 1.70 -0.59 -0.63 118.95 122.30 3nrz s ARG 824 Ca 0.01 -1.35 -0.07 0.00 -0.47 0.00 0.00 55.73 53.84 3nrz s ARG 824 Cb -0.05 -0.49 0.06 0.00 -0.57 0.00 0.00 34.95 33.90 3nrz s ARG 824 CO 0.00 0.05 0.35 0.00 -1.08 0.00 0.00 175.30 174.62 3nrz s MET 826 N 1.71 2.96 0.37 0.00 0.00 -1.26 -1.91 119.30 121.17 3nrz s MET 826 Ca -0.07 -0.77 -0.24 0.00 0.00 0.00 0.00 55.69 54.61 3nrz s MET 826 Cb -0.10 -2.42 -0.10 0.00 0.00 0.00 0.00 34.83 32.21 3nrz s MET 826 CO -0.11 0.34 0.99 -0.51 0.00 0.00 0.00 175.02 175.73 3nrz s LEU 827 N -0.00 4.19 0.58 4.11 1.43 -0.34 -5.01 118.68 123.64 3nrz s LEU 827 Ca -0.06 1.90 -0.16 0.00 -1.03 0.00 0.00 54.13 54.78 3nrz s LEU 827 Cb -0.15 -4.17 -0.04 0.00 0.03 0.00 0.00 46.19 41.87 3nrz s LEU 827 CO 0.05 -0.29 1.06 -1.81 0.23 0.00 0.00 176.35 175.58 3nrz s ASP 828 N -1.67 5.80 0.27 2.29 1.01 -1.26 -4.70 116.67 118.40 3nrz s ASP 828 Ca 0.55 1.86 0.01 0.00 0.71 0.00 0.00 52.55 55.68 3nrz s ASP 828 Cb -0.19 -2.54 0.59 0.00 1.01 0.00 0.00 42.92 41.79 3nrz s ASP 828 CO 0.24 -1.16 1.76 -0.09 0.21 0.00 0.00 175.17 176.13 3nrz h ARG 829 N 0.59 0.61 -0.18 8.23 9.65 -1.96 -1.04 114.38 130.28 3nrz h ARG 829 Ca -0.47 -0.04 -0.13 0.00 -1.10 0.00 0.00 59.98 58.24 3nrz h ARG 829 Cb 1.22 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 29.66 3nrz h ARG 829 CO 0.57 0.40 -0.45 -2.95 2.80 0.00 0.00 179.97 180.35 3nrz h ASN 830 N 0.63 0.47 -0.18 -3.80 -1.07 -1.93 -1.20 115.58 108.51 3nrz h ASN 830 Ca 0.49 -0.22 -0.05 0.00 0.07 0.00 0.00 56.30 56.59 3nrz h ASN 830 Cb 0.74 -0.13 -0.00 0.00 -2.07 0.00 0.00 38.32 36.85 3nrz h ASN 830 CO -0.38 0.86 -0.09 -0.33 0.07 0.00 0.00 177.43 177.56 3nrz h GLU 831 N 0.36 0.38 -0.33 4.14 5.08 -1.72 -2.77 114.58 119.71 3nrz h GLU 831 Ca 0.03 -0.17 0.06 0.00 -1.00 0.00 0.00 59.36 58.28 3nrz h GLU 831 Cb 0.93 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.12 3nrz h GLU 831 CO 0.08 0.69 0.01 0.22 -1.00 0.00 0.00 179.01 179.01 3nrz h ASP 832 N 0.06 -0.11 -0.15 1.42 3.58 -1.00 -1.07 116.42 119.16 3nrz h ASP 832 Ca 0.04 0.07 -0.05 0.00 0.42 0.00 0.00 57.03 57.51 3nrz h ASP 832 Cb 0.58 0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.73 3nrz h ASP 832 CO 0.03 -0.02 -0.04 0.24 -2.88 0.00 0.00 179.24 176.57 3nrz h MET 833 N 0.11 0.42 -0.01 0.28 2.86 -1.23 -2.69 114.93 114.67 3nrz h MET 833 Ca 0.16 -0.09 -0.12 0.00 -2.06 0.00 0.00 59.70 57.60 3nrz h MET 833 Cb 0.21 -0.06 0.01 0.00 0.06 0.00 0.00 31.60 31.82 3nrz h MET 833 CO -0.26 0.48 -0.45 1.25 1.06 0.00 0.00 176.91 178.99 3nrz h LEU 834 N 0.40 0.41 0.12 1.22 5.85 -1.18 -3.41 115.31 118.72 3nrz h LEU 834 Ca 0.09 -0.75 -0.33 0.00 0.84 0.00 0.00 57.88 57.72 3nrz h LEU 834 Cb 0.33 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 3nrz h LEU 834 CO 0.01 1.11 -1.76 0.40 -0.34 0.00 0.00 178.44 177.85 3nrz h ILE 835 N -0.24 0.88 -0.02 4.05 2.04 -1.19 -3.40 117.51 119.62 3nrz h ILE 835 Ca -0.05 -2.57 0.00 0.00 1.00 0.00 0.00 64.86 63.24 3nrz h ILE 835 Cb 1.17 2.62 0.00 0.00 -0.74 0.00 0.00 36.82 39.87 3nrz h ILE 835 CO 0.09 0.81 -0.14 0.35 0.00 0.00 0.00 178.15 179.25 3nrz n THR 836 N -3.43 0.00 0.00 -0.27 -2.24 -1.02 -4.74 114.28 102.58 3nrz n THR 836 Ca -0.24 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 3nrz n THR 836 Cb 1.05 0.98 0.00 0.00 -2.10 0.00 0.00 70.33 70.27 3nrz n THR 836 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3nrz n GLY 837 N 1.31 -1.85 0.00 3.38 0.00 -1.25 -4.84 105.19 101.94 3nrz n GLY 837 Ca 0.14 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.64 3nrz n GLY 837 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3nrz n GLY 838 N -1.68 4.77 3.77 -0.02 0.00 -1.26 -4.73 105.19 106.04 3nrz n GLY 838 Ca 0.00 -1.19 -0.38 0.00 0.00 0.00 0.00 46.02 44.45 3nrz n GLY 838 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3nrz s ARG 839 N 1.29 3.82 -0.06 1.61 3.52 -0.14 -1.11 118.95 127.88 3nrz s ARG 839 Ca 0.00 2.02 -0.30 0.00 -0.13 0.00 0.00 55.73 57.32 3nrz s ARG 839 Cb 0.00 -2.59 -0.05 0.00 -1.56 0.00 0.00 34.95 30.75 3nrz s ARG 839 CO 0.00 -0.57 1.55 -1.01 -0.81 0.00 0.00 175.30 174.46 3nrz s HIS 840 N -1.36 2.30 0.48 5.12 3.76 -1.26 -3.81 115.29 120.53 3nrz s HIS 840 Ca 0.60 0.44 -0.24 0.00 -0.15 0.00 0.00 55.06 55.72 3nrz s HIS 840 Cb -0.35 -3.81 -0.07 0.00 1.11 0.00 0.00 32.58 29.46 3nrz s HIS 840 CO 0.43 -3.26 1.41 -2.14 -0.85 0.00 0.00 174.74 170.34 3nrz s PRO 841 N 3.58 3.49 -0.03 8.40 0.02 -1.26 -4.65 135.00 144.54 3nrz s PRO 841 Ca 0.69 2.37 0.06 0.00 0.02 0.00 0.00 61.00 64.14 3nrz s PRO 841 Cb -0.31 -2.52 -0.01 0.00 0.02 0.00 0.00 34.50 31.68 3nrz s PRO 841 CO 0.27 -0.96 -0.21 -0.06 -0.33 0.00 0.00 177.00 175.70 3nrz s PHE 842 N -1.23 1.98 -0.08 6.54 2.99 -0.62 -0.97 117.98 126.58 3nrz s PHE 842 Ca 0.65 -0.47 0.01 0.00 0.00 0.00 0.00 56.93 57.12 3nrz s PHE 842 Cb -0.43 -1.29 -0.03 0.00 0.00 0.00 0.00 43.02 41.27 3nrz s PHE 842 CO 0.54 -0.10 -0.09 -1.17 -0.00 0.00 0.00 175.22 174.40 3nrz s LEU 843 N -0.31 3.02 -0.01 -0.37 2.96 0.34 -0.70 118.68 123.61 3nrz s LEU 843 Ca 0.03 -0.12 0.04 0.00 -0.22 0.00 0.00 54.13 53.86 3nrz s LEU 843 Cb -0.10 -1.66 -0.01 0.00 0.50 0.00 0.00 46.19 44.92 3nrz s LEU 843 CO 0.01 0.31 -0.11 0.00 -1.32 0.00 0.00 176.35 175.23 3nrz s ALA 844 N -0.47 0.96 -0.13 5.97 0.00 0.33 -0.58 121.76 127.83 3nrz s ALA 844 Ca 0.07 -0.49 0.01 0.00 0.00 0.00 0.00 51.96 51.55 3nrz s ALA 844 Cb -0.12 -0.25 -0.01 0.00 0.00 0.00 0.00 23.12 22.75 3nrz s ALA 844 CO 0.02 0.23 -0.17 1.03 0.00 0.00 0.00 175.76 176.88 3nrz s ARG 845 N -0.25 3.25 0.06 0.00 0.52 -0.31 -0.97 118.95 121.26 3nrz s ARG 845 Ca 0.04 -0.75 0.02 0.00 -0.52 0.00 0.00 55.73 54.52 3nrz s ARG 845 Cb -0.05 -2.54 -0.03 0.00 0.52 0.00 0.00 34.95 32.85 3nrz s ARG 845 CO -0.00 0.15 -0.08 1.52 0.02 0.00 0.00 175.30 176.91 3nrz s TYR 846 N 0.47 0.78 -0.09 -0.53 -0.85 -0.61 -0.60 117.35 115.92 3nrz s TYR 846 Ca -0.12 -0.63 -0.03 0.00 -0.52 0.00 0.00 57.07 55.77 3nrz s TYR 846 Cb -0.16 -0.46 0.05 0.00 0.38 0.00 0.00 41.96 41.77 3nrz s TYR 846 CO 0.05 -0.09 0.14 0.21 -1.52 0.00 0.00 175.55 174.34 3nrz s LYS 847 N -2.32 0.03 -0.06 -3.49 2.20 0.25 -1.83 119.74 114.52 3nrz s LYS 847 Ca -0.02 0.44 0.05 0.00 -0.36 0.00 0.00 55.97 56.08 3nrz s LYS 847 Cb -0.05 -0.53 -0.00 0.00 -1.51 0.00 0.00 37.83 35.74 3nrz s LYS 847 CO -0.01 -0.37 -0.21 0.54 -0.36 0.00 0.00 175.35 174.94 3nrz s VAL 848 N 2.26 1.76 -0.10 4.02 0.11 0.11 -1.01 120.40 127.56 3nrz s VAL 848 Ca 0.04 -0.89 0.01 0.00 -2.93 0.00 0.00 61.98 58.21 3nrz s VAL 848 Cb -0.13 -1.51 -0.02 0.00 -1.53 0.00 0.00 36.38 33.19 3nrz s VAL 848 CO -0.06 0.50 -0.11 -0.83 -3.33 0.00 0.00 175.10 171.27 3nrz s GLY 849 N 0.10 1.60 0.12 6.54 0.00 0.75 -1.03 107.32 115.40 3nrz s GLY 849 Ca -0.08 -0.90 -0.10 0.00 0.00 0.00 0.00 44.72 43.63 3nrz s GLY 849 CO 0.04 -0.45 0.26 -0.11 0.00 0.00 0.00 173.10 172.85 3nrz s PHE 850 N -0.22 0.16 0.48 1.90 -0.12 -0.58 -0.85 117.98 118.74 3nrz s PHE 850 Ca 0.02 -0.56 -0.04 0.00 -0.05 0.00 0.00 56.93 56.30 3nrz s PHE 850 Cb -0.13 0.00 -0.02 0.00 -0.63 0.00 0.00 43.02 42.24 3nrz s PHE 850 CO 0.03 -0.63 0.76 -1.64 -0.05 0.00 0.00 175.22 173.68 3nrz s MET 851 N -3.89 3.36 0.09 1.99 -1.94 0.06 -1.19 119.30 117.78 3nrz s MET 851 Ca 0.08 -0.01 0.11 0.00 -1.71 0.00 0.00 55.69 54.16 3nrz s MET 851 Cb 0.04 -2.42 0.50 0.00 2.01 0.00 0.00 34.83 34.96 3nrz s MET 851 CO -0.08 -0.25 1.34 1.63 -0.01 0.00 0.00 175.02 177.65 3nrz n LYS 852 N -2.22 0.05 0.03 2.03 5.02 -1.26 -0.44 118.16 121.36 3nrz n LYS 852 Ca 0.01 0.44 0.14 0.00 -2.02 0.00 0.00 58.31 56.87 3nrz n LYS 852 Cb 0.56 -1.63 0.53 0.00 -0.02 0.00 0.00 35.03 34.47 3nrz n LYS 852 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3nrz n THR 853 N -1.72 0.17 -0.15 -0.18 -1.04 -1.26 -4.89 114.28 105.20 3nrz n THR 853 Ca 0.01 -0.08 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 3nrz n THR 853 Cb 0.08 -0.47 0.00 0.00 -1.82 0.00 0.00 70.33 68.12 3nrz n THR 853 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3nrz n GLY 854 N 1.44 0.61 3.68 3.41 0.00 0.41 -4.93 105.19 109.82 3nrz n GLY 854 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 3nrz n GLY 854 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3nrz s THR 855 N -2.37 3.71 0.05 2.61 2.01 -1.25 -4.81 115.64 115.59 3nrz s THR 855 Ca 0.00 1.01 -0.30 0.00 0.31 0.00 0.00 61.69 62.70 3nrz s THR 855 Cb 0.00 -3.65 -0.05 0.00 0.01 0.00 0.00 72.50 68.82 3nrz s THR 855 CO 0.00 -0.04 1.06 -0.63 -0.69 0.00 0.00 174.62 174.32 3nrz s ILE 856 N 3.05 4.48 -0.01 1.82 1.09 -1.26 -0.76 121.20 129.60 3nrz s ILE 856 Ca 0.66 1.83 0.03 0.00 -1.10 0.00 0.00 60.65 62.07 3nrz s ILE 856 Cb -0.31 -4.17 -0.05 0.00 -1.06 0.00 0.00 42.46 36.87 3nrz s ILE 856 CO 0.26 0.17 0.05 0.52 -0.10 0.00 0.00 174.94 175.84 3nrz n VAL 857 N 3.66 0.08 -3.66 2.92 0.31 -0.03 -4.58 118.33 117.03 3nrz n VAL 857 Ca 0.06 -0.10 -0.15 0.00 -0.01 0.00 0.00 64.34 64.15 3nrz n VAL 857 Cb 0.49 -0.12 -0.08 0.00 -0.91 0.00 0.00 33.84 33.22 3nrz n VAL 857 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3nrz s ALA 858 N -2.16 -1.32 -0.11 3.52 0.00 -0.94 -3.71 121.76 117.04 3nrz s ALA 858 Ca -0.01 1.13 -0.06 0.00 0.00 0.00 0.00 51.96 53.02 3nrz s ALA 858 Cb 0.02 -0.35 0.05 0.00 0.00 0.00 0.00 23.12 22.83 3nrz s ALA 858 CO 0.13 -0.29 0.26 -1.17 0.00 0.00 0.00 175.76 174.69 3nrz s LEU 859 N -0.61 0.33 -0.10 0.00 2.96 -0.31 -0.18 118.68 120.78 3nrz s LEU 859 Ca -0.07 0.56 0.01 0.00 -0.22 0.00 0.00 54.13 54.41 3nrz s LEU 859 Cb -0.03 0.79 0.02 0.00 0.50 0.00 0.00 46.19 47.47 3nrz s LEU 859 CO 0.05 -0.17 -0.10 -0.70 -1.32 0.00 0.00 176.35 174.10 3nrz s GLU 860 N 1.32 1.66 -0.05 1.98 2.12 -0.18 -0.65 118.70 124.91 3nrz s GLU 860 Ca -0.09 -0.34 0.01 0.00 0.36 0.00 0.00 54.97 54.90 3nrz s GLU 860 Cb -0.10 -1.56 0.02 0.00 0.26 0.00 0.00 34.13 32.76 3nrz s GLU 860 CO -0.09 -0.14 -0.03 0.08 -0.54 0.00 0.00 175.26 174.53 3nrz s VAL 861 N 1.26 0.49 -0.23 3.70 1.01 -0.13 -0.58 120.40 125.92 3nrz s VAL 861 Ca -0.03 -0.07 -0.05 0.00 0.00 0.00 0.00 61.98 61.83 3nrz s VAL 861 Cb -0.14 -0.54 -0.02 0.00 0.00 0.00 0.00 36.38 35.68 3nrz s VAL 861 CO -0.04 0.23 0.01 -1.81 0.00 0.00 0.00 175.10 173.49 3nrz s ASP 862 N 1.11 4.70 -0.01 3.32 1.01 0.23 -1.12 116.67 125.90 3nrz s ASP 862 Ca -0.08 -0.30 -0.01 0.00 0.71 0.00 0.00 52.55 52.87 3nrz s ASP 862 Cb -0.14 -1.83 -0.04 0.00 1.01 0.00 0.00 42.92 41.93 3nrz s ASP 862 CO -0.01 -0.02 0.09 -1.00 0.21 0.00 0.00 175.17 174.44 3nrz s HIS 863 N 1.51 3.32 -0.04 4.23 3.76 0.33 -1.16 115.29 127.25 3nrz s HIS 863 Ca 0.06 0.23 0.00 0.00 -0.15 0.00 0.00 55.06 55.20 3nrz s HIS 863 Cb -0.15 -1.75 0.03 0.00 1.11 0.00 0.00 32.58 31.81 3nrz s HIS 863 CO 0.00 0.57 -0.01 0.71 -0.85 0.00 0.00 174.74 175.15 3nrz s TYR 864 N -1.20 0.51 0.02 1.40 1.51 0.25 -1.10 117.35 118.75 3nrz s TYR 864 Ca 0.23 -0.09 0.04 0.00 -1.01 0.00 0.00 57.07 56.23 3nrz s TYR 864 Cb -0.12 -0.56 -0.04 0.00 -0.11 0.00 0.00 41.96 41.13 3nrz s TYR 864 CO 0.14 -0.18 -0.05 -1.54 -1.11 0.00 0.00 175.55 172.80 3nrz s SER 865 N 1.17 4.72 -0.68 2.29 1.04 -0.58 -0.50 113.70 121.16 3nrz s SER 865 Ca -0.07 -0.16 -0.21 0.00 0.48 0.00 0.00 55.95 55.99 3nrz s SER 865 Cb -0.14 -1.10 0.09 0.00 0.10 0.00 0.00 66.02 64.97 3nrz s SER 865 CO -0.02 0.26 0.92 0.21 0.98 0.00 0.00 173.24 175.59 3nrz s ASN 866 N -1.64 6.25 0.33 7.02 3.84 -0.15 -0.63 114.94 129.97 3nrz s ASN 866 Ca 0.19 -1.28 0.19 0.00 0.21 0.00 0.00 52.86 52.17 3nrz s ASN 866 Cb -0.11 -2.38 0.17 0.00 -0.55 0.00 0.00 41.25 38.37 3nrz s ASN 866 CO 0.10 -1.29 1.47 0.00 -2.79 0.00 0.00 177.10 174.58 3nrz h ALA 867 N 9.34 0.80 -0.05 1.71 0.00 -1.65 -3.39 119.26 126.03 3nrz h ALA 867 Ca -0.22 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3nrz h ALA 867 Cb 1.07 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3nrz h ALA 867 CO 1.15 0.34 0.00 0.41 0.00 0.00 0.00 179.25 181.15 3nrz n GLY 868 N 1.18 -0.86 0.69 0.00 0.00 -1.22 -1.60 105.19 103.38 3nrz n GLY 868 Ca 0.02 -1.19 0.08 0.00 0.00 0.00 0.00 46.02 44.93 3nrz n GLY 868 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3nrz n ASN 869 N 0.33 2.03 -3.91 1.61 6.94 0.46 -2.44 115.26 120.28 3nrz n ASN 869 Ca 0.00 -1.91 -0.09 0.00 -0.02 0.00 0.00 54.58 52.56 3nrz n ASN 869 Cb 0.00 -0.21 -0.06 0.00 -2.36 0.00 0.00 39.78 37.15 3nrz n ASN 869 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 3nrz s SER 870 N -1.20 -0.08 -0.01 0.53 1.04 -1.26 -4.94 113.70 107.78 3nrz s SER 870 Ca 0.29 -0.78 -0.24 0.00 0.48 0.00 0.00 55.95 55.69 3nrz s SER 870 Cb 0.15 0.51 -0.18 0.00 0.10 0.00 0.00 66.02 66.61 3nrz s SER 870 CO 0.21 -1.00 1.20 0.03 0.98 0.00 0.00 173.24 174.66 3nrz h ARG 871 N 2.37 -0.21 0.00 4.02 3.08 -1.89 -3.45 114.38 118.31 3nrz h ARG 871 Ca -0.29 0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.77 3nrz h ARG 871 Cb 1.24 0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.34 3nrz h ARG 871 CO 0.42 0.18 0.00 -3.47 -1.07 0.00 0.00 179.97 176.03 3nrz n ASP 872 N -4.99 0.00 -0.91 7.04 -0.08 -1.26 -1.69 116.55 114.65 3nrz n ASP 872 Ca -0.09 0.00 0.07 0.00 -1.51 0.00 0.00 54.79 53.26 3nrz n ASP 872 Cb 0.25 0.00 0.21 0.00 2.34 0.00 0.00 41.12 43.91 3nrz n ASP 872 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 3nrz n LEU 873 N 0.00 2.63 -0.15 -2.67 4.77 -1.26 -4.60 117.00 115.73 3nrz n LEU 873 Ca 0.00 -1.32 0.05 0.00 -0.03 0.00 0.00 56.01 54.71 3nrz n LEU 873 Cb 0.00 -0.35 0.35 0.00 -2.33 0.00 0.00 43.42 41.09 3nrz n LEU 873 CO 0.00 0.58 1.21 0.28 -1.33 0.00 0.00 177.39 178.13 3nrz h SER 874 N 2.59 0.65 -0.14 -1.43 0.02 -1.60 -1.45 113.55 112.19 3nrz h SER 874 Ca 0.00 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 3nrz h SER 874 Cb 0.73 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 63.12 3nrz h SER 874 CO 0.05 0.44 -0.01 -0.74 -1.14 0.00 0.00 176.83 175.43 3nrz h HIS 875 N 0.75 0.29 -0.67 3.45 -0.00 -1.81 -1.75 115.15 115.41 3nrz h HIS 875 Ca 0.27 -0.05 -0.03 0.00 -0.00 0.00 0.00 60.37 60.56 3nrz h HIS 875 Cb 0.14 -0.07 -0.03 0.00 -0.00 0.00 0.00 27.41 27.45 3nrz h HIS 875 CO -0.00 0.50 0.30 0.77 -0.00 0.00 0.00 177.93 179.51 3nrz h SER 876 N -0.01 0.87 -0.57 3.26 0.02 -1.79 -1.27 113.55 114.06 3nrz h SER 876 Ca 0.04 -0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 60.85 3nrz h SER 876 Cb 0.40 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 3nrz h SER 876 CO 0.01 0.75 0.19 0.40 -1.14 0.00 0.00 176.83 177.04 3nrz h ILE 877 N 0.95 1.24 -0.61 3.27 2.04 -1.16 -0.80 117.51 122.44 3nrz h ILE 877 Ca 0.23 -0.78 -0.06 0.00 1.00 0.00 0.00 64.86 65.25 3nrz h ILE 877 Cb 0.13 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 3nrz h ILE 877 CO -0.03 0.30 0.14 -0.03 0.00 0.00 0.00 178.15 178.52 3nrz h MET 878 N 0.79 0.96 -0.15 2.37 4.05 -0.99 -0.97 114.93 120.99 3nrz h MET 878 Ca 0.18 -0.22 0.01 0.00 -0.28 0.00 0.00 59.70 59.40 3nrz h MET 878 Cb 0.26 -0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 30.91 3nrz h MET 878 CO -0.01 0.86 0.05 0.93 0.23 0.00 0.00 176.91 178.98 3nrz h GLU 879 N 0.92 0.12 -0.85 0.39 5.08 -0.82 -0.86 114.58 118.56 3nrz h GLU 879 Ca 0.19 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.56 3nrz h GLU 879 Cb 0.35 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 3nrz h GLU 879 CO 0.00 0.08 0.56 -0.09 -1.00 0.00 0.00 179.01 178.56 3nrz h ARG 880 N 0.12 1.11 -0.35 2.33 2.43 -0.97 -0.47 114.38 118.58 3nrz h ARG 880 Ca 0.07 -0.07 0.05 0.00 -0.81 0.00 0.00 59.98 59.22 3nrz h ARG 880 Cb 0.04 -0.25 -0.05 0.00 -0.42 0.00 0.00 29.97 29.29 3nrz h ARG 880 CO -0.07 0.74 0.05 0.00 -1.51 0.00 0.00 179.97 179.18 3nrz h ALA 881 N 1.31 0.36 -0.77 2.80 0.00 -0.86 -2.35 119.26 119.75 3nrz h ALA 881 Ca 0.31 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.27 3nrz h ALA 881 Cb -0.12 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3nrz h ALA 881 CO -0.07 -0.35 0.38 -0.07 0.00 0.00 0.00 179.25 179.14 3nrz h LEU 882 N 0.17 0.99 -2.17 0.00 3.38 -0.45 -1.25 115.31 115.98 3nrz h LEU 882 Ca 0.17 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3nrz h LEU 882 Cb 0.20 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3nrz h LEU 882 CO -0.23 0.83 0.00 -0.26 0.09 0.00 0.00 178.44 178.87 3nrz h PHE 883 N 1.10 0.00 -0.29 1.13 0.05 -0.75 -3.17 116.94 115.01 3nrz h PHE 883 Ca 0.27 0.00 0.00 0.00 3.82 0.00 0.00 57.97 62.06 3nrz h PHE 883 Cb 0.09 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.04 3nrz h PHE 883 CO 0.01 0.00 0.00 0.72 -0.18 0.00 0.00 178.31 178.86 3nrz n HIS 884 N -3.08 0.38 0.47 -0.55 8.25 -0.51 -4.64 115.22 115.53 3nrz n HIS 884 Ca -0.01 -0.41 0.06 0.00 -0.26 0.00 0.00 57.72 57.10 3nrz n HIS 884 Cb 0.20 -0.02 0.29 0.00 1.12 0.00 0.00 29.99 31.57 3nrz n HIS 884 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3nrz n MET 885 N 0.54 0.01 0.15 -0.41 0.00 -0.96 -2.20 117.12 114.26 3nrz n MET 885 Ca 0.11 0.26 0.12 0.00 0.00 0.00 0.00 57.70 58.19 3nrz n MET 885 Cb 0.40 -1.50 0.07 0.00 0.00 0.00 0.00 33.22 32.19 3nrz n MET 885 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 175.97 176.35 3nrz h ASP 886 N 0.00 0.00 0.00 3.17 2.03 -1.85 -3.42 116.42 116.35 3nrz h ASP 886 Ca 0.00 -0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3nrz h ASP 886 Cb 0.22 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.72 3nrz h ASP 886 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 179.24 175.01 3nrz n ASN 887 N -2.86 0.00 -1.42 4.15 5.15 -0.93 -1.39 115.26 117.96 3nrz n ASN 887 Ca 0.02 0.00 -0.01 0.00 -0.60 0.00 0.00 54.58 53.98 3nrz n ASN 887 Cb 0.54 0.00 0.26 0.00 -0.53 0.00 0.00 39.78 40.05 3nrz n ASN 887 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3nrz s TYR 889 N -3.02 2.83 -0.25 0.00 4.12 -0.48 -1.17 117.35 119.37 3nrz s TYR 889 Ca 0.48 -0.39 -0.27 0.00 0.02 0.00 0.00 57.07 56.91 3nrz s TYR 889 Cb 0.40 -1.79 0.00 0.00 -1.52 0.00 0.00 41.96 39.06 3nrz s TYR 889 CO 0.08 -0.02 0.95 0.21 0.02 0.00 0.00 175.55 176.79 3nrz s LYS 890 N -0.07 4.20 -0.24 -0.62 2.47 0.40 -4.79 119.74 121.09 3nrz s LYS 890 Ca -0.02 1.14 -0.00 0.00 -1.56 0.00 0.00 55.97 55.53 3nrz s LYS 890 Cb -0.14 -3.65 0.07 0.00 -1.46 0.00 0.00 37.83 32.65 3nrz s LYS 890 CO 0.03 -0.61 -0.01 0.42 0.16 0.00 0.00 175.35 175.34 3nrz s ILE 891 N 3.09 1.25 0.39 5.43 1.01 -1.26 -4.84 121.20 126.27 3nrz s ILE 891 Ca 0.40 -1.15 0.06 0.00 0.00 0.00 0.00 60.65 59.96 3nrz s ILE 891 Cb -0.15 -1.65 0.26 0.00 0.01 0.00 0.00 42.46 40.94 3nrz s ILE 891 CO 0.08 -0.23 2.04 1.55 0.00 0.00 0.00 174.94 178.38 3nrz h PRO 892 N 8.02 0.62 -3.98 2.79 0.13 -1.81 -3.41 132.00 134.37 3nrz h PRO 892 Ca -0.16 -0.04 -0.53 0.00 -0.87 0.00 0.00 66.00 64.40 3nrz h PRO 892 Cb 1.07 -0.14 -0.38 0.00 0.13 0.00 0.00 31.00 31.68 3nrz h PRO 892 CO 0.41 0.42 -0.78 -0.80 -0.23 0.00 0.00 178.00 177.01 3nrz s ASN 893 N -6.63 2.62 -0.13 1.44 0.01 -1.24 -3.85 114.94 107.16 3nrz s ASN 893 Ca -0.09 -0.59 -0.11 0.00 -0.71 0.00 0.00 52.86 51.37 3nrz s ASN 893 Cb 0.17 -0.78 0.04 0.00 0.41 0.00 0.00 41.25 41.09 3nrz s ASN 893 CO 0.74 -0.21 0.33 -0.51 -1.51 0.00 0.00 177.10 175.94 3nrz s ILE 894 N 1.73 -0.01 -0.06 0.60 2.07 0.04 -1.17 121.20 124.41 3nrz s ILE 894 Ca 0.01 0.03 -0.02 0.00 -1.41 0.00 0.00 60.65 59.26 3nrz s ILE 894 Cb -0.15 -0.47 0.03 0.00 0.13 0.00 0.00 42.46 42.00 3nrz s ILE 894 CO -0.07 0.01 0.05 -0.60 -1.91 0.00 0.00 174.94 172.41 3nrz s ARG 895 N 0.42 0.12 -0.06 3.50 3.52 0.18 -1.13 118.95 125.49 3nrz s ARG 895 Ca -0.02 0.28 0.05 0.00 -0.13 0.00 0.00 55.73 55.91 3nrz s ARG 895 Cb -0.04 -0.70 -0.00 0.00 -1.56 0.00 0.00 34.95 32.64 3nrz s ARG 895 CO -0.02 -0.34 -0.22 0.20 -0.81 0.00 0.00 175.30 174.11 3nrz s GLY 896 N 2.11 1.17 0.18 8.12 0.00 -0.24 -0.95 107.32 117.71 3nrz s GLY 896 Ca 0.05 -0.90 0.08 0.00 0.00 0.00 0.00 44.72 43.95 3nrz s GLY 896 CO -0.04 -0.46 -0.16 -0.51 0.00 0.00 0.00 173.10 171.93 3nrz s THR 897 N 0.05 1.72 -0.01 0.90 -4.23 -0.28 -1.29 115.64 112.50 3nrz s THR 897 Ca -0.08 -2.01 -0.01 0.00 -1.18 0.00 0.00 61.69 58.42 3nrz s THR 897 Cb -0.14 -1.88 0.00 0.00 1.34 0.00 0.00 72.50 71.82 3nrz s THR 897 CO 0.04 -0.44 0.02 -0.83 -0.54 0.00 0.00 174.62 172.87 3nrz s GLY 898 N -2.91 -0.01 0.07 3.99 0.00 -0.08 -0.51 107.32 107.88 3nrz s GLY 898 Ca 0.18 0.08 0.08 0.00 0.00 0.00 0.00 44.72 45.06 3nrz s GLY 898 CO 0.06 0.11 -0.22 0.50 0.00 0.00 0.00 173.10 173.55 3nrz s ARG 899 N 0.10 1.34 -0.31 2.90 1.81 -0.26 -1.69 118.95 122.83 3nrz s ARG 899 Ca -0.01 -1.07 -0.08 0.00 -1.72 0.00 0.00 55.73 52.85 3nrz s ARG 899 Cb -0.01 -1.55 0.00 0.00 -0.45 0.00 0.00 34.95 32.95 3nrz s ARG 899 CO -0.00 0.38 0.12 -0.51 -0.68 0.00 0.00 175.30 174.61 3nrz s LEU 900 N -1.52 4.02 -0.15 2.53 1.43 -1.26 -1.52 118.68 122.21 3nrz s LEU 900 Ca 0.08 -0.67 -0.29 0.00 -1.03 0.00 0.00 54.13 52.22 3nrz s LEU 900 Cb -0.09 -1.94 -0.00 0.00 0.03 0.00 0.00 46.19 44.18 3nrz s LEU 900 CO 0.03 -0.21 1.03 0.00 0.23 0.00 0.00 176.35 177.43 3nrz s LYS 902 N 2.50 3.77 0.23 0.00 2.20 -0.05 -1.68 119.74 126.71 3nrz s LYS 902 Ca 0.47 0.25 0.01 0.00 -0.36 0.00 0.00 55.97 56.34 3nrz s LYS 902 Cb -0.17 -3.79 -0.05 0.00 -1.51 0.00 0.00 37.83 32.31 3nrz s LYS 902 CO 0.13 -0.75 0.08 0.95 -0.36 0.00 0.00 175.35 175.40 3nrz s THR 903 N 2.88 0.49 -1.15 3.43 -4.23 -1.02 -4.73 115.64 111.30 3nrz s THR 903 Ca 0.28 -1.99 -0.05 0.00 -1.18 0.00 0.00 61.69 58.75 3nrz s THR 903 Cb -0.14 -2.48 0.11 0.00 1.34 0.00 0.00 72.50 71.32 3nrz s THR 903 CO 0.15 -0.12 2.46 0.59 -0.54 0.00 0.00 174.62 177.16 3nrz n ASN 904 N -0.37 7.74 -4.20 3.99 3.02 0.18 -2.39 115.26 123.23 3nrz n ASN 904 Ca -0.01 -3.16 -0.13 0.00 -0.03 0.00 0.00 54.58 51.25 3nrz n ASN 904 Cb 0.65 -1.34 -0.10 0.00 -0.61 0.00 0.00 39.78 38.39 3nrz n ASN 904 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3nrz s LEU 905 N -2.16 2.48 0.24 3.41 1.43 -1.26 -4.43 118.68 118.40 3nrz s LEU 905 Ca 0.55 -0.94 -0.30 0.00 -1.03 0.00 0.00 54.13 52.41 3nrz s LEU 905 Cb 0.22 -0.26 -0.14 0.00 0.03 0.00 0.00 46.19 46.04 3nrz s LEU 905 CO -0.12 -0.34 1.20 -1.20 0.23 0.00 0.00 176.35 176.12 3nrz n SER 906 N 0.12 1.88 -4.68 2.29 7.64 -1.26 -0.41 113.62 119.21 3nrz n SER 906 Ca -0.13 1.16 -0.42 0.00 1.01 0.00 0.00 58.87 60.49 3nrz n SER 906 Cb 0.60 -1.33 -0.03 0.00 -1.01 0.00 0.00 64.21 62.44 3nrz n SER 906 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 3nrz n SER 907 N 1.71 4.10 -4.89 6.43 2.88 -1.26 -4.40 113.62 118.19 3nrz n SER 907 Ca 0.11 0.96 -0.29 0.00 -1.33 0.00 0.00 58.87 58.32 3nrz n SER 907 Cb 0.30 -1.54 0.02 0.00 -0.75 0.00 0.00 64.21 62.24 3nrz n SER 907 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 3nrz s ASN 908 N 3.34 5.90 0.00 -3.46 0.01 -0.63 -3.87 114.94 116.24 3nrz s ASN 908 Ca 0.84 1.13 0.00 0.00 -0.71 0.00 0.00 52.86 54.13 3nrz s ASN 908 Cb -0.46 -2.14 0.00 0.00 0.41 0.00 0.00 41.25 39.05 3nrz s ASN 908 CO 0.39 -0.99 0.00 1.07 -1.51 0.00 0.00 177.10 176.06 3nrz n THR 909 N -2.71 0.00 -2.16 1.60 5.66 -0.27 -4.61 114.28 111.79 3nrz n THR 909 Ca 0.05 0.00 -0.40 0.00 -3.05 0.00 0.00 64.05 60.66 3nrz n THR 909 Cb 0.56 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.32 3nrz n THR 909 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3nrz s ALA 910 N -1.49 3.31 -0.16 1.79 0.00 -1.26 -4.39 121.76 119.56 3nrz s ALA 910 Ca 0.00 1.15 -0.08 0.00 0.00 0.00 0.00 51.96 53.03 3nrz s ALA 910 Cb 0.00 -3.45 0.06 0.00 0.00 0.00 0.00 23.12 19.74 3nrz s ALA 910 CO 0.00 -0.65 0.38 0.12 0.00 0.00 0.00 175.76 175.61 3nrz s PHE 911 N -1.26 -0.58 0.00 0.00 5.99 -1.26 -3.27 117.98 117.61 3nrz s PHE 911 Ca 0.54 1.23 0.00 0.00 0.00 0.00 0.00 56.93 58.69 3nrz s PHE 911 Cb -0.36 0.22 0.00 0.00 0.00 0.00 0.00 43.02 42.88 3nrz s PHE 911 CO 0.47 -0.35 0.00 -2.13 -0.00 0.00 0.00 175.22 173.21 3nrz n ARG 912 N 4.51 0.00 0.00 10.12 0.63 -0.00 -0.24 116.66 131.68 3nrz n ARG 912 Ca -0.20 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.73 3nrz n ARG 912 Cb 0.54 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.45 3nrz n ARG 912 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3nrz n GLY 913 N 0.00 2.51 3.50 5.14 0.00 -1.26 -4.92 105.19 110.16 3nrz n GLY 913 Ca 0.00 -0.86 -0.18 0.00 0.00 0.00 0.00 46.02 44.97 3nrz n GLY 913 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3nrz n PHE 914 N 0.00 -2.13 0.00 1.61 7.35 0.67 -1.67 117.46 123.28 3nrz n PHE 914 Ca 0.00 0.89 0.00 0.00 -0.76 0.00 0.00 57.45 57.58 3nrz n PHE 914 Cb 0.00 -4.76 0.00 0.00 0.35 0.00 0.00 39.48 35.07 3nrz n PHE 914 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3nrz n GLY 915 N -1.28 3.19 0.13 7.13 0.00 -1.26 -4.46 105.19 108.65 3nrz n GLY 915 Ca -0.27 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.62 3nrz n GLY 915 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3nrz h GLY 916 N 0.00 -0.27 1.03 -0.02 0.00 -1.57 -2.38 103.07 99.87 3nrz h GLY 916 Ca 0.00 0.10 0.01 0.00 0.00 0.00 0.00 47.33 47.44 3nrz h GLY 916 CO 0.00 -0.10 0.65 -2.55 0.00 0.00 0.00 176.54 174.54 3nrz h PRO 917 N -0.26 1.30 -0.12 4.80 0.11 -1.91 0.11 132.00 136.03 3nrz h PRO 917 Ca -0.03 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 66.00 3nrz h PRO 917 Cb 0.20 -0.29 -0.01 0.00 0.11 0.00 0.00 31.00 31.01 3nrz h PRO 917 CO 0.04 0.86 0.08 1.96 -0.21 0.00 0.00 178.00 180.74 3nrz h GLN 918 N 1.33 0.16 -0.57 1.05 7.50 -1.93 -0.11 115.11 122.55 3nrz h GLN 918 Ca 0.36 -0.01 -0.11 0.00 0.50 0.00 0.00 58.65 59.39 3nrz h GLN 918 Cb -0.15 -0.04 -0.02 0.00 0.05 0.00 0.00 27.48 27.33 3nrz h GLN 918 CO -0.08 0.11 -0.06 0.00 -1.50 0.00 0.00 178.83 177.30 3nrz h ALA 919 N 1.04 0.77 -0.56 3.87 0.00 -0.88 -2.34 119.26 121.17 3nrz h ALA 919 Ca 0.04 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.51 3nrz h ALA 919 Cb -0.02 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3nrz h ALA 919 CO -0.01 0.65 -0.09 -0.07 0.00 0.00 0.00 179.25 179.73 3nrz h LEU 920 N 0.93 1.03 -0.55 0.00 3.38 -0.71 -2.08 115.31 117.32 3nrz h LEU 920 Ca 0.15 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3nrz h LEU 920 Cb 0.62 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 3nrz h LEU 920 CO 0.04 1.13 0.36 0.15 0.09 0.00 0.00 178.44 180.21 3nrz h PHE 921 N 0.93 0.70 -0.53 1.13 3.57 -0.91 -0.12 116.94 121.71 3nrz h PHE 921 Ca 0.15 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.66 3nrz h PHE 921 Cb 0.66 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 39.14 3nrz h PHE 921 CO 0.04 0.45 0.32 0.82 -2.23 0.00 0.00 178.31 177.71 3nrz h ILE 922 N 0.75 1.16 -0.30 1.41 2.04 -1.31 -0.52 117.51 120.74 3nrz h ILE 922 Ca 0.20 -0.37 -0.02 0.00 1.00 0.00 0.00 64.86 65.67 3nrz h ILE 922 Cb -0.08 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 3nrz h ILE 922 CO -0.04 0.17 0.11 0.00 0.00 0.00 0.00 178.15 178.38 3nrz h ALA 923 N 1.15 0.39 -0.04 1.87 0.00 -0.94 -2.60 119.26 119.09 3nrz h ALA 923 Ca 0.19 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3nrz h ALA 923 Cb -0.01 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3nrz h ALA 923 CO -0.04 -0.00 -0.16 0.93 0.00 0.00 0.00 179.25 179.98 3nrz h GLU 924 N 0.32 0.06 -0.04 0.00 4.39 -0.84 -1.19 114.58 117.27 3nrz h GLU 924 Ca 0.10 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 3nrz h GLU 924 Cb 0.21 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.85 3nrz h GLU 924 CO -0.01 0.22 0.01 -0.97 -1.16 0.00 0.00 179.01 177.11 3nrz h ASN 925 N 0.06 0.06 0.46 1.42 -1.24 -0.73 -0.80 115.58 114.81 3nrz h ASN 925 Ca 0.01 -0.20 -0.14 0.00 0.71 0.00 0.00 56.30 56.68 3nrz h ASN 925 Cb 0.32 -0.02 -0.01 0.00 0.73 0.00 0.00 38.32 39.34 3nrz h ASN 925 CO 0.02 0.24 -0.63 4.11 -1.29 0.00 0.00 177.43 179.89 3nrz h TRP 926 N -0.12 0.20 -0.69 0.67 5.08 -1.26 -2.36 115.95 117.47 3nrz h TRP 926 Ca 0.01 -0.08 0.01 0.00 1.08 0.00 0.00 58.89 59.91 3nrz h TRP 926 Cb 0.20 -0.03 -0.03 0.00 -3.00 0.00 0.00 29.16 26.29 3nrz h TRP 926 CO -0.01 0.74 0.45 1.98 -1.28 0.00 0.00 178.44 180.32 3nrz h MET 927 N 0.11 0.90 -0.43 0.12 4.05 -1.14 -0.24 114.93 118.32 3nrz h MET 927 Ca -0.01 -0.06 -0.02 0.00 -0.28 0.00 0.00 59.70 59.33 3nrz h MET 927 Cb 1.13 -0.20 -0.02 0.00 -0.80 0.00 0.00 31.60 31.70 3nrz h MET 927 CO 0.09 0.60 0.18 0.66 0.23 0.00 0.00 176.91 178.67 3nrz h SER 928 N 0.93 0.54 0.86 1.39 4.64 -0.84 -2.48 113.55 118.59 3nrz h SER 928 Ca 0.25 -0.05 -0.19 0.00 -0.47 0.00 0.00 61.79 61.32 3nrz h SER 928 Cb -0.10 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 61.83 3nrz h SER 928 CO -0.05 0.49 -0.91 -0.33 -0.87 0.00 0.00 176.83 175.15 3nrz h GLU 929 N 0.60 0.03 -0.18 4.77 5.08 -0.82 -2.63 114.58 121.43 3nrz h GLU 929 Ca 0.15 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3nrz h GLU 929 Cb 0.11 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 3nrz h GLU 929 CO -0.02 0.92 0.10 0.28 -1.00 0.00 0.00 179.01 179.29 3nrz h VAL 930 N 0.01 1.09 -0.33 3.13 2.07 -0.72 -1.30 116.25 120.20 3nrz h VAL 930 Ca -0.02 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.25 3nrz h VAL 930 Cb 1.60 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 32.30 3nrz h VAL 930 CO 0.12 0.09 0.20 0.00 0.02 0.00 0.00 177.57 178.00 3nrz h ALA 931 N 1.00 0.43 -0.40 1.67 0.00 -1.38 -0.94 119.26 119.63 3nrz h ALA 931 Ca 0.06 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.93 3nrz h ALA 931 Cb 0.06 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3nrz h ALA 931 CO -0.01 -0.07 0.25 0.28 0.00 0.00 0.00 179.25 179.69 3nrz h VAL 932 N 0.43 1.06 -0.89 0.00 2.07 -1.46 0.29 116.25 117.75 3nrz h VAL 932 Ca 0.12 -0.17 0.01 0.00 0.82 0.00 0.00 66.70 67.48 3nrz h VAL 932 Cb 0.01 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.25 3nrz h VAL 932 CO -0.02 0.09 0.58 0.74 0.02 0.00 0.00 177.57 178.98 3nrz h THR 933 N 0.50 1.23 0.00 2.57 2.02 -1.00 -1.96 112.91 116.27 3nrz h THR 933 Ca 0.16 -0.43 0.00 0.00 0.77 0.00 0.00 66.41 66.91 3nrz h THR 933 Cb -0.01 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.32 3nrz h THR 933 CO -0.06 0.22 -0.04 0.00 0.37 0.00 0.00 175.52 176.01 3nrz n GLY 935 N 1.47 -0.08 3.68 0.00 0.00 -0.03 -5.02 105.19 105.22 3nrz n GLY 935 Ca 0.07 -0.35 -0.28 0.00 0.00 0.00 0.00 46.02 45.46 3nrz n GLY 935 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3nrz s LEU 936 N -3.65 3.41 0.20 0.99 1.43 -0.49 -5.02 118.68 115.55 3nrz s LEU 936 Ca 0.00 -0.29 -0.32 0.00 -1.03 0.00 0.00 54.13 52.49 3nrz s LEU 936 Cb 0.00 -2.09 -0.12 0.00 0.03 0.00 0.00 46.19 44.02 3nrz s LEU 936 CO 0.00 0.12 1.69 -2.84 0.23 0.00 0.00 176.35 175.55 3nrz s PRO 937 N -2.71 4.14 0.24 1.29 0.02 -1.26 -4.44 135.00 132.28 3nrz s PRO 937 Ca 0.27 2.56 -0.04 0.00 0.02 0.00 0.00 61.00 63.80 3nrz s PRO 937 Cb -0.10 -3.09 0.46 0.00 0.02 0.00 0.00 34.50 31.79 3nrz s PRO 937 CO 0.19 -0.72 1.71 0.00 -0.33 0.00 0.00 177.00 177.85 3nrz h ALA 938 N 6.71 1.02 -0.46 -1.55 0.00 -1.96 -1.10 119.26 121.92 3nrz h ALA 938 Ca -0.43 0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.65 3nrz h ALA 938 Cb 1.20 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 3nrz h ALA 938 CO 0.94 -0.26 0.30 0.93 0.00 0.00 0.00 179.25 181.16 3nrz h GLU 939 N 0.37 0.49 -0.22 0.00 3.07 -1.91 -1.20 114.58 115.18 3nrz h GLU 939 Ca 0.41 -0.03 -0.10 0.00 -0.50 0.00 0.00 59.36 59.15 3nrz h GLU 939 Cb 0.66 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 28.46 3nrz h GLU 939 CO -0.44 0.32 -0.24 1.49 -1.40 0.00 0.00 179.01 178.74 3nrz h GLU 940 N 0.50 0.56 -0.31 2.33 4.81 -1.59 -1.79 114.58 119.09 3nrz h GLU 940 Ca 0.18 -0.30 -0.05 0.00 -0.13 0.00 0.00 59.36 59.06 3nrz h GLU 940 Cb 0.11 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 3nrz h GLU 940 CO -0.05 0.89 0.00 0.28 -0.73 0.00 0.00 179.01 179.41 3nrz h VAL 941 N 0.25 1.26 -0.50 0.32 2.07 -1.09 -0.90 116.25 117.65 3nrz h VAL 941 Ca 0.03 -0.93 -0.01 0.00 0.82 0.00 0.00 66.70 66.61 3nrz h VAL 941 Cb 0.80 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 3nrz h VAL 941 CO 0.06 0.30 0.29 0.03 0.02 0.00 0.00 177.57 178.28 3nrz h ARG 942 N 0.34 0.69 -0.43 1.57 3.08 -1.29 -2.75 114.38 115.60 3nrz h ARG 942 Ca 0.09 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 3nrz h ARG 942 Cb 0.43 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 3nrz h ARG 942 CO 0.01 0.52 0.23 2.35 -1.07 0.00 0.00 179.97 182.01 3nrz h TRP 943 N 0.67 0.60 -0.50 3.04 2.91 -1.21 -2.72 115.95 118.74 3nrz h TRP 943 Ca 0.18 -0.02 0.08 0.00 1.13 0.00 0.00 58.89 60.26 3nrz h TRP 943 Cb 0.01 -0.19 -0.03 0.00 -0.51 0.00 0.00 29.16 28.44 3nrz h TRP 943 CO -0.02 0.46 0.34 0.87 -1.03 0.00 0.00 178.44 179.06 3nrz h LYS 944 N 0.56 0.35 -0.32 2.65 1.57 -1.06 -2.86 116.57 117.45 3nrz h LYS 944 Ca 0.15 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 3nrz h LYS 944 Cb 0.07 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3nrz h LYS 944 CO -0.02 0.23 0.00 0.09 -0.57 0.00 0.00 179.45 179.18 3nrz n ASN 945 N -4.47 3.29 -4.77 0.86 3.02 -1.05 -4.99 115.26 107.16 3nrz n ASN 945 Ca 0.07 -1.96 -0.40 0.00 -0.03 0.00 0.00 54.58 52.27 3nrz n ASN 945 Cb 0.31 -0.20 -0.03 0.00 -0.61 0.00 0.00 39.78 39.25 3nrz n ASN 945 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 3nrz s MET 946 N -1.49 4.37 0.90 3.52 1.75 -1.05 -0.46 119.30 126.84 3nrz s MET 946 Ca 0.35 1.96 -0.13 0.00 -1.25 0.00 0.00 55.69 56.62 3nrz s MET 946 Cb 0.21 -2.99 0.04 0.00 2.84 0.00 0.00 34.83 34.93 3nrz s MET 946 CO 0.30 -0.09 0.57 0.66 -0.65 0.00 0.00 175.02 175.81 3nrz n TYR 947 N 0.72 -0.88 -4.24 4.11 4.02 -0.32 -4.58 117.16 115.99 3nrz n TYR 947 Ca 0.01 0.28 -0.25 0.00 -0.01 0.00 0.00 57.90 57.93 3nrz n TYR 947 Cb 0.44 -1.85 -0.07 0.00 -0.02 0.00 0.00 39.34 37.84 3nrz n TYR 947 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 3nrz