#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 -1.78 5.18 -2.24 -1.26 -4.93 114.28 109.24 3nrz n THR 572 Ca 0.00 -0.43 -0.42 0.00 -2.27 0.00 0.00 64.05 60.93 3nrz n THR 572 Cb 0.00 1.25 -0.03 0.00 -2.10 0.00 0.00 70.33 69.45 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 -1.49 2.64 0.00 2.28 1.01 -1.26 -0.57 120.40 123.00 3nrz s VAL 573 Ca 0.15 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.31 3nrz s VAL 573 Cb 0.12 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.39 3nrz s VAL 573 CO 0.27 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.98 3nrz n GLY 574 N 4.14 0.87 3.89 4.51 0.00 0.80 -5.01 105.19 114.38 3nrz n GLY 574 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.62 3.43 -1.28 1.61 0.52 0.26 -4.54 118.95 118.33 3nrz s ARG 575 Ca 0.00 -0.21 -0.10 0.00 -0.52 0.00 0.00 55.73 54.89 3nrz s ARG 575 Cb 0.00 -3.15 -0.06 0.00 0.52 0.00 0.00 34.95 32.26 3nrz s ARG 575 CO 0.00 0.74 2.46 -0.35 0.02 0.00 0.00 175.30 178.17 3nrz n PRO 576 N 1.57 2.81 -2.21 3.54 -0.04 -1.26 -4.32 135.00 135.08 3nrz n PRO 576 Ca -0.16 -1.97 -0.42 0.00 -0.04 0.00 0.00 63.50 60.91 3nrz n PRO 576 Cb 0.54 -2.77 -0.03 0.00 -0.04 0.00 0.00 33.50 31.20 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 0.55 4.39 0.57 1.53 2.96 -1.26 -4.81 118.68 122.61 3nrz s LEU 577 Ca 0.55 2.33 -0.21 0.00 -0.22 0.00 0.00 54.13 56.58 3nrz s LEU 577 Cb 0.14 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 43.20 3nrz s LEU 577 CO -0.04 -0.59 1.35 -2.84 -1.32 0.00 0.00 176.35 172.92 3nrz s PRO 578 N 0.64 2.97 0.07 0.98 0.02 -1.26 -4.72 135.00 133.70 3nrz s PRO 578 Ca 0.61 2.22 -0.37 0.00 0.02 0.00 0.00 61.00 63.48 3nrz s PRO 578 Cb -0.36 -2.15 -0.17 0.00 0.02 0.00 0.00 34.50 31.83 3nrz s PRO 578 CO 0.33 -1.32 1.26 1.58 -0.33 0.00 0.00 177.00 178.52 3nrz n HIS 579 N -1.26 1.26 0.14 6.54 -0.00 -1.26 -4.82 115.22 115.82 3nrz n HIS 579 Ca 0.12 0.75 0.14 0.00 -0.00 0.00 0.00 57.72 58.73 3nrz n HIS 579 Cb 0.46 -2.26 0.67 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 4.07 0.00 -2.06 0.27 3.38 -1.95 -0.80 115.31 118.21 3nrz h LEU 580 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 3nrz h LEU 580 Cb 1.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.11 3nrz h LEU 580 CO 0.74 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.27 3nrz n ALA 581 N -2.58 2.44 -0.24 1.53 0.00 -1.26 -4.61 120.51 115.79 3nrz n ALA 581 Ca 0.03 -0.90 -0.01 0.00 0.00 0.00 0.00 53.44 52.56 3nrz n ALA 581 Cb 0.34 -0.93 0.11 0.00 0.00 0.00 0.00 19.45 18.97 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 4.39 0.92 -0.51 0.00 0.00 -1.49 -0.11 119.26 122.47 3nrz h ALA 582 Ca 0.00 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3nrz h ALA 582 Cb 0.87 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 3nrz h ALA 582 CO 0.00 0.03 0.17 0.00 0.00 0.00 0.00 179.25 179.45 3nrz h ALA 583 N 1.37 0.66 -0.30 0.00 0.00 -1.81 -1.23 119.26 117.95 3nrz h ALA 583 Ca 0.31 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 3nrz h ALA 583 Cb 0.24 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3nrz h ALA 583 CO -0.21 0.31 -0.17 0.52 0.00 0.00 0.00 179.25 179.70 3nrz h MET 584 N 0.69 0.54 -0.48 0.00 2.86 -1.74 -2.19 114.93 114.61 3nrz h MET 584 Ca 0.17 -0.18 -0.11 0.00 -2.06 0.00 0.00 59.70 57.51 3nrz h MET 584 Cb 0.26 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 3nrz h MET 584 CO -0.01 0.69 -0.16 1.96 1.06 0.00 0.00 176.91 180.46 3nrz h GLN 585 N 0.49 0.92 0.00 1.72 4.20 -0.73 -0.19 115.11 121.51 3nrz h GLN 585 Ca 0.08 -0.35 -0.05 0.00 0.06 0.00 0.00 58.65 58.39 3nrz h GLN 585 Cb 0.58 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 3nrz h GLN 585 CO 0.04 1.01 -0.23 0.00 -0.67 0.00 0.00 178.83 178.98 3nrz h ALA 586 N 1.00 1.09 -0.02 3.87 0.00 -1.04 -2.90 119.26 121.26 3nrz h ALA 586 Ca 0.12 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3nrz h ALA 586 Cb 0.70 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3nrz h ALA 586 CO 0.05 0.29 -0.02 -1.13 0.00 0.00 0.00 179.25 178.44 3nrz n SER 587 N -3.49 2.11 -1.28 0.00 3.41 -0.84 -4.95 113.62 108.58 3nrz n SER 587 Ca -0.00 -1.69 -0.14 0.00 -0.26 0.00 0.00 58.87 56.77 3nrz n SER 587 Cb 0.40 0.01 -0.04 0.00 -0.26 0.00 0.00 64.21 64.31 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 1.26 0.94 0.04 5.00 0.00 -1.01 -4.90 105.19 106.51 3nrz n GLY 588 Ca 0.17 -0.32 0.10 0.00 0.00 0.00 0.00 46.02 45.96 3nrz n GLY 588 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3nrz n GLU 589 N -2.52 0.65 -1.88 1.61 1.02 -0.14 -4.91 120.64 114.47 3nrz n GLU 589 Ca -0.15 -0.12 -0.42 0.00 -0.02 0.00 0.00 57.16 56.45 3nrz n GLU 589 Cb 0.52 -1.58 -0.03 0.00 -0.02 0.00 0.00 31.44 30.33 3nrz n GLU 589 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3nrz s ALA 590 N -3.43 3.74 -0.20 0.62 0.00 -0.86 -4.97 121.76 116.66 3nrz s ALA 590 Ca -0.07 1.31 -0.18 0.00 0.00 0.00 0.00 51.96 53.02 3nrz s ALA 590 Cb 0.13 -3.69 -0.03 0.00 0.00 0.00 0.00 23.12 19.53 3nrz s ALA 590 CO 0.88 -1.03 0.52 0.08 0.00 0.00 0.00 175.76 176.21 3nrz s VAL 591 N 2.17 5.11 0.38 0.00 1.01 -1.26 -4.96 120.40 122.84 3nrz s VAL 591 Ca 0.74 0.95 0.07 0.00 0.00 0.00 0.00 61.98 63.75 3nrz s VAL 591 Cb -0.42 -3.84 -0.01 0.00 0.00 0.00 0.00 36.38 32.10 3nrz s VAL 591 CO 0.33 0.18 0.42 -0.31 0.00 0.00 0.00 175.10 175.71 3nrz s TYR 592 N 1.64 2.88 0.22 5.22 1.51 -1.26 -4.69 117.35 122.87 3nrz s TYR 592 Ca 0.24 -0.35 -0.16 0.00 -1.01 0.00 0.00 57.07 55.78 3nrz s TYR 592 Cb -0.15 -2.08 0.23 0.00 -0.11 0.00 0.00 41.96 39.85 3nrz s TYR 592 CO 0.10 -0.08 1.59 0.00 -1.11 0.00 0.00 175.55 176.04 3nrz n ASP 594 N -5.47 0.00 0.03 0.00 2.03 -1.26 -2.24 116.55 109.64 3nrz n ASP 594 Ca 0.08 0.48 0.13 0.00 0.52 0.00 0.00 54.79 56.00 3nrz n ASP 594 Cb 0.38 -0.49 0.50 0.00 -0.72 0.00 0.00 41.12 40.79 3nrz n ASP 594 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 3nrz n ASP 595 N -1.49 0.31 -4.73 1.67 8.00 0.99 -4.82 116.55 116.48 3nrz n ASP 595 Ca 0.05 0.44 -0.42 0.00 0.71 0.00 0.00 54.79 55.57 3nrz n ASP 595 Cb 0.24 -0.48 -0.03 0.00 -0.02 0.00 0.00 41.12 40.83 3nrz n ASP 595 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3nrz s ILE 596 N -3.04 2.48 0.61 0.53 1.01 -0.95 -4.92 121.20 116.92 3nrz s ILE 596 Ca 0.12 0.37 -0.19 0.00 0.00 0.00 0.00 60.65 60.95 3nrz s ILE 596 Cb 0.17 -3.24 -0.03 0.00 0.01 0.00 0.00 42.46 39.37 3nrz s ILE 596 CO 0.57 0.04 1.21 -2.65 0.00 0.00 0.00 174.94 174.11 3nrz n PRO 597 N 3.17 1.17 -3.14 2.79 -0.02 -1.26 -4.98 135.00 132.73 3nrz n PRO 597 Ca 0.11 0.45 -0.38 0.00 -2.02 0.00 0.00 63.50 61.66 3nrz n PRO 597 Cb 0.38 -2.43 -0.06 0.00 -0.02 0.00 0.00 33.50 31.38 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 -3.08 4.30 0.64 -0.52 3.00 -1.26 -5.06 118.95 116.97 3nrz s ARG 598 Ca 0.78 0.88 -0.17 0.00 0.00 0.00 0.00 55.73 57.22 3nrz s ARG 598 Cb -0.40 -3.08 -0.01 0.00 0.00 0.00 0.00 34.95 31.46 3nrz s ARG 598 CO 0.44 0.51 1.17 0.71 0.00 0.00 0.00 175.30 178.13 3nrz s TYR 599 N -1.31 2.41 0.52 -0.53 1.51 -1.26 -4.91 117.35 113.77 3nrz s TYR 599 Ca 0.37 1.55 0.21 0.00 -1.01 0.00 0.00 57.07 58.20 3nrz s TYR 599 Cb -0.19 -3.35 1.32 0.00 -0.11 0.00 0.00 41.96 39.63 3nrz s TYR 599 CO 0.22 -2.07 2.04 1.05 -1.11 0.00 0.00 175.55 175.68 3nrz h GLU 600 N 0.35 0.04 -0.56 -0.62 4.11 -2.01 -1.99 114.58 113.90 3nrz h GLU 600 Ca -0.48 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.94 3nrz h GLU 600 Cb 1.28 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.52 3nrz h GLU 600 CO 0.54 0.03 0.00 0.27 0.07 0.00 0.00 179.01 179.91 3nrz n ASN 601 N -4.43 4.83 -4.72 3.06 6.94 -1.26 -5.01 115.26 114.66 3nrz n ASN 601 Ca 0.06 -2.64 -0.41 0.00 -0.02 0.00 0.00 54.58 51.57 3nrz n ASN 601 Cb 0.43 -0.59 -0.04 0.00 -2.36 0.00 0.00 39.78 37.23 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 -2.19 4.55 0.46 -3.83 2.12 -0.75 -4.51 118.70 114.54 3nrz s GLU 602 Ca 0.49 1.66 0.08 0.00 0.36 0.00 0.00 54.97 57.56 3nrz s GLU 602 Cb 0.34 -3.34 0.01 0.00 0.26 0.00 0.00 34.13 31.41 3nrz s GLU 602 CO 0.20 -0.04 0.48 -0.51 -0.54 0.00 0.00 175.26 174.85 3nrz s LEU 603 N 0.34 3.32 0.02 2.70 1.43 -0.06 -4.90 118.68 121.53 3nrz s LEU 603 Ca 0.52 -0.76 0.05 0.00 -1.03 0.00 0.00 54.13 52.92 3nrz s LEU 603 Cb -0.27 -2.01 -0.02 0.00 0.03 0.00 0.00 46.19 43.91 3nrz s LEU 603 CO 0.31 -0.83 -0.15 -0.36 0.23 0.00 0.00 176.35 175.56 3nrz s PHE 604 N -2.51 1.29 -0.02 0.29 0.40 -0.06 -1.44 117.98 115.93 3nrz s PHE 604 Ca 0.50 -0.30 0.06 0.00 -0.60 0.00 0.00 56.93 56.58 3nrz s PHE 604 Cb -0.05 -0.80 -0.03 0.00 0.51 0.00 0.00 43.02 42.66 3nrz s PHE 604 CO 0.30 0.01 -0.19 -1.17 0.70 0.00 0.00 175.22 174.87 3nrz s LEU 605 N -0.76 2.50 -0.08 -0.37 0.20 -0.39 -0.87 118.68 118.91 3nrz s LEU 605 Ca 0.04 -0.34 0.01 0.00 0.69 0.00 0.00 54.13 54.53 3nrz s LEU 605 Cb -0.07 -1.48 0.02 0.00 -0.43 0.00 0.00 46.19 44.23 3nrz s LEU 605 CO 0.00 0.31 -0.10 -0.60 -0.29 0.00 0.00 176.35 175.68 3nrz s ARG 606 N -0.88 1.56 0.39 1.98 6.06 0.16 -4.63 118.95 123.58 3nrz s ARG 606 Ca 0.12 -0.32 -0.26 0.00 -2.50 0.00 0.00 55.73 52.76 3nrz s ARG 606 Cb -0.10 -1.43 -0.09 0.00 0.06 0.00 0.00 34.95 33.38 3nrz s ARG 606 CO 0.01 -0.10 1.27 -0.51 -2.50 0.00 0.00 175.30 173.47 3nrz s LEU 607 N 1.10 4.26 -0.18 -0.88 1.43 -1.26 -0.62 118.68 122.53 3nrz s LEU 607 Ca -0.06 2.58 -0.06 0.00 -1.03 0.00 0.00 54.13 55.56 3nrz s LEU 607 Cb -0.14 -3.87 -0.03 0.00 0.03 0.00 0.00 46.19 42.18 3nrz s LEU 607 CO -0.01 -0.73 0.02 -0.69 0.23 0.00 0.00 176.35 175.17 3nrz s VAL 608 N -1.27 4.33 0.04 -1.59 1.01 0.54 -4.86 120.40 118.61 3nrz s VAL 608 Ca 0.55 -0.19 0.04 0.00 0.00 0.00 0.00 61.98 62.38 3nrz s VAL 608 Cb -0.37 -2.95 -0.02 0.00 0.00 0.00 0.00 36.38 33.05 3nrz s VAL 608 CO 0.47 0.45 -0.13 -0.89 0.00 0.00 0.00 175.10 175.01 3nrz s THR 609 N 0.58 0.99 0.41 3.92 2.01 -1.26 -0.57 115.64 121.71 3nrz s THR 609 Ca 0.01 -1.02 -0.27 0.00 0.31 0.00 0.00 61.69 60.72 3nrz s THR 609 Cb -0.14 -0.93 -0.10 0.00 0.01 0.00 0.00 72.50 71.35 3nrz s THR 609 CO 0.02 -0.08 1.43 -0.55 -0.69 0.00 0.00 174.62 174.75 3nrz s SER 610 N -1.25 6.18 0.00 3.53 0.15 0.81 -4.88 113.70 118.24 3nrz s SER 610 Ca -0.01 2.94 0.15 0.00 0.70 0.00 0.00 55.95 59.74 3nrz s SER 610 Cb -0.08 -2.66 0.28 0.00 -1.71 0.00 0.00 66.02 61.85 3nrz s SER 610 CO 0.01 -0.97 1.18 0.35 1.20 0.00 0.00 173.24 175.02 3nrz n THR 611 N 0.20 0.51 -4.76 6.45 -2.24 -1.24 -3.57 114.28 109.62 3nrz n THR 611 Ca 0.03 -0.75 -0.30 0.00 -2.27 0.00 0.00 64.05 60.75 3nrz n THR 611 Cb 0.41 0.91 -0.14 0.00 -2.10 0.00 0.00 70.33 69.41 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 -1.16 1.86 0.20 -0.78 1.81 -1.26 -4.89 118.95 114.73 3nrz s ARG 612 Ca 0.26 -1.09 -0.07 0.00 -1.72 0.00 0.00 55.73 53.11 3nrz s ARG 612 Cb 0.15 -2.05 0.12 0.00 -0.45 0.00 0.00 34.95 32.73 3nrz s ARG 612 CO 0.21 0.52 1.66 0.00 -0.68 0.00 0.00 175.30 177.00 3nrz h ALA 613 N 4.60 0.88 -1.84 2.13 0.00 -1.82 -3.01 119.26 120.21 3nrz h ALA 613 Ca -0.47 -0.32 0.06 0.00 0.00 0.00 0.00 54.91 54.18 3nrz h ALA 613 Cb 1.15 -0.21 -0.21 0.00 0.00 0.00 0.00 17.79 18.52 3nrz h ALA 613 CO 0.45 0.65 -0.19 -1.58 0.00 0.00 0.00 179.25 178.57 3nrz s HIS 614 N -4.95 -1.33 -0.08 0.00 5.65 -1.26 -1.80 115.29 111.52 3nrz s HIS 614 Ca -0.11 2.08 -0.30 0.00 0.25 0.00 0.00 55.06 56.98 3nrz s HIS 614 Cb 0.14 0.68 0.11 0.00 -1.18 0.00 0.00 32.58 32.33 3nrz s HIS 614 CO 0.85 -0.70 0.89 0.00 -0.65 0.00 0.00 174.74 175.14 3nrz s ALA 615 N 2.85 -1.86 0.27 1.58 0.00 -0.87 -0.77 121.76 122.96 3nrz s ALA 615 Ca 0.01 1.31 -0.29 0.00 0.00 0.00 0.00 51.96 52.99 3nrz s ALA 615 Cb -0.13 -0.16 -0.09 0.00 0.00 0.00 0.00 23.12 22.74 3nrz s ALA 615 CO -0.19 -0.46 0.95 0.21 0.00 0.00 0.00 175.76 176.27 3nrz s LYS 616 N -1.88 4.76 -0.33 0.00 2.47 0.05 -0.44 119.74 124.37 3nrz s LYS 616 Ca -0.01 1.46 -0.23 0.00 -1.56 0.00 0.00 55.97 55.63 3nrz s LYS 616 Cb -0.01 -3.13 0.00 0.00 -1.46 0.00 0.00 37.83 33.24 3nrz s LYS 616 CO -0.01 0.43 0.78 0.42 0.16 0.00 0.00 175.35 177.13 3nrz s ILE 617 N -1.31 4.78 -0.09 5.43 1.01 0.90 -1.28 121.20 130.63 3nrz s ILE 617 Ca 0.44 1.07 0.01 0.00 0.00 0.00 0.00 60.65 62.17 3nrz s ILE 617 Cb -0.24 -4.16 -0.25 0.00 0.01 0.00 0.00 42.46 37.82 3nrz s ILE 617 CO 0.30 -0.31 0.47 1.17 0.00 0.00 0.00 174.94 176.57 3nrz n LYS 618 N 6.27 0.71 -3.54 2.79 4.81 0.69 -4.91 118.16 124.97 3nrz n LYS 618 Ca 0.03 0.27 -0.11 0.00 -0.87 0.00 0.00 58.31 57.63 3nrz n LYS 618 Cb 0.48 -1.74 -0.04 0.00 0.02 0.00 0.00 35.03 33.75 3nrz n LYS 618 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 3nrz s SER 619 N -6.63 -0.43 -0.18 3.14 1.04 -1.10 -4.96 113.70 104.58 3nrz s SER 619 Ca -0.15 0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.59 3nrz s SER 619 Cb 0.07 0.39 0.04 0.00 0.10 0.00 0.00 66.02 66.62 3nrz s SER 619 CO 0.79 -0.51 -0.08 -0.63 0.98 0.00 0.00 173.24 173.79 3nrz s ILE 620 N -1.90 1.36 -0.26 -1.02 1.01 -1.26 -1.09 121.20 118.04 3nrz s ILE 620 Ca -0.01 -0.78 -0.07 0.00 0.00 0.00 0.00 60.65 59.79 3nrz s ILE 620 Cb -0.01 -1.47 -0.01 0.00 0.01 0.00 0.00 42.46 40.98 3nrz s ILE 620 CO -0.01 0.17 0.06 -0.62 0.00 0.00 0.00 174.94 174.55 3nrz s ASP 621 N 1.53 5.04 0.00 3.58 2.15 0.89 -4.96 116.67 124.90 3nrz s ASP 621 Ca 0.00 -0.38 0.11 0.00 0.43 0.00 0.00 52.55 52.71 3nrz s ASP 621 Cb -0.15 -1.89 0.29 0.00 -0.30 0.00 0.00 42.92 40.87 3nrz s ASP 621 CO -0.08 -0.08 1.22 1.33 -0.17 0.00 0.00 175.17 177.38 3nrz n VAL 622 N 4.90 0.88 -0.17 1.11 0.24 -1.26 -1.37 118.33 122.65 3nrz n VAL 622 Ca -0.16 -0.94 -0.01 0.00 -2.04 0.00 0.00 64.34 61.19 3nrz n VAL 622 Cb 0.50 0.59 0.08 0.00 -1.47 0.00 0.00 33.84 33.54 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 2.16 -0.02 0.40 -1.34 0.02 -1.93 -1.62 113.55 111.23 3nrz h SER 623 Ca 0.00 0.10 -0.21 0.00 -0.84 0.00 0.00 61.79 60.84 3nrz h SER 623 Cb 0.71 0.14 -0.00 0.00 0.14 0.00 0.00 62.40 63.39 3nrz h SER 623 CO 0.00 0.01 -0.90 -0.33 -1.14 0.00 0.00 176.83 174.48 3nrz h GLU 624 N 0.23 0.35 -0.89 3.45 4.39 -1.85 -3.19 114.58 117.07 3nrz h GLU 624 Ca 0.27 -0.36 0.05 0.00 0.34 0.00 0.00 59.36 59.66 3nrz h GLU 624 Cb 0.38 0.10 -0.06 0.00 -0.10 0.00 0.00 28.75 29.07 3nrz h GLU 624 CO -0.36 1.04 0.58 0.00 -1.16 0.00 0.00 179.01 179.12 3nrz h ALA 625 N 0.83 1.49 0.00 3.43 0.00 -1.66 -2.02 119.26 121.34 3nrz h ALA 625 Ca -0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3nrz h ALA 625 Cb 1.52 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3nrz h ALA 625 CO 0.15 0.39 0.00 1.96 0.00 0.00 0.00 179.25 181.75 3nrz h GLN 626 N 1.05 0.00 -0.01 0.00 4.20 -1.29 -1.95 115.11 117.11 3nrz h GLN 626 Ca 0.37 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.08 3nrz h GLN 626 Cb 0.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.91 3nrz h GLN 626 CO -0.13 0.00 -0.17 1.63 -0.67 0.00 0.00 178.83 179.49 3nrz n LYS 627 N -2.74 0.93 -2.47 1.46 5.02 -0.76 -4.85 118.16 114.74 3nrz n LYS 627 Ca -0.01 -0.48 -0.42 0.00 -2.02 0.00 0.00 58.31 55.38 3nrz n LYS 627 Cb 0.15 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.64 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 -2.40 4.28 0.27 -0.18 1.01 -0.73 -4.98 120.40 117.66 3nrz s VAL 628 Ca 0.28 1.61 -0.29 0.00 0.00 0.00 0.00 61.98 63.58 3nrz s VAL 628 Cb 0.20 -4.03 -0.14 0.00 0.00 0.00 0.00 36.38 32.40 3nrz s VAL 628 CO 0.48 0.01 1.03 -2.65 0.00 0.00 0.00 175.10 173.97 3nrz n PRO 629 N 5.03 1.31 -0.95 2.72 -0.02 -1.26 -1.97 135.00 139.84 3nrz n PRO 629 Ca 0.10 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 3nrz n PRO 629 Cb 0.46 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 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 1.41 0.57 3.74 -1.23 0.00 -1.26 -4.86 105.19 103.55 3nrz n GLY 630 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3nrz n GLY 630 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3nrz s PHE 631 N -2.51 2.83 -0.07 1.61 5.36 -0.83 -1.00 117.98 123.36 3nrz s PHE 631 Ca 0.00 0.59 -0.10 0.00 -0.96 0.00 0.00 56.93 56.46 3nrz s PHE 631 Cb 0.00 -4.09 -0.03 0.00 -0.34 0.00 0.00 43.02 38.55 3nrz s PHE 631 CO 0.00 -3.90 -0.20 0.28 -1.46 0.00 0.00 175.22 169.94 3nrz n VAL 632 N 3.00 1.28 -3.57 3.12 0.31 0.19 -4.93 118.33 117.73 3nrz n VAL 632 Ca 0.12 0.25 -0.10 0.00 -0.01 0.00 0.00 64.34 64.60 3nrz n VAL 632 Cb 0.36 -2.00 -0.02 0.00 -0.91 0.00 0.00 33.84 31.28 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 -3.68 3.08 -0.12 0.00 5.36 -1.26 -0.95 117.98 120.41 3nrz s PHE 634 Ca 0.05 -0.15 -0.02 0.00 -0.96 0.00 0.00 56.93 55.84 3nrz s PHE 634 Cb -0.02 -1.95 -0.03 0.00 -0.34 0.00 0.00 43.02 40.68 3nrz s PHE 634 CO -0.06 0.08 -0.03 -0.51 -1.46 0.00 0.00 175.22 173.24 3nrz s LEU 635 N 0.15 3.36 0.00 6.12 1.43 0.75 -4.96 118.68 125.53 3nrz s LEU 635 Ca -0.00 -0.01 0.06 0.00 -1.03 0.00 0.00 54.13 53.15 3nrz s LEU 635 Cb -0.13 -1.78 -0.02 0.00 0.03 0.00 0.00 46.19 44.28 3nrz s LEU 635 CO 0.02 0.28 0.21 -1.20 0.23 0.00 0.00 176.35 175.89 3nrz n SER 636 N 2.82 0.10 -0.24 2.29 7.64 -1.26 -1.13 113.62 123.84 3nrz n SER 636 Ca -0.18 -3.05 0.15 0.00 1.01 0.00 0.00 58.87 56.81 3nrz n SER 636 Cb 0.53 1.32 0.45 0.00 -1.01 0.00 0.00 64.21 65.50 3nrz n SER 636 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3nrz h ALA 637 N 1.85 2.01 0.00 -0.43 0.00 -1.82 -1.57 119.26 119.30 3nrz h ALA 637 Ca -0.25 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 3nrz h ALA 637 Cb 1.13 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 3nrz h ALA 637 CO 0.38 -0.26 -0.00 -0.44 0.00 0.00 0.00 179.25 178.93 3nrz h ASP 638 N 0.54 0.00 1.04 0.00 3.32 -1.96 -2.73 116.42 116.63 3nrz h ASP 638 Ca 0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.49 3nrz h ASP 638 Cb 0.89 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.44 3nrz h ASP 638 CO -0.18 0.00 -0.25 0.47 -1.72 0.00 0.00 179.24 177.57 3nrz n ASP 639 N -3.18 0.53 -4.67 6.45 8.00 -0.59 -4.88 116.55 118.20 3nrz n ASP 639 Ca -0.03 0.30 -0.42 0.00 0.71 0.00 0.00 54.79 55.35 3nrz n ASP 639 Cb 0.10 -0.30 -0.03 0.00 -0.02 0.00 0.00 41.12 40.87 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 -3.08 3.90 -0.10 0.53 1.01 -1.03 -4.93 121.20 117.50 3nrz s ILE 640 Ca 0.10 1.17 0.17 0.00 0.00 0.00 0.00 60.65 62.09 3nrz s ILE 640 Cb 0.15 -3.75 0.11 0.00 0.01 0.00 0.00 42.46 38.98 3nrz s ILE 640 CO 0.63 -0.06 1.54 1.55 0.00 0.00 0.00 174.94 178.59 3nrz h PRO 641 N 8.41 0.00 0.00 2.79 0.13 -1.87 -3.44 132.00 138.02 3nrz h PRO 641 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 3nrz h PRO 641 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3nrz h PRO 641 CO 0.94 0.42 0.00 0.41 -0.23 0.00 0.00 178.00 179.54 3nrz n GLY 642 N 0.97 0.23 3.12 1.56 0.00 0.06 -4.82 105.19 106.30 3nrz n GLY 642 Ca 0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.14 1.65 0.00 1.61 0.15 -0.92 -4.90 113.70 111.14 3nrz s SER 643 Ca 0.00 -0.30 0.20 0.00 0.70 0.00 0.00 55.95 56.55 3nrz s SER 643 Cb 0.00 -0.16 0.54 0.00 -1.71 0.00 0.00 66.02 64.68 3nrz s SER 643 CO 0.00 0.14 1.45 -3.20 1.20 0.00 0.00 173.24 172.83 3nrz n ASN 644 N 2.54 3.21 -4.68 5.45 5.15 -1.26 -4.28 115.26 121.39 3nrz n ASN 644 Ca -0.15 -1.98 -0.36 0.00 -0.60 0.00 0.00 54.58 51.49 3nrz n ASN 644 Cb 0.55 -0.36 -0.09 0.00 -0.53 0.00 0.00 39.78 39.35 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 -1.28 4.09 0.18 1.20 2.12 -1.26 -2.31 118.70 121.44 3nrz s GLU 645 Ca 0.40 -0.26 -0.01 0.00 0.36 0.00 0.00 54.97 55.46 3nrz s GLU 645 Cb 0.21 -3.49 0.00 0.00 0.26 0.00 0.00 34.13 31.12 3nrz s GLU 645 CO 0.29 0.13 0.25 -2.37 -0.54 0.00 0.00 175.26 173.01 3nrz n THR 646 N 4.06 0.00 0.00 -1.70 5.66 -0.30 -4.89 114.28 117.12 3nrz n THR 646 Ca -0.15 -0.92 0.00 0.00 -3.05 0.00 0.00 64.05 59.92 3nrz n THR 646 Cb 0.52 0.57 0.00 0.00 -1.55 0.00 0.00 70.33 69.87 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 -0.30 0.18 0.36 1.09 0.00 -1.26 -1.81 105.19 103.46 3nrz n GLY 647 Ca 0.00 -1.73 0.07 0.00 0.00 0.00 0.00 46.02 44.36 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 0.78 -3.24 0.99 5.85 -1.97 -1.76 115.31 115.97 3nrz h LEU 648 Ca 0.00 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 3nrz h LEU 648 Cb 0.00 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 3nrz h LEU 648 CO 0.00 0.47 -0.01 0.49 -0.34 0.00 0.00 178.44 179.05 3nrz n PHE 649 N -4.52 0.84 -2.80 1.25 3.01 -1.26 -4.98 117.46 109.00 3nrz n PHE 649 Ca 0.14 -0.97 -0.20 0.00 1.01 0.00 0.00 57.45 57.43 3nrz n PHE 649 Cb 0.29 -0.31 0.01 0.00 -0.01 0.00 0.00 39.48 39.46 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 -0.70 -5.37 -0.46 4.37 3.02 -0.66 -4.85 115.26 110.60 3nrz n ASN 650 Ca 0.22 -0.15 0.06 0.00 -0.03 0.00 0.00 54.58 54.68 3nrz n ASN 650 Cb 0.88 -4.42 0.15 0.00 -0.61 0.00 0.00 39.78 35.77 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 -2.23 2.87 -4.46 6.41 5.75 -1.11 -4.65 116.55 119.14 3nrz n ASP 651 Ca -0.14 -2.49 -0.24 0.00 -0.01 0.00 0.00 54.79 51.91 3nrz n ASP 651 Cb 0.63 -0.30 -0.10 0.00 -1.03 0.00 0.00 41.12 40.31 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 -1.87 1.64 0.11 0.11 2.02 -0.75 -4.90 118.70 115.07 3nrz s GLU 652 Ca 0.25 -1.73 0.04 0.00 0.02 0.00 0.00 54.97 53.54 3nrz s GLU 652 Cb 0.18 -1.74 -0.04 0.00 0.10 0.00 0.00 34.13 32.64 3nrz s GLU 652 CO 0.08 0.33 0.11 0.95 0.02 0.00 0.00 175.26 176.75 3nrz s THR 653 N -2.45 4.58 0.03 3.63 -4.23 -1.26 -1.15 115.64 114.79 3nrz s THR 653 Ca 0.29 -0.85 -0.27 0.00 -1.18 0.00 0.00 61.69 59.68 3nrz s THR 653 Cb -0.05 -3.25 -0.17 0.00 1.34 0.00 0.00 72.50 70.37 3nrz s THR 653 CO 0.14 0.04 1.35 0.58 -0.54 0.00 0.00 174.62 176.20 3nrz h VAL 654 N 2.35 0.59 -3.69 2.29 2.07 -1.81 -3.44 116.25 114.61 3nrz h VAL 654 Ca -0.47 -0.39 -0.51 0.00 0.82 0.00 0.00 66.70 66.14 3nrz h VAL 654 Cb 1.18 0.77 -0.32 0.00 -1.52 0.00 0.00 31.29 31.40 3nrz h VAL 654 CO 0.66 0.07 -0.82 -0.36 0.02 0.00 0.00 177.57 177.14 3nrz s PHE 655 N -5.10 1.45 0.37 1.57 2.99 -1.26 -4.83 117.98 113.17 3nrz s PHE 655 Ca -0.15 -0.46 -0.28 0.00 0.00 0.00 0.00 56.93 56.05 3nrz s PHE 655 Cb 0.03 -1.02 -0.11 0.00 0.00 0.00 0.00 43.02 41.92 3nrz s PHE 655 CO 0.56 -0.20 1.47 0.00 -0.00 0.00 0.00 175.22 177.05 3nrz n ALA 656 N 3.44 2.26 -0.02 5.36 0.00 0.01 -4.63 120.51 126.92 3nrz n ALA 656 Ca -0.20 0.34 -0.02 0.00 0.00 0.00 0.00 53.44 53.56 3nrz n ALA 656 Cb 0.53 -2.40 -0.01 0.00 0.00 0.00 0.00 19.45 17.57 3nrz n ALA 656 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3nrz n LYS 657 N 0.45 0.13 -0.09 0.00 4.81 -1.26 -4.66 118.16 117.53 3nrz n LYS 657 Ca 0.02 0.05 -0.12 0.00 -0.87 0.00 0.00 58.31 57.39 3nrz n LYS 657 Cb 0.39 -0.65 -0.11 0.00 0.02 0.00 0.00 35.03 34.68 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 -3.03 1.82 -4.20 3.14 8.00 -1.26 -4.82 116.55 116.21 3nrz n ASP 658 Ca -0.03 -0.07 -0.21 0.00 0.71 0.00 0.00 54.79 55.19 3nrz n ASP 658 Cb 0.12 0.17 -0.13 0.00 -0.02 0.00 0.00 41.12 41.27 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 -2.41 1.30 -0.03 -3.53 -4.23 -1.26 -0.07 115.64 105.41 3nrz s THR 659 Ca -0.20 -1.26 -0.00 0.00 -1.18 0.00 0.00 61.69 59.05 3nrz s THR 659 Cb 0.06 -1.20 -0.04 0.00 1.34 0.00 0.00 72.50 72.67 3nrz s THR 659 CO 0.55 -0.08 0.03 0.68 -0.54 0.00 0.00 174.62 175.26 3nrz s VAL 660 N -1.08 4.39 0.00 2.29 -7.23 0.42 -4.85 120.40 114.34 3nrz s VAL 660 Ca 0.02 -0.42 0.00 0.00 -1.81 0.00 0.00 61.98 59.77 3nrz s VAL 660 Cb -0.09 -2.94 0.00 0.00 0.56 0.00 0.00 36.38 33.91 3nrz s VAL 660 CO 0.02 0.45 0.78 0.35 -0.31 0.00 0.00 175.10 176.40 3nrz n THR 661 N 1.59 0.61 -3.53 5.32 -2.24 -1.26 -2.05 114.28 112.71 3nrz n THR 661 Ca -0.16 -0.75 -0.09 0.00 -2.27 0.00 0.00 64.05 60.79 3nrz n THR 661 Cb 0.53 0.73 -0.02 0.00 -2.10 0.00 0.00 70.33 69.47 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 0.69 -0.42 0.00 2.07 -1.74 -2.45 116.25 116.40 3nrz h VAL 663 Ca -0.27 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.08 3nrz h VAL 663 Cb 1.27 0.74 -0.10 0.00 -1.52 0.00 0.00 31.29 31.68 3nrz h VAL 663 CO 0.32 0.00 0.05 0.61 0.02 0.00 0.00 177.57 178.57 3nrz n GLY 664 N -1.61 4.53 3.69 2.17 0.00 -1.23 -3.44 105.19 109.29 3nrz n GLY 664 Ca 0.08 -1.14 -0.42 0.00 0.00 0.00 0.00 46.02 44.54 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 -3.12 2.47 -0.06 1.61 5.04 -0.92 -4.54 115.29 115.77 3nrz s HIS 665 Ca 0.46 0.37 -0.30 0.00 -1.54 0.00 0.00 55.06 54.05 3nrz s HIS 665 Cb 0.40 -3.93 -0.04 0.00 0.04 0.00 0.00 32.58 29.05 3nrz s HIS 665 CO 0.05 -3.73 1.28 0.42 -2.34 0.00 0.00 174.74 170.42 3nrz s ILE 666 N 2.61 4.09 -0.17 0.89 1.01 -1.26 -0.13 121.20 128.23 3nrz s ILE 666 Ca 0.73 1.41 0.14 0.00 0.00 0.00 0.00 60.65 62.93 3nrz s ILE 666 Cb -0.39 -3.91 -0.20 0.00 0.01 0.00 0.00 42.46 37.97 3nrz s ILE 666 CO 0.32 -0.03 0.04 -0.38 0.00 0.00 0.00 174.94 174.89 3nrz n ILE 667 N 4.78 1.14 -3.79 2.92 5.41 0.26 -0.81 119.36 129.26 3nrz n ILE 667 Ca 0.12 -0.68 0.00 0.00 1.00 0.00 0.00 62.75 63.19 3nrz n ILE 667 Cb 0.45 -0.61 0.00 0.00 -0.71 0.00 0.00 39.64 38.77 