#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ns1 n THR 572 N 0.00 0.19 -1.90 5.18 -2.24 -1.26 -4.97 114.28 109.28 3ns1 n THR 572 Ca 0.00 -0.59 -0.42 0.00 -2.27 0.00 0.00 64.05 60.76 3ns1 n THR 572 Cb 0.00 1.15 -0.03 0.00 -2.10 0.00 0.00 70.33 69.35 3ns1 n THR 572 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3ns1 s VAL 573 N -1.15 3.35 0.00 2.28 1.01 -1.26 -1.03 120.40 123.60 3ns1 s VAL 573 Ca 0.19 0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.65 3ns1 s VAL 573 Cb 0.12 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 33.19 3ns1 s VAL 573 CO 0.18 -0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.86 3ns1 n GLY 574 N 4.23 0.25 3.81 4.51 0.00 -0.17 -5.01 105.19 112.81 3ns1 n GLY 574 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 3ns1 n GLY 574 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ns1 s ARG 575 N -0.99 3.18 -0.30 1.61 0.52 -0.20 -4.54 118.95 118.23 3ns1 s ARG 575 Ca 0.00 -0.42 -0.03 0.00 -0.52 0.00 0.00 55.73 54.76 3ns1 s ARG 575 Cb 0.00 -2.94 -0.09 0.00 0.52 0.00 0.00 34.95 32.44 3ns1 s ARG 575 CO 0.00 0.67 1.92 -0.35 0.02 0.00 0.00 175.30 177.56 3ns1 n PRO 576 N 1.23 1.23 -2.12 3.54 -0.04 -1.26 -4.45 135.00 133.12 3ns1 n PRO 576 Ca -0.13 -0.78 -0.42 0.00 -0.04 0.00 0.00 63.50 62.12 3ns1 n PRO 576 Cb 0.53 -1.98 -0.03 0.00 -0.04 0.00 0.00 33.50 31.98 3ns1 n PRO 576 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3ns1 s LEU 577 N 0.03 4.34 0.73 1.53 2.96 -1.26 -4.83 118.68 122.18 3ns1 s LEU 577 Ca 0.31 2.25 -0.14 0.00 -0.22 0.00 0.00 54.13 56.33 3ns1 s LEU 577 Cb 0.12 -3.56 0.04 0.00 0.50 0.00 0.00 46.19 43.29 3ns1 s LEU 577 CO -0.01 -0.76 1.16 -2.84 -1.32 0.00 0.00 176.35 172.58 3ns1 s PRO 578 N 2.32 2.23 0.16 0.98 0.02 -1.26 -4.79 135.00 134.65 3ns1 s PRO 578 Ca 0.67 1.58 -0.34 0.00 0.02 0.00 0.00 61.00 62.94 3ns1 s PRO 578 Cb -0.35 -1.86 -0.15 0.00 0.02 0.00 0.00 34.50 32.16 3ns1 s PRO 578 CO 0.29 -1.73 1.35 1.58 -0.33 0.00 0.00 177.00 178.15 3ns1 n HIS 579 N -2.84 1.73 0.26 6.54 -0.00 -1.26 -4.86 115.22 114.79 3ns1 n HIS 579 Ca 0.12 0.54 0.11 0.00 -0.00 0.00 0.00 57.72 58.49 3ns1 n HIS 579 Cb 0.51 -2.38 0.73 0.00 -0.00 0.00 0.00 29.99 28.84 3ns1 n HIS 579 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 3ns1 h LEU 580 N 4.38 0.00 -0.51 0.27 3.38 -1.96 -1.96 115.31 118.92 3ns1 h LEU 580 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3ns1 h LEU 580 Cb 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 3ns1 h LEU 580 CO 0.77 0.09 -0.53 0.00 0.09 0.00 0.00 178.44 178.86 3ns1 n ALA 581 N -2.36 3.68 -0.27 1.53 0.00 -1.26 -4.68 120.51 117.15 3ns1 n ALA 581 Ca -0.02 -0.53 0.08 0.00 0.00 0.00 0.00 53.44 52.97 3ns1 n ALA 581 Cb 0.18 -0.93 0.22 0.00 0.00 0.00 0.00 19.45 18.92 3ns1 n ALA 581 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ns1 h ALA 582 N 3.52 1.08 -0.88 0.00 0.00 -1.72 0.82 119.26 122.08 3ns1 h ALA 582 Ca 0.00 0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.11 3ns1 h ALA 582 Cb 0.60 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 3ns1 h ALA 582 CO 0.00 -0.37 0.59 0.00 0.00 0.00 0.00 179.25 179.46 3ns1 h ALA 583 N 1.67 1.12 0.00 0.00 0.00 -1.83 -0.79 119.26 119.43 3ns1 h ALA 583 Ca 0.47 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 55.20 3ns1 h ALA 583 Cb 0.85 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3ns1 h ALA 583 CO -0.56 0.52 -0.55 0.52 0.00 0.00 0.00 179.25 179.19 3ns1 h MET 584 N 1.20 0.00 -0.62 0.00 2.86 -1.31 -2.58 114.93 114.48 3ns1 h MET 584 Ca 0.32 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.88 3ns1 h MET 584 Cb -0.14 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.50 3ns1 h MET 584 CO -0.07 0.55 0.04 1.96 1.06 0.00 0.00 176.91 180.45 3ns1 h GLN 585 N 0.00 1.06 0.00 1.72 4.20 -0.60 0.32 115.11 121.81 3ns1 h GLN 585 Ca -0.01 -0.31 0.00 0.00 0.06 0.00 0.00 58.65 58.39 3ns1 h GLN 585 Cb 1.37 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 29.04 3ns1 h GLN 585 CO 0.07 1.01 0.00 0.00 -0.67 0.00 0.00 178.83 179.24 3ns1 h ALA 586 N 1.05 1.00 -0.02 3.87 0.00 -0.97 -3.12 119.26 121.08 3ns1 h ALA 586 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3ns1 h ALA 586 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3ns1 h ALA 586 CO 0.02 0.00 -0.17 -1.13 0.00 0.00 0.00 179.25 177.97 3ns1 n SER 587 N -2.46 2.27 -0.04 0.00 3.41 -0.99 -4.98 113.62 110.84 3ns1 n SER 587 Ca 0.04 -1.64 -0.00 0.00 -0.26 0.00 0.00 58.87 57.00 3ns1 n SER 587 Cb 0.36 0.21 -0.00 0.00 -0.26 0.00 0.00 64.21 64.51 3ns1 n SER 587 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ns1 n GLY 588 N 1.17 0.46 0.07 5.00 0.00 -0.98 -4.93 105.19 105.98 3ns1 n GLY 588 Ca 0.10 -0.63 0.03 0.00 0.00 0.00 0.00 46.02 45.52 3ns1 n GLY 588 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ns1 n GLU 589 N -2.92 0.65 -1.80 1.61 1.02 0.03 -4.90 120.64 114.32 3ns1 n GLU 589 Ca -0.00 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.73 3ns1 n GLU 589 Cb 0.02 -1.64 -0.01 0.00 -0.02 0.00 0.00 31.44 29.79 3ns1 n GLU 589 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ns1 s ALA 590 N -3.10 3.66 -0.25 0.62 0.00 -0.77 -4.99 121.76 116.92 3ns1 s ALA 590 Ca -0.06 1.56 -0.13 0.00 0.00 0.00 0.00 51.96 53.34 3ns1 s ALA 590 Cb 0.10 -3.62 -0.05 0.00 0.00 0.00 0.00 23.12 19.55 3ns1 s ALA 590 CO 0.85 -1.01 0.26 0.08 0.00 0.00 0.00 175.76 175.94 3ns1 s VAL 591 N -0.56 5.28 0.50 0.00 1.01 -1.26 -4.97 120.40 120.39 3ns1 s VAL 591 Ca 0.58 0.35 0.05 0.00 0.00 0.00 0.00 61.98 62.96 3ns1 s VAL 591 Cb -0.47 -3.59 0.04 0.00 0.00 0.00 0.00 36.38 32.36 3ns1 s VAL 591 CO 0.55 0.26 0.70 -0.31 0.00 0.00 0.00 175.10 176.29 3ns1 s TYR 592 N 1.55 2.57 0.18 5.22 1.51 -1.26 -4.70 117.35 122.41 3ns1 s TYR 592 Ca 0.11 -0.30 -0.18 0.00 -1.01 0.00 0.00 57.07 55.68 3ns1 s TYR 592 Cb -0.15 -2.53 0.13 0.00 -0.11 0.00 0.00 41.96 39.30 3ns1 s TYR 592 CO 0.08 -0.75 1.63 0.00 -1.11 0.00 0.00 175.55 175.40 3ns1 n ASP 594 N -5.39 0.00 -0.07 0.00 2.03 -1.26 -2.71 116.55 109.15 3ns1 n ASP 594 Ca 0.03 -0.42 0.13 0.00 0.52 0.00 0.00 54.79 55.05 3ns1 n ASP 594 Cb 0.30 -0.16 0.45 0.00 -0.72 0.00 0.00 41.12 40.99 3ns1 n ASP 594 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 3ns1 n ASP 595 N -1.16 0.47 -4.74 1.67 8.00 0.48 -4.86 116.55 116.42 3ns1 n ASP 595 Ca 0.16 -0.29 -0.41 0.00 0.71 0.00 0.00 54.79 54.95 3ns1 n ASP 595 Cb 0.15 -0.01 -0.04 0.00 -0.02 0.00 0.00 41.12 41.20 3ns1 n ASP 595 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3ns1 s ILE 596 N -2.77 3.70 0.81 0.53 1.01 -1.10 -4.92 121.20 118.46 3ns1 s ILE 596 Ca 0.19 1.50 -0.13 0.00 0.00 0.00 0.00 60.65 62.21 3ns1 s ILE 596 Cb 0.19 -3.96 0.08 0.00 0.01 0.00 0.00 42.46 38.79 3ns1 s ILE 596 CO 0.57 0.27 1.18 -2.84 0.00 0.00 0.00 174.94 174.12 3ns1 s PRO 597 N -0.52 1.67 0.17 2.79 0.02 -1.26 -5.00 135.00 132.87 3ns1 s PRO 597 Ca 0.50 1.66 -0.07 0.00 0.02 0.00 0.00 61.00 63.10 3ns1 s PRO 597 Cb -0.31 -1.79 -0.06 0.00 0.02 0.00 0.00 34.50 32.36 3ns1 s PRO 597 CO 0.37 -2.17 0.45 1.03 -0.33 0.00 0.00 177.00 176.34 3ns1 s ARG 598 N -4.26 3.71 0.73 5.54 3.00 -1.26 -5.09 118.95 121.32 3ns1 s ARG 598 Ca 0.71 0.09 -0.13 0.00 0.00 0.00 0.00 55.73 56.40 3ns1 s ARG 598 Cb -0.26 -2.80 0.04 0.00 0.00 0.00 0.00 34.95 31.93 3ns1 s ARG 598 CO 0.51 0.43 1.13 0.71 0.00 0.00 0.00 175.30 178.08 3ns1 s TYR 599 N -1.68 2.39 0.45 -0.53 1.51 -1.26 -4.94 117.35 113.30 3ns1 s TYR 599 Ca 0.42 1.59 0.12 0.00 -1.01 0.00 0.00 57.07 58.19 3ns1 s TYR 599 Cb -0.12 -3.22 1.04 0.00 -0.11 0.00 0.00 41.96 39.55 3ns1 s TYR 599 CO 0.22 -2.01 2.06 1.05 -1.11 0.00 0.00 175.55 175.76 3ns1 h GLU 600 N -0.51 0.34 -0.48 -0.62 4.11 -2.02 -2.40 114.58 113.00 3ns1 h GLU 600 Ca -0.46 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 58.95 3ns1 h GLU 600 Cb 1.25 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.43 3ns1 h GLU 600 CO 0.51 0.22 0.00 0.27 0.07 0.00 0.00 179.01 180.08 3ns1 n ASN 601 N -4.48 4.96 -4.70 3.06 6.94 -1.26 -5.00 115.26 114.77 3ns1 n ASN 601 Ca 0.04 -2.88 -0.42 0.00 -0.02 0.00 0.00 54.58 51.30 3ns1 n ASN 601 Cb 0.18 -0.61 -0.03 0.00 -2.36 0.00 0.00 39.78 36.96 3ns1 n ASN 601 CO 0.00 0.00 0.00 -0.70 -1.03 0.00 0.00 177.26 175.53 3ns1 s GLU 602 N -2.63 4.42 0.50 -3.83 2.12 -0.91 -4.44 118.70 113.93 3ns1 s GLU 602 Ca 0.49 1.66 0.09 0.00 0.36 0.00 0.00 54.97 57.57 3ns1 s GLU 602 Cb 0.37 -3.46 0.04 0.00 0.26 0.00 0.00 34.13 31.34 3ns1 s GLU 602 CO 0.15 -0.31 0.64 -0.51 -0.54 0.00 0.00 175.26 174.69 3ns1 s LEU 603 N 1.60 3.30 -0.02 2.70 1.43 0.04 -4.94 118.68 122.80 3ns1 s LEU 603 Ca 0.56 -0.71 0.04 0.00 -1.03 0.00 0.00 54.13 52.99 3ns1 s LEU 603 Cb -0.26 -2.01 -0.01 0.00 0.03 0.00 0.00 46.19 43.94 3ns1 s LEU 603 CO 0.25 -1.05 -0.15 -0.36 0.23 0.00 0.00 176.35 175.28 3ns1 s PHE 604 N -2.54 1.40 -0.06 0.29 0.40 -0.55 -1.53 117.98 115.39 3ns1 s PHE 604 Ca 0.56 -0.30 0.02 0.00 -0.60 0.00 0.00 56.93 56.60 3ns1 s PHE 604 Cb -0.07 -0.91 -0.03 0.00 0.51 0.00 0.00 43.02 42.52 3ns1 s PHE 604 CO 0.34 -0.06 -0.08 -1.17 0.70 0.00 0.00 175.22 174.95 3ns1 s LEU 605 N -0.23 3.08 -0.06 -0.37 0.20 0.22 -1.36 118.68 120.15 3ns1 s LEU 605 Ca 0.03 -0.07 0.00 0.00 0.69 0.00 0.00 54.13 54.79 3ns1 s LEU 605 Cb -0.07 -1.68 0.02 0.00 -0.43 0.00 0.00 46.19 44.04 3ns1 s LEU 605 CO 0.00 0.35 -0.04 -0.60 -0.29 0.00 0.00 176.35 175.77 3ns1 s ARG 606 N -0.86 0.94 0.46 1.98 3.52 -0.17 -4.65 118.95 120.16 3ns1 s ARG 606 Ca 0.13 -0.09 -0.25 0.00 -0.13 0.00 0.00 55.73 55.39 3ns1 s ARG 606 Cb -0.11 -1.03 -0.08 0.00 -1.56 0.00 0.00 34.95 32.17 3ns1 s ARG 606 CO 0.02 -0.16 1.36 1.28 -0.81 0.00 0.00 175.30 176.98 3ns1 n LEU 607 N 4.48 4.81 -4.39 -0.88 4.77 -1.26 -1.26 117.00 123.27 3ns1 n LEU 607 Ca -0.18 1.08 -0.33 0.00 -0.03 0.00 0.00 56.01 56.55 3ns1 n LEU 607 Cb 0.51 -1.56 -0.14 0.00 -2.33 0.00 0.00 43.42 39.90 3ns1 n LEU 607 CO 0.19 -0.42 -0.41 -0.69 -1.33 0.00 0.00 177.39 174.72 3ns1 s VAL 608 N -1.22 3.31 0.12 4.08 1.01 -0.53 -4.87 120.40 122.31 3ns1 s VAL 608 Ca 0.63 -0.56 0.07 0.00 0.00 0.00 0.00 61.98 62.13 3ns1 s VAL 608 Cb -0.46 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 3ns1 s VAL 608 CO 0.56 0.50 -0.17 -0.89 0.00 0.00 0.00 175.10 175.10 3ns1 s THR 609 N 0.54 1.56 0.40 3.92 2.01 -1.26 -1.46 115.64 121.35 3ns1 s THR 609 Ca -0.06 -1.66 -0.25 0.00 0.31 0.00 0.00 61.69 60.02 3ns1 s THR 609 Cb -0.15 -1.56 -0.08 0.00 0.01 0.00 0.00 72.50 70.71 3ns1 s THR 609 CO 0.03 -0.25 1.19 -0.55 -0.69 0.00 0.00 174.62 174.36 3ns1 s SER 610 N -2.23 6.49 -0.16 3.53 0.15 0.72 -4.91 113.70 117.30 3ns1 s SER 610 Ca 0.08 2.39 0.16 0.00 0.70 0.00 0.00 55.95 59.28 3ns1 s SER 610 Cb -0.07 -2.62 0.67 0.00 -1.71 0.00 0.00 66.02 62.28 3ns1 s SER 610 CO 0.04 -0.70 1.58 0.35 1.20 0.00 0.00 173.24 175.72 3ns1 n THR 611 N 0.09 2.15 -4.62 6.45 -2.24 -1.25 -4.17 114.28 110.68 3ns1 n THR 611 Ca 0.04 -1.42 -0.24 0.00 -2.27 0.00 0.00 64.05 60.17 3ns1 n THR 611 Cb 0.46 -0.05 -0.14 0.00 -2.10 0.00 0.00 70.33 68.50 3ns1 n THR 611 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3ns1 s ARG 612 N -2.29 1.28 0.21 -0.78 1.81 -1.26 -4.94 118.95 112.98 3ns1 s ARG 612 Ca 0.47 -0.80 -0.10 0.00 -1.72 0.00 0.00 55.73 53.58 3ns1 s ARG 612 Cb 0.34 -1.32 0.15 0.00 -0.45 0.00 0.00 34.95 33.67 3ns1 s ARG 612 CO 0.17 0.34 1.87 0.00 -0.68 0.00 0.00 175.30 177.01 3ns1 h ALA 613 N 5.13 0.95 -1.00 2.13 0.00 -1.81 -3.09 119.26 121.56 3ns1 h ALA 613 Ca -0.40 -0.06 0.12 0.00 0.00 0.00 0.00 54.91 54.57 3ns1 h ALA 613 Cb 1.16 -0.30 -0.21 0.00 0.00 0.00 0.00 17.79 18.44 3ns1 h ALA 613 CO 0.45 0.38 -0.17 -1.58 0.00 0.00 0.00 179.25 178.33 3ns1 s HIS 614 N -6.10 -1.37 -0.00 0.00 5.65 -1.26 -1.65 115.29 110.56 3ns1 s HIS 614 Ca -0.13 1.58 -0.28 0.00 0.25 0.00 0.00 55.06 56.48 3ns1 s HIS 614 Cb 0.15 0.53 0.09 0.00 -1.18 0.00 0.00 32.58 32.16 3ns1 s HIS 614 CO 0.78 -0.74 0.75 0.00 -0.65 0.00 0.00 174.74 174.88 3ns1 s ALA 615 N 2.86 -1.76 0.10 1.58 0.00 -0.97 -0.50 121.76 123.08 3ns1 s ALA 615 Ca 0.13 1.07 -0.30 0.00 0.00 0.00 0.00 51.96 52.86 3ns1 s ALA 615 Cb -0.14 0.21 -0.07 0.00 0.00 0.00 0.00 23.12 23.13 3ns1 s ALA 615 CO -0.19 -0.53 1.21 0.15 0.00 0.00 0.00 175.76 176.40 3ns1 s LYS 616 N -2.27 4.44 -0.32 0.00 1.02 -0.54 -0.02 119.74 122.05 3ns1 s LYS 616 Ca -0.03 1.82 -0.29 0.00 0.02 0.00 0.00 55.97 57.49 3ns1 s LYS 616 Cb -0.01 -3.31 0.02 0.00 -0.52 0.00 0.00 37.83 34.01 3ns1 s LYS 616 CO -0.02 -0.22 1.07 0.42 -0.92 0.00 0.00 175.35 175.69 3ns1 s ILE 617 N 0.73 4.51 -0.11 2.17 1.01 0.16 -1.35 121.20 128.33 3ns1 s ILE 617 Ca 0.57 1.71 0.20 0.00 0.00 0.00 0.00 60.65 63.14 3ns1 s ILE 617 Cb -0.31 -4.41 -0.24 0.00 0.01 0.00 0.00 42.46 37.51 3ns1 s ILE 617 CO 0.31 -0.48 0.53 2.29 0.00 0.00 0.00 174.94 177.59 3ns1 n LYS 618 N 6.86 0.65 -3.52 2.79 2.85 0.72 -4.90 118.16 123.61 3ns1 n LYS 618 Ca 0.12 -0.04 -0.13 0.00 -1.05 0.00 0.00 58.31 57.20 3ns1 n LYS 618 Cb 0.47 -1.61 -0.04 0.00 -0.65 0.00 0.00 35.03 33.20 3ns1 n LYS 618 