s LYS 948 N -3.65 2.39 0.10 -0.72 -0.14 -1.26 -4.97 119.74 111.48 3nrz s LYS 948 Ca 0.61 -1.23 -0.36 0.00 -1.36 0.00 0.00 55.97 53.62 3nrz s LYS 948 Cb -0.24 -2.29 -0.17 0.00 -1.68 0.00 0.00 37.83 33.45 3nrz s LYS 948 CO 0.64 0.41 1.26 -1.91 -0.76 0.00 0.00 175.35 174.99 3nrz n GLU 949 N -0.52 1.00 0.00 1.68 4.07 -1.26 -1.42 120.64 124.19 3nrz n GLU 949 Ca -0.08 0.36 0.00 0.00 -0.06 0.00 0.00 57.16 57.38 3nrz n GLU 949 Cb 0.57 -1.95 0.00 0.00 -0.06 0.00 0.00 31.44 30.00 3nrz n GLU 949 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3nrz n GLY 950 N 2.29 2.07 3.72 8.31 0.00 -0.29 -5.03 105.19 116.25 3nrz n GLY 950 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 3nrz n GLY 950 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3nrz s ASP 951 N -2.31 4.25 -0.01 1.61 1.01 -0.51 -4.51 116.67 116.20 3nrz s ASP 951 Ca 0.00 2.56 -0.14 0.00 0.71 0.00 0.00 52.55 55.67 3nrz s ASP 951 Cb 0.00 -2.61 -0.06 0.00 1.01 0.00 0.00 42.92 41.26 3nrz s ASP 951 CO 0.00 -2.24 0.39 -0.76 0.21 0.00 0.00 175.17 172.78 3nrz s LEU 952 N -4.80 4.46 1.15 1.23 1.43 -1.26 -0.46 118.68 120.42 3nrz s LEU 952 Ca 0.80 0.92 -0.17 0.00 -1.03 0.00 0.00 54.13 54.65 3nrz s LEU 952 Cb -0.35 -2.56 0.26 0.00 0.03 0.00 0.00 46.19 43.57 3nrz s LEU 952 CO 0.43 0.31 1.10 0.42 0.23 0.00 0.00 176.35 178.84 3nrz s THR 953 N -0.96 1.72 0.32 5.49 -4.23 -0.36 -4.85 115.64 112.78 3nrz s THR 953 Ca 0.23 0.00 0.37 0.00 -1.18 0.00 0.00 61.69 61.11 3nrz s THR 953 Cb -0.16 -2.47 0.38 0.00 1.34 0.00 0.00 72.50 71.59 3nrz s THR 953 CO 0.13 0.00 2.12 1.12 -0.54 0.00 0.00 174.62 177.45 3nrz h HIS 954 N -2.41 0.00 -0.42 3.99 2.07 -1.91 -0.26 115.15 116.21 3nrz h HIS 954 Ca -0.48 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.04 3nrz h HIS 954 Cb 1.31 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.29 3nrz h HIS 954 CO -1.37 0.00 0.00 1.97 -3.07 0.00 0.00 177.93 175.46 3nrz n PHE 955 N -2.86 1.53 -2.20 6.12 1.16 -1.26 -4.65 117.46 115.30 3nrz n PHE 955 Ca -0.02 -0.80 -0.14 0.00 -1.87 0.00 0.00 57.45 54.63 3nrz n PHE 955 Cb 0.11 -0.41 -0.01 0.00 -1.61 0.00 0.00 39.48 37.56 3nrz n PHE 955 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 3nrz n ASN 956 N 0.08 -4.26 -4.78 5.98 3.02 -0.11 -4.53 115.26 110.66 3nrz n ASN 956 Ca 0.25 0.01 -0.36 0.00 -0.03 0.00 0.00 54.58 54.45 3nrz n ASN 956 Cb 1.05 -3.40 -0.07 0.00 -0.61 0.00 0.00 39.78 36.75 3nrz n ASN 956 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 3nrz s GLN 957 N -4.58 3.79 0.23 3.52 0.74 -1.26 -4.81 119.66 117.29 3nrz s GLN 957 Ca 0.00 -0.20 -0.30 0.00 0.05 0.00 0.00 55.36 54.91 3nrz s GLN 957 Cb 0.00 -3.27 -0.09 0.00 1.10 0.00 0.00 33.01 30.75 3nrz s GLN 957 CO 0.00 0.53 1.35 0.50 -0.55 0.00 0.00 175.29 177.12 3nrz s ARG 958 N -0.30 4.34 -0.89 1.67 6.06 -1.26 -1.22 118.95 127.35 3nrz s ARG 958 Ca 0.11 2.16 -0.17 0.00 -2.50 0.00 0.00 55.73 55.33 3nrz s ARG 958 Cb -0.12 -3.15 0.16 0.00 0.06 0.00 0.00 34.95 31.90 3nrz s ARG 958 CO 0.01 -0.30 1.01 -0.51 -2.50 0.00 0.00 175.30 173.01 3nrz s LEU 959 N -0.43 5.60 -0.16 -0.88 1.43 0.39 -4.94 118.68 119.68 3nrz s LEU 959 Ca 0.57 -2.24 -0.17 0.00 -1.03 0.00 0.00 54.13 51.25 3nrz s LEU 959 Cb -0.39 -2.34 -0.04 0.00 0.03 0.00 0.00 46.19 43.45 3nrz s LEU 959 CO 0.42 -0.91 0.44 -1.61 0.23 0.00 0.00 176.35 174.92 3nrz s GLU 960 N 1.89 4.27 -0.65 1.70 2.02 -1.26 -1.13 118.70 125.53 3nrz s GLU 960 Ca 0.28 0.33 -0.01 0.00 0.02 0.00 0.00 54.97 55.59 3nrz s GLU 960 Cb -0.07 -3.48 0.00 0.00 0.10 0.00 0.00 34.13 30.69 3nrz s GLU 960 CO -0.09 0.07 0.54 0.41 0.02 0.00 0.00 175.26 176.22 3nrz n GLY 961 N 3.54 0.06 3.60 -1.39 0.00 -1.26 -4.92 105.19 104.82 3nrz n GLY 961 Ca -0.08 -0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 3nrz n GLY 961 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3nrz s PHE 962 N -3.18 2.54 -1.01 1.61 5.36 -1.26 -4.90 117.98 117.14 3nrz s PHE 962 Ca 0.07 0.65 0.12 0.00 -0.96 0.00 0.00 56.93 56.80 3nrz s PHE 962 Cb -0.03 -4.38 0.33 0.00 -0.34 0.00 0.00 43.02 38.59 3nrz s PHE 962 CO 0.38 -1.71 1.27 -1.13 -1.46 0.00 0.00 175.22 172.58 3nrz n SER 963 N 8.56 3.00 -0.22 6.13 3.41 -1.26 -4.56 113.62 128.68 3nrz n SER 963 Ca 0.14 -2.00 -0.03 0.00 -0.26 0.00 0.00 58.87 56.72 3nrz n SER 963 Cb 0.49 -0.25 0.08 0.00 -0.26 0.00 0.00 64.21 64.26 3nrz n SER 963 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3nrz h VAL 964 N 2.20 1.01 -0.94 -3.33 2.07 -1.94 -1.24 116.25 114.09 3nrz h VAL 964 Ca 0.00 -0.24 0.14 0.00 0.82 0.00 0.00 66.70 67.42 3nrz h VAL 964 Cb 0.75 0.25 -0.09 0.00 -1.52 0.00 0.00 31.29 30.68 3nrz h VAL 964 CO 0.00 0.13 0.56 -0.65 0.02 0.00 0.00 177.57 177.62 3nrz h PRO 965 N 0.70 0.80 -0.21 1.57 0.11 -1.94 0.33 132.00 133.37 3nrz h PRO 965 Ca 0.27 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.31 3nrz h PRO 965 Cb 0.11 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.03 3nrz h PRO 965 CO -0.14 0.53 0.05 0.00 -0.21 0.00 0.00 178.00 178.22 3nrz h ARG 966 N 0.83 0.34 -0.76 1.05 3.08 -1.75 -1.49 114.38 115.69 3nrz h ARG 966 Ca 0.49 -0.09 0.05 0.00 0.07 0.00 0.00 59.98 60.50 3nrz h ARG 966 Cb 0.59 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.54 3nrz h ARG 966 CO -0.31 0.47 0.46 0.00 -1.07 0.00 0.00 179.97 179.53 3nrz h TRP 968 N 0.87 -0.49 -0.55 0.00 2.91 -0.29 0.13 115.95 118.54 3nrz h TRP 968 Ca 0.32 -0.01 -0.05 0.00 1.13 0.00 0.00 58.89 60.27 3nrz h TRP 968 Cb 0.10 0.16 -0.03 0.00 -0.51 0.00 0.00 29.16 28.89 3nrz h TRP 968 CO -0.04 -0.23 0.12 -0.44 -1.03 0.00 0.00 178.44 176.82 3nrz h ASP 969 N -0.67 0.79 -0.23 2.65 3.32 -1.23 0.77 116.42 121.83 3nrz h ASP 969 Ca -0.05 -0.15 -0.17 0.00 0.02 0.00 0.00 57.03 56.68 3nrz h ASP 969 Cb 0.48 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.82 3nrz h ASP 969 CO 0.09 0.78 -0.50 -0.08 -1.72 0.00 0.00 179.24 177.81 3nrz h GLU 970 N 0.82 0.81 -0.45 3.56 4.81 -1.22 -1.55 114.58 121.36 3nrz h GLU 970 Ca 0.18 -0.49 -0.12 0.00 -0.13 0.00 0.00 59.36 58.80 3nrz h GLU 970 Cb 0.31 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 3nrz h GLU 970 CO 0.00 1.12 -0.19 0.00 -0.73 0.00 0.00 179.01 179.21 3nrz h LEU 972 N 0.77 0.69 0.05 0.00 3.38 -0.80 -1.44 115.31 117.96 3nrz h LEU 972 Ca 0.11 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 3nrz h LEU 972 Cb 0.75 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3nrz h LEU 972 CO 0.06 0.49 -0.02 0.50 0.09 0.00 0.00 178.44 179.55 3nrz h LYS 973 N 0.82 -0.07 0.00 1.13 3.64 -1.21 -2.46 116.57 118.43 3nrz h LYS 973 Ca 0.26 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.62 3nrz h LYS 973 Cb -0.02 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3nrz h LYS 973 CO -0.09 0.32 -0.10 0.66 -2.27 0.00 0.00 179.45 177.97 3nrz h SER 974 N -0.46 0.00 0.52 4.20 4.64 -1.13 -2.76 113.55 118.55 3nrz h SER 974 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3nrz h SER 974 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3nrz h SER 974 CO 0.01 0.10 -0.51 -1.54 -0.87 0.00 0.00 176.83 174.03 3nrz n SER 975 N -3.13 0.50 -3.70 4.97 3.41 -0.55 -4.95 113.62 110.17 3nrz n SER 975 Ca 0.03 -0.22 -0.22 0.00 -0.26 0.00 0.00 58.87 58.20 3nrz n SER 975 Cb 0.56 0.24 0.04 0.00 -0.26 0.00 0.00 64.21 64.79 3nrz n SER 975 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3nrz n GLN 976 N -1.53 -5.37 -0.04 4.33 6.02 -1.04 -4.84 117.38 114.91 3nrz n GLN 976 Ca 0.05 0.65 -0.08 0.00 -0.01 0.00 0.00 57.00 57.61 3nrz n GLN 976 Cb 0.34 -5.35 -0.02 0.00 1.02 0.00 0.00 30.24 26.23 3nrz n GLN 976 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 3nrz h TYR 977 N -1.95 -0.20 -0.57 1.08 3.20 -1.73 -1.52 116.97 115.28 3nrz h TYR 977 Ca -0.60 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.21 3nrz h TYR 977 Cb 1.36 0.12 -0.02 0.00 1.54 0.00 0.00 36.73 39.72 3nrz h TYR 977 CO 0.48 -0.13 0.05 1.88 -1.64 0.00 0.00 178.16 178.80 3nrz h TYR 978 N -0.05 1.00 -0.23 -3.82 -1.99 -1.91 0.12 116.97 110.09 3nrz h TYR 978 Ca 0.11 -0.14 -0.03 0.00 2.00 0.00 0.00 58.73 60.67 3nrz h TYR 978 Cb 0.21 -0.27 -0.01 0.00 2.00 0.00 0.00 36.73 38.66 3nrz h TYR 978 CO -0.25 0.87 0.04 0.00 -0.00 0.00 0.00 178.16 178.83 3nrz h ALA 979 N 1.17 0.31 0.00 3.88 0.00 -1.89 -3.00 119.26 119.73 3nrz h ALA 979 Ca 0.17 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3nrz h ALA 979 Cb 0.44 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3nrz h ALA 979 CO 0.02 -0.01 -0.36 0.00 0.00 0.00 0.00 179.25 178.89 3nrz h ARG 980 N 0.19 0.00 -0.74 0.00 3.08 -1.05 -2.60 114.38 113.26 3nrz h ARG 980 Ca 0.07 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 3nrz h ARG 980 Cb 0.32 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.34 3nrz h ARG 980 CO 0.00 0.36 0.37 -0.22 -1.07 0.00 0.00 179.97 179.41 3nrz h LYS 981 N 0.00 1.05 -0.39 0.04 3.64 -0.68 -0.38 116.57 119.85 3nrz h LYS 981 Ca -0.00 -0.14 -0.04 0.00 -1.27 0.00 0.00 60.65 59.20 3nrz h LYS 981 Cb 0.68 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.29 3nrz h LYS 981 CO 0.05 0.80 0.09 0.77 -2.27 0.00 0.00 179.45 178.89 3nrz h SER 982 N 1.04 0.59 -1.01 4.20 0.02 -1.35 -2.46 113.55 114.58 3nrz h SER 982 Ca 0.26 -0.23 0.05 0.00 -0.84 0.00 0.00 61.79 61.03 3nrz h SER 982 Cb 0.08 -0.16 -0.06 0.00 0.14 0.00 0.00 62.40 62.41 3nrz h SER 982 CO -0.04 0.67 0.65 -0.33 -1.14 0.00 0.00 176.83 176.65 3nrz h GLU 983 N 0.48 1.18 -0.32 3.45 5.08 -1.07 -0.37 114.58 123.01 3nrz h GLU 983 Ca 0.12 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 3nrz h GLU 983 Cb 0.31 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 3nrz h GLU 983 CO 0.00 0.78 0.12 0.28 -1.00 0.00 0.00 179.01 179.19 3nrz h VAL 984 N 1.22 1.19 -0.41 3.13 2.07 -0.93 0.16 116.25 122.68 3nrz h VAL 984 Ca 0.42 -0.59 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 3nrz h VAL 984 Cb 0.10 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 3nrz h VAL 984 CO -0.15 0.20 0.20 0.44 0.02 0.00 0.00 177.57 178.28 3nrz h ASP 985 N 0.37 0.53 -0.24 0.57 3.32 -0.96 -0.89 116.42 119.12 3nrz h ASP 985 Ca 0.11 -0.13 0.04 0.00 0.02 0.00 0.00 57.03 57.06 3nrz h ASP 985 Cb 0.20 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 3nrz h ASP 985 CO -0.01 0.51 0.02 0.50 -1.72 0.00 0.00 179.24 178.54 3nrz h LYS 986 N 0.52 0.10 -0.87 3.56 3.64 -0.96 -2.26 116.57 120.30 3nrz h LYS 986 Ca 0.14 -0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.62 3nrz h LYS 986 Cb 0.12 -0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 31.84 3nrz h LYS 986 CO -0.02 0.06 0.51 0.35 -2.27 0.00 0.00 179.45 178.08 3nrz h PHE 987 N 0.10 0.92 0.00 1.91 3.57 -0.55 -1.99 116.94 120.90 3nrz h PHE 987 Ca 0.11 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.64 3nrz h PHE 987 Cb 0.13 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.59 3nrz h PHE 987 CO -0.18 0.37 0.00 -0.91 -2.23 0.00 0.00 178.31 175.36 3nrz h ASN 988 N 0.83 0.00 0.65 0.41 2.35 -0.77 -2.04 115.58 117.02 3nrz h ASN 988 Ca 0.42 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.94 3nrz h ASN 988 Cb 0.40 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.73 3nrz h ASN 988 CO -0.26 0.00 -1.49 0.11 -1.65 0.00 0.00 177.43 174.14 3nrz h LYS 989 N 0.00 0.00 0.00 0.81 1.57 -0.80 -3.35 116.57 114.79 3nrz h LYS 989 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3nrz h LYS 989 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.94 3nrz h LYS 989 CO 0.00 0.46 -0.70 0.39 -0.57 0.00 0.00 179.45 179.03 3nrz n GLU 990 N -3.02 0.16 -4.76 3.15 1.02 -1.00 -4.91 120.64 111.28 3nrz n GLU 990 Ca -0.12 0.02 -0.30 0.00 -0.02 0.00 0.00 57.16 56.74 3nrz n GLU 990 Cb 0.95 -1.58 -0.14 0.00 -0.02 0.00 0.00 31.44 30.66 3nrz n GLU 990 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3nrz s ASN 991 N -3.60 3.28 -0.17 1.62 0.01 -0.79 -5.05 114.94 110.24 3nrz s ASN 991 Ca 0.08 -0.61 -0.02 0.00 -0.71 0.00 0.00 52.86 51.60 3nrz s ASN 991 Cb 0.15 -0.31 -0.10 0.00 0.41 0.00 0.00 41.25 41.40 3nrz s ASN 991 CO 0.74 0.24 -0.17 0.00 -1.51 0.00 0.00 177.10 176.40 3nrz n TRP 993 N -3.23 0.14 -4.76 0.00 7.02 -1.26 -4.90 117.44 110.44 3nrz n TRP 993 Ca -0.31 -0.18 -0.24 0.00 -1.02 0.00 0.00 57.50 55.74 3nrz n TRP 993 Cb 0.80 -0.01 -0.15 0.00 -2.42 0.00 0.00 31.31 29.52 3nrz n TRP 993 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 3nrz s LYS 994 N -0.84 1.36 0.06 -0.99 1.02 -1.26 -1.50 119.74 117.60 3nrz s LYS 994 Ca 0.13 -0.57 0.03 0.00 0.02 0.00 0.00 55.97 55.58 3nrz s LYS 994 Cb 0.08 -1.29 -0.03 0.00 -0.52 0.00 0.00 37.83 36.07 3nrz s LYS 994 CO 0.12 0.33 -0.09 0.15 -0.92 0.00 0.00 175.35 174.93 3nrz s LYS 995 N -0.31 0.67 0.17 1.68 -0.14 -0.86 -4.74 119.74 116.21 3nrz s LYS 995 Ca 0.05 -0.93 0.08 0.00 -1.36 0.00 0.00 55.97 53.81 3nrz s LYS 995 Cb -0.07 -0.41 -0.04 0.00 -1.68 0.00 0.00 37.83 35.63 3nrz s LYS 995 CO -0.00 0.07 -0.08 1.03 -0.76 0.00 0.00 175.35 175.61 3nrz s ARG 996 N -2.10 2.14 0.03 1.68 0.52 -1.26 -0.16 118.95 119.81 3nrz s ARG 996 Ca -0.03 -1.19 0.02 0.00 -0.52 0.00 0.00 55.73 54.00 3nrz s ARG 996 Cb -0.07 -2.23 -0.02 0.00 0.52 0.00 0.00 34.95 33.15 3nrz s ARG 996 CO 0.00 0.45 -0.06 0.20 0.02 0.00 0.00 175.30 175.91 3nrz s GLY 997 N -2.74 0.42 -0.04 -3.53 0.00 -0.67 -4.09 107.32 96.67 3nrz s GLY 997 Ca 0.25 -0.68 -0.02 0.00 0.00 0.00 0.00 44.72 44.26 3nrz s GLY 997 CO 0.16 -0.73 0.10 -2.27 0.00 0.00 0.00 173.10 170.35 3nrz s LEU 998 N -1.44 1.17 -0.04 0.66 2.96 -1.26 -1.62 118.68 119.10 3nrz s LEU 998 Ca -0.10 0.20 -0.11 0.00 -0.22 0.00 0.00 54.13 53.89 3nrz s LEU 998 Cb -0.09 0.25 0.02 0.00 0.50 0.00 0.00 46.19 46.86 3nrz s LEU 998 CO 0.00 -0.10 0.25 0.00 -1.32 0.00 0.00 176.35 175.18 3nrz s ILE 1000N -0.84 1.64 -0.01 0.00 2.07 -1.26 -1.33 121.20 121.47 3nrz s ILE 1000Ca -0.09 -0.77 0.02 0.00 -1.41 0.00 0.00 60.65 58.40 3nrz s ILE 1000Cb -0.05 -1.45 -0.00 0.00 0.13 0.00 0.00 42.46 41.09 3nrz s ILE 1000CO 0.02 0.47 -0.07 -0.63 -1.91 0.00 0.00 174.94 172.82 3nrz s ILE 1001N 0.53 0.55 0.27 2.00 1.01 -0.29 -4.89 121.20 120.39 3nrz s ILE 1001Ca -0.16 -0.27 0.03 0.00 0.00 0.00 0.00 60.65 60.25 3nrz s ILE 1001Cb -0.17 -0.48 -0.03 0.00 0.01 0.00 0.00 42.46 41.79 3nrz s ILE 1001CO 0.06 0.17 0.42 -2.16 0.00 0.00 0.00 174.94 173.42 3nrz s PRO 1002N 0.00 3.46 0.03 2.79 0.04 -1.26 -1.53 135.00 138.52 3nrz s PRO 1002Ca 0.00 -0.61 -0.05 0.00 0.04 0.00 0.00 61.00 60.38 3nrz s PRO 1002Cb -0.05 -2.82 -0.01 0.00 0.04 0.00 0.00 34.50 31.66 3nrz s PRO 1002CO -0.00 0.35 0.08 -0.08 0.04 0.00 0.00 177.00 177.38 3nrz s THR 1003N -2.07 0.12 0.02 1.26 -1.32 0.30 -4.84 115.64 109.11 3nrz s THR 1003Ca 0.36 -1.02 0.03 0.00 -1.21 0.00 0.00 61.69 59.85 3nrz s THR 1003Cb -0.09 -0.73 -0.01 0.00 -1.51 0.00 0.00 72.50 70.15 3nrz s THR 1003CO 0.31 -0.56 -0.09 -1.59 -2.21 0.00 0.00 174.62 170.48 3nrz s LYS 1004N -2.24 0.67 -0.04 7.08 -2.85 -1.26 -2.18 119.74 118.92 3nrz s LYS 1004Ca -0.08 -0.52 -0.01 0.00 -1.00 0.00 0.00 55.97 54.37 3nrz s LYS 1004Cb -0.03 -0.61 0.03 0.00 -2.06 0.00 0.00 37.83 35.16 3nrz s LYS 1004CO -0.03 0.15 0.02 0.12 0.10 0.00 0.00 175.35 175.71 3nrz s PHE 1005N -0.65 0.28 0.10 1.78 5.36 -0.02 -4.97 117.98 119.86 3nrz s PHE 1005Ca -0.01 0.06 -0.30 0.00 -0.96 0.00 0.00 56.93 55.72 3nrz s PHE 1005Cb -0.06 -0.50 -0.06 0.00 -0.34 0.00 0.00 43.02 42.07 3nrz s PHE 1005CO 0.00 -0.19 1.05 0.20 -1.46 0.00 0.00 175.22 174.83 3nrz s GLY 1006N 1.59 2.82 -0.31 13.12 0.00 -1.26 -1.04 107.32 122.24 3nrz s GLY 1006Ca -0.02 0.70 -0.09 0.00 0.00 0.00 0.00 44.72 45.30 3nrz s GLY 1006CO -0.03 1.68 0.14 -0.42 0.00 0.00 0.00 173.10 174.47 3nrz s ILE 1007N 0.33 4.50 0.00 0.90 -1.09 -0.17 -4.96 121.20 120.71 3nrz s ILE 1007Ca 0.51 -0.48 0.00 0.00 -2.23 0.00 0.00 60.65 58.45 3nrz s ILE 1007Cb -0.26 -3.31 0.00 0.00 -1.58 0.00 0.00 42.46 37.31 3nrz s ILE 1007CO 0.31 0.06 0.00 -1.20 -1.23 0.00 0.00 174.94 172.88 3nrz n SER 1008N 4.96 0.00 -4.76 3.58 7.64 -1.26 -1.08 113.62 122.70 3nrz n SER 1008Ca -0.14 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.33 3nrz n SER 1008Cb 0.49 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.67 3nrz n SER 1008CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3nrz s PHE 1009N -2.00 2.80 0.29 1.43 0.40 -1.26 -4.89 117.98 114.75 3nrz s PHE 1009Ca 0.00 1.01 0.33 0.00 -0.60 0.00 0.00 56.93 57.67 3nrz s PHE 1009Cb 0.00 -3.96 1.54 0.00 0.51 0.00 0.00 43.02 41.11 3nrz s PHE 1009CO 0.00 -3.03 2.06 1.79 0.70 0.00 0.00 175.22 176.74 3nrz h THR 1010N 3.27 0.21 -3.58 0.64 1.35 -1.94 -3.37 112.91 109.48 3nrz h THR 1010Ca -0.48 -0.50 -0.64 0.00 -0.55 0.00 0.00 66.41 64.24 3nrz h THR 1010Cb 1.23 1.41 -0.14 0.00 -1.73 0.00 0.00 68.15 68.91 3nrz h THR 1010CO 0.73 0.06 0.15 -0.69 -0.25 0.00 0.00 175.52 175.52 3nrz s VAL 1011N -3.88 4.86 0.31 6.82 1.01 -1.26 -4.94 120.40 123.31 3nrz s VAL 1011Ca -0.01 0.42 0.05 0.00 0.00 0.00 0.00 61.98 