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 2.02 0.72 3.22 7.39 0.00 -0.99 -4.23 105.19 113.32 3nrz n GLY 668 Ca -0.28 -0.84 -0.13 0.00 0.00 0.00 0.00 46.02 44.77 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 -1.00 -0.73 -0.11 4.61 0.00 -0.28 -0.34 121.76 123.90 3nrz s ALA 669 Ca 0.00 0.36 -0.07 0.00 0.00 0.00 0.00 51.96 52.25 3nrz s ALA 669 Cb -0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 23.07 3nrz s ALA 669 CO 0.00 -0.24 0.16 0.08 0.00 0.00 0.00 175.76 175.76 3nrz s VAL 670 N -1.10 5.48 -0.10 0.00 1.01 0.20 -0.18 120.40 125.71 3nrz s VAL 670 Ca -0.12 0.24 0.02 0.00 0.00 0.00 0.00 61.98 62.12 3nrz s VAL 670 Cb -0.05 -3.42 -0.01 0.00 0.00 0.00 0.00 36.38 32.90 3nrz s VAL 670 CO 0.03 0.61 -0.17 -0.69 0.00 0.00 0.00 175.10 174.89 3nrz s VAL 671 N -1.04 2.73 0.29 2.92 1.01 -0.13 -0.66 120.40 125.52 3nrz s VAL 671 Ca 0.16 -0.80 -0.02 0.00 0.00 0.00 0.00 61.98 61.32 3nrz s VAL 671 Cb -0.12 -2.10 -0.02 0.00 0.00 0.00 0.00 36.38 34.14 3nrz s VAL 671 CO 0.05 0.55 0.35 0.00 0.00 0.00 0.00 175.10 176.04 3nrz s ALA 672 N 0.07 0.91 -0.41 5.51 0.00 -0.05 -0.63 121.76 127.16 3nrz s ALA 672 Ca -0.07 -1.56 0.26 0.00 0.00 0.00 0.00 51.96 50.58 3nrz s ALA 672 Cb -0.15 1.27 0.71 0.00 0.00 0.00 0.00 23.12 24.94 3nrz s ALA 672 CO 0.05 -0.73 1.73 0.38 0.00 0.00 0.00 175.76 177.20 3nrz h ASP 673 N 2.27 0.00 -5.13 0.00 -0.00 -1.37 -0.12 116.42 112.07 3nrz h ASP 673 Ca -0.29 0.00 -0.14 0.00 -0.00 0.00 0.00 57.03 56.60 3nrz h ASP 673 Cb 1.24 0.00 -0.17 0.00 -0.00 0.00 0.00 39.33 40.40 3nrz h ASP 673 CO 0.41 0.00 -0.69 0.42 -0.00 0.00 0.00 179.24 179.39 3nrz s THR 674 N -3.28 0.18 0.37 1.15 -4.23 -1.26 -4.74 115.64 103.84 3nrz s THR 674 Ca 0.07 -1.46 0.09 0.00 -1.18 0.00 0.00 61.69 59.21 3nrz s THR 674 Cb 0.08 -1.03 0.14 0.00 1.34 0.00 0.00 72.50 73.03 3nrz s THR 674 CO 0.60 -0.80 1.88 1.55 -0.54 0.00 0.00 174.62 177.31 3nrz h PRO 675 N 3.74 0.21 -0.33 3.99 0.13 -1.91 -1.06 132.00 136.77 3nrz h PRO 675 Ca -0.33 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 64.74 3nrz h PRO 675 Cb 1.17 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 3nrz h PRO 675 CO 0.56 0.40 0.20 0.93 -0.23 0.00 0.00 178.00 179.86 3nrz h GLU 676 N 0.20 0.45 -0.65 0.86 3.07 -1.99 -1.05 114.58 115.46 3nrz h GLU 676 Ca 0.04 -0.04 -0.06 0.00 -0.50 0.00 0.00 59.36 58.80 3nrz h GLU 676 Cb 0.46 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 28.24 3nrz h GLU 676 CO 0.03 0.34 0.18 0.45 -1.40 0.00 0.00 179.01 178.61 3nrz h HIS 677 N 0.42 1.07 -0.35 4.33 3.86 -1.82 -1.09 115.15 121.57 3nrz h HIS 677 Ca 0.12 -0.12 0.02 0.00 -1.16 0.00 0.00 60.37 59.23 3nrz h HIS 677 Cb 0.01 -0.31 -0.03 0.00 1.06 0.00 0.00 27.41 28.15 3nrz h HIS 677 CO -0.04 0.88 0.19 0.00 0.86 0.00 0.00 177.93 179.82 3nrz h ALA 678 N 1.07 0.44 -0.16 2.45 0.00 -1.08 -0.67 119.26 121.30 3nrz h ALA 678 Ca 0.21 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.15 3nrz h ALA 678 Cb 0.33 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3nrz h ALA 678 CO -0.00 -0.17 -0.01 1.49 0.00 0.00 0.00 179.25 180.56 3nrz h GLU 679 N 0.39 0.04 -0.18 0.00 4.81 -0.93 -0.61 114.58 118.11 3nrz h GLU 679 Ca 0.14 -0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.39 3nrz h GLU 679 Cb 0.03 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 3nrz h GLU 679 CO -0.08 0.03 0.04 0.00 -0.73 0.00 0.00 179.01 178.26 3nrz h ARG 680 N 0.04 0.11 -0.54 1.92 3.08 -0.92 -2.29 114.38 115.79 3nrz h ARG 680 Ca 0.08 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 60.06 3nrz h ARG 680 Cb 0.10 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 3nrz h ARG 680 CO -0.14 0.07 0.12 0.00 -1.07 0.00 0.00 179.97 178.95 3nrz h ALA 681 N 1.12 0.71 -0.57 0.04 0.00 -0.92 -2.88 119.26 116.77 3nrz h ALA 681 Ca 0.08 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 3nrz h ALA 681 Cb 0.07 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3nrz h ALA 681 CO -0.10 0.43 0.24 0.00 0.00 0.00 0.00 179.25 179.81 3nrz h ALA 682 N 1.00 1.36 0.00 0.00 0.00 -0.96 -2.19 119.26 118.47 3nrz h ALA 682 Ca 0.17 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3nrz h ALA 682 Cb 0.36 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3nrz h ALA 682 CO 0.00 0.49 -0.13 1.25 0.00 0.00 0.00 179.25 180.86 3nrz h HIS 683 N 0.81 0.00 -0.02 0.00 6.17 -1.19 -2.85 115.15 118.06 3nrz h HIS 683 Ca 0.19 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.27 3nrz h HIS 683 Cb 0.14 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.07 3nrz h HIS 683 CO 0.01 0.13 -0.14 0.28 0.71 0.00 0.00 177.93 178.92 3nrz n VAL 684 N -4.26 0.00 -2.13 5.26 0.31 -0.84 -4.86 118.33 111.81 3nrz n VAL 684 Ca -0.03 -0.28 -0.42 0.00 -0.01 0.00 0.00 64.34 63.60 3nrz n VAL 684 Cb 0.20 0.83 -0.03 0.00 -0.91 0.00 0.00 33.84 33.94 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 -2.20 3.65 -0.21 2.52 1.01 -1.08 -4.32 120.40 119.78 3nrz s VAL 685 Ca 0.29 0.93 -0.09 0.00 0.00 0.00 0.00 61.98 63.11 3nrz s VAL 685 Cb 0.20 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 3nrz s VAL 685 CO 0.41 -0.04 0.11 -0.54 0.00 0.00 0.00 175.10 175.03 3nrz s LYS 686 N 3.18 4.04 -0.07 2.72 3.01 -0.47 -4.95 119.74 127.19 3nrz s LYS 686 Ca 0.67 -0.30 0.02 0.00 -1.01 0.00 0.00 55.97 55.36 3nrz s LYS 686 Cb -0.32 -3.36 -0.02 0.00 -1.01 0.00 0.00 37.83 33.11 3nrz s LYS 686 CO 0.27 0.20 -0.12 0.08 0.51 0.00 0.00 175.35 176.28 3nrz s VAL 687 N 0.62 3.21 -0.11 3.17 1.01 -1.26 -0.08 120.40 126.96 3nrz s VAL 687 Ca 0.06 -0.66 -0.00 0.00 0.00 0.00 0.00 61.98 61.38 3nrz s VAL 687 Cb -0.12 -2.29 -0.02 0.00 0.00 0.00 0.00 36.38 33.95 3nrz s VAL 687 CO 0.01 0.58 -0.09 -0.89 0.00 0.00 0.00 175.10 174.71 3nrz s THR 688 N -0.54 3.47 0.26 3.92 2.01 -0.25 -4.99 115.64 119.53 3nrz s THR 688 Ca 0.07 -0.54 0.08 0.00 0.31 0.00 0.00 61.69 61.62 3nrz s THR 688 Cb -0.12 -2.45 -0.05 0.00 0.01 0.00 0.00 72.50 69.89 3nrz s THR 688 CO 0.02 0.55 -0.11 -0.31 -0.69 0.00 0.00 174.62 174.07 3nrz s TYR 689 N -0.14 1.98 -0.19 4.92 1.51 -1.26 -0.23 117.35 123.94 3nrz s TYR 689 Ca 0.01 -0.58 -0.01 0.00 -1.01 0.00 0.00 57.07 55.49 3nrz s TYR 689 Cb -0.13 -1.02 0.05 0.00 -0.11 0.00 0.00 41.96 40.75 3nrz s TYR 689 CO 0.03 0.41 -0.04 -2.00 -1.11 0.00 0.00 175.55 172.84 3nrz s GLU 690 N -3.65 1.36 0.47 -0.62 2.12 -0.40 -4.84 118.70 113.13 3nrz s GLU 690 Ca 0.28 -0.61 -0.24 0.00 0.36 0.00 0.00 54.97 54.76 3nrz s GLU 690 Cb 0.01 -2.15 -0.07 0.00 0.26 0.00 0.00 34.13 32.17 3nrz s GLU 690 CO 0.11 -0.50 1.33 -0.51 -0.54 0.00 0.00 175.26 175.16 3nrz s ASP 691 N 1.61 5.85 0.22 -1.70 1.01 -1.26 -0.77 116.67 121.63 3nrz s ASP 691 Ca -0.01 2.71 0.11 0.00 0.71 0.00 0.00 52.55 56.07 3nrz s ASP 691 Cb -0.16 -2.64 -0.05 0.00 1.01 0.00 0.00 42.92 41.08 3nrz s ASP 691 CO -0.07 -1.17 -0.20 -0.76 0.21 0.00 0.00 175.17 173.17 3nrz s LEU 692 N -2.93 2.51 0.15 1.23 1.43 0.05 -4.85 118.68 116.27 3nrz s LEU 692 Ca 0.63 -0.95 -0.33 0.00 -1.03 0.00 0.00 54.13 52.46 3nrz s LEU 692 Cb -0.39 -1.02 -0.13 0.00 0.03 0.00 0.00 46.19 44.69 3nrz s LEU 692 CO 0.49 0.02 1.68 -2.65 0.23 0.00 0.00 176.35 176.12 3nrz n PRO 693 N -0.16 2.44 -4.23 1.29 -0.02 -1.26 -4.59 135.00 128.47 3nrz n PRO 693 Ca -0.09 0.88 -0.28 0.00 -2.02 0.00 0.00 63.50 61.99 3nrz n PRO 693 Cb 0.58 -2.70 -0.09 0.00 -0.02 0.00 0.00 33.50 31.27 3nrz n PRO 693 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3nrz s ALA 694 N 1.47 3.04 -0.18 3.55 0.00 -1.26 -4.93 121.76 123.44 3nrz s ALA 694 Ca 0.79 -1.33 0.01 0.00 0.00 0.00 0.00 51.96 51.43 3nrz s ALA 694 Cb -0.60 -0.89 0.02 0.00 0.00 0.00 0.00 23.12 21.65 3nrz s ALA 694 CO 0.37 0.56 -0.19 0.42 0.00 0.00 0.00 175.76 176.91 3nrz s ILE 695 N -1.49 2.05 -0.05 0.00 1.01 -1.26 -5.02 121.20 116.45 3nrz s ILE 695 Ca 0.24 -0.96 -0.00 0.00 0.00 0.00 0.00 60.65 59.93 3nrz s ILE 695 Cb -0.10 -1.86 -0.03 0.00 0.01 0.00 0.00 42.46 40.48 3nrz s ILE 695 CO 0.16 0.52 -0.05 -0.38 0.00 0.00 0.00 174.94 175.19 3nrz n ILE 696 N 4.62 0.26 -3.37 2.92 5.41 -1.26 0.11 119.36 128.05 3nrz n ILE 696 Ca -0.21 -0.09 -0.26 0.00 1.00 0.00 0.00 62.75 63.19 3nrz n ILE 696 Cb 0.50 -0.87 -0.02 0.00 -0.71 0.00 0.00 39.64 38.54 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 -2.09 5.09 0.21 1.39 -4.23 -1.26 -4.82 115.64 109.92 3nrz s THR 697 Ca -0.06 -0.28 -0.10 0.00 -1.18 0.00 0.00 61.69 60.07 3nrz s THR 697 Cb 0.02 -3.81 0.14 0.00 1.34 0.00 0.00 72.50 70.18 3nrz s THR 697 CO 0.10 -0.46 1.78 0.40 -0.54 0.00 0.00 174.62 175.89 3nrz h ILE 698 N 0.98 0.87 -0.43 2.99 2.04 -1.97 -1.22 117.51 120.78 3nrz h ILE 698 Ca -0.49 -0.18 0.04 0.00 1.00 0.00 0.00 64.86 65.23 3nrz h ILE 698 Cb 1.21 0.29 -0.04 0.00 -0.74 0.00 0.00 36.82 37.54 3nrz h ILE 698 CO 0.63 0.10 0.18 -0.33 0.00 0.00 0.00 178.15 178.74 3nrz h GLU 699 N 0.53 0.36 -0.45 2.37 3.07 -1.99 0.66 114.58 119.13 3nrz h GLU 699 Ca 0.30 -0.02 0.09 0.00 -0.50 0.00 0.00 59.36 59.22 3nrz h GLU 699 Cb 0.28 -0.08 -0.09 0.00 -0.84 0.00 0.00 28.75 28.02 3nrz h GLU 699 CO -0.24 0.24 -0.12 -0.44 -1.40 0.00 0.00 179.01 177.06 3nrz h ASP 700 N 0.37 -0.44 -0.38 1.42 3.32 -1.84 -1.30 116.42 117.58 3nrz h ASP 700 Ca 0.19 0.14 -0.04 0.00 0.02 0.00 0.00 57.03 57.34 3nrz h ASP 700 Cb 0.14 0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 3nrz h ASP 700 CO -0.16 -0.15 0.09 0.00 -1.72 0.00 0.00 179.24 177.30 3nrz h ALA 701 N 1.44 0.50 -0.13 3.45 0.00 -0.48 -1.16 119.26 122.87 3nrz h ALA 701 Ca 0.22 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.97 3nrz h ALA 701 Cb 0.34 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3nrz h ALA 701 CO -0.47 0.17 -0.01 0.82 0.00 0.00 0.00 179.25 179.76 3nrz h ILE 702 N 0.46 0.90 0.00 0.00 2.04 -0.70 0.14 117.51 120.36 3nrz h ILE 702 Ca 0.12 -0.01 -0.02 0.00 1.00 0.00 0.00 64.86 65.94 3nrz h ILE 702 Cb 0.30 0.86 -0.00 0.00 -0.74 0.00 0.00 36.82 37.24 3nrz h ILE 702 CO 0.00 0.01 -0.10 0.50 0.00 0.00 0.00 178.15 178.55 3nrz h LYS 703 N 0.04 0.00 -0.27 2.37 3.64 -1.09 -2.11 116.57 119.15 3nrz h LYS 703 Ca 0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3nrz h LYS 703 Cb 0.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 3nrz h LYS 703 CO -0.11 0.10 0.00 0.09 -2.27 0.00 0.00 179.45 177.27 3nrz n ASN 704 N -3.98 3.17 -3.75 4.20 3.02 -0.45 -4.98 115.26 112.49 3nrz n ASN 704 Ca -0.02 -1.94 -0.24 0.00 -0.03 0.00 0.00 54.58 52.36 3nrz n ASN 704 Cb 0.19 -0.17 0.03 0.00 -0.61 0.00 0.00 39.78 39.23 3nrz n ASN 704 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3nrz n ASN 705 N 1.31 -2.12 -4.17 6.41 5.15 0.24 -4.93 115.26 117.15 3nrz n ASN 705 Ca 0.16 -0.81 -0.40 0.00 -0.60 0.00 0.00 54.58 52.94 3nrz n ASN 705 Cb 0.56 -4.02 -0.07 0.00 -0.53 0.00 0.00 39.78 35.71 3nrz n ASN 705 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 3nrz s SER 706 N -4.09 5.71 0.08 1.20 0.15 0.13 -5.03 113.70 111.85 3nrz s SER 706 Ca 0.17 -2.69 0.04 0.00 0.70 0.00 0.00 55.95 54.18 3nrz s SER 706 Cb -0.09 -1.97 -0.03 0.00 -1.71 0.00 0.00 66.02 62.22 3nrz s SER 706 CO 0.82 -0.47 -0.11 -0.36 1.20 0.00 0.00 173.24 174.32 3nrz s PHE 707 N 0.19 1.09 -0.30 3.44 0.40 -1.26 -0.57 117.98 120.97 3nrz s PHE 707 Ca 0.16 -0.57 -0.18 0.00 -0.60 0.00 0.00 56.93 55.74 3nrz s PHE 707 Cb -0.18 -0.60 -0.02 0.00 0.51 0.00 0.00 43.02 42.73 3nrz s PHE 707 CO -0.05 0.02 0.52 0.71 0.70 0.00 0.00 175.22 177.13 3nrz s TYR 708 N -1.92 3.22 0.00 0.36 1.51 -0.02 -4.74 117.35 115.77 3nrz s TYR 708 Ca 0.02 0.45 0.00 0.00 -1.01 0.00 0.00 57.07 56.52 3nrz s TYR 708 Cb -0.06 -2.82 0.00 0.00 -0.11 0.00 0.00 41.96 38.97 3nrz s TYR 708 CO 0.01 -0.40 0.00 0.41 -1.11 0.00 0.00 175.55 174.46 3nrz n GLY 709 N 4.57 -0.86 1.32 0.71 0.00 -1.26 -4.38 105.19 105.28 3nrz n GLY 709 Ca -0.04 -1.12 -0.08 0.00 0.00 0.00 0.00 46.02 44.78 3nrz n GLY 709 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3nrz n SER 710 N -1.41 1.08 -4.74 1.61 3.41 -1.26 -4.92 113.62 107.39 3nrz n SER 710 Ca 0.00 -1.57 -0.41 0.00 -0.26 0.00 0.00 58.87 56.62 3nrz n SER 710 Cb 0.00 -0.09 -0.03 0.00 -0.26 0.00 0.00 64.21 63.83 3nrz n SER 710 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3nrz s GLU 711 N -2.85 4.43 0.04 4.33 2.12 -1.26 -4.79 118.70 120.72 3nrz s GLU 711 Ca 0.17 1.99 -0.14 0.00 0.36 0.00 0.00 54.97 57.34 3nrz s GLU 711 Cb -0.01 -3.21 -0.06 0.00 0.26 0.00 0.00 34.13 31.11 3nrz s GLU 711 CO 0.11 -0.19 0.44 -0.51 -0.54 0.00 0.00 175.26 174.57 3nrz s LEU 712 N -0.19 4.43 -0.10 2.70 1.43 -0.40 -4.94 118.68 121.61 3nrz s LEU 712 Ca 0.55 0.96 -0.12 0.00 -1.03 0.00 0.00 54.13 54.49 3nrz s LEU 712 Cb -0.35 -2.79 0.03 0.00 0.03 0.00 0.00 46.19 43.11 3nrz s LEU 712 CO 0.38 0.26 0.32 -0.75 0.23 0.00 0.00 176.35 176.79 3nrz s LYS 713 N -1.39 0.43 -0.07 1.70 2.20 -1.26 -0.47 119.74 120.88 3nrz s LYS 713 Ca 0.28 0.33 0.02 0.00 -0.36 0.00 0.00 55.97 56.25 3nrz s LYS 713 Cb -0.16 0.20 0.01 0.00 -1.51 0.00 0.00 37.83 36.38 3nrz s LYS 713 CO 0.16 -0.07 -0.13 0.42 -0.36 0.00 0.00 175.35 175.37 3nrz s ILE 714 N -0.10 1.19 -0.00 5.43 1.01 -0.54 -5.01 121.20 123.18 3nrz s ILE 714 Ca -0.03 -0.50 0.02 0.00 0.00 0.00 0.00 60.65 60.14 3nrz s ILE 714 Cb -0.03 -1.09 -0.01 0.00 0.01 0.00 0.00 42.46 41.34 3nrz s ILE 714 CO 0.01 0.37 -0.07 -0.70 0.00 0.00 0.00 174.94 174.56 3nrz s GLU 715 N 0.74 0.53 -0.06 2.79 2.12 -1.26 -1.30 118.70 122.26 3nrz s GLU 715 Ca -0.13 -0.27 -0.06 0.00 0.36 0.00 0.00 54.97 54.87 3nrz s GLU 715 Cb -0.16 -0.50 0.01 0.00 0.26 0.00 0.00 34.13 33.75 3nrz s GLU 715 CO 0.03 0.13 0.16 0.21 -0.54 0.00 0.00 175.26 175.25 3nrz s LYS 716 N -0.25 0.22 2.34 4.30 2.20 -0.22 -5.01 119.74 123.32 3nrz s LYS 716 Ca 0.02 0.18 0.00 0.00 -0.36 0.00 0.00 55.97 55.80 3nrz s LYS 716 Cb -0.03 0.10 0.00 0.00 -1.51 0.00 0.00 37.83 36.39 3nrz s LYS 716 CO -0.00 -0.03 0.00 0.41 -0.36 0.00 0.00 175.35 175.37 3nrz n GLY 717 N 2.86 -1.00 2.82 5.54 0.00 -1.25 -0.79 105.19 113.37 3nrz n GLY 717 Ca -0.13 -1.21 -0.29 0.00 0.00 0.00 0.00 46.02 44.39 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 3.46 0.06 1.61 -1.08 -1.26 -4.87 116.67 110.59 3nrz s ASP 718 Ca 0.00 -1.09 -0.22 0.00 -0.52 0.00 0.00 52.55 50.71 3nrz s ASP 718 Cb 0.00 -0.87 -0.14 0.00 -1.46 0.00 0.00 42.92 40.45 3nrz s ASP 718 CO 0.00 -0.30 1.54 -0.07 0.52 0.00 0.00 175.17 176.86 3nrz h LEU 719 N 8.10 0.15 -9.57 -1.34 3.38 -1.91 -2.45 115.31 111.67 3nrz h LEU 719 Ca -0.16 -0.24 -0.53 0.00 0.09 0.00 0.00 57.88 57.04 3nrz h LEU 719 Cb 1.09 -0.04 0.03 0.00 0.09 0.00 0.00 40.66 41.82 3nrz h LEU 719 CO 0.39 0.35 0.74 -0.75 0.09 0.00 0.00 178.44 179.26 3nrz s LYS 720 N -5.25 4.31 0.00 1.13 2.20 -1.26 -1.09 119.74 119.78 3nrz s LYS 720 Ca -0.14 2.12 0.00 0.00 -0.36 0.00 0.00 55.97 57.59 3nrz s LYS 720 Cb 0.05 -3.23 0.00 0.00 -1.51 0.00 0.00 37.83 33.15 3nrz s LYS 720 CO 0.69 -0.45 0.00 1.17 -0.36 0.00 0.00 175.35 176.41 3nrz n LYS 721 N 3.80 0.00 -0.02 4.03 4.81 -1.26 -4.75 118.16 124.77 3nrz n LYS 721 Ca 0.11 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.46 3nrz n LYS 721 Cb 0.42 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.44 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 0.06 1.81 3.14 0.00 -1.15 -0.08 103.07 106.85 3nrz h GLY 722 Ca 0.00 0.10 -0.09 0.00 0.00 0.00 0.00 47.33 47.34 3nrz h GLY 722 CO 0.00 -0.10 -0.33 0.74 0.00 0.00 0.00 176.54 176.85 3nrz h PHE 723 N -0.07 0.25 -0.94 5.60 -1.00 -1.38 -2.28 116.94 117.12 3nrz h PHE 723 Ca 0.09 -0.05 0.01 0.00 2.81 0.00 0.00 57.97 60.82 3nrz h PHE 723 Cb 0.20 -0.06 -0.05 0.00 3.61 0.00 0.00 35.95 39.65 3nrz h PHE 723 CO -0.22 0.53 0.61 0.77 -1.61 0.00 0.00 178.31 178.39 3nrz h SER 724 N 0.19 1.09 1.59 2.17 0.02 -1.74 -2.97 113.55 113.90 3nrz h SER 724 Ca 0.02 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3nrz h SER 724 Cb 0.68 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.95 3nrz h SER 724 CO 0.05 0.80 -0.09 -0.08 -1.14 0.00 0.00 176.83 176.36 3nrz h GLU 725 N 1.28 0.00 -6.84 3.45 4.57 -0.63 -3.46 114.58 112.93 3nrz h GLU 725 Ca 0.34 0.00 -0.52 0.00 -1.18 0.00 0.00 59.36 58.00 3nrz h GLU 725 Cb -0.13 0.00 0.05 0.00 -0.16 0.00 0.00 28.75 28.51 3nrz h GLU 725 CO -0.07 0.00 0.60 0.00 -1.18 0.00 0.00 179.01 178.36 3nrz s ALA 726 N -3.15 3.48 0.10 2.92 0.00 -0.89 -4.94 121.76 119.28 3nrz s ALA 726 Ca 0.09 1.16 -0.06 0.00 0.00 0.00 0.00 51.96 53.14 3nrz s ALA 726 Cb 0.10 -3.44 -0.18 0.00 0.00 0.00 0.00 23.12 19.60 3nrz s ALA 726 CO 0.64 -0.51 1.22 -0.44 0.00 0.00 0.00 175.76 176.68 3nrz h ASP 727 N 3.68 0.57 -4.42 0.00 3.32 -1.44 -3.47 116.42 114.66 3nrz h ASP 727 Ca -0.48 -0.51 -0.34 0.00 0.02 0.00 0.00 57.03 55.72 3nrz h ASP 727 Cb 1.22 -0.18 -0.19 0.00 0.22 0.00 0.00 39.33 40.40 3nrz h ASP 727 CO 0.67 1.33 -0.75 0.20 -1.72 0.00 0.00 179.24 178.98 3nrz s ASN 728 N -7.17 1.47 -0.01 6.45 0.01 -0.16 -4.98 114.94 110.55 3nrz s ASN 728 Ca -0.06 -0.74 0.02 0.00 -0.71 0.00 0.00 52.86 51.38 3nrz s ASN 728 Cb 0.08 -0.01 -0.00 0.00 0.41 0.00 0.00 41.25 41.73 3nrz s ASN 728 CO 0.88 -0.20 -0.08 -0.69 -1.51 0.00 0.00 177.10 175.50 3nrz s VAL 729 N -2.02 0.64 -0.06 1.60 1.01 -1.26 -1.50 120.40 118.81 3nrz s VAL 729 Ca 0.02 -0.31 0.03 0.00 0.00 0.00 0.00 61.98 61.71 3nrz s VAL 729 Cb -0.06 -0.56 0.01 0.00 0.00 0.00 0.00 36.38 35.78 3nrz s VAL 729 CO 0.01 0.19 -0.13 -0.69 0.00 0.00 0.00 175.10 174.49 3nrz s VAL 730 N 0.03 1.15 0.14 2.92 1.01 -0.52 -5.00 120.40 120.13 3nrz s VAL 730 Ca -0.00 -0.50 0.08 0.00 0.00 0.00 0.00 61.98 61.55 3nrz s VAL 730 Cb -0.06 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 3nrz s VAL 730 CO -0.00 0.35 -0.17 -0.94 0.00 0.00 0.00 175.10 174.34 3nrz s SER 731 N 0.55 2.46 0.07 3.32 1.04 -1.26 -0.95 113.70 118.91 3nrz s SER 731 Ca -0.12 -0.82 -0.14 0.00 0.48 0.00 0.00 55.95 55.34 3nrz s SER 731 Cb -0.15 -0.13 0.05 0.00 0.10 0.00 0.00 66.02 65.89 3nrz s SER 731 CO 0.03 -0.05 0.68 0.61 0.98 0.00 0.00 173.24 175.49 3nrz n GLY 732 N 0.49 0.70 3.03 7.32 0.00 -0.14 -5.00 105.19 111.59 3nrz n GLY 732 Ca -0.15 -1.02 -0.15 0.00 0.00 0.00 0.00 46.02 44.70 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 -2.02 0.52 -0.03 1.61 2.12 -1.26 -1.39 118.70 118.25 3nrz s GLU 733 Ca 0.15 -0.54 -0.06 0.00 0.36 0.00 0.00 54.97 54.88 3nrz s GLU 733 Cb -0.01 -0.39 0.01 0.00 0.26 0.00 0.00 34.13 33.99 3nrz s GLU 733 CO 0.02 0.09 0.14 -1.17 -0.54 0.00 0.00 175.26 173.80 3nrz s LEU 734 N -1.00 1.51 -0.02 2.70 2.96 -0.29 -4.96 118.68 119.58 3nrz s LEU 734 Ca -0.05 0.10 0.06 0.00 -0.22 0.00 0.00 54.13 54.02 3nrz s LEU 734 Cb -0.07 0.54 -0.01 0.00 0.50 0.00 0.00 46.19 47.15 3nrz s LEU 734 CO 0.00 -0.17 -0.19 -0.47 -1.32 0.00 0.00 176.35 174.21 3nrz s TYR 735 N -0.46 1.77 -0.15 5.38 5.04 -1.26 -0.57 117.35 127.10 3nrz s TYR 735 Ca -0.05 -0.39 0.00 0.00 -2.44 0.00 0.00 57.07 54.19 3nrz s TYR 735 Cb -0.04 -1.15 0.02 0.00 0.35 0.00 0.00 41.96 41.14 3nrz s TYR 735 CO 0.01 -0.07 -0.15 -1.50 -1.34 0.00 0.00 175.55 172.50 3nrz s ILE 736 N -0.33 1.60 0.86 3.14 2.07 -0.18 -1.71 121.20 126.66 3nrz s ILE 736 Ca 0.04 -0.65 -0.11 0.00 -1.41 0.00 0.00 60.65 58.52 3nrz s ILE 736 Cb -0.09 -1.49 0.11 0.00 0.13 0.00 0.00 42.46 41.12 3nrz s ILE 736 CO 0.00 0.46 1.09 -0.83 -1.91 0.00 0.00 174.94 173.76 3nrz s GLY 737 N 1.43 1.63 0.00 1.50 0.00 -0.22 -1.88 107.32 109.79 3nrz s GLY 737 Ca 0.04 0.03 0.00 0.00 0.00 0.00 0.00 44.72 44.79 3nrz s GLY 737 CO -0.10 0.48 0.00 0.61 0.00 0.00 0.00 173.10 174.09 3nrz n GLY 738 N -1.13 -1.16 3.63 0.20 0.00 -1.26 -4.62 105.19 100.85 3nrz n GLY 738 Ca 0.08 -1.57 -0.13 0.00 0.00 0.00 0.00 46.02 44.39 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 -0.24 0.80 -0.05 1.61 0.74 -1.25 -4.73 119.66 116.55 3nrz s GLN 739 Ca 0.00 0.96 -0.13 0.00 0.05 0.00 0.00 55.36 56.25 3nrz s GLN 739 Cb 0.00 0.39 -0.05 0.00 1.10 0.00 0.00 33.01 34.45 3nrz s GLN 739 CO 0.00 -0.10 0.33 0.34 -0.55 0.00 0.00 175.29 175.31 3nrz s ASP 740 N 0.39 6.67 0.24 6.67 -1.08 -1.26 -1.31 116.67 126.99 3nrz s ASP 740 Ca 0.00 0.80 -0.06 0.00 -0.52 0.00 0.00 52.55 52.77 3nrz s ASP 740 Cb -0.05 -2.20 0.30 0.00 -1.46 0.00 0.00 42.92 39.51 3nrz s ASP 740 CO -0.00 0.32 1.88 0.45 0.52 0.00 0.00 175.17 178.35 3nrz h HIS 741 N 4.97 1.10 -6.59 -5.34 3.86 -1.95 -3.46 115.15 107.73 3nrz h HIS 741 Ca -0.51 0.03 -0.53 0.00 -1.16 0.00 0.00 60.37 58.20 3nrz h HIS 741 Cb 1.22 -0.36 -0.15 0.00 1.06 0.00 0.00 27.41 29.18 3nrz h HIS 741 CO 0.71 0.62 -0.81 0.34 0.86 0.00 0.00 177.93 179.65 3nrz n PHE 742 N -4.52 -1.92 -1.71 2.45 7.35 -1.26 -4.92 117.46 112.94 3nrz n PHE 742 Ca 0.12 0.83 -0.43 0.00 -0.76 0.00 0.00 57.45 57.21 3nrz n PHE 742 Cb 0.11 -3.31 -0.01 0.00 0.35 0.00 0.00 39.48 36.61 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 -4.48 2.43 -0.04 -5.13 0.18 -1.26 -4.89 117.16 103.97 3nrz n TYR 743 Ca 0.05 0.44 -0.03 0.00 1.88 0.00 0.00 57.90 60.24 3nrz n TYR 743 Cb 0.51 -2.48 0.22 0.00 -0.38 0.00 0.00 39.34 37.21 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 3.63 0.59 -8.86 -3.48 -0.00 -1.86 -3.37 115.31 101.96 3nrz h LEU 744 Ca -0.46 -0.15 -0.63 0.00 -0.00 0.00 0.00 57.88 56.64 3nrz h LEU 744 Cb 1.26 -0.16 -0.13 0.00 -0.00 0.00 0.00 40.66 41.63 3nrz h LEU 744 CO 0.71 0.71 0.04 -0.70 -0.00 0.00 0.00 178.44 179.20 3nrz s GLU 745 N -4.83 3.84 1.01 1.13 2.12 -0.80 -5.07 118.70 116.10 3nrz s GLU 745 Ca -0.08 0.14 -0.15 0.00 0.36 0.00 0.00 54.97 55.24 3nrz s GLU 745 Cb 0.15 -3.74 0.20 0.00 0.26 0.00 0.00 34.13 30.99 3nrz s GLU 745 CO 0.79 -0.55 1.17 0.95 -0.54 0.00 0.00 175.26 177.08 3nrz s THR 746 N 2.47 1.89 0.37 -1.70 -4.23 -1.26 -4.75 115.64 108.42 3nrz s THR 746 Ca 0.22 0.00 -0.27 0.00 -1.18 0.00 0.00 61.69 60.46 3nrz s THR 746 Cb -0.15 -2.72 -0.11 0.00 1.34 0.00 0.00 72.50 70.85 3nrz s THR 746 CO 0.12 0.00 1.32 1.41 -0.54 0.00 0.00 174.62 176.92 3nrz n HIS 747 N -4.07 2.35 -3.67 3.99 -0.00 -1.26 -4.79 115.22 107.76 3nrz n HIS 747 Ca 0.10 0.52 -0.10 0.00 -0.00 0.00 0.00 57.72 58.25 3nrz n HIS 747 Cb 0.59 -2.42 -0.09 0.00 -0.00 0.00 0.00 29.99 28.07 3nrz n HIS 747 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3nrz s THR 749 N 1.23 -0.00 -0.12 0.00 2.01 -0.67 -1.72 115.64 116.37 3nrz s THR 749 Ca -0.08 0.01 0.01 0.00 0.31 0.00 0.00 61.69 61.95 3nrz s THR 749 Cb -0.06 -0.03 -0.01 0.00 0.01 0.00 0.00 72.50 72.41 3nrz s THR 749 CO -0.12 0.00 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.01 3nrz s ILE 750 N 0.06 2.66 -0.13 1.82 1.01 0.02 -1.46 121.20 125.17 3nrz s ILE 750 Ca -0.00 -0.80 0.03 0.00 0.00 0.00 0.00 60.65 59.87 3nrz s ILE 750 Cb -0.01 -2.08 0.01 0.00 0.01 0.00 0.00 42.46 40.39 3nrz s ILE 750 CO -0.00 0.54 -0.22 0.00 0.00 0.00 0.00 174.94 175.25 3nrz s ALA 751 N 0.37 2.23 -0.30 9.38 0.00 0.13 -0.72 121.76 132.83 3nrz s ALA 751 Ca -0.14 -1.07 -0.02 0.00 0.00 0.00 0.00 51.96 50.74 3nrz s ALA 751 Cb -0.17 -0.96 0.05 0.00 0.00 0.00 0.00 23.12 22.05 3nrz s ALA 751 CO 0.07 0.02 0.01 0.42 0.00 0.00 0.00 175.76 176.28 3nrz s ILE 752 N 0.74 2.96 0.05 0.00 1.01 0.13 -1.54 121.20 124.54 3nrz s ILE 752 Ca -0.09 -1.44 -0.30 0.00 0.00 0.00 0.00 60.65 58.83 3nrz s ILE 752 Cb -0.16 -2.73 -0.04 0.00 0.01 0.00 0.00 42.46 39.54 3nrz s ILE 752 CO -0.00 -0.14 0.95 -2.16 0.00 0.00 0.00 174.94 173.59 3nrz s PRO 753 N 1.24 4.61 0.23 2.79 0.04 -1.26 -0.93 135.00 141.71 3nrz s PRO 753 Ca -0.05 1.40 0.21 0.00 0.04 0.00 0.00 61.00 62.60 3nrz s PRO 753 Cb -0.20 -3.42 0.04 0.00 0.04 0.00 0.00 34.50 30.96 3nrz s PRO 753 CO -0.01 0.08 1.14 0.87 0.04 0.00 0.00 177.00 179.12 3nrz h LYS 754 N 6.23 0.00 0.00 4.56 1.79 -1.64 -3.46 116.57 124.05 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 1.