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 3ns1 s SER 619 N -5.05 -0.50 -0.15 -5.58 1.04 -1.21 -4.98 113.70 97.28 3ns1 s SER 619 Ca -0.07 0.37 -0.00 0.00 0.48 0.00 0.00 55.95 56.73 3ns1 s SER 619 Cb 0.11 0.44 0.03 0.00 0.10 0.00 0.00 66.02 66.70 3ns1 s SER 619 CO 0.86 -0.58 -0.08 -0.63 0.98 0.00 0.00 173.24 173.79 3ns1 s ILE 620 N -1.92 1.20 -0.17 -1.02 1.01 -1.26 -1.49 121.20 117.54 3ns1 s ILE 620 Ca -0.03 -0.56 0.00 0.00 0.00 0.00 0.00 60.65 60.06 3ns1 s ILE 620 Cb -0.00 -1.28 0.01 0.00 0.01 0.00 0.00 42.46 41.19 3ns1 s ILE 620 CO 0.00 0.26 -0.17 -0.62 0.00 0.00 0.00 174.94 174.41 3ns1 s ASP 621 N 1.61 3.45 0.00 3.58 2.15 0.33 -4.98 116.67 122.82 3ns1 s ASP 621 Ca 0.02 -0.56 0.05 0.00 0.43 0.00 0.00 52.55 52.50 3ns1 s ASP 621 Cb -0.14 -1.54 0.10 0.00 -0.30 0.00 0.00 42.92 41.04 3ns1 s ASP 621 CO -0.08 0.03 0.92 1.33 -0.17 0.00 0.00 175.17 177.20 3ns1 n VAL 622 N 4.42 0.55 -0.33 1.11 0.24 -1.26 -1.88 118.33 121.19 3ns1 n VAL 622 Ca -0.20 -0.78 -0.01 0.00 -2.04 0.00 0.00 64.34 61.31 3ns1 n VAL 622 Cb 0.51 0.78 0.12 0.00 -1.47 0.00 0.00 33.84 33.77 3ns1 n VAL 622 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 3ns1 h SER 623 N 1.03 0.97 -0.44 -1.34 4.64 -1.93 -1.32 113.55 115.15 3ns1 h SER 623 Ca 0.00 -0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 3ns1 h SER 623 Cb 0.44 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.30 3ns1 h SER 623 CO 0.00 0.66 0.05 -0.33 -0.87 0.00 0.00 176.83 176.34 3ns1 h GLU 624 N 1.13 0.74 -0.28 4.77 4.39 -1.85 -3.13 114.58 120.35 3ns1 h GLU 624 Ca 0.36 -0.21 -0.01 0.00 0.34 0.00 0.00 59.36 59.84 3ns1 h GLU 624 Cb 0.00 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 3ns1 h GLU 624 CO -0.12 0.78 0.13 0.00 -1.16 0.00 0.00 179.01 178.64 3ns1 h ALA 625 N 0.93 1.69 0.00 3.43 0.00 -1.66 -1.83 119.26 121.82 3ns1 h ALA 625 Ca 0.13 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3ns1 h ALA 625 Cb 0.41 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 3ns1 h ALA 625 CO 0.01 0.25 -0.02 1.96 0.00 0.00 0.00 179.25 181.46 3ns1 h GLN 626 N 0.39 0.00 0.00 0.00 4.20 -1.19 -2.92 115.11 115.59 3ns1 h GLN 626 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 3ns1 h GLN 626 Cb 0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.84 3ns1 h GLN 626 CO -0.01 0.02 -0.16 1.63 -0.67 0.00 0.00 178.83 179.63 3ns1 n LYS 627 N -3.19 0.19 -2.31 1.46 5.02 -0.69 -4.87 118.16 113.78 3ns1 n LYS 627 Ca -0.02 0.13 -0.42 0.00 -2.02 0.00 0.00 58.31 55.98 3ns1 n LYS 627 Cb 0.17 -1.69 -0.03 0.00 -0.02 0.00 0.00 35.03 33.45 3ns1 n LYS 627 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3ns1 s VAL 628 N -3.08 3.74 0.56 -0.18 1.01 -1.11 -4.99 120.40 116.35 3ns1 s VAL 628 Ca 0.11 1.23 -0.21 0.00 0.00 0.00 0.00 61.98 63.10 3ns1 s VAL 628 Cb 0.14 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 3ns1 s VAL 628 CO 0.61 0.08 1.31 -2.84 0.00 0.00 0.00 175.10 174.26 3ns1 s PRO 629 N 1.33 3.10 0.00 2.72 0.02 -1.26 -2.02 135.00 138.89 3ns1 s PRO 629 Ca 0.61 2.11 0.00 0.00 0.02 0.00 0.00 61.00 63.74 3ns1 s PRO 629 Cb -0.32 -2.17 0.00 0.00 0.02 0.00 0.00 34.50 32.03 3ns1 s PRO 629 CO 0.29 -1.18 0.00 0.41 -0.33 0.00 0.00 177.00 176.18 3ns1 n GLY 630 N 0.70 2.59 3.63 0.52 0.00 -1.26 -4.84 105.19 106.53 3ns1 n GLY 630 Ca 0.11 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.66 3ns1 n GLY 630 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3ns1 n PHE 631 N -2.00 1.85 -0.06 1.61 7.35 -0.86 -1.88 117.46 123.48 3ns1 n PHE 631 Ca 0.00 0.49 -0.13 0.00 -0.76 0.00 0.00 57.45 57.05 3ns1 n PHE 631 Cb 0.00 -2.41 -0.04 0.00 0.35 0.00 0.00 39.48 37.37 3ns1 n PHE 631 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 3ns1 n VAL 632 N 2.37 1.07 -3.60 -2.13 0.31 0.07 -4.93 118.33 111.49 3ns1 n VAL 632 Ca 0.15 -0.06 -0.05 0.00 -0.01 0.00 0.00 64.34 64.38 3ns1 n VAL 632 Cb 0.26 -1.83 -0.03 0.00 -0.91 0.00 0.00 33.84 31.33 3ns1 n VAL 632 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ns1 s PHE 634 N -2.02 3.60 -0.00 0.00 5.36 -1.26 -1.14 117.98 122.52 3ns1 s PHE 634 Ca 0.08 0.65 0.06 0.00 -0.96 0.00 0.00 56.93 56.76 3ns1 s PHE 634 Cb -0.01 -2.05 -0.02 0.00 -0.34 0.00 0.00 43.02 40.61 3ns1 s PHE 634 CO -0.05 0.61 -0.20 -0.51 -1.46 0.00 0.00 175.22 173.61 3ns1 s LEU 635 N -1.66 2.07 0.31 6.12 1.43 0.34 -4.96 118.68 122.32 3ns1 s LEU 635 Ca 0.27 -0.40 -0.07 0.00 -1.03 0.00 0.00 54.13 52.91 3ns1 s LEU 635 Cb -0.14 -1.01 0.00 0.00 0.03 0.00 0.00 46.19 45.07 3ns1 s LEU 635 CO 0.15 0.23 0.49 -0.94 0.23 0.00 0.00 176.35 176.51 3ns1 s SER 636 N -0.62 0.48 0.49 2.29 1.04 -1.26 -0.26 113.70 115.86 3ns1 s SER 636 Ca 0.08 -1.28 0.35 0.00 0.48 0.00 0.00 55.95 55.58 3ns1 s SER 636 Cb -0.08 0.64 1.48 0.00 0.10 0.00 0.00 66.02 68.16 3ns1 s SER 636 CO -0.00 -1.26 1.70 0.00 0.98 0.00 0.00 173.24 174.65 3ns1 h ALA 637 N 2.17 3.02 0.00 5.32 0.00 -1.83 0.14 119.26 128.09 3ns1 h ALA 637 Ca -0.28 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 3ns1 h ALA 637 Cb 1.24 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 3ns1 h ALA 637 CO 0.39 -1.50 -0.06 -0.44 0.00 0.00 0.00 179.25 177.64 3ns1 h ASP 638 N 0.09 0.00 0.19 0.00 3.32 -1.96 -3.09 116.42 114.97 3ns1 h ASP 638 Ca 0.72 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.77 3ns1 h ASP 638 Cb 2.54 0.00 0.00 0.00 0.22 0.00 0.00 39.33 42.09 3ns1 h ASP 638 CO -0.17 0.06 -0.04 0.47 -1.72 0.00 0.00 179.24 177.83 3ns1 n ASP 639 N -3.73 0.43 -4.65 6.45 8.00 0.50 -4.87 116.55 118.69 3ns1 n ASP 639 Ca -0.02 -0.84 -0.41 0.00 0.71 0.00 0.00 54.79 54.22 3ns1 n ASP 639 Cb 0.16 -0.06 -0.05 0.00 -0.02 0.00 0.00 41.12 41.15 3ns1 n ASP 639 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3ns1 s ILE 640 N -2.23 4.89 -0.24 0.53 1.01 -1.17 -4.95 121.20 119.04 3ns1 s ILE 640 Ca 0.37 1.48 0.18 0.00 0.00 0.00 0.00 60.65 62.68 3ns1 s ILE 640 Cb 0.21 -4.08 0.11 0.00 0.01 0.00 0.00 42.46 38.71 3ns1 s ILE 640 CO 0.41 -0.02 1.38 1.55 0.00 0.00 0.00 174.94 178.27 3ns1 h PRO 641 N 7.61 0.00 0.00 2.79 0.13 -1.84 -3.44 132.00 137.25 3ns1 h PRO 641 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3ns1 h PRO 641 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3ns1 h PRO 641 CO 0.84 0.30 0.00 0.41 -0.23 0.00 0.00 178.00 179.32 3ns1 n GLY 642 N 1.21 -0.35 3.44 1.56 0.00 -0.34 -4.81 105.19 105.90 3ns1 n GLY 642 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 3ns1 n GLY 642 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ns1 s SER 643 N -0.88 -0.65 -0.32 1.61 0.15 -0.94 -4.83 113.70 107.84 3ns1 s SER 643 Ca 0.00 1.14 0.07 0.00 0.70 0.00 0.00 55.95 57.87 3ns1 s SER 643 Cb 0.00 1.07 0.65 0.00 -1.71 0.00 0.00 66.02 66.04 3ns1 s SER 643 CO 0.00 -0.20 1.72 -3.20 1.20 0.00 0.00 173.24 172.76 3ns1 n ASN 644 N 3.69 4.34 -4.36 5.45 5.15 -1.26 -4.29 115.26 123.97 3ns1 n ASN 644 Ca -0.19 -3.16 -0.33 0.00 -0.60 0.00 0.00 54.58 50.30 3ns1 n ASN 644 Cb 0.57 -0.74 -0.14 0.00 -0.53 0.00 0.00 39.78 38.93 3ns1 n ASN 644 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 3ns1 s GLU 645 N -2.76 3.40 0.28 1.20 2.12 -1.26 -3.43 118.70 118.24 3ns1 s GLU 645 Ca 0.49 -0.67 -0.05 0.00 0.36 0.00 0.00 54.97 55.10 3ns1 s GLU 645 Cb 0.40 -2.72 0.02 0.00 0.26 0.00 0.00 34.13 32.10 3ns1 s GLU 645 CO 0.12 0.13 0.46 -2.37 -0.54 0.00 0.00 175.26 173.06 3ns1 n THR 646 N 3.77 0.00 0.00 -1.70 5.66 0.27 -4.88 114.28 117.40 3ns1 n THR 646 Ca -0.18 -1.10 0.00 0.00 -3.05 0.00 0.00 64.05 59.72 3ns1 n THR 646 Cb 0.52 0.80 0.00 0.00 -1.55 0.00 0.00 70.33 70.10 3ns1 n THR 646 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3ns1 n GLY 647 N -0.42 1.43 0.32 1.09 0.00 -1.26 -1.68 105.19 104.66 3ns1 n GLY 647 Ca -0.02 -1.90 0.04 0.00 0.00 0.00 0.00 46.02 44.13 3ns1 n GLY 647 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3ns1 h LEU 648 N 0.00 0.55 -3.14 0.99 5.85 -1.98 -2.28 115.31 115.29 3ns1 h LEU 648 Ca 0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3ns1 h LEU 648 Cb 0.00 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 40.90 3ns1 h LEU 648 CO 0.00 0.39 0.00 0.49 -0.34 0.00 0.00 178.44 178.98 3ns1 n PHE 649 N -4.47 0.57 -3.09 1.25 3.01 -1.26 -4.98 117.46 108.49 3ns1 n PHE 649 Ca 0.05 -0.88 -0.23 0.00 1.01 0.00 0.00 57.45 57.40 3ns1 n PHE 649 Cb 0.07 -0.23 0.03 0.00 -0.01 0.00 0.00 39.48 39.33 3ns1 n PHE 649 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 3ns1 n ASN 650 N -0.75 -5.63 -0.89 4.37 3.02 -0.86 -4.90 115.26 109.62 3ns1 n ASN 650 Ca 0.18 -0.30 0.08 0.00 -0.03 0.00 0.00 54.58 54.51 3ns1 n ASN 650 Cb 0.76 -4.56 0.25 0.00 -0.61 0.00 0.00 39.78 35.61 3ns1 n ASN 650 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3ns1 n ASP 651 N -2.47 3.80 -4.40 6.41 5.68 -1.15 -4.67 116.55 119.74 3ns1 n ASP 651 Ca -0.09 -2.82 -0.26 0.00 -0.50 0.00 0.00 54.79 51.11 3ns1 n ASP 651 Cb 0.60 -0.49 -0.12 0.00 -1.14 0.00 0.00 41.12 39.97 3ns1 n ASP 651 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 3ns1 s GLU 652 N -2.48 1.44 0.08 0.11 2.02 -0.68 -4.90 118.70 114.29 3ns1 s GLU 652 Ca 0.39 -1.46 -0.01 0.00 0.02 0.00 0.00 54.97 53.91 3ns1 s GLU 652 Cb 0.30 -1.74 -0.04 0.00 0.10 0.00 0.00 34.13 32.75 3ns1 s GLU 652 CO 0.11 0.38 0.25 0.95 0.02 0.00 0.00 175.26 176.97 3ns1 s THR 653 N -1.61 5.34 0.01 3.63 -4.23 -1.26 -0.57 115.64 116.94 3ns1 s THR 653 Ca 0.18 -0.30 -0.25 0.00 -1.18 0.00 0.00 61.69 60.15 3ns1 s THR 653 Cb -0.08 -3.63 -0.17 0.00 1.34 0.00 0.00 72.50 69.96 3ns1 s THR 653 CO 0.08 0.11 1.28 0.58 -0.54 0.00 0.00 174.62 176.13 3ns1 h VAL 654 N 2.06 0.88 -3.40 2.29 2.07 -1.91 -3.45 116.25 114.80 3ns1 h VAL 654 Ca -0.45 -0.69 -0.59 0.00 0.82 0.00 0.00 66.70 65.79 3ns1 h VAL 654 Cb 1.16 1.28 -0.33 0.00 -1.52 0.00 0.00 31.29 31.87 3ns1 h VAL 654 CO 0.75 0.15 -0.84 -0.36 0.02 0.00 0.00 177.57 177.29 3ns1 s PHE 655 N -4.67 1.96 0.40 1.57 2.99 -1.26 -4.83 117.98 114.15 3ns1 s PHE 655 Ca -0.14 -0.77 -0.26 0.00 0.00 0.00 0.00 56.93 55.76 3ns1 s PHE 655 Cb 0.02 -1.36 -0.09 0.00 0.00 0.00 0.00 43.02 41.59 3ns1 s PHE 655 CO 0.58 -0.34 1.34 0.00 -0.00 0.00 0.00 175.22 176.80 3ns1 s ALA 656 N 0.50 3.31 0.00 5.36 0.00 -0.13 -4.66 121.76 126.14 3ns1 s ALA 656 Ca -0.16 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.10 3ns1 s ALA 656 Cb -0.17 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.44 3ns1 s ALA 656 CO 0.06 -0.88 0.00 1.17 0.00 0.00 0.00 175.76 176.11 3ns1 n LYS 657 N 0.18 0.00 -0.01 0.00 4.81 -1.26 -4.67 118.16 117.21 3ns1 n LYS 657 Ca 0.03 0.07 0.03 0.00 -0.87 0.00 0.00 58.31 57.58 3ns1 n LYS 657 Cb 0.43 -0.40 -0.08 0.00 0.02 0.00 0.00 35.03 34.99 3ns1 n LYS 657 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3ns1 n ASP 658 N -1.88 2.51 -3.78 3.14 8.00 -1.26 -4.86 116.55 118.41 3ns1 n ASP 658 Ca 0.00 0.00 -0.18 0.00 0.71 0.00 0.00 54.79 55.32 3ns1 n ASP 658 Cb 0.00 1.35 -0.17 0.00 -0.02 0.00 0.00 41.12 42.29 3ns1 n ASP 658 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3ns1 s THR 659 N -2.66 0.12 0.12 -3.53 -1.32 -1.26 0.40 115.64 107.51 3ns1 s THR 659 Ca -0.04 0.17 -0.06 0.00 -1.21 0.00 0.00 61.69 60.55 3ns1 s THR 659 Cb 0.06 -0.26 -0.06 0.00 -1.51 0.00 0.00 72.50 70.74 3ns1 s THR 659 CO 0.45 0.16 0.38 0.68 -2.21 0.00 0.00 174.62 174.08 3ns1 s VAL 660 N 1.37 5.15 0.00 5.08 -7.23 0.97 -4.94 120.40 120.80 3ns1 s VAL 660 Ca -0.05 0.18 0.00 0.00 -1.81 0.00 0.00 61.98 60.30 3ns1 s VAL 660 Cb -0.13 -3.62 0.00 0.00 0.56 0.00 0.00 36.38 33.19 3ns1 s VAL 660 CO -0.03 0.13 0.73 0.35 -0.31 0.00 0.00 175.10 175.97 3ns1 n THR 661 N 0.38 0.52 -3.71 5.32 -2.24 -1.26 -2.29 114.28 111.00 3ns1 n THR 661 Ca -0.04 -0.57 -0.03 0.00 -2.27 0.00 0.00 64.05 61.13 3ns1 n THR 661 Cb 0.52 0.80 -0.01 0.00 -2.10 0.00 0.00 70.33 69.54 3ns1 n THR 661 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ns1 h VAL 663 N 2.00 0.93 -0.41 0.00 2.07 -1.74 -2.08 116.25 117.02 3ns1 h VAL 663 Ca -0.25 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.02 3ns1 h VAL 663 Cb 1.23 0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 31.12 3ns1 h VAL 663 CO 0.26 0.13 0.00 0.61 0.02 0.00 0.00 177.57 178.60 3ns1 n GLY 664 N -1.31 2.56 3.77 2.17 0.00 -1.26 -3.36 105.19 107.76 3ns1 n GLY 664 Ca 0.11 -0.65 -0.40 0.00 0.00 0.00 0.00 46.02 45.08 3ns1 n GLY 664 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3ns1 s HIS 665 N -2.24 2.65 -0.18 1.61 5.04 -0.78 -4.49 115.29 116.89 3ns1 s HIS 665 Ca 0.38 1.29 -0.20 0.00 -1.54 0.00 0.00 55.06 54.99 3ns1 s HIS 665 Cb 0.29 -3.87 -0.03 0.00 0.04 0.00 0.00 32.58 29.02 3ns1 s HIS 665 CO 0.11 -2.63 0.57 0.42 -2.34 0.00 0.00 174.74 170.87 3ns1 s ILE 666 N -1.18 5.08 -0.13 0.89 1.01 -1.26 -0.20 121.20 125.41 3ns1 s ILE 666 Ca 0.56 1.08 0.11 0.00 0.00 0.00 0.00 60.65 62.40 3ns1 s ILE 666 Cb -0.43 -3.89 -0.16 0.00 0.01 0.00 0.00 42.46 37.99 3ns1 s ILE 666 CO 0.56 0.18 0.03 -0.38 0.00 0.00 0.00 174.94 175.33 3ns1 n ILE 667 N 4.42 0.90 -3.96 2.92 5.41 -0.53 -0.96 119.36 127.57 3ns1 n ILE 