62.44 3nrz s VAL 1011Cb 0.11 -4.13 0.30 0.00 0.00 0.00 0.00 36.38 32.66 3nrz s VAL 1011CO 0.54 -0.43 1.83 -0.65 0.00 0.00 0.00 175.10 176.39 3nrz h PRO 1012N 8.63 0.81 0.00 2.72 0.11 -1.93 -2.49 132.00 139.85 3nrz h PRO 1012Ca -0.26 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3nrz h PRO 1012Cb 1.10 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.03 3nrz h PRO 1012CO 0.86 0.54 0.00 0.27 -0.21 0.00 0.00 178.00 179.46 3nrz h PHE 1013N 0.84 0.00 0.00 0.65 -5.15 -1.93 -2.04 116.94 109.30 3nrz h PHE 1013Ca 0.51 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.28 3nrz h PHE 1013Cb 0.68 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.85 3nrz h PHE 1013CO -0.00 0.00 0.00 1.28 -2.00 0.00 0.00 178.31 177.59 3nrz n LEU 1014N -2.69 0.57 -3.49 2.10 4.77 -0.94 -4.31 117.00 113.00 3nrz n LEU 1014Ca 0.01 0.60 -0.40 0.00 -0.03 0.00 0.00 56.01 56.19 3nrz n LEU 1014Cb 0.27 -0.47 -0.01 0.00 -2.33 0.00 0.00 43.42 40.87 3nrz n LEU 1014CO 0.24 -0.33 2.80 0.59 -1.33 0.00 0.00 177.39 179.35 3nrz n ASN 1015N -2.08 7.40 -3.88 -1.43 3.02 -0.77 -4.74 115.26 112.79 3nrz n ASN 1015Ca 0.04 -2.87 -0.11 0.00 -0.03 0.00 0.00 54.58 51.62 3nrz n ASN 1015Cb 0.30 -1.50 -0.09 0.00 -0.61 0.00 0.00 39.78 37.88 3nrz n ASN 1015CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3nrz s GLN 1016N 0.97 0.56 -0.17 3.52 -2.07 -1.26 -1.95 119.66 119.27 3nrz s GLN 1016Ca 0.58 -0.53 -0.14 0.00 -1.82 0.00 0.00 55.36 53.45 3nrz s GLN 1016Cb 0.17 0.23 0.05 0.00 -1.09 0.00 0.00 33.01 32.36 3nrz s GLN 1016CO -0.07 -0.14 0.43 0.00 -1.32 0.00 0.00 175.29 174.19 3nrz s ALA 1017N -1.94 -1.08 0.24 2.60 0.00 0.01 -4.57 121.76 117.03 3nrz s ALA 1017Ca -0.10 1.28 0.10 0.00 0.00 0.00 0.00 51.96 53.24 3nrz s ALA 1017Cb -0.05 -0.75 -0.04 0.00 0.00 0.00 0.00 23.12 22.28 3nrz s ALA 1017CO -0.01 -0.22 -0.10 0.20 0.00 0.00 0.00 175.76 175.64 3nrz s GLY 1018N 0.42 1.74 0.05 0.00 0.00 -1.26 -0.68 107.32 107.60 3nrz s GLY 1018Ca -0.02 -1.67 -0.05 0.00 0.00 0.00 0.00 44.72 42.98 3nrz s GLY 1018CO -0.02 -1.73 0.08 0.00 0.00 0.00 0.00 173.10 171.43 3nrz s ALA 1019N -2.18 0.07 -0.04 3.20 0.00 -0.35 -2.17 121.76 120.28 3nrz s ALA 1019Ca 0.29 -0.75 -0.00 0.00 0.00 0.00 0.00 51.96 51.49 3nrz s ALA 1019Cb -0.07 0.31 0.03 0.00 0.00 0.00 0.00 23.12 23.39 3nrz s ALA 1019CO 0.17 -0.37 0.01 -1.17 0.00 0.00 0.00 175.76 174.40 3nrz s LEU 1020N -2.49 0.87 -0.05 0.00 2.96 0.57 -0.96 118.68 119.58 3nrz s LEU 1020Ca 0.00 -0.02 0.05 0.00 -0.22 0.00 0.00 54.13 53.95 3nrz s LEU 1020Cb 0.03 -0.25 -0.01 0.00 0.50 0.00 0.00 46.19 46.46 3nrz s LEU 1020CO -0.07 -0.15 -0.21 -0.63 -1.32 0.00 0.00 176.35 173.97 3nrz s ILE 1021N 1.41 1.76 -0.04 6.68 -1.09 0.50 -0.61 121.20 129.82 3nrz s ILE 1021Ca -0.04 -0.91 0.07 0.00 -2.23 0.00 0.00 60.65 57.54 3nrz s ILE 1021Cb -0.13 -1.50 -0.02 0.00 -1.58 0.00 0.00 42.46 39.24 3nrz s ILE 1021CO -0.03 0.50 -0.25 -1.00 -1.23 0.00 0.00 174.94 172.93 3nrz s HIS 1022N -0.10 2.31 -0.22 3.97 3.76 -0.17 -1.65 115.29 123.19 3nrz s HIS 1022Ca -0.03 -0.55 -0.05 0.00 -0.15 0.00 0.00 55.06 54.28 3nrz s HIS 1022Cb -0.12 -1.50 -0.02 0.00 1.11 0.00 0.00 32.58 32.05 3nrz s HIS 1022CO 0.03 -0.12 -0.01 0.08 -0.85 0.00 0.00 174.74 173.87 3nrz s VAL 1023N -0.39 3.68 0.67 -0.90 1.01 -0.26 -0.48 120.40 123.72 3nrz s VAL 1023Ca 0.04 -0.39 -0.06 0.00 0.00 0.00 0.00 61.98 61.57 3nrz s VAL 1023Cb -0.11 -2.68 0.05 0.00 0.00 0.00 0.00 36.38 33.63 3nrz s VAL 1023CO 0.01 0.41 0.97 -0.31 0.00 0.00 0.00 175.10 176.18 3nrz s TYR 1024N 1.38 2.97 -1.12 5.22 1.51 -0.17 -4.78 117.35 122.36 3nrz s TYR 1024Ca 0.05 0.44 0.23 0.00 -1.01 0.00 0.00 57.07 56.77 3nrz s TYR 1024Cb -0.14 -3.07 1.03 0.00 -0.11 0.00 0.00 41.96 39.67 3nrz s TYR 1024CO -0.01 -1.25 1.74 0.25 -1.11 0.00 0.00 175.55 175.18 3nrz n THR 1025N -2.80 0.38 1.81 -0.71 -2.24 -1.26 -1.10 114.28 108.36 3nrz n THR 1025Ca 0.07 0.10 0.15 0.00 -2.27 0.00 0.00 64.05 62.10 3nrz n THR 1025Cb 0.60 -0.71 0.80 0.00 -2.10 0.00 0.00 70.33 68.92 3nrz n THR 1025CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3nrz n ASP 1026N -1.44 0.49 0.00 3.42 3.85 -1.26 -4.56 116.55 117.06 3nrz n ASP 1026Ca 0.07 -1.13 0.00 0.00 -0.71 0.00 0.00 54.79 53.02 3nrz n ASP 1026Cb 0.24 -0.01 0.00 0.00 -1.35 0.00 0.00 41.12 40.01 3nrz n ASP 1026CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3nrz n GLY 1027N 1.07 1.31 3.79 6.12 0.00 -0.26 -4.84 105.19 112.37 3nrz n GLY 1027Ca 0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.88 3nrz n GLY 1027CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3nrz s SER 1028N -3.16 6.46 -0.08 1.61 1.04 -1.26 -4.81 113.70 113.51 3nrz s SER 1028Ca 0.00 2.04 0.04 0.00 0.48 0.00 0.00 55.95 58.51 3nrz s SER 1028Cb 0.00 -2.58 -0.01 0.00 0.10 0.00 0.00 66.02 63.53 3nrz s SER 1028CO 0.00 -0.70 -0.22 -0.69 0.98 0.00 0.00 173.24 172.61 3nrz s VAL 1029N -1.77 2.31 -0.16 5.02 1.01 0.17 -1.00 120.40 125.98 3nrz s VAL 1029Ca 0.63 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.66 3nrz s VAL 1029Cb -0.21 -1.88 0.01 0.00 0.00 0.00 0.00 36.38 34.30 3nrz s VAL 1029CO 0.25 0.56 -0.18 -0.22 0.00 0.00 0.00 175.10 175.51 3nrz s LEU 1030N -0.02 2.27 -0.16 3.92 2.96 0.37 -1.47 118.68 126.55 3nrz s LEU 1030Ca -0.07 -0.57 -0.04 0.00 -0.22 0.00 0.00 54.13 53.23 3nrz s LEU 1030Cb -0.15 -1.51 -0.03 0.00 0.50 0.00 0.00 46.19 45.01 3nrz s LEU 1030CO 0.05 0.05 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.41 3nrz s VAL 1031N 1.00 3.96 0.01 1.68 1.01 -0.56 -0.99 120.40 126.51 3nrz s VAL 1031Ca -0.02 -0.33 0.08 0.00 0.00 0.00 0.00 61.98 61.70 3nrz s VAL 1031Cb -0.15 -2.74 -0.02 0.00 0.00 0.00 0.00 36.38 33.47 3nrz s VAL 1031CO -0.05 0.49 -0.24 -0.55 0.00 0.00 0.00 175.10 174.76 3nrz s SER 1032N 0.34 2.83 0.21 3.32 0.15 0.22 -4.35 113.70 116.42 3nrz s SER 1032Ca -0.04 -0.49 -0.08 0.00 0.70 0.00 0.00 55.95 56.04 3nrz s SER 1032Cb -0.14 -0.28 -0.02 0.00 -1.71 0.00 0.00 66.02 63.87 3nrz s SER 1032CO 0.03 0.26 0.32 -1.38 1.20 0.00 0.00 173.24 173.66 3nrz s HIS 1033N -0.67 0.64 -1.05 3.44 -3.43 -1.26 -0.32 115.29 112.64 3nrz s HIS 1033Ca 0.10 -0.96 0.24 0.00 -0.80 0.00 0.00 55.06 53.64 3nrz s HIS 1033Cb -0.09 -0.12 1.04 0.00 -1.43 0.00 0.00 32.58 31.98 3nrz s HIS 1033CO 0.00 -0.82 1.77 0.41 -2.00 0.00 0.00 174.74 174.11 3nrz n GLY 1034N -0.31 -1.29 3.85 -1.38 0.00 -0.92 -4.69 105.19 100.44 3nrz n GLY 1034Ca -0.02 -0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 3nrz n GLY 1034CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3nrz s GLY 1035N -2.95 2.25 0.05 -0.02 0.00 -1.26 -4.83 107.32 100.56 3nrz s GLY 1035Ca 0.13 0.08 0.05 0.00 0.00 0.00 0.00 44.72 44.98 3nrz s GLY 1035CO 0.43 0.30 -0.06 -0.51 0.00 0.00 0.00 173.10 173.26 3nrz s THR 1036N -2.15 3.63 -0.21 0.90 -4.23 -1.26 -4.72 115.64 107.60 3nrz s THR 1036Ca 0.56 -0.95 -0.22 0.00 -1.18 0.00 0.00 61.69 59.89 3nrz s THR 1036Cb -0.10 -2.64 -0.02 0.00 1.34 0.00 0.00 72.50 71.08 3nrz s THR 1036CO 0.20 0.27 0.71 -0.70 -0.54 0.00 0.00 174.62 174.56 3nrz s GLU 1037N -1.80 4.21 -0.04 3.99 2.56 -1.26 -4.89 118.70 121.47 3nrz s GLU 1037Ca 0.20 0.75 0.06 0.00 0.00 0.00 0.00 54.97 55.98 3nrz s GLU 1037Cb -0.11 -3.60 0.09 0.00 2.00 0.00 0.00 34.13 32.51 3nrz s GLU 1037CO 0.11 -0.34 0.96 0.00 -0.56 0.00 0.00 175.26 175.44 3nrz n MET 1038N 5.37 1.40 0.00 4.30 0.00 -1.26 -1.14 117.12 125.78 3nrz n MET 1038Ca 0.01 -1.59 0.00 0.00 0.00 0.00 0.00 57.70 56.12 3nrz n MET 1038Cb 0.49 -0.99 0.00 0.00 0.00 0.00 0.00 33.22 32.72 3nrz n MET 1038CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3nrz n GLY 1039N -0.63 1.39 0.00 3.17 0.00 -1.26 -3.07 105.19 104.79 3nrz n GLY 1039Ca 0.05 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.21 3nrz n GLY 1039CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3nrz n GLN 1040N -0.67 0.11 -1.12 1.61 0.00 -1.26 -4.90 117.38 111.14 3nrz n GLN 1040Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 57.00 56.99 3nrz n GLN 1040Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.74 3nrz n GLN 1040CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3nrz n GLY 1041N 1.45 0.57 0.14 2.61 0.00 -1.26 -4.97 105.19 103.73 3nrz n GLY 1041Ca 0.09 -0.82 -0.07 0.00 0.00 0.00 0.00 46.02 45.22 3nrz n GLY 1041CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3nrz h LEU 1042N 0.00 0.02 -0.89 0.99 5.85 -1.90 -0.80 115.31 118.58 3nrz h LEU 1042Ca 0.00 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 3nrz h LEU 1042Cb 0.32 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.38 3nrz h LEU 1042CO 0.00 0.05 0.35 0.45 -0.34 0.00 0.00 178.44 178.95 3nrz h HIS 1043N 0.19 1.16 -0.01 1.25 3.86 -1.93 -0.43 115.15 119.24 3nrz h HIS 1043Ca 0.15 -0.07 0.02 0.00 -1.16 0.00 0.00 60.37 59.31 3nrz h HIS 1043Cb 0.16 -0.36 -0.03 0.00 1.06 0.00 0.00 27.41 28.25 3nrz h HIS 1043CO -0.17 0.86 -0.13 1.15 0.86 0.00 0.00 177.93 180.50 3nrz h THR 1044N 1.13 0.69 -0.97 2.45 2.02 -1.90 -0.33 112.91 116.00 3nrz h THR 1044Ca 0.27 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.50 3nrz h THR 1044Cb 0.16 0.69 -0.06 0.00 -1.74 0.00 0.00 68.15 67.19 3nrz h THR 1044CO -0.03 0.00 0.63 0.11 0.37 0.00 0.00 175.52 176.60 3nrz h LYS 1045N -0.21 1.12 -0.63 6.66 1.57 -0.77 -0.91 116.57 123.40 3nrz h LYS 1045Ca 0.05 -0.07 -0.09 0.00 -1.87 0.00 0.00 60.65 58.67 3nrz h LYS 1045Cb 0.27 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 3nrz h LYS 1045CO -0.13 0.74 0.06 0.52 -0.57 0.00 0.00 179.45 180.07 3nrz h MET 1046N 1.16 1.07 -0.55 3.15 2.86 -0.70 0.39 114.93 122.30 3nrz h MET 1046Ca 0.41 -0.31 -0.03 0.00 -2.06 0.00 0.00 59.70 57.71 3nrz h MET 1046Cb 0.12 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 3nrz h MET 1046CO -0.16 1.02 0.24 0.28 1.06 0.00 0.00 176.91 179.34 3nrz h VAL 1047N 0.98 1.22 -0.65 -2.22 2.07 -0.65 0.82 116.25 117.81 3nrz h VAL 1047Ca 0.19 -0.65 0.01 0.00 0.82 0.00 0.00 66.70 67.06 3nrz h VAL 1047Cb 0.49 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 3nrz h VAL 1047CO 0.02 0.25 0.43 1.56 0.02 0.00 0.00 177.57 179.85 3nrz h GLN 1048N 0.75 0.85 0.29 1.57 4.20 -0.89 0.17 115.11 122.06 3nrz h GLN 1048Ca 0.19 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.83 3nrz h GLN 1048Cb 0.17 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.76 3nrz h GLN 1048CO -0.02 0.56 -0.14 0.28 -0.67 0.00 0.00 178.83 178.84 3nrz h VAL 1049N 0.88 0.73 -0.54 -0.54 2.07 -0.64 -2.00 116.25 116.21 3nrz h VAL 1049Ca 0.24 -0.13 0.04 0.00 0.82 0.00 0.00 66.70 67.68 3nrz h VAL 1049Cb -0.09 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 3nrz h VAL 1049CO -0.06 0.03 0.28 0.00 0.02 0.00 0.00 177.57 177.84 3nrz h ALA 1050N 0.23 0.69 -0.54 1.67 0.00 -0.74 0.46 119.26 121.03 3nrz h ALA 1050Ca -0.04 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.90 3nrz h ALA 1050Cb 0.35 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3nrz h ALA 1050CO 0.07 -0.05 0.34 1.03 0.00 0.00 0.00 179.25 180.64 3nrz h SER 1051N 0.55 0.57 -0.19 0.00 0.87 -0.96 0.12 113.55 114.51 3nrz h SER 1051Ca 0.23 -0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.77 3nrz h SER 1051Cb 0.12 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 3nrz h SER 1051CO -0.15 0.41 0.05 0.50 -0.53 0.00 0.00 176.83 177.11 3nrz h LYS 1052N 0.69 0.30 -0.42 2.24 3.64 -1.07 -0.14 116.57 121.81 3nrz h LYS 1052Ca 0.21 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.45 3nrz h LYS 1052Cb -0.02 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 3nrz h LYS 1052CO -0.07 0.42 -0.02 0.00 -2.27 0.00 0.00 179.45 177.51 3nrz h ALA 1053N 0.87 0.57 0.00 5.00 0.00 -0.64 -2.87 119.26 122.19 3nrz h ALA 1053Ca 0.06 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3nrz h ALA 1053Cb 0.25 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3nrz h ALA 1053CO -0.00 0.38 0.00 -0.07 0.00 0.00 0.00 179.25 179.56 3nrz h LEU 1054N 0.59 0.00 -1.64 0.00 3.38 -0.80 -3.47 115.31 113.36 3nrz h LEU 1054Ca 0.12 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.73 3nrz h LEU 1054Cb 0.52 0.00 0.14 0.00 0.09 0.00 0.00 40.66 41.41 3nrz h LEU 1054CO 0.03 0.00 -0.78 0.29 0.09 0.00 0.00 178.44 178.06 3nrz n LYS 1055N -2.61 -6.25 -4.15 1.13 5.02 -0.12 -5.05 118.16 106.13 3nrz n LYS 1055Ca 0.05 0.79 -0.12 0.00 -2.02 0.00 0.00 58.31 57.00 3nrz n LYS 1055Cb 0.46 -5.70 -0.11 0.00 -0.02 0.00 0.00 35.03 29.67 3nrz n LYS 1055CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3nrz s ILE 1056N -3.43 0.76 0.55 -0.18 -4.36 -0.87 -5.06 121.20 108.60 3nrz s ILE 1056Ca 0.03 -1.68 -0.21 0.00 -0.26 0.00 0.00 60.65 58.53 3nrz s ILE 1056Cb -0.01 -1.38 -0.05 0.00 1.25 0.00 0.00 42.46 42.27 3nrz s ILE 1056CO 0.75 -0.67 1.29 -2.84 0.24 0.00 0.00 174.94 173.71 3nrz s PRO 1057N -3.06 3.18 0.56 0.37 0.02 -1.26 -4.55 135.00 130.26 3nrz s PRO 1057Ca 0.06 2.06 0.28 0.00 0.02 0.00 0.00 61.00 63.42 3nrz s PRO 1057Cb -0.00 -2.20 1.47 0.00 0.02 0.00 0.00 34.50 33.79 3nrz s PRO 1057CO -0.02 -1.10 1.94 -0.84 -0.33 0.00 0.00 177.00 176.65 3nrz h ILE 1058N 1.36 0.53 0.00 2.83 3.07 -1.91 -1.44 117.51 121.94 3nrz h ILE 1058Ca -0.51 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.90 3nrz h ILE 1058Cb 1.29 0.66 0.00 0.00 -0.27 0.00 0.00 36.82 38.50 3nrz h ILE 1058CO 0.57 0.00 0.00 0.77 -1.05 0.00 0.00 178.15 178.44 3nrz h SER 1059N 0.00 0.00 0.86 2.16 4.64 -1.98 -2.21 113.55 117.02 3nrz h SER 1059Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 3nrz h SER 1059Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3nrz h SER 1059CO -0.00 0.00 -0.17 0.29 -0.87 0.00 0.00 176.83 176.07 3nrz n LYS 1060N -2.90 0.02 -4.59 4.77 5.02 -0.54 -4.89 118.16 115.04 3nrz n LYS 1060Ca -0.01 0.01 -0.32 0.00 -2.02 0.00 0.00 58.31 55.97 3nrz n LYS 1060Cb 0.14 -1.52 -0.11 0.00 -0.02 0.00 0.00 35.03 33.52 3nrz n LYS 1060CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3nrz s ILE 1061N -3.01 3.39 0.01 -0.18 1.01 -0.83 -0.65 121.20 120.93 3nrz s ILE 1061Ca 0.13 -0.82 0.00 0.00 0.00 0.00 0.00 60.65 59.96 3nrz s ILE 1061Cb 0.18 -2.43 -0.01 0.00 0.01 0.00 0.00 42.46 40.21 3nrz s ILE 1061CO 0.59 0.44 -0.02 -0.47 0.00 0.00 0.00 174.94 175.48 3nrz s TYR 1062N -0.92 0.14 -0.15 3.97 5.04 -0.54 -4.96 117.35 119.92 3nrz s TYR 1062Ca 0.15 -0.23 0.01 0.00 -2.44 0.00 0.00 57.07 54.56 3nrz s TYR 1062Cb -0.11 -0.10 0.02 0.00 0.35 0.00 0.00 41.96 42.12 3nrz s TYR 1062CO 0.05 -0.08 -0.17 0.42 -1.34 0.00 0.00 175.55 174.43 3nrz s ILE 1063N -0.64 1.81 -0.24 3.14 1.01 -1.26 -1.50 121.20 123.52 3nrz s ILE 1063Ca -0.07 -0.79 -0.14 0.00 0.00 0.00 0.00 60.65 59.65 3nrz s ILE 1063Cb -0.04 -1.65 -0.16 0.00 0.01 0.00 0.00 42.46 40.62 3nrz s ILE 1063CO -0.00 0.50 -0.12 -0.24 0.00 0.00 0.00 174.94 175.07 3nrz n SER 1064N 4.57 1.95 -3.51 3.58 2.88 -1.26 -5.06 113.62 116.76 3nrz n SER 1064Ca -0.19 0.29 -0.04 0.00 -1.33 0.00 0.00 58.87 57.60 3nrz n SER 1064Cb 0.50 -0.81 0.00 0.00 -0.75 0.00 0.00 64.21 63.15 3nrz n SER 1064CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 3nrz s GLU 1065N -2.47 1.46 -0.14 -1.46 -1.05 -1.26 -4.83 118.70 108.94 3nrz s GLU 1065Ca -0.34 -0.87 -0.05 0.00 -0.15 0.00 0.00 54.97 53.55 3nrz s GLU 1065Cb 0.11 0.45 -0.04 0.00 -0.44 0.00 0.00 34.13 34.21 3nrz s GLU 1065CO 0.55 -0.67 0.04 0.99 0.95 0.00 0.00 175.26 177.12 3nrz s THR 1066N -2.83 4.60 -0.04 1.83 2.01 0.10 -4.72 115.64 116.58 3nrz s THR 1066Ca 0.16 -0.12 -0.14 0.00 0.31 0.00 0.00 61.69 61.89 3nrz s THR 1066Cb -0.03 -3.01 0.03 0.00 0.01 0.00 0.00 72.50 69.50 3nrz s THR 1066CO 0.05 0.53 0.32 -0.94 -0.69 0.00 0.00 174.62 173.90 3nrz s SER 1067N -0.22 -0.23 0.22 3.53 1.04 -1.26 -0.58 113.70 116.19 3nrz s SER 1067Ca 0.07 0.20 0.25 0.00 0.48 0.00 0.00 55.95 56.95 3nrz s SER 1067Cb -0.12 0.39 0.89 0.00 0.10 0.00 0.00 66.02 67.27 3nrz s SER 1067CO 0.02 -0.39 1.76 0.35 0.98 0.00 0.00 173.24 175.95 3nrz n THR 1068N 1.56 0.66 1.33 2.02 -2.24 -0.73 -2.36 114.28 114.53 3nrz n THR 1068Ca -0.20 -0.08 0.13 0.00 -2.27 0.00 0.00 64.05 61.63 3nrz n THR 1068Cb 0.56 -0.79 0.38 0.00 -2.10 0.00 0.00 70.33 68.38 3nrz n THR 1068CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3nrz n ASN 1069N -2.21 2.01 -0.09 3.42 6.94 -1.26 -3.87 115.26 120.20 3nrz n ASN 1069Ca 0.04 -1.67 -0.16 0.00 -0.02 0.00 0.00 54.58 52.78 3nrz n ASN 1069Cb 0.35 -0.00 -0.07 0.00 -2.36 0.00 0.00 39.78 37.70 3nrz n ASN 1069CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 3nrz n THR 1070N 0.58 0.99 -3.80 5.53 -2.24 -1.04 -4.94 114.28 109.36 3nrz n THR 1070Ca 0.17 -0.32 -0.29 0.00 -2.27 0.00 0.00 64.05 61.35 3nrz n THR 1070Cb 0.44 -1.42 -0.16 0.00 -2.10 0.00 0.00 70.33 67.09 3nrz n THR 1070CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3nrz s VAL 1071N -2.34 0.93 0.57 2.28 1.01 -0.99 -4.80 120.40 117.07 3nrz s VAL 1071Ca -0.24 -0.98 -0.09 0.00 0.00 0.00 0.00 61.98 60.66 3nrz s VAL 1071Cb 