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.86 3nrz h LYS 754 CO 0.73 0.10 0.00 0.41 -1.08 0.00 0.00 179.45 179.62 3nrz n GLY 755 N 1.21 0.84 3.23 3.86 0.00 -1.26 -5.02 105.19 108.05 3nrz n GLY 755 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.25 3.15 -1.99 1.61 2.02 -1.26 -4.87 118.70 117.12 3nrz s GLU 756 Ca 0.00 -0.78 0.00 0.00 0.02 0.00 0.00 54.97 54.21 3nrz s GLU 756 Cb 0.00 -2.57 0.00 0.00 0.10 0.00 0.00 34.13 31.66 3nrz s GLU 756 CO 0.00 -0.00 0.00 0.39 0.02 0.00 0.00 175.26 175.67 3nrz n GLU 757 N 4.09 -1.43 -0.97 1.61 -0.58 -1.26 -1.16 120.64 120.94 3nrz n GLU 757 Ca -0.19 1.16 0.00 0.00 -0.42 0.00 0.00 57.16 57.70 3nrz n GLU 757 Cb 0.52 -5.51 0.00 0.00 -0.57 0.00 0.00 31.44 25.87 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 -0.42 0.74 3.76 0.62 0.00 -1.26 -4.96 105.19 103.68 3nrz n GLY 758 Ca -0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.03 4.27 -0.03 1.61 2.02 -0.31 -4.82 118.70 121.40 3nrz s GLU 759 Ca 0.00 2.33 -0.04 0.00 0.02 0.00 0.00 54.97 57.28 3nrz s GLU 759 Cb 0.00 -3.06 0.01 0.00 0.10 0.00 0.00 34.13 31.18 3nrz s GLU 759 CO 0.00 -0.34 0.11 1.41 0.02 0.00 0.00 175.26 176.45 3nrz s MET 760 N -1.43 0.20 -0.10 1.61 1.75 -0.73 -1.52 119.30 119.08 3nrz s MET 760 Ca 0.53 0.02 0.02 0.00 -1.25 0.00 0.00 55.69 55.01 3nrz s MET 760 Cb -0.42 0.09 -0.01 0.00 2.84 0.00 0.00 34.83 37.32 3nrz s MET 760 CO 0.52 -0.03 -0.17 -2.00 -0.65 0.00 0.00 175.02 172.69 3nrz s GLU 761 N -0.27 3.03 -0.04 4.11 2.12 -0.11 -1.55 118.70 126.00 3nrz s GLU 761 Ca -0.03 -0.75 0.04 0.00 0.36 0.00 0.00 54.97 54.59 3nrz s GLU 761 Cb -0.02 -2.46 -0.00 0.00 0.26 0.00 0.00 34.13 31.90 3nrz s GLU 761 CO 0.00 0.32 -0.16 -0.51 -0.54 0.00 0.00 175.26 174.37 3nrz s LEU 762 N 0.05 1.91 -0.23 2.70 1.02 0.30 0.17 118.68 124.59 3nrz s LEU 762 Ca -0.07 -0.33 -0.06 0.00 0.02 0.00 0.00 54.13 53.69 3nrz s LEU 762 Cb -0.15 -0.92 -0.02 0.00 0.02 0.00 0.00 46.19 45.12 3nrz s LEU 762 CO 0.05 0.15 0.04 -0.36 0.02 0.00 0.00 176.35 176.24 3nrz s PHE 763 N 0.04 3.06 -0.02 0.29 0.40 0.10 -0.93 117.98 120.91 3nrz s PHE 763 Ca -0.03 -0.52 0.01 0.00 -0.60 0.00 0.00 56.93 55.79 3nrz s PHE 763 Cb -0.11 -2.18 0.01 0.00 0.51 0.00 0.00 43.02 41.25 3nrz s PHE 763 CO 0.02 -0.36 -0.04 0.14 0.70 0.00 0.00 175.22 175.68 3nrz s VAL 764 N 1.44 0.37 -1.16 -0.44 -7.23 -0.95 -0.80 120.40 111.63 3nrz s VAL 764 Ca 0.05 -0.12 -0.18 0.00 -1.81 0.00 0.00 61.98 59.92 3nrz s VAL 764 Cb -0.15 -0.37 0.11 0.00 0.56 0.00 0.00 36.38 36.53 3nrz s VAL 764 CO 0.02 0.14 1.49 -0.55 -0.31 0.00 0.00 175.10 175.90 3nrz s SER 765 N 0.37 6.83 0.01 4.85 0.15 -0.70 -4.54 113.70 120.66 3nrz s SER 765 Ca -0.04 -2.40 -0.01 0.00 0.70 0.00 0.00 55.95 54.21 3nrz s SER 765 Cb -0.07 -2.49 -0.01 0.00 -1.71 0.00 0.00 66.02 61.73 3nrz s SER 765 CO -0.00 -1.07 0.00 0.28 1.20 0.00 0.00 173.24 173.65 3nrz s THR 766 N 3.25 0.07 -2.00 6.45 -1.32 -1.26 -4.62 115.64 116.20 3nrz s THR 766 Ca 0.46 -0.54 0.29 0.00 -1.21 0.00 0.00 61.69 60.68 3nrz s THR 766 Cb -0.00 -0.19 0.52 0.00 -1.51 0.00 0.00 72.50 71.32 3nrz s THR 766 CO -0.00 -0.30 1.82 0.00 -2.21 0.00 0.00 174.62 173.93 3nrz n GLN 767 N 2.15 1.09 -3.30 7.08 6.02 -0.16 -4.65 117.38 125.61 3nrz n GLN 767 Ca -0.19 -0.49 -0.25 0.00 -0.01 0.00 0.00 57.00 56.05 3nrz n GLN 767 Cb 0.57 -1.49 -0.08 0.00 1.02 0.00 0.00 30.24 30.26 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 -0.53 0.09 -0.20 1.08 2.85 -1.24 -0.96 115.26 116.35 3nrz n ASN 768 Ca 0.17 -2.60 -0.04 0.00 -0.11 0.00 0.00 54.58 52.00 3nrz n ASN 768 Cb 0.29 -0.61 0.14 0.00 1.24 0.00 0.00 39.78 40.84 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 4.72 1.15 -0.33 5.20 0.00 -1.90 -2.17 119.26 125.92 3nrz h ALA 769 Ca 0.16 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.92 3nrz h ALA 769 Cb 0.88 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 3nrz h ALA 769 CO 0.44 0.59 0.03 1.98 0.00 0.00 0.00 179.25 182.30 3nrz h MET 770 N 0.96 0.13 -0.07 0.00 1.85 -1.93 0.15 114.93 116.01 3nrz h MET 770 Ca 0.21 -0.01 -0.17 0.00 -0.61 0.00 0.00 59.70 59.12 3nrz h MET 770 Cb 0.26 -0.03 -0.01 0.00 0.43 0.00 0.00 31.60 32.25 3nrz h MET 770 CO -0.01 0.09 -0.71 0.87 -0.40 0.00 0.00 176.91 176.75 3nrz h LYS 771 N 0.13 0.34 -0.06 0.39 1.79 -1.86 -1.01 116.57 116.29 3nrz h LYS 771 Ca 0.16 -0.28 0.02 0.00 -2.18 0.00 0.00 60.65 58.37 3nrz h LYS 771 Cb 0.20 0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.89 3nrz h LYS 771 CO -0.24 0.91 -0.03 1.15 -1.08 0.00 0.00 179.45 180.16 3nrz h THR 772 N 0.24 0.89 0.07 -0.16 2.02 -0.92 0.14 112.91 115.19 3nrz h THR 772 Ca -0.02 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.17 3nrz h THR 772 Cb 1.27 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 68.55 3nrz h THR 772 CO 0.12 0.00 -0.11 -0.61 0.37 0.00 0.00 175.52 175.28 3nrz h GLN 773 N -0.03 -0.22 -0.43 6.66 4.15 -0.58 -1.24 115.11 123.42 3nrz h GLN 773 Ca 0.04 0.02 0.06 0.00 0.77 0.00 0.00 58.65 59.53 3nrz h GLN 773 Cb 0.09 0.05 -0.05 0.00 0.21 0.00 0.00 27.48 27.78 3nrz h GLN 773 CO -0.09 -0.15 0.13 0.77 -1.93 0.00 0.00 178.83 177.57 3nrz h SER 774 N -0.23 0.12 -0.09 -0.69 0.02 -0.96 -1.76 113.55 109.96 3nrz h SER 774 Ca 0.02 0.06 -0.18 0.00 -0.84 0.00 0.00 61.79 60.84 3nrz h SER 774 Cb 0.25 0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.84 3nrz h SER 774 CO -0.07 0.10 -0.61 -0.26 -1.14 0.00 0.00 176.83 174.85 3nrz h PHE 775 N 0.29 0.89 -0.38 3.45 -1.00 -0.56 -0.97 116.94 118.65 3nrz h PHE 775 Ca 0.20 -0.34 -0.03 0.00 2.81 0.00 0.00 57.97 60.62 3nrz h PHE 775 Cb 0.21 -0.16 -0.02 0.00 3.61 0.00 0.00 35.95 39.59 3nrz h PHE 775 CO -0.17 1.13 0.14 0.28 -1.61 0.00 0.00 178.31 178.08 3nrz h VAL 776 N 0.52 1.20 -0.60 -0.55 2.07 -1.16 -1.80 116.25 115.93 3nrz h VAL 776 Ca -0.00 -0.64 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 3nrz h VAL 776 Cb 1.20 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 31.85 3nrz h VAL 776 CO 0.12 0.23 0.33 0.00 0.02 0.00 0.00 177.57 178.27 3nrz h ALA 777 N 0.98 0.77 -0.50 1.67 0.00 -1.17 -1.43 119.26 119.59 3nrz h ALA 777 Ca 0.12 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3nrz h ALA 777 Cb 0.22 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3nrz h ALA 777 CO -0.01 0.29 0.25 -0.22 0.00 0.00 0.00 179.25 179.56 3nrz h LYS 778 N 0.81 0.71 -0.59 0.00 3.64 -1.05 0.10 116.57 120.18 3nrz h LYS 778 Ca 0.21 -0.10 -0.08 0.00 -1.27 0.00 0.00 60.65 59.41 3nrz h LYS 778 Cb 0.05 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 3nrz h LYS 778 CO -0.03 0.58 0.06 0.00 -2.27 0.00 0.00 179.45 177.78 3nrz h MET 779 N 0.66 1.01 0.00 1.90 -0.00 -1.08 -2.86 114.93 114.56 3nrz h MET 779 Ca 0.17 -0.29 0.00 0.00 -0.00 0.00 0.00 59.70 59.58 3nrz h MET 779 Cb 0.10 -0.11 0.00 0.00 -0.00 0.00 0.00 31.60 31.59 3nrz h MET 779 CO -0.02 0.97 0.00 -0.07 -0.00 0.00 0.00 176.91 177.78 3nrz h LEU 780 N 0.90 0.00 -0.92 -0.10 3.38 -1.08 0.32 115.31 117.82 3nrz h LEU 780 Ca 0.17 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.86 3nrz h LEU 780 Cb 0.48 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.33 3nrz h LEU 780 CO 0.02 0.00 -0.50 0.61 0.09 0.00 0.00 178.44 178.66 3nrz n GLY 781 N 0.78 -0.14 3.42 0.83 0.00 0.29 -4.08 105.19 106.29 3nrz n GLY 781 Ca 0.03 -0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 3nrz n GLY 781 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3nrz s VAL 782 N -3.23 2.27 0.66 1.61 1.01 -0.80 -4.98 120.40 116.93 3nrz s VAL 782 Ca 0.42 -2.12 -0.17 0.00 0.00 0.00 0.00 61.98 60.11 3nrz s VAL 782 Cb -0.18 -2.12 -0.00 0.00 0.00 0.00 0.00 36.38 34.08 3nrz s VAL 782 CO 0.53 -0.24 1.22 -2.84 0.00 0.00 0.00 175.10 173.77 3nrz s PRO 783 N -2.95 2.57 0.55 2.72 0.02 -1.26 -4.52 135.00 132.14 3nrz s PRO 783 Ca 0.22 1.82 0.22 0.00 0.02 0.00 0.00 61.00 63.29 3nrz s PRO 783 Cb -0.06 -1.88 1.52 0.00 0.02 0.00 0.00 34.50 34.10 3nrz s PRO 783 CO 0.10 -1.52 2.20 0.28 -0.33 0.00 0.00 177.00 177.74 3nrz h VAL 784 N 0.34 0.78 0.00 3.83 2.07 -1.92 -2.04 116.25 119.30 3nrz h VAL 784 Ca -0.49 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.02 3nrz h VAL 784 Cb 1.30 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 32.08 3nrz h VAL 784 CO 0.53 0.00 0.00 -0.46 0.02 0.00 0.00 177.57 177.66 3nrz n ASN 785 N -4.22 0.17 0.05 0.57 0.23 -1.26 -1.87 115.26 108.94 3nrz n ASN 785 Ca -0.03 0.56 0.13 0.00 -0.53 0.00 0.00 54.58 54.70 3nrz n ASN 785 Cb 0.09 -0.59 0.36 0.00 -2.08 0.00 0.00 39.78 37.56 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 -1.71 0.17 -4.07 -3.83 5.12 -0.77 -4.85 116.66 106.73 3nrz n ARG 786 Ca 0.02 0.10 -0.34 0.00 -1.93 0.00 0.00 57.85 55.69 3nrz n ARG 786 Cb 0.11 -1.66 -0.14 0.00 -1.16 0.00 0.00 32.46 29.62 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 -3.08 3.22 -0.17 0.55 -1.09 -0.78 -1.78 121.20 118.06 3nrz s ILE 787 Ca 0.10 -0.55 -0.02 0.00 -2.23 0.00 0.00 60.65 57.95 3nrz s ILE 787 Cb 0.15 -2.44 -0.01 0.00 -1.58 0.00 0.00 42.46 38.58 3nrz s ILE 787 CO 0.63 0.45 -0.09 -0.22 -1.23 0.00 0.00 174.94 174.49 3nrz s LEU 788 N 1.26 2.82 -0.10 2.97 2.96 -0.59 -4.94 118.68 123.05 3nrz s LEU 788 Ca 0.03 -0.34 0.03 0.00 -0.22 0.00 0.00 54.13 53.63 3nrz s LEU 788 Cb -0.14 -1.68 -0.00 0.00 0.50 0.00 0.00 46.19 44.87 3nrz s LEU 788 CO -0.03 0.08 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.19 3nrz s VAL 789 N 0.84 2.33 -0.04 1.68 1.01 -1.26 -0.54 120.40 124.42 3nrz s VAL 789 Ca -0.03 -0.93 0.04 0.00 0.00 0.00 0.00 61.98 61.07 3nrz s VAL 789 Cb -0.15 -1.91 0.00 0.00 0.00 0.00 0.00 36.38 34.32 3nrz s VAL 789 CO 0.01 0.55 -0.15 -0.13 0.00 0.00 0.00 175.10 175.38 3nrz s ARG 790 N 0.29 1.61 -0.19 2.72 0.52 -0.11 -1.95 118.95 121.84 3nrz s ARG 790 Ca -0.15 -0.52 -0.02 0.00 -0.52 0.00 0.00 55.73 54.51 3nrz s ARG 790 Cb -0.17 -1.40 0.06 0.00 0.52 0.00 0.00 34.95 33.95 3nrz s ARG 790 CO 0.08 0.19 0.01 0.08 0.02 0.00 0.00 175.30 175.68 3nrz s VAL 791 N 0.14 0.69 -0.12 3.52 1.01 0.71 -2.23 120.40 124.12 3nrz s VAL 791 Ca -0.05 -0.61 -0.14 0.00 0.00 0.00 0.00 61.98 61.19 3nrz s VAL 791 Cb -0.11 -1.12 -0.12 0.00 0.00 0.00 0.00 36.38 35.02 3nrz s VAL 791 CO 0.02 -0.14 0.34 0.50 0.00 0.00 0.00 175.10 175.82 3nrz h LYS 792 N 8.20 0.00 -2.63 2.72 1.63 -1.84 0.23 116.57 124.88 3nrz h LYS 792 Ca -0.17 0.00 0.06 0.00 -0.85 0.00 0.00 60.65 59.68 3nrz h LYS 792 Cb 1.11 0.00 -0.13 0.00 -0.60 0.00 0.00 32.23 32.61 3nrz h LYS 792 CO 0.35 0.47 0.36 -0.98 -3.45 0.00 0.00 179.45 176.19 3nrz s ARG 793 N -1.89 1.08 0.03 1.90 1.70 -1.26 -4.53 118.95 115.98 3nrz s ARG 793 Ca -0.10 -0.42 0.08 0.00 -0.47 0.00 0.00 55.73 54.82 3nrz s ARG 793 Cb -0.01 0.48 -0.03 0.00 -0.57 0.00 0.00 34.95 34.82 3nrz s ARG 793 CO 0.33 -0.48 -0.22 -1.64 -1.08 0.00 0.00 175.30 172.21 3nrz s MET 794 N -3.44 1.98 -1.35 3.89 -1.94 -0.20 -4.62 119.30 113.62 3nrz s MET 794 Ca 0.04 -1.02 -0.08 0.00 -1.71 0.00 0.00 55.69 52.91 3nrz s MET 794 Cb -0.01 -2.10 -0.06 0.00 2.01 0.00 0.00 34.83 34.67 3nrz s MET 794 CO -0.09 0.53 2.90 0.41 -0.01 0.00 0.00 175.02 178.76 3nrz n GLY 795 N 1.73 4.34 0.00 -0.03 0.00 -1.26 -4.25 105.19 105.72 3nrz n GLY 795 Ca -0.17 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.25 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 2.95 1.12 1.80 -0.02 0.00 -1.18 -1.90 105.19 107.96 3nrz n GLY 796 Ca 0.71 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 1.35 -0.24 2.47 -0.02 0.00 -1.26 -4.82 105.19 102.67 3nrz n GLY 797 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.41 -0.22 0.00 1.61 3.01 -1.26 -1.12 117.46 116.07 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 0.01 -3.37 0.00 0.00 -0.01 0.00 0.00 39.48 36.11 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 -0.45 3.34 0.02 1.37 0.00 -1.26 -0.52 105.19 107.69 3nrz n GLY 799 Ca -0.20 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.43 -1.05 0.37 -0.02 0.00 -0.27 -2.18 105.19 100.60 3nrz n GLY 800 Ca 0.00 -0.03 0.05 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.62 2.59 0.09 1.61 5.02 -1.25 -4.19 118.16 120.40 3nrz n LYS 801 Ca 0.03 -2.15 -0.15 0.00 -2.02 0.00 0.00 58.31 54.03 3nrz n LYS 801 Cb 0.18 -1.35 -0.08 0.00 -0.02 0.00 0.00 35.03 33.76 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 0.92 0.35 0.00 1.97 4.81 -1.78 -0.39 114.58 120.46 3nrz h GLU 802 Ca 0.00 -0.46 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 3nrz h GLU 802 Cb 0.86 0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.39 3nrz h GLU 802 CO 0.04 1.16 -0.17 0.25 -0.73 0.00 0.00 179.01 179.56 3nrz n THR 803 N -3.66 0.00 0.96 0.32 -2.24 -1.26 -4.46 114.28 103.94 3nrz n THR 803 Ca -0.08 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.83 3nrz n THR 803 Cb 0.92 -0.14 0.59 0.00 -2.10 0.00 0.00 70.33 69.60 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 -1.11 0.03 0.29 -0.78 5.12 -1.26 -2.62 116.66 116.32 3nrz n ARG 804 Ca 0.00 0.03 0.15 0.00 -1.93 0.00 0.00 57.85 56.10 3nrz n ARG 804 Cb 0.09 -1.50 0.86 0.00 -1.16 0.00 0.00 32.46 30.75 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 0.81 0.55 4.64 -1.80 -2.52 113.55 115.24 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 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 3nrz h SER 805 CO 0.00 0.04 0.00 0.71 -0.87 0.00 0.00 176.83 176.71 3nrz h THR 806 N 0.00 0.00 -0.62 2.95 1.35 -1.87 -2.24 112.91 112.48 3nrz h THR 806 Ca -0.00 -0.38 0.06 0.00 -0.55 0.00 0.00 66.41 65.54 3nrz h THR 806 Cb 0.13 1.31 -0.05 0.00 -1.73 0.00 0.00 68.15 67.80 3nrz h THR 806 CO 0.01 0.00 0.33 -0.07 -0.25 0.00 0.00 175.52 175.53 3nrz h LEU 807 N 0.00 0.47 0.12 3.87 3.38 -1.70 -0.96 115.31 120.49 3nrz h LEU 807 Ca 0.00 0.03 -0.19 0.00 0.09 0.00 0.00 57.88 57.81 3nrz h LEU 807 Cb 0.41 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.11 3nrz h LEU 807 CO 0.00 0.31 -0.91 0.58 0.09 0.00 0.00 178.44 178.51 3nrz h VAL 808 N 0.61 1.40 -0.63 1.22 2.07 -1.70 -3.33 116.25 115.89 3nrz h VAL 808 Ca 0.28 -2.48 0.07 0.00 0.82 0.00 0.00 66.70 65.40 3nrz h VAL 808 Cb 0.19 3.07 -0.06 0.00 -1.52 0.00 0.00 31.29 32.97 3nrz h VAL 808 CO -0.19 0.69 0.31 0.28 0.02 0.00 0.00 177.57 178.68 3nrz h SER 809 N -0.43 0.42 -0.36 0.57 0.02 -1.28 -1.24 113.55 111.25 3nrz h SER 809 Ca -0.18 0.05 -0.15 0.00 -0.84 0.00 0.00 61.79 60.67 3nrz h SER 809 Cb 1.60 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 64.11 3nrz h SER 809 CO 0.10 0.26 -0.37 0.58 -1.14 0.00 0.00 176.83 176.27 3nrz h VAL 810 N 0.57 1.27 -0.19 2.27 2.07 -1.35 -1.31 116.25 119.57 3nrz h VAL 810 Ca 0.30 -1.54 -0.00 0.00 0.82 0.00 0.00 66.70 66.27 3nrz h VAL 810 Cb 0.26 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 3nrz h VAL 810 CO -0.22 0.52 0.10 0.00 0.02 0.00 0.00 177.57 177.98 3nrz h ALA 811 N 0.82 0.25 -0.73 1.67 0.00 -1.57 -0.98 119.26 118.72 3nrz h ALA 811 Ca 0.07 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3nrz h ALA 811 Cb 0.95 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 3nrz h ALA 811 CO 0.09 -0.21 0.37 0.28 0.00 0.00 0.00 179.25 179.78 3nrz h VAL 812 N 0.20 1.23 -0.60 0.00 2.07 -1.13 -1.40 116.25 116.62 3nrz h VAL 812 Ca 0.07 -0.63 -0.00 0.00 0.82 0.00 0.00 66.70 66.95 3nrz h VAL 812 Cb 0.08 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.13 3nrz h VAL 812 CO -0.01 0.27 0.36 0.00 0.02 0.00 0.00 177.57 178.21 3nrz h ALA 813 N 1.18 0.76 -0.66 1.67 0.00 -1.08 -0.54 119.26 120.60 3nrz h ALA 813 Ca 0.25 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3nrz h ALA 813 Cb 0.09 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3nrz h ALA 813 CO -0.04 0.25 0.43 1.25 0.00 0.00 0.00 179.25 181.14 3nrz h LEU 814 N 0.81 0.76 -0.63 0.00 5.85 -0.83 0.28 115.31 121.54 3nrz h LEU 814 Ca 0.21 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 3nrz h LEU 814 Cb -0.01 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.80 3nrz h LEU 814 CO -0.04 0.56 0.32 0.00 -0.34 0.00 0.00 178.44 178.94 3nrz h ALA 815 N 1.23 0.82 -0.49 1.25 0.00 -0.80 0.50 119.26 121.77 3nrz h ALA 815 Ca 0.24 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3nrz h ALA 815 Cb -0.09 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 3nrz h ALA 815 CO -0.05 0.36 0.30 0.00 0.00 0.00 0.00 179.25 179.86 3nrz h ALA 816 N 1.15 0.62 -0.21 0.00 0.00 -0.84 -0.86 119.26 119.12 3nrz h ALA 816 Ca 0.22 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.10 3nrz h ALA 816 Cb 0.09 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3nrz h ALA 816 CO -0.03 0.10 0.04 -0.92 0.00 0.00 0.00 179.25 178.44 3nrz h TYR 817 N 0.66 0.08 -0.28 0.00 3.20 -0.54 0.94 116.97 121.02 3nrz h TYR 817 Ca 0.18 0.01 -0.16 0.00 3.14 0.00 0.00 58.73 61.90 3nrz h TYR 817 Cb -0.03 -0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.24 3nrz h TYR 817 CO -0.03 0.02 -0.46 -0.22 -1.64 0.00 0.00 178.16 175.83 3nrz h LYS 818 N 0.13 0.80 0.00 1.82 3.11 -0.66 -3.25 116.57 118.51 3nrz h LYS 818 Ca 0.10 -0.49 -0.14 0.00 -2.81 0.00 0.00 60.65 57.31 3nrz h LYS 818 Cb 0.09 0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 31.35 3nrz h LYS 818 CO -0.13 1.12 -1.24 1.79 -2.81 0.00 0.00 179.45 178.19 3nrz h THR 819 N 0.56 0.46 0.00 1.00 1.35 -1.20 -3.48 112.91 111.60 3nrz h THR 819 Ca 0.02 -1.86 0.00 0.00 -0.55 0.00 0.00 66.41 64.02 3nrz h THR 819 Cb 1.06 2.00 0.00 0.00 -1.73 0.00 0.00 68.15 69.48 3nrz h THR 819 CO 0.10 0.26 0.00 0.61 -0.25 0.00 0.00 175.52 176.25 3nrz n GLY 820 N 1.34 0.41 3.91 5.82 0.00 0.32 -5.04 105.19 111.96 3nrz n GLY 820 Ca -0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.08 3.39 0.44 1.61 3.76 -1.25 -4.83 115.29 116.34 3nrz s HIS 821 Ca 0.00 0.05 -0.25 0.00 -0.15 0.00 0.00 55.06 54.71 3nrz s HIS 821 Cb 0.00 -1.60 -0.09 0.00 1.11 0.00 0.00 32.58 32.00 3nrz s HIS 821 CO 0.00 0.50 1.34 -2.30 -0.85 0.00 0.00 174.74 173.43 3nrz n PRO 822 N -0.69 2.04 -4.04 8.40 -0.02 -1.26 -4.36 135.00 135.08 3nrz n PRO 822 Ca -0.08 0.73 -0.13 0.00 -2.02 0.00 0.00 63.50 62.00 3nrz n PRO 822 Cb 0.55 -2.49 -0.13 0.00 -0.02 0.00 0.00 33.50 31.41 3nrz n PRO 822 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3nrz s VAL 823 N -1.20 0.31 0.10 -1.45 1.01 -0.59 -0.88 120.40 117.70 3nrz s VAL 823 Ca 0.62 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 62.04 3nrz s VAL 823 Cb -0.48 -0.35 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 3nrz s VAL 823 CO 0.57 -0.18 -0.07 0.00 0.00 0.00 0.00 175.10 175.42 3nrz s ARG 824 N -0.81 0.83 -0.13 2.72 1.70 -0.52 -0.70 118.95 122.04 3nrz s ARG 824 Ca -0.06 -1.29 -0.07 0.00 -0.47 0.00 0.00 55.73 53.84 3nrz s ARG 824 Cb -0.06 -0.27 0.05 0.00 -0.57 0.00 0.00 34.95 34.10 3nrz s ARG 824 CO -0.00 0.00 0.30 0.00 -1.08 0.00 0.00 175.30 174.52 3nrz s MET 826 N 1.12 2.81 0.39 0.00 0.00 -1.26 -1.67 119.30 120.69 3nrz s MET 826 Ca -0.08 -0.80 -0.25 0.00 0.00 0.00 0.00 55.69 54.56 3nrz s MET 826 Cb -0.08 -2.15 -0.09 0.00 0.00 0.00 0.00 34.83 32.51 3nrz s MET 826 CO -0.08 0.14 1.14 -0.51 0.00 0.00 0.00 175.02 175.72 3nrz s LEU 827 N 0.42 4.20 0.60 4.11 1.43 -0.39 -5.01 118.68 124.04 3nrz s LEU 827 Ca -0.18 2.29 -0.16 0.00 -1.03 0.00 0.00 54.13 55.05 3nrz s LEU 827 Cb -0.18 -4.03 -0.03 0.00 0.03 0.00 0.00 46.19 41.98 3nrz s LEU 827 CO 0.08 -0.62 1.07 -1.81 0.23 0.00 0.00 176.35 175.30 3nrz s ASP 828 N -1.20 5.63 0.27 2.29 1.01 -1.26 -4.75 116.67 118.66 3nrz s ASP 828 Ca 0.57 1.88 -0.00 0.00 0.71 0.00 0.00 52.55 55.70 3nrz s ASP 828 Cb -0.29 -2.54 0.60 0.00 1.01 0.00 0.00 42.92 41.70 3nrz s ASP 828 CO 0.37 -1.27 1.69 -0.09 0.21 0.00 0.00 175.17 176.08 3nrz h ARG 829 N 0.41 0.34 -0.11 8.23 9.65 -1.95 -0.64 114.38 130.31 3nrz h ARG 829 Ca -0.47 -0.02 -0.12 0.00 -1.10 0.00 0.00 59.98 58.27 3nrz h ARG 829 Cb 1.23 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 29.72 3nrz h ARG 829 CO 0.57 0.23 -0.45 -2.95 2.80 0.00 0.00 179.97 180.16 3nrz h ASN 830 N 0.35 0.29 -0.06 -3.80 -1.07 -1.93 -0.97 115.58 108.40 3nrz h ASN 830 Ca 0.49 -0.13 -0.02 0.00 0.07 0.00 0.00 56.30 56.71 3nrz h ASN 830 Cb 0.88 -0.08 -0.00 0.00 -2.07 0.00 0.00 38.32 37.05 3nrz h ASN 830 CO -0.52 0.71 -0.03 -0.33 0.07 0.00 0.00 177.43 177.34 3nrz h GLU 831 N 0.22 0.13 -0.18 4.14 5.08 -1.73 -2.84 114.58 119.40 3nrz h GLU 831 Ca 0.02 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3nrz h GLU 831 Cb 0.89 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.12 3nrz h GLU 831 CO 0.07 0.50 0.03 0.22 -1.00 0.00 0.00 179.01 178.84 3nrz h ASP 832 N -0.26 0.01 0.04 1.42 3.58 -0.87 0.34 116.42 120.67 3nrz h ASP 832 Ca 0.01 0.03 -0.04 0.00 0.42 0.00 0.00 57.03 57.45 3nrz h ASP 832 Cb 0.47 0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.54 3nrz h ASP 832 CO 0.01 0.03 -0.11 0.24 -2.88 0.00 0.00 179.24 176.53 3nrz h MET 833 N 0.11 0.18 0.20 0.28 2.86 -1.25 -2.32 114.93 114.98 3nrz h MET 833 Ca 0.08 -0.03 -0.30 0.00 -2.06 0.00 0.00 59.70 57.39 3nrz h MET 833 Cb 0.07 -0.03 0.03 0.00 0.06 0.00 0.00 31.60 31.74 3nrz h MET 833 CO -0.11 0.30 -1.28 1.25 1.06 0.00 0.00 176.91 178.13 3nrz h LEU 834 N 0.17 0.77 0.04 1.22 5.85 -1.13 -3.41 115.31 118.83 3nrz h LEU 834 Ca 0.04 -0.91 -0.36 0.00 0.84 0.00 0.00 57.88 57.49 3nrz h LEU 834 Cb 0.31 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.04 3nrz h LEU 834 CO 0.02 1.62 -2.16 -0.38 -0.34 0.00 0.00 178.44 177.20 3nrz n ILE 835 N -3.83 1.60 1.25 4.05 5.41 0.04 -4.53 119.36 123.35 3nrz n ILE 835 Ca -0.16 -0.69 0.13 0.00 1.00 0.00 0.00 62.75 63.03 3nrz n ILE 835 Cb 1.02 -1.30 0.33 0.00 -0.71 0.00 0.00 39.64 38.98 3nrz n ILE 835 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 3nrz n THR 836 N -3.21 0.00 0.00 1.39 -2.24 -0.89 -4.76 114.28 104.57 3nrz n THR 836 Ca -0.34 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 3nrz n THR 836 Cb 1.05 0.61 0.00 0.00 -2.10 0.00 0.00 70.33 69.89 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 1.32 -1.76 0.00 3.38 0.00 -1.26 -4.84 105.19 102.03 3nrz n GLY 837 Ca 0.13 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.62 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 -1.93 5.01 3.78 -0.02 0.00 -1.26 -4.70 105.19 106.07 3nrz n GLY 838 Ca 0.00 -1.24 -0.35 0.00 0.00 0.00 0.00 46.02 44.43 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 1.35 3.55 -0.13 1.61 3.52 -0.43 -0.76 118.95 127.67 3nrz s ARG 839 Ca 0.00 1.59 -0.29 0.00 -0.13 0.00 0.00 55.73 56.90 3nrz s ARG 839 Cb 0.00 -2.12 -0.02 0.00 -1.56 0.00 0.00 34.95 31.25 3nrz s ARG 839 CO 0.00 -0.69 1.19 -1.01 -0.81 0.00 0.00 175.30 173.99 3nrz s HIS 840 N -1.76 3.08 0.58 5.12 3.76 -1.26 -3.90 115.29 120.90 3nrz s HIS 840 Ca 0.69 1.18 -0.20 0.00 -0.15 0.00 0.00 55.06 56.58 3nrz s HIS 840 Cb -0.23 -3.42 -0.04 0.00 1.11 0.00 0.00 32.58 30.00 3nrz s HIS 840 CO 0.27 -1.31 1.31 -2.14 -0.85 0.00 0.00 174.74 172.03 3nrz s PRO 841 N 2.88 2.97 0.01 8.40 0.02 -1.26 -4.69 135.00 143.34 3nrz s PRO 841 Ca 0.53 2.12 0.05 0.00 0.02 0.00 0.00 61.00 63.72 3nrz s PRO 841 Cb -0.22 -2.10 -0.02 0.00 0.02 0.00 0.00 34.50 32.18 3nrz s PRO 841 CO 0.17 -1.29 -0.16 -0.06 -0.33 0.00 0.00 177.00 175.33 3nrz s PHE 842 N -1.37 1.38 -0.09 6.54 2.99 -0.79 -1.30 117.98 125.34 3nrz s PHE 842 Ca 0.75 -0.31 0.01 0.00 0.00 0.00 0.00 56.93 57.39 3nrz s PHE 842 Cb -0.38 -0.86 -0.02 0.00 0.00 0.00 0.00 43.02 41.76 3nrz s PHE 842 CO 0.43 0.01 -0.13 -1.17 -0.00 0.00 0.00 175.22 174.37 3nrz s LEU 843 N -0.74 2.79 -0.02 -0.37 2.96 0.24 -1.01 118.68 122.54 3nrz s LEU 843 Ca 0.05 -0.23 0.05 0.00 -0.22 0.00 0.00 54.13 53.78 3nrz s LEU 843 Cb -0.07 -1.60 -0.01 0.00 0.50 0.00 0.00 46.19 45.00 3nrz s LEU 843 CO 0.00 0.26 -0.17 0.00 -1.32 0.00 0.00 176.35 175.12 3nrz s ALA 844 N -0.20 1.46 -0.15 5.97 0.00 0.27 -0.65 121.76 128.45 3nrz s ALA 844 Ca 0.01 -0.75 -0.00 0.00 0.00 0.00 0.00 51.96 51.21 3nrz s ALA 844 Cb -0.13 -0.38 -0.01 0.00 0.00 0.00 0.00 23.12 22.60 3nrz s ALA 844 CO 0.03 0.35 -0.13 1.03 0.00 0.00 0.00 175.76 177.05 3nrz s ARG 845 N -0.38 3.33 0.08 0.00 0.52 -0.33 -1.14 118.95 121.03 3nrz s ARG 845 Ca 0.06 -0.70 0.04 0.00 -0.52 0.00 0.00 55.73 54.61 3nrz s ARG 845 Cb -0.07 -2.68 -0.03 0.00 0.52 0.00 0.00 34.95 32.69 3nrz s ARG 845 CO -0.01 0.10 -0.10 1.52 0.02 0.00 0.00 175.30 176.84 3nrz s TYR 846 N 0.63 0.99 -0.05 -0.53 -0.85 -0.48 -0.57 117.35 116.49 3nrz s TYR 846 Ca -0.07 -0.60 -0.02 0.00 -0.52 0.00 0.00 57.07 55.87 3nrz s TYR 846 Cb -0.15 -0.56 0.04 0.00 0.38 0.00 0.00 41.96 41.66 3nrz s TYR 846 CO 0.03 -0.02 0.09 0.21 -1.52 0.00 0.00 175.55 174.34 3nrz s LYS 847 N -2.37 -0.00 -0.04 -3.49 2.20 0.28 -0.97 119.74 115.34 3nrz s LYS 847 Ca 0.01 0.34 0.05 0.00 -0.36 0.00 0.00 55.97 56.01 3nrz s LYS 847 Cb -0.05 -0.29 -0.01 0.00 -1.51 0.00 0.00 37.83 35.96 3nrz s LYS 847 CO 0.00 -0.23 -0.21 0.08 -0.36 0.00 0.00 175.35 174.63 3nrz s VAL 848 N 1.55 1.74 -0.09 4.02 1.01 -0.13 -0.56 120.40 127.94 3nrz s VAL 848 Ca -0.04 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.05 3nrz s VAL 848 Cb -0.12 -1.48 -0.02 0.00 0.00 0.00 0.00 36.38 34.76 3nrz s VAL 848 CO -0.04 0.49 -0.12 -0.83 0.00 0.00 0.00 175.10 174.60 3nrz s GLY 849 N -0.14 1.57 0.14 4.51 0.00 0.29 -1.44 107.32 112.24 3nrz s GLY 849 Ca -0.02 -0.92 -0.11 0.00 0.00 0.00 0.00 44.72 43.67 3nrz s GLY 849 CO 0.02 -0.49 0.31 -0.11 0.00 0.00 0.00 173.10 172.83 3nrz s PHE 850 N -0.27 0.15 0.56 1.90 -0.12 -0.56 -0.58 117.98 119.06 3nrz s PHE 850 Ca 0.02 -0.52 -0.03 0.00 -0.05 0.00 0.00 56.93 56.35 3nrz s PHE 850 Cb -0.13 0.06 0.02 0.00 -0.63 0.00 0.00 43.02 42.34 3nrz s PHE 850 CO 0.03 -0.69 0.83 -1.64 -0.05 0.00 0.00 175.22 173.69 3nrz s MET 851 N -3.89 2.82 0.57 1.99 -1.94 -0.02 -0.99 119.30 117.83 3nrz s MET 851 Ca 0.10 -0.28 0.37 0.00 -1.71 0.00 0.00 55.69 54.17 3nrz s MET 851 Cb 0.03 -2.37 1.80 0.00 2.01 0.00 0.00 34.83 36.30 3nrz s MET 851 CO -0.06 -0.65 2.12 0.87 -0.01 0.00 0.00 175.02 177.30 3nrz h LYS 852 N -0.03 0.00 0.00 2.03 1.57 -1.93 0.86 116.57 119.07 3nrz h LYS 852 Ca -0.45 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.33 3nrz h LYS 852 Cb 1.27 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.58 3nrz h LYS 852 CO 0.58 0.00 -0.02 1.15 -0.57 0.00 0.00 179.45 180.59 3nrz h THR 853 N 0.00 0.08 0.00 -0.16 2.02 -1.95 -3.46 112.91 109.44 3nrz h THR 853 Ca 0.00 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 66.77 3nrz h THR 853 Cb 0.25 1.37 0.00 0.00 -1.74 0.00 0.00 68.15 68.03 3nrz h THR 853 CO 0.00 0.02 0.00 0.61 0.37 0.00 0.00 175.52 176.52 3nrz n GLY 854 N -0.32 0.58 3.71 2.16 0.00 0.30 -4.93 105.19 106.70 3nrz n GLY 854 