667 Ca -0.03 -0.54 0.00 0.00 1.00 0.00 0.00 62.75 63.18 3ns1 n ILE 667 Cb 0.50 -0.69 0.00 0.00 -0.71 0.00 0.00 39.64 38.74 3ns1 n ILE 667 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3ns1 n GLY 668 N 2.24 0.43 3.32 7.39 0.00 -1.14 -4.21 105.19 113.23 3ns1 n GLY 668 Ca -0.22 -0.83 -0.12 0.00 0.00 0.00 0.00 46.02 44.84 3ns1 n GLY 668 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ns1 s ALA 669 N -1.10 -1.00 -0.05 4.61 0.00 0.65 -1.46 121.76 123.41 3ns1 s ALA 669 Ca 0.03 0.25 0.04 0.00 0.00 0.00 0.00 51.96 52.29 3ns1 s ALA 669 Cb -0.00 0.41 -0.02 0.00 0.00 0.00 0.00 23.12 23.50 3ns1 s ALA 669 CO -0.00 -0.49 -0.16 0.08 0.00 0.00 0.00 175.76 175.18 3ns1 s VAL 670 N -2.71 2.88 -0.08 0.00 1.01 -0.39 0.13 120.40 121.24 3ns1 s VAL 670 Ca -0.04 -0.79 0.04 0.00 0.00 0.00 0.00 61.98 61.19 3ns1 s VAL 670 Cb -0.00 -2.11 0.00 0.00 0.00 0.00 0.00 36.38 34.27 3ns1 s VAL 670 CO -0.04 0.59 -0.20 -0.69 0.00 0.00 0.00 175.10 174.76 3ns1 s VAL 671 N -0.69 1.73 0.30 2.92 1.01 -0.29 -1.00 120.40 124.39 3ns1 s VAL 671 Ca 0.11 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.26 3ns1 s VAL 671 Cb -0.11 -1.51 -0.00 0.00 0.00 0.00 0.00 36.38 34.76 3ns1 s VAL 671 CO 0.00 0.49 0.37 0.00 0.00 0.00 0.00 175.10 175.96 3ns1 n ALA 672 N 3.51 0.04 0.68 5.51 0.00 -0.47 -0.75 120.51 129.02 3ns1 n ALA 672 Ca -0.20 -1.54 0.12 0.00 0.00 0.00 0.00 53.44 51.82 3ns1 n ALA 672 Cb 0.53 1.24 0.19 0.00 0.00 0.00 0.00 19.45 21.40 3ns1 n ALA 672 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3ns1 n ASP 673 N -1.74 0.63 -4.03 0.00 3.85 -0.79 -1.48 116.55 112.99 3ns1 n ASP 673 Ca 0.03 0.01 -0.08 0.00 -0.71 0.00 0.00 54.79 54.04 3ns1 n ASP 673 Cb 0.52 0.23 -0.10 0.00 -1.35 0.00 0.00 41.12 40.42 3ns1 n ASP 673 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 3ns1 s THR 674 N -3.13 0.16 0.36 2.12 -4.23 -1.26 -4.76 115.64 104.90 3ns1 s THR 674 Ca 0.07 -1.35 0.18 0.00 -1.18 0.00 0.00 61.69 59.42 3ns1 s THR 674 Cb 0.15 -0.88 0.17 0.00 1.34 0.00 0.00 72.50 73.27 3ns1 s THR 674 CO 0.72 -0.74 1.90 1.55 -0.54 0.00 0.00 174.62 177.51 3ns1 h PRO 675 N 3.90 0.00 -0.23 3.99 0.13 -1.92 -0.75 132.00 137.11 3ns1 h PRO 675 Ca -0.33 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.80 3ns1 h PRO 675 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 3ns1 h PRO 675 CO 0.53 0.28 0.14 0.93 -0.23 0.00 0.00 178.00 179.65 3ns1 h GLU 676 N 0.00 0.31 -0.30 0.86 3.07 -1.99 -1.00 114.58 115.53 3ns1 h GLU 676 Ca -0.00 -0.03 -0.08 0.00 -0.50 0.00 0.00 59.36 58.75 3ns1 h GLU 676 Cb 0.57 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.39 3ns1 h GLU 676 CO 0.04 0.24 -0.17 0.45 -1.40 0.00 0.00 179.01 178.16 3ns1 h HIS 677 N 0.29 0.58 -0.22 4.33 3.86 -1.79 -2.45 115.15 119.76 3ns1 h HIS 677 Ca 0.08 -0.10 -0.03 0.00 -1.16 0.00 0.00 60.37 59.16 3ns1 h HIS 677 Cb 0.00 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.32 3ns1 h HIS 677 CO -0.05 0.68 0.02 0.00 0.86 0.00 0.00 177.93 179.43 3ns1 h ALA 678 N 1.34 0.29 -0.77 2.45 0.00 -0.92 -2.00 119.26 119.65 3ns1 h ALA 678 Ca 0.08 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 54.87 3ns1 h ALA 678 Cb 0.58 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 3ns1 h ALA 678 CO 0.04 -0.00 0.45 1.49 0.00 0.00 0.00 179.25 181.22 3ns1 h GLU 679 N 0.16 0.77 -0.28 0.00 4.81 -1.08 -1.32 114.58 117.64 3ns1 h GLU 679 Ca 0.06 -0.05 -0.16 0.00 -0.13 0.00 0.00 59.36 59.09 3ns1 h GLU 679 Cb 0.37 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 3ns1 h GLU 679 CO 0.01 0.51 -0.47 -0.09 -0.73 0.00 0.00 179.01 178.23 3ns1 h ARG 680 N 0.79 0.75 -0.12 1.92 2.43 -1.32 -2.49 114.38 116.34 3ns1 h ARG 680 Ca 0.35 -0.43 -0.23 0.00 -0.81 0.00 0.00 59.98 58.86 3ns1 h ARG 680 Cb 0.24 0.03 0.01 0.00 -0.42 0.00 0.00 29.97 29.84 3ns1 h ARG 680 CO -0.20 1.05 -0.82 0.00 -1.51 0.00 0.00 179.97 178.49 3ns1 h ALA 681 N 0.87 0.26 -0.22 2.80 0.00 -1.15 -3.26 119.26 118.56 3ns1 h ALA 681 Ca 0.03 -0.62 -0.01 0.00 0.00 0.00 0.00 54.91 54.31 3ns1 h ALA 681 Cb 1.04 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3ns1 h ALA 681 CO 0.10 0.66 0.09 0.00 0.00 0.00 0.00 179.25 180.10 3ns1 h ALA 682 N 0.51 0.28 -0.36 0.00 0.00 -1.28 -2.72 119.26 115.70 3ns1 h ALA 682 Ca -0.07 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 54.83 3ns1 h ALA 682 Cb 1.46 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 3ns1 h ALA 682 CO 0.17 -0.12 0.36 1.25 0.00 0.00 0.00 179.25 180.90 3ns1 h HIS 683 N 0.20 0.00 -0.03 0.00 6.17 -1.53 -2.58 115.15 117.39 3ns1 h HIS 683 Ca 0.07 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.15 3ns1 h HIS 683 Cb 0.18 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.11 3ns1 h HIS 683 CO -0.01 0.00 -0.09 0.28 0.71 0.00 0.00 177.93 178.82 3ns1 n VAL 684 N -3.84 0.00 -2.14 5.26 0.31 -1.03 -4.90 118.33 111.98 3ns1 n VAL 684 Ca 0.06 -0.42 -0.42 0.00 -0.01 0.00 0.00 64.34 63.54 3ns1 n VAL 684 Cb 0.52 1.33 -0.03 0.00 -0.91 0.00 0.00 33.84 34.75 3ns1 n VAL 684 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3ns1 s VAL 685 N -2.09 3.54 -0.22 2.52 1.01 -0.98 -4.42 120.40 119.76 3ns1 s VAL 685 Ca 0.27 0.92 -0.12 0.00 0.00 0.00 0.00 61.98 63.05 3ns1 s VAL 685 Cb 0.20 -3.59 -0.05 0.00 0.00 0.00 0.00 36.38 32.94 3ns1 s VAL 685 CO 0.36 -0.01 0.24 -0.54 0.00 0.00 0.00 175.10 175.15 3ns1 s LYS 686 N 2.57 4.13 -0.09 2.72 3.01 -0.79 -4.95 119.74 126.34 3ns1 s LYS 686 Ca 0.67 -0.10 0.01 0.00 -1.01 0.00 0.00 55.97 55.54 3ns1 s LYS 686 Cb -0.33 -3.52 -0.02 0.00 -1.01 0.00 0.00 37.83 32.94 3ns1 s LYS 686 CO 0.28 0.07 -0.12 0.08 0.51 0.00 0.00 175.35 176.16 3ns1 s VAL 687 N 1.03 3.20 -0.13 3.17 1.01 -1.26 -0.51 120.40 126.91 3ns1 s VAL 687 Ca 0.12 -0.64 -0.04 0.00 0.00 0.00 0.00 61.98 61.42 3ns1 s VAL 687 Cb -0.14 -2.31 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 3ns1 s VAL 687 CO 0.05 0.56 0.01 -0.89 0.00 0.00 0.00 175.10 174.82 3ns1 s THR 688 N -0.26 4.31 0.22 3.92 2.01 -0.56 -5.00 115.64 120.29 3ns1 s THR 688 Ca 0.02 -0.23 0.10 0.00 0.31 0.00 0.00 61.69 61.90 3ns1 s THR 688 Cb -0.13 -2.87 -0.05 0.00 0.01 0.00 0.00 72.50 69.47 3ns1 s THR 688 CO 0.03 0.54 -0.19 -0.31 -0.69 0.00 0.00 174.62 173.99 3ns1 s TYR 689 N -0.20 2.05 -0.19 4.92 1.51 -1.26 -0.20 117.35 123.97 3ns1 s TYR 689 Ca 0.05 -0.42 0.01 0.00 -1.01 0.00 0.00 57.07 55.70 3ns1 s TYR 689 Cb -0.12 -0.95 0.04 0.00 -0.11 0.00 0.00 41.96 40.82 3ns1 s TYR 689 CO 0.02 0.51 -0.11 -2.00 -1.11 0.00 0.00 175.55 172.86 3ns1 s GLU 690 N -3.25 2.08 0.46 -0.62 2.12 -0.46 -4.84 118.70 114.18 3ns1 s GLU 690 Ca 0.23 -0.80 -0.25 0.00 0.36 0.00 0.00 54.97 54.52 3ns1 s GLU 690 Cb -0.05 -2.37 -0.08 0.00 0.26 0.00 0.00 34.13 31.90 3ns1 s GLU 690 CO 0.10 -0.40 1.38 -0.51 -0.54 0.00 0.00 175.26 175.30 3ns1 s ASP 691 N 1.41 5.88 0.09 -1.70 1.01 -1.26 -1.47 116.67 120.63 3ns1 s ASP 691 Ca -0.00 2.82 0.10 0.00 0.71 0.00 0.00 52.55 56.18 3ns1 s ASP 691 Cb -0.16 -2.65 -0.04 0.00 1.01 0.00 0.00 42.92 41.09 3ns1 s ASP 691 CO -0.09 -1.16 -0.26 -0.76 0.21 0.00 0.00 175.17 173.11 3ns1 s LEU 692 N -2.79 2.30 0.42 1.23 1.43 0.35 -4.85 118.68 116.75 3ns1 s LEU 692 Ca 0.62 -0.67 -0.25 0.00 -1.03 0.00 0.00 54.13 52.80 3ns1 s LEU 692 Cb -0.42 -1.27 -0.10 0.00 0.03 0.00 0.00 46.19 44.43 3ns1 s LEU 692 CO 0.53 0.21 1.19 -0.81 0.23 0.00 0.00 176.35 177.70 3ns1 n PRO 693 N 1.25 1.74 -4.36 1.29 -0.04 -1.26 -4.58 135.00 129.04 3ns1 n PRO 693 Ca -0.17 0.62 -0.27 0.00 -0.04 0.00 0.00 63.50 63.64 3ns1 n PRO 693 Cb 0.53 -2.27 -0.13 0.00 -0.04 0.00 0.00 33.50 31.59 3ns1 n PRO 693 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ns1 s ALA 694 N -1.21 2.21 -0.22 0.55 0.00 -1.26 -4.95 121.76 116.88 3ns1 s ALA 694 Ca 0.62 -1.42 -0.02 0.00 0.00 0.00 0.00 51.96 51.14 3ns1 s ALA 694 Cb -0.53 -0.33 0.01 0.00 0.00 0.00 0.00 23.12 22.27 3ns1 s ALA 694 CO 0.58 0.47 -0.09 0.42 0.00 0.00 0.00 175.76 177.13 3ns1 s ILE 695 N -1.17 2.85 -0.12 0.00 1.01 -1.26 -5.00 121.20 117.50 3ns1 s ILE 695 Ca 0.12 -0.80 -0.06 0.00 0.00 0.00 0.00 60.65 59.91 3ns1 s ILE 695 Cb -0.10 -2.33 -0.05 0.00 0.01 0.00 0.00 42.46 39.99 3ns1 s ILE 695 CO 0.06 0.37 -0.16 -0.38 0.00 0.00 0.00 174.94 174.83 3ns1 n ILE 696 N 4.70 0.73 -2.61 2.92 -0.00 -1.26 -0.23 119.36 123.60 3ns1 n ILE 696 Ca -0.18 -0.16 -0.25 0.00 -0.00 0.00 0.00 62.75 62.16 3ns1 n ILE 696 Cb 0.49 -1.68 0.03 0.00 -0.00 0.00 0.00 39.64 38.48 3ns1 n ILE 696 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.55 176.97 3ns1 s THR 697 N -2.24 3.61 0.17 1.39 -4.23 -1.26 -4.85 115.64 108.23 3ns1 s THR 697 Ca -0.18 -0.25 -0.13 0.00 -1.18 0.00 0.00 61.69 59.95 3ns1 s THR 697 Cb 0.07 -3.40 0.07 0.00 1.34 0.00 0.00 72.50 70.58 3ns1 s THR 697 CO 0.22 -0.35 1.82 0.40 -0.54 0.00 0.00 174.62 176.17 3ns1 h ILE 698 N 0.03 1.16 -0.64 2.99 2.04 -1.98 -1.87 117.51 119.24 3ns1 h ILE 698 Ca -0.45 -0.35 0.07 0.00 1.00 0.00 0.00 64.86 65.13 3ns1 h ILE 698 Cb 1.26 0.39 -0.06 0.00 -0.74 0.00 0.00 36.82 37.67 3ns1 h ILE 698 CO 0.59 0.16 0.34 -0.33 0.00 0.00 0.00 178.15 178.91 3ns1 h GLU 699 N 0.75 0.60 -0.84 2.37 3.07 -2.00 -0.39 114.58 118.14 3ns1 h GLU 699 Ca 0.20 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 59.01 3ns1 h GLU 699 Cb -0.03 -0.13 -0.04 0.00 -0.84 0.00 0.00 28.75 27.70 3ns1 h GLU 699 CO -0.04 0.40 0.45 -0.44 -1.40 0.00 0.00 179.01 177.98 3ns1 h ASP 700 N 0.62 1.06 -0.36 1.42 3.32 -1.86 -2.62 116.42 118.00 3ns1 h ASP 700 Ca 0.30 -0.10 -0.09 0.00 0.02 0.00 0.00 57.03 57.16 3ns1 h ASP 700 Cb 0.23 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 3ns1 h ASP 700 CO -0.21 0.86 -0.11 0.00 -1.72 0.00 0.00 179.24 178.06 3ns1 h ALA 701 N 1.24 0.49 0.06 3.45 0.00 -0.45 -2.02 119.26 122.04 3ns1 h ALA 701 Ca 0.30 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3ns1 h ALA 701 Cb 0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3ns1 h ALA 701 CO -0.05 0.37 -0.10 0.82 0.00 0.00 0.00 179.25 180.30 3ns1 h ILE 702 N 0.50 0.77 0.00 0.00 2.04 -1.01 0.97 117.51 120.77 3ns1 h ILE 702 Ca 0.09 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.86 3ns1 h ILE 702 Cb 0.63 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 3ns1 h ILE 702 CO 0.04 0.00 -0.44 0.07 0.00 0.00 0.00 178.15 177.83 3ns1 h LYS 703 N -0.20 0.00 -0.23 2.37 2.10 -1.46 -0.79 116.57 118.37 3ns1 h LYS 703 Ca 0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.67 3ns1 h LYS 703 Cb 0.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.54 3ns1 h LYS 703 CO -0.05 0.44 0.00 0.09 -2.00 0.00 0.00 179.45 177.92 3ns1 n ASN 704 N -3.98 2.03 -3.76 7.07 3.02 -0.76 -4.98 115.26 113.89 3ns1 n ASN 704 Ca -0.02 -1.79 -0.26 0.00 -0.03 0.00 0.00 54.58 52.49 3ns1 n ASN 704 Cb 0.47 -0.14 0.04 0.00 -0.61 0.00 0.00 39.78 39.53 3ns1 n ASN 704 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3ns1 n ASN 705 N 0.56 -3.92 -4.28 6.41 5.15 0.18 -4.93 115.26 114.44 3ns1 n ASN 705 Ca 0.16 -0.73 -0.44 0.00 -0.60 0.00 0.00 54.58 52.97 3ns1 n ASN 705 Cb 0.38 -4.24 -0.02 0.00 -0.53 0.00 0.00 39.78 35.37 3ns1 n ASN 705 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 3ns1 s SER 706 N -3.68 6.77 0.14 1.20 0.15 -0.32 -5.03 113.70 112.94 3ns1 s SER 706 Ca 0.42 -3.23 0.08 0.00 0.70 0.00 0.00 55.95 53.92 3ns1 s SER 706 Cb -0.20 -2.14 -0.04 0.00 -1.71 0.00 0.00 66.02 61.93 3ns1 s SER 706 CO 0.80 -0.38 -0.19 -0.36 1.20 0.00 0.00 173.24 174.31 3ns1 s PHE 707 N -0.67 1.76 -0.06 3.44 0.40 -1.26 0.39 117.98 121.97 3ns1 s PHE 707 Ca 0.25 -0.46 -0.18 0.00 -0.60 0.00 0.00 56.93 55.93 3ns1 s PHE 707 Cb -0.11 -0.91 -0.05 0.00 0.51 0.00 0.00 43.02 42.47 3ns1 s PHE 707 CO -0.09 0.27 0.50 0.71 0.70 0.00 0.00 175.22 177.31 3ns1 s TYR 708 N -1.76 3.60 0.00 0.36 1.51 -0.70 -4.80 117.35 115.56 3ns1 s TYR 708 Ca 0.12 1.00 0.00 0.00 -1.01 0.00 0.00 57.07 57.17 3ns1 s TYR 708 Cb -0.07 -2.52 0.00 0.00 -0.11 0.00 0.00 41.96 39.26 3ns1 s TYR 708 CO 0.05 0.31 0.00 0.41 -1.11 0.00 0.00 175.55 175.21 3ns1 n GLY 709 N 2.77 0.38 3.62 0.71 0.00 -1.26 -4.53 105.19 106.88 3ns1 n GLY 709 Ca -0.08 -0.82 -0.27 0.00 0.00 0.00 0.00 46.02 44.85 3ns1 n GLY 709 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ns1 s SER 710 N -4.00 3.94 0.18 1.61 1.04 -1.26 -4.96 113.70 110.25 3ns1 s SER 710 Ca 0.00 -1.29 -0.31 0.00 0.48 0.00 0.00 55.95 54.83 3ns1 s SER 710 Cb 0.00 -0.41 -0.16 0.00 0.10 0.00 0.00 66.02 65.55 3ns1 s SER 710 CO 0.00 -0.41 0.88 1.21 0.98 0.00 0.00 173.24 175.90 3ns1 n GLU 711 N -0.97 0.61 -3.98 4.02 2.13 -1.26 -4.96 120.64 116.23 3ns1 n GLU 711 Ca -0.04 0.22 -0.32 0.00 0.66 0.00 0.00 57.16 57.67 3ns1 n GLU 711 Cb 0.66 -1.50 -0.05 0.00 0.27 0.00 0.00 31.44 30.82 3ns1 n GLU 711 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3ns1 s LEU 712 N 1.39 4.15 -0.09 4.31 1.43 -0.62 -4.96 118.68 124.29 3ns1 s LEU 712 Ca 0.69 0.20 -0.13 0.00 -1.03 0.00 0.00 54.13 53.86 3ns1 s LEU 712 Cb -0.91 -2.65 0.03 0.00 0.03 0.00 0.00 46.19 42.69 3ns1 s LEU 712 CO 0.56 0.21 0.34 -0.75 0.23 0.00 0.00 176.35 176.94 