0.08 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 3nrz s VAL 1071CO 0.36 -0.29 0.95 -2.16 0.00 0.00 0.00 175.10 173.96 3nrz s PRO 1072N 1.65 3.59 -1.63 2.72 0.04 -1.25 -4.43 135.00 135.69 3nrz s PRO 1072Ca 0.00 0.58 -0.01 0.00 0.04 0.00 0.00 61.00 61.61 3nrz s PRO 1072Cb -0.18 -2.18 0.00 0.00 0.04 0.00 0.00 34.50 32.19 3nrz s PRO 1072CO -0.11 -0.44 0.14 0.09 0.04 0.00 0.00 177.00 176.71 3nrz n ASN 1073N -2.55 -5.70 -4.76 6.66 3.02 -1.26 -4.94 115.26 105.73 3nrz n ASN 1073Ca 0.04 -0.08 -0.40 0.00 -0.03 0.00 0.00 54.58 54.11 3nrz n ASN 1073Cb 0.54 -4.68 -0.04 0.00 -0.61 0.00 0.00 39.78 34.99 3nrz n ASN 1073CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3nrz s SER 1074N -2.26 7.13 0.70 6.41 1.04 -1.26 -5.02 113.70 120.43 3nrz s SER 1074Ca 0.07 2.38 -0.15 0.00 0.48 0.00 0.00 55.95 58.74 3nrz s SER 1074Cb -0.03 -2.63 0.02 0.00 0.10 0.00 0.00 66.02 63.48 3nrz s SER 1074CO 0.08 -0.26 1.14 -0.44 0.98 0.00 0.00 173.24 174.74 3nrz s SER 1075N -0.74 4.73 0.74 7.02 0.01 -1.26 -4.46 113.70 119.73 3nrz s SER 1075Ca 0.46 2.10 -0.15 0.00 1.31 0.00 0.00 55.95 59.66 3nrz s SER 1075Cb -0.34 -2.56 0.03 0.00 0.21 0.00 0.00 66.02 63.36 3nrz s SER 1075CO 0.44 -1.89 1.11 -0.81 0.41 0.00 0.00 173.24 172.50 3nrz n PRO 1076N -2.64 0.53 -2.44 12.44 -0.04 -1.26 -4.89 135.00 136.69 3nrz n PRO 1076Ca 0.11 0.24 -0.40 0.00 -0.04 0.00 0.00 63.50 63.41 3nrz n PRO 1076Cb 0.52 -2.36 -0.03 0.00 -0.04 0.00 0.00 33.50 31.58 3nrz n PRO 1076CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3nrz s THR 1077N -1.83 3.68 0.23 0.52 2.01 0.66 -4.87 115.64 116.03 3nrz s THR 1077Ca 0.75 0.16 -0.21 0.00 0.31 0.00 0.00 61.69 62.70 3nrz s THR 1077Cb -0.33 -4.73 0.07 0.00 0.01 0.00 0.00 72.50 67.51 3nrz s THR 1077CO 0.48 -1.67 0.96 0.00 -0.69 0.00 0.00 174.62 173.70 3nrz s ALA 1078N 6.38 -1.41 -0.56 7.40 0.00 -1.26 -4.92 121.76 127.40 3nrz s ALA 1078Ca 0.44 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 52.06 3nrz s ALA 1078Cb -0.08 0.72 0.00 0.00 0.00 0.00 0.00 23.12 23.77 3nrz s ALA 1078CO 0.12 -1.04 0.00 0.00 0.00 0.00 0.00 175.76 174.83 3nrz n ALA 1079N -0.61 -0.08 -1.08 0.00 0.00 -1.26 -3.23 120.51 114.25 3nrz n ALA 1079Ca -0.05 0.08 -0.03 0.00 0.00 0.00 0.00 53.44 53.45 3nrz n ALA 1079Cb 0.60 -1.40 -0.01 0.00 0.00 0.00 0.00 19.45 18.64 3nrz n ALA 1079CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3nrz n SER 1080N -0.80 -5.51 -1.02 0.00 7.64 -1.26 -4.37 113.62 108.30 3nrz n SER 1080Ca -0.05 0.06 0.10 0.00 1.01 0.00 0.00 58.87 59.99 3nrz n SER 1080Cb 0.46 -3.24 0.20 0.00 -1.01 0.00 0.00 64.21 60.62 3nrz n SER 1080CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 3nrz n VAL 1081N -2.19 0.57 -0.19 0.44 0.24 -1.20 -4.44 118.33 111.55 3nrz n VAL 1081Ca -0.03 -0.78 -0.06 0.00 -2.04 0.00 0.00 64.34 61.43 3nrz n VAL 1081Cb 0.45 0.90 0.04 0.00 -1.47 0.00 0.00 33.84 33.76 3nrz n VAL 1081CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 3nrz h SER 1082N 3.85 0.58 -0.30 -1.34 0.02 -1.89 -0.59 113.55 113.88 3nrz h SER 1082Ca 0.00 -0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.97 3nrz h SER 1082Cb 0.89 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.27 3nrz h SER 1082CO 0.00 0.41 0.12 0.74 -1.14 0.00 0.00 176.83 176.96 3nrz h THR 1083N 0.69 0.94 -0.15 -2.27 2.02 -1.96 0.96 112.91 113.14 3nrz h THR 1083Ca 0.21 -0.09 0.03 0.00 0.77 0.00 0.00 66.41 67.34 3nrz h THR 1083Cb -0.02 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.01 3nrz h THR 1083CO -0.07 0.05 -0.05 0.44 0.37 0.00 0.00 175.52 176.25 3nrz h ASP 1084N 0.26 -0.18 0.08 4.18 5.19 -1.70 -0.62 116.42 123.63 3nrz h ASP 1084Ca 0.13 0.05 -0.24 0.00 -0.62 0.00 0.00 57.03 56.36 3nrz h ASP 1084Cb 0.09 0.11 -0.01 0.00 0.18 0.00 0.00 39.33 39.70 3nrz h ASP 1084CO -0.12 -0.07 -1.22 0.16 -3.12 0.00 0.00 179.24 174.87 3nrz h ILE 1085N -0.02 1.10 -0.21 0.35 3.07 -0.78 -2.63 117.51 118.38 3nrz h ILE 1085Ca 0.08 -2.35 -0.14 0.00 1.55 0.00 0.00 64.86 63.99 3nrz h ILE 1085Cb 0.14 2.71 -0.01 0.00 -0.27 0.00 0.00 36.82 39.38 3nrz h ILE 1085CO -0.17 0.62 -0.46 1.88 -1.05 0.00 0.00 178.15 178.98 3nrz h TYR 1086N -0.51 0.66 -0.65 0.16 -1.99 -0.95 -1.50 116.97 112.19 3nrz h TYR 1086Ca -0.28 -0.21 0.10 0.00 2.00 0.00 0.00 58.73 60.35 3nrz h TYR 1086Cb 1.59 -0.14 -0.08 0.00 2.00 0.00 0.00 36.73 40.11 3nrz h TYR 1086CO 0.14 0.90 0.26 0.78 -0.00 0.00 0.00 178.16 180.24 3nrz h GLY 1087N 1.07 0.94 0.80 3.88 0.00 -1.17 0.18 103.07 108.77 3nrz h GLY 1087Ca 0.03 -0.14 -0.04 0.00 0.00 0.00 0.00 47.33 47.17 3nrz h GLY 1087CO 0.09 -0.02 -0.03 -1.61 0.00 0.00 0.00 176.54 174.97 3nrz h GLN 1088N 0.45 0.37 -0.53 4.80 5.75 -1.22 -0.20 115.11 124.52 3nrz h GLN 1088Ca 0.33 -0.13 0.09 0.00 -0.15 0.00 0.00 58.65 58.79 3nrz h GLN 1088Cb 0.41 -0.02 -0.07 0.00 1.07 0.00 0.00 27.48 28.87 3nrz h GLN 1088CO -0.31 0.61 0.14 0.00 -2.65 0.00 0.00 178.83 176.61 3nrz h ALA 1089N 0.75 0.62 -0.33 3.38 0.00 -0.91 -1.03 119.26 121.74 3nrz h ALA 1089Ca 0.05 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3nrz h ALA 1089Cb 0.46 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3nrz h ALA 1089CO 0.02 -0.28 0.08 0.28 0.00 0.00 0.00 179.25 179.35 3nrz h VAL 1090N 0.28 1.22 -0.37 0.00 2.07 -0.57 -2.28 116.25 116.60 3nrz h VAL 1090Ca 0.27 -0.74 0.06 0.00 0.82 0.00 0.00 66.70 67.10 3nrz h VAL 1090Cb 0.35 1.07 -0.05 0.00 -1.52 0.00 0.00 31.29 31.14 3nrz h VAL 1090CO -0.32 0.25 0.06 0.22 0.02 0.00 0.00 177.57 177.80 3nrz h TYR 1091N 0.38 0.09 -0.67 1.57 3.20 -0.80 -0.35 116.97 120.40 3nrz h TYR 1091Ca 0.10 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.97 3nrz h TYR 1091Cb 0.30 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.55 3nrz h TYR 1091CO 0.01 -0.00 0.33 0.93 -1.64 0.00 0.00 178.16 177.79 3nrz h GLU 1092N 0.18 0.97 -0.64 1.82 4.39 -1.08 -0.92 114.58 119.29 3nrz h GLU 1092Ca 0.18 -0.14 -0.07 0.00 0.34 0.00 0.00 59.36 59.67 3nrz h GLU 1092Cb 0.22 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.67 3nrz h GLU 1092CO -0.25 0.76 0.13 0.00 -1.16 0.00 0.00 179.01 178.50 3nrz h ALA 1093N 1.15 1.03 -0.75 3.43 0.00 -1.07 -2.15 119.26 120.91 3nrz h ALA 1093Ca 0.23 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3nrz h ALA 1093Cb 0.11 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3nrz h ALA 1093CO -0.03 0.63 0.27 0.00 0.00 0.00 0.00 179.25 180.12 3nrz h GLN 1095N 1.10 0.57 -0.32 0.00 1.08 -0.81 0.13 115.11 116.85 3nrz h GLN 1095Ca 0.25 -0.07 0.06 0.00 -1.45 0.00 0.00 58.65 57.44 3nrz h GLN 1095Cb 0.25 -0.11 -0.06 0.00 -0.05 0.00 0.00 27.48 27.52 3nrz h GLN 1095CO -0.01 0.47 -0.05 1.15 -0.95 0.00 0.00 178.83 179.43 3nrz h THR 1096N 0.52 0.71 -0.24 -0.54 2.02 -1.20 -1.06 112.91 113.13 3nrz h THR 1096Ca 0.14 -0.01 0.04 0.00 0.77 0.00 0.00 66.41 67.34 3nrz h THR 1096Cb 0.07 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 67.12 3nrz h THR 1096CO -0.02 0.01 0.03 0.40 0.37 0.00 0.00 175.52 176.30 3nrz h ILE 1097N 0.03 0.87 -0.78 3.11 2.04 -0.79 -2.41 117.51 119.58 3nrz h ILE 1097Ca 0.16 -0.04 0.06 0.00 1.00 0.00 0.00 64.86 66.04 3nrz h ILE 1097Cb 0.23 0.74 -0.06 0.00 -0.74 0.00 0.00 36.82 36.99 3nrz h ILE 1097CO -0.31 0.02 0.46 -0.07 0.00 0.00 0.00 178.15 178.26 3nrz h LEU 1098N 0.11 0.71 -0.95 1.44 3.38 -0.64 -1.21 115.31 118.15 3nrz h LEU 1098Ca 0.11 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.11 3nrz h LEU 1098Cb 0.12 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 3nrz h LEU 1098CO -0.16 0.45 0.63 0.11 0.09 0.00 0.00 178.44 179.56 3nrz h LYS 1099N 0.84 1.25 -0.09 1.13 1.79 -0.98 -0.87 116.57 119.65 3nrz h LYS 1099Ca 0.34 -0.08 -0.16 0.00 -2.18 0.00 0.00 60.65 58.58 3nrz h LYS 1099Cb 0.19 -0.28 -0.01 0.00 -1.58 0.00 0.00 32.23 30.55 3nrz h LYS 1099CO -0.18 0.83 -0.63 0.00 -1.08 0.00 0.00 179.45 178.39 3nrz h ARG 1100N 1.29 0.31 0.00 3.15 3.08 -0.88 -3.04 114.38 118.29 3nrz h ARG 1100Ca 0.35 -0.22 -0.05 0.00 0.07 0.00 0.00 59.98 60.13 3nrz h ARG 1100Cb -0.15 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 3nrz h ARG 1100CO -0.08 0.84 -0.24 -0.07 -1.07 0.00 0.00 179.97 179.35 3nrz h LEU 1101N 0.23 0.00 -0.82 3.04 3.38 -0.89 -3.39 115.31 116.86 3nrz h LEU 1101Ca -0.01 0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.16 3nrz h LEU 1101Cb 1.15 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.77 3nrz h LEU 1101CO 0.10 0.24 0.19 -0.08 0.09 0.00 0.00 178.44 178.99 3nrz h GLU 1102N 0.00 0.22 -0.20 1.13 4.57 -1.05 -0.21 114.58 119.05 3nrz h GLU 1102Ca -0.00 -0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.13 3nrz h GLU 1102Cb 1.14 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.67 3nrz h GLU 1102CO 0.03 0.15 -0.05 -1.35 -1.18 0.00 0.00 179.01 176.61 3nrz h PRO 1103N 0.23 0.29 0.10 0.92 0.11 -1.79 -1.42 132.00 130.44 3nrz h PRO 1103Ca 0.49 -0.05 -0.27 0.00 0.11 0.00 0.00 66.00 66.28 3nrz h PRO 1103Cb 0.92 -0.05 0.01 0.00 0.11 0.00 0.00 31.00 31.99 3nrz h PRO 1103CO -0.60 0.36 -1.18 0.74 -0.21 0.00 0.00 178.00 177.11 3nrz h PHE 1104N 0.29 0.58 -0.13 0.65 -1.00 -1.34 -2.32 116.94 113.67 3nrz h PHE 1104Ca 0.06 -0.39 0.04 0.00 2.81 0.00 0.00 57.97 60.50 3nrz h PHE 1104Cb 0.28 -0.04 -0.05 0.00 3.61 0.00 0.00 35.95 39.75 3nrz h PHE 1104CO 0.01 1.27 -0.18 -0.22 -1.61 0.00 0.00 178.31 177.58 3nrz h LYS 1105N 0.13 -0.22 0.00 1.51 3.64 -1.08 -2.25 116.57 118.30 3nrz h LYS 1105Ca -0.13 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.25 3nrz h LYS 1105Cb 1.87 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 33.74 3nrz h LYS 1105CO 0.20 -0.15 -0.05 0.87 -2.27 0.00 0.00 179.45 178.05 3nrz h LYS 1106N -0.23 0.00 0.00 1.90 1.57 -1.17 -2.14 116.57 116.50 3nrz h LYS 1106Ca 0.10 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.82 3nrz h LYS 1106Cb 0.37 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 3nrz h LYS 1106CO -0.26 0.05 -0.26 0.87 -0.57 0.00 0.00 179.45 179.28 3nrz h LYS 1107N 0.00 0.00 -1.95 3.15 1.57 -1.05 -3.38 116.57 114.91 3nrz h LYS 1107Ca -0.00 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.28 3nrz h LYS 1107Cb 0.10 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 32.02 3nrz h LYS 1107CO 0.01 0.26 -1.15 -1.71 -0.57 0.00 0.00 179.45 176.28 3nrz n ASN 1108N -3.19 0.56 0.28 0.86 5.15 -0.85 -4.99 115.26 113.08 3nrz n ASN 1108Ca 0.03 -2.94 0.18 0.00 -0.60 0.00 0.00 54.58 51.25 3nrz n ASN 1108Cb 0.61 -0.56 0.82 0.00 -0.53 0.00 0.00 39.78 40.12 3nrz n ASN 1108CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3nrz h PRO 1109N 3.28 0.00 -0.48 1.20 0.13 -1.62 -0.63 132.00 133.88 3nrz h PRO 1109Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 3nrz h PRO 1109Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 3nrz h PRO 1109CO 0.48 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.00 3nrz n ASP 1110N -3.02 4.43 -3.32 1.44 8.00 -1.26 -4.97 116.55 117.84 3nrz n ASP 1110Ca -0.00 -2.64 -0.13 0.00 0.71 0.00 0.00 54.79 52.72 3nrz n ASP 1110Cb 0.23 -0.54 0.07 0.00 -0.02 0.00 0.00 41.12 40.87 3nrz n ASP 1110CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3nrz n GLY 1111N 0.46 0.32 3.73 0.44 0.00 -0.24 -5.12 105.19 104.77 3nrz n GLY 1111Ca 0.23 -1.94 -0.23 0.00 0.00 0.00 0.00 46.02 44.08 3nrz n GLY 1111CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3nrz s SER 1112N -3.29 4.91 0.27 1.61 1.04 -1.26 -5.01 113.70 111.97 3nrz s SER 1112Ca 0.37 -0.55 -0.08 0.00 0.48 0.00 0.00 55.95 56.17 3nrz s SER 1112Cb -0.02 -0.99 0.44 0.00 0.10 0.00 0.00 66.02 65.55 3nrz s SER 1112CO 0.25 -0.11 1.57 -0.25 0.98 0.00 0.00 173.24 175.68 3nrz h TRP 1113N 1.64 -0.49 -0.76 5.02 2.91 -1.98 -1.09 115.95 121.20 3nrz h TRP 1113Ca -0.45 0.08 -0.03 0.00 1.13 0.00 0.00 58.89 59.62 3nrz h TRP 1113Cb 1.25 0.36 -0.03 0.00 -0.51 0.00 0.00 29.16 30.23 3nrz h TRP 1113CO 0.62 -0.41 0.34 0.93 -1.03 0.00 0.00 178.44 178.89 3nrz h GLU 1114N 0.00 1.11 -0.57 2.65 3.07 -1.93 -0.51 114.58 118.40 3nrz h GLU 1114Ca 0.46 -0.17 -0.06 0.00 -0.50 0.00 0.00 59.36 59.09 3nrz h GLU 1114Cb 0.71 -0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 28.40 3nrz h GLU 1114CO -0.98 0.87 0.12 -0.44 -1.40 0.00 0.00 179.01 177.18 3nrz h ASP 1115N 1.09 0.88 -0.54 1.42 3.32 -1.63 -2.03 116.42 118.93 3nrz h ASP 1115Ca 0.26 -0.25 -0.11 0.00 0.02 0.00 0.00 57.03 56.95 3nrz h ASP 1115Cb 0.15 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 3nrz h ASP 1115CO -0.03 0.90 -0.11 -0.50 -1.72 0.00 0.00 179.24 177.78 3nrz h TRP 1116N 0.82 1.15 -0.28 4.55 6.55 -0.78 -1.09 115.95 126.88 3nrz h TRP 1116Ca 0.17 -0.24 -0.02 0.00 0.95 0.00 0.00 58.89 59.75 3nrz h TRP 1116Cb 0.38 -0.28 -0.01 0.00 -0.86 0.00 0.00 29.16 28.38 3nrz h TRP 1116CO 0.03 1.07 0.09 0.28 -1.05 0.00 0.00 178.44 178.85 3nrz h VAL 1117N 0.91 1.20 -0.61 1.49 2.07 -1.03 -1.62 116.25 118.65 3nrz h VAL 1117Ca 0.14 -0.63 -0.08 0.00 0.82 0.00 0.00 66.70 66.95 3nrz h VAL 1117Cb 0.68 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 3nrz h VAL 1117CO 0.05 0.21 0.06 -0.03 0.02 0.00 0.00 177.57 177.87 3nrz h MET 1118N 0.29 1.04 -0.70 1.57 1.85 -1.28 -0.77 114.93 116.93 3nrz h MET 1118Ca 0.09 -0.30 0.01 0.00 -0.61 0.00 0.00 59.70 58.89 3nrz h MET 1118Cb 0.24 -0.11 -0.04 0.00 0.43 0.00 0.00 31.60 32.12 3nrz h MET 1118CO -0.00 0.99 0.46 0.00 -0.40 0.00 0.00 176.91 177.96 3nrz h ALA 1119N 1.01 0.89 -0.49 0.39 0.00 -1.15 -0.63 119.26 119.28 3nrz h ALA 1119Ca 0.18 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3nrz h ALA 1119Cb 0.49 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3nrz h ALA 1119CO 0.02 0.30 0.20 0.00 0.00 0.00 0.00 179.25 179.77 3nrz h ALA 1120N 1.26 0.64 -0.06 0.00 0.00 -0.90 -1.45 119.26 118.76 3nrz h ALA 1120Ca 0.26 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.04 3nrz h ALA 1120Cb -0.09 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3nrz h ALA 1120CO -0.06 0.24 -0.04 -0.92 0.00 0.00 0.00 179.25 178.47 3nrz h TYR 1121N 0.65 -0.09 0.00 0.00 3.20 -0.88 -1.18 116.97 118.67 3nrz h TYR 1121Ca 0.17 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 3nrz h TYR 1121Cb 0.18 0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.50 3nrz h TYR 1121CO 0.00 -0.07 -0.05 1.96 -1.64 0.00 0.00 178.16 178.36 3nrz h GLN 1122N -0.05 0.00 -0.44 1.82 4.20 -0.95 -0.60 115.11 119.09 3nrz h GLN 1122Ca 0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 3nrz h GLN 1122Cb 0.