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.24 3.39 0.07 2.61 2.01 -1.26 -4.76 115.64 115.46 3nrz s THR 855 Ca 0.00 0.99 -0.30 0.00 0.31 0.00 0.00 61.69 62.69 3nrz s THR 855 Cb 0.00 -3.63 -0.05 0.00 0.01 0.00 0.00 72.50 68.83 3nrz s THR 855 CO 0.00 0.07 0.98 -0.63 -0.69 0.00 0.00 174.62 174.36 3nrz s ILE 856 N 1.16 4.62 -0.02 1.82 -1.09 -1.26 -0.84 121.20 125.58 3nrz s ILE 856 Ca 0.64 2.03 0.04 0.00 -2.23 0.00 0.00 60.65 61.13 3nrz s ILE 856 Cb -0.36 -4.30 -0.06 0.00 -1.58 0.00 0.00 42.46 36.16 3nrz s ILE 856 CO 0.30 0.24 0.06 0.52 -1.23 0.00 0.00 174.94 174.84 3nrz n VAL 857 N 3.28 0.11 -3.65 2.92 0.31 0.26 -4.60 118.33 116.96 3nrz n VAL 857 Ca 0.04 -0.13 -0.15 0.00 -0.01 0.00 0.00 64.34 64.09 3nrz n VAL 857 Cb 0.50 -0.12 -0.08 0.00 -0.91 0.00 0.00 33.84 33.23 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 -2.23 -1.45 -0.05 3.52 0.00 -0.95 -3.60 121.76 117.00 3nrz s ALA 858 Ca -0.02 1.40 -0.03 0.00 0.00 0.00 0.00 51.96 53.32 3nrz s ALA 858 Cb 0.02 -0.59 0.03 0.00 0.00 0.00 0.00 23.12 22.58 3nrz s ALA 858 CO 0.18 -0.30 0.11 -1.17 0.00 0.00 0.00 175.76 174.58 3nrz s LEU 859 N -0.28 1.05 -0.09 0.00 2.96 0.09 -0.55 118.68 121.86 3nrz s LEU 859 Ca -0.05 0.23 0.01 0.00 -0.22 0.00 0.00 54.13 54.10 3nrz s LEU 859 Cb -0.03 0.29 0.02 0.00 0.50 0.00 0.00 46.19 46.96 3nrz s LEU 859 CO 0.04 -0.11 -0.10 -0.70 -1.32 0.00 0.00 176.35 174.16 3nrz s GLU 860 N 0.81 1.63 -0.07 1.98 2.12 0.28 -0.98 118.70 124.47 3nrz s GLU 860 Ca -0.06 -0.34 -0.00 0.00 0.36 0.00 0.00 54.97 54.93 3nrz s GLU 860 Cb -0.08 -1.51 0.02 0.00 0.26 0.00 0.00 34.13 32.82 3nrz s GLU 860 CO -0.04 -0.12 -0.04 0.08 -0.54 0.00 0.00 175.26 174.60 3nrz s VAL 861 N 1.19 0.60 -0.23 3.70 1.01 -0.46 -0.56 120.40 125.65 3nrz s VAL 861 Ca -0.05 -0.07 -0.07 0.00 0.00 0.00 0.00 61.98 61.79 3nrz s VAL 861 Cb -0.14 -0.67 -0.03 0.00 0.00 0.00 0.00 36.38 35.54 3nrz s VAL 861 CO -0.03 0.27 0.06 -1.81 0.00 0.00 0.00 175.10 173.60 3nrz s ASP 862 N 1.48 5.25 -0.03 3.32 1.01 0.27 -0.89 116.67 127.08 3nrz s ASP 862 Ca -0.02 -0.13 0.01 0.00 0.71 0.00 0.00 52.55 53.13 3nrz s ASP 862 Cb -0.13 -1.93 -0.03 0.00 1.01 0.00 0.00 42.92 41.84 3nrz s ASP 862 CO -0.03 0.03 -0.04 -1.00 0.21 0.00 0.00 175.17 174.33 3nrz s HIS 863 N 1.25 2.99 -0.06 4.23 3.76 0.87 -1.18 115.29 127.14 3nrz s HIS 863 Ca 0.05 0.04 0.01 0.00 -0.15 0.00 0.00 55.06 55.00 3nrz s HIS 863 Cb -0.15 -1.68 0.02 0.00 1.11 0.00 0.00 32.58 31.89 3nrz s HIS 863 CO 0.03 0.40 -0.05 0.71 -0.85 0.00 0.00 174.74 174.99 3nrz s TYR 864 N -0.96 0.91 -0.01 1.40 1.51 0.18 -1.12 117.35 119.26 3nrz s TYR 864 Ca 0.16 -0.30 0.00 0.00 -1.01 0.00 0.00 57.07 55.92 3nrz s TYR 864 Cb -0.11 -0.81 -0.04 0.00 -0.11 0.00 0.00 41.96 40.89 3nrz s TYR 864 CO 0.06 -0.27 0.04 -1.54 -1.11 0.00 0.00 175.55 172.74 3nrz s SER 865 N 1.19 5.44 -0.72 2.29 1.04 -0.71 -0.60 113.70 121.63 3nrz s SER 865 Ca -0.06 0.09 -0.25 0.00 0.48 0.00 0.00 55.95 56.21 3nrz s SER 865 Cb -0.14 -1.51 0.05 0.00 0.10 0.00 0.00 66.02 64.52 3nrz s SER 865 CO -0.02 0.29 1.16 0.21 0.98 0.00 0.00 173.24 175.86 3nrz s ASN 866 N -1.59 6.18 0.28 7.02 3.84 -0.42 -0.49 114.94 129.76 3nrz s ASN 866 Ca 0.21 -0.71 0.21 0.00 0.21 0.00 0.00 52.86 52.78 3nrz s ASN 866 Cb -0.12 -2.50 0.11 0.00 -0.55 0.00 0.00 41.25 38.19 3nrz s ASN 866 CO 0.11 -1.67 1.26 0.00 -2.79 0.00 0.00 177.10 174.02 3nrz h ALA 867 N 9.83 0.71 0.00 1.71 0.00 -1.57 -3.40 119.26 126.54 3nrz h ALA 867 Ca -0.26 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3nrz h ALA 867 Cb 1.06 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3nrz h ALA 867 CO 1.24 0.14 0.00 0.41 0.00 0.00 0.00 179.25 181.05 3nrz n GLY 868 N 1.18 -1.32 0.88 0.00 0.00 -1.23 -1.39 105.19 103.30 3nrz n GLY 868 Ca 0.01 -1.39 0.09 0.00 0.00 0.00 0.00 46.02 44.72 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 0.17 2.58 -4.06 1.61 6.94 0.22 -2.52 115.26 120.19 3nrz n ASN 869 Ca 0.00 -1.96 -0.10 0.00 -0.02 0.00 0.00 54.58 52.49 3nrz n ASN 869 Cb 0.00 -0.30 -0.07 0.00 -2.36 0.00 0.00 39.78 37.05 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 -1.11 0.02 -0.02 0.53 1.04 -1.26 -4.94 113.70 107.97 3nrz s SER 870 Ca 0.33 -1.12 -0.22 0.00 0.48 0.00 0.00 55.95 55.43 3nrz s SER 870 Cb 0.18 0.51 -0.15 0.00 0.10 0.00 0.00 66.02 66.66 3nrz s SER 870 CO 0.24 -1.03 0.99 0.03 0.98 0.00 0.00 173.24 174.45 3nrz h ARG 871 N 2.39 -0.41 0.00 4.02 3.08 -1.89 -3.44 114.38 118.12 3nrz h ARG 871 Ca -0.30 0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.78 3nrz h ARG 871 Cb 1.25 0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.39 3nrz h ARG 871 CO 0.42 -0.08 0.00 -3.47 -1.07 0.00 0.00 179.97 175.77 3nrz n ASP 872 N -5.09 0.00 -1.02 7.04 -0.08 -1.26 -1.59 116.55 114.55 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 0.27 0.00 0.23 0.00 2.34 0.00 0.00 41.12 43.95 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 2.95 -0.20 -2.67 4.77 -1.26 -4.55 117.00 116.03 3nrz n LEU 873 Ca 0.00 -1.48 0.04 0.00 -0.03 0.00 0.00 56.01 54.54 3nrz n LEU 873 Cb 0.00 -0.39 0.30 0.00 -2.33 0.00 0.00 43.42 41.00 3nrz n LEU 873 CO 0.00 0.62 1.23 0.28 -1.33 0.00 0.00 177.39 178.18 3nrz h SER 874 N 2.79 0.76 -0.30 -1.43 0.02 -1.56 -1.29 113.55 112.54 3nrz h SER 874 Ca 0.00 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 3nrz h SER 874 Cb 0.84 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.19 3nrz h SER 874 CO 0.07 0.52 0.05 -0.74 -1.14 0.00 0.00 176.83 175.59 3nrz h HIS 875 N 0.88 0.54 -0.30 3.45 -0.00 -1.80 -2.12 115.15 115.80 3nrz h HIS 875 Ca 0.30 -0.08 -0.10 0.00 -0.00 0.00 0.00 60.37 60.49 3nrz h HIS 875 Cb 0.10 -0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 27.35 3nrz h HIS 875 CO -0.00 0.59 -0.25 0.77 -0.00 0.00 0.00 177.93 179.05 3nrz h SER 876 N 0.33 0.59 -0.51 3.26 0.02 -1.74 -1.33 113.55 114.17 3nrz h SER 876 Ca 0.09 -0.21 0.02 0.00 -0.84 0.00 0.00 61.79 60.86 3nrz h SER 876 Cb 0.35 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.69 3nrz h SER 876 CO 0.01 0.83 0.31 0.40 -1.14 0.00 0.00 176.83 177.23 3nrz h ILE 877 N 0.52 1.06 -0.46 3.27 2.04 -1.17 -0.66 117.51 122.10 3nrz h ILE 877 Ca 0.07 -0.21 -0.11 0.00 1.00 0.00 0.00 64.86 65.61 3nrz h ILE 877 Cb 0.70 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 3nrz h ILE 877 CO 0.05 0.11 -0.16 -0.03 0.00 0.00 0.00 178.15 178.12 3nrz h MET 878 N 0.61 0.89 -0.11 2.37 4.05 -0.98 -0.25 114.93 121.51 3nrz h MET 878 Ca 0.20 -0.34 0.04 0.00 -0.28 0.00 0.00 59.70 59.32 3nrz h MET 878 Cb 0.01 -0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 30.72 3nrz h MET 878 CO -0.09 0.99 -0.13 0.93 0.23 0.00 0.00 176.91 178.84 3nrz h GLU 879 N 0.79 -0.15 -0.77 0.39 5.08 -1.02 -0.94 114.58 117.96 3nrz h GLU 879 Ca 0.12 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.52 3nrz h GLU 879 Cb 0.70 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.94 3nrz h GLU 879 CO 0.05 -0.10 0.48 -0.09 -1.00 0.00 0.00 179.01 178.35 3nrz h ARG 880 N -0.16 0.91 -0.37 2.33 2.43 -0.93 -1.32 114.38 117.27 3nrz h ARG 880 Ca 0.08 -0.06 0.06 0.00 -0.81 0.00 0.00 59.98 59.26 3nrz h ARG 880 Cb 0.28 -0.21 -0.05 0.00 -0.42 0.00 0.00 29.97 29.57 3nrz h ARG 880 CO -0.21 0.61 0.05 0.00 -1.51 0.00 0.00 179.97 178.91 3nrz h ALA 881 N 1.33 0.37 -0.72 2.80 0.00 -0.68 -2.39 119.26 119.96 3nrz h ALA 881 Ca 0.31 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 3nrz h ALA 881 Cb 0.02 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3nrz h ALA 881 CO -0.12 -0.35 0.40 -0.07 0.00 0.00 0.00 179.25 179.11 3nrz h LEU 882 N 0.16 0.89 -2.48 0.00 3.38 -0.77 -1.32 115.31 115.17 3nrz h LEU 882 Ca 0.18 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 3nrz h LEU 882 Cb 0.22 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 3nrz h LEU 882 CO -0.25 0.72 -0.01 -0.26 0.09 0.00 0.00 178.44 178.73 3nrz h PHE 883 N 1.01 0.00 -0.25 1.13 0.05 -0.77 -3.11 116.94 115.00 3nrz h PHE 883 Ca 0.26 0.00 0.00 0.00 3.82 0.00 0.00 57.97 62.05 3nrz h PHE 883 Cb 0.02 0.00 0.00 0.00 2.00 0.00 0.00 35.95 37.97 3nrz h PHE 883 CO 0.01 0.01 0.00 0.72 -0.18 0.00 0.00 178.31 178.86 3nrz n HIS 884 N -3.15 0.41 0.44 -0.55 8.25 -0.54 -4.64 115.22 115.44 3nrz n HIS 884 Ca -0.02 -0.56 0.11 0.00 -0.26 0.00 0.00 57.72 56.99 3nrz n HIS 884 Cb 0.15 -0.07 0.46 0.00 1.12 0.00 0.00 29.99 31.65 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 0.11 0.17 0.18 -0.41 0.00 -0.98 -2.11 117.12 114.07 3nrz n MET 885 Ca 0.11 0.38 0.13 0.00 0.00 0.00 0.00 57.70 58.31 3nrz n MET 885 Cb 0.46 -1.80 0.33 0.00 0.00 0.00 0.00 33.22 32.21 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 -1.84 -3.42 116.42 116.36 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 0.37 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.87 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 -2.76 0.00 -1.47 4.15 5.15 -0.90 -1.30 115.26 118.13 3nrz n ASN 887 Ca 0.04 0.00 0.06 0.00 -0.60 0.00 0.00 54.58 54.08 3nrz n ASN 887 Cb 0.45 0.00 0.33 0.00 -0.53 0.00 0.00 39.78 40.03 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 -2.84 2.75 -0.22 0.00 1.51 -0.42 -1.03 117.35 117.10 3nrz s TYR 889 Ca 0.49 -0.45 -0.28 0.00 -1.01 0.00 0.00 57.07 55.82 3nrz s TYR 889 Cb 0.39 -1.74 0.00 0.00 -0.11 0.00 0.00 41.96 40.50 3nrz s TYR 889 CO 0.12 -0.05 1.00 0.21 -1.11 0.00 0.00 175.55 175.72 3nrz s LYS 890 N -0.12 4.27 -0.25 -0.62 2.47 0.37 -4.80 119.74 121.06 3nrz s LYS 890 Ca -0.02 1.29 -0.01 0.00 -1.56 0.00 0.00 55.97 55.67 3nrz s LYS 890 Cb -0.14 -3.63 0.07 0.00 -1.46 0.00 0.00 37.83 32.68 3nrz s LYS 890 CO 0.04 -0.57 0.04 0.42 0.16 0.00 0.00 175.35 175.43 3nrz s ILE 891 N 2.99 0.86 0.22 5.43 1.01 -1.26 -4.81 121.20 125.65 3nrz s ILE 891 Ca 0.43 -1.01 0.19 0.00 0.00 0.00 0.00 60.65 60.26 3nrz s ILE 891 Cb -0.15 -1.42 0.14 0.00 0.01 0.00 0.00 42.46 41.04 3nrz s ILE 891 CO 0.08 -0.36 1.78 1.55 0.00 0.00 0.00 174.94 177.98 3nrz h PRO 892 N 8.13 0.00 -4.56 2.79 0.13 -1.81 -3.40 132.00 133.28 3nrz h PRO 892 Ca -0.15 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.35 3nrz h PRO 892 Cb 1.07 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 31.83 3nrz h PRO 892 CO 0.40 0.35 -0.80 -0.80 -0.23 0.00 0.00 178.00 176.92 3nrz s ASN 893 N -6.47 3.61 -0.07 1.44 0.01 -1.24 -3.89 114.94 108.34 3nrz s ASN 893 Ca -0.01 -1.01 -0.07 0.00 -0.71 0.00 0.00 52.86 51.06 3nrz s ASN 893 Cb 0.12 -1.25 0.02 0.00 0.41 0.00 0.00 41.25 40.54 3nrz s ASN 893 CO 0.68 -0.17 0.20 -0.51 -1.51 0.00 0.00 177.10 175.79 3nrz s ILE 894 N 1.36 0.01 -0.09 0.60 2.07 0.03 -0.74 121.20 124.44 3nrz s ILE 894 Ca -0.03 -0.05 -0.03 0.00 -1.41 0.00 0.00 60.65 59.12 3nrz s ILE 894 Cb -0.17 -0.31 0.05 0.00 0.13 0.00 0.00 42.46 42.16 3nrz s ILE 894 CO -0.07 -0.03 0.16 -0.60 -1.91 0.00 0.00 174.94 172.49 3nrz s ARG 895 N -0.01 0.04 -0.04 3.50 3.52 -0.15 -1.06 118.95 124.75 3nrz s ARG 895 Ca -0.01 0.52 0.06 0.00 -0.13 0.00 0.00 55.73 56.17 3nrz s ARG 895 Cb -0.02 -0.38 -0.02 0.00 -1.56 0.00 0.00 34.95 32.97 3nrz s ARG 895 CO 0.00 -0.34 -0.21 0.20 -0.81 0.00 0.00 175.30 174.14 3nrz s GLY 896 N 2.29 1.38 0.21 8.12 0.00 -0.42 -1.35 107.32 117.55 3nrz s GLY 896 Ca 0.03 -1.05 0.07 0.00 0.00 0.00 0.00 44.72 43.77 3nrz s GLY 896 CO -0.06 -0.80 -0.11 -0.51 0.00 0.00 0.00 173.10 171.61 3nrz s THR 897 N -0.55 1.61 -0.05 0.90 -4.23 -0.07 -1.47 115.64 111.77 3nrz s THR 897 Ca 0.08 -2.17 -0.07 0.00 -1.18 0.00 0.00 61.69 58.35 3nrz s THR 897 Cb -0.11 -2.12 0.01 0.00 1.34 0.00 0.00 72.50 71.62 3nrz s THR 897 CO 0.00 -0.54 0.18 -0.83 -0.54 0.00 0.00 174.62 172.90 3nrz s GLY 898 N -3.32 -0.09 0.04 3.99 0.00 0.39 -0.09 107.32 108.22 3nrz s GLY 898 Ca 0.24 0.35 0.04 0.00 0.00 0.00 0.00 44.72 45.34 3nrz s GLY 898 CO 0.07 0.25 -0.12 -1.60 0.00 0.00 0.00 173.10 171.70 3nrz s ARG 899 N -0.36 0.80 -0.30 2.90 6.06 -0.27 -1.27 118.95 126.51 3nrz s ARG 899 Ca -0.05 -0.72 -0.10 0.00 -2.50 0.00 0.00 55.73 52.36 3nrz s ARG 899 Cb -0.03 -0.77 -0.02 0.00 0.06 0.00 0.00 34.95 34.18 3nrz s ARG 899 CO 0.01 0.19 0.17 -0.51 -2.50 0.00 0.00 175.30 172.65 3nrz s LEU 900 N -1.16 4.09 -0.02 -0.88 1.43 -1.26 -1.74 118.68 119.13 3nrz s LEU 900 Ca -0.01 -0.31 -0.29 0.00 -1.03 0.00 0.00 54.13 52.49 3nrz s LEU 900 Cb -0.08 -2.06 -0.03 0.00 0.03 0.00 0.00 46.19 44.06 3nrz s LEU 900 CO 0.01 -0.14 0.95 0.00 0.23 0.00 0.00 176.35 177.40 3nrz s LYS 902 N 1.13 3.53 0.12 0.00 2.20 0.26 -1.40 119.74 125.58 3nrz s LYS 902 Ca 0.50 -0.26 -0.00 0.00 -0.36 0.00 0.00 55.97 55.85 3nrz s LYS 902 Cb -0.20 -3.84 -0.04 0.00 -1.51 0.00 0.00 37.83 32.24 3nrz s LYS 902 CO 0.25 -0.69 0.02 0.95 -0.36 0.00 0.00 175.35 175.52 3nrz s THR 903 N 2.39 0.29 -1.32 3.43 -4.23 -1.05 -4.72 115.64 110.43 3nrz s THR 903 Ca 0.18 -1.91 -0.06 0.00 -1.18 0.00 0.00 61.69 58.73 3nrz s THR 903 Cb -0.16 -1.92 0.13 0.00 1.34 0.00 0.00 72.50 71.89 3nrz s THR 903 CO 0.14 -0.61 2.31 0.59 -0.54 0.00 0.00 174.62 176.51 3nrz n ASN 904 N -0.08 7.67 -4.11 3.99 3.02 0.12 -2.29 115.26 123.58 3nrz n ASN 904 Ca -0.08 -3.14 -0.13 0.00 -0.03 0.00 0.00 54.58 51.20 3nrz n ASN 904 Cb 0.63 -1.38 -0.11 0.00 -0.61 0.00 0.00 39.78 38.31 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 -1.88 2.33 0.19 3.41 1.43 -1.25 -4.52 118.68 118.38 3nrz s LEU 905 Ca 0.52 -0.68 -0.31 0.00 -1.03 0.00 0.00 54.13 52.63 3nrz s LEU 905 Cb 0.17 -0.19 -0.16 0.00 0.03 0.00 0.00 46.19 46.04 3nrz s LEU 905 CO -0.08 -0.25 0.97 -1.20 0.23 0.00 0.00 176.35 176.02 3nrz n SER 906 N 1.04 0.61 -4.69 2.29 7.64 -1.26 -0.61 113.62 118.64 3nrz n SER 906 Ca -0.20 1.15 -0.44 0.00 1.01 0.00 0.00 58.87 60.40 3nrz n SER 906 Cb 0.56 -1.14 -0.03 0.00 -1.01 0.00 0.00 64.21 62.58 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 1.77 3.80 -4.90 6.43 2.88 -1.26 -4.36 113.62 117.97 3nrz n SER 907 Ca 0.15 1.02 -0.28 0.00 -1.33 0.00 0.00 58.87 58.42 3nrz n SER 907 Cb 0.25 -1.51 0.02 0.00 -0.75 0.00 0.00 64.21 62.21 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 2.20 5.97 0.00 -3.46 0.01 -0.49 -4.02 114.94 115.16 3nrz s ASN 908 Ca 0.81 1.02 0.00 0.00 -0.71 0.00 0.00 52.86 53.99 3nrz s ASN 908 Cb -0.54 -2.12 0.00 0.00 0.41 0.00 0.00 41.25 38.99 3nrz s ASN 908 CO 0.38 -0.88 0.00 1.07 -1.51 0.00 0.00 177.10 176.16 3nrz n THR 909 N -2.57 0.00 -1.90 1.60 5.66 0.06 -4.56 114.28 112.57 3nrz n THR 909 Ca 0.04 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.63 3nrz n THR 909 Cb 0.56 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.33 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 -1.77 3.60 -0.14 1.79 0.00 -1.26 -4.46 121.76 119.51 3nrz s ALA 910 Ca 0.00 1.46 -0.08 0.00 0.00 0.00 0.00 51.96 53.35 3nrz s ALA 910 Cb 0.00 -3.58 0.05 0.00 0.00 0.00 0.00 23.12 19.60 3nrz s ALA 910 CO 0.00 -0.90 0.34 0.12 0.00 0.00 0.00 175.76 175.33 3nrz s PHE 911 N -0.72 -0.50 0.00 0.00 5.99 -1.26 -3.32 117.98 118.18 3nrz s PHE 911 Ca 0.55 1.09 0.00 0.00 0.00 0.00 0.00 56.93 58.57 3nrz s PHE 911 Cb -0.44 0.18 0.00 0.00 0.00 0.00 0.00 43.02 42.75 3nrz s PHE 911 CO 0.55 -0.30 0.00 -2.13 -0.00 0.00 0.00 175.22 173.33 3nrz n ARG 912 N 4.30 0.00 0.00 10.12 0.63 0.32 -0.20 116.66 131.83 3nrz n ARG 912 Ca -0.23 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.70 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 2.45 3.52 5.14 0.00 -1.26 -4.91 105.19 110.13 3nrz n GLY 913 Ca 0.00 -0.70 -0.20 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.11 0.00 1.61 7.35 0.72 -1.62 117.46 123.41 3nrz n PHE 914 Ca 0.00 0.84 0.00 0.00 -0.76 0.00 0.00 57.45 57.53 3nrz n PHE 914 Cb 0.00 -4.47 0.00 0.00 0.35 0.00 0.00 39.48 35.36 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 -1.37 3.06 0.39 7.13 0.00 -1.26 -4.47 105.19 108.67 3nrz n GLY 915 Ca -0.23 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.88 0.44 -0.02 0.00 -1.56 -2.45 103.07 98.61 3nrz h GLY 916 Ca 0.00 0.43 0.12 0.00 0.00 0.00 0.00 47.33 47.88 3nrz h GLY 916 CO 0.00 -0.31 0.54 -2.55 0.00 0.00 0.00 176.54 174.22 3nrz h PRO 917 N -0.77 0.82 -0.18 4.80 0.11 -1.91 0.42 132.00 135.30 3nrz h PRO 917 Ca -0.03 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.03 3nrz h PRO 917 Cb 0.69 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.61 3nrz h PRO 917 CO -0.07 0.54 0.10 1.96 -0.21 0.00 0.00 178.00 180.33 3nrz h GLN 918 N 0.85 0.25 -0.44 1.05 7.50 -1.93 0.01 115.11 122.40 3nrz h GLN 918 Ca 0.46 -0.03 -0.10 0.00 0.50 0.00 0.00 58.65 59.48 3nrz h GLN 918 Cb 0.48 -0.05 -0.02 0.00 0.05 0.00 0.00 27.48 27.95 3nrz h GLN 918 CO -0.28 0.25 -0.14 0.00 -1.50 0.00 0.00 178.83 177.16 3nrz h ALA 919 N 0.99 0.93 -0.20 3.87 0.00 -0.90 -2.20 119.26 121.75 3nrz h ALA 919 Ca 0.06 -0.34 -0.17 0.00 0.00 0.00 0.00 54.91 54.47 3nrz h ALA 919 Cb 0.07 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3nrz h ALA 919 CO -0.01 0.62 -0.56 -0.07 0.00 0.00 0.00 179.25 179.23 3nrz h LEU 920 N 0.73 0.69 -0.49 0.00 3.38 -0.83 -1.89 115.31 116.90 3nrz h LEU 920 Ca 0.12 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 3nrz h LEU 920 Cb 0.64 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 3nrz h LEU 920 CO 0.04 1.11 0.27 0.15 0.09 0.00 0.00 178.44 180.10 3nrz h PHE 921 N 0.47 0.68 -0.43 1.13 3.57 -0.82 -0.87 116.94 120.67 3nrz h PHE 921 Ca 0.01 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 3nrz h PHE 921 Cb 1.12 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.62 3nrz h PHE 921 CO 0.05 0.50 0.26 0.82 -2.23 0.00 0.00 178.31 177.72 3nrz h ILE 922 N 0.65 1.13 -0.23 1.41 2.04 -1.26 -0.97 117.51 120.29 3nrz h ILE 922 Ca 0.17 -0.30 0.02 0.00 1.00 0.00 0.00 64.86 65.76 3nrz h ILE 922 Cb 0.05 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 36.66 3nrz h ILE 922 CO -0.03 0.13 0.07 0.00 0.00 0.00 0.00 178.15 178.33 3nrz h ALA 923 N 1.12 0.25 -0.05 1.87 0.00 -1.11 -2.49 119.26 118.85 3nrz h ALA 923 Ca 0.15 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 3nrz h ALA 923 Cb -0.01 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3nrz h ALA 923 CO -0.03 -0.34 -0.34 0.93 0.00 0.00 0.00 179.25 179.47 3nrz h GLU 924 N 0.18 0.09 0.47 0.00 4.39 -0.94 -1.50 114.58 117.27 3nrz h GLU 924 Ca 0.10 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.74 3nrz h GLU 924 Cb 0.07 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 3nrz h GLU 924 CO -0.11 0.43 -0.22 -0.97 -1.16 0.00 0.00 179.01 176.98 3nrz h ASN 925 N 0.08 -0.53 0.10 1.42 -1.24 -0.94 0.69 115.58 115.16 3nrz h ASN 925 Ca 0.01 -0.02 -0.06 0.00 0.71 0.00 0.00 56.30 56.94 3nrz h ASN 925 Cb 0.65 0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.83 3nrz h ASN 925 CO 0.05 -0.33 -0.20 4.11 -1.29 0.00 0.00 177.43 179.77 3nrz h TRP 926 N -0.70 0.22 -0.53 0.67 5.08 -1.32 -2.07 115.95 117.30 3nrz h TRP 926 Ca -0.06 -0.03 -0.09 0.00 1.08 0.00 0.00 58.89 59.79 3nrz h TRP 926 Cb 0.52 -0.06 -0.02 0.00 -3.00 0.00 0.00 29.16 26.60 3nrz h TRP 926 CO -0.03 0.40 -0.02 1.98 -1.28 0.00 0.00 178.44 179.49 3nrz h MET 927 N 0.19 0.91 -0.61 0.12 4.05 -1.11 -0.76 114.93 117.72 3nrz h MET 927 Ca 0.03 -0.27 -0.03 0.00 -0.28 0.00 0.00 59.70 59.15 3nrz h MET 927 Cb 0.47 -0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 31.15 3nrz h MET 927 CO 0.03 0.92 0.25 0.66 0.23 0.00 0.00 176.91 179.00 3nrz h SER 928 N 0.84 0.81 0.14 1.39 4.64 -0.31 -2.58 113.55 118.47 3nrz h SER 928 Ca 0.15 -0.10 -0.14 0.00 -0.47 0.00 0.00 61.79 61.23 3nrz h SER 928 Cb 0.52 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 3nrz h SER 928 CO 0.03 0.72 -0.51 -0.33 -0.87 0.00 0.00 176.83 175.87 3nrz h GLU 929 N 0.88 0.42 -0.01 4.77 5.08 -0.74 -2.25 114.58 122.74 3nrz h GLU 929 Ca 0.21 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3nrz h GLU 929 Cb 0.16 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 3nrz h GLU 929 CO -0.02 0.83 -0.01 0.28 -1.00 0.00 0.00 179.01 179.09 3nrz h VAL 930 N 0.33 0.97 -0.86 3.13 2.07 -0.97 -0.69 116.25 120.23 3nrz h VAL 930 Ca 0.01 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.51 3nrz h VAL 930 Cb 1.01 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 31.70 3nrz h VAL 930 CO 0.09 0.00 0.45 0.00 0.02 0.00 0.00 177.57 178.13 3nrz h ALA 931 N 0.99 1.10 -0.32 1.67 0.00 -1.33 -0.81 119.26 120.56 3nrz h ALA 931 Ca 0.01 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 3nrz h ALA 931 Cb 0.03 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3nrz h ALA 931 CO -0.02 0.63 -0.01 0.28 0.00 0.00 0.00 179.25 180.13 3nrz h VAL 932 N 1.21 1.26 -0.44 0.00 2.07 -1.31 -1.26 116.25 117.78 3nrz h VAL 932 Ca 0.30 -0.98 -0.08 0.00 0.82 0.00 0.00 66.70 66.76 3nrz h VAL 932 Cb 0.06 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 3nrz h VAL 932 CO -0.04 0.32 -0.07 0.74 0.02 0.00 0.00 177.57 178.54 3nrz h THR 933 N 0.36 1.25 0.00 2.57 2.02 -0.86 -2.10 112.91 116.15 3nrz h THR 933 Ca 0.09 -1.10 0.00 0.00 0.77 0.00 0.00 66.41 66.17 3nrz h THR 933 Cb 0.46 0.98 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 3nrz h THR 933 CO 0.02 0.38 0.00 0.00 0.37 0.00 0.00 175.52 176.29 3nrz n GLY 935 N 1.33 -0.32 3.45 0.00 0.00 -0.65 -5.01 105.19 103.98 3nrz n GLY 935 Ca 0.06 0.06 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 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 -6.07 2.52 0.30 0.99 1.43 -0.57 -5.04 118.68 112.23 3nrz s LEU 936 Ca 0.39 -0.80 -0.30 0.00 -1.03 0.00 0.00 54.13 52.39 3nrz s LEU 936 Cb -0.17 -1.27 -0.11 0.00 0.03 0.00 0.00 46.19 44.67 3nrz s LEU 936 CO 0.48 0.13 1.61 -2.84 0.23 0.00 0.00 176.35 175.96 3nrz s PRO 937 N -2.61 4.11 0.24 1.29 0.02 -1.26 -4.55 135.00 132.23 3nrz s PRO 937 Ca 0.21 2.61 -0.05 0.00 0.02 0.00 0.00 61.00 63.78 3nrz s PRO 937 Cb -0.08 -3.01 0.37 0.00 0.02 0.00 0.00 34.50 31.80 3nrz s PRO 937 CO 0.10 -0.66 1.79 0.00 -0.33 0.00 0.00 177.00 177.91 3nrz h ALA 938 N 4.82 1.09 -0.42 -1.55 0.00 -1.97 -2.08 119.26 119.14 3nrz h ALA 938 Ca -0.47 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 3nrz h ALA 938 Cb 1.22 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 3nrz h ALA 938 CO 0.79 0.02 0.07 0.93 0.00 0.00 0.00 179.25 181.06 3nrz h GLU 939 N 0.69 0.64 -0.32 0.00 3.07 -1.90 -1.01 114.58 115.75 3nrz h GLU 939 Ca 0.38 -0.13 -0.07 0.00 -0.50 0.00 0.00 59.36 59.05 3nrz h GLU 939 Cb 0.38 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.18 3nrz h GLU 939 CO -0.26 0.61 -0.06 1.49 -1.40 0.00 0.00 179.01 179.39 3nrz h GLU 940 N 0.62 0.61 -0.40 2.33 4.81 -1.77 -0.76 114.58 120.02 3nrz h GLU 940 Ca 0.14 -0.22 -0.07 0.00 -0.13 0.00 0.00 59.36 59.08 3nrz h GLU 940 Cb 0.29 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 3nrz h GLU 940 CO 0.00 0.78 -0.02 0.28 -0.73 0.00 0.00 179.01 179.32 3nrz h VAL 941 N 0.39 1.26 0.02 0.32 2.07 -1.18 -1.29 116.25 117.84 3nrz h VAL 941 Ca 0.08 -1.05 0.01 0.00 0.82 0.00 0.00 66.70 66.56 3nrz h VAL 941 Cb 0.54 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 3nrz h VAL 941 CO 0.03 0.35 -0.04 0.03 0.02 0.00 0.00 177.57 177.96 3nrz h ARG 942 N 0.54 -0.08 -0.39 1.57 3.08 -1.15 -2.83 114.38 115.13 3nrz h ARG 942 Ca 0.11 0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.20 3nrz h ARG 942 Cb 0.50 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.54 3nrz h ARG 942 CO 0.02 -0.05 0.18 2.35 -1.07 0.00 0.00 179.97 181.41 3nrz h TRP 943 N -0.08 0.34 -0.42 3.04 2.91 -1.04 -2.21 115.95 118.49 3nrz h TRP 943 Ca 0.01 0.02 0.08 0.00 1.13 0.00 0.00 58.89 60.13 3nrz h TRP 943 Cb 0.09 -0.09 -0.02 0.00 -0.51 0.00 0.00 29.16 28.63 3nrz h TRP 943 CO -0.11 0.17 0.29 0.87 -1.03 0.00 0.00 178.44 178.63 3nrz h LYS 944 N 0.38 0.22 -0.01 2.65 1.57 -1.17 -2.74 116.57 117.45 3nrz h LYS 944 Ca 0.17 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 3nrz h LYS 944 Cb 0.09 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.35 3nrz h LYS 944 CO -0.13 0.14 -0.44 0.09 -0.57 0.00 0.00 179.45 178.55 3nrz n ASN 945 N -4.46 1.90 -4.76 0.86 3.02 -0.88 -4.98 115.26 105.95 3nrz n ASN 945 Ca 0.06 -1.43 -0.39 0.00 -0.03 0.00 0.00 54.58 52.78 3nrz n ASN 945 Cb 0.33 0.42 0.01 0.00 -0.61 0.00 0.00 39.78 39.93 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 -2.47 3.75 0.97 3.52 1.75 -0.93 -0.48 119.30 125.41 3nrz s MET 946 Ca 0.20 2.20 -0.11 0.00 -1.25 0.00 0.00 55.69 56.73 3nrz s MET 946 Cb 0.18 -2.63 0.14 0.00 2.84 0.00 0.00 34.83 35.37 3nrz s MET 946 CO 0.56 -0.69 0.92 0.66 -0.65 0.00 0.00 175.02 175.83 3nrz n TYR 947 N -0.18 -0.01 -4.27 4.11 4.02 -0.20 -4.55 117.16 116.07 3nrz n TYR 947 Ca 0.05 0.28 -0.25 0.00 -0.01 0.00 0.00 57.90 57.98 3nrz n TYR 947 Cb 0.44 -1.90 -0.08 0.00 -0.02 0.00 0.00 39.34 37.78 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 -4.34 2.26 -0.26 -0.72 -0.14 -1.26 -4.96 119.74 110.32 3nrz s LYS 948 Ca 0.65 -1.31 -0.42 0.00 -1.36 0.00 0.00 55.97 53.52 3nrz s LYS 948 Cb -0.22 -2.21 -0.18 0.00 -1.68 0.00 0.00 37.83 33.54 3nrz s LYS 948 CO 0.61 0.40 1.50 -1.91 -0.76 0.00 0.00 175.35 175.20 3nrz n GLU 949 N -0.49 0.49 -0.41 1.68 4.07 -1.26 -1.39 120.64 123.32 3nrz n GLU 949 Ca -0.08 0.18 0.00 0.00 -0.06 0.00 0.00 57.16 57.19 3nrz n GLU 949 Cb 0.57 -1.75 