3ns1 s LYS 713 N -2.22 0.49 -0.03 1.70 2.20 -1.26 -1.38 119.74 119.23 3ns1 s LYS 713 Ca 0.30 0.27 0.03 0.00 -0.36 0.00 0.00 55.97 56.21 3ns1 s LYS 713 Cb -0.13 0.23 0.00 0.00 -1.51 0.00 0.00 37.83 36.43 3ns1 s LYS 713 CO 0.22 -0.09 -0.09 0.42 -0.36 0.00 0.00 175.35 175.45 3ns1 s ILE 714 N -0.29 0.82 -0.14 5.43 1.01 -0.73 -5.01 121.20 122.28 3ns1 s ILE 714 Ca -0.04 -0.37 -0.07 0.00 0.00 0.00 0.00 60.65 60.17 3ns1 s ILE 714 Cb -0.03 -0.73 0.06 0.00 0.01 0.00 0.00 42.46 41.77 3ns1 s ILE 714 CO 0.02 0.26 0.32 -0.70 0.00 0.00 0.00 174.94 174.84 3ns1 s GLU 715 N 0.22 0.26 0.03 2.79 2.12 -1.26 -1.14 118.70 121.72 3ns1 s GLU 715 Ca -0.04 0.74 0.04 0.00 0.36 0.00 0.00 54.97 56.07 3ns1 s GLU 715 Cb -0.09 -0.00 -0.02 0.00 0.26 0.00 0.00 34.13 34.28 3ns1 s GLU 715 CO 0.01 -0.20 -0.11 0.21 -0.54 0.00 0.00 175.26 174.62 3ns1 s LYS 716 N 1.79 0.78 2.72 4.30 2.20 -0.12 -5.01 119.74 126.39 3ns1 s LYS 716 Ca -0.06 -0.64 0.00 0.00 -0.36 0.00 0.00 55.97 54.91 3ns1 s LYS 716 Cb -0.10 -0.73 0.00 0.00 -1.51 0.00 0.00 37.83 35.48 3ns1 s LYS 716 CO -0.10 0.18 0.00 0.41 -0.36 0.00 0.00 175.35 175.48 3ns1 n GLY 717 N 2.06 -0.68 2.96 5.54 0.00 -1.26 -1.16 105.19 112.64 3ns1 n GLY 717 Ca -0.18 -1.15 -0.30 0.00 0.00 0.00 0.00 46.02 44.39 3ns1 n GLY 717 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ns1 s ASP 718 N -4.00 3.33 -0.06 1.61 3.68 -1.26 -4.89 116.67 115.08 3ns1 s ASP 718 Ca 0.00 -0.88 -0.14 0.00 2.13 0.00 0.00 52.55 53.65 3ns1 s ASP 718 Cb 0.00 -1.14 -0.10 0.00 -1.45 0.00 0.00 42.92 40.24 3ns1 s ASP 718 CO 0.00 -0.17 0.58 -0.07 0.13 0.00 0.00 175.17 175.64 3ns1 h LEU 719 N 8.01 -0.27 -9.44 -1.34 3.38 -1.91 -2.60 115.31 111.14 3ns1 h LEU 719 Ca -0.25 -0.14 -0.62 0.00 0.09 0.00 0.00 57.88 56.96 3ns1 h LEU 719 Cb 1.10 0.07 0.08 0.00 0.09 0.00 0.00 40.66 41.99 3ns1 h LEU 719 CO 0.44 0.24 0.44 0.29 0.09 0.00 0.00 178.44 179.94 3ns1 n LYS 720 N -4.98 1.55 0.00 1.13 5.02 -1.26 -1.44 118.16 118.18 3ns1 n LYS 720 Ca -0.06 0.55 0.00 0.00 -2.02 0.00 0.00 58.31 56.78 3ns1 n LYS 720 Cb 0.20 -2.13 0.00 0.00 -0.02 0.00 0.00 35.03 33.08 3ns1 n LYS 720 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3ns1 n LYS 721 N 1.98 0.00 -0.06 1.97 4.81 -1.26 -4.68 118.16 120.92 3ns1 n LYS 721 Ca 0.14 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.48 3ns1 n LYS 721 Cb 0.27 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.25 3ns1 n LYS 721 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 3ns1 h GLY 722 N 0.00 -1.27 1.16 3.14 0.00 -1.02 -0.41 103.07 104.67 3ns1 h GLY 722 Ca 0.00 0.73 -0.06 0.00 0.00 0.00 0.00 47.33 47.99 3ns1 h GLY 722 CO 0.00 -0.31 0.16 0.74 0.00 0.00 0.00 176.54 177.13 3ns1 h PHE 723 N -0.33 1.09 0.00 5.60 -1.00 -1.52 -2.47 116.94 118.31 3ns1 h PHE 723 Ca 0.04 -0.12 0.00 0.00 2.81 0.00 0.00 57.97 60.70 3ns1 h PHE 723 Cb 0.44 -0.31 0.00 0.00 3.61 0.00 0.00 35.95 39.69 3ns1 h PHE 723 CO -0.63 0.89 0.00 0.66 -1.61 0.00 0.00 178.31 177.62 3ns1 h SER 724 N 0.99 0.00 -0.02 2.17 4.64 -1.73 -2.60 113.55 117.01 3ns1 h SER 724 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 3ns1 h SER 724 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 3ns1 h SER 724 CO 0.00 0.00 -0.03 -1.84 -0.87 0.00 0.00 176.83 174.09 3ns1 n GLU 725 N -2.61 1.11 -2.21 4.77 0.28 -0.19 -4.94 120.64 116.85 3ns1 n GLU 725 Ca -0.00 -1.31 -0.41 0.00 -0.16 0.00 0.00 57.16 55.28 3ns1 n GLU 725 Cb 0.18 -1.27 -0.03 0.00 1.43 0.00 0.00 31.44 31.75 3ns1 n GLU 725 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3ns1 s ALA 726 N -1.27 3.49 0.19 -1.84 0.00 -0.98 -4.94 121.76 116.41 3ns1 s ALA 726 Ca 0.17 1.16 -0.01 0.00 0.00 0.00 0.00 51.96 53.27 3ns1 s ALA 726 Cb 0.12 -3.45 0.12 0.00 0.00 0.00 0.00 23.12 19.91 3ns1 s ALA 726 CO 0.20 -0.52 1.49 -0.44 0.00 0.00 0.00 175.76 176.49 3ns1 h ASP 727 N 3.85 0.51 -5.23 0.00 3.32 -1.60 -3.47 116.42 113.81 3ns1 h ASP 727 Ca -0.48 -0.30 -0.11 0.00 0.02 0.00 0.00 57.03 56.16 3ns1 h ASP 727 Cb 1.22 -0.15 -0.15 0.00 0.22 0.00 0.00 39.33 40.47 3ns1 h ASP 727 CO 0.68 1.01 -0.60 0.20 -1.72 0.00 0.00 179.24 178.81 3ns1 s ASN 728 N -6.94 0.38 0.04 6.45 0.01 -0.82 -5.01 114.94 109.06 3ns1 s ASN 728 Ca -0.06 -0.92 0.01 0.00 -0.71 0.00 0.00 52.86 51.18 3ns1 s ASN 728 Cb 0.11 0.24 -0.03 0.00 0.41 0.00 0.00 41.25 41.99 3ns1 s ASN 728 CO 0.83 -0.64 -0.05 -0.69 -1.51 0.00 0.00 177.10 175.04 3ns1 s VAL 729 N -3.91 0.35 -0.03 1.60 1.01 -1.26 -2.07 120.40 116.08 3ns1 s VAL 729 Ca 0.07 -1.21 -0.03 0.00 0.00 0.00 0.00 61.98 60.81 3ns1 s VAL 729 Cb 0.07 -0.72 0.01 0.00 0.00 0.00 0.00 36.38 35.74 3ns1 s VAL 729 CO -0.10 -0.57 0.10 -0.69 0.00 0.00 0.00 175.10 173.84 3ns1 s VAL 730 N -2.00 0.00 0.16 2.92 1.01 -0.40 -5.00 120.40 117.09 3ns1 s VAL 730 Ca -0.08 -0.04 -0.05 0.00 0.00 0.00 0.00 61.98 61.82 3ns1 s VAL 730 Cb -0.06 -0.16 -0.03 0.00 0.00 0.00 0.00 36.38 36.14 3ns1 s VAL 730 CO -0.02 -0.02 0.18 -0.94 0.00 0.00 0.00 175.10 174.30 3ns1 s SER 731 N -0.01 0.16 0.00 3.32 1.04 -1.26 -1.27 113.70 115.68 3ns1 s SER 731 Ca -0.01 -1.10 0.00 0.00 0.48 0.00 0.00 55.95 55.32 3ns1 s SER 731 Cb -0.01 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.49 3ns1 s SER 731 CO 0.00 -0.83 0.00 0.61 0.98 0.00 0.00 173.24 174.00 3ns1 n GLY 732 N -0.19 -0.86 2.99 7.32 0.00 -1.03 -5.01 105.19 108.41 3ns1 n GLY 732 Ca -0.05 -0.80 -0.12 0.00 0.00 0.00 0.00 46.02 45.05 3ns1 n GLY 732 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ns1 s GLU 733 N -0.51 0.15 0.01 1.61 2.12 -1.26 -2.38 118.70 118.45 3ns1 s GLU 733 Ca 0.00 0.13 0.01 0.00 0.36 0.00 0.00 54.97 55.48 3ns1 s GLU 733 Cb 0.00 0.07 -0.01 0.00 0.26 0.00 0.00 34.13 34.45 3ns1 s GLU 733 CO 0.00 -0.02 -0.05 -1.17 -0.54 0.00 0.00 175.26 173.48 3ns1 s LEU 734 N -0.00 2.12 -0.01 2.70 2.96 -0.73 -4.96 118.68 120.76 3ns1 s LEU 734 Ca -0.01 -0.28 0.06 0.00 -0.22 0.00 0.00 54.13 53.68 3ns1 s LEU 734 Cb -0.01 -0.14 -0.02 0.00 0.50 0.00 0.00 46.19 46.52 3ns1 s LEU 734 CO 0.00 -0.08 -0.18 -0.47 -1.32 0.00 0.00 176.35 174.30 3ns1 s TYR 735 N -0.68 1.65 -0.17 5.38 5.04 -1.26 -0.82 117.35 126.49 3ns1 s TYR 735 Ca -0.04 -0.32 -0.01 0.00 -2.44 0.00 0.00 57.07 54.26 3ns1 s TYR 735 Cb -0.05 -1.05 0.05 0.00 0.35 0.00 0.00 41.96 41.25 3ns1 s TYR 735 CO -0.00 -0.02 -0.02 -1.50 -1.34 0.00 0.00 175.55 172.68 3ns1 s ILE 736 N -0.47 0.88 0.99 3.14 2.07 0.88 -2.13 121.20 126.57 3ns1 s ILE 736 Ca 0.07 -0.60 -0.11 0.00 -1.41 0.00 0.00 60.65 58.60 3ns1 s ILE 736 Cb -0.07 -1.18 0.16 0.00 0.13 0.00 0.00 42.46 41.50 3ns1 s ILE 736 CO -0.00 -0.00 0.96 0.61 -1.91 0.00 0.00 174.94 174.59 3ns1 n GLY 737 N 4.94 -1.09 0.00 1.50 0.00 -0.62 -1.27 105.19 108.65 3ns1 n GLY 737 Ca -0.10 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.09 3ns1 n GLY 737 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ns1 n GLY 738 N 0.70 0.14 3.64 -0.02 0.00 -1.26 -4.65 105.19 103.75 3ns1 n GLY 738 Ca 0.09 -1.57 -0.05 0.00 0.00 0.00 0.00 46.02 44.49 3ns1 n GLY 738 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3ns1 s GLN 739 N 0.10 0.33 0.13 1.61 0.74 -1.26 -4.83 119.66 116.48 3ns1 s GLN 739 Ca 0.00 0.45 -0.10 0.00 0.05 0.00 0.00 55.36 55.76 3ns1 s GLN 739 Cb 0.00 0.13 -0.06 0.00 1.10 0.00 0.00 33.01 34.18 3ns1 s GLN 739 CO 0.00 -0.05 0.45 0.34 -0.55 0.00 0.00 175.29 175.49 3ns1 s ASP 740 N 0.55 6.65 0.16 6.67 -1.08 -1.26 -1.30 116.67 127.06 3ns1 s ASP 740 Ca -0.00 0.84 -0.10 0.00 -0.52 0.00 0.00 52.55 52.77 3ns1 s ASP 740 Cb -0.04 -2.20 0.01 0.00 -1.46 0.00 0.00 42.92 39.23 3ns1 s ASP 740 CO -0.11 0.09 1.56 0.45 0.52 0.00 0.00 175.17 177.68 3ns1 h HIS 741 N 3.32 1.13 -6.80 -5.34 3.86 -1.96 -3.47 115.15 105.89 3ns1 h HIS 741 Ca -0.48 -0.26 -0.56 0.00 -1.16 0.00 0.00 60.37 57.91 3ns1 h HIS 741 Cb 1.18 -0.27 -0.18 0.00 1.06 0.00 0.00 27.41 29.21 3ns1 h HIS 741 CO 0.64 1.08 -0.89 0.34 0.86 0.00 0.00 177.93 179.96 3ns1 n PHE 742 N -4.14 -1.53 -1.70 2.45 7.35 -1.26 -4.91 117.46 113.73 3ns1 n PHE 742 Ca 0.00 0.72 -0.44 0.00 -0.76 0.00 0.00 57.45 56.98 3ns1 n PHE 742 Cb 0.44 -3.05 -0.03 0.00 0.35 0.00 0.00 39.48 37.19 3ns1 n PHE 742 CO 0.00 0.00 0.00 2.48 -0.76 0.00 0.00 176.76 178.48 3ns1 n TYR 743 N -4.40 2.43 -0.17 -5.13 0.18 -1.26 -4.91 117.16 103.90 3ns1 n TYR 743 Ca -0.15 0.31 0.07 0.00 1.88 0.00 0.00 57.90 60.01 3ns1 n TYR 743 Cb 0.60 -2.54 0.37 0.00 -0.38 0.00 0.00 39.34 37.40 3ns1 n TYR 743 CO 0.00 0.00 0.00 -0.07 -2.08 0.00 0.00 176.86 174.71 3ns1 h LEU 744 N 4.99 0.63 -8.97 -3.48 -0.00 -1.90 -3.38 115.31 103.20 3ns1 h LEU 744 Ca -0.45 0.01 -0.62 0.00 -0.00 0.00 0.00 57.88 56.81 3ns1 h LEU 744 Cb 1.25 -0.13 -0.14 0.00 -0.00 0.00 0.00 40.66 41.64 3ns1 h LEU 744 CO 0.81 0.40 -0.15 -0.70 -0.00 0.00 0.00 178.44 178.81 3ns1 s GLU 745 N -5.64 4.05 0.69 1.13 2.12 -0.89 -5.10 118.70 115.06 3ns1 s GLU 745 Ca -0.09 0.16 -0.12 0.00 0.36 0.00 0.00 54.97 55.28 3ns1 s GLU 745 Cb 0.19 -3.64 0.17 0.00 0.26 0.00 0.00 34.13 31.11 3ns1 s GLU 745 CO 0.77 -0.28 0.64 0.25 -0.54 0.00 0.00 175.26 176.09 3ns1 n THR 746 N 5.06 0.00 -2.00 -1.70 -2.24 -1.26 -4.79 114.28 107.35 3ns1 n THR 746 Ca -0.07 -0.30 -0.34 0.00 -2.27 0.00 0.00 64.05 61.07 3ns1 n THR 746 Cb 0.50 -1.18 0.03 0.00 -2.10 0.00 0.00 70.33 67.58 3ns1 n THR 746 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3ns1 s HIS 747 N -2.18 2.60 -0.29 4.78 0.09 -1.26 -4.85 115.29 114.18 3ns1 s HIS 747 Ca 0.41 1.55 -0.15 0.00 -0.00 0.00 0.00 55.06 56.86 3ns1 s HIS 747 Cb -0.04 -3.27 0.15 0.00 -0.00 0.00 0.00 32.58 29.42 3ns1 s HIS 747 CO 0.31 -1.73 0.93 0.00 -0.00 0.00 0.00 174.74 174.25 3ns1 s THR 749 N 1.91 0.37 -0.11 0.00 2.01 -1.05 -1.33 115.64 117.44 3ns1 s THR 749 Ca -0.07 -0.18 -0.01 0.00 0.31 0.00 0.00 61.69 61.75 3ns1 s THR 749 Cb -0.05 -0.33 -0.02 0.00 0.01 0.00 0.00 72.50 72.10 3ns1 s THR 749 CO -0.17 0.11 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.17 3ns1 s ILE 750 N 0.02 3.54 -0.13 1.82 1.01 0.66 -2.46 121.20 125.66 3ns1 s ILE 750 Ca 0.00 -0.51 0.02 0.00 0.00 0.00 0.00 60.65 60.16 3ns1 s ILE 750 Cb -0.03 -2.49 0.01 0.00 0.01 0.00 0.00 42.46 39.96 3ns1 s ILE 750 CO -0.00 0.55 -0.18 0.00 0.00 0.00 0.00 174.94 175.30 3ns1 s ALA 751 N -0.16 1.98 -0.32 9.38 0.00 -0.45 -0.79 121.76 131.39 3ns1 s ALA 751 Ca 0.02 -0.92 -0.03 0.00 0.00 0.00 0.00 51.96 51.03 3ns1 s ALA 751 Cb -0.13 -0.92 0.05 0.00 0.00 0.00 0.00 23.12 22.12 3ns1 s ALA 751 CO 0.03 -0.07 0.05 0.42 0.00 0.00 0.00 175.76 176.18 3ns1 s ILE 752 N 0.93 3.20 0.01 0.00 1.01 0.84 -1.81 121.20 125.37 3ns1 s ILE 752 Ca -0.06 -1.40 -0.26 0.00 0.00 0.00 0.00 60.65 58.93 3ns1 s ILE 752 Cb -0.15 -2.87 -0.04 0.00 0.01 0.00 0.00 42.46 39.40 3ns1 s ILE 752 CO -0.02 -0.19 0.82 -2.16 0.00 0.00 0.00 174.94 173.39 3ns1 s PRO 753 N 1.27 4.52 0.20 2.79 0.04 -1.26 -1.90 135.00 140.66 3ns1 s PRO 753 Ca -0.03 1.15 0.12 0.00 0.04 0.00 0.00 61.00 62.28 3ns1 s PRO 753 Cb -0.20 -3.41 -0.05 0.00 0.04 0.00 0.00 34.50 30.87 3ns1 s PRO 753 CO -0.01 0.13 1.32 0.87 0.04 0.00 0.00 177.00 179.35 3ns1 h LYS 754 N 6.25 0.00 0.00 4.56 1.79 -1.78 -3.47 116.57 123.92 3ns1 h LYS 754 Ca -0.42 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.05 3ns1 h LYS 754 Cb 1.