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.88 3nrz h GLN 1122CO -0.09 0.05 0.00 -3.47 -0.67 0.00 0.00 178.83 174.66 3nrz n ASP 1123N -3.26 2.33 -3.61 1.46 2.03 -0.56 -4.95 116.55 109.98 3nrz n ASP 1123Ca -0.01 -2.04 -0.21 0.00 0.52 0.00 0.00 54.79 53.06 3nrz n ASP 1123Cb 0.24 -0.30 0.05 0.00 -0.72 0.00 0.00 41.12 40.39 3nrz n ASP 1123CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3nrz n ARG 1124N 0.69 -4.88 -4.10 -0.67 1.74 -0.23 -5.01 116.66 104.20 3nrz n ARG 1124Ca 0.14 0.68 -0.35 0.00 -0.77 0.00 0.00 57.85 57.55 3nrz n ARG 1124Cb 0.38 -5.31 -0.09 0.00 -1.02 0.00 0.00 32.46 26.42 3nrz n ARG 1124CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3nrz s VAL 1125N -3.58 4.71 0.19 1.55 1.01 -0.48 -5.04 120.40 118.76 3nrz s VAL 1125Ca 0.06 -0.07 -0.30 0.00 0.00 0.00 0.00 61.98 61.66 3nrz s VAL 1125Cb -0.01 -3.08 -0.08 0.00 0.00 0.00 0.00 36.38 33.21 3nrz s VAL 1125CO 0.79 0.51 1.25 -0.55 0.00 0.00 0.00 175.10 177.10 3nrz s SER 1126N -0.08 7.00 -0.28 3.32 0.15 -1.26 -4.38 113.70 118.17 3nrz s SER 1126Ca 0.06 2.30 0.11 0.00 0.70 0.00 0.00 55.95 59.12 3nrz s SER 1126Cb -0.12 -2.61 0.59 0.00 -1.71 0.00 0.00 66.02 62.17 3nrz s SER 1126CO 0.01 -0.44 1.58 0.18 1.20 0.00 0.00 173.24 175.77 3nrz n LEU 1127N 2.60 4.79 -4.11 3.45 4.77 -1.26 -4.94 117.00 122.30 3nrz n LEU 1127Ca 0.05 -3.38 -0.23 0.00 -0.03 0.00 0.00 56.01 52.42 3nrz n LEU 1127Cb 0.44 -0.65 -0.15 0.00 -2.33 0.00 0.00 43.42 40.72 3nrz n LEU 1127CO 0.57 0.94 -0.48 -0.55 -1.33 0.00 0.00 177.39 176.53 3nrz s SER 1128N -1.85 1.77 -0.03 -1.43 0.15 -1.26 -1.10 113.70 109.94 3nrz s SER 1128Ca 0.48 -0.28 -0.24 0.00 0.70 0.00 0.00 55.95 56.61 3nrz s SER 1128Cb 0.40 -0.30 0.05 0.00 -1.71 0.00 0.00 66.02 64.46 3nrz s SER 1128CO 0.07 0.16 0.52 0.28 1.20 0.00 0.00 173.24 175.48 3nrz s THR 1129N -0.19 0.02 0.51 6.45 -1.32 -0.66 -5.01 115.64 115.45 3nrz s THR 1129Ca 0.02 -0.20 -0.04 0.00 -1.21 0.00 0.00 61.69 60.26 3nrz s THR 1129Cb -0.07 -0.84 -0.01 0.00 -1.51 0.00 0.00 72.50 70.07 3nrz s THR 1129CO 0.00 -0.11 0.79 0.42 -2.21 0.00 0.00 174.62 173.51 3nrz s THR 1130N -1.25 4.20 0.01 5.08 -4.23 -1.26 -0.37 115.64 117.82 3nrz s THR 1130Ca -0.12 -0.07 -0.03 0.00 -1.18 0.00 0.00 61.69 60.28 3nrz s THR 1130Cb -0.02 -3.61 -0.01 0.00 1.34 0.00 0.00 72.50 70.20 3nrz s THR 1130CO 0.08 -0.56 0.05 -0.83 -0.54 0.00 0.00 174.62 172.81 3nrz s GLY 1131N -4.21 0.12 -0.14 3.99 0.00 -0.13 -4.36 107.32 102.59 3nrz s GLY 1131Ca 0.50 -0.29 -0.13 0.00 0.00 0.00 0.00 44.72 44.80 3nrz s GLY 1131CO 0.43 -0.38 0.37 -0.12 0.00 0.00 0.00 173.10 173.40 3nrz s PHE 1132N -1.19 -0.41 -0.00 1.90 5.36 -1.26 -1.21 117.98 121.17 3nrz s PHE 1132Ca -0.13 0.99 0.02 0.00 -0.96 0.00 0.00 56.93 56.85 3nrz s PHE 1132Cb -0.08 0.14 -0.01 0.00 -0.34 0.00 0.00 43.02 42.74 3nrz s PHE 1132CO 0.00 -0.20 -0.08 -0.47 -1.46 0.00 0.00 175.22 173.02 3nrz s TYR 1133N 0.23 0.69 -0.11 10.12 5.04 0.14 -4.69 117.35 128.77 3nrz s TYR 1133Ca -0.00 -0.16 -0.01 0.00 -2.44 0.00 0.00 57.07 54.46 3nrz s TYR 1133Cb -0.03 -0.44 0.03 0.00 0.35 0.00 0.00 41.96 41.87 3nrz s TYR 1133CO 0.00 -0.01 -0.05 0.50 -1.34 0.00 0.00 175.55 174.64 3nrz s ARG 1134N -0.32 1.27 0.09 4.97 3.52 -1.26 -0.81 118.95 126.42 3nrz s ARG 1134Ca 0.02 -0.18 -0.31 0.00 -0.13 0.00 0.00 55.73 55.13 3nrz s ARG 1134Cb -0.04 -1.47 -0.09 0.00 -1.56 0.00 0.00 34.95 31.79 3nrz s ARG 1134CO -0.00 -0.30 1.69 0.99 -0.81 0.00 0.00 175.30 176.87 3nrz s THR 1135N 1.77 2.88 0.58 4.11 2.01 -0.82 -4.97 115.64 121.19 3nrz s THR 1135Ca 0.05 0.38 -0.15 0.00 0.31 0.00 0.00 61.69 62.27 3nrz s THR 1135Cb -0.13 -3.24 -0.05 0.00 0.01 0.00 0.00 72.50 69.09 3nrz s THR 1135CO -0.07 0.00 1.03 -2.16 -0.69 0.00 0.00 174.62 172.73 3nrz s PRO 1136N 2.54 3.50 -1.38 4.92 0.04 -1.26 -4.43 135.00 138.92 3nrz s PRO 1136Ca 0.75 1.08 -0.08 0.00 0.04 0.00 0.00 61.00 62.79 3nrz s PRO 1136Cb -0.42 -2.06 0.03 0.00 0.04 0.00 0.00 34.50 32.09 3nrz s PRO 1136CO 0.33 -0.65 1.07 0.09 0.04 0.00 0.00 177.00 177.88 3nrz n ASN 1137N -2.01 -4.92 -4.51 6.66 3.02 -1.26 -4.99 115.26 107.25 3nrz n ASN 1137Ca 0.08 -0.64 -0.34 0.00 -0.03 0.00 0.00 54.58 53.65 3nrz n ASN 1137Cb 0.53 -4.67 -0.12 0.00 -0.61 0.00 0.00 39.78 34.92 3nrz n ASN 1137CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3nrz s LEU 1138N -7.12 3.09 0.00 3.41 1.43 -1.26 -4.43 118.68 113.80 3nrz s LEU 1138Ca 0.48 -0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.46 3nrz s LEU 1138Cb -0.22 -1.70 0.00 0.00 0.03 0.00 0.00 46.19 44.30 3nrz s LEU 1138CO 0.76 0.27 0.00 0.61 0.23 0.00 0.00 176.35 178.22 3nrz n GLY 1139N 2.87 -1.82 3.76 -3.19 0.00 0.02 -4.95 105.19 101.88 3nrz n GLY 1139Ca -0.18 0.77 -0.40 0.00 0.00 0.00 0.00 46.02 46.22 3nrz n GLY 1139CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3nrz s TYR 1140N 0.00 3.63 -0.15 1.61 5.04 -1.06 -4.38 117.35 122.03 3nrz s TYR 1140Ca 0.00 1.74 0.01 0.00 -2.44 0.00 0.00 57.07 56.38 3nrz s TYR 1140Cb 0.00 -3.18 0.00 0.00 0.35 0.00 0.00 41.96 39.13 3nrz s TYR 1140CO 0.00 -0.31 -0.17 0.45 -1.34 0.00 0.00 175.55 174.18 3nrz s SER 1141N -1.08 3.49 0.53 4.32 0.15 -0.06 -4.99 113.70 116.07 3nrz s SER 1141Ca 0.46 -0.51 0.32 0.00 0.70 0.00 0.00 55.95 56.91 3nrz s SER 1141Cb -0.29 -1.53 1.27 0.00 -1.71 0.00 0.00 66.02 63.77 3nrz s SER 1141CO 0.36 0.08 1.95 -0.26 1.20 0.00 0.00 173.24 176.58 3nrz h PHE 1142N 7.32 0.00 -2.95 3.44 -1.00 -1.94 -1.38 116.94 120.43 3nrz h PHE 1142Ca -0.33 0.00 -0.75 0.00 2.81 0.00 0.00 57.97 59.70 3nrz h PHE 1142Cb 1.19 0.00 -0.32 0.00 3.61 0.00 0.00 35.95 40.43 3nrz h PHE 1142CO 0.49 0.04 0.35 -0.85 -1.61 0.00 0.00 178.31 176.74 3nrz n GLU 1143N -3.16 3.70 0.00 1.51 0.28 -1.26 -4.20 120.64 117.52 3nrz n GLU 1143Ca 0.00 -4.55 0.00 0.00 -0.16 0.00 0.00 57.16 52.45 3nrz n GLU 1143Cb 0.33 -2.46 0.00 0.00 1.43 0.00 0.00 31.44 30.74 3nrz n GLU 1143CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 3nrz n THR 1144N 1.60 0.00 -4.10 3.84 -2.24 -1.23 -4.97 114.28 107.18 3nrz n THR 1144Ca 0.26 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.69 3nrz n THR 1144Cb 0.36 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.56 3nrz n THR 1144CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3nrz n ASN 1145N 0.00 -1.54 -3.81 3.42 5.15 -0.53 -4.97 115.26 112.98 3nrz n ASN 1145Ca 0.00 -1.20 -0.10 0.00 -0.60 0.00 0.00 54.58 52.69 3nrz n ASN 1145Cb 0.00 -2.13 -0.05 0.00 -0.53 0.00 0.00 39.78 37.06 3nrz n ASN 1145CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 3nrz s SER 1146N -4.03 -0.11 0.00 1.20 1.04 -1.19 -4.57 113.70 106.04 3nrz s SER 1146Ca 0.20 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 56.03 3nrz s SER 1146Cb -0.10 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.50 3nrz s SER 1146CO 0.95 -0.92 0.00 0.61 0.98 0.00 0.00 173.24 174.86 3nrz n GLY 1147N -0.24 0.76 3.69 7.32 0.00 -1.26 -0.88 105.19 114.58 3nrz n GLY 1147Ca -0.11 -1.48 -0.42 0.00 0.00 0.00 0.00 46.02 44.02 3nrz n GLY 1147CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3nrz s ASN 1148N -0.56 6.47 0.03 1.61 0.01 -1.26 -3.98 114.94 117.26 3nrz s ASN 1148Ca 0.00 2.69 0.04 0.00 -0.71 0.00 0.00 52.86 54.87 3nrz s ASN 1148Cb 0.00 -2.57 -0.25 0.00 0.41 0.00 0.00 41.25 38.85 3nrz s ASN 1148CO 0.00 -0.97 0.94 0.00 -1.51 0.00 0.00 177.10 175.56 3nrz h ALA 1149N 8.54 0.41 -2.46 0.60 0.00 -1.90 0.15 119.26 124.60 3nrz h ALA 1149Ca -0.45 -1.13 -0.37 0.00 0.00 0.00 0.00 54.91 52.96 3nrz h ALA 1149Cb 1.21 0.19 -0.16 0.00 0.00 0.00 0.00 17.79 19.04 3nrz h ALA 1149CO 0.94 1.28 -0.73 -0.06 0.00 0.00 0.00 179.25 180.68 3nrz s PHE 1150N -2.64 1.37 0.03 0.00 0.40 -1.26 -4.79 117.98 111.08 3nrz s PHE 1150Ca -0.05 -0.66 -0.17 0.00 -0.60 0.00 0.00 56.93 55.45 3nrz s PHE 1150Cb 0.08 -0.69 -0.29 0.00 0.51 0.00 0.00 43.02 42.63 3nrz s PHE 1150CO 0.84 0.14 1.07 1.25 0.70 0.00 0.00 175.22 179.22 3nrz h HIS 1151N 3.01 0.88 -2.70 0.36 2.76 -1.48 -3.48 115.15 114.50 3nrz h HIS 1151Ca -0.38 -0.55 0.07 0.00 -2.20 0.00 0.00 60.37 57.31 3nrz h HIS 1151Cb 1.20 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 30.08 3nrz h HIS 1151CO 0.66 1.40 0.42 2.48 -1.30 0.00 0.00 177.93 181.59 3nrz n TYR 1152N -3.92 -1.76 -4.70 5.26 0.18 -1.25 -5.03 117.16 105.94 3nrz n TYR 1152Ca -0.13 -1.45 -0.27 0.00 1.88 0.00 0.00 57.90 57.93 3nrz n TYR 1152Cb 0.91 0.72 -0.14 0.00 -0.38 0.00 0.00 39.34 40.44 3nrz n TYR 1152CO 0.00 0.00 0.00 -0.06 -2.08 0.00 0.00 176.86 174.72 3nrz s PHE 1153N -2.45 1.92 -0.07 -3.48 0.40 -1.26 -1.00 117.98 112.05 3nrz s PHE 1153Ca 0.19 -0.38 -0.05 0.00 -0.60 0.00 0.00 56.93 56.08 3nrz s PHE 1153Cb -0.04 -1.15 -0.04 0.00 0.51 0.00 0.00 43.02 42.31 3nrz s PHE 1153CO 0.08 0.10 0.16 0.99 0.70 0.00 0.00 175.22 177.25 3nrz s THR 1154N -0.80 5.47 0.12 0.64 2.01 -0.20 -4.92 115.64 117.97 3nrz s THR 1154Ca 0.08 0.04 0.06 0.00 0.31 0.00 0.00 61.69 62.18 3nrz s THR 1154Cb -0.09 -3.47 -0.04 0.00 0.01 0.00 0.00 72.50 68.92 3nrz s THR 1154CO 0.02 0.48 -0.14 -0.31 -0.69 0.00 0.00 174.62 173.98 3nrz s TYR 1155N -1.17 1.39 0.05 4.92 1.51 -1.25 -0.84 117.35 121.96 3nrz s TYR 1155Ca 0.21 -0.56 -0.27 0.00 -1.01 0.00 0.00 57.07 55.43 3nrz s TYR 1155Cb -0.12 -0.73 0.09 0.00 -0.11 0.00 0.00 41.96 41.09 3nrz s TYR 1155CO 0.11 0.14 0.93 0.20 -1.11 0.00 0.00 175.55 175.82 3nrz s GLY 1156N -2.47 -0.37 0.01 0.71 0.00 -0.93 -0.60 107.32 103.67 3nrz s GLY 1156Ca 0.09 0.68 0.01 0.00 0.00 0.00 0.00 44.72 45.50 3nrz s GLY 1156CO 0.03 0.21 -0.04 0.14 0.00 0.00 0.00 173.10 173.43 3nrz s VAL 1157N -3.15 0.30 -0.01 1.40 1.01 -0.08 -0.54 120.40 119.33 3nrz s VAL 1157Ca 0.08 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 61.68 3nrz s VAL 1157Cb -0.01 -0.30 -0.00 0.00 0.00 0.00 0.00 36.38 36.06 3nrz s VAL 1157CO -0.05 -0.07 -0.07 0.00 0.00 0.00 0.00 175.10 174.92 3nrz s ALA 1158N -0.47 0.58 -0.13 5.51 0.00 -0.59 -1.19 121.76 125.48 3nrz s ALA 1158Ca -0.03 -0.29 0.03 0.00 0.00 0.00 0.00 51.96 51.68 3nrz s ALA 1158Cb -0.04 -0.16 0.01 0.00 0.00 0.00 0.00 23.12 22.93 3nrz s ALA 1158CO -0.00 0.13 -0.22 0.00 0.00 0.00 0.00 175.76 175.67 3nrz s SER 1160N 0.72 1.81 -0.04 0.00 0.01 -0.44 -0.31 113.70 115.45 3nrz s SER 1160Ca -0.09 -0.57 0.04 0.00 1.31 0.00 0.00 55.95 56.64 3nrz s SER 1160Cb -0.16 -0.09 -0.00 0.00 0.21 0.00 0.00 66.02 65.98 3nrz s SER 1160CO 0.00 -0.01 -0.16 -0.70 0.41 0.00 0.00 173.24 172.78 3nrz s GLU 1161N -1.54 1.62 0.15 12.44 2.12 0.39 -1.67 118.70 132.21 3nrz s GLU 1161Ca 0.01 -0.57 0.05 0.00 0.36 0.00 0.00 54.97 54.82 3nrz s GLU 1161Cb -0.09 -1.44 -0.04 0.00 0.26 0.00 0.00 34.13 32.82 3nrz s GLU 1161CO 0.02 0.24 -0.11 0.14 -0.54 0.00 0.00 175.26 175.02 3nrz s VAL 1162N 0.00 1.22 -0.13 3.70 -7.23 -0.64 -1.21 120.40 116.11 3nrz s VAL 1162Ca -0.02 -2.03 0.02 0.00 -1.81 0.00 0.00 61.98 58.15 3nrz s VAL 1162Cb -0.10 -1.81 0.01 0.00 0.56 0.00 0.00 36.38 35.03 3nrz s VAL 1162CO 0.02 -0.70 -0.20 -0.70 -0.31 0.00 0.00 175.10 173.20 3nrz s GLU 1163N -3.60 2.78 -0.04 4.82 2.12 -0.40 -1.67 118.70 122.70 3nrz s GLU 1163Ca 0.16 -0.77 -0.02 0.00 0.36 0.00 0.00 54.97 54.70 3nrz s GLU 1163Cb 0.01 -2.25 -0.04 0.00 0.26 0.00 0.00 34.13 32.12 3nrz s GLU 1163CO 0.01 -0.01 0.09 0.96 -0.54 0.00 0.00 175.26 175.78 3nrz s ILE 1164N 0.81 4.91 -0.53 -3.70 -4.36 0.78 -0.05 121.20 119.05 3nrz s ILE 1164Ca -0.08 -0.23 -0.19 0.00 -0.26 0.00 0.00 60.65 59.88 3nrz s ILE 1164Cb -0.16 -3.21 0.07 0.00 1.25 0.00 0.00 42.46 40.42 3nrz s ILE 1164CO -0.01 0.44 0.66 -0.62 0.24 0.00 0.00 174.94 175.65 3nrz s ASP 1165N -1.50 6.21 0.40 4.36 -1.08 0.34 -2.03 116.67 123.38 3nrz s ASP 1165Ca 0.20 -1.04 0.28 0.00 -0.52 0.00 0.00 52.55 51.47 3nrz s ASP 1165Cb -0.12 -2.30 1.39 0.00 -1.46 0.00 0.00 42.92 40.43 3nrz s ASP 1165CO 0.11 -0.97 1.84 0.00 0.52 0.00 0.00 175.17 176.67 3nrz n LEU 1167N -2.49 0.59 0.00 0.00 4.77 -1.26 -4.54 117.00 114.07 3nrz n LEU 1167Ca -0.01 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 3nrz n LEU 1167Cb 0.11 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 3nrz n LEU 1167CO 0.16 -0.04 -0.43 0.35 -1.33 0.00 0.00 177.39 176.09 3nrz n THR 1168N -2.24 0.00 -0.35 -5.08 -2.24 -1.00 -5.02 114.28 98.35 3nrz n THR 1168Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3nrz n THR 1168Cb 0.49 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 3nrz n THR 1168CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3nrz n GLY 1169N 2.34 1.40 3.76 3.38 0.00 0.01 -4.77 105.19 111.32 3nrz n GLY 1169Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3nrz n GLY 1169CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3nrz s ASP 1170N -3.16 4.75 0.10 1.61 -1.08 -1.25 -4.15 116.67 113.49 3nrz s ASP 1170Ca 0.00 1.96 -0.03 0.00 -0.52 0.00 0.00 52.55 53.96 3nrz s ASP 1170Cb 0.00 -2.54 -0.03 0.00 -1.46 0.00 0.00 42.92 38.89 3nrz s ASP 1170CO 0.00 -1.87 0.07 -1.38 0.52 0.00 0.00 175.17 172.51 3nrz s HIS 1171N -2.54 0.59 -0.08 -5.34 -3.43 -1.26 -0.50 115.29 102.73 3nrz s HIS 1171Ca 0.65 -1.03 0.04 0.00 -0.80 0.00 0.00 55.06 53.92 3nrz s HIS 1171Cb -0.20 -0.34 -0.00 0.00 -1.43 0.00 0.00 32.58 30.61 3nrz s HIS 1171CO 0.48 -0.50 -0.22 0.15 -2.00 0.00 0.00 174.74 172.65 3nrz s LYS 1172N -3.97 2.60 -0.46 -0.38 1.02 0.93 -4.97 119.74 114.51 3nrz s LYS 1172Ca 0.15 -0.79 -0.25 0.00 0.02 0.00 0.00 55.97 55.10 3nrz s LYS 1172Cb 0.07 -2.06 0.03 0.00 -0.52 0.00 0.00 37.83 35.34 3nrz s LYS 1172CO -0.04 0.22 0.87 -0.80 -0.92 0.00 0.00 175.35 174.68 3nrz s ASN 1173N 0.22 6.46 -0.14 2.83 0.01 -1.26 -1.28 114.94 121.78 3nrz s ASN 1173Ca -0.13 0.02 -0.20 0.00 -0.71 0.00 0.00 52.86 51.84 3nrz s ASN 1173Cb -0.16 -2.43 -0.24 0.00 0.41 0.00 0.00 41.25 38.83 3nrz s ASN 1173CO 0.06 -1.00 0.49 -0.07 -1.51 0.00 0.00 177.10 175.07 3nrz h LEU 1174N 10.42 0.19 -7.03 0.60 3.38 -1.52 -1.84 115.31 119.51 3nrz h LEU 1174Ca -0.24 -0.77 -0.05 0.00 0.09 0.00 0.00 57.88 56.90 3nrz h LEU 1174Cb 1.08 -0.06 -0.21 0.00 0.09 0.00 0.00 40.66 41.56 3nrz h LEU 1174CO 1.00 1.46 0.11 -0.60 0.09 0.00 0.00 178.44 180.50 3nrz s ARG 1175N -2.39 0.83 -0.02 1.13 3.52 -1.19 -1.82 118.95 119.02 3nrz s ARG 1175Ca -0.23 0.89 0.01 0.00 -0.13 0.00 0.00 55.73 56.28 3nrz s ARG 1175Cb 0.03 0.40 0.01 0.00 -1.56 0.00 0.00 34.95 33.84 3nrz s ARG 1175CO 0.70 -0.12 -0.03 0.99 -0.81 0.00 0.00 175.30 176.03 3nrz s THR 1176N 0.21 0.37 -0.09 4.11 2.01 -0.31 -0.46 115.64 121.46 3nrz s THR 1176Ca -0.01 -0.09 0.04 0.00 0.31 0.00 0.00 61.69 61.93 3nrz s THR 1176Cb -0.04 -0.38 -0.01 0.00 0.01 0.00 0.00 72.50 72.08 3nrz s THR 1176CO 0.02 0.16 -0.21 -1.81 -0.69 0.00 0.00 174.62 172.08 3nrz s ASP 1177N 0.56 3.34 -0.03 3.53 1.01 0.58 -0.90 116.67 124.75 3nrz s ASP 1177Ca -0.06 -0.48 0.05 0.00 0.71 0.00 0.00 52.55 52.77 3nrz s ASP 1177Cb -0.10 -1.30 -0.01 0.00 1.01 0.00 0.00 42.92 42.52 3nrz s ASP 1177CO -0.01 0.19 -0.19 -0.63 0.21 0.00 0.00 175.17 174.75 3nrz s ILE 1178N 0.18 1.52 -0.14 0.77 1.01 0.13 -0.81 121.20 123.86 3nrz s ILE 1178Ca -0.12 -0.79 0.01 0.00 0.00 0.00 0.00 60.65 59.75 3nrz s ILE 1178Cb -0.16 -1.29 0.02 0.00 0.01 0.00 0.00 42.46 41.04 3nrz s ILE 1178CO 0.07 0.43 -0.15 -0.69 0.00 0.00 0.00 174.94 174.60 3nrz s VAL 1179N -0.16 1.56 -0.05 2.92 1.01 -0.33 -0.36 120.40 124.99 3nrz s VAL 1179Ca 0.00 -0.64 0.06 0.00 0.00 0.00 0.00 61.98 61.40 3nrz s VAL 1179Cb -0.10 -1.45 -0.01 0.00 0.00 0.00 0.00 36.38 34.82 3nrz s VAL 1179CO 0.01 0.46 -0.24 -0.04 0.00 0.00 0.00 175.10 175.29 3nrz s MET 1180N 1.32 2.30 -0.49 2.72 -1.94 -0.42 -0.90 119.30 121.89 3nrz s MET 1180Ca 0.01 -0.85 -0.21 0.00 -1.71 0.00 0.00 55.69 52.93 3nrz s MET 1180Cb -0.13 -2.01 0.04 0.00 2.01 0.00 0.00 34.83 34.74 3nrz s MET 1180CO -0.08 0.39 0.69 0.34 -0.01 0.00 0.00 175.02 176.35 3nrz s ASP 1181N -0.22 6.29 -0.19 3.03 2.15 0.23 -0.38 116.67 127.58 3nrz s ASP 1181Ca -0.01 -0.58 0.14 0.00 0.43 0.00 0.00 52.55 52.54 3nrz s ASP 1181Cb -0.12 -2.33 0.40 0.00 -0.30 0.00 0.00 42.92 40.57 3nrz s ASP 1181CO 0.02 -0.90 1.25 1.33 -0.17 0.00 0.00 175.17 176.70 3nrz n VAL 1182N 5.82 2.15 -4.77 1.11 0.24 -1.26 -3.80 118.33 117.82 3nrz n VAL 1182Ca -0.03 -2.67 0.00 0.00 -2.04 0.00 0.00 64.34 59.60 3nrz n VAL 1182Cb 0.47 -0.25 0.00 0.00 -1.47 0.00 0.00 33.84 32.58 3nrz n VAL 1182CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3nrz n GLY 1183N -1.17 1.30 3.46 7.63 0.00 -1.26 -1.79 105.19 113.36 3nrz n GLY 1183Ca 0.20 -0.64 -0.44 0.00 0.00 0.00 0.00 46.02 45.15 3nrz n GLY 1183CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3nrz s SER 1184N -4.00 6.24 0.25 1.61 0.01 0.18 -4.72 113.70 113.29 3nrz s SER 1184Ca 0.00 -0.81 -0.30 0.00 1.31 0.00 0.00 55.95 56.14 3nrz s SER 1184Cb 0.00 -2.31 -0.11 0.00 0.21 0.00 0.00 66.02 63.81 3nrz s SER 1184CO 0.00 -0.94 1.55 -0.55 0.41 0.00 0.00 173.24 173.71 3nrz s SER 1185N 2.70 6.49 0.29 2.44 0.15 -1.26 -3.36 113.70 121.16 3nrz s SER 1185Ca 0.18 2.81 0.04 0.00 0.70 0.00 0.00 55.95 59.67 3nrz s SER 1185Cb -0.18 -2.62 0.45 0.00 -1.71 0.00 0.00 66.02 61.96 3nrz s SER 1185CO 0.13 -0.84 1.73 -0.07 1.20 0.00 0.00 173.24 175.40 3nrz h LEU 1186N 5.34 0.41 -6.26 3.45 3.38 -1.91 -3.30 115.31 116.43 3nrz h LEU 1186Ca -0.46 -0.14 -0.14 0.00 0.09 0.00 0.00 57.88 57.23 3nrz h LEU 1186Cb 1.22 -0.11 -0.27 0.00 0.09 0.00 0.00 40.66 41.58 3nrz h LEU 1186CO 0.82 0.68 -0.50 0.21 0.09 0.00 0.00 178.44 179.74 3nrz s ASN 1187N -6.83 -0.01 0.49 -0.43 3.84 -1.26 0.07 114.94 110.81 3nrz s ASN 1187Ca -0.06 -0.22 0.18 0.00 0.21 0.00 0.00 52.86 52.97 3nrz s ASN 1187Cb 0.14 1.29 1.23 0.00 -0.55 0.00 0.00 41.25 43.35 3nrz s ASN 1187CO 0.78 -0.34 2.07 -0.65 -2.79 0.00 0.00 177.10 176.17 3nrz h PRO 1188N 8.13 0.00 -0.00 0.43 0.11 -1.80 -0.41 132.00 138.45 3nrz h PRO 1188Ca -0.08 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.03 3nrz h PRO 1188Cb 1.13 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 3nrz h PRO 1188CO 0.24 0.11 -0.00 0.00 -0.21 0.00 0.00 178.00 178.14 3nrz h ALA 1189N 1.89 0.00 -0.37 -0.75 0.00 -1.87 -0.07 119.26 118.10 3nrz h ALA 1189Ca -0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3nrz h ALA 1189Cb 0.21 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3nrz h ALA 1189CO 0.01 -0.34 0.19 0.82 0.00 0.00 0.00 179.25 179.94 3nrz h ILE 1190N -0.31 1.16 -0.40 0.00 1.08 -1.78 -1.31 117.51 115.94 3nrz h ILE 1190Ca 0.00 -0.42 -0.04 0.00 -0.39 0.00 0.00 64.86 64.01 3nrz h ILE 1190Cb 0.32 0.77 -0.02 0.00 -3.07 0.00 0.00 36.82 34.82 3nrz h ILE 1190CO 0.00 0.16 0.09 0.44 -0.69 0.00 0.00 178.15 178.16 3nrz h ASP 1191N 0.46 0.61 -0.68 1.72 5.19 -1.07 0.17 116.42 122.81 3nrz h ASP 1191Ca 0.13 -0.24 -0.04 0.00 -0.62 0.00 0.00 57.03 56.26 3nrz h ASP 1191Cb 0.09 -0.16 -0.03 0.00 0.18 0.00 0.00 39.33 39.41 3nrz h ASP 1191CO -0.02 0.69 0.27 0.40 -3.12 0.00 0.00 179.24 177.46 3nrz h ILE 1192N 0.50 1.24 -0.82 0.35 2.04 -1.00 -1.51 117.51 118.31 3nrz h ILE 1192Ca 0.12 -0.78 -0.01 0.00 1.00 0.00 0.00 64.86 65.19 3nrz h ILE 1192Cb 0.32 0.42 -0.04 0.00 -0.74 0.00 0.00 36.82 36.78 3nrz h ILE 1192CO 0.00 0.31 0.46 1.23 0.00 0.00 0.00 178.15 180.15 3nrz h GLY 1193N 1.08 1.22 1.06 5.37 0.00 -0.54 -1.63 103.07 109.64 3nrz h GLY 1193Ca 0.23 -0.54 -0.10 0.00 0.00 0.00 0.00 47.33 46.92 3nrz h GLY 1193CO -0.02 0.52 -0.06 1.46 0.00 0.00 0.00 176.54 178.44 3nrz h GLN 1194N 1.15 0.99 0.07 4.80 1.08 -0.24 -1.56 115.11 