0.00 0.00 -0.06 0.00 0.00 31.44 30.20 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 3.37 1.11 3.71 8.31 0.00 0.05 -5.02 105.19 116.72 3nrz n GLY 950 Ca 0.26 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.06 3.81 -0.05 1.61 1.01 -0.48 -4.56 116.67 114.95 3nrz s ASP 951 Ca 0.00 2.32 -0.13 0.00 0.71 0.00 0.00 52.55 55.45 3nrz s ASP 951 Cb 0.00 -2.58 -0.05 0.00 1.01 0.00 0.00 42.92 41.29 3nrz s ASP 951 CO 0.00 -2.52 0.35 -0.76 0.21 0.00 0.00 175.17 172.45 3nrz s LEU 952 N -5.58 4.42 1.18 1.23 1.43 -1.26 -0.49 118.68 119.61 3nrz s LEU 952 Ca 0.72 0.82 -0.19 0.00 -1.03 0.00 0.00 54.13 54.46 3nrz s LEU 952 Cb -0.28 -2.48 0.28 0.00 0.03 0.00 0.00 46.19 43.74 3nrz s LEU 952 CO 0.49 0.30 1.11 0.42 0.23 0.00 0.00 176.35 178.90 3nrz s THR 953 N -0.79 1.64 0.40 5.49 -4.23 -0.01 -4.83 115.64 113.32 3nrz s THR 953 Ca 0.21 0.00 0.34 0.00 -1.18 0.00 0.00 61.69 61.07 3nrz s THR 953 Cb -0.15 -2.49 0.37 0.00 1.34 0.00 0.00 72.50 71.56 3nrz s THR 953 CO 0.10 0.00 2.14 1.12 -0.54 0.00 0.00 174.62 177.44 3nrz h HIS 954 N -2.52 0.00 -0.53 3.99 2.07 -1.91 0.11 115.15 116.37 3nrz h HIS 954 Ca -0.46 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.06 3nrz h HIS 954 Cb 1.30 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.28 3nrz h HIS 954 CO -1.92 0.05 0.00 1.97 -3.07 0.00 0.00 177.93 174.96 3nrz n PHE 955 N -3.33 1.90 -2.03 6.12 1.16 -1.26 -4.65 117.46 115.37 3nrz n PHE 955 Ca -0.01 -0.66 -0.16 0.00 -1.87 0.00 0.00 57.45 54.75 3nrz n PHE 955 Cb 0.21 -0.47 -0.03 0.00 -1.61 0.00 0.00 39.48 37.58 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 0.59 -4.80 -4.77 5.98 3.02 0.40 -4.50 115.26 111.17 3nrz n ASN 956 Ca 0.25 0.12 -0.37 0.00 -0.03 0.00 0.00 54.58 54.55 3nrz n ASN 956 Cb 1.11 -3.85 -0.07 0.00 -0.61 0.00 0.00 39.78 36.36 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 -4.33 4.06 0.12 3.52 0.74 -1.26 -4.78 119.66 117.73 3nrz s GLN 957 Ca 0.00 0.07 -0.31 0.00 0.05 0.00 0.00 55.36 55.17 3nrz s GLN 957 Cb 0.00 -3.35 -0.07 0.00 1.10 0.00 0.00 33.01 30.68 3nrz s GLN 957 CO 0.00 0.40 1.28 0.50 -0.55 0.00 0.00 175.29 176.93 3nrz s ARG 958 N -0.03 4.40 -0.97 1.67 3.52 -1.26 -0.82 118.95 125.45 3nrz s ARG 958 Ca 0.16 1.94 -0.20 0.00 -0.13 0.00 0.00 55.73 57.51 3nrz s ARG 958 Cb -0.13 -3.27 0.11 0.00 -1.56 0.00 0.00 34.95 30.10 3nrz s ARG 958 CO 0.05 -0.29 1.25 -0.51 -0.81 0.00 0.00 175.30 174.98 3nrz s LEU 959 N 0.65 4.56 -0.22 -0.88 1.43 0.35 -4.96 118.68 119.61 3nrz s LEU 959 Ca 0.59 -1.91 -0.18 0.00 -1.03 0.00 0.00 54.13 51.60 3nrz s LEU 959 Cb -0.34 -2.45 -0.03 0.00 0.03 0.00 0.00 46.19 43.40 3nrz s LEU 959 CO 0.32 -1.19 0.52 -1.61 0.23 0.00 0.00 176.35 174.62 3nrz s GLU 960 N 3.36 4.15 -0.12 1.70 2.02 -1.26 -0.77 118.70 127.78 3nrz s GLU 960 Ca 0.37 0.38 -0.00 0.00 0.02 0.00 0.00 54.97 55.74 3nrz s GLU 960 Cb -0.03 -3.59 0.00 0.00 0.10 0.00 0.00 34.13 30.61 3nrz s GLU 960 CO -0.09 -0.21 0.11 0.41 0.02 0.00 0.00 175.26 175.49 3nrz n GLY 961 N 4.05 0.57 3.56 -1.39 0.00 -1.26 -4.91 105.19 105.81 3nrz n GLY 961 Ca -0.05 -0.50 -0.41 0.00 0.00 0.00 0.00 46.02 45.07 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 -3.03 2.18 -2.43 1.61 5.36 -1.26 -4.86 117.98 115.55 3nrz s PHE 962 Ca 0.03 0.36 0.22 0.00 -0.96 0.00 0.00 56.93 56.58 3nrz s PHE 962 Cb -0.01 -4.42 0.34 0.00 -0.34 0.00 0.00 43.02 38.59 3nrz s PHE 962 CO 0.07 -2.06 1.32 -1.13 -1.46 0.00 0.00 175.22 171.96 3nrz n SER 963 N 10.02 3.23 -0.19 6.13 3.41 -1.26 -4.43 113.62 130.53 3nrz n SER 963 Ca 0.11 -1.95 -0.01 0.00 -0.26 0.00 0.00 58.87 56.76 3nrz n SER 963 Cb 0.50 -0.17 0.09 0.00 -0.26 0.00 0.00 64.21 64.37 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 4.24 0.75 -0.76 -3.33 2.07 -1.94 -1.62 116.25 115.67 3nrz h VAL 964 Ca 0.00 -0.12 0.12 0.00 0.82 0.00 0.00 66.70 67.52 3nrz h VAL 964 Cb 0.94 0.37 -0.09 0.00 -1.52 0.00 0.00 31.29 31.00 3nrz h VAL 964 CO 0.00 0.06 0.35 -0.65 0.02 0.00 0.00 177.57 177.35 3nrz h PRO 965 N 0.35 0.53 0.01 1.57 0.11 -1.93 0.23 132.00 132.86 3nrz h PRO 965 Ca 0.29 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.37 3nrz h PRO 965 Cb 0.37 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.36 3nrz h PRO 965 CO -0.32 0.35 -0.00 0.00 -0.21 0.00 0.00 178.00 177.82 3nrz h ARG 966 N 0.55 -0.01 -0.76 1.05 3.08 -1.70 -2.01 114.38 114.58 3nrz h ARG 966 Ca 0.40 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.54 3nrz h ARG 966 Cb 0.53 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.51 3nrz h ARG 966 CO -0.34 0.16 0.41 0.00 -1.07 0.00 0.00 179.97 179.13 3nrz h TRP 968 N 0.69 -0.59 -0.54 0.00 2.91 -0.45 0.43 115.95 118.40 3nrz h TRP 968 Ca 0.37 -0.01 -0.10 0.00 1.13 0.00 0.00 58.89 60.28 3nrz h TRP 968 Cb 0.35 0.20 -0.02 0.00 -0.51 0.00 0.00 29.16 29.18 3nrz h TRP 968 CO -0.08 -0.35 -0.06 -0.44 -1.03 0.00 0.00 178.44 176.47 3nrz h ASP 969 N -0.59 0.97 -0.60 2.65 3.32 -1.26 0.54 116.42 121.46 3nrz h ASP 969 Ca -0.05 -0.30 -0.05 0.00 0.02 0.00 0.00 57.03 56.65 3nrz h ASP 969 Cb 0.47 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 3nrz h ASP 969 CO 0.07 1.06 0.17 -0.08 -1.72 0.00 0.00 179.24 178.74 3nrz h GLU 970 N 0.89 0.94 -0.32 3.56 4.81 -1.19 -2.11 114.58 121.15 3nrz h GLU 970 Ca 0.15 -0.21 -0.08 0.00 -0.13 0.00 0.00 59.36 59.09 3nrz h GLU 970 Cb 0.61 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 3nrz h GLU 970 CO 0.04 0.85 -0.10 0.00 -0.73 0.00 0.00 179.01 179.06 3nrz h LEU 972 N 0.41 0.52 0.12 0.00 3.38 -0.87 0.13 115.31 119.01 3nrz h LEU 972 Ca 0.08 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3nrz h LEU 972 Cb 0.61 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3nrz h LEU 972 CO 0.04 0.29 -0.06 0.50 0.09 0.00 0.00 178.44 179.30 3nrz h LYS 973 N 0.65 -0.15 0.00 1.13 3.64 -1.23 -2.49 116.57 118.12 3nrz h LYS 973 Ca 0.37 0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.64 3nrz h LYS 973 Cb 0.38 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 3nrz h LYS 973 CO -0.27 0.32 -0.57 0.66 -2.27 0.00 0.00 179.45 177.32 3nrz h SER 974 N -0.76 0.00 0.68 4.20 4.64 -0.96 -2.42 113.55 118.92 3nrz h SER 974 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3nrz h SER 974 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 3nrz h SER 974 CO 0.03 0.57 -0.19 -1.54 -0.87 0.00 0.00 176.83 174.83 3nrz n SER 975 N -3.83 0.27 -3.81 4.97 3.41 0.02 -4.95 113.62 109.72 3nrz n SER 975 Ca -0.01 -0.01 -0.24 0.00 -0.26 0.00 0.00 58.87 58.35 3nrz n SER 975 Cb 0.58 -0.15 0.02 0.00 -0.26 0.00 0.00 64.21 64.40 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 -1.37 -4.65 0.01 4.33 6.02 -0.91 -4.85 117.38 115.96 3nrz n GLN 976 Ca 0.08 0.56 -0.10 0.00 -0.01 0.00 0.00 57.00 57.54 3nrz n GLN 976 Cb 0.32 -5.10 -0.03 0.00 1.02 0.00 0.00 30.24 26.45 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 -1.89 -0.43 -0.69 1.08 3.20 -1.73 -1.23 116.97 115.28 3nrz h TYR 977 Ca -0.61 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.24 3nrz h TYR 977 Cb 1.37 0.20 -0.03 0.00 1.54 0.00 0.00 36.73 39.81 3nrz h TYR 977 CO 0.49 -0.24 0.26 1.88 -1.64 0.00 0.00 178.16 178.92 3nrz h TYR 978 N -0.22 1.05 -0.23 -3.82 -1.99 -1.91 0.22 116.97 110.07 3nrz h TYR 978 Ca 0.09 -0.08 -0.01 0.00 2.00 0.00 0.00 58.73 60.72 3nrz h TYR 978 Cb 0.34 -0.31 -0.01 0.00 2.00 0.00 0.00 36.73 38.75 3nrz h TYR 978 CO -0.26 0.82 0.12 0.00 -0.00 0.00 0.00 178.16 178.84 3nrz h ALA 979 N 1.12 0.30 0.00 3.88 0.00 -1.90 -2.61 119.26 120.05 3nrz h ALA 979 Ca 0.23 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 3nrz h ALA 979 Cb 0.22 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3nrz h ALA 979 CO -0.02 -0.15 -0.38 0.00 0.00 0.00 0.00 179.25 178.70 3nrz h ARG 980 N 0.25 0.00 -0.54 0.00 3.08 -0.86 -2.55 114.38 113.76 3nrz h ARG 980 Ca 0.08 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 3nrz h ARG 980 Cb 0.10 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 3nrz h ARG 980 CO -0.01 0.38 0.25 -0.22 -1.07 0.00 0.00 179.97 179.31 3nrz h LYS 981 N 0.00 0.77 -0.68 0.04 3.64 -0.38 -0.29 116.57 119.67 3nrz h LYS 981 Ca -0.00 -0.12 0.01 0.00 -1.27 0.00 0.00 60.65 59.27 3nrz h LYS 981 Cb 0.69 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.34 3nrz h LYS 981 CO 0.05 0.64 0.45 0.77 -2.27 0.00 0.00 179.45 179.09 3nrz h SER 982 N 0.72 0.78 -0.04 4.20 0.02 -1.15 -2.25 113.55 115.84 3nrz h SER 982 Ca 0.18 -0.02 -0.15 0.00 -0.84 0.00 0.00 61.79 60.96 3nrz h SER 982 Cb 0.13 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 3nrz h SER 982 CO -0.02 0.57 -0.49 -0.33 -1.14 0.00 0.00 176.83 175.41 3nrz h GLU 983 N 0.92 0.60 -0.51 3.45 5.08 -1.02 -1.63 114.58 121.47 3nrz h GLU 983 Ca 0.25 -0.35 -0.04 0.00 -1.00 0.00 0.00 59.36 58.22 3nrz h GLU 983 Cb -0.10 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 3nrz h GLU 983 CO -0.05 0.95 0.15 0.28 -1.00 0.00 0.00 179.01 179.34 3nrz h VAL 984 N 0.47 1.23 -0.31 3.13 2.07 -0.88 -0.67 116.25 121.30 3nrz h VAL 984 Ca 0.02 -0.80 -0.01 0.00 0.82 0.00 0.00 66.70 66.73 3nrz h VAL 984 Cb 1.03 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 3nrz h VAL 984 CO 0.10 0.29 0.14 0.44 0.02 0.00 0.00 177.57 178.55 3nrz h ASP 985 N 0.69 0.41 -0.78 0.57 3.32 -1.32 -0.98 116.42 118.34 3nrz h ASP 985 Ca 0.16 -0.14 0.06 0.00 0.02 0.00 0.00 57.03 57.13 3nrz h ASP 985 Cb 0.29 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 39.68 3nrz h ASP 985 CO -0.00 0.44 0.47 0.50 -1.72 0.00 0.00 179.24 178.93 3nrz h LYS 986 N 0.36 0.83 -0.56 3.56 3.64 -1.19 -0.93 116.57 122.28 3nrz h LYS 986 Ca 0.10 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3nrz h LYS 986 Cb 0.15 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 3nrz h LYS 986 CO -0.01 0.55 0.35 0.35 -2.27 0.00 0.00 179.45 178.42 3nrz h PHE 987 N 0.86 0.72 -0.06 1.91 3.57 -0.80 -2.53 116.94 120.61 3nrz h PHE 987 Ca 0.34 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.75 3nrz h PHE 987 Cb 0.17 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 3nrz h PHE 987 CO -0.05 0.48 -0.41 -0.91 -2.23 0.00 0.00 178.31 175.19 3nrz h ASN 988 N 0.75 0.13 -0.32 0.41 2.35 -0.58 -1.11 115.58 117.20 3nrz h ASN 988 Ca 0.20 -0.05 -0.08 0.00 -0.55 0.00 0.00 56.30 55.82 3nrz h ASN 988 Cb -0.05 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 3nrz h ASN 988 CO -0.04 0.53 -0.07 0.11 -1.65 0.00 0.00 177.43 176.31 3nrz h LYS 989 N 0.10 0.72 -0.00 0.81 1.57 -1.01 -3.26 116.57 115.50 3nrz h LYS 989 Ca 0.01 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 3nrz h LYS 989 Cb 0.77 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.01 3nrz h LYS 989 CO 0.06 0.78 -0.73 0.39 -0.57 0.00 0.00 179.45 179.38 3nrz n GLU 990 N -4.19 0.03 -5.15 3.15 1.02 -0.95 -4.91 120.64 109.63 3nrz n GLU 990 Ca 0.02 -0.02 -0.30 0.00 -0.02 0.00 0.00 57.16 56.84 3nrz n GLU 990 Cb 0.33 -1.50 -0.16 0.00 -0.02 0.00 0.00 31.44 30.09 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 -2.99 2.84 -0.23 1.62 0.01 -0.46 -5.04 114.94 110.69 3nrz s ASN 991 Ca 0.10 -0.48 -0.08 0.00 -0.71 0.00 0.00 52.86 51.70 3nrz s ASN 991 Cb 0.17 -0.83 -0.18 0.00 0.41 0.00 0.00 41.25 40.82 3nrz s ASN 991 CO 0.77 0.21 -0.06 0.00 -1.51 0.00 0.00 177.10 176.52 3nrz n TRP 993 N -3.75 0.09 -4.29 0.00 7.02 -1.26 -4.91 117.44 110.34 3nrz n TRP 993 Ca -0.43 -0.10 -0.19 0.00 -1.02 0.00 0.00 57.50 55.75 3nrz n TRP 993 Cb 0.93 -0.01 -0.13 0.00 -2.42 0.00 0.00 31.31 29.68 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 -0.92 0.88 0.02 -0.99 1.02 -1.26 -0.89 119.74 117.59 3nrz s LYS 994 Ca 0.15 -0.79 -0.06 0.00 0.02 0.00 0.00 55.97 55.29 3nrz s LYS 994 Cb 0.10 -0.87 -0.01 0.00 -0.52 0.00 0.00 37.83 36.52 3nrz s LYS 994 CO 0.14 0.21 0.10 0.15 -0.92 0.00 0.00 175.35 175.03 3nrz s LYS 995 N -1.27 0.50 0.20 1.68 -0.14 -1.01 -4.68 119.74 115.02 3nrz s LYS 995 Ca 0.00 -0.58 0.08 0.00 -1.36 0.00 0.00 55.97 54.11 3nrz s LYS 995 Cb -0.08 0.20 -0.04 0.00 -1.68 0.00 0.00 37.83 36.23 3nrz s LYS 995 CO 0.01 -0.12 0.02 1.03 -0.76 0.00 0.00 175.35 175.53 3nrz s ARG 996 N -1.90 2.43 0.03 1.68 0.52 -1.26 -0.38 118.95 120.07 3nrz s ARG 996 Ca -0.11 -1.17 -0.04 0.00 -0.52 0.00 0.00 55.73 53.89 3nrz s ARG 996 Cb -0.05 -2.33 -0.02 0.00 0.52 0.00 0.00 34.95 33.07 3nrz s ARG 996 CO -0.01 0.43 0.06 0.20 0.02 0.00 0.00 175.30 175.99 3nrz s GLY 997 N -3.20 0.22 -0.12 -3.53 0.00 -0.83 -4.07 107.32 95.79 3nrz s GLY 997 Ca 0.29 -0.63 -0.08 0.00 0.00 0.00 0.00 44.72 44.29 3nrz s GLY 997 CO 0.19 -0.75 0.31 -2.27 0.00 0.00 0.00 173.10 170.58 3nrz s LEU 998 N -2.09 0.49 -0.03 0.66 2.96 -1.26 -1.38 118.68 118.03 3nrz s LEU 998 Ca -0.06 0.64 -0.12 0.00 -0.22 0.00 0.00 54.13 54.38 3nrz s LEU 998 Cb -0.02 1.01 0.02 0.00 0.50 0.00 0.00 46.19 47.70 3nrz s LEU 998 CO -0.04 -0.15 0.27 0.00 -1.32 0.00 0.00 176.35 175.11 3nrz s ILE 1000N -1.04 1.63 -0.02 0.00 2.07 -1.26 -1.05 121.20 121.52 3nrz s ILE 1000Ca -0.11 -0.74 0.03 0.00 -1.41 0.00 0.00 60.65 58.42 3nrz s ILE 1000Cb -0.05 -1.46 -0.00 0.00 0.13 0.00 0.00 42.46 41.08 3nrz s ILE 1000CO 0.03 0.47 -0.11 -0.63 -1.91 0.00 0.00 174.94 172.79 3nrz s ILE 1001N 0.74 0.88 0.44 2.00 -1.09 -0.25 -4.89 121.20 119.03 3nrz s ILE 1001Ca -0.11 -0.43 0.03 0.00 -2.23 0.00 0.00 60.65 57.90 3nrz s ILE 1001Cb -0.16 -0.77 0.01 0.00 -1.58 0.00 0.00 42.46 39.96 3nrz s ILE 1001CO 0.02 0.26 0.63 -2.16 -1.23 0.00 0.00 174.94 172.46 3nrz s PRO 1002N 0.04 2.92 -0.04 2.79 0.04 -1.26 -0.90 135.00 138.58 3nrz s PRO 1002Ca -0.01 -0.80 -0.17 0.00 0.04 0.00 0.00 61.00 60.06 3nrz s PRO 1002Cb -0.08 -2.64 0.03 0.00 0.04 0.00 0.00 34.50 31.86 3nrz s PRO 1002CO 0.00 -0.29 0.38 -0.08 0.04 0.00 0.00 177.00 177.06 3nrz s THR 1003N -2.48 0.04 0.01 1.26 -1.32 0.39 -4.86 115.64 108.68 3nrz s THR 1003Ca 0.51 -0.32 0.03 0.00 -1.21 0.00 0.00 61.69 60.69 3nrz s THR 1003Cb -0.10 -0.67 -0.01 0.00 -1.51 0.00 0.00 72.50 70.21 3nrz s THR 1003CO 0.36 -0.18 -0.09 -1.59 -2.21 0.00 0.00 174.62 170.91 3nrz s LYS 1004N -1.04 0.69 -0.06 7.08 -2.85 -1.26 -1.91 119.74 120.40 3nrz s LYS 1004Ca -0.11 -0.45 -0.01 0.00 -1.00 0.00 0.00 55.97 54.40 3nrz s LYS 1004Cb -0.04 -0.64 0.03 0.00 -2.06 0.00 0.00 37.83 35.11 3nrz s LYS 1004CO 0.04 0.17 0.02 0.12 0.10 0.00 0.00 175.35 175.80 3nrz s PHE 1005N -0.50 0.43 0.15 1.78 5.36 -0.20 -4.96 117.98 120.05 3nrz s PHE 1005Ca 0.01 -0.01 -0.31 0.00 -0.96 0.00 0.00 56.93 55.67 3nrz s PHE 1005Cb -0.05 -0.64 -0.08 0.00 -0.34 0.00 0.00 43.02 41.90 3nrz s PHE 1005CO 0.00 -0.25 1.34 0.20 -1.46 0.00 0.00 175.22 175.04 3nrz s GLY 1006N 1.89 2.25 -0.30 13.12 0.00 -1.26 -1.37 107.32 121.65 3nrz s GLY 1006Ca 0.03 1.10 -0.09 0.00 0.00 0.00 0.00 44.72 45.75 3nrz s GLY 1006CO -0.04 2.18 0.14 -0.42 0.00 0.00 0.00 173.10 174.97 3nrz s ILE 1007N 0.59 4.60 0.00 0.90 -1.09 0.29 -4.96 121.20 121.53 3nrz s ILE 1007Ca 0.60 -0.34 0.00 0.00 -2.23 0.00 0.00 60.65 58.68 3nrz s ILE 1007Cb -0.36 -3.31 0.00 0.00 -1.58 0.00 0.00 42.46 37.21 3nrz s ILE 1007CO 0.34 0.12 0.00 -1.20 -1.23 0.00 0.00 174.94 172.97 3nrz n SER 1008N 4.98 0.00 -4.74 3.58 7.64 -1.26 -0.72 113.62 123.09 3nrz n SER 1008Ca -0.14 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.32 3nrz n SER 1008Cb 0.50 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.68 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 2.90 0.61 1.43 0.40 -1.26 -4.89 117.98 115.16 3nrz s PHE 1009Ca 0.00 0.85 0.36 0.00 -0.60 0.00 0.00 56.93 57.54 3nrz s PHE 1009Cb 0.00 -3.95 2.06 0.00 0.51 0.00 0.00 43.02 41.64 3nrz s PHE 1009CO 0.00 -3.22 2.30 1.79 0.70 0.00 0.00 175.22 176.79 3nrz h THR 1010N 3.53 0.30 -3.43 0.64 1.35 -1.94 -3.37 112.91 109.98 3nrz h THR 1010Ca -0.46 -0.04 -0.66 0.00 -0.55 0.00 0.00 66.41 64.70 3nrz h THR 1010Cb 1.22 1.03 -0.16 0.00 -1.73 0.00 0.00 68.15 68.50 3nrz h THR 1010CO 0.80 0.01 0.13 -0.69 -0.25 0.00 0.00 175.52 175.52 3nrz s VAL 1011N -4.39 4.81 0.30 6.82 1.01 -1.26 -4.97 120.40 122.72 3nrz s VAL 1011Ca -0.05 -0.10 0.03 0.00 0.00 0.00 0.00 61.98 61.86 3nrz s VAL 1011Cb 0.14 -4.26 0.29 0.00 0.00 0.00 0.00 36.38 32.55 3nrz s VAL 1011CO 0.49 -0.71 1.84 -0.65 0.00 0.00 0.00 175.10 176.07 3nrz h PRO 1012N 8.96 0.90 0.00 2.72 0.11 -1.97 -2.20 132.00 140.52 3nrz h PRO 1012Ca -0.26 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.79 3nrz h PRO 1012Cb 1.09 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.00 3nrz h PRO 1012CO 0.93 0.60 0.00 0.27 -0.21 0.00 0.00 178.00 179.59 3nrz h PHE 1013N 0.93 0.00 0.00 0.65 -5.15 -1.93 -1.89 116.94 109.54 3nrz h PHE 1013Ca 0.49 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.26 3nrz h PHE 1013Cb 0.55 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.72 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 -2.82 0.73 -3.54 2.10 4.77 -0.83 -4.28 117.00 113.12 3nrz n LEU 1014Ca -0.01 0.60 -0.41 0.00 -0.03 0.00 0.00 56.01 56.17 3nrz n LEU 1014Cb 0.17 -0.42 -0.01 0.00 -2.33 0.00 0.00 43.42 40.83 3nrz n LEU 1014CO 0.21 -0.31 2.93 0.59 -1.33 0.00 0.00 177.39 179.48 3nrz n ASN 1015N -2.22 6.33 -3.79 -1.43 3.02 -0.71 -4.74 115.26 111.71 3nrz n ASN 1015Ca 0.04 -2.76 -0.13 0.00 -0.03 0.00 0.00 54.58 51.70 3nrz n ASN 1015Cb 0.35 -1.58 -0.09 0.00 -0.61 0.00 0.00 39.78 37.85 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 2.27 0.57 -0.11 3.52 -2.07 -1.26 -2.17 119.66 120.41 3nrz s GLN 1016Ca 0.57 -0.18 -0.13 0.00 -1.82 0.00 0.00 55.36 53.79 3nrz s GLN 1016Cb 0.16 0.25 0.03 0.00 -1.09 0.00 0.00 33.01 32.36 3nrz s GLN 1016CO -0.07 -0.15 0.36 0.00 -1.32 0.00 0.00 175.29 174.11 3nrz s ALA 1017N -1.17 -0.89 0.17 2.60 0.00 -0.02 -4.54 121.76 117.91 3nrz s ALA 1017Ca -0.12 0.90 0.10 0.00 0.00 0.00 0.00 51.96 52.84 3nrz s ALA 1017Cb -0.06 -0.46 -0.04 0.00 0.00 0.00 0.00 23.12 22.56 3nrz s ALA 1017CO 0.03 -0.19 -0.22 0.20 0.00 0.00 0.00 175.76 175.58 3nrz s GLY 1018N -0.11 1.56 0.06 0.00 0.00 -1.26 -0.83 107.32 106.74 3nrz s GLY 1018Ca -0.03 -1.54 -0.02 0.00 0.00 0.00 0.00 44.72 43.14 3nrz s GLY 1018CO 0.01 -1.57 -0.00 0.00 0.00 0.00 0.00 173.10 171.54 3nrz s ALA 1019N -1.68 0.50 -0.03 3.20 0.00 0.11 -2.03 121.76 121.83 3nrz s ALA 1019Ca 0.17 -1.20 -0.01 0.00 0.00 0.00 0.00 51.96 50.92 3nrz s ALA 1019Cb -0.08 0.36 0.03 0.00 0.00 0.00 0.00 23.12 23.44 3nrz s ALA 1019CO 0.08 -0.40 0.05 -1.17 0.00 0.00 0.00 175.76 174.33 3nrz s LEU 1020N -2.93 0.58 -0.07 0.00 2.96 -0.08 -1.09 118.68 118.05 3nrz s LEU 1020Ca 0.09 0.08 0.04 0.00 -0.22 0.00 0.00 54.13 54.12 3nrz s LEU 1020Cb 0.08 -0.08 -0.00 0.00 0.50 0.00 0.00 46.19 46.68 3nrz s LEU 1020CO -0.09 -0.19 -0.20 -0.63 -1.32 0.00 0.00 176.35 173.92 3nrz s ILE 1021N 1.65 1.69 -0.02 6.68 -1.09 0.07 -0.81 121.20 129.37 3nrz s ILE 1021Ca -0.02 -0.84 0.07 0.00 -2.23 0.00 0.00 60.65 57.63 3nrz s ILE 1021Cb -0.12 -1.46 -0.02 0.00 -1.58 0.00 0.00 42.46 39.27 3nrz s ILE 1021CO -0.03 0.48 -0.23 -1.00 -1.23 0.00 0.00 174.94 172.93 3nrz s HIS 1022N 0.19 2.44 -0.22 3.97 3.76 -0.38 -1.60 115.29 123.46 3nrz s HIS 1022Ca -0.10 -0.36 -0.03 0.00 -0.15 0.00 0.00 55.06 54.42 3nrz s HIS 1022Cb -0.15 -1.52 -0.01 0.00 1.11 0.00 0.00 32.58 32.02 3nrz s HIS 1022CO 0.05 0.05 -0.06 0.08 -0.85 0.00 0.00 174.74 174.01 3nrz s VAL 1023N -0.67 3.25 0.63 -0.90 1.01 0.31 -0.91 120.40 123.12 3nrz s VAL 1023Ca 0.11 -0.54 -0.07 0.00 0.00 0.00 0.00 61.98 61.47 3nrz s VAL 1023Cb -0.10 -2.47 0.02 0.00 0.00 0.00 0.00 36.38 33.82 3nrz s VAL 1023CO -0.00 0.43 0.96 -0.31 0.00 0.00 0.00 175.10 176.18 3nrz s TYR 1024N 1.46 3.21 -1.26 5.22 1.51 0.13 -4.80 117.35 122.82 3nrz s TYR 1024Ca 0.06 0.69 0.22 0.00 -1.01 0.00 0.00 57.07 57.03 3nrz s TYR 1024Cb -0.14 -2.88 1.04 0.00 -0.11 0.00 0.00 41.96 39.86 3nrz s TYR 1024CO -0.04 -0.99 1.70 0.25 -1.11 0.00 0.00 175.55 175.36 3nrz n THR 1025N -2.73 0.40 1.45 -0.71 -2.24 -1.26 -0.72 114.28 108.46 3nrz n THR 1025Ca 0.06 0.10 0.11 0.00 -2.27 0.00 0.00 64.05 62.05 3nrz n THR 1025Cb 0.58 -0.73 0.46 0.00 -2.10 0.00 0.00 70.33 68.53 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 -1.37 1.26 0.00 3.42 3.85 -1.26 -4.57 116.55 117.88 3nrz n ASP 1026Ca 0.08 -1.59 0.00 0.00 -0.71 0.00 0.00 54.79 52.58 3nrz n ASP 1026Cb 0.20 -0.06 0.00 0.00 -1.35 0.00 0.00 41.12 39.91 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 1.92 3.77 6.12 0.00 0.10 -4.87 105.19 113.31 3nrz n GLY 1027Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.33 6.34 -0.07 1.61 1.04 -1.25 -4.75 113.70 113.28 3nrz s SER 1028Ca 0.00 2.23 0.05 0.00 0.48 0.00 0.00 55.95 58.71 3nrz s SER 1028Cb 0.00 -2.60 -0.01 0.00 0.10 0.00 0.00 66.02 63.51 3nrz s SER 1028CO 0.00 -0.80 -0.24 -0.69 0.98 0.00 0.00 173.24 172.50 3nrz s VAL 1029N -1.58 2.15 -0.17 5.02 1.01 0.11 -0.69 120.40 126.25 3nrz s VAL 1029Ca 0.62 -1.02 -0.01 0.00 0.00 0.00 0.00 61.98 61.57 3nrz s VAL 1029Cb -0.27 -1.80 -0.00 0.00 0.00 0.00 0.00 36.38 34.31 3nrz s VAL 1029CO 0.33 0.57 -0.13 -0.22 0.00 0.00 0.00 175.10 175.65 3nrz s LEU 1030N -0.03 2.60 -0.11 3.92 2.96 -0.09 -1.17 118.68 126.76 3nrz s LEU 1030Ca -0.07 -0.43 -0.02 0.00 -0.22 0.00 0.00 54.13 53.39 3nrz s LEU 1030Cb -0.15 -1.61 -0.03 0.00 0.50 0.00 0.00 46.19 44.90 3nrz s LEU 1030CO 0.05 0.08 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.42 3nrz s VAL 1031N 0.88 3.84 0.00 1.68 1.01 -0.10 -1.24 120.40 126.47 3nrz s VAL 1031Ca -0.03 -0.40 0.05 0.00 0.00 0.00 0.00 61.98 61.60 3nrz s VAL 1031Cb -0.15 -2.63 -0.02 0.00 0.00 0.00 0.00 36.38 33.59 3nrz s VAL 1031CO -0.00 0.55 -0.17 -0.55 0.00 0.00 0.00 175.10 174.92 3nrz s SER 1032N -0.21 1.97 0.22 3.32 0.15 0.01 -4.36 113.70 114.81 3nrz s SER 1032Ca 0.03 -0.35 -0.02 0.00 0.70 0.00 0.00 55.95 56.32 3nrz s SER 1032Cb -0.13 -0.20 -0.03 0.00 -1.71 0.00 0.00 66.02 63.95 3nrz s SER 1032CO 0.02 0.18 0.20 -1.38 1.20 0.00 0.00 173.24 173.46 3nrz s HIS 1033N -0.50 1.10 -0.30 3.44 -3.43 -1.26 -0.90 115.29 113.43 3nrz s HIS 1033Ca 0.06 -1.31 0.27 0.00 -0.80 0.00 0.00 55.06 53.28 3nrz s HIS 1033Cb -0.07 -0.45 1.09 0.00 -1.43 0.00 0.00 32.58 31.72 3nrz s HIS 1033CO -0.00 -0.73 1.80 0.78 -2.00 0.00 0.00 174.74 174.59 3nrz h GLY 1034N 2.51 0.00 -2.06 -1.38 0.00 -1.75 -3.44 103.07 96.95 3nrz h GLY 1034Ca -0.33 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 46.55 3nrz h GLY 1034CO 0.49 0.00 0.35 -0.32 0.00 0.00 0.00 176.54 177.06 3nrz s GLY 1035N -3.76 2.42 0.03 4.60 0.00 -1.26 -4.86 107.32 104.48 3nrz s GLY 1035Ca 0.04 0.45 0.04 0.00 0.00 0.00 0.00 44.72 45.24 3nrz s GLY 1035CO 0.45 0.74 -0.07 -0.51 0.00 0.00 0.00 173.10 173.71 3nrz s THR 1036N -2.13 3.62 -0.22 0.90 -4.23 -1.26 -4.70 115.64 107.62 3nrz s THR 1036Ca 0.63 -0.87 -0.21 0.00 -1.18 0.00 0.00 61.69 60.06 3nrz s THR 1036Cb -0.11 -2.60 -0.02 0.00 1.34 0.00 0.00 72.50 71.11 3nrz s THR 1036CO 0.15 0.33 0.64 -0.70 -0.54 0.00 0.00 174.62 174.50 3nrz s GLU 1037N -1.60 4.17 -0.05 3.99 2.56 -1.26 -4.90 118.70 121.61 3nrz s GLU 1037Ca 0.18 0.62 0.07 0.00 0.00 0.00 0.00 54.97 55.84 3nrz s GLU 1037Cb -0.11 -3.61 0.10 0.00 2.00 0.00 0.00 34.13 32.51 3nrz s GLU 1037CO 0.09 -0.32 0.97 0.00 -0.56 0.00 0.00 175.26 175.44 3nrz n MET 1038N 5.34 1.36 0.00 4.30 0.00 -1.26 -1.03 117.12 125.83 3nrz n MET 1038Ca -0.01 -1.62 0.00 0.00 0.00 0.00 0.00 57.70 56.07 3nrz n MET 1038Cb 0.49 -1.00 0.00 0.00 0.00 0.00 0.00 33.22 32.71 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 -0.65 1.22 0.00 3.17 0.00 -1.26 -3.08 105.19 104.58 3nrz n GLY 1039Ca 0.06 0.00 0.13 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 -0.74 0.27 -1.35 1.61 0.00 -1.26 -4.90 117.38 111.00 3nrz n GLN 1040Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 57.00 57.03 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 1.11 0.52 0.05 2.61 0.00 -1.26 -4.97 105.19 103.26 3nrz n GLY 1041Ca 0.11 -0.86 -0.12 0.00 0.00 0.00 0.00 46.02 45.15 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 0.05 -0.70 0.99 5.85 -1.90 -1.33 115.31 118.26 3nrz h LEU 1042Ca 0.00 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 3nrz h LEU 1042Cb 0.48 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 3nrz h LEU 1042CO 0.00 0.06 0.44 0.45 -0.34 0.00 0.00 178.44 179.05 3nrz h HIS 1043N 0.03 0.91 -0.02 1.25 3.86 -1.93 -0.55 115.15 118.69 3nrz h HIS 1043Ca 0.01 0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.26 3nrz h HIS 1043Cb 0.02 -0.30 -0.05 0.00 1.06 0.00 0.00 27.41 28.14 3nrz h HIS 1043CO -0.07 0.60 -0.32 1.15 0.86 0.00 0.00 177.93 180.15 3nrz h THR 1044N 0.95 0.29 -0.93 2.45 2.02 -1.92 -0.96 112.91 114.82 3nrz h THR 1044Ca 0.25 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.53 3nrz h THR 1044Cb -0.06 0.29 -0.07 0.00 -1.74 0.00 0.00 68.15 66.58 3nrz h THR 1044CO -0.05 0.00 0.60 0.11 0.37 0.00 0.00 175.52 176.55 3nrz h LYS 1045N -0.46 0.92 -0.29 6.66 1.57 -0.83 -1.35 116.57 122.79 3nrz h LYS 1045Ca 0.07 -0.06 -0.13 0.00 -1.87 0.00 0.00 60.65 58.66 3nrz h LYS 1045Cb 0.56 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 3nrz h LYS 1045CO -0.28 0.61 -0.37 0.52 -0.57 0.00 0.00 179.45 179.36 3nrz h MET 1046N 0.94 0.65 -0.57 3.15 2.86 -0.66 -0.64 114.93 120.66 3nrz h MET 1046Ca 0.43 -0.32 -0.07 0.00 -2.06 0.00 0.00 59.70 57.68 3nrz h MET 1046Cb 0.39 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.03 3nrz h MET 1046CO -0.19 0.91 0.08 0.28 1.06 0.00 0.00 176.91 179.05 3nrz h VAL 1047N 0.54 1.26 -0.42 -2.22 2.07 -0.66 0.07 116.25 116.88 3nrz h VAL 1047Ca 0.05 -1.00 -0.01 0.00 0.82 0.00 0.00 66.70 66.57 3nrz h VAL 1047Cb 0.88 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 3nrz h VAL 1047CO 0.08 0.37 0.24 1.56 0.02 0.00 0.00 177.57 179.83 3nrz h GLN 1048N 0.85 0.59 0.13 1.57 4.20 -0.93 -0.99 115.11 120.52 3nrz h GLN 1048Ca 0.17 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.81 3nrz h GLN 1048Cb 0.44 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.10 3nrz h GLN 1048CO 0.01 0.46 -0.06 0.28 -0.67 0.00 0.00 178.83 178.85 3nrz h VAL 1049N 0.56 0.92 -0.36 -0.54 2.07 -1.02 -1.99 116.25 115.89 3nrz h VAL 1049Ca 0.15 -0.16 0.04 0.00 0.82 0.00 0.00 66.70 67.56 3nrz h VAL 1049Cb 0.03 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 3nrz h VAL 1049CO -0.03 0.04 0.12 0.00 0.02 0.00 0.00 177.57 177.72 3nrz h ALA 1050N 0.63 0.42 -0.58 1.67 0.00 -0.89 0.23 119.26 120.74 3nrz h ALA 1050Ca -0.02 0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.98 3nrz h ALA 1050Cb 0.19 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 3nrz h ALA 1050CO 0.03 -0.27 0.32 1.03 0.00 0.00 0.00 179.25 180.36 3nrz h SER 1051N 0.27 0.49 -0.17 0.00 0.87 -1.14 0.64 113.55 114.50 3nrz h SER 1051Ca 0.17 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.72 3nrz h SER 1051Cb 0.15 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 3nrz h SER 1051CO -0.17 0.33 -0.01 0.50 -0.53 0.00 0.00 176.83 176.94 3nrz h LYS 1052N 0.62 0.31 -0.49 2.24 3.64 -1.05 -0.68 116.57 121.14 3nrz h LYS 1052Ca 0.25 -0.11 0.02 0.00 -1.27 0.00 0.00 60.65 59.54 3nrz h LYS 1052Cb 0.11 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.88 3nrz h LYS 1052CO -0.15 0.54 0.30 0.00 -2.27 0.00 0.00 179.45 177.88 3nrz h ALA 1053N 0.75 0.63 0.00 5.00 0.00 -0.73 -2.87 119.26 122.05 3nrz h ALA 1053Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3nrz h ALA 1053Cb 0.41 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3nrz h ALA 1053CO 0.01 0.01 -0.42 1.28 0.00 0.00 0.00 179.25 180.13 3nrz n LEU 1054N -4.80 0.45 -3.55 0.00 4.77 0.20 -4.94 117.00 109.14 3nrz n LEU 1054Ca 0.03 0.15 -0.21 0.00 -0.03 0.00 0.00 56.01 55.96 3nrz n LEU 1054Cb 0.06 -0.29 0.08 0.00 -2.33 0.00 0.00 43.42 40.94 3nrz n LEU 1054CO 0.33 0.06 0.14 0.29 -1.33 0.00 0.00 177.39 176.87 3nrz n LYS 1055N -1.64 -6.84 -4.27 3.23 5.02 -0.32 -5.04 118.16 108.29 3nrz n LYS 1055Ca 0.05 0.80 -0.16 0.00 -2.02 0.00 0.00 58.31 56.98 3nrz n LYS 1055Cb 0.36 -5.78 -0.10 0.00 -0.02 0.00 0.00 35.03 29.49 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 -3.38 1.38 0.63 -0.18 -4.36 -0.83 -5.05 121.20 109.41 3nrz s ILE 1056Ca 0.24 -2.01 -0.18 0.00 -0.26 0.00 0.00 60.65 58.44 3nrz s ILE 1056Cb -0.11 -1.82 -0.02 0.00 1.25 0.00 0.00 42.46 41.77 3nrz s ILE 1056CO 0.75 -0.61 1.25 -2.84 0.24 0.00 0.00 174.94 173.73 3nrz s PRO 1057N -3.42 2.71 0.58 0.37 0.02 -1.26 -4.54 135.00 129.47 3nrz s PRO 1057Ca 0.16 1.95 0.28 0.00 0.02 0.00 0.00 61.00 63.41 3nrz s PRO 1057Cb -0.00 -1.88 1.70 0.00 0.02 0.00 0.00 34.50 34.33 3nrz s PRO 1057CO 0.03 -1.44 2.18 -0.84 -0.33 0.00 0.00 177.00 176.59 3nrz h ILE 1058N 0.64 0.54 0.00 2.83 3.07 -1.92 -1.71 117.51 120.97 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 1.32 0.92 0.00 0.00 -0.27 0.00 0.00 36.82 38.79 3nrz h ILE 1058CO 0.54 0.00 0.00 0.77 -1.05 0.00 0.00 178.15 178.41 3nrz h SER 1059N 0.00 0.00 0.41 2.16 4.64 -1.98 -1.54 113.55 117.24 3nrz h SER 1059Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3nrz h SER 1059Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 3nrz h SER 1059CO -0.00 0.00 -0.39 0.29 -0.87 0.00 0.00 176.83 175.86 3nrz n LYS 1060N -2.37 0.32 -4.80 4.77 5.02 -0.64 -4.91 118.16 115.55 3nrz n LYS 1060Ca -0.00 -0.18 -0.33 0.00 -2.02 0.00 0.00 58.31 55.77 3nrz n LYS 1060Cb 0.11 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.50 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 -2.80 3.21 0.01 -0.18 1.01 -0.58 -0.71 121.20 121.15 3nrz s ILE 1061Ca 0.16 -0.71 -0.00 0.00 0.00 0.00 0.00 60.65 60.10 3nrz s ILE 1061Cb 0.18 -2.28 -0.01 0.00 0.01 0.00 0.00 42.46 40.36 3nrz s ILE 1061CO 0.63 0.56 -0.01 -0.47 0.00 0.00 0.00 174.94 175.65 3nrz s TYR 1062N -0.78 0.09 -0.12 3.97 5.04 -0.32 -4.96 117.35 120.28 3nrz s TYR 1062Ca 0.12 -0.19 0.02 0.00 -2.44 0.00 0.00 57.07 54.58 3nrz s TYR 1062Cb -0.11 -0.07 0.01 0.00 0.35 0.00 0.00 41.96 42.15 3nrz s TYR 1062CO 0.01 -0.07 -0.18 0.42 -1.34 0.00 0.00 175.55 174.39 3nrz s ILE 1063N -0.55 1.73 -0.24 3.14 1.01 -1.26 -0.92 121.20 124.11 3nrz s ILE 1063Ca -0.06 -0.79 -0.18 0.00 0.00 0.00 0.00 60.65 59.63 3nrz s ILE 1063Cb -0.04 -1.56 -0.15 0.00 0.01 0.00 0.00 42.46 40.72 3nrz s ILE 1063CO -0.00 0.49 -0.09 -0.24 0.00 0.00 0.00 174.94 175.10 3nrz n SER 1064N 4.12 1.91 -3.60 3.58 2.88 -1.26 -5.05 113.62 116.20 3nrz n SER 1064Ca -0.19 0.38 -0.02 0.00 -1.33 0.00 0.00 58.87 57.70 3nrz n SER 1064Cb 0.51 -0.89 -0.00 0.00 -0.75 0.00 0.00 64.21 63.08 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 -2.44 1.09 -0.17 -1.46 -1.05 -1.26 -4.82 118.70 108.58 3nrz s GLU 1065Ca -0.34 -0.64 -0.08 0.00 -0.15 0.00 0.00 54.97 53.76 3nrz s GLU 1065Cb 0.11 0.34 -0.04 0.00 -0.44 0.00 0.00 34.13 34.09 3nrz s GLU 1065CO 0.54 -0.50 0.09 0.99 0.95 0.00 0.00 175.26 177.32 3nrz s THR 1066N -2.73 5.06 -0.01 1.83 2.01 0.79 -4.75 115.64 117.84 3nrz s THR 1066Ca 0.16 0.06 -0.11 0.00 0.31 0.00 0.00 61.69 62.12 3nrz s THR 1066Cb -0.01 -3.27 0.01 0.00 0.01 0.00 0.00 72.50 69.25 3nrz s THR 1066CO 0.02 0.49 0.22 -0.94 -0.69 0.00 0.00 174.62 173.72 3nrz s SER 1067N 0.07 -0.09 0.23 3.53 1.04 -1.26 -0.21 113.70 117.01 3nrz s SER 1067Ca 0.07 -0.02 0.25 0.00 0.48 0.00 0.00 55.95 56.73 3nrz s SER 1067Cb -0.12 0.28 0.90 0.00 0.10 0.00 0.00 66.02 67.18 3nrz s SER 1067CO 0.00 -0.37 1.75 0.35 0.98 0.00 0.00 173.24 175.95 3nrz n THR 1068N 1.53 0.70 1.26 2.02 -2.24 -0.82 -2.36 114.28 114.37 3nrz n THR 1068Ca -0.21 -0.04 0.13 0.00 -2.27 0.00 0.00 64.05 61.66 3nrz n THR 1068Cb 0.56 -0.86 0.37 0.00 -2.10 0.00 0.00 70.33 68.29 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 -2.25 2.07 -0.08 3.42 6.94 -1.26 -3.93 115.26 120.18 3nrz n ASN 1069Ca 0.04 -1.70 -0.14 0.00 -0.02 0.00 0.00 54.58 52.76 3nrz n ASN 1069Cb 0.33 -0.02 -0.06 0.00 -2.36 0.00 0.00 39.78 37.67 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 0.61 0.85 -3.92 5.53 -2.24 -1.00 -4.94 114.28 109.17 3nrz n THR 1070Ca 0.17 -0.25 -0.30 0.00 -2.27 0.00 0.00 64.05 61.40 3nrz n THR 1070Cb 0.44 -1.47 -0.16 0.00 -2.10 0.00 0.00 70.33 67.05 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 -2.29 1.44 0.57 2.28 1.01 -1.02 -4.80 120.40 117.59 3nrz s VAL 1071Ca -0.21 -1.17 -0.06 0.00 0.00 0.00 0.00 61.98 60.54 3nrz s VAL 1071Cb 0.07 -1.73 -0.00 0.00 0.00 0.00 0.00 36.38 34.72 3nrz s VAL 1071CO 0.30 -0.12 0.88 -2.16 0.00 0.00 0.00 175.10 174.00 3nrz s PRO 1072N 1.44 3.06 -1.46 2.72 0.04 -1.25 -4.45 135.00 135.09 3nrz s PRO 1072Ca -0.05 0.06 -0.09 0.00 0.04 0.00 0.00 61.00 60.96 3nrz s PRO 1072Cb -0.19 -2.29 0.04 0.00 0.04 0.00 0.00 34.50 32.11 3nrz s PRO 1072CO -0.06 -0.60 0.82 0.09 0.04 0.00 0.00 177.00 177.29 3nrz n ASN 1073N -2.52 -5.44 -4.77 6.66 3.02 -1.26 -4.95 115.26 106.00 3nrz n ASN 1073Ca 0.04 -0.49 -0.38 0.00 -0.03 0.00 0.00 54.58 53.72 3nrz n ASN 1073Cb 0.57 -4.36 -0.05 0.00 -0.61 0.00 0.00 39.78 35.32 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 -3.00 7.25 0.80 6.41 1.04 -1.26 -5.03 113.70 119.91 3nrz s SER 1074Ca 0.48 2.01 -0.10 0.00 0.48 0.00 0.00 55.95 58.81 3nrz s SER 1074Cb -0.23 -2.60 0.07 0.00 0.10 0.00 0.00 66.02 63.37 3nrz s SER 1074CO 0.59 -0.14 1.10 -0.44 0.98 0.00 0.00 173.24 175.34 3nrz s SER 1075N -1.34 4.21 0.64 7.02 0.01 -1.26 -4.51 113.70 118.46 3nrz s SER 1075Ca 0.49 1.86 -0.18 0.00 1.31 0.00 0.00 55.95 59.43 3nrz s SER 1075Cb -0.24 -2.51 -0.01 0.00 0.21 0.00 0.00 66.02 63.47 3nrz s SER 1075CO 0.30 -2.23 1.31 -0.81 0.41 0.00 0.00 173.24 172.22 3nrz n PRO 1076N -3.65 1.17 -2.47 12.44 -0.04 -1.26 -4.89 135.00 136.30 3nrz n PRO 1076Ca 0.09 0.46 -0.41 0.00 -0.04 0.00 0.00 63.50 63.60 3nrz n PRO 1076Cb 0.53 -2.54 -0.03 0.00 -0.04 0.00 0.00 33.50 31.42 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 -1.37 3.67 0.16 0.52 2.01 -0.13 -4.84 115.64 115.66 3nrz s THR 1077Ca 0.82 0.35 -0.24 0.00 0.31 0.00 0.00 61.69 62.93 3nrz s THR 1077Cb -0.38 -4.77 0.07 0.00 0.01 0.00 0.00 72.50 67.43 3nrz s THR 1077CO 0.41 -1.71 1.00 0.00 -0.69 0.00 0.00 174.62 173.63 3nrz s ALA 1078N 6.25 -1.64 -0.27 7.40 0.00 -1.26 -4.92 121.76 127.32 3nrz s ALA 1078Ca 0.40 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.33 3nrz s ALA 1078Cb -0.09 0.67 0.00 0.00 0.00 0.00 0.00 23.12 23.70 3nrz s ALA 1078CO 0.15 -1.05 0.00 0.00 0.00 0.00 0.00 175.76 174.86 3nrz n ALA 1079N -0.56 -0.04 -0.96 0.00 0.00 -1.26 -3.41 120.51 114.29 3nrz n ALA 1079Ca -0.05 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3nrz n ALA 1079Cb 0.60 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 19.09 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 -0.42 -5.04 -0.93 0.00 7.64 -1.26 -4.43 113.62 109.18 3nrz n SER 1080Ca -0.03 0.00 0.10 0.00 1.01 0.00 0.00 58.87 59.95 3nrz n SER 1080Cb 0.31 -2.98 0.16 0.00 -1.01 0.00 0.00 64.21 60.69 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 -2.13 0.43 -0.13 0.44 0.24 -1.22 -4.40 118.33 111.55 3nrz n VAL 1081Ca 0.00 -0.71 -0.08 0.00 -2.04 0.00 0.00 64.34 61.51 3nrz n VAL 1081Cb 0.39 1.02 0.00 0.00 -1.47 0.00 0.00 33.84 33.78 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 3.72 0.49 -0.57 -1.34 0.02 -1.89 0.19 113.55 114.17 3nrz h SER 1082Ca 0.00 -0.04 0.08 0.00 -0.84 0.00 0.00 61.79 60.99 3nrz h SER 1082Cb 0.85 -0.12 -0.06 0.00 0.14 0.00 0.00 62.40 63.21 3nrz h SER 1082CO 0.00 0.38 0.23 0.74 -1.14 0.00 0.00 176.83 177.04 3nrz h THR 1083N 0.55 0.83 0.13 -2.27 2.02 -1.96 0.74 112.91 112.95 3nrz h THR 1083Ca 0.15 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 3nrz h THR 1083Cb -0.03 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 66.74 3nrz h THR 1083CO -0.03 0.08 -0.06 0.44 0.37 0.00 0.00 175.52 176.32 3nrz h ASP 1084N 0.43 -0.14 0.15 4.18 5.19 -1.59 -0.50 116.42 124.14 3nrz h ASP 1084Ca 0.28 -0.11 -0.30 0.00 -0.62 0.00 0.00 57.03 56.28 3nrz h ASP 1084Cb 0.30 0.04 0.00 0.00 0.18 0.00 0.00 39.33 39.85 3nrz h ASP 1084CO -0.26 0.02 -1.52 0.16 -3.12 0.00 0.00 179.24 174.52 3nrz h ILE 1085N -0.30 1.03 -0.05 0.35 3.07 -0.76 -2.51 117.51 118.34 3nrz h ILE 1085Ca -0.02 -2.46 -0.12 0.00 1.55 0.00 0.00 64.86 63.81 3nrz h ILE 1085Cb 0.24 2.77 -0.01 0.00 -0.27 0.00 0.00 36.82 39.55 3nrz h ILE 1085CO 0.03 0.77 -0.53 1.88 -1.05 0.00 0.00 178.15 179.25 3nrz h TYR 1086N -0.13 0.17 -0.48 0.16 -1.99 -1.00 -1.67 116.97 112.02 3nrz h TYR 1086Ca -0.31 -0.06 0.01 0.00 2.00 0.00 0.00 58.73 60.37 3nrz h TYR 1086Cb 1.90 -0.03 -0.03 0.00 2.00 0.00 0.00 36.73 40.57 3nrz h TYR 1086CO 0.12 0.64 0.32 0.78 -0.00 0.00 0.00 178.16 180.01 3nrz h GLY 1087N 1.47 0.68 1.03 3.88 0.00 -1.14 -0.27 103.07 108.72 3nrz h GLY 1087Ca 0.00 -0.25 -0.05 0.00 0.00 0.00 0.00 47.33 47.03 3nrz h GLY 1087CO 0.08 0.24 0.21 -1.61 0.00 0.00 0.00 176.54 175.46 3nrz h GLN 1088N 0.64 1.05 -0.49 4.80 5.75 -1.28 -0.05 115.11 125.54 3nrz h GLN 1088Ca 0.18 -0.22 -0.05 0.00 -0.15 0.00 0.00 58.65 58.41 3nrz h GLN 1088Cb -0.06 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.32 3nrz h GLN 1088CO -0.05 0.91 0.12 0.00 -2.65 0.00 0.00 178.83 177.16 3nrz h ALA 1089N 1.09 0.65 -0.48 3.38 0.00 -0.98 -0.80 119.26 122.12 3nrz h ALA 1089Ca 0.22 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3nrz h ALA 1089Cb 0.29 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3nrz h ALA 1089CO -0.01 0.34 0.17 0.28 0.00 0.00 0.00 179.25 180.03 3nrz h VAL 1090N 0.67 1.22 -0.37 0.00 2.07 -0.95 -2.04 116.25 116.85 3nrz h VAL 1090Ca 0.15 -0.71 0.04 0.00 0.82 0.00 0.00 66.70 67.00 3nrz h VAL 1090Cb 0.33 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 3nrz h VAL 1090CO 0.00 0.26 0.15 0.22 0.02 0.00 0.00 177.57 178.22 3nrz h TYR 1091N 0.63 0.26 -0.64 1.57 3.20 -0.72 0.55 116.97 121.82 3nrz h TYR 1091Ca 0.16 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.00 3nrz h TYR 1091Cb 0.24 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.42 3nrz h TYR 1091CO 0.01 0.12 0.23 0.93 -1.64 0.00 0.00 178.16 177.81 3nrz h GLU 1092N 0.31 0.98 -0.82 1.82 4.39 -1.03 -0.28 114.58 119.94 3nrz h GLU 1092Ca 0.16 -0.20 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 3nrz h GLU 1092Cb 0.12 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 28.58 3nrz h GLU 1092CO -0.15 0.85 0.47 0.00 -1.16 0.00 0.00 179.01 179.02 3nrz h ALA 1093N 1.09 1.05 -0.80 3.43 0.00 -1.02 -2.17 119.26 120.84 3nrz h ALA 1093Ca 0.21 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3nrz h ALA 1093Cb 0.25 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 3nrz h ALA 1093CO -0.01 0.54 0.38 0.00 0.00 0.00 0.00 179.25 180.16 3nrz h GLN 1095N 1.13 1.21 -0.01 0.00 1.08 -0.68 -0.93 115.11 116.93 3nrz h GLN 1095Ca 0.27 -0.10 0.00 0.00 -1.45 0.00 0.00 58.65 57.37 3nrz h GLN 1095Cb 0.13 -0.26 -0.00 0.00 -0.05 0.00 0.00 27.48 27.30 3nrz h GLN 1095CO -0.03 0.84 -0.00 1.15 -0.95 0.00 0.00 178.83 179.84 3nrz h THR 1096N 1.23 0.99 -0.36 -0.54 2.02 -1.04 0.55 112.91 115.77 3nrz h THR 1096Ca 0.32 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.55 3nrz h THR 1096Cb -0.06 0.99 -0.04 0.00 -1.74 0.00 0.00 68.15 67.29 3nrz h THR 1096CO -0.06 0.00 0.12 0.40 0.37 0.00 0.00 175.52 176.35 3nrz h ILE 1097N -0.00 0.89 -0.87 3.11 2.04 -1.12 -1.11 117.51 120.46 3nrz h ILE 1097Ca 0.00 -0.09 0.03 0.00 1.00 0.00 0.00 64.86 65.80 3nrz h ILE 1097Cb 0.01 0.60 -0.05 0.00 -0.74 0.00 0.00 36.82 36.63 3nrz h ILE 1097CO -0.01 0.05 0.56 -0.07 0.00 0.00 0.00 178.15 178.68 3nrz h LEU 1098N 0.27 0.94 -0.90 1.44 3.38 -0.98 -0.58 115.31 118.88 3nrz h LEU 1098Ca 0.16 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3nrz h LEU 1098Cb 0.15 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 3nrz h LEU 1098CO -0.17 0.65 0.53 0.11 0.09 0.00 0.00 178.44 179.65 3nrz h LYS 1099N 1.10 1.22 -0.04 1.13 1.79 -0.28 -1.89 116.57 119.60 3nrz h LYS 1099Ca 0.34 -0.12 -0.12 0.00 -2.18 0.00 0.00 60.65 58.57 3nrz h LYS 1099Cb -0.01 -0.25 -0.01 0.00 -1.58 0.00 0.00 32.23 30.37 3nrz h LYS 1099CO -0.11 0.87 -0.55 0.00 -1.08 0.00 0.00 179.45 178.58 3nrz h ARG 1100N 1.24 0.12 0.00 3.15 3.08 -0.50 -3.08 114.38 118.39 3nrz h ARG 1100Ca 0.32 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.30 3nrz h ARG 1100Cb -0.04 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.02 3nrz h ARG 1100CO -0.06 0.63 -0.36 1.28 -1.07 0.00 0.00 179.97 180.39 3nrz n LEU 1101N -3.90 0.55 -0.13 3.04 4.77 -0.29 -4.42 117.00 116.62 3nrz n LEU 1101Ca -0.02 0.29 -0.04 0.00 -0.03 0.00 0.00 56.01 56.21 3nrz n LEU 1101Cb 0.56 -0.28 0.04 0.00 -2.33 0.00 0.00 43.42 41.41 3nrz n LEU 1101CO 0.42 -0.03 0.90 -0.08 -1.33 0.00 0.00 177.39 177.27 3nrz h GLU 1102N 0.00 0.19 -0.60 3.23 4.57 -1.25 -0.94 114.58 119.78 3nrz h GLU 1102Ca 0.00 -0.01 0.12 0.00 -1.18 0.00 0.00 59.36 58.28 3nrz h GLU 1102Cb 0.64 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 29.15 3nrz h GLU 1102CO 0.00 0.13 0.41 -1.35 -1.18 0.00 0.00 179.01 177.01 3nrz h PRO 1103N 0.20 0.31 0.13 0.92 0.11 -1.79 0.35 132.00 132.23 3nrz h PRO 1103Ca 0.21 -0.02 -0.29 0.00 0.11 0.00 0.00 66.00 66.00 3nrz h PRO 1103Cb 0.26 -0.07 0.02 0.00 0.11 0.00 0.00 31.00 31.33 3nrz h PRO 1103CO -0.28 0.21 -1.25 0.74 -0.21 0.00 0.00 178.00 177.21 3nrz h PHE 1104N 0.32 0.89 -0.63 0.65 -1.00 -1.51 -2.28 116.94 113.38 3nrz h PHE 1104Ca 0.28 -0.57 0.01 0.00 2.81 0.00 0.00 57.97 60.49 3nrz h PHE 1104Cb 0.68 -0.06 -0.03 0.00 3.61 0.00 0.00 35.95 40.14 3nrz h PHE 1104CO -0.00 1.42 0.42 -0.22 -1.61 0.00 0.00 178.31 178.32 3nrz h LYS 1105N 0.22 0.83 -0.75 1.51 3.64 -0.50 -1.73 116.57 119.79 3nrz h LYS 1105Ca -0.18 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.15 3nrz h LYS 1105Cb 1.92 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 33.52 3nrz h LYS 1105CO 0.23 0.55 0.46 0.87 -2.27 0.00 0.00 179.45 179.29 3nrz h LYS 1106N 0.86 1.02 -0.09 1.90 1.57 -0.92 -1.45 116.57 119.46 3nrz h LYS 1106Ca 0.23 -0.09 -0.10 0.00 -1.87 0.00 0.00 60.65 58.82 3nrz h LYS 1106Cb -0.10 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 31.98 3nrz h LYS 1106CO -0.05 0.72 -0.42 0.87 -0.57 0.00 0.00 179.45 180.00 3nrz h LYS 1107N 1.03 0.20 -2.03 3.15 1.57 -1.18 -3.37 116.57 115.93 3nrz h LYS 1107Ca 0.27 -0.09 -0.55 0.00 -1.87 0.00 0.00 60.65 58.41 3nrz h LYS 1107Cb -0.04 -0.00 -0.40 0.00 0.08 0.00 0.00 32.23 31.87 3nrz h LYS 1107CO -0.05 0.58 -1.06 -1.71 -0.57 0.00 0.00 179.45 176.65 3nrz n ASN 1108N -4.02 0.85 0.29 0.86 5.15 -0.67 -4.98 115.26 112.74 3nrz n ASN 1108Ca -0.02 -2.88 0.18 0.00 -0.60 0.00 0.00 54.58 51.26 3nrz n ASN 1108Cb 0.48 -0.64 0.81 0.00 -0.53 0.00 0.00 39.78 39.90 3nrz n ASN 1108CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 3nrz h PRO 1109N 3.77 0.00 -0.65 1.20 0.11 -1.45 -1.29 132.00 133.68 3nrz h PRO 1109Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 3nrz h PRO 1109Cb 0.86 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 3nrz h PRO 1109CO 0.52 0.03 0.00 -0.25 -0.21 0.00 0.00 178.00 178.10 3nrz n ASP 1110N -3.19 4.24 -4.84 -2.05 8.00 -1.26 -4.97 116.55 112.49 3nrz n ASP 1110Ca -0.01 -2.23 -0.29 0.00 0.71 0.00 0.00 54.79 52.97 3nrz n ASP 1110Cb 0.25 -0.51 0.11 0.00 -0.02 0.00 0.00 41.12 40.94 3nrz n ASP 1110CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3nrz s GLY 1111N -0.99 1.59 0.48 0.44 0.00 -0.49 -5.08 107.32 103.28 3nrz s GLY 1111Ca 0.48 -0.51 -0.01 0.00 0.00 0.00 0.00 44.72 44.67 3nrz s GLY 1111CO 0.27 -0.01 0.73 -1.35 0.00 0.00 0.00 173.10 172.74 3nrz s SER 1112N -4.23 5.80 0.25 1.64 1.04 -1.26 -4.96 113.70 111.98 3nrz s SER 1112Ca 0.62 0.42 -0.05 0.00 0.48 0.00 0.00 55.95 57.42 3nrz s SER 1112Cb -0.13 -1.61 0.48 0.00 0.10 0.00 0.00 66.02 64.86 3nrz s SER 1112CO 0.52 -0.78 1.65 -0.25 0.98 0.00 0.00 173.24 175.36 3nrz h TRP 1113N 0.26 0.07 -0.82 5.02 2.91 -1.98 -1.63 115.95 119.78 3nrz h TRP 1113Ca -0.46 0.05 0.02 0.00 1.13 0.00 0.00 58.89 59.64 3nrz h TRP 1113Cb 1.25 0.09 -0.05 0.00 -0.51 0.00 0.00 29.16 29.94 3nrz h TRP 1113CO 0.46 -0.21 0.53 0.93 -1.03 0.00 0.00 178.44 179.13 3nrz h GLU 1114N 0.15 1.01 -0.20 2.65 3.07 -1.93 -0.56 114.58 118.76 3nrz h GLU 1114Ca 0.43 -0.06 -0.00 0.00 -0.50 0.00 0.00 59.36 59.23 3nrz h GLU 1114Cb 0.78 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 28.45 3nrz h GLU 1114CO -0.63 0.67 0.11 -0.44 -1.40 0.00 0.00 179.01 177.32 3nrz h ASP 1115N 1.05 0.25 -0.58 1.42 3.32 -1.74 -1.46 116.42 118.68 3nrz h ASP 1115Ca 0.32 -0.08 -0.05 0.00 0.02 0.00 0.00 57.03 57.23 3nrz h ASP 1115Cb -0.03 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 3nrz h ASP 1115CO -0.10 0.26 0.16 -0.50 -1.72 0.00 0.00 179.24 177.34 3nrz h TRP 1116N 0.23 0.96 -0.13 4.55 6.55 -0.91 -1.46 115.95 125.74 3nrz h TRP 1116Ca 0.07 -0.11 -0.01 0.00 0.95 0.00 0.00 58.89 59.79 3nrz h TRP 1116Cb 0.06 -0.27 -0.01 0.00 -0.86 0.00 0.00 29.16 28.09 3nrz h TRP 1116CO -0.04 0.81 0.04 0.28 -1.05 0.00 0.00 178.44 178.49 3nrz h VAL 1117N 0.83 1.17 -0.63 1.49 2.07 -1.04 -1.03 116.25 119.12 3nrz h VAL 1117Ca 0.18 -0.51 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 3nrz h VAL 1117Cb 0.32 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 3nrz h VAL 1117CO -0.00 0.15 0.30 -0.03 0.02 0.00 0.00 177.57 178.01 3nrz h MET 1118N 0.04 0.89 -0.67 1.57 1.85 -1.20 -0.83 114.93 116.57 3nrz h MET 1118Ca 0.04 -0.12 -0.03 0.00 -0.61 0.00 0.00 59.70 58.99 3nrz h MET 1118Cb 0.20 -0.17 -0.03 0.00 0.43 0.00 0.00 31.60 32.03 3nrz h MET 1118CO -0.00 0.69 0.30 0.00 -0.40 0.00 0.00 176.91 177.50 3nrz h ALA 1119N 1.44 0.87 -0.33 0.39 0.00 -1.02 -0.83 119.26 119.78 3nrz h ALA 1119Ca 0.22 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3nrz h ALA 1119Cb 0.10 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3nrz h ALA 1119CO -0.03 0.45 0.06 0.00 0.00 0.00 0.00 179.25 179.73 3nrz h ALA 1120N 1.14 0.44 -0.28 0.00 0.00 -0.75 -1.50 119.26 118.31 3nrz h ALA 1120Ca 0.23 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.97 3nrz h ALA 1120Cb 0.15 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3nrz h ALA 1120CO -0.03 0.14 0.12 -0.92 0.00 0.00 0.00 179.25 178.56 3nrz h TYR 1121N 0.39 0.23 0.00 0.00 3.20 -0.96 -0.99 116.97 118.84 3nrz h TYR 1121Ca 0.10 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.98 3nrz h TYR 1121Cb 0.34 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.55 3nrz h TYR 1121CO 0.02 0.12 0.00 1.96 -1.64 0.00 0.00 178.16 178.62 3nrz h GLN 1122N 0.27 0.00 -0.49 1.82 4.20 -1.02 -0.98 115.11 118.90 3nrz h GLN 1122Ca 0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.83 3nrz h GLN 1122Cb 0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.84 3nrz h GLN 1122CO -0.10 0.00 0.00 -3.47 -0.67 0.00 0.00 178.83 174.59 3nrz n ASP 1123N -2.64 3.25 -3.55 1.46 2.03 -0.57 -4.96 116.55 111.56 3nrz n ASP 1123Ca 0.01 -1.97 -0.20 0.00 0.52 0.00 0.00 54.79 53.16 3nrz n ASP 1123Cb 0.26 -0.32 0.07 0.00 -0.72 0.00 0.00 41.12 40.40 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 1.31 -6.14 -3.83 -0.67 1.74 -0.37 -5.01 116.66 103.69 3nrz n ARG 1124Ca 0.20 0.76 -0.35 0.00 -0.77 0.00 0.00 57.85 57.69 3nrz n ARG 1124Cb 0.54 -5.63 -0.08 0.00 -1.02 0.00 0.00 32.46 26.27 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 -3.46 5.26 0.23 1.55 1.01 -0.45 -5.04 120.40 119.50 3nrz s VAL 1125Ca 0.08 0.13 -0.30 0.00 0.00 0.00 0.00 61.98 61.89 3nrz s VAL 1125Cb -0.04 -3.38 -0.09 0.00 0.00 0.00 0.00 36.38 32.88 3nrz s VAL 1125CO 0.76 0.47 1.31 -0.55 0.00 0.00 0.00 175.10 177.09 3nrz s SER 1126N 0.17 6.88 -0.32 3.32 0.15 -1.26 -4.41 113.70 118.23 3nrz s SER 1126Ca 0.08 2.47 0.08 0.00 0.70 0.00 0.00 55.95 59.27 3nrz s SER 1126Cb -0.11 -2.62 0.52 0.00 -1.71 0.00 0.00 66.02 62.10 3nrz s SER 1126CO -0.01 -0.52 1.52 0.18 1.20 0.00 0.00 173.24 175.61 3nrz n LEU 1127N 2.19 4.49 -3.93 3.45 4.77 -1.26 -4.95 117.00 121.76 3nrz n LEU 1127Ca 0.05 -3.81 -0.18 0.00 -0.03 0.00 0.00 56.01 52.04 3nrz n LEU 1127Cb 0.42 -0.66 -0.15 0.00 -2.33 0.00 0.00 43.42 40.70 3nrz n LEU 1127CO 0.58 1.28 -0.41 -0.55 -1.33 0.00 0.00 177.39 176.96 3nrz s SER 1128N -2.43 0.80 0.01 -1.43 0.15 -1.26 -0.53 113.70 109.01 3nrz s SER 1128Ca 0.46 -0.11 -0.17 0.00 0.70 0.00 0.00 55.95 56.83 3nrz s SER 1128Cb 0.42 -0.25 0.03 0.00 -1.71 0.00 0.00 66.02 64.51 3nrz s SER 1128CO 0.01 0.01 0.38 0.28 1.20 0.00 0.00 173.24 175.12 3nrz s THR 1129N 0.40 0.06 0.54 6.45 -1.32 -0.63 -5.01 115.64 116.13 3nrz s THR 1129Ca -0.05 -0.46 -0.06 0.00 -1.21 0.00 0.00 61.69 59.91 3nrz s THR 1129Cb -0.09 -0.83 -0.02 0.00 -1.51 0.00 0.00 72.50 70.05 3nrz s THR 1129CO -0.00 -0.25 0.85 0.42 -2.21 0.00 0.00 174.62 173.43 3nrz s THR 1130N -1.94 4.40 0.03 5.08 -4.23 -1.26 -0.75 115.64 116.98 3nrz s THR 1130Ca -0.09 0.18 0.02 0.00 -1.18 0.00 0.00 61.69 60.62 3nrz s THR 1130Cb -0.02 -3.71 -0.02 0.00 1.34 0.00 0.00 72.50 70.09 3nrz s THR 1130CO 0.01 -0.73 -0.07 -0.83 -0.54 0.00 0.00 174.62 172.47 3nrz s GLY 1131N -4.19 0.44 -0.09 3.99 0.00 -0.25 -4.41 107.32 102.81 3nrz s GLY 1131Ca 0.51 -0.69 -0.10 0.00 0.00 0.00 0.00 44.72 44.44 3nrz s GLY 1131CO 0.46 -0.74 0.27 -0.12 0.00 0.00 0.00 173.10 172.97 3nrz s PHE 1132N -1.29 -0.27 -0.01 1.90 5.36 -1.26 -0.71 117.98 121.71 3nrz s PHE 1132Ca -0.10 0.63 0.01 0.00 -0.96 0.00 0.00 56.93 56.51 3nrz s PHE 1132Cb -0.09 0.09 0.00 0.00 -0.34 0.00 0.00 43.02 42.68 3nrz s PHE 1132CO 0.00 -0.18 -0.04 -0.47 -1.46 0.00 0.00 175.22 173.07 3nrz s TYR 1133N -0.12 0.36 -0.10 10.12 5.04 -0.01 -4.76 117.35 127.89 3nrz s TYR 1133Ca -0.02 -0.07 -0.00 0.00 -2.44 0.00 0.00 57.07 54.54 3nrz s TYR 1133Cb -0.03 -0.26 0.02 0.00 0.35 0.00 0.00 41.96 42.05 3nrz s TYR 1133CO 0.01 -0.02 -0.08 0.50 -1.34 0.00 0.00 175.55 174.62 3nrz s ARG 1134N 0.02 1.45 0.11 4.97 3.52 -1.26 -0.84 118.95 126.92 3nrz s ARG 1134Ca 0.00 -0.24 -0.31 0.00 -0.13 0.00 0.00 55.73 55.05 3nrz s ARG 1134Cb -0.03 -1.47 -0.10 0.00 -1.56 0.00 0.00 34.95 31.79 3nrz s ARG 1134CO -0.00 -0.21 1.83 0.99 -0.81 0.00 0.00 175.30 177.09 3nrz s THR 1135N 1.53 2.61 0.53 4.11 2.01 -0.92 -4.98 115.64 120.52 3nrz s THR 1135Ca 0.01 0.08 -0.15 0.00 0.31 0.00 0.00 61.69 61.95 3nrz s THR 1135Cb -0.13 -3.05 -0.07 0.00 0.01 0.00 0.00 72.50 69.26 3nrz s THR 1135CO -0.06 -0.00 0.97 -2.16 -0.69 0.00 0.00 174.62 172.68 3nrz s PRO 1136N 2.86 3.85 -1.26 4.92 0.04 -1.26 -4.47 135.00 139.68 3nrz s PRO 1136Ca 0.81 0.85 -0.08 0.00 0.04 0.00 0.00 61.00 62.62 3nrz s PRO 1136Cb -0.45 -2.15 0.01 0.00 