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.86 3ns1 h LYS 754 CO 0.73 0.66 0.00 0.41 -1.08 0.00 0.00 179.45 180.17 3ns1 n GLY 755 N 1.29 1.37 3.42 3.86 0.00 -1.26 -5.04 105.19 108.83 3ns1 n GLY 755 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3ns1 n GLY 755 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ns1 s GLU 756 N -0.40 3.51 -1.48 1.61 2.02 -1.26 -4.84 118.70 117.87 3ns1 s GLU 756 Ca 0.00 -0.60 0.00 0.00 0.02 0.00 0.00 54.97 54.39 3ns1 s GLU 756 Cb 0.00 -2.83 0.00 0.00 0.10 0.00 0.00 34.13 31.40 3ns1 s GLU 756 CO 0.00 0.15 0.00 0.39 0.02 0.00 0.00 175.26 175.82 3ns1 n GLU 757 N 3.77 -1.39 -0.68 1.61 -0.58 -1.26 -0.22 120.64 121.90 3ns1 n GLU 757 Ca -0.18 0.82 0.00 0.00 -0.42 0.00 0.00 57.16 57.38 3ns1 n GLU 757 Cb 0.52 -5.12 0.00 0.00 -0.57 0.00 0.00 31.44 26.27 3ns1 n GLU 757 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ns1 n GLY 758 N -0.32 1.48 3.58 0.62 0.00 -1.26 -4.99 105.19 104.30 3ns1 n GLY 758 Ca -0.14 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.40 3ns1 n GLY 758 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ns1 n GLU 759 N -2.00 1.20 -3.74 1.61 1.02 0.69 -4.87 120.64 114.56 3ns1 n GLU 759 Ca 0.00 0.43 -0.12 0.00 -0.02 0.00 0.00 57.16 57.44 3ns1 n GLU 759 Cb 0.00 -1.89 -0.11 0.00 -0.02 0.00 0.00 31.44 29.43 3ns1 n GLU 759 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 3ns1 s MET 760 N -0.66 0.39 -0.11 3.49 1.75 -0.89 -2.09 119.30 121.18 3ns1 s MET 760 Ca 0.69 0.54 0.02 0.00 -1.25 0.00 0.00 55.69 55.70 3ns1 s MET 760 Cb -0.81 0.13 -0.01 0.00 2.84 0.00 0.00 34.83 36.98 3ns1 s MET 760 CO 0.54 -0.08 -0.19 -2.00 -0.65 0.00 0.00 175.02 172.65 3ns1 s GLU 761 N 0.49 3.17 -0.05 4.11 2.12 -0.80 -1.31 118.70 126.44 3ns1 s GLU 761 Ca -0.02 -0.78 0.04 0.00 0.36 0.00 0.00 54.97 54.56 3ns1 s GLU 761 Cb -0.04 -2.45 -0.00 0.00 0.26 0.00 0.00 34.13 31.89 3ns1 s GLU 761 CO -0.03 0.22 -0.17 -0.51 -0.54 0.00 0.00 175.26 174.23 3ns1 s LEU 762 N 0.29 1.91 -0.27 2.70 1.02 -0.03 -0.11 118.68 124.19 3ns1 s LEU 762 Ca -0.14 -0.36 -0.06 0.00 0.02 0.00 0.00 54.13 53.59 3ns1 s LEU 762 Cb -0.17 -0.98 -0.01 0.00 0.02 0.00 0.00 46.19 45.06 3ns1 s LEU 762 CO 0.07 0.15 0.05 -0.36 0.02 0.00 0.00 176.35 176.28 3ns1 s PHE 763 N 0.08 3.09 -0.02 0.29 0.40 0.03 -1.21 117.98 120.65 3ns1 s PHE 763 Ca -0.05 -0.80 -0.03 0.00 -0.60 0.00 0.00 56.93 55.46 3ns1 s PHE 763 Cb -0.12 -2.22 0.00 0.00 0.51 0.00 0.00 43.02 41.19 3ns1 s PHE 763 CO 0.02 -0.50 0.07 0.54 0.70 0.00 0.00 175.22 176.05 3ns1 s VAL 764 N 1.53 0.03 -1.14 -0.44 0.11 -1.03 -0.25 120.40 119.21 3ns1 s VAL 764 Ca 0.04 -0.25 -0.19 0.00 -2.93 0.00 0.00 61.98 58.66 3ns1 s VAL 764 Cb -0.16 -0.19 0.09 0.00 -1.53 0.00 0.00 36.38 34.59 3ns1 s VAL 764 CO 0.02 -0.13 1.51 -0.55 -3.33 0.00 0.00 175.10 172.61 3ns1 s SER 765 N -0.40 6.74 0.08 3.54 0.15 -0.44 -4.59 113.70 118.77 3ns1 s SER 765 Ca -0.05 -2.15 -0.07 0.00 0.70 0.00 0.00 55.95 54.38 3ns1 s SER 765 Cb -0.03 -2.52 -0.01 0.00 -1.71 0.00 0.00 66.02 61.74 3ns1 s SER 765 CO 0.00 -1.20 0.13 0.28 1.20 0.00 0.00 173.24 173.66 3ns1 s THR 766 N 3.83 0.16 -2.51 6.45 -1.32 -1.26 -4.64 115.64 116.35 3ns1 s THR 766 Ca 0.47 -1.37 0.24 0.00 -1.21 0.00 0.00 61.69 59.82 3ns1 s THR 766 Cb 0.00 -1.42 0.18 0.00 -1.51 0.00 0.00 72.50 69.75 3ns1 s THR 766 CO -0.02 -0.72 1.30 0.00 -2.21 0.00 0.00 174.62 172.97 3ns1 n GLN 767 N -0.02 1.75 -3.27 7.08 6.02 0.69 -4.70 117.38 124.93 3ns1 n GLN 767 Ca -0.14 -1.38 -0.25 0.00 -0.01 0.00 0.00 57.00 55.22 3ns1 n GLN 767 Cb 0.62 -1.47 -0.08 0.00 1.02 0.00 0.00 30.24 30.33 3ns1 n GLN 767 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3ns1 n ASN 768 N 0.58 -0.02 0.02 1.08 2.85 -1.25 -1.28 115.26 117.24 3ns1 n ASN 768 Ca 0.13 -2.59 0.03 0.00 -0.11 0.00 0.00 54.58 52.05 3ns1 n ASN 768 Cb 0.50 -0.61 0.41 0.00 1.24 0.00 0.00 39.78 41.33 3ns1 n ASN 768 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3ns1 h ALA 769 N 4.58 1.67 0.73 5.20 0.00 -1.91 -2.59 119.26 126.94 3ns1 h ALA 769 Ca 0.14 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3ns1 h ALA 769 Cb 0.89 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3ns1 h ALA 769 CO 0.43 0.29 -0.50 1.98 0.00 0.00 0.00 179.25 181.45 3ns1 h MET 770 N 0.51 -1.13 0.00 0.00 1.85 -1.91 -2.24 114.93 112.01 3ns1 h MET 770 Ca 0.13 0.08 -0.05 0.00 -0.61 0.00 0.00 59.70 59.25 3ns1 h MET 770 Cb 0.01 0.26 -0.01 0.00 0.43 0.00 0.00 31.60 32.29 3ns1 h MET 770 CO -0.02 -0.75 -0.24 0.87 -0.40 0.00 0.00 176.91 176.36 3ns1 h LYS 771 N -1.18 0.00 -0.72 0.39 1.79 -1.87 -1.98 116.57 113.00 3ns1 h LYS 771 Ca -0.10 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.37 3ns1 h LYS 771 Cb 0.96 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.57 3ns1 h LYS 771 CO 0.06 0.24 0.42 1.15 -1.08 0.00 0.00 179.45 180.24 3ns1 h THR 772 N 0.00 1.21 -0.48 -0.16 2.02 -1.33 -0.00 112.91 114.16 3ns1 h THR 772 Ca -0.00 -0.48 -0.12 0.00 0.77 0.00 0.00 66.41 66.58 3ns1 h THR 772 Cb 0.54 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 3ns1 h THR 772 CO 0.03 0.22 -0.17 -0.61 0.37 0.00 0.00 175.52 175.36 3ns1 h GLN 773 N 0.98 0.97 -0.24 6.66 4.15 -0.76 -2.32 115.11 124.54 3ns1 h GLN 773 Ca 0.26 -0.39 -0.04 0.00 0.77 0.00 0.00 58.65 59.25 3ns1 h GLN 773 Cb -0.01 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.62 3ns1 h GLN 773 CO -0.05 1.07 0.01 0.77 -1.93 0.00 0.00 178.83 178.70 3ns1 h SER 774 N 0.82 0.41 0.02 -0.69 0.02 -1.08 -2.51 113.55 110.53 3ns1 h SER 774 Ca 0.12 -0.29 -0.14 0.00 -0.84 0.00 0.00 61.79 60.63 3ns1 h SER 774 Cb 0.74 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.16 3ns1 h SER 774 CO 0.06 0.60 -0.48 -0.26 -1.14 0.00 0.00 176.83 175.61 3ns1 h PHE 775 N 0.20 0.65 -0.24 3.45 -1.00 -1.00 -1.56 116.94 117.45 3ns1 h PHE 775 Ca 0.07 -0.21 -0.05 0.00 2.81 0.00 0.00 57.97 60.59 3ns1 h PHE 775 Cb 0.38 -0.13 -0.01 0.00 3.61 0.00 0.00 35.95 39.80 3ns1 h PHE 775 CO 0.03 0.91 -0.03 0.28 -1.61 0.00 0.00 178.31 177.89 3ns1 h VAL 776 N 0.43 1.27 -0.33 -0.55 2.07 -1.42 -1.96 116.25 115.75 3ns1 h VAL 776 Ca 0.02 -0.99 -0.09 0.00 0.82 0.00 0.00 66.70 66.46 3ns1 h VAL 776 Cb 0.99 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 32.19 3ns1 h VAL 776 CO 0.09 0.31 -0.15 0.00 0.02 0.00 0.00 177.57 177.83 3ns1 h ALA 777 N 0.78 1.11 -0.22 1.67 0.00 -1.38 -0.92 119.26 120.30 3ns1 h ALA 777 Ca 0.06 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 3ns1 h ALA 777 Cb 0.47 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3ns1 h ALA 777 CO 0.02 0.55 0.02 -0.22 0.00 0.00 0.00 179.25 179.62 3ns1 h LYS 778 N 0.54 0.37 -0.70 0.00 3.64 -1.26 0.09 116.57 119.25 3ns1 h LYS 778 Ca 0.09 -0.11 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 3ns1 h LYS 778 Cb 0.58 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.33 3ns1 h LYS 778 CO 0.04 0.54 0.26 1.98 -2.27 0.00 0.00 179.45 179.99 3ns1 h MET 779 N 0.16 1.05 0.00 1.90 4.05 -1.07 -2.70 114.93 118.32 3ns1 h MET 779 Ca 0.06 -0.19 -0.11 0.00 -0.28 0.00 0.00 59.70 59.18 3ns1 h MET 779 Cb 0.36 -0.17 -0.02 0.00 -0.80 0.00 0.00 31.60 30.97 3ns1 h MET 779 CO 0.01 0.87 -0.53 -0.07 0.23 0.00 0.00 176.91 177.42 3ns1 h LEU 780 N 1.02 0.00 -1.22 3.39 3.38 -1.08 -0.77 115.31 120.03 3ns1 h LEU 780 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3ns1 h LEU 780 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3ns1 h LEU 780 CO -0.02 0.53 0.00 0.61 0.09 0.00 0.00 178.44 179.65 3ns1 n GLY 781 N 0.23 0.75 3.05 0.83 0.00 -0.09 -3.73 105.19 106.23 3ns1 n GLY 781 Ca -0.01 -0.51 -0.11 0.00 0.00 0.00 0.00 46.02 45.38 3ns1 n GLY 781 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ns1 s VAL 782 N -2.81 0.05 0.60 1.61 1.01 -0.54 -5.00 120.40 115.32 3ns1 s VAL 782 Ca 0.00 -0.41 -0.20 0.00 0.00 0.00 0.00 61.98 61.37 3ns1 s VAL 782 Cb 0.00 -0.30 -0.03 0.00 0.00 0.00 0.00 36.38 36.05 3ns1 s VAL 782 CO 0.00 -0.23 1.33 -2.84 0.00 0.00 0.00 175.10 173.37 3ns1 s PRO 783 N -0.75 2.84 0.53 2.72 0.02 -1.26 -4.47 135.00 134.64 3ns1 s PRO 783 Ca -0.08 2.17 0.21 0.00 0.02 0.00 0.00 61.00 63.31 3ns1 s PRO 783 Cb -0.05 -2.06 1.38 0.00 0.02 0.00 0.00 34.50 33.79 3ns1 s PRO 783 CO 0.01 -1.40 2.10 0.28 -0.33 0.00 0.00 177.00 177.66 3ns1 h VAL 784 N 1.00 0.84 0.00 3.83 2.07 -1.92 -2.31 116.25 119.77 3ns1 h VAL 784 Ca -0.51 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.01 3ns1 h VAL 784 Cb 1.32 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 3ns1 h VAL 784 CO 0.55 0.00 0.00 -0.46 0.02 0.00 0.00 177.57 177.68 3ns1 n ASN 785 N -4.38 0.00 0.14 0.57 0.23 -1.26 -2.18 115.26 108.38 3ns1 n ASN 785 Ca 0.01 0.41 0.13 0.00 -0.53 0.00 0.00 54.58 54.60 3ns1 n ASN 785 Cb 0.27 -0.45 0.32 0.00 -2.08 0.00 0.00 39.78 37.84 3ns1 n ASN 785 CO 0.00 0.00 0.00 0.03 -0.93 0.00 0.00 177.26 176.36 3ns1 h ARG 786 N 0.00 0.00 -5.05 -3.83 2.47 -1.78 -3.47 114.38 102.72 3ns1 h ARG 786 Ca 0.00 0.00 -0.65 0.00 -1.26 0.00 0.00 59.98 58.07 3ns1 h ARG 786 Cb 0.18 0.00 -0.26 0.00 -1.65 0.00 0.00 29.97 28.24 3ns1 h ARG 786 CO 0.00 0.00 -0.70 0.42 0.56 0.00 0.00 179.97 180.25 3ns1 s ILE 787 N -3.14 3.58 -0.22 2.04 -1.09 -0.93 -2.09 121.20 119.35 3ns1 s ILE 787 Ca 0.09 -0.43 -0.07 0.00 -2.23 0.00 0.00 60.65 58.01 3ns1 s ILE 787 Cb 0.10 -2.62 -0.03 0.00 -1.58 0.00 0.00 42.46 38.33 3ns1 s ILE 787 CO 0.63 0.43 0.06 -0.22 -1.23 0.00 0.00 174.94 174.61 3ns1 s LEU 788 N 1.26 3.58 -0.16 2.97 2.96 -0.42 -4.96 118.68 123.91 3ns1 s LEU 788 Ca 0.03 -0.09 0.00 0.00 -0.22 0.00 0.00 54.13 53.86 3ns1 s LEU 788 Cb -0.14 -1.93 -0.00 0.00 0.50 0.00 0.00 46.19 44.61 3ns1 s LEU 788 CO -0.01 0.06 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.24 3ns1 s VAL 789 N 1.06 2.66 -0.05 1.68 1.01 -1.26 -0.85 120.40 124.65 3ns1 s VAL 789 Ca 0.04 -0.77 0.05 0.00 0.00 0.00 0.00 61.98 61.30 3ns1 s VAL 789 Cb -0.14 -2.13 -0.01 0.00 0.00 0.00 0.00 36.38 34.11 3ns1 s VAL 789 CO 0.03 0.51 -0.21 -0.13 0.00 0.00 0.00 175.10 175.31 3ns1 s ARG 790 N 0.85 2.08 -0.21 2.72 0.52 -0.35 -2.16 118.95 122.40 3ns1 s ARG 790 Ca -0.05 -0.74 -0.04 0.00 -0.52 0.00 0.00 55.73 54.39 3ns1 s ARG 790 Cb -0.15 -1.80 0.07 0.00 0.52 0.00 0.00 34.95 33.59 3ns1 s ARG 790 CO -0.01 0.31 0.09 0.08 0.02 0.00 0.00 175.30 175.80 3ns1 s VAL 791 N -0.08 0.07 -0.14 3.52 1.01 0.56 -2.46 120.40 122.88 3ns1 s VAL 791 Ca -0.03 -0.44 -0.20 0.00 0.00 0.00 0.00 61.98 61.32 3ns1 s VAL 791 Cb -0.12 -0.81 -0.17 0.00 0.00 0.00 0.00 36.38 35.28 3ns1 s VAL 791 CO 0.03 -0.39 0.44 0.50 0.00 0.00 0.00 175.10 175.67 3ns1 h LYS 792 N 8.37 0.00 -2.81 2.72 3.64 -1.85 -0.45 116.57 126.19 3ns1 h LYS 792 Ca -0.16 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.27 3ns1 h LYS 792 Cb 1.10 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.82 3ns1 h LYS 792 CO 0.34 0.70 0.29 -0.98 -2.27 0.00 0.00 179.45 177.54 3ns1 s ARG 793 N -2.09 1.33 -0.03 1.90 1.70 -1.26 -4.65 118.95 115.86 3ns1 s ARG 793 Ca -0.16 -0.61 0.05 0.00 -0.47 0.00 0.00 55.73 54.55 3ns1 s ARG 793 Cb -0.01 0.54 -0.01 0.00 -0.57 0.00 0.00 34.95 34.90 3ns1 s ARG 793 CO 0.48 -0.60 -0.19 -1.64 -1.08 0.00 0.00 175.30 172.28 3ns1 s MET 794 N -3.64 1.79 -1.62 3.89 -1.94 -0.40 -4.69 119.30 112.70 3ns1 s MET 794 Ca 0.06 -0.68 -0.10 0.00 -1.71 0.00 0.00 55.69 53.25 3ns1 s MET 794 Cb -0.02 -1.62 -0.08 0.00 2.01 0.00 0.00 34.83 35.11 3ns1 s MET 794 CO -0.05 0.33 2.93 0.41 -0.01 0.00 0.00 175.02 178.64 3ns1 n GLY 795 N 2.90 4.25 0.00 -0.03 0.00 -1.26 -4.22 105.19 106.82 3ns1 n GLY 795 Ca -0.17 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.36 3ns1 n GLY 795 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ns1 n GLY 796 N 3.60 2.00 2.01 -0.02 0.00 -1.23 -2.10 105.19 109.45 3ns1 n GLY 796 Ca 0.78 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 45.14 3ns1 n GLY 796 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ns1 n GLY 797 N 1.90 -0.40 2.40 -0.02 0.00 -1.26 -4.88 105.19 102.93 3ns1 n GLY 797 Ca 0.00 0.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 3ns1 n GLY 797 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3ns1 n PHE 798 N -3.45 -0.16 0.00 1.61 3.01 -1.26 -1.45 117.46 115.75 3ns1 n PHE 798 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 3ns1 n PHE 798 Cb 0.00 -2.36 0.00 0.00 -0.01 0.00 0.00 39.48 37.11 3ns1 n PHE 798 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3ns1 n GLY 799 N 0.11 3.13 0.00 1.37 0.00 -1.26 -0.99 105.19 107.55 3ns1 n GLY 799 Ca -0.09 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.06 3ns1 n GLY 799 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ns1 n GLY 800 N -1.41 -1.31 0.88 -0.02 0.00 -0.53 -2.35 105.19 100.44 3ns1 n GLY 800 Ca 0.00 -0.11 0.09 0.00 0.00 0.00 0.00 46.02 46.00 3ns1 n GLY 800 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ns1 n LYS 801 N -1.40 2.90 0.08 1.61 5.02 -1.24 -4.21 118.16 120.92 3ns1 n LYS 801 Ca 0.10 -2.82 -0.09 0.00 -2.02 0.00 0.00 58.31 53.47 3ns1 n LYS 801 Cb 0.27 -1.83 -0.11 0.00 -0.02 0.00 0.00 35.03 33.34 3ns1 n LYS 801 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 3ns1 h GLU 802 N 1.79 0.09 0.00 1.97 4.81 -1.81 0.20 114.58 121.62 3ns1 h GLU 802 Ca 0.00 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 3ns1 h GLU 802 Cb 1.42 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.85 3ns1 h GLU 802 CO 0.21 1.05 0.00 0.25 -0.73 0.00 0.00 179.01 179.79 3ns1 n THR 803 N -3.43 0.00 0.36 0.32 -2.24 -1.26 -4.47 114.28 103.56 3ns1 n THR 803 Ca -0.03 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.87 3ns1 n THR 803 Cb 0.95 0.00 0.51 0.00 -2.10 0.00 0.00 70.33 69.68 3ns1 n THR 803 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3ns1 n ARG 804 N -1.40 0.19 0.29 -0.78 5.12 -1.26 -2.20 116.66 116.62 3ns1 n ARG 804 Ca 0.00 0.45 0.17 0.00 -1.93 0.00 0.00 57.85 56.55 3ns1 n ARG 804 Cb 0.00 -1.89 0.81 0.00 -1.16 0.00 0.00 32.46 30.22 3ns1 n ARG 804 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 3ns1 h SER 805 N 0.00 0.00 0.37 0.55 4.64 -1.84 -2.74 113.55 114.53 3ns1 h SER 805 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3ns1 h SER 805 Cb 0.32 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.41 3ns1 h SER 805 CO 0.00 0.04 -0.04 0.71 -0.87 0.00 0.00 176.83 176.68 3ns1 h THR 806 N 0.00 0.20 -0.73 2.95 1.35 -1.83 -1.31 112.91 113.54 3ns1 h THR 806 Ca -0.00 -0.29 0.02 0.00 -0.55 0.00 0.00 66.41 65.58 3ns1 h THR 806 Cb 0.37 1.23 -0.04 0.00 -1.73 0.00 0.00 68.15 67.99 3ns1 h THR 806 CO 0.01 0.04 0.47 -0.07 -0.25 0.00 0.00 175.52 175.72 3ns1 h LEU 807 N 0.00 0.81 0.14 3.87 3.38 -1.71 -1.26 115.31 120.53 3ns1 h LEU 807 Ca -0.00 -0.01 -0.22 0.00 0.09 0.00 0.00 57.88 57.74 3ns1 h LEU 807 Cb 0.23 -0.19 0.02 0.00 0.09 0.00 0.00 40.66 40.81 3ns1 h LEU 807 CO 0.00 0.57 -0.94 0.58 0.09 0.00 0.00 