121.40 3nrz h GLN 1194Ca 0.29 -0.35 -0.00 0.00 -1.45 0.00 0.00 58.65 57.14 3nrz h GLN 1194Cb 0.01 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.37 3nrz h GLN 1194CO -0.05 1.02 -0.04 0.28 -0.95 0.00 0.00 178.83 179.10 3nrz h VAL 1195N 0.86 0.95 -0.51 -0.54 2.07 -0.87 -0.49 116.25 117.72 3nrz h VAL 1195Ca 0.14 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.61 3nrz h VAL 1195Cb 0.62 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 3nrz h VAL 1195CO 0.04 0.01 0.33 -0.33 0.02 0.00 0.00 177.57 177.65 3nrz h GLU 1196N -0.12 0.68 -0.02 1.57 5.08 -1.34 -0.46 114.58 119.97 3nrz h GLU 1196Ca -0.01 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3nrz h GLU 1196Cb 0.10 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 3nrz h GLU 1196CO 0.02 0.46 0.01 0.78 -1.00 0.00 0.00 179.01 179.27 3nrz h GLY 1197N 0.69 0.02 0.96 -3.84 0.00 -1.23 -0.71 103.07 98.97 3nrz h GLY 1197Ca 0.19 -0.01 -0.05 0.00 0.00 0.00 0.00 47.33 47.46 3nrz h GLY 1197CO -0.04 0.01 0.08 0.00 0.00 0.00 0.00 176.54 176.59 3nrz h ALA 1198N 0.96 0.61 -0.72 3.60 0.00 -1.03 -1.90 119.26 120.77 3nrz h ALA 1198Ca 0.01 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.70 3nrz h ALA 1198Cb 0.04 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 3nrz h ALA 1198CO -0.00 0.32 0.47 0.35 0.00 0.00 0.00 179.25 180.39 3nrz h PHE 1199N 0.62 0.91 -0.42 0.00 3.57 -0.94 -1.10 116.94 119.57 3nrz h PHE 1199Ca 0.14 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.57 3nrz h PHE 1199Cb 0.37 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 3nrz h PHE 1199CO 0.03 0.58 -0.08 0.28 -2.23 0.00 0.00 178.31 176.88 3nrz h VAL 1200N 0.97 1.25 -0.61 1.41 2.07 -0.91 0.62 116.25 121.05 3nrz h VAL 1200Ca 0.26 -1.10 -0.05 0.00 0.82 0.00 0.00 66.70 66.63 3nrz h VAL 1200Cb -0.10 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 3nrz h VAL 1200CO -0.06 0.38 0.17 1.56 0.02 0.00 0.00 177.57 179.64 3nrz h GLN 1201N 0.67 0.95 -0.28 1.57 4.20 -0.91 -1.06 115.11 120.25 3nrz h GLN 1201Ca 0.12 -0.20 -0.02 0.00 0.06 0.00 0.00 58.65 58.62 3nrz h GLN 1201Cb 0.53 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 3nrz h GLN 1201CO 0.03 0.83 0.11 0.78 -0.67 0.00 0.00 178.83 179.91 3nrz h GLY 1202N 1.02 0.45 0.51 3.46 0.00 -0.74 -0.22 103.07 107.55 3nrz h GLY 1202Ca 0.20 -0.25 0.09 0.00 0.00 0.00 0.00 47.33 47.38 3nrz h GLY 1202CO -0.00 0.23 0.43 -2.00 0.00 0.00 0.00 176.54 175.19 3nrz h LEU 1203N 0.29 0.59 -0.04 3.11 5.85 -0.74 -0.19 115.31 124.20 3nrz h LEU 1203Ca 0.09 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.88 3nrz h LEU 1203Cb 0.19 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 3nrz h LEU 1203CO -0.01 0.34 -0.04 1.23 -0.34 0.00 0.00 178.44 179.62 3nrz h GLY 1204N 0.72 -0.01 0.55 3.75 0.00 -0.94 -0.80 103.07 106.35 3nrz h GLY 1204Ca 0.38 0.05 0.06 0.00 0.00 0.00 0.00 47.33 47.81 3nrz h GLY 1204CO -0.25 -0.05 0.12 -2.00 0.00 0.00 0.00 176.54 174.36 3nrz h LEU 1205N -0.05 0.09 0.00 3.11 5.85 -0.50 0.99 115.31 124.80 3nrz h LEU 1205Ca 0.03 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3nrz h LEU 1205Cb 0.09 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.19 3nrz h LEU 1205CO -0.07 0.09 -0.57 0.49 -0.34 0.00 0.00 178.44 178.04 3nrz n PHE 1206N -5.05 0.50 0.00 1.25 3.01 -0.13 -4.28 117.46 112.76 3nrz n PHE 1206Ca 0.03 0.15 0.00 0.00 1.01 0.00 0.00 57.45 58.64 3nrz n PHE 1206Cb 0.18 -0.62 0.00 0.00 -0.01 0.00 0.00 39.48 39.02 3nrz n PHE 1206CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 3nrz n THR 1207N -2.04 0.00 0.00 4.37 -2.24 -0.31 -0.59 114.28 113.47 3nrz n THR 1207Ca 0.04 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 3nrz n THR 1207Cb 0.43 0.46 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 3nrz n THR 1207CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3nrz n LEU 1208N -0.53 0.87 -4.65 3.22 4.32 -0.62 -4.07 117.00 115.54 3nrz n LEU 1208Ca 0.00 0.00 -0.41 0.00 -0.02 0.00 0.00 56.01 55.58 3nrz n LEU 1208Cb 0.00 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 41.75 3nrz n LEU 1208CO 0.00 0.09 0.55 -1.61 -1.22 0.00 0.00 177.39 175.20 3nrz s GLU 1209N -1.47 4.22 -0.04 3.23 2.02 0.25 -4.55 118.70 122.36 3nrz s GLU 1209Ca 0.00 0.86 -0.02 0.00 0.02 0.00 0.00 54.97 55.83 3nrz s GLU 1209Cb 0.00 -3.61 0.03 0.00 0.10 0.00 0.00 34.13 30.65 3nrz s GLU 1209CO 0.00 -0.38 0.04 -2.00 0.02 0.00 0.00 175.26 172.94 3nrz s GLU 1210N 2.36 0.08 -0.05 1.61 2.12 -1.26 -4.68 118.70 118.89 3nrz s GLU 1210Ca 0.34 0.29 -0.17 0.00 0.36 0.00 0.00 54.97 55.79 3nrz s GLU 1210Cb -0.16 -0.58 -0.05 0.00 0.26 0.00 0.00 34.13 33.60 3nrz s GLU 1210CO 0.10 -0.30 0.47 -0.51 -0.54 0.00 0.00 175.26 174.48 3nrz s LEU 1211N 1.97 4.38 -0.05 2.70 1.43 -1.26 -4.83 118.68 123.03 3nrz s LEU 1211Ca 0.03 0.94 0.03 0.00 -1.03 0.00 0.00 54.13 54.09 3nrz s LEU 1211Cb -0.12 -2.69 0.01 0.00 0.03 0.00 0.00 46.19 43.42 3nrz s LEU 1211CO -0.03 0.15 -0.13 -2.28 0.23 0.00 0.00 176.35 174.30 3nrz s HIS 1212N -0.23 1.40 0.11 0.29 2.46 -1.26 -4.99 115.29 113.07 3nrz s HIS 1212Ca 0.26 -0.46 0.09 0.00 0.47 0.00 0.00 55.06 55.42 3nrz s HIS 1212Cb -0.16 -1.00 -0.04 0.00 -0.13 0.00 0.00 32.58 31.25 3nrz s HIS 1212CO 0.13 -0.21 -0.18 0.71 -2.47 0.00 0.00 174.74 172.71 3nrz s TYR 1213N 0.43 2.53 0.82 3.88 1.51 -1.26 0.02 117.35 125.27 3nrz s TYR 1213Ca -0.10 -0.27 -0.11 0.00 -1.01 0.00 0.00 57.07 55.59 3nrz s TYR 1213Cb -0.13 -1.35 0.09 0.00 -0.11 0.00 0.00 41.96 40.46 3nrz s TYR 1213CO 0.03 0.38 1.10 -1.54 -1.11 0.00 0.00 175.55 174.40 3nrz s SER 1214N -2.11 4.04 0.55 2.29 1.04 0.14 -4.87 113.70 114.78 3nrz s SER 1214Ca 0.18 1.83 0.24 0.00 0.48 0.00 0.00 55.95 58.68 3nrz s SER 1214Cb -0.11 -2.47 1.50 0.00 0.10 0.00 0.00 66.02 65.04 3nrz s SER 1214CO 0.10 -2.33 2.12 -0.65 0.98 0.00 0.00 173.24 173.45 3nrz h PRO 1215N -1.34 0.00 -0.00 4.02 0.11 -2.01 0.37 132.00 133.15 3nrz h PRO 1215Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3nrz h PRO 1215Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3nrz h PRO 1215CO 0.50 0.00 -0.00 0.39 -0.21 0.00 0.00 178.00 178.68 3nrz n GLU 1216N -4.18 1.17 -0.42 1.05 4.71 -1.26 -4.92 120.64 116.80 3nrz n GLU 1216Ca 0.01 -0.28 0.00 0.00 -0.01 0.00 0.00 57.16 56.88 3nrz n GLU 1216Cb 0.27 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.21 3nrz n GLU 1216CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3nrz n GLY 1217N 1.06 0.86 3.64 0.62 0.00 0.12 -4.34 105.19 107.14 3nrz n GLY 1217Ca 0.22 -0.39 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 3nrz n GLY 1217CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3nrz s SER 1218N -2.37 5.87 0.03 1.61 0.15 -1.25 -4.58 113.70 113.17 3nrz s SER 1218Ca 0.00 0.09 -0.30 0.00 0.70 0.00 0.00 55.95 56.43 3nrz s SER 1218Cb 0.00 -2.04 -0.08 0.00 -1.71 0.00 0.00 66.02 62.19 3nrz s SER 1218CO 0.00 0.11 1.77 -0.22 1.20 0.00 0.00 173.24 176.10 3nrz s LEU 1219N 0.80 4.38 0.03 3.45 2.96 -1.26 0.24 118.68 129.28 3nrz s LEU 1219Ca 0.06 2.51 -0.08 0.00 -0.22 0.00 0.00 54.13 56.40 3nrz s LEU 1219Cb -0.13 -3.55 -0.31 0.00 0.50 0.00 0.00 46.19 42.71 3nrz s LEU 1219CO 0.02 -0.96 0.98 0.45 -1.32 0.00 0.00 176.35 175.52 3nrz h HIS 1220N 9.36 0.66 -2.87 5.38 3.86 -0.74 -3.44 115.15 127.34 3nrz h HIS 1220Ca -0.44 -0.48 -0.70 0.00 -1.16 0.00 0.00 60.37 57.58 3nrz h HIS 1220Cb 1.21 -0.03 -0.19 0.00 1.06 0.00 0.00 27.41 29.46 3nrz h HIS 1220CO 0.86 1.43 0.35 0.95 0.86 0.00 0.00 177.93 182.39 3nrz s THR 1221N -2.62 4.84 -0.04 2.45 -4.23 -1.24 -4.84 115.64 109.96 3nrz s THR 1221Ca -0.08 -1.27 0.06 0.00 -1.18 0.00 0.00 61.69 59.22 3nrz s THR 1221Cb 0.06 -4.59 0.09 0.00 1.34 0.00 0.00 72.50 69.40 3nrz s THR 1221CO 0.89 -1.25 0.98 0.54 -0.54 0.00 0.00 174.62 175.24 3nrz n ARG 1222N 6.24 1.89 -3.82 3.99 1.74 -1.26 -4.84 116.66 120.59 3nrz n ARG 1222Ca 0.03 -1.67 -0.04 0.00 -0.77 0.00 0.00 57.85 55.40 3nrz n ARG 1222Cb 0.45 -1.05 0.01 0.00 -1.02 0.00 0.00 32.46 30.84 3nrz n ARG 1222CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3nrz s GLY 1223N -1.45 0.01 0.30 -0.13 0.00 -1.26 -3.58 107.32 101.21 3nrz s GLY 1223Ca 0.10 -0.22 0.24 0.00 0.00 0.00 0.00 44.72 44.84 3nrz s GLY 1223CO 0.01 1.07 1.73 -0.56 0.00 0.00 0.00 173.10 175.34 3nrz h PRO 1224N 2.00 0.00 0.00 2.90 0.13 -1.98 0.14 132.00 135.19 3nrz h PRO 1224Ca -0.27 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.80 3nrz h PRO 1224Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 3nrz h PRO 1224CO 0.32 0.00 -0.29 0.66 -0.23 0.00 0.00 178.00 178.46 3nrz h SER 1225N 0.00 0.00 0.00 1.44 4.64 -2.02 -3.34 113.55 114.27 3nrz h SER 1225Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3nrz h SER 1225Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 3nrz h SER 1225CO 0.00 0.29 -0.32 0.35 -0.87 0.00 0.00 176.83 176.28 3nrz n THR 1226N -3.44 0.00 -4.05 2.95 -2.24 -0.80 -4.94 114.28 101.76 3nrz n THR 1226Ca 0.00 -0.34 -0.32 0.00 -2.27 0.00 0.00 64.05 61.13 3nrz n THR 1226Cb 0.48 0.84 -0.16 0.00 -2.10 0.00 0.00 70.33 69.39 3nrz n THR 1226CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3nrz s TYR 1227N -1.32 2.86 -0.46 4.78 5.04 0.43 -4.86 117.35 123.82 3nrz s TYR 1227Ca 0.00 -1.93 -0.13 0.00 -2.44 0.00 0.00 57.07 52.57 3nrz s TYR 1227Cb 0.00 -1.82 0.09 0.00 0.35 0.00 0.00 41.96 40.57 3nrz s TYR 1227CO 0.00 -0.82 0.36 0.15 -1.34 0.00 0.00 175.55 173.90 3nrz s LYS 1228N 1.24 2.79 0.54 4.97 -0.14 -1.26 -4.25 119.74 123.63 3nrz s LYS 1228Ca -0.03 -1.49 -0.10 0.00 -1.36 0.00 0.00 55.97 52.98 3nrz s LYS 1228Cb -0.17 -4.01 -0.05 0.00 -1.68 0.00 0.00 37.83 31.92 3nrz s LYS 1228CO -0.08 -1.07 0.92 0.96 -0.76 0.00 0.00 175.35 175.33 3nrz s ILE 1229N 1.53 4.75 0.30 2.17 -4.36 -1.26 -3.81 121.20 120.51 3nrz s ILE 1229Ca 0.04 0.71 -0.28 0.00 -0.26 0.00 0.00 60.65 60.86 3nrz s ILE 1229Cb -0.25 -3.83 -0.13 0.00 1.25 0.00 0.00 42.46 39.50 3nrz s ILE 1229CO 0.04 -0.92 1.15 -2.65 0.24 0.00 0.00 174.94 172.80 3nrz n PRO 1230N -2.25 1.70 -4.24 0.37 -0.02 -1.26 -5.00 135.00 124.29 3nrz n PRO 1230Ca 0.04 0.60 -0.27 0.00 -2.02 0.00 0.00 63.50 61.85 3nrz n PRO 1230Cb 0.54 -2.07 -0.07 0.00 -0.02 0.00 0.00 33.50 31.89 3nrz n PRO 1230CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3nrz s ALA 1231N -0.99 3.76 0.27 3.55 0.00 -1.26 -4.97 121.76 122.12 3nrz s ALA 1231Ca 0.58 -1.72 -0.00 0.00 0.00 0.00 0.00 51.96 50.82 3nrz s ALA 1231Cb -0.65 -0.31 0.61 0.00 0.00 0.00 0.00 23.12 22.76 3nrz s ALA 1231CO 0.60 -0.18 1.68 0.74 0.00 0.00 0.00 175.76 178.60 3nrz h PHE 1232N 1.34 0.42 0.00 0.00 -1.00 -2.00 0.12 116.94 115.81 3nrz h PHE 1232Ca -0.42 0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.40 3nrz h PHE 1232Cb 1.27 -0.06 0.00 0.00 3.61 0.00 0.00 35.95 40.77 3nrz h PHE 1232CO 0.84 -0.10 0.00 0.41 -1.61 0.00 0.00 178.31 177.85 3nrz n GLY 1233N -1.36 -0.95 0.12 -1.45 0.00 -1.26 -3.73 105.19 96.56 3nrz n GLY 1233Ca 0.18 -0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.22 3nrz n GLY 1233CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3nrz h SER 1234N 0.00 0.00 -4.12 1.61 0.02 -1.14 -3.48 113.55 106.44 3nrz h SER 1234Ca 0.00 -0.04 -0.47 0.00 -0.84 0.00 0.00 61.79 60.44 3nrz h SER 1234Cb 0.18 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.74 3nrz h SER 1234CO 0.00 0.02 0.37 0.27 -1.14 0.00 0.00 176.83 176.35 3nrz s ILE 1235N -3.30 4.18 0.27 3.27 -4.36 -1.24 -4.72 121.20 115.29 3nrz s ILE 1235Ca 0.02 1.21 -0.30 0.00 -0.26 0.00 0.00 60.65 61.32 3nrz s ILE 1235Cb 0.10 -3.56 -0.13 0.00 1.25 0.00 0.00 42.46 40.12 3nrz s ILE 1235CO 0.76 -0.43 1.29 -2.65 0.24 0.00 0.00 174.94 174.15 3nrz n PRO 1236N -1.22 1.88 -0.26 0.37 -0.02 -1.26 -4.83 135.00 129.65 3nrz n PRO 1236Ca 0.08 0.66 0.06 0.00 -2.02 0.00 0.00 63.50 62.28 3nrz n PRO 1236Cb 0.53 -2.24 0.19 0.00 -0.02 0.00 0.00 33.50 31.97 3nrz n PRO 1236CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3nrz h THR 1237N 2.72 0.68 -3.40 3.45 2.02 -1.22 -3.35 112.91 113.80 3nrz h THR 1237Ca -0.44 -0.17 -0.65 0.00 0.77 0.00 0.00 66.41 65.92 3nrz h THR 1237Cb 1.29 0.15 -0.26 0.00 -1.74 0.00 0.00 68.15 67.59 3nrz h THR 1237CO 0.69 0.09 -0.71 -1.61 0.37 0.00 0.00 175.52 174.35 3nrz s GLU 1238N -6.01 3.45 -0.30 6.66 0.41 -0.75 -5.01 118.70 117.15 3nrz s GLU 1238Ca -0.12 -0.60 -0.02 0.00 -0.41 0.00 0.00 54.97 53.82 3nrz s GLU 1238Cb 0.21 -2.99 0.10 0.00 -1.78 0.00 0.00 34.13 29.66 3nrz s GLU 1238CO 0.77 -0.10 0.10 0.12 -0.49 0.00 0.00 175.26 175.66 3nrz s PHE 1239N 1.24 1.20 -0.15 1.61 5.99 -1.26 -1.17 117.98 125.45 3nrz s PHE 1239Ca 0.03 -1.39 0.01 0.00 0.00 0.00 0.00 56.93 55.57 3nrz s PHE 1239Cb -0.14 -1.40 -0.00 0.00 0.00 0.00 0.00 43.02 41.47 3nrz s PHE 1239CO -0.01 -0.84 -0.16 1.03 -0.00 0.00 0.00 175.22 175.23 3nrz s ARG 1240N 1.79 3.18 -0.10 10.12 0.52 -0.08 -5.01 118.95 129.37 3nrz s ARG 1240Ca 0.09 -0.77 0.03 0.00 -0.52 0.00 0.00 55.73 54.56 3nrz s ARG 1240Cb -0.17 -2.59 0.01 0.00 0.52 0.00 0.00 34.95 32.72 3nrz s ARG 1240CO -0.28 0.02 -0.19 0.08 0.02 0.00 0.00 175.30 174.95 3nrz s VAL 1241N 0.80 1.70 0.03 3.52 1.01 -1.26 0.18 120.40 126.38 3nrz s VAL 1241Ca -0.06 -0.79 0.08 0.00 0.00 0.00 0.00 61.98 61.21 3nrz s VAL 1241Cb -0.15 -1.51 -0.02 0.00 0.00 0.00 0.00 36.38 34.69 3nrz s VAL 1241CO -0.00 0.48 -0.24 -0.44 0.00 0.00 0.00 175.10 174.90 3nrz s SER 1242N 0.66 2.82 -0.18 3.32 0.01 0.51 -4.97 113.70 115.87 3nrz s SER 1242Ca -0.13 -0.52 -0.13 0.00 1.31 0.00 0.00 55.95 56.48 3nrz s SER 1242Cb -0.16 -0.26 -0.05 0.00 0.21 0.00 0.00 66.02 65.76 3nrz s SER 1242CO 0.03 0.23 0.27 -0.76 0.41 0.00 0.00 173.24 173.43 3nrz s LEU 1243N -1.04 4.20 0.25 2.44 1.43 -1.26 -1.30 118.68 123.39 3nrz s LEU 1243Ca 0.10 0.42 -0.31 0.00 -1.03 0.00 0.00 54.13 53.30 3nrz s LEU 1243Cb -0.09 -2.32 -0.13 0.00 0.03 0.00 0.00 46.19 43.67 3nrz s LEU 1243CO 0.01 0.07 1.42 -0.11 0.23 0.00 0.00 176.35 177.97 3nrz n LEU 1244N 3.84 3.23 -4.91 1.79 7.94 0.49 -4.91 117.00 124.47 3nrz n LEU 1244Ca -0.12 1.14 -0.28 0.00 -1.11 0.00 0.00 56.01 55.65 3nrz n LEU 1244Cb 0.52 -1.44 -0.02 0.00 0.53 0.00 0.00 43.42 43.00 3nrz n LEU 1244CO 0.39 -0.43 0.31 -0.13 -1.11 0.00 0.00 177.39 176.42 3nrz s ARG 1245N -0.45 3.61 -1.21 1.96 0.52 -1.26 -4.59 118.95 117.53 3nrz s ARG 1245Ca 0.67 0.09 -0.08 0.00 -0.52 0.00 0.00 55.73 55.89 3nrz s ARG 1245Cb -0.63 -2.52 -0.02 0.00 0.52 0.00 0.00 34.95 32.30 3nrz s ARG 1245CO 0.50 0.03 0.76 -0.25 0.02 0.00 0.00 175.30 176.36 3nrz n ASP 1246N -1.54 -3.47 -3.19 0.23 8.00 -1.26 -4.97 116.55 110.34 3nrz n ASP 1246Ca -0.01 -0.87 -0.21 0.00 0.71 0.00 0.00 54.79 54.40 3nrz n ASP 1246Cb 0.55 -4.00 -0.05 0.00 -0.02 0.00 0.00 41.12 37.59 3nrz n ASP 1246CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3nrz s PRO 1248N -1.70 3.97 -0.48 0.00 0.04 -1.26 -4.00 135.00 131.56 3nrz s PRO 1248Ca 0.37 1.94 -0.14 0.00 0.04 0.00 0.00 61.00 63.21 3nrz s PRO 1248Cb 0.25 -2.66 0.09 0.00 0.04 0.00 0.00 34.50 32.22 3nrz s PRO 1248CO -0.10 -0.42 0.40 1.21 0.04 0.00 0.00 177.00 178.14 3nrz s ASN 1249N -1.03 6.05 0.61 6.66 2.47 -0.65 -4.93 114.94 124.13 3nrz s ASN 1249Ca 0.58 -1.54 0.30 0.00 0.42 0.00 0.00 52.86 52.63 3nrz s ASN 1249Cb -0.33 -2.15 1.67 0.00 -1.45 0.00 0.00 41.25 38.99 3nrz s ASN 1249CO 0.42 -0.70 2.02 0.11 -3.72 0.00 0.00 177.10 175.23 3nrz h LYS 1250N 8.72 0.00 0.00 0.43 1.57 -1.92 -2.98 116.57 122.39 3nrz h LYS 1250Ca -0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 3nrz h LYS 1250Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.41 3nrz h LYS 1250CO 0.91 0.00 -0.24 1.63 -0.57 0.00 0.00 179.45 181.18 3nrz n LYS 1251N -3.49 0.04 -4.18 3.15 4.76 -1.26 -4.93 118.16 112.26 3nrz n LYS 1251Ca 0.02 0.02 -0.11 0.00 -2.87 0.00 0.00 58.31 55.38 3nrz n LYS 1251Cb 0.41 -1.54 -0.10 0.00 -1.84 0.00 0.00 35.03 31.96 3nrz n LYS 1251CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3nrz s ALA 1252N -3.02 1.01 -0.16 7.82 0.00 -1.13 -5.06 121.76 121.22 3nrz s ALA 1252Ca 0.12 -1.48 -0.40 0.00 0.00 0.00 0.00 51.96 50.20 3nrz s ALA 1252Cb 0.17 0.62 -0.17 0.00 0.00 0.00 0.00 23.12 23.74 3nrz s ALA 1252CO 0.62 -0.39 1.50 1.51 0.00 0.00 0.00 175.76 178.99 3nrz n ILE 1253N -0.12 0.12 -3.06 0.00 0.13 -1.26 -0.93 119.36 114.23 3nrz n ILE 1253Ca -0.07 -0.02 -0.19 0.00 -1.10 0.00 0.00 62.75 61.36 3nrz n ILE 1253Cb 0.63 -0.80 -0.00 0.00 -0.84 0.00 0.00 39.64 38.63 3nrz n ILE 1253CO 0.00 0.00 0.00 -1.22 2.80 0.00 0.00 176.55 178.13 3nrz n TYR 1254N 3.70 -1.70 -1.75 9.51 0.53 -1.26 -1.99 117.16 124.20 3nrz n TYR 1254Ca 0.24 0.32 -0.16 0.00 -1.02 0.00 0.00 57.90 57.28 3nrz n TYR 1254Cb 0.11 -2.84 -0.05 0.00 -1.03 0.00 0.00 39.34 35.53 3nrz n TYR 1254CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3nrz n ALA 1255N -3.11 -0.32 -1.94 -0.72 0.00 -0.11 -4.73 120.51 109.58 3nrz n ALA 1255Ca -0.05 0.22 -0.26 0.00 0.00 0.00 0.00 53.44 53.35 3nrz n ALA 