0.04 0.00 0.00 34.50 31.95 3nrz s PRO 1136CO 0.36 -0.32 1.10 0.09 0.04 0.00 0.00 177.00 178.28 3nrz n ASN 1137N -1.83 -5.88 -4.62 6.66 3.02 -1.26 -4.99 115.26 106.36 3nrz n ASN 1137Ca 0.06 -0.51 -0.31 0.00 -0.03 0.00 0.00 54.58 53.79 3nrz n ASN 1137Cb 0.54 -4.75 -0.10 0.00 -0.61 0.00 0.00 39.78 34.87 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 -6.85 3.25 0.00 3.41 1.43 -1.26 -4.38 118.68 114.27 3nrz s LEU 1138Ca 0.52 -0.18 0.00 0.00 -1.03 0.00 0.00 54.13 53.44 3nrz s LEU 1138Cb -0.23 -1.93 0.00 0.00 0.03 0.00 0.00 46.19 44.06 3nrz s LEU 1138CO 0.68 0.24 0.00 0.61 0.23 0.00 0.00 176.35 178.11 3nrz n GLY 1139N 1.15 0.33 3.78 -3.19 0.00 -0.02 -4.90 105.19 102.35 3nrz n GLY 1139Ca -0.14 0.13 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 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 3.83 -0.23 1.61 5.04 -1.13 -3.89 117.35 122.58 3nrz s TYR 1140Ca 0.00 1.62 -0.02 0.00 -2.44 0.00 0.00 57.07 56.22 3nrz s TYR 1140Cb 0.00 -2.77 0.01 0.00 0.35 0.00 0.00 41.96 39.56 3nrz s TYR 1140CO 0.00 0.44 -0.06 0.45 -1.34 0.00 0.00 175.55 175.03 3nrz s SER 1141N -1.32 4.21 0.60 4.32 0.15 0.58 -4.96 113.70 117.28 3nrz s SER 1141Ca 0.39 -0.68 0.36 0.00 0.70 0.00 0.00 55.95 56.73 3nrz s SER 1141Cb -0.21 -1.68 1.88 0.00 -1.71 0.00 0.00 66.02 64.30 3nrz s SER 1141CO 0.25 -0.08 2.20 -0.26 1.20 0.00 0.00 173.24 176.55 3nrz h PHE 1142N 8.05 0.00 -3.00 3.44 -1.00 -1.95 -0.55 116.94 121.93 3nrz h PHE 1142Ca -0.37 0.00 -0.77 0.00 2.81 0.00 0.00 57.97 59.64 3nrz h PHE 1142Cb 1.13 0.00 -0.30 0.00 3.61 0.00 0.00 35.95 40.39 3nrz h PHE 1142CO 0.57 0.03 0.47 -0.85 -1.61 0.00 0.00 178.31 176.92 3nrz n GLU 1143N -3.34 3.88 0.00 1.51 0.28 -1.26 -4.09 120.64 117.62 3nrz n GLU 1143Ca -0.02 -4.55 0.00 0.00 -0.16 0.00 0.00 57.16 52.44 3nrz n GLU 1143Cb 0.16 -2.48 0.00 0.00 1.43 0.00 0.00 31.44 30.56 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 1.63 0.00 -3.84 3.84 -2.24 -1.18 -4.92 114.28 107.57 3nrz n THR 1144Ca 0.26 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.79 3nrz n THR 1144Cb 0.36 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.60 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 -1.50 -4.05 3.42 5.15 -0.22 -4.99 115.26 113.07 3nrz n ASN 1145Ca 0.00 -0.88 -0.10 0.00 -0.60 0.00 0.00 54.58 53.00 3nrz n ASN 1145Cb 0.00 -3.65 -0.06 0.00 -0.53 0.00 0.00 39.78 35.54 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 -4.17 -0.03 0.00 1.20 1.04 -1.19 -4.49 113.70 106.07 3nrz s SER 1146Ca 0.13 -1.04 0.00 0.00 0.48 0.00 0.00 55.95 55.52 3nrz s SER 1146Cb -0.07 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.58 3nrz s SER 1146CO 0.84 -1.06 0.00 0.61 0.98 0.00 0.00 173.24 174.62 3nrz n GLY 1147N -0.35 0.33 3.69 7.32 0.00 -1.26 -0.30 105.19 114.61 3nrz n GLY 1147Ca -0.01 -1.51 -0.42 0.00 0.00 0.00 0.00 46.02 44.08 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 -0.93 6.92 0.04 1.61 0.01 -1.25 -4.17 114.94 117.16 3nrz s ASN 1148Ca 0.00 1.99 0.04 0.00 -0.71 0.00 0.00 52.86 54.18 3nrz s ASN 1148Cb 0.00 -2.56 -0.24 0.00 0.41 0.00 0.00 41.25 38.86 3nrz s ASN 1148CO 0.00 -0.68 0.99 0.00 -1.51 0.00 0.00 177.10 175.89 3nrz h ALA 1149N 7.78 0.40 -2.64 0.60 0.00 -1.90 0.04 119.26 123.54 3nrz h ALA 1149Ca -0.36 -1.10 -0.37 0.00 0.00 0.00 0.00 54.91 53.08 3nrz h ALA 1149Cb 1.17 0.15 -0.17 0.00 0.00 0.00 0.00 17.79 18.94 3nrz h ALA 1149CO 0.90 1.27 -0.74 -0.06 0.00 0.00 0.00 179.25 180.62 3nrz s PHE 1150N -2.65 1.30 0.05 0.00 0.40 -1.26 -4.78 117.98 111.05 3nrz s PHE 1150Ca -0.04 -0.63 -0.16 0.00 -0.60 0.00 0.00 56.93 55.50 3nrz s PHE 1150Cb 0.08 -0.68 -0.21 0.00 0.51 0.00 0.00 43.02 42.73 3nrz s PHE 1150CO 0.84 0.11 1.19 1.25 0.70 0.00 0.00 175.22 179.31 3nrz h HIS 1151N 3.27 0.87 -2.32 0.36 2.76 -1.29 -3.48 115.15 115.32 3nrz h HIS 1151Ca -0.38 -0.44 0.06 0.00 -2.20 0.00 0.00 60.37 57.40 3nrz h HIS 1151Cb 1.19 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 30.03 3nrz h HIS 1151CO 0.65 1.26 0.29 2.48 -1.30 0.00 0.00 177.93 181.32 3nrz n TYR 1152N -4.04 -1.32 -4.75 5.26 0.18 -1.24 -5.04 117.16 106.20 3nrz n TYR 1152Ca -0.10 -0.90 -0.25 0.00 1.88 0.00 0.00 57.90 58.53 3nrz n TYR 1152Cb 0.75 0.44 -0.15 0.00 -0.38 0.00 0.00 39.34 40.01 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 -4.05 1.72 -0.10 -3.48 0.40 -1.26 -0.55 117.98 110.67 3nrz s PHE 1153Ca 0.12 -0.35 -0.06 0.00 -0.60 0.00 0.00 56.93 56.05 3nrz s PHE 1153Cb -0.02 -1.06 -0.04 0.00 0.51 0.00 0.00 43.02 42.40 3nrz s PHE 1153CO 0.05 0.03 0.12 0.99 0.70 0.00 0.00 175.22 177.11 3nrz s THR 1154N -0.64 5.31 0.17 0.64 2.01 -0.47 -4.93 115.64 117.73 3nrz s THR 1154Ca 0.07 0.09 0.08 0.00 0.31 0.00 0.00 61.69 62.25 3nrz s THR 1154Cb -0.08 -3.32 -0.04 0.00 0.01 0.00 0.00 72.50 69.07 3nrz s THR 1154CO 0.01 0.58 -0.17 -0.31 -0.69 0.00 0.00 174.62 174.04 3nrz s TYR 1155N -1.04 1.78 0.02 4.92 1.51 -1.25 -1.03 117.35 122.26 3nrz s TYR 1155Ca 0.16 -0.49 -0.29 0.00 -1.01 0.00 0.00 57.07 55.45 3nrz s TYR 1155Cb -0.12 -0.88 0.10 0.00 -0.11 0.00 0.00 41.96 40.95 3nrz s TYR 1155CO 0.05 0.33 0.99 0.20 -1.11 0.00 0.00 175.55 176.02 3nrz s GLY 1156N -2.78 -0.36 0.01 0.71 0.00 -0.80 -0.97 107.32 103.12 3nrz s GLY 1156Ca 0.17 0.77 0.00 0.00 0.00 0.00 0.00 44.72 45.66 3nrz s GLY 1156CO 0.07 0.23 -0.02 0.14 0.00 0.00 0.00 173.10 173.52 3nrz s VAL 1157N -3.01 0.10 -0.01 1.40 1.01 -0.25 -0.46 120.40 119.18 3nrz s VAL 1157Ca 0.09 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 61.70 3nrz s VAL 1157Cb -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 36.38 36.22 3nrz s VAL 1157CO -0.04 -0.18 -0.04 0.00 0.00 0.00 0.00 175.10 174.84 3nrz s ALA 1158N -0.57 0.39 -0.12 5.51 0.00 -0.08 -0.85 121.76 126.05 3nrz s ALA 1158Ca -0.06 -0.11 0.01 0.00 0.00 0.00 0.00 51.96 51.80 3nrz s ALA 1158Cb -0.04 -0.17 -0.01 0.00 0.00 0.00 0.00 23.12 22.90 3nrz s ALA 1158CO -0.00 0.05 -0.17 0.00 0.00 0.00 0.00 175.76 175.64 3nrz s SER 1160N 0.31 1.24 -0.03 0.00 0.01 -0.22 -0.79 113.70 114.22 3nrz s SER 1160Ca -0.13 -0.45 0.06 0.00 1.31 0.00 0.00 55.95 56.74 3nrz s SER 1160Cb -0.16 -0.05 -0.01 0.00 0.21 0.00 0.00 66.02 66.01 3nrz s SER 1160CO 0.07 -0.05 -0.21 -0.70 0.41 0.00 0.00 173.24 172.76 3nrz s GLU 1161N -1.19 1.90 0.12 12.44 2.12 0.13 -1.61 118.70 132.61 3nrz s GLU 1161Ca -0.02 -0.74 0.03 0.00 0.36 0.00 0.00 54.97 54.60 3nrz s GLU 1161Cb -0.08 -1.72 -0.04 0.00 0.26 0.00 0.00 34.13 32.55 3nrz s GLU 1161CO 0.01 0.37 -0.09 0.14 -0.54 0.00 0.00 175.26 175.15 3nrz s VAL 1162N -0.26 0.97 -0.11 3.70 -7.23 -0.48 -0.82 120.40 116.17 3nrz s VAL 1162Ca 0.02 -1.96 0.02 0.00 -1.81 0.00 0.00 61.98 58.25 3nrz s VAL 1162Cb -0.10 -1.72 0.01 0.00 0.56 0.00 0.00 36.38 35.12 3nrz s VAL 1162CO 0.01 -0.77 -0.18 -0.70 -0.31 0.00 0.00 175.10 173.15 3nrz s GLU 1163N -3.65 2.55 0.01 4.82 2.12 -0.11 -1.97 118.70 122.47 3nrz s GLU 1163Ca 0.13 -0.69 -0.01 0.00 0.36 0.00 0.00 54.97 54.77 3nrz s GLU 1163Cb 0.03 -2.07 -0.04 0.00 0.26 0.00 0.00 34.13 32.31 3nrz s GLU 1163CO -0.01 0.01 0.12 0.96 -0.54 0.00 0.00 175.26 175.80 3nrz s ILE 1164N 0.78 5.00 -0.51 -3.70 -4.36 0.49 -0.27 121.20 118.63 3nrz s ILE 1164Ca -0.10 -0.36 -0.18 0.00 -0.26 0.00 0.00 60.65 59.75 3nrz s ILE 1164Cb -0.16 -3.33 0.07 0.00 1.25 0.00 0.00 42.46 40.29 3nrz s ILE 1164CO 0.01 0.30 0.58 -0.62 0.24 0.00 0.00 174.94 175.45 3nrz s ASP 1165N -1.93 6.20 0.60 4.36 -1.08 0.49 -2.40 116.67 122.92 3nrz s ASP 1165Ca 0.26 -1.07 0.39 0.00 -0.52 0.00 0.00 52.55 51.62 3nrz s ASP 1165Cb -0.12 -2.27 1.99 0.00 -1.46 0.00 0.00 42.92 41.06 3nrz s ASP 1165CO 0.17 -0.86 2.19 0.00 0.52 0.00 0.00 175.17 177.20 3nrz h LEU 1167N 0.00 0.00 0.00 0.00 3.38 -1.93 -3.40 115.31 113.36 3nrz h LEU 1167Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3nrz h LEU 1167Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3nrz h LEU 1167CO 0.00 0.18 -0.73 0.35 0.09 0.00 0.00 178.44 178.33 3nrz n THR 1168N -2.89 0.00 -0.62 0.22 -2.24 -0.93 -5.02 114.28 102.80 3nrz n THR 1168Ca -0.01 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 3nrz n THR 1168Cb 0.63 0.52 0.00 0.00 -2.10 0.00 0.00 70.33 69.37 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 1.96 1.57 3.78 3.38 0.00 0.42 -4.78 105.19 111.52 3nrz n GLY 1169Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.29 5.29 0.09 1.61 2.15 -1.25 -4.19 116.67 117.08 3nrz s ASP 1170Ca 0.00 1.96 -0.06 0.00 0.43 0.00 0.00 52.55 54.88 3nrz s ASP 1170Cb 0.00 -2.55 -0.01 0.00 -0.30 0.00 0.00 42.92 40.06 3nrz s ASP 1170CO 0.00 -1.50 0.14 -1.38 -0.17 0.00 0.00 175.17 172.26 3nrz s HIS 1171N -2.35 0.32 -0.09 -5.34 -3.43 -1.26 -0.38 115.29 102.77 3nrz s HIS 1171Ca 0.66 -0.77 0.05 0.00 -0.80 0.00 0.00 55.06 54.20 3nrz s HIS 1171Cb -0.20 -0.17 -0.00 0.00 -1.43 0.00 0.00 32.58 30.78 3nrz s HIS 1171CO 0.40 -0.53 -0.24 0.15 -2.00 0.00 0.00 174.74 172.52 3nrz s LYS 1172N -3.90 2.87 -0.39 -0.38 1.02 0.63 -4.96 119.74 114.62 3nrz s LYS 1172Ca 0.08 -0.89 -0.25 0.00 0.02 0.00 0.00 55.97 54.93 3nrz s LYS 1172Cb 0.06 -2.26 0.02 0.00 -0.52 0.00 0.00 37.83 35.13 3nrz s LYS 1172CO -0.09 0.25 0.91 -0.80 -0.92 0.00 0.00 175.35 174.71 3nrz s ASN 1173N 0.16 6.62 -0.14 2.83 0.01 -1.26 -0.93 114.94 122.22 3nrz s ASN 1173Ca -0.13 0.43 -0.14 0.00 -0.71 0.00 0.00 52.86 52.31 3nrz s ASN 1173Cb -0.16 -2.45 -0.24 0.00 0.41 0.00 0.00 41.25 38.80 3nrz s ASN 1173CO 0.07 -0.90 0.37 -0.07 -1.51 0.00 0.00 177.10 175.06 3nrz h LEU 1174N 10.17 0.27 -7.00 0.60 3.38 -1.33 -2.19 115.31 119.22 3nrz h LEU 1174Ca -0.24 -0.79 0.04 0.00 0.09 0.00 0.00 57.88 56.99 3nrz h LEU 1174Cb 1.08 -0.09 -0.24 0.00 0.09 0.00 0.00 40.66 41.50 3nrz h LEU 1174CO 0.99 1.68 0.30 -0.60 0.09 0.00 0.00 178.44 180.89 3nrz s ARG 1175N -2.48 0.60 -0.03 1.13 3.52 -1.16 -2.06 118.95 118.47 3nrz s ARG 1175Ca -0.24 0.80 0.02 0.00 -0.13 0.00 0.00 55.73 56.19 3nrz s ARG 1175Cb 0.06 0.24 0.01 0.00 -1.56 0.00 0.00 34.95 33.70 3nrz s ARG 1175CO 0.71 -0.09 -0.08 0.99 -0.81 0.00 0.00 175.30 176.03 3nrz s THR 1176N 0.66 0.70 -0.10 4.11 2.01 -0.09 -0.70 115.64 122.23 3nrz s THR 1176Ca -0.02 -0.28 0.04 0.00 0.31 0.00 0.00 61.69 61.74 3nrz s THR 1176Cb -0.05 -0.65 0.00 0.00 0.01 0.00 0.00 72.50 71.82 3nrz s THR 1176CO -0.08 0.23 -0.24 -1.81 -0.69 0.00 0.00 174.62 172.04 3nrz s ASP 1177N 0.41 3.07 -0.06 3.53 1.01 0.03 -0.73 116.67 123.93 3nrz s ASP 1177Ca -0.06 -0.56 0.05 0.00 0.71 0.00 0.00 52.55 52.69 3nrz s ASP 1177Cb -0.10 -1.40 -0.00 0.00 1.01 0.00 0.00 42.92 42.42 3nrz s ASP 1177CO 0.01 0.15 -0.21 -0.63 0.21 0.00 0.00 175.17 174.70 3nrz s ILE 1178N 0.37 1.75 -0.18 0.77 1.01 0.25 -0.44 121.20 124.73 3nrz s ILE 1178Ca -0.18 -0.88 0.01 0.00 0.00 0.00 0.00 60.65 59.60 3nrz s ILE 1178Cb -0.18 -1.51 0.03 0.00 0.01 0.00 0.00 42.46 40.81 3nrz s ILE 1178CO 0.08 0.49 -0.18 -0.69 0.00 0.00 0.00 174.94 174.65 3nrz s VAL 1179N 0.10 1.97 -0.08 2.92 1.01 -0.03 -1.01 120.40 125.27 3nrz s VAL 1179Ca -0.08 -0.96 0.03 0.00 0.00 0.00 0.00 61.98 60.97 3nrz s VAL 1179Cb -0.14 -1.83 -0.02 0.00 0.00 0.00 0.00 36.38 34.39 3nrz s VAL 1179CO 0.04 0.45 -0.18 -0.04 0.00 0.00 0.00 175.10 175.38 3nrz s MET 1180N 1.31 2.85 -0.57 2.72 -1.94 -0.52 -1.09 119.30 122.06 3nrz s MET 1180Ca 0.03 -0.77 -0.22 0.00 -1.71 0.00 0.00 55.69 53.03 3nrz s MET 1180Cb -0.14 -2.39 0.06 0.00 2.01 0.00 0.00 34.83 34.37 3nrz s MET 1180CO -0.12 0.38 0.84 0.34 -0.01 0.00 0.00 175.02 176.46 3nrz s ASP 1181N -0.13 6.25 -0.21 3.03 2.15 -0.15 -0.48 116.67 127.14 3nrz s ASP 1181Ca -0.03 -0.76 0.13 0.00 0.43 0.00 0.00 52.55 52.33 3nrz s ASP 1181Cb -0.14 -2.38 0.42 0.00 -0.30 0.00 0.00 42.92 40.53 3nrz s ASP 1181CO 0.04 -1.18 1.29 1.33 -0.17 0.00 0.00 175.17 176.47 3nrz n VAL 1182N 5.92 2.23 -4.64 1.11 0.24 -1.26 -3.87 118.33 118.06 3nrz n VAL 1182Ca -0.03 -2.72 0.00 0.00 -2.04 0.00 0.00 64.34 59.55 3nrz n VAL 1182Cb 0.46 -0.26 0.00 0.00 -1.47 0.00 0.00 33.84 32.57 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 -1.13 1.77 3.46 7.63 0.00 -1.26 -1.83 105.19 113.83 3nrz n GLY 1183Ca 0.22 -0.50 -0.43 0.00 0.00 0.00 0.00 46.02 45.31 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 0.20 1.61 0.01 0.51 -4.73 113.70 113.54 3nrz s SER 1184Ca 0.00 -0.84 -0.32 0.00 1.31 0.00 0.00 55.95 56.10 3nrz s SER 1184Cb 0.00 -2.38 -0.12 0.00 0.21 0.00 0.00 66.02 63.73 3nrz s SER 1184CO 0.00 -1.21 1.73 -0.24 0.41 0.00 0.00 173.24 173.94 3nrz n SER 1185N 7.09 3.97 0.10 2.44 2.88 -1.25 -3.43 113.62 125.42 3nrz n SER 1185Ca -0.04 1.05 0.06 0.00 -1.33 0.00 0.00 58.87 58.62 3nrz n SER 1185Cb 0.46 -1.57 0.52 0.00 -0.75 0.00 0.00 64.21 62.87 3nrz n SER 1185CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 3nrz h LEU 1186N 6.91 0.27 -6.09 2.46 3.38 -1.90 -3.28 115.31 117.07 3nrz h LEU 1186Ca -0.43 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.49 3nrz h LEU 1186Cb 1.21 -0.07 -0.23 0.00 0.09 0.00 0.00 40.66 41.66 3nrz h LEU 1186CO 0.95 0.19 -0.43 0.21 0.09 0.00 0.00 178.44 179.46 3nrz s ASN 1187N -6.80 -1.04 0.49 -0.43 3.84 -1.26 -0.14 114.94 109.61 3nrz s ASN 1187Ca -0.07 -0.02 0.15 0.00 0.21 0.00 0.00 52.86 53.14 3nrz s ASN 1187Cb 0.17 1.76 1.17 0.00 -0.55 0.00 0.00 41.25 43.81 3nrz s ASN 1187CO 0.71 -0.31 2.10 -0.65 -2.79 0.00 0.00 177.10 176.15 3nrz h PRO 1188N 8.01 0.01 -0.14 0.43 0.11 -1.80 -0.86 132.00 137.77 3nrz h PRO 1188Ca -0.03 -0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.99 3nrz h PRO 1188Cb 1.17 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3nrz h PRO 1188CO 0.18 0.07 -0.26 0.00 -0.21 0.00 0.00 178.00 177.78 3nrz h ALA 1189N 1.94 0.21 -0.30 -0.75 0.00 -1.87 -0.24 119.26 118.25 3nrz h ALA 1189Ca 0.00 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 3nrz h ALA 1189Cb 0.10 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3nrz h ALA 1189CO 0.01 0.20 0.11 0.82 0.00 0.00 0.00 179.25 180.39 3nrz h ILE 1190N 0.01 1.19 -0.49 0.00 1.08 -1.76 -1.81 117.51 115.73 3nrz h ILE 1190Ca 0.01 -0.60 -0.02 0.00 -0.39 0.00 0.00 64.86 63.86 3nrz h ILE 1190Cb 0.84 1.01 -0.02 0.00 -3.07 0.00 0.00 36.82 35.59 3nrz h ILE 1190CO 0.06 0.20 0.24 0.44 -0.69 0.00 0.00 178.15 178.41 3nrz h ASP 1191N 0.34 0.63 -0.75 1.72 3.32 -1.15 -0.40 116.42 120.12 3nrz h ASP 1191Ca 0.10 -0.12 -0.04 0.00 0.02 0.00 0.00 57.03 56.99 3nrz h ASP 1191Cb 0.21 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 3nrz h ASP 1191CO -0.01 0.57 0.33 0.40 -1.72 0.00 0.00 179.24 178.81 3nrz h ILE 1192N 0.65 1.25 -0.75 0.35 2.04 -1.02 -1.13 117.51 118.90 3nrz h ILE 1192Ca 0.17 -0.76 -0.01 0.00 1.00 0.00 0.00 64.86 65.26 3nrz h ILE 1192Cb 0.10 0.31 -0.04 0.00 -0.74 0.00 0.00 36.82 36.46 3nrz h ILE 1192CO -0.02 0.31 0.41 1.23 0.00 0.00 0.00 178.15 180.08 3nrz h GLY 1193N 1.14 1.11 1.06 5.37 0.00 -0.92 -1.01 103.07 109.82 3nrz h GLY 1193Ca 0.26 -0.49 -0.09 0.00 0.00 0.00 0.00 47.33 47.01 3nrz h GLY 1193CO -0.03 0.47 -0.02 1.46 0.00 0.00 0.00 176.54 178.43 3nrz h GLN 1194N 1.04 1.00 0.22 4.80 1.08 -0.56 -1.03 115.11 121.67 3nrz h GLN 1194Ca 0.27 -0.33 -0.01 0.00 -1.45 0.00 0.00 58.65 57.13 3nrz h GLN 1194Cb 0.02 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.37 3nrz h GLN 1194CO -0.04 1.01 -0.10 0.28 -0.95 0.00 0.00 178.83 179.02 3nrz h VAL 1195N 0.89 0.83 -0.50 -0.54 2.07 -0.72 -1.20 116.25 117.08 3nrz h VAL 1195Ca 0.16 -0.25 0.03 0.00 0.82 0.00 0.00 66.70 67.45 3nrz h VAL 1195Cb 0.57 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 31.29 3nrz h VAL 1195CO 0.03 0.06 0.28 -0.33 0.02 0.00 0.00 177.57 177.63 3nrz h GLU 1196N -0.42 0.54 -0.41 1.57 5.08 -1.22 -0.43 114.58 119.29 3nrz h GLU 1196Ca -0.03 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 3nrz h GLU 1196Cb 0.32 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 3nrz h GLU 1196CO 0.05 0.36 0.11 0.78 -1.00 0.00 0.00 179.01 179.30 3nrz h GLY 1197N 0.56 0.70 0.91 -3.84 0.00 -1.14 -1.88 103.07 98.38 3nrz h GLY 1197Ca 0.21 -0.44 -0.04 0.00 0.00 0.00 0.00 47.33 47.06 3nrz h GLY 1197CO -0.11 0.41 0.07 0.00 0.00 0.00 0.00 176.54 176.90 3nrz h ALA 1198N 0.96 0.45 -0.59 3.60 0.00 -1.07 -1.85 119.26 120.76 3nrz h ALA 1198Ca 0.13 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.86 3nrz h ALA 1198Cb 0.30 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3nrz h ALA 1198CO 0.00 0.14 0.37 0.35 0.00 0.00 0.00 179.25 180.12 3nrz h PHE 1199N 0.40 0.70 -0.55 0.00 3.57 -0.96 -1.39 116.94 118.71 3nrz h PHE 1199Ca 0.11 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.54 3nrz h PHE 1199Cb 0.34 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 3nrz h PHE 1199CO 0.02 0.41 0.01 0.28 -2.23 0.00 0.00 178.31 176.81 3nrz h VAL 1200N 0.74 1.25 -0.30 1.41 2.07 -1.16 0.11 116.25 120.38 3nrz h VAL 1200Ca 0.23 -1.06 -0.02 0.00 0.82 0.00 0.00 66.70 66.66 3nrz h VAL 1200Cb -0.02 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 3nrz h VAL 1200CO -0.08 0.38 0.09 1.56 0.02 0.00 0.00 177.57 179.55 3nrz h GLN 1201N 0.86 0.42 -0.17 1.57 4.20 -0.89 0.08 115.11 121.19 3nrz h GLN 1201Ca 0.16 -0.05 -0.11 0.00 0.06 0.00 0.00 58.65 58.71 3nrz h GLN 1201Cb 0.49 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.19 3nrz h GLN 1201CO 0.02 0.38 -0.33 0.78 -0.67 0.00 0.00 178.83 179.01 3nrz h GLY 1202N 0.61 0.57 0.08 3.46 0.00 -0.58 -0.61 103.07 106.60 3nrz h GLY 1202Ca 0.10 -0.68 0.14 0.00 0.00 0.00 0.00 47.33 46.90 3nrz h GLY 1202CO -0.01 0.61 0.19 -2.00 0.00 0.00 0.00 176.54 175.33 3nrz h LEU 1203N 0.16 0.09 0.20 3.11 5.85 -0.50 -0.62 115.31 123.59 3nrz h LEU 1203Ca 0.01 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 3nrz h LEU 1203Cb 0.93 0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.11 3nrz h LEU 1203CO 0.07 0.02 -0.10 1.23 -0.34 0.00 0.00 178.44 179.33 3nrz h GLY 1204N 0.32 -0.28 0.30 3.75 0.00 -0.73 -1.37 103.07 105.05 3nrz h GLY 1204Ca 0.38 0.10 0.08 0.00 0.00 0.00 0.00 47.33 47.90 3nrz h GLY 1204CO -0.44 -0.10 0.03 -2.00 0.00 0.00 0.00 176.54 174.03 3nrz h LEU 1205N -0.31 -0.13 0.00 3.11 5.85 -0.60 0.13 115.31 123.37 3nrz h LEU 1205Ca -0.03 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3nrz h LEU 1205Cb 0.24 0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.43 3nrz h LEU 1205CO 0.05 -0.03 -0.57 -0.26 -0.34 0.00 0.00 178.44 177.29 3nrz h PHE 1206N 0.15 0.00 0.00 1.25 -1.00 -1.08 -3.38 116.94 112.88 3nrz h PHE 1206Ca 0.23 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.01 3nrz h PHE 1206Cb 0.33 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.89 3nrz h PHE 1206CO -0.27 0.00 -0.09 0.25 -1.61 0.00 0.00 178.31 176.59 3nrz n THR 1207N -2.19 0.00 0.00 -1.55 -2.24 -0.52 -0.20 114.28 107.58 3nrz n THR 1207Ca 0.03 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 3nrz n THR 1207Cb 0.45 0.51 0.00 0.00 -2.10 0.00 0.00 70.33 69.19 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 -0.22 1.50 -4.67 3.22 4.32 -0.44 -4.06 117.00 116.65 3nrz n LEU 1208Ca 0.00 0.00 -0.40 0.00 -0.02 0.00 0.00 56.01 55.59 3nrz n LEU 1208Cb 0.00 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 41.74 3nrz n LEU 1208CO 0.00 0.22 0.33 -1.61 -1.22 0.00 0.00 177.39 175.11 3nrz s GLU 1209N -1.64 4.22 -0.08 3.23 2.02 0.32 -4.56 118.70 122.20 3nrz s GLU 1209Ca 0.00 0.56 -0.03 0.00 0.02 0.00 0.00 54.97 55.52 3nrz s GLU 1209Cb 0.00 -3.56 0.05 0.00 0.10 0.00 0.00 34.13 30.71 3nrz s GLU 1209CO 0.00 -0.18 0.13 -2.00 0.02 0.00 0.00 175.26 173.23 3nrz s GLU 1210N 1.73 0.01 -0.02 1.61 2.12 -1.26 -4.65 118.70 118.24 3nrz s GLU 1210Ca 0.28 0.45 -0.16 0.00 0.36 0.00 0.00 54.97 55.89 3nrz s GLU 1210Cb -0.16 -0.49 -0.05 0.00 0.26 0.00 0.00 34.13 33.69 3nrz s GLU 1210CO 0.10 -0.36 0.46 -0.51 -0.54 0.00 0.00 175.26 174.41 3nrz s LEU 1211N 2.25 4.43 -0.04 2.70 1.43 -1.26 -4.87 118.68 123.33 3nrz s LEU 1211Ca 0.04 0.98 0.02 0.00 -1.03 0.00 0.00 54.13 54.14 3nrz s LEU 1211Cb -0.12 -2.67 0.01 0.00 0.03 0.00 0.00 46.19 43.43 3nrz s LEU 1211CO -0.06 0.23 -0.10 -2.28 0.23 0.00 0.00 176.35 174.38 3nrz s HIS 1212N -0.63 1.07 0.09 0.29 2.46 -1.26 -4.97 115.29 112.33 3nrz s HIS 1212Ca 0.25 -0.30 0.10 0.00 0.47 0.00 0.00 55.06 55.58 3nrz s HIS 1212Cb -0.17 -0.78 -0.03 0.00 -0.13 0.00 0.00 32.58 31.47 3nrz s HIS 1212CO 0.14 -0.15 -0.26 0.71 -2.47 0.00 0.00 174.74 172.71 3nrz s TYR 1213N 0.35 2.29 0.91 3.88 1.51 -1.26 0.47 117.35 125.49 3nrz s TYR 1213Ca -0.06 -0.40 -0.11 0.00 -1.01 0.00 0.00 57.07 55.49 3nrz s TYR 1213Cb -0.11 -1.30 0.14 0.00 -0.11 0.00 0.00 41.96 40.58 3nrz s TYR 1213CO 0.01 0.23 1.09 -1.54 -1.11 0.00 0.00 175.55 174.23 3nrz s SER 1214N -1.65 3.26 0.60 2.29 1.04 0.26 -4.88 113.70 114.62 3nrz s SER 1214Ca 0.13 1.70 0.32 0.00 0.48 0.00 0.00 55.95 58.57 3nrz s SER 1214Cb -0.10 -2.34 1.90 0.00 0.10 0.00 0.00 66.02 65.58 3nrz s SER 1214CO 0.04 -2.80 2.27 -0.65 0.98 0.00 0.00 173.24 173.07 3nrz h PRO 1215N -1.66 0.00 -0.05 4.02 0.11 -2.01 -0.12 132.00 132.29 3nrz h PRO 1215Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3nrz h PRO 1215Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3nrz h PRO 1215CO 0.51 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.69 3nrz n GLU 1216N -3.76 1.20 -0.98 1.05 4.71 -1.26 -4.91 120.64 116.69 3nrz n GLU 1216Ca -0.03 -0.30 0.00 0.00 -0.01 0.00 0.00 57.16 56.82 3nrz n GLU 1216Cb 0.09 -1.27 0.00 0.00 -1.01 0.00 0.00 31.44 29.25 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 0.83 0.43 3.68 0.62 0.00 -0.06 -4.29 105.19 106.41 3nrz n GLY 1217Ca 0.12 -1.00 -0.37 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.92 6.22 0.09 1.61 0.15 -1.25 -4.63 113.70 112.97 3nrz s SER 1218Ca 0.00 0.24 -0.31 0.00 0.70 0.00 0.00 55.95 56.59 3nrz s SER 1218Cb 0.00 -2.13 -0.09 0.00 -1.71 0.00 0.00 66.02 62.09 3nrz s SER 1218CO 0.00 0.06 1.62 -0.22 1.20 0.00 0.00 173.24 175.90 3nrz s LEU 1219N 0.93 4.37 -0.01 3.45 2.96 -1.26 -0.58 118.68 128.54 3nrz s LEU 1219Ca 0.11 2.51 0.02 0.00 -0.22 0.00 0.00 54.13 56.55 3nrz s LEU 1219Cb -0.13 -3.57 -0.25 0.00 0.50 0.00 0.00 46.19 42.73 3nrz s LEU 1219CO 0.04 -0.87 0.78 0.45 -1.32 0.00 0.00 176.35 175.44 3nrz h HIS 1220N 7.92 0.28 -3.11 5.38 3.86 -0.33 -3.45 115.15 125.70 3nrz h HIS 1220Ca -0.43 -0.20 -0.75 0.00 -1.16 0.00 0.00 60.37 57.83 3nrz h HIS 1220Cb 1.20 -0.01 -0.23 0.00 1.06 0.00 0.00 27.41 29.43 3nrz h HIS 1220CO 0.74 1.29 -0.10 0.95 0.86 0.00 0.00 177.93 181.68 3nrz s THR 1221N -2.61 5.15 -0.10 2.45 -4.23 -1.23 -4.86 115.64 110.21 3nrz s THR 1221Ca -0.08 -1.48 0.13 0.00 -1.18 0.00 0.00 61.69 59.08 3nrz s THR 1221Cb 0.07 -4.39 0.25 0.00 1.34 0.00 0.00 72.50 69.77 3nrz s THR 1221CO 0.83 -0.95 1.12 0.54 -0.54 0.00 0.00 174.62 175.62 3nrz n ARG 1222N 5.39 0.87 -3.70 3.99 1.74 -1.26 -4.86 116.66 118.83 3nrz n ARG 1222Ca -0.10 -2.22 0.01 0.00 -0.77 0.00 0.00 57.85 54.78 3nrz n ARG 1222Cb 0.41 -1.11 -0.00 0.00 -1.02 0.00 0.00 32.46 30.74 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 -2.35 -0.34 0.66 -0.13 0.00 -1.26 -3.62 107.32 100.27 3nrz s GLY 1223Ca 0.25 0.52 0.42 0.00 0.00 0.00 0.00 44.72 45.91 3nrz s GLY 1223CO -0.01 1.27 2.36 -0.56 0.00 0.00 0.00 173.10 176.16 3nrz h PRO 1224N 2.00 0.00 0.00 2.90 0.13 -1.98 0.25 132.00 135.30 3nrz h PRO 1224Ca -0.29 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.74 3nrz h PRO 1224Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 3nrz h PRO 1224CO 0.29 0.00 -0.47 0.66 -0.23 0.00 0.00 178.00 178.26 3nrz h SER 1225N 0.00 0.00 0.00 1.44 4.64 -2.02 -3.32 113.55 114.29 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 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3nrz h SER 1225CO 0.00 0.47 0.00 0.35 -0.87 0.00 0.00 176.83 176.78 3nrz n THR 1226N -3.78 0.00 -3.88 2.95 -2.24 -0.76 -4.93 114.28 101.64 3nrz n THR 1226Ca -0.01 -0.49 -0.28 0.00 -2.27 0.00 0.00 64.05 60.99 3nrz n THR 1226Cb 0.52 1.01 -0.16 0.00 -2.10 0.00 0.00 70.33 69.59 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 -0.57 1.71 -0.42 4.78 5.04 0.01 -4.82 117.35 123.07 3nrz s TYR 1227Ca 0.00 -1.13 -0.11 0.00 -2.44 0.00 0.00 57.07 53.39 3nrz s TYR 1227Cb 0.00 -1.31 0.06 0.00 0.35 0.00 0.00 41.96 41.06 3nrz s TYR 1227CO 0.00 -0.63 0.27 0.15 -1.34 0.00 0.00 175.55 174.00 3nrz s LYS 1228N 1.63 2.74 0.50 4.97 -0.14 -1.26 -4.24 119.74 123.94 3nrz s LYS 1228Ca -0.00 -1.32 -0.05 0.00 -1.36 0.00 0.00 55.97 53.23 3nrz s LYS 1228Cb -0.16 -3.83 -0.03 0.00 -1.68 0.00 0.00 37.83 32.13 3nrz s LYS 1228CO -0.07 -0.89 0.80 0.96 -0.76 0.00 0.00 175.35 175.39 3nrz s ILE 1229N 1.51 4.66 0.24 2.17 -4.36 -1.26 -3.81 121.20 120.34 3nrz s ILE 1229Ca 0.03 0.15 -0.30 0.00 -0.26 0.00 0.00 60.65 60.26 3nrz s ILE 1229Cb -0.22 -3.78 -0.15 0.00 1.25 0.00 0.00 42.46 39.56 3nrz s ILE 1229CO 0.04 -0.77 1.12 -2.65 0.24 0.00 0.00 174.94 172.92 3nrz n PRO 1230N -2.32 1.37 -4.06 0.37 -0.02 -1.26 -5.01 135.00 124.08 3nrz n PRO 1230Ca 0.01 0.48 -0.25 0.00 -2.02 0.00 0.00 63.50 61.73 3nrz n PRO 1230Cb 0.56 -1.94 -0.06 0.00 -0.02 0.00 0.00 33.50 32.04 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 -0.60 3.81 0.24 3.55 0.00 -1.26 -4.97 121.76 122.53 3nrz s ALA 1231Ca 0.65 -1.84 -0.07 0.00 0.00 0.00 0.00 