178.44 178.75 3ns1 h VAL 808 N 0.95 1.44 -0.53 1.22 2.07 -1.66 -3.31 116.25 116.43 3ns1 h VAL 808 Ca 0.28 -2.49 0.08 0.00 0.82 0.00 0.00 66.70 65.38 3ns1 h VAL 808 Cb -0.07 3.04 -0.06 0.00 -1.52 0.00 0.00 31.29 32.68 3ns1 h VAL 808 CO -0.08 0.72 0.18 0.28 0.02 0.00 0.00 177.57 178.69 3ns1 h SER 809 N -0.18 0.16 -0.08 0.57 0.02 -1.02 -1.82 113.55 111.19 3ns1 h SER 809 Ca -0.16 0.07 -0.14 0.00 -0.84 0.00 0.00 61.79 60.72 3ns1 h SER 809 Cb 1.71 0.06 0.01 0.00 0.14 0.00 0.00 62.40 64.32 3ns1 h SER 809 CO 0.18 0.11 -0.50 0.58 -1.14 0.00 0.00 176.83 176.06 3ns1 h VAL 810 N 0.35 1.38 -0.52 2.27 2.07 -1.41 -2.16 116.25 118.22 3ns1 h VAL 810 Ca 0.26 -1.85 0.10 0.00 0.82 0.00 0.00 66.70 66.03 3ns1 h VAL 810 Cb 0.30 2.26 -0.09 0.00 -1.52 0.00 0.00 31.29 32.25 3ns1 h VAL 810 CO -0.28 0.55 -0.06 0.00 0.02 0.00 0.00 177.57 177.80 3ns1 h ALA 811 N 0.45 0.42 -0.58 1.67 0.00 -1.61 -1.71 119.26 117.90 3ns1 h ALA 811 Ca -0.04 0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 3ns1 h ALA 811 Cb 1.16 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 19.26 3ns1 h ALA 811 CO 0.10 -0.42 0.03 0.28 0.00 0.00 0.00 179.25 179.24 3ns1 h VAL 812 N 0.06 1.26 -0.64 0.00 2.07 -1.29 -2.83 116.25 114.87 3ns1 h VAL 812 Ca 0.26 -1.08 -0.00 0.00 0.82 0.00 0.00 66.70 66.69 3ns1 h VAL 812 Cb 0.40 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 3ns1 h VAL 812 CO -0.49 0.39 0.38 0.00 0.02 0.00 0.00 177.57 177.88 3ns1 h ALA 813 N 1.10 0.82 -0.59 1.67 0.00 -1.01 -1.85 119.26 119.41 3ns1 h ALA 813 Ca 0.17 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 3ns1 h ALA 813 Cb 0.50 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3ns1 h ALA 813 CO 0.02 0.30 0.04 1.25 0.00 0.00 0.00 179.25 180.87 3ns1 h LEU 814 N 0.88 0.99 -1.09 0.00 5.85 -1.23 -0.35 115.31 120.36 3ns1 h LEU 814 Ca 0.23 -0.29 0.02 0.00 0.84 0.00 0.00 57.88 58.69 3ns1 h LEU 814 Cb -0.02 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.70 3ns1 h LEU 814 CO -0.04 1.03 0.62 0.00 -0.34 0.00 0.00 178.44 179.70 3ns1 h ALA 815 N 0.99 1.37 -0.38 1.25 0.00 -1.23 0.35 119.26 121.61 3ns1 h ALA 815 Ca 0.17 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.87 3ns1 h ALA 815 Cb 0.50 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3ns1 h ALA 815 CO 0.02 0.57 -0.37 0.00 0.00 0.00 0.00 179.25 179.47 3ns1 h ALA 816 N 1.44 0.61 0.03 0.00 0.00 -0.63 -1.55 119.26 119.16 3ns1 h ALA 816 Ca 0.36 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3ns1 h ALA 816 Cb -0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3ns1 h ALA 816 CO -0.09 0.68 -0.04 -0.92 0.00 0.00 0.00 179.25 178.88 3ns1 h TYR 817 N 0.75 -0.09 -0.29 0.00 3.20 -0.73 -1.47 116.97 118.34 3ns1 h TYR 817 Ca 0.06 0.00 -0.17 0.00 3.14 0.00 0.00 58.73 61.77 3ns1 h TYR 817 Cb 0.96 0.04 -0.00 0.00 1.54 0.00 0.00 36.73 39.26 3ns1 h TYR 817 CO 0.06 -0.06 -0.48 -0.22 -1.64 0.00 0.00 178.16 175.82 3ns1 h LYS 818 N -0.08 0.84 0.00 1.82 3.11 -0.89 -3.29 116.57 118.08 3ns1 h LYS 818 Ca 0.01 -0.52 -0.02 0.00 -2.81 0.00 0.00 60.65 57.31 3ns1 h LYS 818 Cb 0.08 0.05 -0.00 0.00 -1.00 0.00 0.00 32.23 31.36 3ns1 h LYS 818 CO -0.02 1.15 -0.89 1.79 -2.81 0.00 0.00 179.45 178.67 3ns1 h THR 819 N 0.62 0.08 0.00 1.00 1.35 -1.29 -3.48 112.91 111.19 3ns1 h THR 819 Ca 0.02 -1.14 0.00 0.00 -0.55 0.00 0.00 66.41 64.74 3ns1 h THR 819 Cb 1.09 1.65 0.00 0.00 -1.73 0.00 0.00 68.15 69.16 3ns1 h THR 819 CO 0.11 0.04 0.00 0.61 -0.25 0.00 0.00 175.52 176.03 3ns1 n GLY 820 N 1.19 1.08 3.83 5.82 0.00 -0.56 -5.05 105.19 111.51 3ns1 n GLY 820 Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 3ns1 n GLY 820 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ns1 s HIS 821 N -3.93 3.19 0.42 1.61 3.76 -1.25 -4.85 115.29 114.24 3ns1 s HIS 821 Ca 0.00 -0.04 -0.26 0.00 -0.15 0.00 0.00 55.06 54.61 3ns1 s HIS 821 Cb 0.00 -1.49 -0.10 0.00 1.11 0.00 0.00 32.58 32.10 3ns1 s HIS 821 CO 0.00 0.51 1.38 -2.30 -0.85 0.00 0.00 174.74 173.48 3ns1 n PRO 822 N -0.71 2.22 -3.94 8.40 -0.02 -1.26 -4.43 135.00 135.25 3ns1 n PRO 822 Ca -0.08 0.79 -0.12 0.00 -2.02 0.00 0.00 63.50 62.06 3ns1 n PRO 822 Cb 0.56 -2.53 -0.13 0.00 -0.02 0.00 0.00 33.50 31.37 3ns1 n PRO 822 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3ns1 s VAL 823 N -1.17 0.11 0.20 -1.45 1.01 -0.75 -0.78 120.40 117.57 3ns1 s VAL 823 Ca 0.59 -0.25 0.01 0.00 0.00 0.00 0.00 61.98 62.33 3ns1 s VAL 823 Cb -0.48 -0.14 -0.05 0.00 0.00 0.00 0.00 36.38 35.71 3ns1 s VAL 823 CO 0.59 -0.09 0.05 0.00 0.00 0.00 0.00 175.10 175.65 3ns1 s ARG 824 N -0.36 1.22 -0.29 2.72 1.70 -0.58 -1.34 118.95 122.01 3ns1 s ARG 824 Ca -0.03 -1.62 -0.13 0.00 -0.47 0.00 0.00 55.73 53.47 3ns1 s ARG 824 Cb -0.03 -0.21 0.10 0.00 -0.57 0.00 0.00 34.95 34.25 3ns1 s ARG 824 CO -0.00 -0.22 0.67 0.00 -1.08 0.00 0.00 175.30 174.67 3ns1 s MET 826 N 2.18 3.03 0.50 0.00 0.00 -1.26 -2.53 119.30 121.22 3ns1 s MET 826 Ca -0.08 -0.70 -0.20 0.00 0.00 0.00 0.00 55.69 54.70 3ns1 s MET 826 Cb -0.08 -2.51 -0.08 0.00 0.00 0.00 0.00 34.83 32.16 3ns1 s MET 826 CO -0.19 0.36 1.07 -0.51 0.00 0.00 0.00 175.02 175.75 3ns1 s LEU 827 N -0.05 3.83 0.53 4.11 1.43 -0.79 -5.03 118.68 122.70 3ns1 s LEU 827 Ca -0.03 2.01 -0.13 0.00 -1.03 0.00 0.00 54.13 54.95 3ns1 s LEU 827 Cb -0.14 -4.55 -0.06 0.00 0.03 0.00 0.00 46.19 41.47 3ns1 s LEU 827 CO 0.04 -0.90 0.96 -1.81 0.23 0.00 0.00 176.35 174.86 3ns1 s ASP 828 N -1.89 6.48 0.16 2.29 1.01 -1.26 -4.78 116.67 118.68 3ns1 s ASP 828 Ca 0.69 1.43 -0.20 0.00 0.71 0.00 0.00 52.55 55.17 3ns1 s ASP 828 Cb -0.19 -2.46 0.07 0.00 1.01 0.00 0.00 42.92 41.35 3ns1 s ASP 828 CO 0.22 -0.64 1.64 -0.09 0.21 0.00 0.00 175.17 176.51 3ns1 h ARG 829 N 0.58 -0.15 -0.85 8.23 9.65 -1.97 -1.31 114.38 128.57 3ns1 h ARG 829 Ca -0.46 0.01 0.13 0.00 -1.10 0.00 0.00 59.98 58.56 3ns1 h ARG 829 Cb 1.19 0.03 -0.06 0.00 -1.39 0.00 0.00 29.97 29.74 3ns1 h ARG 829 CO 0.62 -0.10 0.55 -2.95 2.80 0.00 0.00 179.97 180.89 3ns1 h ASN 830 N -0.16 0.61 -0.32 -3.80 -1.07 -1.95 -0.82 115.58 108.08 3ns1 h ASN 830 Ca 0.17 0.03 -0.11 0.00 0.07 0.00 0.00 56.30 56.47 3ns1 h ASN 830 Cb 0.42 -0.09 -0.01 0.00 -2.07 0.00 0.00 38.32 36.57 3ns1 h ASN 830 CO -0.43 0.32 -0.22 -0.33 0.07 0.00 0.00 177.43 176.84 3ns1 h GLU 831 N 0.66 0.72 -0.03 4.14 5.08 -1.72 -3.10 114.58 120.32 3ns1 h GLU 831 Ca 0.42 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3ns1 h GLU 831 Cb 0.68 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.93 3ns1 h GLU 831 CO -0.18 0.95 0.02 0.22 -1.00 0.00 0.00 179.01 179.02 3ns1 h ASP 832 N 0.48 0.03 0.21 1.42 3.58 -0.07 -2.01 116.42 120.06 3ns1 h ASP 832 Ca 0.06 -0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.48 3ns1 h ASP 832 Cb 0.78 -0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.81 3ns1 h ASP 832 CO 0.06 0.03 -0.13 0.24 -2.88 0.00 0.00 179.24 176.56 3ns1 h MET 833 N 0.03 0.00 0.03 0.28 2.86 -1.39 -2.40 114.93 114.34 3ns1 h MET 833 Ca 0.01 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.40 3ns1 h MET 833 Cb 0.00 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.64 3ns1 h MET 833 CO -0.00 0.13 -1.29 1.25 1.06 0.00 0.00 176.91 178.06 3ns1 h LEU 834 N 0.00 0.11 0.00 1.22 5.85 -1.42 -3.42 115.31 117.65 3ns1 h LEU 834 Ca -0.00 -0.14 -0.38 0.00 0.84 0.00 0.00 57.88 58.20 3ns1 h LEU 834 Cb 0.27 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.20 3ns1 h LEU 834 CO 0.02 1.12 -2.35 -0.38 -0.34 0.00 0.00 178.44 176.51 3ns1 n ILE 835 N -3.31 1.34 1.35 4.05 5.41 -0.78 -4.32 119.36 123.10 3ns1 n ILE 835 Ca -0.08 -0.44 0.13 0.00 1.00 0.00 0.00 62.75 63.37 3ns1 n ILE 835 Cb 0.99 -1.54 0.42 0.00 -0.71 0.00 0.00 39.64 38.81 3ns1 n ILE 835 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 3ns1 n THR 836 N -3.57 0.00 0.00 1.39 -2.24 -0.92 -4.75 114.28 104.20 3ns1 n THR 836 Ca -0.44 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 3ns1 n THR 836 Cb 0.90 0.55 0.00 0.00 -2.10 0.00 0.00 70.33 69.68 3ns1 n THR 836 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ns1 n GLY 837 N 1.26 -0.39 0.00 3.38 0.00 -1.26 -4.85 105.19 103.33 3ns1 n GLY 837 Ca 0.16 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.59 3ns1 n GLY 837 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ns1 n GLY 838 N 0.01 6.08 3.82 -0.02 0.00 -1.26 -4.73 105.19 109.08 3ns1 n GLY 838 Ca 0.00 -1.62 -0.33 0.00 0.00 0.00 0.00 46.02 44.07 3ns1 n GLY 838 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3ns1 s ARG 839 N 1.03 4.19 -0.04 1.61 3.52 -0.42 -2.18 118.95 126.65 3ns1 s ARG 839 Ca 0.00 1.13 -0.30 0.00 -0.13 0.00 0.00 55.73 56.44 3ns1 s ARG 839 Cb 0.00 -2.17 -0.05 0.00 -1.56 0.00 0.00 34.95 31.17 3ns1 s ARG 839 CO 0.00 -0.07 1.55 -1.01 -0.81 0.00 0.00 175.30 174.96 3ns1 s HIS 840 N -2.18 2.33 0.57 5.12 3.76 -1.26 -4.11 115.29 119.52 3ns1 s HIS 840 Ca 0.62 0.45 -0.21 0.00 -0.15 0.00 0.00 55.06 55.78 3ns1 s HIS 840 Cb -0.10 -3.81 -0.04 0.00 1.11 0.00 0.00 32.58 29.74 3ns1 s HIS 840 CO 0.14 -3.26 1.33 -2.14 -0.85 0.00 0.00 174.74 169.96 3ns1 s PRO 841 N 3.46 3.02 -0.03 8.40 0.02 -1.26 -4.70 135.00 143.91 3ns1 s PRO 841 Ca 0.69 2.15 0.03 0.00 0.02 0.00 0.00 61.00 63.89 3ns1 s PRO 841 Cb -0.32 -2.15 0.00 0.00 0.02 0.00 0.00 34.50 32.05 3ns1 s PRO 841 CO 0.27 -1.26 -0.11 -0.06 -0.33 0.00 0.00 177.00 175.52 3ns1 s PHE 842 N -1.35 1.10 -0.13 6.54 0.08 -0.40 -2.09 117.98 121.73 3ns1 s PHE 842 Ca 0.74 -0.28 -0.04 0.00 0.12 0.00 0.00 56.93 57.47 3ns1 s PHE 842 Cb -0.39 -0.77 -0.04 0.00 -0.57 0.00 0.00 43.02 41.26 3ns1 s PHE 842 CO 0.44 -0.11 0.03 -1.17 -0.10 0.00 0.00 175.22 174.32 3ns1 s LEU 843 N 0.14 3.69 -0.04 -0.37 2.96 0.09 -0.09 118.68 125.07 3ns1 s LEU 843 Ca -0.03 0.12 0.05 0.00 -0.22 0.00 0.00 54.13 54.05 3ns1 s LEU 843 Cb -0.09 -1.88 -0.01 0.00 0.50 0.00 0.00 46.19 44.71 3ns1 s LEU 843 CO 0.01 0.29 -0.18 0.00 -1.32 0.00 0.00 176.35 175.15 3ns1 s ALA 844 N -0.35 1.56 -0.21 5.97 0.00 0.00 -1.19 121.76 127.54 3ns1 s ALA 844 Ca 0.08 -0.74 -0.02 0.00 0.00 0.00 0.00 51.96 51.28 3ns1 s ALA 844 Cb -0.12 -0.48 0.01 0.00 0.00 0.00 0.00 23.12 22.52 3ns1 s ALA 844 CO 0.02 0.31 -0.11 1.03 0.00 0.00 0.00 175.76 177.02 3ns1 s ARG 845 N -0.11 3.14 0.18 0.00 0.52 -0.83 -1.77 118.95 120.09 3ns1 s ARG 845 Ca -0.01 -0.76 0.07 0.00 -0.52 0.00 0.00 55.73 54.52 3ns1 s ARG 845 Cb -0.10 -2.84 -0.04 0.00 0.52 0.00 0.00 34.95 32.49 3ns1 s ARG 845 CO 0.01 -0.24 -0.15 1.52 0.02 0.00 0.00 175.30 176.47 3ns1 s TYR 846 N 1.38 1.66 -0.20 -0.53 -0.85 -1.00 -1.82 117.35 115.99 3ns1 s TYR 846 Ca 0.05 -0.55 -0.05 0.00 -0.52 0.00 0.00 57.07 55.99 3ns1 s TYR 846 Cb -0.14 -0.81 0.10 0.00 0.38 0.00 0.00 41.96 41.49 3ns1 s TYR 846 CO -0.07 0.30 0.38 0.21 -1.52 0.00 0.00 175.55 174.85 3ns1 s LYS 847 N -3.24 0.30 -0.05 -3.49 2.20 -0.57 -2.48 119.74 112.42 3ns1 s LYS 847 Ca 0.18 0.85 0.04 0.00 -0.36 0.00 0.00 55.97 56.68 3ns1 s LYS 847 Cb -0.03 0.04 -0.03 0.00 -1.51 0.00 0.00 37.83 36.31 3ns1 s LYS 847 CO 0.06 -0.37 -0.15 0.08 -0.36 0.00 0.00 175.35 174.61 3ns1 s VAL 848 N 2.57 3.00 -0.09 4.02 1.01 -0.40 -1.59 120.40 128.92 3ns1 s VAL 848 Ca 0.03 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.29 3ns1 s VAL 848 Cb -0.13 -2.17 -0.01 0.00 0.00 0.00 0.00 36.38 34.07 3ns1 s VAL 848 CO -0.13 0.59 -0.18 -0.83 0.00 0.00 0.00 175.10 174.55 3ns1 s GLY 849 N -0.71 1.44 0.21 4.51 0.00 0.27 -1.28 107.32 111.76 3ns1 s GLY 849 Ca 0.11 -0.97 -0.08 0.00 0.00 0.00 0.00 44.72 43.78 3ns1 s GLY 849 CO 0.00 -0.48 0.32 -0.11 0.00 0.00 0.00 173.10 172.83 3ns1 s PHE 850 N -0.07 0.59 0.56 1.90 -0.12 -0.88 -1.03 117.98 118.93 3ns1 s PHE 850 Ca -0.04 -0.92 -0.01 0.00 -0.05 0.00 0.00 56.93 55.91 3ns1 s PHE 850 Cb -0.14 -0.10 0.03 0.00 -0.63 0.00 0.00 43.02 42.18 3ns1 s PHE 850 CO 0.04 -0.80 0.80 -1.64 -0.05 0.00 0.00 175.22 173.57 3ns1 s MET 851 N -4.04 2.59 0.44 1.99 -1.94 -0.20 -1.48 119.30 116.67 3ns1 s MET 851 Ca 0.25 -0.61 0.15 0.00 -1.71 0.00 0.00 55.69 53.78 3ns1 s MET 851 Cb 0.03 -2.44 1.07 0.00 2.01 0.00 0.00 34.83 35.50 3ns1 s MET 851 CO 0.07 -0.73 1.96 -0.22 -0.01 0.00 0.00 175.02 176.09 3ns1 h LYS 852 N 0.00 0.37 0.00 2.03 1.63 -1.95 -1.28 116.57 117.38 3ns1 h LYS 852 Ca -0.43 -0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 59.34 3ns1 h LYS 852 Cb 1.29 -0.08 -0.00 0.00 -0.60 0.00 0.00 32.23 32.84 3ns1 h LYS 852 CO 0.55 0.24 -0.02 1.79 -3.45 0.00 0.00 179.45 178.56 3ns1 h THR 853 N 0.38 0.06 0.00 1.00 1.35 -1.97 -3.47 112.91 110.25 3ns1 h THR 853 Ca 0.31 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 3ns1 h THR 853 Cb 0.68 1.43 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 3ns1 h THR 853 CO -0.08 0.02 0.00 0.61 -0.25 0.00 0.00 175.52 175.81 3ns1 n GLY 854 N -0.19 0.28 3.70 5.82 0.00 -0.48 -4.94 105.19 109.38 3ns1 n GLY 854 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3ns1 n GLY 854 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3ns1 n THR 855 N -1.90 0.12 -2.71 2.61 -1.04 -1.26 -4.75 114.28 105.35 3ns1 n