1255Cb 0.56 -1.74 0.08 0.00 0.00 0.00 0.00 19.45 18.35 3nrz n ALA 1255CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3nrz s SER 1256N -2.64 4.67 0.07 0.00 1.04 -0.84 -0.64 113.70 115.36 3nrz s SER 1256Ca 0.00 0.34 0.03 0.00 0.48 0.00 0.00 55.95 56.81 3nrz s SER 1256Cb 0.00 -0.94 -0.03 0.00 0.10 0.00 0.00 66.02 65.15 3nrz s SER 1256CO 0.00 -1.68 -0.10 -0.54 0.98 0.00 0.00 173.24 171.90 3nrz s LYS 1257N -5.26 0.72 0.30 4.02 1.02 -0.74 -4.40 119.74 115.41 3nrz s LYS 1257Ca 0.61 -0.95 -0.30 0.00 0.02 0.00 0.00 55.97 55.36 3nrz s LYS 1257Cb -0.10 -0.52 -0.12 0.00 -0.52 0.00 0.00 37.83 36.57 3nrz s LYS 1257CO 0.45 0.10 1.48 0.00 -0.92 0.00 0.00 175.35 176.45 3nrz n ALA 1258N 1.09 1.94 0.00 5.17 0.00 -1.26 -4.84 120.51 122.62 3nrz n ALA 1258Ca -0.20 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.62 3nrz n ALA 1258Cb 0.56 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.63 3nrz n ALA 1258CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 3nrz n VAL 1259N 1.51 0.00 0.26 0.00 3.14 -1.26 -4.83 118.33 117.15 3nrz n VAL 1259Ca 0.08 -0.22 -0.16 0.00 -2.96 0.00 0.00 64.34 61.07 3nrz n VAL 1259Cb 0.36 0.88 -0.08 0.00 -1.06 0.00 0.00 33.84 33.94 3nrz n VAL 1259CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 3nrz h GLY 1260N 0.00 -0.65 0.41 7.55 0.00 -1.92 -3.37 103.07 105.09 3nrz h GLY 1260Ca 0.00 0.24 -0.36 0.00 0.00 0.00 0.00 47.33 47.21 3nrz h GLY 1260CO 0.00 -0.24 -2.15 1.18 0.00 0.00 0.00 176.54 175.33 3nrz n GLU 1261N -5.32 0.70 -0.34 4.80 1.02 -1.26 -4.61 120.64 115.63 3nrz n GLU 1261Ca -0.11 0.21 0.22 0.00 -0.02 0.00 0.00 57.16 57.45 3nrz n GLU 1261Cb 0.28 -1.64 0.48 0.00 -0.02 0.00 0.00 31.44 30.54 3nrz n GLU 1261CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 3nrz h PRO 1262N 0.03 0.41 0.00 3.49 0.11 -1.88 -2.41 132.00 131.75 3nrz h PRO 1262Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3nrz h PRO 1262Cb 2.01 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 33.03 3nrz h PRO 1262CO 0.03 0.27 0.00 -2.30 -0.21 0.00 0.00 178.00 175.79 3nrz n PRO 1263N -4.71 0.23 -0.27 1.05 -0.02 -1.26 -4.00 135.00 126.02 3nrz n PRO 1263Ca 0.27 0.02 -0.04 0.00 -2.02 0.00 0.00 63.50 61.72 3nrz n PRO 1263Cb 0.88 -1.50 0.07 0.00 -0.02 0.00 0.00 33.50 32.93 3nrz n PRO 1263CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3nrz h LEU 1264N 0.00 0.85 -2.12 2.45 6.46 -1.60 -1.73 115.31 119.62 3nrz h LEU 1264Ca 0.00 -0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.74 3nrz h LEU 1264Cb 0.37 -0.21 -0.00 0.00 -0.73 0.00 0.00 40.66 40.09 3nrz h LEU 1264CO 0.00 0.61 -0.01 0.15 -0.62 0.00 0.00 178.44 178.57 3nrz h PHE 1265N 1.00 0.00 0.00 1.25 3.57 -1.79 -1.98 116.94 118.99 3nrz h PHE 1265Ca 0.28 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.78 3nrz h PHE 1265Cb -0.09 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.65 3nrz h PHE 1265CO -0.02 0.01 -0.01 -0.07 -2.23 0.00 0.00 178.31 175.98 3nrz h LEU 1266N 0.00 0.00 -1.98 0.59 3.38 -1.55 0.27 115.31 116.02 3nrz h LEU 1266Ca -0.00 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.06 3nrz h LEU 1266Cb 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3nrz h LEU 1266CO 0.00 0.01 0.41 1.23 0.09 0.00 0.00 178.44 180.18 3nrz h GLY 1267N 0.14 0.00 2.00 0.83 0.00 -1.48 -1.00 103.07 103.56 3nrz h GLY 1267Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3nrz h GLY 1267CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 3nrz h ALA 1268N 1.46 1.00 -0.50 3.60 0.00 -0.66 -2.58 119.26 121.58 3nrz h ALA 1268Ca 0.14 0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.16 3nrz h ALA 1268Cb 0.97 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 3nrz h ALA 1268CO -0.00 0.00 0.35 0.66 0.00 0.00 0.00 179.25 180.25 3nrz h SER 1269N 0.00 0.21 -0.36 0.00 4.64 -1.37 -0.56 113.55 116.11 3nrz h SER 1269Ca 0.00 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.16 3nrz h SER 1269Cb 0.17 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.22 3nrz h SER 1269CO 0.00 0.12 -0.42 0.58 -0.87 0.00 0.00 176.83 176.25 3nrz h VAL 1270N 0.23 1.27 -0.01 0.95 2.07 -1.68 -1.35 116.25 117.74 3nrz h VAL 1270Ca 0.23 -1.59 -0.00 0.00 0.82 0.00 0.00 66.70 66.16 3nrz h VAL 1270Cb 0.62 1.42 -0.00 0.00 -1.52 0.00 0.00 31.29 31.81 3nrz h VAL 1270CO -0.04 0.53 0.00 0.15 0.02 0.00 0.00 177.57 178.23 3nrz h PHE 1271N 0.75 0.01 -0.08 1.57 3.57 -1.26 0.07 116.94 121.58 3nrz h PHE 1271Ca 0.05 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.45 3nrz h PHE 1271Cb 1.02 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.74 3nrz h PHE 1271CO 0.06 0.10 -0.44 0.74 -2.23 0.00 0.00 178.31 176.54 3nrz h PHE 1272N -0.08 0.21 -0.43 0.41 -1.00 -1.29 -0.26 116.94 114.49 3nrz h PHE 1272Ca 0.00 -0.06 0.01 0.00 2.81 0.00 0.00 57.97 60.74 3nrz h PHE 1272Cb 0.09 -0.04 -0.02 0.00 3.61 0.00 0.00 35.95 39.58 3nrz h PHE 1272CO -0.05 0.59 0.27 0.00 -1.61 0.00 0.00 178.31 177.52 3nrz h ALA 1273N 1.41 0.55 -0.80 2.45 0.00 -1.09 -1.37 119.26 120.41 3nrz h ALA 1273Ca 0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3nrz h ALA 1273Cb 0.84 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 3nrz h ALA 1273CO 0.06 -0.03 0.49 0.82 0.00 0.00 0.00 179.25 180.60 3nrz h ILE 1274N 0.56 1.22 -0.57 0.00 2.04 -0.39 -1.83 117.51 118.54 3nrz h ILE 1274Ca 0.17 -0.48 0.00 0.00 1.00 0.00 0.00 64.86 65.55 3nrz h ILE 1274Cb -0.03 0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.12 3nrz h ILE 1274CO -0.05 0.23 0.36 0.50 0.00 0.00 0.00 178.15 179.19 3nrz h LYS 1275N 1.09 0.75 -0.30 2.37 3.64 -0.84 0.46 116.57 123.75 3nrz h LYS 1275Ca 0.29 -0.05 0.06 0.00 -1.27 0.00 0.00 60.65 59.67 3nrz h LYS 1275Cb -0.05 -0.17 -0.06 0.00 -0.41 0.00 0.00 32.23 31.54 3nrz h LYS 1275CO -0.05 0.52 -0.09 0.22 -2.27 0.00 0.00 179.45 177.77 3nrz h ASP 1276N 0.77 -0.32 -0.76 4.20 3.58 -1.09 -0.55 116.42 122.26 3nrz h ASP 1276Ca 0.21 0.09 -0.04 0.00 0.42 0.00 0.00 57.03 57.71 3nrz h ASP 1276Cb -0.06 0.20 -0.03 0.00 1.72 0.00 0.00 39.33 41.15 3nrz h ASP 1276CO -0.04 -0.12 0.33 0.00 -2.88 0.00 0.00 179.24 176.53 3nrz h ALA 1277N 1.26 0.98 -0.64 -0.78 0.00 -0.77 -2.25 119.26 117.06 3nrz h ALA 1277Ca 0.15 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3nrz h ALA 1277Cb 0.24 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3nrz h ALA 1277CO -0.32 0.58 0.29 0.82 0.00 0.00 0.00 179.25 180.62 3nrz h ILE 1278N 1.08 1.23 -0.90 0.00 2.04 -0.51 -1.46 117.51 118.99 3nrz h ILE 1278Ca 0.26 -0.67 0.04 0.00 1.00 0.00 0.00 64.86 65.48 3nrz h ILE 1278Cb 0.17 0.48 -0.05 0.00 -0.74 0.00 0.00 36.82 36.68 3nrz h ILE 1278CO -0.03 0.27 0.59 -0.09 0.00 0.00 0.00 178.15 178.90 3nrz h ARG 1279N 0.89 1.10 -0.52 2.37 2.43 -0.90 0.19 114.38 119.93 3nrz h ARG 1279Ca 0.22 -0.07 -0.12 0.00 -0.81 0.00 0.00 59.98 59.20 3nrz h ARG 1279Cb 0.15 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 3nrz h ARG 1279CO -0.02 0.73 -0.13 0.00 -1.51 0.00 0.00 179.97 179.03 3nrz h ALA 1280N 1.47 0.77 -0.57 2.80 0.00 -1.07 -1.25 119.26 121.41 3nrz h ALA 1280Ca 0.36 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 3nrz h ALA 1280Cb 0.02 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3nrz h ALA 1280CO -0.11 0.67 0.07 0.00 0.00 0.00 0.00 179.25 179.88 3nrz h ALA 1281N 0.95 0.76 -0.25 0.00 0.00 -0.46 -2.57 119.26 117.69 3nrz h ALA 1281Ca 0.13 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 3nrz h ALA 1281Cb 0.70 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3nrz h ALA 1281CO 0.05 0.53 -0.32 0.00 0.00 0.00 0.00 179.25 179.51 3nrz h ARG 1282N 0.85 0.52 -0.62 0.00 3.08 -0.59 -1.79 114.38 115.84 3nrz h ARG 1282Ca 0.17 -0.23 0.07 0.00 0.07 0.00 0.00 59.98 60.06 3nrz h ARG 1282Cb 0.45 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.42 3nrz h ARG 1282CO 0.02 0.78 0.31 0.00 -1.07 0.00 0.00 179.97 180.01 3nrz h ALA 1283N 1.21 0.83 -0.26 0.04 0.00 -1.11 -0.45 119.26 119.52 3nrz h ALA 1283Ca 0.05 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3nrz h ALA 1283Cb 0.78 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3nrz h ALA 1283CO 0.06 -0.05 0.02 0.37 0.00 0.00 0.00 179.25 179.66 3nrz h GLN 1284N 0.57 0.44 0.00 0.00 5.75 -1.15 -3.39 115.11 117.34 3nrz h GLN 1284Ca 0.29 -0.13 0.00 0.00 -0.15 0.00 0.00 58.65 58.66 3nrz h GLN 1284Cb 0.24 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 28.74 3nrz h GLN 1284CO -0.21 0.58 -0.45 0.72 -2.65 0.00 0.00 178.83 176.82 3nrz n HIS 1285N -4.65 0.00 -2.90 3.99 8.25 -0.70 -5.06 115.22 114.15 3nrz n HIS 1285Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 3nrz n HIS 1285Cb 0.22 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.32 3nrz n HIS 1285CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3nrz n THR 1286N -1.23 0.00 -1.62 1.59 -2.24 -0.18 -4.69 114.28 105.90 3nrz n THR 1286Ca 0.01 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.36 3nrz n THR 1286Cb 0.14 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.36 3nrz n THR 1286CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3nrz n ASN 1287N 0.00 1.68 -1.70 3.42 6.94 -1.26 -4.85 115.26 119.49 3nrz n ASN 1287Ca 0.00 1.16 -0.15 0.00 -0.02 0.00 0.00 54.58 55.57 3nrz n ASN 1287Cb 0.00 -1.35 0.18 0.00 -2.36 0.00 0.00 39.78 36.24 3nrz n ASN 1287CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 3nrz n ASN 1288N 0.97 3.40 -4.66 0.53 3.02 -1.26 -4.58 115.26 112.67 3nrz n ASN 1288Ca 0.08 -3.72 -0.43 0.00 -0.03 0.00 0.00 54.58 50.48 3nrz n ASN 1288Cb 0.34 -0.73 -0.02 0.00 -0.61 0.00 0.00 39.78 38.76 3nrz n ASN 1288CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3nrz s ASN 1289N -2.05 6.82 0.38 6.41 0.01 -1.26 -4.86 114.94 120.39 3nrz s ASN 1289Ca 0.51 1.93 0.13 0.00 -0.71 0.00 0.00 52.86 54.72 3nrz s ASN 1289Cb 0.44 -2.54 0.77 0.00 0.41 0.00 0.00 41.25 40.34 3nrz s ASN 1289CO 0.04 -0.84 1.86 0.74 -1.51 0.00 0.00 177.10 177.39 3nrz h THR 1290N 5.53 1.24 -0.69 1.60 2.02 -1.97 -2.98 112.91 117.67 3nrz h THR 1290Ca -0.32 -1.13 -0.14 0.00 0.77 0.00 0.00 66.41 65.59 3nrz h THR 1290Cb 1.14 1.60 -0.08 0.00 -1.74 0.00 0.00 68.15 69.06 3nrz h THR 1290CO 0.96 0.33 0.18 0.29 0.37 0.00 0.00 175.52 177.65 3nrz n LYS 1291N -4.15 4.22 -2.32 6.66 5.02 -1.26 -4.94 118.16 121.39 3nrz n LYS 1291Ca -0.02 -3.13 -0.42 0.00 -2.02 0.00 0.00 58.31 52.72 3nrz n LYS 1291Cb 0.37 -2.25 -0.03 0.00 -0.02 0.00 0.00 35.03 33.10 3nrz n LYS 1291CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 3nrz s GLU 1292N -2.92 4.40 0.06 1.97 2.12 -1.13 -4.71 118.70 118.50 3nrz s GLU 1292Ca 0.55 1.90 0.04 0.00 0.36 0.00 0.00 54.97 57.82 3nrz s GLU 1292Cb 0.44 -3.29 -0.04 0.00 0.26 0.00 0.00 34.13 31.50 3nrz s GLU 1292CO 0.15 -0.29 0.00 -0.51 -0.54 0.00 0.00 175.26 174.06 3nrz s LEU 1293N 0.82 3.48 0.04 2.70 1.43 -1.26 -5.02 118.68 120.86 3nrz s LEU 1293Ca 0.60 -0.12 -0.06 0.00 -1.03 0.00 0.00 54.13 53.51 3nrz s LEU 1293Cb -0.33 -2.14 -0.01 0.00 0.03 0.00 0.00 46.19 43.74 3nrz s LEU 1293CO 0.31 0.21 0.11 0.72 0.23 0.00 0.00 176.35 177.93 3nrz s PHE 1294N -1.24 0.17 -0.18 0.29 -0.12 -1.26 -5.14 117.98 110.50 3nrz s PHE 1294Ca 0.24 -0.44 -0.22 0.00 -0.05 0.00 0.00 56.93 56.46 3nrz s PHE 1294Cb -0.12 -0.12 -0.02 0.00 -0.63 0.00 0.00 43.02 42.13 3nrz s PHE 1294CO 0.16 -0.37 0.68 0.50 -0.05 0.00 0.00 175.22 176.14 3nrz s ARG 1295N -2.50 4.25 -0.28 1.99 3.52 -1.26 -5.03 118.95 119.65 3nrz s ARG 1295Ca -0.06 0.73 0.00 0.00 -0.13 0.00 0.00 55.73 56.27 3nrz s ARG 1295Cb -0.02 -3.56 0.08 0.00 -1.56 0.00 0.00 34.95 29.89 3nrz s ARG 1295CO -0.04 -0.23 0.03 -1.17 -0.81 0.00 0.00 175.30 173.08 3nrz s LEU 1296N 1.86 2.68 0.85 -0.88 2.96 -1.26 -5.08 118.68 119.82 3nrz s LEU 1296Ca 0.32 -1.47 -0.12 0.00 -0.22 0.00 0.00 54.13 52.63 3nrz s LEU 1296Cb -0.16 -1.08 0.10 0.00 0.50 0.00 0.00 46.19 45.55 3nrz s LEU 1296CO 0.11 -0.33 1.12 -1.81 -1.32 0.00 0.00 176.35 174.12 3nrz s ASP 1297N 1.44 4.03 -0.06 3.68 1.01 -1.26 -4.94 116.67 120.58 3nrz s ASP 1297Ca 0.03 1.12 -0.03 0.00 0.71 0.00 0.00 52.55 54.38 3nrz s ASP 1297Cb -0.18 -1.77 -0.04 0.00 1.01 0.00 0.00 42.92 41.95 3nrz s ASP 1297CO -0.13 -2.24 0.09 -0.55 0.21 0.00 0.00 175.17 172.55 3nrz s SER 1298N -4.00 5.85 0.35 0.27 0.15 -0.62 -3.87 113.70 111.83 3nrz s SER 1298Ca 0.62 0.26 -0.25 0.00 0.70 0.00 0.00 55.95 57.28 3nrz s SER 1298Cb -0.14 -1.76 -0.10 0.00 -1.71 0.00 0.00 66.02 62.31 3nrz s SER 1298CO 0.54 0.34 0.95 -2.16 1.20 0.00 0.00 173.24 174.10 3nrz s PRO 1299N -1.35 4.49 -1.26 5.44 0.04 -1.26 -0.98 135.00 140.10 3nrz s PRO 1299Ca 0.19 1.30 -0.19 0.00 0.04 0.00 0.00 61.00 62.34 3nrz s PRO 1299Cb -0.12 -2.66 0.06 0.00 0.04 0.00 0.00 34.50 31.82 3nrz s PRO 1299CO 0.09 0.19 1.73 0.00 0.04 0.00 0.00 177.00 179.04 3nrz s ALA 1300N -1.73 3.16 0.75 8.56 0.00 0.24 -4.89 121.76 127.84 3nrz s ALA 1300Ca 0.53 -2.80 -0.11 0.00 0.00 0.00 0.00 51.96 49.58 3nrz s ALA 1300Cb -0.17 -4.64 0.05 0.00 0.00 0.00 0.00 23.12 18.36 3nrz s ALA 1300CO 0.22 -3.46 1.12 0.95 0.00 0.00 0.00 175.76 174.59 3nrz s THR 1301N 4.76 2.65 0.41 0.00 -4.23 -1.26 -4.62 115.64 113.35 3nrz s THR 1301Ca 0.54 0.15 0.13 0.00 -1.18 0.00 0.00 61.69 61.33 3nrz s THR 1301Cb 0.03 -3.20 0.33 0.00 1.34 0.00 0.00 72.50 71.01 3nrz s THR 1301CO 0.07 -0.25 1.93 -0.65 -0.54 0.00 0.00 174.62 175.17 3nrz h PRO 1302N -0.82 0.50 0.00 3.99 0.11 -1.85 -0.11 132.00 133.81 3nrz h PRO 1302Ca -0.45 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.64 3nrz h PRO 1302Cb 1.30 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 3nrz h PRO 1302CO 0.64 0.33 -0.06 1.49 -0.21 0.00 0.00 178.00 180.19 3nrz h GLU 1303N 0.51 -0.11 -0.49 1.05 4.81 -1.87 0.12 114.58 118.59 3nrz h GLU 1303Ca 0.35 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.56 3nrz h GLU 1303Cb 0.66 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.05 3nrz h GLU 1303CO -0.12 -0.07 0.19 0.87 -0.73 0.00 0.00 179.01 179.15 3nrz h LYS 1304N -0.12 0.74 -0.17 1.92 1.57 -1.66 -1.07 116.57 117.78 3nrz h LYS 1304Ca 0.02 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.65 3nrz h LYS 1304Cb 0.15 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 3nrz h LYS 1304CO -0.06 0.67 0.04 0.82 -0.57 0.00 0.00 179.45 180.34 3nrz h ILE 1305N 0.66 1.20 -0.22 1.86 2.04 -0.95 -1.79 117.51 120.32 3nrz h ILE 1305Ca 0.16 -0.65 -0.01 0.00 1.00 0.00 0.00 64.86 65.36 3nrz h ILE 1305Cb 0.20 1.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 3nrz h ILE 1305CO -0.01 0.20 0.10 -0.09 0.00 0.00 0.00 178.15 178.34 3nrz h ARG 1306N 0.08 0.32 -0.13 2.37 9.65 -0.67 -2.28 114.38 123.73 3nrz h ARG 1306Ca 0.05 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 58.87 3nrz h ARG 1306Cb 0.27 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.79 3nrz h ARG 1306CO 0.00 0.36 0.04 -0.91 2.80 0.00 0.00 179.97 182.26 3nrz h ASN 1307N 0.21 0.15 1.73 -3.80 2.35 -1.15 -1.98 115.58 113.09 3nrz h ASN 1307Ca 0.07 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.79 3nrz h ASN 1307Cb 0.15 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 38.47 3nrz h ASN 1307CO -0.01 0.15 -0.12 0.00 -1.65 0.00 0.00 177.43 175.81 3nrz h ALA 1308N 1.87 0.93 -0.41 -0.83 0.00 -1.04 -3.32 119.26 116.46 3nrz h ALA 1308Ca 0.05 -0.11 -0.72 0.00 0.00 0.00 0.00 54.91 54.13 3nrz h ALA 1308Cb 0.06 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.76 3nrz h ALA 1308CO -0.00 0.15 2.89 0.00 0.00 0.00 0.00 179.25 182.28 3nrz n VAL 1310N 3.03 0.10 -3.17 0.00 0.31 -1.25 -4.86 118.33 112.50 3nrz n VAL 1310Ca 0.62 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.93 3nrz n VAL 1310Cb 0.28 -1.58 0.00 0.00 -0.91 0.00 0.00 33.84 31.63 3nrz n VAL 1310CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3nrz n ASP 1311N 3.94 0.00 0.26 4.52 5.68 -1.26 -4.34 116.55 125.35 3nrz n ASP 1311Ca 0.18 -0.92 0.18 0.00 -0.50 0.00 0.00 54.79 53.73 3nrz n ASP 1311Cb 0.29 0.00 0.87 0.00 -1.14 0.00 0.00 41.12 41.14 3nrz n ASP 1311CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 3nrz h LYS 1312N 0.00 0.00 0.10 0.11 2.10 -1.92 -1.78 116.57 115.18 3nrz h LYS 1312Ca 0.00 0.00 -0.36 0.00 -2.00 0.00 0.00 60.65 58.29 3nrz h LYS 1312Cb 0.00 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.31 3nrz h LYS 1312CO 0.00 0.00 -2.00 1.19 -2.00 0.00 0.00 179.45 176.64 3nrz n PHE 1313N -2.83 1.15 -0.13 0.07 3.01 -1.26 -4.22 117.46 113.26 3nrz n PHE 1313Ca -0.01 0.26 -0.13 0.00 1.01 0.00 0.00 57.45 58.58 3nrz n PHE 1313Cb 0.15 -1.16 -0.02 0.00 -0.01 0.00 0.00 39.48 38.44 3nrz n PHE 1313CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 3nrz h THR 1314N 0.06 1.28 0.00 4.37 1.35 -1.85 -3.54 112.91 114.57 3nrz h THR 1314Ca -0.42 -1.48 0.00 0.00 -0.55 0.00 0.00 66.41 63.96 3nrz h THR 1314Cb 2.03 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 69.79 3nrz h THR 1314CO 0.08 0.50 0.00 0.35 -0.25 0.00 0.00 175.52 176.19