51.96 50.70 3nrz s ALA 1231Cb -0.75 -0.49 0.41 0.00 0.00 0.00 0.00 23.12 22.29 3nrz s ALA 1231CO 0.56 -0.21 1.68 0.74 0.00 0.00 0.00 175.76 178.52 3nrz h PHE 1232N 1.26 0.18 0.00 0.00 -1.00 -2.00 0.15 116.94 115.54 3nrz h PHE 1232Ca -0.42 0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.41 3nrz h PHE 1232Cb 1.27 0.03 0.00 0.00 3.61 0.00 0.00 35.95 40.85 3nrz h PHE 1232CO 0.72 -0.11 0.00 0.41 -1.61 0.00 0.00 178.31 177.72 3nrz n GLY 1233N -1.36 -0.84 0.16 -1.45 0.00 -1.26 -3.58 105.19 96.86 3nrz n GLY 1233Ca 0.13 -0.05 0.08 0.00 0.00 0.00 0.00 46.02 46.18 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 -4.21 1.61 0.02 -1.06 -3.48 113.55 106.42 3nrz h SER 1234Ca 0.00 0.00 -0.48 0.00 -0.84 0.00 0.00 61.79 60.47 3nrz h SER 1234Cb 0.18 0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.74 3nrz h SER 1234CO 0.00 0.19 0.38 0.27 -1.14 0.00 0.00 176.83 176.53 3nrz s ILE 1235N -3.16 4.48 0.35 3.27 -4.36 -1.23 -4.72 121.20 115.83 3nrz s ILE 1235Ca 0.03 1.14 -0.28 0.00 -0.26 0.00 0.00 60.65 61.29 3nrz s ILE 1235Cb 0.07 -3.70 -0.12 0.00 1.25 0.00 0.00 42.46 39.96 3nrz s ILE 1235CO 0.74 -0.72 1.27 -2.65 0.24 0.00 0.00 174.94 173.82 3nrz n PRO 1236N -1.76 2.07 -0.20 0.37 -0.02 -1.26 -4.83 135.00 129.37 3nrz n PRO 1236Ca 0.07 0.73 -0.04 0.00 -2.02 0.00 0.00 63.50 62.24 3nrz n PRO 1236Cb 0.54 -2.32 0.06 0.00 -0.02 0.00 0.00 33.50 31.77 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 2.45 1.01 -3.46 3.45 2.02 -1.24 -3.36 112.91 113.78 3nrz h THR 1237Ca -0.46 -0.22 -0.65 0.00 0.77 0.00 0.00 66.41 65.84 3nrz h THR 1237Cb 1.29 0.31 -0.26 0.00 -1.74 0.00 0.00 68.15 67.74 3nrz h THR 1237CO 0.62 0.12 -0.69 -1.61 0.37 0.00 0.00 175.52 174.32 3nrz s GLU 1238N -6.12 3.47 -0.29 6.66 0.41 -0.88 -5.01 118.70 116.93 3nrz s GLU 1238Ca -0.13 -0.58 -0.01 0.00 -0.41 0.00 0.00 54.97 53.84 3nrz s GLU 1238Cb 0.14 -3.08 0.09 0.00 -1.78 0.00 0.00 34.13 29.51 3nrz s GLU 1238CO 0.75 -0.16 0.09 0.12 -0.49 0.00 0.00 175.26 175.56 3nrz s PHE 1239N 1.43 1.57 -0.15 1.61 5.99 -1.26 -0.91 117.98 126.27 3nrz s PHE 1239Ca 0.05 -1.59 -0.00 0.00 0.00 0.00 0.00 56.93 55.39 3nrz s PHE 1239Cb -0.14 -1.58 -0.01 0.00 0.00 0.00 0.00 43.02 41.28 3nrz s PHE 1239CO -0.01 -0.84 -0.14 1.03 -0.00 0.00 0.00 175.22 175.26 3nrz s ARG 1240N 1.66 3.29 -0.07 10.12 0.52 0.09 -5.00 118.95 129.56 3nrz s ARG 1240Ca 0.08 -0.72 0.05 0.00 -0.52 0.00 0.00 55.73 54.61 3nrz s ARG 1240Cb -0.17 -2.64 -0.00 0.00 0.52 0.00 0.00 34.95 32.66 3nrz s ARG 1240CO -0.23 0.09 -0.22 0.08 0.02 0.00 0.00 175.30 175.04 3nrz s VAL 1241N 0.65 1.82 -0.01 3.52 1.01 -1.26 -0.58 120.40 125.55 3nrz s VAL 1241Ca -0.07 -0.91 0.06 0.00 0.00 0.00 0.00 61.98 61.06 3nrz s VAL 1241Cb -0.16 -1.57 -0.02 0.00 0.00 0.00 0.00 36.38 34.64 3nrz s VAL 1241CO 0.02 0.51 -0.21 -0.44 0.00 0.00 0.00 175.10 174.98 3nrz s SER 1242N 0.15 2.46 -0.12 3.32 0.01 -0.18 -4.98 113.70 114.35 3nrz s SER 1242Ca -0.10 -0.38 -0.13 0.00 1.31 0.00 0.00 55.95 56.64 3nrz s SER 1242Cb -0.15 -0.27 -0.05 0.00 0.21 0.00 0.00 66.02 65.76 3nrz s SER 1242CO 0.05 0.25 0.30 -0.76 0.41 0.00 0.00 173.24 173.50 3nrz s LEU 1243N -0.52 4.31 0.30 2.44 1.43 -1.26 -1.44 118.68 123.94 3nrz s LEU 1243Ca 0.08 0.61 -0.30 0.00 -1.03 0.00 0.00 54.13 53.49 3nrz s LEU 1243Cb -0.08 -2.39 -0.11 0.00 0.03 0.00 0.00 46.19 43.64 3nrz s LEU 1243CO -0.01 0.18 1.56 -0.22 0.23 0.00 0.00 176.35 178.10 3nrz s LEU 1244N -0.05 4.34 0.37 1.79 2.96 0.37 -4.91 118.68 123.55 3nrz s LEU 1244Ca 0.18 2.94 -0.07 0.00 -0.22 0.00 0.00 54.13 56.96 3nrz s LEU 1244Cb -0.14 -3.64 -0.05 0.00 0.50 0.00 0.00 46.19 42.86 3nrz s LEU 1244CO 0.06 -0.89 0.68 -0.13 -1.32 0.00 0.00 176.35 174.75 3nrz s ARG 1245N -0.74 3.69 -1.22 1.98 0.52 -1.26 -4.60 118.95 117.32 3nrz s ARG 1245Ca 0.61 0.23 -0.11 0.00 -0.52 0.00 0.00 55.73 55.94 3nrz s ARG 1245Cb -0.47 -2.50 -0.01 0.00 0.52 0.00 0.00 34.95 32.49 3nrz s ARG 1245CO 0.50 0.05 0.71 -0.25 0.02 0.00 0.00 175.30 176.33 3nrz n ASP 1246N -1.28 -3.57 -3.15 0.23 8.00 -1.26 -4.95 116.55 110.57 3nrz n ASP 1246Ca 0.00 -0.94 -0.18 0.00 0.71 0.00 0.00 54.79 54.38 3nrz n ASP 1246Cb 0.54 -3.63 -0.03 0.00 -0.02 0.00 0.00 41.12 37.98 3nrz n ASP 1246CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3nrz n PRO 1248N 0.45 2.71 -3.36 0.00 -0.04 -1.26 -3.99 135.00 129.50 3nrz n PRO 1248Ca 0.23 0.95 -0.42 0.00 -0.04 0.00 0.00 63.50 64.22 3nrz n PRO 1248Cb 0.65 -2.69 -0.09 0.00 -0.04 0.00 0.00 33.50 31.33 3nrz n PRO 1248CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 3nrz s ASN 1249N -0.11 6.19 0.51 3.54 2.47 -0.24 -4.91 114.94 122.38 3nrz s ASN 1249Ca 0.53 -0.48 0.34 0.00 0.42 0.00 0.00 52.86 53.67 3nrz s ASN 1249Cb -0.47 -2.21 1.55 0.00 -1.45 0.00 0.00 41.25 38.67 3nrz s ASN 1249CO 0.64 -0.46 2.00 0.11 -3.72 0.00 0.00 177.10 175.67 3nrz h LYS 1250N 8.60 0.00 -0.00 0.43 1.57 -1.91 -3.23 116.57 122.03 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 1.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.44 3nrz h LYS 1250CO 0.75 0.00 -0.35 1.63 -0.57 0.00 0.00 179.45 180.91 3nrz n LYS 1251N -2.85 0.32 -4.28 3.15 4.76 -1.26 -4.95 118.16 113.05 3nrz n LYS 1251Ca -0.00 -0.17 -0.15 0.00 -2.87 0.00 0.00 58.31 55.11 3nrz n LYS 1251Cb 0.21 -1.50 -0.10 0.00 -1.84 0.00 0.00 35.03 31.80 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 -2.80 1.55 -0.11 7.82 0.00 -1.22 -5.07 121.76 121.93 3nrz s ALA 1252Ca 0.17 -1.78 -0.37 0.00 0.00 0.00 0.00 51.96 49.98 3nrz s ALA 1252Cb 0.18 0.99 -0.15 0.00 0.00 0.00 0.00 23.12 24.15 3nrz s ALA 1252CO 0.61 -0.45 1.69 1.51 0.00 0.00 0.00 175.76 179.11 3nrz n ILE 1253N -0.38 0.29 -3.61 0.00 0.13 -1.26 -1.72 119.36 112.80 3nrz n ILE 1253Ca -0.01 -0.05 -0.27 0.00 -1.10 0.00 0.00 62.75 61.32 3nrz n ILE 1253Cb 0.66 -1.35 -0.01 0.00 -0.84 0.00 0.00 39.64 38.09 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 4.95 -1.78 -1.28 9.51 0.53 -1.26 -2.10 117.16 125.73 3nrz n TYR 1254Ca 0.23 0.56 -0.10 0.00 -1.02 0.00 0.00 57.90 57.57 3nrz n TYR 1254Cb 0.20 -2.87 -0.04 0.00 -1.03 0.00 0.00 39.34 35.60 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 -3.76 -0.15 -1.92 -0.72 0.00 -0.70 -4.72 120.51 108.55 3nrz n ALA 1255Ca 0.02 0.15 -0.27 0.00 0.00 0.00 0.00 53.44 53.35 3nrz n ALA 1255Cb 0.52 -1.32 0.08 0.00 0.00 0.00 0.00 19.45 18.73 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 -2.65 4.71 0.07 0.00 1.04 -0.89 -0.36 113.70 115.61 3nrz s SER 1256Ca 0.00 0.53 0.03 0.00 0.48 0.00 0.00 55.95 57.00 3nrz s SER 1256Cb 0.00 -1.13 -0.03 0.00 0.10 0.00 0.00 66.02 64.96 3nrz s SER 1256CO 0.00 -1.70 -0.10 -0.54 0.98 0.00 0.00 173.24 171.88 3nrz s LYS 1257N -5.34 0.73 0.45 4.02 1.02 -0.76 -4.40 119.74 115.45 3nrz s LYS 1257Ca 0.61 -0.98 -0.25 0.00 0.02 0.00 0.00 55.97 55.37 3nrz s LYS 1257Cb -0.11 -0.50 -0.09 0.00 -0.52 0.00 0.00 37.83 36.61 3nrz s LYS 1257CO 0.46 0.09 1.32 0.00 -0.92 0.00 0.00 175.35 176.30 3nrz n ALA 1258N 1.01 1.53 0.00 5.17 0.00 -1.26 -4.80 120.51 122.15 3nrz n ALA 1258Ca -0.19 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3nrz n ALA 1258Cb 0.56 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.70 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 -0.35 0.00 0.23 0.00 3.14 -1.26 -4.86 118.33 115.23 3nrz n VAL 1259Ca 0.07 -0.16 -0.15 0.00 -2.96 0.00 0.00 64.34 61.14 3nrz n VAL 1259Cb 0.41 0.87 -0.08 0.00 -1.06 0.00 0.00 33.84 33.98 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 -0.67 0.20 7.55 0.00 -1.92 -3.37 103.07 104.86 3nrz h GLY 1260Ca 0.00 0.30 -0.38 0.00 0.00 0.00 0.00 47.33 47.25 3nrz h GLY 1260CO 0.00 -0.26 -2.32 1.18 0.00 0.00 0.00 176.54 175.15 3nrz n GLU 1261N -5.40 0.68 -0.33 4.80 1.02 -1.26 -4.61 120.64 115.55 3nrz n GLU 1261Ca -0.10 0.17 0.21 0.00 -0.02 0.00 0.00 57.16 57.42 3nrz n GLU 1261Cb 0.30 -1.58 0.43 0.00 -0.02 0.00 0.00 31.44 30.57 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 0.02 0.33 0.00 3.49 0.11 -1.90 -2.03 132.00 132.02 3nrz h PRO 1262Ca -0.53 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.56 3nrz h PRO 1262Cb 1.97 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 33.00 3nrz h PRO 1262CO -0.03 0.22 0.00 -2.30 -0.21 0.00 0.00 178.00 175.68 3nrz n PRO 1263N -5.06 0.09 -0.30 1.05 -0.02 -1.26 -3.95 135.00 125.54 3nrz n PRO 1263Ca 0.29 0.21 -0.04 0.00 -2.02 0.00 0.00 63.50 61.94 3nrz n PRO 1263Cb 0.90 -1.64 0.08 0.00 -0.02 0.00 0.00 33.50 32.82 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 0.97 -2.13 2.45 6.46 -1.54 -1.03 115.31 120.49 3nrz h LEU 1264Ca 0.00 -0.04 -0.02 0.00 -0.12 0.00 0.00 57.88 57.70 3nrz h LEU 1264Cb 0.44 -0.24 -0.00 0.00 -0.73 0.00 0.00 40.66 40.12 3nrz h LEU 1264CO 0.00 0.73 -0.07 0.15 -0.62 0.00 0.00 178.44 178.62 3nrz h PHE 1265N 1.13 0.00 -0.00 1.25 3.57 -1.78 -1.92 116.94 119.19 3nrz h PHE 1265Ca 0.30 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.80 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 -0.01 0.07 0.01 -0.07 -2.23 0.00 0.00 178.31 176.08 3nrz h LEU 1266N 0.00 0.00 -1.94 0.59 3.38 -1.42 0.58 115.31 116.49 3nrz h LEU 1266Ca -0.00 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.09 3nrz h LEU 1266Cb 0.20 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3nrz h LEU 1266CO 0.01 0.00 0.47 1.23 0.09 0.00 0.00 178.44 180.24 3nrz h GLY 1267N 0.00 0.00 2.00 0.83 0.00 -1.47 -1.01 103.07 103.42 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 1.01 -0.83 3.60 0.00 -1.08 -1.97 119.26 121.44 3nrz h ALA 1268Ca 0.20 -0.00 0.15 0.00 0.00 0.00 0.00 54.91 55.26 3nrz h ALA 1268Cb 1.14 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.87 3nrz h ALA 1268CO -0.00 0.00 0.55 0.66 0.00 0.00 0.00 179.25 180.46 3nrz h SER 1269N 0.00 0.54 -0.40 0.00 4.64 -1.38 -0.10 113.55 116.85 3nrz h SER 1269Ca -0.00 0.03 -0.06 0.00 -0.47 0.00 0.00 61.79 61.30 3nrz h SER 1269Cb 0.14 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 3nrz h SER 1269CO 0.00 0.27 0.03 0.58 -0.87 0.00 0.00 176.83 176.84 3nrz h VAL 1270N 0.57 1.25 -0.29 0.95 2.07 -1.57 -0.64 116.25 118.59 3nrz h VAL 1270Ca 0.42 -0.95 0.02 0.00 0.82 0.00 0.00 66.70 67.00 3nrz h VAL 1270Cb 0.78 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 3nrz h VAL 1270CO -0.17 0.32 0.15 0.15 0.02 0.00 0.00 177.57 178.04 3nrz h PHE 1271N 0.52 0.27 0.00 1.57 3.57 -1.27 -0.04 116.94 121.57 3nrz h PHE 1271Ca 0.12 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.52 3nrz h PHE 1271Cb 0.43 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 3nrz h PHE 1271CO 0.03 0.15 -0.50 0.74 -2.23 0.00 0.00 178.31 176.51 3nrz h PHE 1272N 0.31 0.00 -0.60 0.41 -1.00 -0.97 -0.65 116.94 114.43 3nrz h PHE 1272Ca 0.12 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.83 3nrz h PHE 1272Cb 0.03 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.57 3nrz h PHE 1272CO -0.09 0.50 0.12 0.00 -1.61 0.00 0.00 178.31 177.22 3nrz h ALA 1273N 1.50 0.80 -0.68 2.45 0.00 -0.93 -1.65 119.26 120.75 3nrz h ALA 1273Ca -0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 3nrz h ALA 1273Cb 1.13 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 3nrz h ALA 1273CO 0.06 0.53 0.40 0.82 0.00 0.00 0.00 179.25 181.06 3nrz h ILE 1274N 0.89 1.20 -0.42 0.00 2.04 -0.47 -1.69 117.51 119.06 3nrz h ILE 1274Ca 0.19 -0.46 -0.06 0.00 1.00 0.00 0.00 64.86 65.53 3nrz h ILE 1274Cb 0.39 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 3nrz h ILE 1274CO 0.01 0.21 0.02 0.50 0.00 0.00 0.00 178.15 178.89 3nrz h LYS 1275N 0.92 0.66 0.01 2.37 3.64 -1.01 -0.41 116.57 122.75 3nrz h LYS 1275Ca 0.24 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3nrz h LYS 1275Cb -0.01 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 3nrz h LYS 1275CO -0.04 0.67 -0.00 0.22 -2.27 0.00 0.00 179.45 178.02 3nrz h ASP 1276N 0.63 -0.01 -0.94 4.20 3.58 -1.07 -1.43 116.42 121.38 3nrz h ASP 1276Ca 0.13 -0.02 0.02 0.00 0.42 0.00 0.00 57.03 57.58 3nrz h ASP 1276Cb 0.36 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.36 3nrz h ASP 1276CO 0.01 0.02 0.62 0.00 -2.88 0.00 0.00 179.24 177.01 3nrz h ALA 1277N 0.96 1.21 -0.28 -0.78 0.00 -0.76 -2.11 119.26 117.50 3nrz h ALA 1277Ca -0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3nrz h ALA 1277Cb 0.03 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 3nrz h ALA 1277CO 0.00 0.57 0.15 0.82 0.00 0.00 0.00 179.25 180.79 3nrz h ILE 1278N 1.26 1.14 -0.65 0.00 2.04 -0.99 -0.01 117.51 120.29 3nrz h ILE 1278Ca 0.35 -0.37 0.14 0.00 1.00 0.00 0.00 64.86 65.98 3nrz h ILE 1278Cb -0.11 0.86 -0.11 0.00 -0.74 0.00 0.00 36.82 36.73 3nrz h ILE 1278CO -0.09 0.14 0.04 -0.09 0.00 0.00 0.00 178.15 178.15 3nrz h ARG 1279N 0.34 0.15 -0.78 2.37 2.43 -0.97 0.28 114.38 118.20 3nrz h ARG 1279Ca 0.10 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.22 3nrz h ARG 1279Cb 0.09 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.57 3nrz h ARG 1279CO -0.01 0.10 0.35 0.00 -1.51 0.00 0.00 179.97 178.90 3nrz h ALA 1280N 1.58 1.01 -0.75 2.80 0.00 -0.97 -1.39 119.26 121.54 3nrz h ALA 1280Ca 0.35 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3nrz h ALA 1280Cb 0.57 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 3nrz h ALA 1280CO -0.53 0.60 0.41 0.00 0.00 0.00 0.00 179.25 179.73 3nrz h ALA 1281N 1.18 0.97 -0.32 0.00 0.00 0.40 -1.58 119.26 119.91 3nrz h ALA 1281Ca 0.27 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 3nrz h ALA 1281Cb 0.16 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3nrz h ALA 1281CO -0.03 0.48 -0.33 0.00 0.00 0.00 0.00 179.25 179.37 3nrz h ARG 1282N 1.04 0.69 -0.31 0.00 3.08 -0.23 -1.29 114.38 117.35 3nrz h ARG 1282Ca 0.26 -0.32 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 3nrz h ARG 1282Cb 0.04 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 3nrz h ARG 1282CO -0.04 0.93 0.02 0.00 -1.07 0.00 0.00 179.97 179.81 3nrz h ALA 1283N 1.05 1.45 0.18 0.04 0.00 -1.15 0.12 119.26 120.94 3nrz h ALA 1283Ca 0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3nrz h ALA 1283Cb 0.84 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3nrz h ALA 1283CO 0.07 0.39 -0.08 0.37 0.00 0.00 0.00 179.25 180.00 3nrz h GLN 1284N 0.46 -0.23 0.00 0.00 5.75 -0.63 -3.43 115.11 117.03 3nrz h GLN 1284Ca 0.10 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.62 3nrz h GLN 1284Cb 0.27 0.05 0.00 0.00 1.07 0.00 0.00 27.48 28.87 3nrz h GLN 1284CO 0.01 0.14 -0.99 0.72 -2.65 0.00 0.00 178.83 176.05 3nrz n HIS 1285N -5.02 0.00 0.00 3.99 8.25 -0.55 -4.98 115.22 116.91 3nrz n HIS 1285Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 3nrz n HIS 1285Cb 0.24 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.35 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 -1.53 0.00 -1.18 1.59 -2.24 0.41 -2.60 114.28 108.73 3nrz n THR 1286Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3nrz n THR 1286Cb 0.04 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 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 0.00 -0.45 3.42 6.94 -1.17 -3.48 115.26 120.52 3nrz n ASN 1287Ca 0.00 -0.24 0.04 0.00 -0.02 0.00 0.00 54.58 54.36 3nrz n ASN 1287Cb 0.00 0.00 0.09 0.00 -2.36 0.00 0.00 39.78 37.51 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 -0.73 2.43 -4.49 0.53 3.02 -1.26 -4.48 115.26 110.28 3nrz n ASN 1288Ca 0.00 -1.81 -0.43 0.00 -0.03 0.00 0.00 54.58 52.31 3nrz n ASN 1288Cb 0.00 -0.13 -0.04 0.00 -0.61 0.00 0.00 39.78 39.00 3nrz n ASN 1288CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3nrz s ASN 1289N -0.92 6.25 0.51 6.41 3.84 -1.26 -4.90 114.94 124.87 3nrz s ASN 1289Ca 0.16 -0.69 0.30 0.00 0.21 0.00 0.00 52.86 52.84 3nrz s ASN 1289Cb 0.09 -2.43 1.21 0.00 -0.55 0.00 0.00 41.25 39.57 3nrz s ASN 1289CO 0.12 -1.34 1.93 0.74 -2.79 0.00 0.00 177.10 175.75 3nrz h THR 1290N 5.99 0.22 -0.35 -5.21 2.02 -1.98 -2.91 112.91 110.69 3nrz h THR 1290Ca -0.28 -0.73 0.00 0.00 0.77 0.00 0.00 66.41 66.18 3nrz h THR 1290Cb 1.07 1.60 0.00 0.00 -1.74 0.00 0.00 68.15 69.08 3nrz h THR 1290CO 1.14 0.08 0.00 0.29 0.37 0.00 0.00 175.52 177.40 3nrz n LYS 1291N -3.22 3.21 -2.18 6.66 5.02 -1.26 -4.95 118.16 121.43 3nrz n LYS 1291Ca 0.00 -2.71 -0.42 0.00 -2.02 0.00 0.00 58.31 53.16 3nrz n LYS 1291Cb 0.35 -1.77 -0.03 0.00 -0.02 0.00 0.00 35.03 33.56 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 -2.33 4.35 -0.22 1.97 2.12 -1.10 -4.64 118.70 118.87 3nrz s GLU 1292Ca 0.40 2.08 -0.08 0.00 0.36 0.00 0.00 54.97 57.73 3nrz s GLU 1292Cb 0.30 -3.21 -0.04 0.00 0.26 0.00 0.00 34.13 31.44 3nrz s GLU 1292CO 0.13 -0.33 0.09 -0.51 -0.54 0.00 0.00 175.26 174.10 3nrz s LEU 1293N 0.30 3.82 0.05 2.70 1.43 -1.26 -5.02 118.68 120.69 3nrz s LEU 1293Ca 0.60 0.02 0.09 0.00 -1.03 0.00 0.00 54.13 53.80 3nrz s LEU 1293Cb -0.37 -2.00 -0.03 0.00 0.03 0.00 0.00 46.19 43.82 3nrz s LEU 1293CO 0.36 0.09 -0.25 0.72 0.23 0.00 0.00 176.35 177.49 3nrz s PHE 1294N 0.89 2.20 -0.09 0.29 -0.12 -1.26 -5.12 117.98 114.78 3nrz s PHE 1294Ca 0.05 -0.40 -0.28 0.00 -0.05 0.00 0.00 56.93 56.24 3nrz s PHE 1294Cb -0.13 -1.32 -0.02 0.00 -0.63 0.00 0.00 43.02 40.92 3nrz s PHE 1294CO 0.03 0.12 0.94 0.50 -0.05 0.00 0.00 175.22 176.75 3nrz s ARG 1295N -1.23 4.44 -0.21 1.99 3.52 -1.26 -5.03 118.95 121.17 3nrz s ARG 1295Ca 0.11 1.28 0.00 0.00 -0.13 0.00 0.00 55.73 56.99 3nrz s ARG 1295Cb -0.10 -3.52 0.05 0.00 -1.56 0.00 0.00 34.95 29.83 3nrz s ARG 1295CO 0.02 -0.21 -0.06 -1.17 -0.81 0.00 0.00 175.30 173.07 3nrz s LEU 1296N 1.66 2.26 0.64 -0.88 2.96 -1.26 -5.08 118.68 118.98 3nrz s LEU 1296Ca 0.46 -1.00 -0.08 0.00 -0.22 0.00 0.00 54.13 53.29 3nrz s LEU 1296Cb -0.19 -1.12 0.01 0.00 0.50 0.00 0.00 46.19 45.39 3nrz s LEU 1296CO 0.19 -0.21 0.98 -1.81 -1.32 0.00 0.00 176.35 174.19 3nrz s ASP 1297N 1.46 5.58 -0.02 3.68 1.01 -1.26 -4.91 116.67 122.20 3nrz s ASP 1297Ca -0.03 0.92 -0.01 0.00 0.71 0.00 0.00 52.55 54.14 3nrz s ASP 1297Cb -0.17 -1.85 -0.04 0.00 1.01 0.00 0.00 42.92 41.87 3nrz s ASP 1297CO -0.07 -1.16 0.08 -0.55 0.21 0.00 0.00 175.17 173.68 3nrz s SER 1298N -4.32 5.71 0.45 0.27 0.15 -0.69 -3.89 113.70 111.38 3nrz s SER 1298Ca 0.55 0.18 -0.21 0.00 0.70 0.00 0.00 55.95 57.17 3nrz s SER 1298Cb -0.11 -1.66 -0.10 0.00 -1.71 0.00 0.00 66.02 62.44 3nrz s SER 1298CO 0.48 0.29 0.99 -2.16 1.20 0.00 0.00 173.24 174.05 3nrz s PRO 1299N -1.60 4.04 -1.39 5.44 0.04 -1.26 -1.05 135.00 139.21 3nrz s PRO 1299Ca 0.21 1.23 -0.14 0.00 0.04 0.00 0.00 61.00 62.35 3nrz s PRO 1299Cb -0.12 -2.15 0.07 0.00 0.04 0.00 0.00 34.50 32.34 3nrz s PRO 1299CO 0.12 -0.21 2.04 0.00 0.04 0.00 0.00 177.00 178.99 3nrz n ALA 1300N -0.77 5.01 -1.32 8.56 0.00 0.72 -4.87 120.51 127.83 3nrz n ALA 1300Ca 0.08 -3.94 -0.30 0.00 0.00 0.00 0.00 53.44 49.28 3nrz n ALA 1300Cb 0.53 -3.47 0.13 0.00 0.00 0.00 0.00 19.45 16.64 3nrz n ALA 1300CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3nrz s THR 1301N 3.03 2.64 0.32 0.00 -4.23 -1.26 -4.70 115.64 111.43 3nrz s THR 1301Ca 0.48 0.21 0.07 0.00 -1.18 0.00 0.00 61.69 61.26 3nrz s THR 1301Cb 0.11 -2.78 0.31 0.00 1.34 0.00 0.00 72.50 71.47 3nrz s THR 1301CO -0.04 -0.27 1.81 -0.65 -0.54 0.00 0.00 174.62 174.93 3nrz h PRO 1302N -1.47 0.75 -0.07 3.99 0.11 -1.86 -1.39 132.00 132.06 3nrz h PRO 1302Ca -0.50 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 65.61 3nrz h PRO 1302Cb 1.29 -0.17 -0.05 0.00 0.11 0.00 0.00 31.00 32.18 3nrz h PRO 1302CO 0.57 0.49 -0.27 1.49 -0.21 0.00 0.00 178.00 180.07 3nrz h GLU 1303N 0.77 -0.36 -0.54 1.05 4.81 -1.88 0.14 114.58 118.57 3nrz h GLU 1303Ca 0.54 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.78 3nrz h GLU 1303Cb 0.82 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.26 3nrz h GLU 1303CO -0.31 -0.24 0.30 0.87 -0.73 0.00 0.00 179.01 178.89 3nrz h LYS 1304N -0.38 0.75 0.30 1.92 1.57 -1.74 -1.19 116.57 117.80 3nrz h LYS 1304Ca 0.08 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3nrz h LYS 1304Cb 0.50 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.66 3nrz h LYS 1304CO -0.29 0.58 -0.14 0.82 -0.57 0.00 0.00 179.45 179.85 3nrz h ILE 1305N 0.73 0.73 -0.26 1.86 2.04 -1.14 -2.00 117.51 119.46 3nrz h ILE 1305Ca 0.19 -0.24 0.04 0.00 1.00 0.00 0.00 64.86 65.85 3nrz h ILE 1305Cb 0.04 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 36.95 3nrz h ILE 1305CO -0.03 0.05 0.04 -0.09 0.00 0.00 0.00 178.15 178.12 3nrz h ARG 1306N -0.53 0.13 0.00 2.37 9.65 -0.95 -2.09 114.38 122.96 3nrz h ARG 1306Ca -0.04 -0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 58.83 3nrz h ARG 1306Cb 0.39 -0.03 -0.00 0.00 -1.39 0.00 0.00 29.97 28.94 3nrz h ARG 1306CO 0.07 0.09 -0.02 -0.91 2.80 0.00 0.00 179.97 182.00 3nrz h ASN 1307N 0.14 0.00 1.10 -3.80 2.35 -1.18 -2.38 115.58 111.81 3nrz h ASN 1307Ca 0.12 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.77 3nrz h ASN 1307Cb 0.13 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 3nrz h ASN 1307CO -0.17 0.02 -0.48 0.00 -1.65 0.00 0.00 177.43 175.15 3nrz h ALA 1308N 1.98 0.82 -0.48 -0.83 0.00 -0.70 -3.37 119.26 116.68 3nrz h ALA 1308Ca -0.00 -0.43 -0.73 0.00 0.00 0.00 0.00 54.91 53.75 3nrz h ALA 1308Cb 0.03 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 17.65 3nrz h ALA 1308CO 0.00 0.60 2.57 0.00 0.00 0.00 0.00 179.25 182.42 3nrz s VAL 1310N 2.04 3.42 0.00 0.00 1.01 -1.26 -4.82 120.40 120.78 3nrz s VAL 1310Ca 0.44 0.87 0.00 0.00 0.00 0.00 0.00 61.98 63.29 3nrz s VAL 1310Cb 0.11 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.93 3nrz s VAL 1310CO -0.04 0.01 0.00 -0.90 0.00 0.00 0.00 175.10 174.17 3nrz n ASP 1311N 5.16 0.00 0.24 3.32 5.68 -1.26 -3.33 116.55 126.36 3nrz n ASP 1311Ca 0.14 -0.79 0.17 0.00 -0.50 0.00 0.00 54.79 53.81 3nrz n ASP 1311Cb 0.42 0.00 0.77 0.00 -1.14 0.00 0.00 41.12 41.18 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 0.03 0.11 2.10 -1.92 -2.45 116.57 114.44 3nrz h LYS 1312Ca 0.00 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.52 3nrz h LYS 1312Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 3nrz h LYS 1312CO 0.00 0.00 -0.70 0.74 -2.00 0.00 0.00 179.45 177.49 3nrz h PHE 1313N 0.00 0.10 -0.48 0.07 -1.00 -1.94 0.11 116.94 113.79 3nrz h PHE 1313Ca 0.00 -0.07 -0.05 0.00 2.81 0.00 0.00 57.97 60.66 3nrz h PHE 1313Cb 0.26 -0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.80 3nrz h PHE 1313CO 0.00 1.27 0.09 1.79 -1.61 0.00 0.00 178.31 179.86 3nrz h THR 1314N -0.86 1.22 0.00 -1.55 1.35 -1.85 -2.65 112.91 108.57 3nrz h THR 1314Ca -0.18 -0.80 0.00 0.00 -0.55 0.00 0.00 66.41 64.88 3nrz h THR 1314Cb 1.26 0.75 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 3nrz h THR 1314CO -0.06 0.29 -0.30 0.71 -0.25 0.00 0.00 175.52 175.91 3nrz h THR 1315N 0.72 0.00 -0.17 6.82 1.35 -1.62 -3.48 112.91 116.53 3nrz h THR 1315Ca 0.16 -0.74 -0.07 0.00 -0.55 0.00 0.00 66.41 65.21 3nrz h THR 1315Cb 0.30 1.56 -0.03 0.00 -1.73 0.00 0.00 68.15 68.25 3nrz h THR 1315CO 0.00 0.00 -0.07 0.18 -0.25 0.00 0.00 175.52 175.39 3nrz n LEU 1316N -2.57 0.07 0.15 3.87 4.77 -1.00 -4.80 117.00 117.49 3nrz n LEU 1316Ca 0.04 0.09 0.17 0.00 -0.03 0.00 0.00 56.01 56.27 3nrz n LEU 1316Cb 0.48 -1.54 0.76 0.00 -2.33 0.00 0.00 43.42 40.79 3nrz n LEU 1316CO 0.34 -0.51 1.15 0.00 -1.33 0.00 0.00 177.39 177.05 3nrz h VAL 1318N 0.00 0.28 -0.00 0.00 3.04 -1.11 -1.31 116.25 117.15 3nrz h VAL 1318Ca 0.13 -0.20 0.00 0.00 -1.01 0.00 0.00 66.70 65.62 3nrz h VAL 1318Cb 0.59 1.15 0.00 0.00 -2.01 0.00 0.00 31.29 31.02 3nrz h VAL 1318CO -0.00 0.03 -0.12 0.35 -1.01 0.00 0.00 177.57 176.82 3nrz n THR 1319N -3.42 0.00 0.00 3.17 -2.24 -0.25 -4.92 114.28 106.62 3nrz n THR 1319Ca -0.02 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 3nrz n THR 1319Cb 0.14 -0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 3nrz n THR 1319CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3nrz n GLY 1320N 1.30 0.73 3.76 3.38 0.00 -0.49 -5.08 105.19 108.79 3nrz n GLY 1320Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 3nrz n GLY 1320CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3nrz s ALA 1321N -2.20 2.45 0.62 4.61 0.00 -1.25 -5.02 121.76 120.98 3nrz s ALA 1321Ca 0.00 0.68 -0.14 0.00 0.00 0.00 0.00 51.96 52.51 3nrz s ALA 1321Cb 0.00 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.73 3nrz s ALA 1321CO 0.00 -1.29 1.04 -1.25 0.00 0.00 0.00 175.76 174.26 3nrz s PRO 1322N -3.87 3.33 0.19 0.00 0.04 -1.26 -4.16 135.00 129.26 3nrz s PRO 1322Ca 0.70 1.03 -0.24 0.00 0.04 0.00 0.00 61.00 62.53 3nrz s PRO 1322Cb -0.23 -2.04 0.06 0.00 0.04 0.00 0.00 34.50 32.32 3nrz s PRO 1322CO 0.39 -0.79 0.92 0.20 0.04 0.00 0.00 177.00 177.76 3nrz s GLY 1323N -3.31 -0.16 -0.68 0.56 0.00 -1.26 -4.75 107.32 97.72 3nrz s GLY 1323Ca 0.60 -0.02 -0.04 0.00 0.00 0.00 0.00 44.72 45.27 3nrz s GLY 1323CO 0.44 0.11 2.57 0.70 0.00 0.00 0.00 173.10 176.91 3nrz n ASN 1324N -0.54 6.92 -3.51 1.64 3.02 -1.26 -4.86 115.26 116.66 3nrz n ASN 1324Ca -0.06 -3.30 -0.20 0.00 -0.03 0.00 0.00 54.58 50.99 3nrz n ASN 1324Cb 0.60 -1.23 -0.08 0.00 -0.61 0.00 0.00 39.78 38.46 3nrz n ASN 1324CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64