THR 855 Ca 0.00 -0.02 -0.33 0.00 -2.04 0.00 0.00 64.05 61.66 3ns1 n THR 855 Cb 0.00 -1.94 -0.06 0.00 -1.82 0.00 0.00 70.33 66.51 3ns1 n THR 855 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3ns1 s ILE 856 N 1.67 4.35 0.00 12.58 -1.09 -1.26 -1.03 121.20 136.41 3ns1 s ILE 856 Ca 0.78 1.40 0.00 0.00 -2.23 0.00 0.00 60.65 60.60 3ns1 s ILE 856 Cb -0.54 -3.60 0.00 0.00 -1.58 0.00 0.00 42.46 36.74 3ns1 s ILE 856 CO 0.35 -0.38 0.00 0.52 -1.23 0.00 0.00 174.94 174.21 3ns1 n VAL 857 N -0.85 0.00 -3.61 2.92 0.31 -0.20 -4.75 118.33 112.15 3ns1 n VAL 857 Ca 0.07 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.28 3ns1 n VAL 857 Cb 0.54 0.15 -0.07 0.00 -0.91 0.00 0.00 33.84 33.55 3ns1 n VAL 857 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ns1 s ALA 858 N 0.00 -1.88 -0.09 3.52 0.00 -0.69 -4.06 121.76 118.56 3ns1 s ALA 858 Ca 0.00 1.80 -0.10 0.00 0.00 0.00 0.00 51.96 53.67 3ns1 s ALA 858 Cb 0.00 -1.05 0.02 0.00 0.00 0.00 0.00 23.12 22.09 3ns1 s ALA 858 CO 0.00 -0.30 0.26 -1.17 0.00 0.00 0.00 175.76 174.56 3ns1 s LEU 859 N -0.12 1.00 -0.09 0.00 2.96 -0.08 -0.56 118.68 121.79 3ns1 s LEU 859 Ca -0.01 0.45 -0.03 0.00 -0.22 0.00 0.00 54.13 54.32 3ns1 s LEU 859 Cb -0.04 0.94 0.05 0.00 0.50 0.00 0.00 46.19 47.64 3ns1 s LEU 859 CO -0.01 -0.14 0.17 -0.70 -1.32 0.00 0.00 176.35 174.35 3ns1 s GLU 860 N -0.09 0.06 -0.05 1.98 2.12 -0.62 -1.56 118.70 120.53 3ns1 s GLU 860 Ca -0.02 0.55 -0.00 0.00 0.36 0.00 0.00 54.97 55.85 3ns1 s GLU 860 Cb -0.03 -0.23 0.03 0.00 0.26 0.00 0.00 34.13 34.16 3ns1 s GLU 860 CO 0.01 -0.28 -0.01 0.08 -0.54 0.00 0.00 175.26 174.52 3ns1 s VAL 861 N 2.08 0.31 -0.27 3.70 1.01 -0.67 -1.50 120.40 125.06 3ns1 s VAL 861 Ca 0.00 0.07 -0.07 0.00 0.00 0.00 0.00 61.98 61.98 3ns1 s VAL 861 Cb -0.12 -0.43 -0.01 0.00 0.00 0.00 0.00 36.38 35.82 3ns1 s VAL 861 CO -0.06 0.21 0.08 -1.81 0.00 0.00 0.00 175.10 173.52 3ns1 s ASP 862 N 1.42 5.17 -0.14 3.32 1.01 -0.76 0.17 116.67 126.86 3ns1 s ASP 862 Ca -0.04 -0.40 -0.07 0.00 0.71 0.00 0.00 52.55 52.75 3ns1 s ASP 862 Cb -0.13 -1.92 -0.04 0.00 1.01 0.00 0.00 42.92 41.84 3ns1 s ASP 862 CO -0.03 -0.10 0.13 -1.00 0.21 0.00 0.00 175.17 174.38 3ns1 s HIS 863 N 1.58 3.54 -0.10 4.23 3.76 -0.28 -1.95 115.29 126.07 3ns1 s HIS 863 Ca 0.05 0.47 0.02 0.00 -0.15 0.00 0.00 55.06 55.45 3ns1 s HIS 863 Cb -0.16 -1.98 0.01 0.00 1.11 0.00 0.00 32.58 31.56 3ns1 s HIS 863 CO 0.03 0.63 -0.16 0.71 -0.85 0.00 0.00 174.74 175.10 3ns1 s TYR 864 N -0.71 1.96 0.13 1.40 1.51 -0.34 -1.30 117.35 120.00 3ns1 s TYR 864 Ca 0.13 -0.87 0.05 0.00 -1.01 0.00 0.00 57.07 55.38 3ns1 s TYR 864 Cb -0.12 -1.39 -0.04 0.00 -0.11 0.00 0.00 41.96 40.30 3ns1 s TYR 864 CO 0.03 -0.43 0.04 -1.54 -1.11 0.00 0.00 175.55 172.54 3ns1 s SER 865 N 0.83 5.15 -0.53 2.29 1.04 -0.87 -0.73 113.70 120.89 3ns1 s SER 865 Ca -0.10 -0.19 -0.19 0.00 0.48 0.00 0.00 55.95 55.94 3ns1 s SER 865 Cb -0.15 -1.25 0.06 0.00 0.10 0.00 0.00 66.02 64.78 3ns1 s SER 865 CO 0.01 0.13 0.66 0.21 0.98 0.00 0.00 173.24 175.23 3ns1 s ASN 866 N -2.66 6.22 -0.00 7.02 3.84 -0.89 -0.45 114.94 128.02 3ns1 s ASN 866 Ca 0.28 -0.96 0.16 0.00 0.21 0.00 0.00 52.86 52.55 3ns1 s ASN 866 Cb -0.11 -2.30 -0.18 0.00 -0.55 0.00 0.00 41.25 38.10 3ns1 s ASN 866 CO 0.20 -0.96 0.68 0.00 -2.79 0.00 0.00 177.10 174.23 3ns1 n ALA 867 N 6.31 1.80 0.00 1.71 0.00 -0.48 -4.42 120.51 125.43 3ns1 n ALA 867 Ca -0.06 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.68 3ns1 n ALA 867 Cb 0.45 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 19.07 3ns1 n ALA 867 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ns1 n GLY 868 N 1.47 -1.47 1.30 0.00 0.00 -1.22 -1.55 105.19 103.72 3ns1 n GLY 868 Ca -0.14 -1.61 0.04 0.00 0.00 0.00 0.00 46.02 44.31 3ns1 n GLY 868 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3ns1 n ASN 869 N 0.08 3.72 -3.78 1.61 6.94 0.11 -2.73 115.26 121.22 3ns1 n ASN 869 Ca 0.00 -2.52 -0.09 0.00 -0.02 0.00 0.00 54.58 51.95 3ns1 n ASN 869 Cb 0.00 -0.60 -0.03 0.00 -2.36 0.00 0.00 39.78 36.80 3ns1 n ASN 869 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 3ns1 s SER 870 N -0.47 -0.29 -0.06 0.53 1.04 -1.26 -4.93 113.70 108.25 3ns1 s SER 870 Ca 0.32 -0.52 -0.22 0.00 0.48 0.00 0.00 55.95 56.01 3ns1 s SER 870 Cb 0.24 0.66 -0.16 0.00 0.10 0.00 0.00 66.02 66.86 3ns1 s SER 870 CO 0.10 -1.20 0.88 0.03 0.98 0.00 0.00 173.24 174.02 3ns1 h ARG 871 N 2.07 -0.17 0.00 4.02 3.08 -1.90 -3.45 114.38 118.03 3ns1 h ARG 871 Ca -0.24 0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.82 3ns1 h ARG 871 Cb 1.26 0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.35 3ns1 h ARG 871 CO 0.30 0.30 0.00 -3.47 -1.07 0.00 0.00 179.97 176.02 3ns1 n ASP 872 N -4.89 0.00 -0.90 7.04 -0.08 -1.26 -1.10 116.55 115.36 3ns1 n ASP 872 Ca -0.08 0.00 0.08 0.00 -1.51 0.00 0.00 54.79 53.29 3ns1 n ASP 872 Cb 0.27 0.00 0.23 0.00 2.34 0.00 0.00 41.12 43.97 3ns1 n ASP 872 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 3ns1 n LEU 873 N 0.00 2.63 0.23 -2.67 4.77 -1.26 -4.55 117.00 116.14 3ns1 n LEU 873 Ca 0.00 -1.29 0.06 0.00 -0.03 0.00 0.00 56.01 54.76 3ns1 n LEU 873 Cb 0.00 -0.31 0.55 0.00 -2.33 0.00 0.00 43.42 41.33 3ns1 n LEU 873 CO 0.00 0.64 0.98 0.28 -1.33 0.00 0.00 177.39 177.96 3ns1 h SER 874 N 2.95 0.03 -0.16 -1.43 0.02 -1.40 -1.95 113.55 111.61 3ns1 h SER 874 Ca 0.00 -0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 3ns1 h SER 874 Cb 0.67 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.20 3ns1 h SER 874 CO 0.00 0.12 -0.08 -0.74 -1.14 0.00 0.00 176.83 175.00 3ns1 h HIS 875 N 0.03 0.38 -0.51 3.45 -0.00 -1.80 -2.23 115.15 114.47 3ns1 h HIS 875 Ca 0.01 -0.09 -0.04 0.00 -0.00 0.00 0.00 60.37 60.24 3ns1 h HIS 875 Cb 0.18 -0.09 -0.02 0.00 -0.00 0.00 0.00 27.41 27.48 3ns1 h HIS 875 CO 0.00 0.65 0.14 0.77 -0.00 0.00 0.00 177.93 179.49 3ns1 h SER 876 N 0.00 0.72 -0.22 3.26 0.02 -1.72 -1.44 113.55 114.17 3ns1 h SER 876 Ca 0.04 -0.12 -0.04 0.00 -0.84 0.00 0.00 61.79 60.83 3ns1 h SER 876 Cb 0.55 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 3ns1 h SER 876 CO 0.02 0.70 -0.03 0.40 -1.14 0.00 0.00 176.83 176.78 3ns1 h ILE 877 N 0.75 1.27 -0.74 3.27 2.04 -1.40 -0.90 117.51 121.81 3ns1 h ILE 877 Ca 0.17 -0.98 0.09 0.00 1.00 0.00 0.00 64.86 65.13 3ns1 h ILE 877 Cb 0.26 1.48 -0.07 0.00 -0.74 0.00 0.00 36.82 37.75 3ns1 h ILE 877 CO -0.00 0.30 0.40 -0.03 0.00 0.00 0.00 178.15 178.82 3ns1 h MET 878 N 0.15 0.67 -0.02 2.37 4.05 -1.18 -1.77 114.93 119.20 3ns1 h MET 878 Ca 0.06 -0.04 0.02 0.00 -0.28 0.00 0.00 59.70 59.46 3ns1 h MET 878 Cb 0.46 -0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 31.09 3ns1 h MET 878 CO 0.02 0.44 -0.10 0.93 0.23 0.00 0.00 176.91 178.43 3ns1 h GLU 879 N 0.69 -0.16 -0.50 0.39 5.08 -0.92 -1.76 114.58 117.41 3ns1 h GLU 879 Ca 0.36 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.70 3ns1 h GLU 879 Cb 0.33 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 3ns1 h GLU 879 CO -0.24 -0.11 0.21 -0.09 -1.00 0.00 0.00 179.01 177.78 3ns1 h ARG 880 N -0.17 0.70 0.33 2.33 2.43 -0.98 -1.85 114.38 117.17 3ns1 h ARG 880 Ca 0.05 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 3ns1 h ARG 880 Cb 0.23 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 3ns1 h ARG 880 CO -0.12 0.57 -0.21 0.00 -1.51 0.00 0.00 179.97 178.70 3ns1 h ALA 881 N 1.54 -0.51 -0.84 2.80 0.00 -1.11 -2.49 119.26 118.64 3ns1 h ALA 881 Ca 0.17 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.07 3ns1 h ALA 881 Cb 0.12 0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.11 3ns1 h ALA 881 CO -0.02 -0.80 0.55 -0.07 0.00 0.00 0.00 179.25 178.91 3ns1 h LEU 882 N -0.52 0.76 -0.54 0.00 3.38 -0.86 0.34 115.31 117.87 3ns1 h LEU 882 Ca -0.03 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3ns1 h LEU 882 Cb 0.43 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3ns1 h LEU 882 CO 0.03 0.46 0.00 0.49 0.09 0.00 0.00 178.44 179.51 3ns1 n PHE 883 N -4.51 0.51 0.28 1.13 0.99 -0.74 -3.12 117.46 112.00 3ns1 n PHE 883 Ca 0.14 0.21 0.03 0.00 -0.00 0.00 0.00 57.45 57.83 3ns1 n PHE 883 Cb 0.28 -0.84 0.02 0.00 -1.00 0.00 0.00 39.48 37.94 3ns1 n PHE 883 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.76 177.48 3ns1 n HIS 884 N -1.97 0.00 0.02 1.38 8.25 0.11 -4.72 115.22 118.29 3ns1 n HIS 884 Ca 0.02 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.49 3ns1 n HIS 884 Cb 0.17 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.34 3ns1 n HIS 884 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ns1 n MET 885 N 0.16 0.01 0.06 -0.41 0.00 -0.85 -1.81 117.12 114.28 3ns1 n MET 885 Ca 0.04 0.46 0.11 0.00 0.00 0.00 0.00 57.70 58.31 3ns1 n MET 885 Cb 0.16 -1.61 -0.01 0.00 0.00 0.00 0.00 33.22 31.75 3ns1 n MET 885 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 3ns1 n ASP 886 N -1.52 0.62 0.00 3.17 5.75 -1.26 -4.69 116.55 118.62 3ns1 n ASP 886 Ca -0.00 0.11 0.00 0.00 -0.01 0.00 0.00 54.79 54.89 3ns1 n ASP 886 Cb 0.07 0.79 0.00 0.00 -1.03 0.00 0.00 41.12 40.95 3ns1 n ASP 886 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 3ns1 n ASN 887 N -2.37 0.00 -1.50 -1.12 5.15 -0.75 -1.55 115.26 113.12 3ns1 n ASN 887 Ca 0.00 0.00 -0.10 0.00 -0.60 0.00 0.00 54.58 53.88 3ns1 n ASN 887 Cb 0.52 0.00 0.19 0.00 -0.53 0.00 0.00 39.78 39.96 3ns1 n ASN 887 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3ns1 s TYR 889 N -3.27 2.64 -0.14 0.00 1.51 -0.60 -2.31 117.35 115.18 3ns1 s TYR 889 Ca 0.48 -0.97 -0.29 0.00 -1.01 0.00 0.00 57.07 55.28 3ns1 s TYR 889 Cb 0.43 -1.76 -0.02 0.00 -0.11 0.00 0.00 41.96 40.51 3ns1 s TYR 889 CO 0.03 -0.39 1.21 0.21 -1.11 0.00 0.00 175.55 175.50 3ns1 s LYS 890 N 0.40 4.28 -0.23 -0.62 2.47 -0.41 -4.81 119.74 120.83 3ns1 s LYS 890 Ca -0.16 1.62 -0.04 0.00 -1.56 0.00 0.00 55.97 55.83 3ns1 s LYS 890 Cb -0.17 -3.68 0.08 0.00 -1.46 0.00 0.00 37.83 32.60 3ns1 s LYS 890 CO 0.07 -0.60 0.10 0.42 0.16 0.00 0.00 175.35 175.50 3ns1 s ILE 891 N 3.01 -0.00 0.25 5.43 1.01 -1.26 -4.85 121.20 124.79 3ns1 s ILE 891 Ca 0.53 -0.49 0.34 0.00 0.00 0.00 0.00 60.65 61.03 3ns1 s ILE 891 Cb -0.22 -0.82 0.38 0.00 0.01 0.00 0.00 42.46 41.81 3ns1 s ILE 891 CO 0.16 -0.48 2.06 1.55 0.00 0.00 0.00 174.94 178.22 3ns1 h PRO 892 N 8.39 0.00 -3.63 2.79 0.13 -1.85 -3.42 132.00 134.41 3ns1 h PRO 892 Ca -0.17 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.50 3ns1 h PRO 892 Cb 1.08 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.83 3ns1 h PRO 892 CO 0.36 0.04 -0.77 -0.80 -0.23 0.00 0.00 178.00 176.61 3ns1 s ASN 893 N -5.69 1.92 -0.23 1.44 0.01 -1.26 -4.03 114.94 107.10 3ns1 s ASN 893 Ca -0.01 -0.27 -0.13 0.00 -0.71 0.00 0.00 52.86 51.74 3ns1 s ASN 893 Cb 0.10 -0.46 0.07 0.00 0.41 0.00 0.00 41.25 41.37 3ns1 s ASN 893 CO 0.53 -0.23 0.56 -0.51 -1.51 0.00 0.00 177.10 175.95 3ns1 s ILE 894 N 1.96 -0.01 -0.07 0.60 2.07 -0.31 -0.90 121.20 124.53 3ns1 s ILE 894 Ca 0.04 0.04 -0.01 0.00 -1.41 0.00 0.00 60.65 59.31 3ns1 s ILE 894 Cb -0.13 -0.82 0.03 0.00 0.13 0.00 0.00 42.46 41.66 3ns1 s ILE 894 CO -0.06 0.02 -0.02 -0.60 -1.91 0.00 0.00 174.94 172.36 3ns1 s ARG 895 N 1.45 0.83 -0.05 3.50 3.52 -0.60 -0.95 118.95 126.64 3ns1 s ARG 895 Ca -0.09 -0.00 0.06 0.00 -0.13 0.00 0.00 55.73 55.57 3ns1 s ARG 895 Cb -0.06 -1.07 -0.01 0.00 -1.56 0.00 0.00 34.95 32.25 3ns1 s ARG 895 CO -0.15 -0.25 -0.24 0.20 -0.81 0.00 0.00 175.30 174.04 3ns1 s GLY 896 N 1.73 1.24 0.28 8.12 0.00 -0.30 -1.67 107.32 116.72 3ns1 s GLY 896 Ca 0.02 -1.00 0.08 0.00 0.00 0.00 0.00 44.72 43.83 3ns1 s GLY 896 CO -0.05 -0.61 -0.11 -0.51 0.00 0.00 0.00 173.10 171.83 3ns1 s THR 897 N -0.14 1.92 -0.03 0.90 -4.23 0.13 -1.78 115.64 112.41 3ns1 s THR 897 Ca -0.04 -2.21 -0.08 0.00 -1.18 0.00 0.00 61.69 58.18 3ns1 s THR 897 Cb -0.13 -2.38 0.01 0.00 1.34 0.00 0.00 72.50 71.33 3ns1 s THR 897 CO 0.03 -0.36 0.19 -0.83 -0.54 0.00 0.00 174.62 173.12 3ns1 s GLY 898 N -3.46 -0.07 0.03 3.99 0.00 -0.48 -1.13 107.32 106.20 3ns1 s GLY 898 Ca 0.29 0.23 0.01 0.00 0.00 0.00 0.00 44.72 45.25 3ns1 s GLY 898 CO 0.12 0.11 -0.04 0.50 0.00 0.00 0.00 173.10 173.79 3ns1 s ARG 899 N -0.76 0.38 -0.28 2.90 1.81 -0.42 -1.59 118.95 120.99 3ns1 s ARG 899 Ca -0.08 -0.66 -0.02 0.00 -1.72 0.00 0.00 55.73 53.24 3ns1 s ARG 899 Cb -0.05 0.00 0.03 0.00 -0.45 0.00 0.00 34.95 34.49 3ns1 s ARG 899 CO 0.01 -0.02 -0.01 -0.51 -0.68 0.00 0.00 175.30 174.09 3ns1 s LEU 900 N -1.52 3.61 -0.09 2.53 1.43 -1.26 -2.05 118.68 121.33 3ns1 s LEU 900 Ca -0.14 -1.04 -0.30 0.00 -1.03 0.00 0.00 54.13 51.63 3ns1 s LEU 900 Cb -0.10 -1.72 -0.02 0.00 0.03 0.00 0.00 46.19 44.39 3ns1 s LEU 900 CO -0.01 -0.20 1.08 0.00 0.23 0.00 0.00 176.35 177.45 3ns1 s LYS 902 N 2.11 3.28 0.18 0.00 2.20 0.16 -1.38 119.74 126.29 3ns1 s LYS 902 Ca 0.51 -0.38 0.02 0.00 -0.36 0.00 0.00 55.97 55.77 3ns1 s LYS 902 Cb -0.21 -3.96 -0.05 0.00 -1.51 0.00 0.00 37.83 32.11 3ns1 s LYS 902 CO 0.19 -1.03 -0.01 0.95 -0.36 0.00 0.00 175.35 175.09 3ns1 s THR 903 N 2.85 0.79 -1.41 3.43 -4.23 -1.10 -4.76 115.64 111.19 3ns1 s THR 903 Ca 0.23 -1.99 -0.09 0.00 -1.18 0.00 0.00 61.69 58.65 3ns1 s THR 903 Cb -0.14 -2.11 0.06 0.00 1.34 0.00 0.00 72.50 71.65 3ns1 s THR 903 CO 0.19 -0.50 2.39 0.59 -0.54 0.00 0.00 174.62 176.75 3ns1 n ASN 904 N -0.26 6.85 -4.11 3.99 3.02 0.68 -2.35 115.26 123.08 3ns1 n ASN 904 Ca -0.07 -2.94 -0.08 0.00 -0.03 0.00 0.00 54.58 51.46 3ns1 n ASN 904 Cb 0.63 -1.49 -0.10 0.00 -0.61 0.00 0.00 39.78 38.21 3ns1 n ASN 904 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3ns1 s LEU 905 N -0.36 2.48 0.17 3.41 1.43 -1.26 -4.56 118.68 120.00 3ns1 s LEU 905 Ca 0.54 -0.98 -0.32 0.00 -1.03 0.00 0.00 54.13 52.34 3ns1 s LEU 905 Cb 0.15 0.12 -0.16 0.00 0.03 0.00 0.00 46.19 46.33 3ns1 s LEU 905 CO -0.06 -0.55 0.94 -1.20 0.23 0.00 0.00 176.35 175.72 3ns1 n SER 906 N 0.14 0.39 -4.68 2.29 7.64 -1.26 -0.71 113.62 117.44 3ns1 n SER 906 Ca -0.14 1.15 -0.45 0.00 1.01 0.00 0.00 58.87 60.44 3ns1 n SER 906 Cb 0.61 -1.11 -0.04 0.00 -1.01 0.00 0.00 64.21 62.66 3ns1 n SER 906 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 3ns1 n SER 907 N 1.80 3.77 -4.89 6.43 2.88 -1.26 -4.46 113.62 117.88 3ns1 n SER 907 Ca 0.16 0.96 -0.29 0.00 -1.33 0.00 0.00 58.87 58.37 3ns1 n SER 907 Cb 0.23 -1.46 0.03 0.00 -0.75 0.00 0.00 64.21 62.26 3ns1 n SER 907 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 3ns1 s ASN 908 N 3.66 5.73 0.00 -3.46 0.01 -0.59 -4.07 114.94 116.22 3ns1 s ASN 908 Ca 0.88 1.04 0.00 0.00 -0.71 0.00 0.00 52.86 54.07 3ns1 s ASN 908 Cb -0.57 -2.00 0.00 0.00 0.41 0.00 0.00 41.25 39.09 3ns1 s ASN 908 CO 0.45 -1.09 0.00 1.07 -1.51 0.00 0.00 177.10 176.02 3ns1 n THR 909 N -2.75 0.00 -1.97 1.60 5.66 -0.92 -4.59 114.28 111.30 3ns1 n THR 909 Ca 0.05 0.00 -0.40 0.00 -3.05 0.00 0.00 64.05 60.65 3ns1 n THR 909 Cb 0.56 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.34 3ns1 n THR 909 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3ns1 s ALA 910 N -1.16 3.45 -0.14 1.79 0.00 -1.26 -4.53 121.76 119.91 3ns1 s ALA 910 Ca 0.00 1.38 -0.10 0.00 0.00 0.00 0.00 51.96 53.23 3ns1 s ALA 910 Cb 0.00 -3.53 0.04 0.00 0.00 0.00 0.00 23.12 19.63 3ns1 s ALA 910 CO 0.00 -0.86 0.35 0.12 0.00 0.00 0.00 175.76 175.37 3ns1 s PHE 911 N -1.17 -0.44 -0.28 0.00 5.99 -1.26 -3.37 117.98 117.45 3ns1 s PHE 911 Ca 0.53 1.02 -0.18 0.00 0.00 0.00 0.00 56.93 58.30 3ns1 s PHE 911 Cb -0.42 0.16 -0.09 0.00 0.00 0.00 0.00 43.02 42.67 3ns1 s PHE 911 CO 0.56 -0.24 1.02 -2.13 -0.00 0.00 0.00 175.22 174.42 3ns1 n ARG 912 N 3.53 0.00 0.00 10.12 0.63 -0.16 -1.16 116.66 129.62 3ns1 n ARG 912 Ca -0.18 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.75 3ns1 n ARG 912 Cb 0.56 -0.67 0.00 0.00 0.45 0.00 0.00 32.46 32.80 3ns1 n ARG 912 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3ns1 n GLY 913 N 3.22 3.38 2.74 5.14 0.00 -1.26 -4.93 105.19 113.48 3ns1 n GLY 913 Ca 0.26 -1.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.11 3ns1 n GLY 913 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3ns1 n PHE 914 N 0.00 -1.59 0.00 1.61 7.35 -0.31 -2.16 117.46 122.36 3ns1 n PHE 914 Ca 0.00 0.67 0.00 0.00 -0.76 0.00 0.00 57.45 57.36 3ns1 n PHE 914 Cb 0.00 -4.16 0.00 0.00 0.35 0.00 0.00 39.48 35.67 3ns1 n PHE 914 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3ns1 n GLY 915 N -1.13 3.13 0.15 7.13 0.00 -1.26 -4.47 105.19 108.74 3ns1 n GLY 915 Ca -0.19 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.69 3ns1 n GLY 915 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3ns1 h GLY 916 N 0.00 -0.31 0.90 -0.02 0.00 -1.68 -2.72 103.07 99.24 3ns1 h GLY 916 Ca 0.00 0.11 0.07 0.00 0.00 0.00 0.00 47.33 47.52 3ns1 h GLY 916 CO 0.00 -0.11 0.54 -2.55 0.00 0.00 0.00 176.54 174.42 3ns1 h PRO 917 N -0.42 0.85 0.42 4.80 0.11 -1.92 -0.85 132.00 134.99 3ns1 h PRO 917 Ca -0.03 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.01 3ns1 h PRO 917 Cb 0.32 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.24 3ns1 h PRO 917 CO 0.05 0.56 -0.20 1.96 -0.21 0.00 0.00 178.00 180.16 3ns1 h GLN 918 N 0.88 -0.54 -0.75 1.05 7.50 -1.94 0.09 115.11 121.40 3ns1 h GLN 918 Ca 0.36 0.04 -0.02 0.00 0.50 0.00 0.00 58.65 59.53 3ns1 h GLN 918 Cb 0.28 0.12 -0.04 0.00 0.05 0.00 0.00 27.48 27.89 3ns1 h GLN 918 CO -0.13 -0.32 0.41 0.00 -1.50 0.00 0.00 178.83 177.29 3ns1 h ALA 919 N -0.10 1.30 -0.44 3.87 0.00 -1.37 -2.07 119.26 120.45 3ns1 h ALA 919 Ca -0.06 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 3ns1 h ALA 919 Cb 0.48 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3ns1 h ALA 919 CO 0.09 0.57 0.10 -0.07 0.00 0.00 0.00 179.25 179.94 3ns1 h LEU 920 N 1.05 0.66 -0.46 0.00 3.38 -1.03 -1.57 115.31 117.33 3ns1 h LEU 920 Ca 0.27 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3ns1 h LEU 920 Cb 0.03 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3ns1 h LEU 920 CO -0.04 0.73 0.31 0.15 0.09 0.00 0.00 178.44 179.67 3ns1 h PHE 921 N 0.57 0.58 -1.01 1.13 3.57 -0.58 -1.01 116.94 120.20 3ns1 h PHE 921 Ca 0.14 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.72 3ns1 h PHE 921 Cb 0.33 -0.20 -0.07 0.00 2.79 0.00 0.00 35.95 38.80 3ns1 h PHE 921 CO 0.02 0.37 0.65 0.82 -2.23 0.00 0.00 178.31 177.94 3ns1 h ILE 922 N 0.63 1.07 -0.23 1.41 2.04 -1.28 -1.93 117.51 119.21 3ns1 h ILE 922 Ca 0.17 -0.40 -0.03 0.00 1.00 0.00 0.00 64.86 65.60 3ns1 h ILE 922 Cb -0.07 -0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 35.80 3ns1 h ILE 922 CO -0.04 0.21 0.02 0.00 0.00 0.00 0.00 178.15 178.34 3ns1 h ALA 923 N 1.46 0.31 0.00 1.87 0.00 -0.69 -3.08 119.26 119.13 3ns1 h ALA 923 Ca 0.44 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 3ns1 h ALA 923 Cb 0.20 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3ns1 h ALA 923 CO -0.18 0.02 -0.31 0.93 0.00 0.00 0.00 179.25 179.70 3ns1 h GLU 924 N 0.19 0.00 -0.06 0.00 4.39 -0.96 -2.16 114.58 115.98 3ns1 h GLU 924 Ca 0.07 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.76 3ns1 h GLU 924 Cb 0.37 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.02 3ns1 h GLU 924 CO 0.01 0.31 0.01 -0.97 -1.16 0.00 0.00 179.01 177.21 3ns1 h ASN 925 N 0.00 0.09 0.16 1.42 -1.24 -1.31 -0.56 115.58 114.14 3ns1 h ASN 925 Ca -0.00 -0.23 -0.08 0.00 0.71 0.00 0.00 56.30 56.70 3ns1 h ASN 925 Cb 0.73 -0.02 -0.01 0.00 0.73 0.00 0.00 38.32 39.74 3ns1 h ASN 925 CO 0.04 0.30 -0.27 4.11 -1.29 0.00 0.00 177.43 180.31 3ns1 h TRP 926 N -0.12 0.22 -0.36 0.67 5.08 -1.43 -2.65 115.95 117.35 3ns1 h TRP 926 Ca 0.02 -0.04 -0.01 0.00 1.08 0.00 0.00 58.89 59.94 3ns1 h TRP 926 Cb 0.24 -0.06 -0.02 0.00 -3.00 0.00 0.00 29.16 26.33 3ns1 h TRP 926 CO 0.01 0.46 0.18 1.98 -1.28 0.00 0.00 178.44 179.78 3ns1 h MET 927 N 0.18 0.52 0.00 0.12 4.05 -1.20 -1.08 114.93 117.52 3ns1 h MET 927 Ca 0.03 -0.07 -0.03 0.00 -0.28 0.00 0.00 59.70 59.35 3ns1 h MET 927 Cb 0.58 -0.09 -0.00 0.00 -0.80 0.00 0.00 31.60 31.29 3ns1 h MET 927 CO 0.04 0.46 -0.13 0.66 0.23 0.00 0.00 176.91 178.18 3ns1 h SER 928 N 0.45 0.00 0.98 1.39 4.64 -0.78 -2.04 113.55 118.18 3ns1 h SER 928 Ca 0.12 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.29 3ns1 h SER 928 Cb 0.11 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.18 3ns1 h SER 928 CO -0.02 0.13 -0.74 -0.33 -0.87 0.00 0.00 176.83 175.00 3ns1 h GLU 929 N 0.00 0.00 -0.07 4.77 5.08 -0.94 -2.67 114.58 120.75 3ns1 h GLU 929 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3ns1 h GLU 929 Cb 0.26 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 3ns1 h GLU 929 CO 0.02 0.74 0.03 0.28 -1.00 0.00 0.00 179.01 179.07 3ns1 h VAL 930 N 0.00 1.15 -0.62 3.13 2.07 -0.54 -1.02 116.25 120.43 3ns1 h VAL 930 Ca -0.01 -0.46 0.07 0.00 0.82 0.00 0.00 66.70 67.13 3ns1 h VAL 930 Cb 1.43 1.32 -0.06 0.00 -1.52 0.00 0.00 31.29 32.46 3ns1 h VAL 930 CO 0.10 0.13 0.31 0.00 0.02 0.00 0.00 177.57 178.13 3ns1 h ALA 931 N 0.86 0.83 -0.18 1.67 0.00 -1.43 -0.81 119.26 120.20 3ns1 h ALA 931 Ca 0.02 0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.80 3ns1 h ALA 931 Cb 0.18 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3ns1 h ALA 931 CO -0.00 -0.06 -0.60 0.28 0.00 0.00 0.00 179.25 178.88 3ns1 h VAL 932 N 0.56 1.32 -0.22 0.00 2.07 -1.47 -1.59 116.25 116.92 3ns1 h VAL 932 Ca 0.29 -1.86 -0.15 0.00 0.82 0.00 0.00 66.70 65.81 3ns1 h VAL 932 Cb 0.25 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 3ns1 h VAL 932 CO -0.22 0.58 -0.46 0.74 0.02 0.00 0.00 177.57 178.23 3ns1 h THR 933 N 0.44 1.31 0.00 2.57 2.02 -0.71 -2.35 112.91 116.19 3ns1 h THR 933 Ca -0.00 -1.66 0.00 0.00 0.77 0.00 0.00 66.41 65.51 3ns1 h THR 933 Cb 1.16 1.64 0.00 0.00 -1.74 0.00 0.00 68.15 69.21 3ns1 h THR 933 CO 0.11 0.52 0.00 0.00 0.37 0.00 0.00 175.52 176.53 3ns1 n GLY 935 N 0.79 -0.16 3.92 0.00 0.00 -0.69 -5.04 105.19 104.01 3ns1 n GLY 935 Ca 0.04 -0.22 -0.21 0.00 0.00 0.00 0.00 46.02 45.63 3ns1 n GLY 935 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ns1 s LEU 936 N -4.54 4.02 0.48 0.99 1.43 -0.69 -5.03 118.68 115.34 3ns1 s LEU 936 Ca 0.00 -0.14 -0.22 0.00 -1.03 0.00 0.00 54.13 52.74 3ns1 s LEU 936 Cb 0.00 -2.62 -0.07 0.00 0.03 0.00 0.00 46.19 43.53 3ns1 s LEU 936 CO 0.00 -0.18 1.14 -2.16 0.23 0.00 0.00 176.35 175.39 3ns1 s PRO 937 N -3.99 3.68 0.06 1.29 0.04 -1.26 -4.59 135.00 130.23 3ns1 s PRO 937 Ca 0.37 1.70 -0.24 0.00 0.04 0.00 0.00 61.00 62.87 3ns1 s PRO 937 Cb -0.08 -2.30 -0.16 0.00 0.04 0.00 0.00 34.50 31.99 3ns1 s PRO 937 CO 0.28 -0.60 1.61 0.00 0.04 0.00 0.00 177.00 178.33 3ns1 h ALA 938 N 1.83 -0.02 -0.90 8.56 0.00 -1.98 -2.83 119.26 123.92 3ns1 h ALA 938 Ca -0.49 -0.07 0.23 0.00 0.00 0.00 0.00 54.91 54.57 3ns1 h ALA 938 Cb 1.25 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.99 3ns1 h ALA 938 CO 0.59 -0.45 0.61 0.93 0.00 0.00 0.00 179.25 180.94 3ns1 h GLU 939 N -0.15 0.26 -0.09 0.00 3.07 -1.94 -1.09 114.58 114.65 3ns1 h GLU 939 Ca -0.00 -0.02 -0.19 0.00 -0.50 0.00 0.00 59.36 58.65 3ns1 h GLU 939 Cb 0.14 -0.06 0.01 0.00 -0.84 0.00 0.00 28.75 28.00 3ns1 h GLU 939 CO 0.00 0.17 -0.68 1.49 -1.40 0.00 0.00 179.01 178.59 3ns1 h GLU 940 N 0.27 0.62 -0.27 2.33 4.81 -1.91 -1.65 114.58 118.77 3ns1 h GLU 940 Ca 0.46 -0.55 -0.16 0.00 -0.13 0.00 0.00 59.36 58.99 3ns1 h GLU 940 Cb 1.37 0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.87 3ns1 h GLU 940 CO -0.13 1.17 -0.44 0.28 -0.73 0.00 0.00 179.01 179.16 3ns1 h VAL 941 N 0.25 1.29 -0.23 0.32 2.07 -1.15 -1.39 116.25 117.43 3ns1 h VAL 941 Ca -0.06 -1.63 0.02 0.00 0.82 0.00 0.00 66.70 65.85 3ns1 h VAL 941 Cb 1.34 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 32.75 3ns1 h VAL 941 CO 0.14 0.52 0.07 0.03 0.02 0.00 0.00 177.57 178.36 3ns1 h ARG 942 N 0.53 0.17 -0.20 1.57 3.08 -1.29 -3.21 114.38 115.03 3ns1 h ARG 942 Ca 0.02 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 3ns1 h ARG 942 Cb 1.04 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.04 3ns1 h ARG 942 CO 0.10 0.11 0.05 2.35 -1.07 0.00 0.00 179.97 181.51 3ns1 h TRP 943 N 0.18 0.34 -0.90 3.04 2.91 -1.24 -2.96 115.95 117.32 3ns1 h TRP 943 Ca 0.10 -0.04 0.26 0.00 1.13 0.00 0.00 58.89 60.34 3ns1 h TRP 943 Cb 0.07 -0.10 -0.04 0.00 -0.51 0.00 0.00 29.16 28.59 3ns1 h TRP 943 CO -0.13 0.44 0.67 0.87 -1.03 0.00 0.00 178.44 179.26 3ns1 h LYS 944 N 0.14 0.00 -0.02 2.65 1.57 -1.31 -2.52 116.57 117.08 3ns1 h LYS 944 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3ns1 h LYS 944 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 3ns1 h LYS 944 CO 0.00 0.00 -0.44 0.09 -0.57 0.00 0.00 179.45 178.53 3ns1 n ASN 945 N -4.17 2.03 -4.77 0.86 3.02 -1.12 -5.00 115.26 106.10 3ns1 n ASN 945 Ca 0.19 -1.51 -0.40 0.00 -0.03 0.00 0.00 54.58 52.83 3ns1 n ASN 945 Cb 0.99 0.44 0.00 0.00 -0.61 0.00 0.00 39.78 40.59 3ns1 n ASN 945 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3ns1 s MET 946 N -2.46 3.92 0.95 3.52 -1.94 -0.95 -1.29 119.30 121.05 3ns1 s MET 946 Ca 0.19 2.27 -0.13 0.00 -1.71 0.00 0.00 55.69 56.31 3ns1 s MET 946 Cb 0.18 -2.76 0.01 0.00 2.01 0.00 0.00 34.83 34.27 3ns1 s MET 946 CO 0.56 -0.57 0.27 0.66 -0.01 0.00 0.00 175.02 175.93 3ns1 n TYR 947 N 0.10 -1.87 -4.40 -0.03 4.02 -0.98 -4.61 117.16 109.39 3ns1 n TYR 947 Ca 0.04 0.21 -0.23 0.00 -0.01 0.00 0.00 57.90 57.90 3ns1 n TYR 947 Cb 0.43 -1.75 -0.11 0.00 -0.02 0.00 0.00 39.34 37.89 3ns1 n TYR 947 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 3ns1 s LYS 948 N -3.43 1.46 -0.28 -0.72 -0.14 -1.26 -4.98 119.74 110.39 3ns1 s LYS 948 Ca 0.55 -1.57 -0.43 0.00 -1.36 0.00 0.00 55.97 53.16 3ns1 s LYS 948 Cb -0.21 -1.55 -0.19 0.00 -1.68 0.00 0.00 37.83 34.20 3ns1 s LYS 948 CO 0.69 0.31 1.48 -1.91 -0.76 0.00 0.00 175.35 175.15 3ns1 n GLU 949 N -0.09 0.35 -0.09 1.68 4.07 -1.26 -1.71 120.64 123.59 3ns1 n GLU 949 Ca -0.10 0.13 0.00 0.00 -0.06 0.00 0.00 57.16 57.13 3ns1 n GLU 949 Cb 0.58 -1.68 0.00 0.00 -0.06 0.00 0.00 31.44 30.28 3ns1 n GLU 949 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3ns1 n GLY 950 N 3.30 0.51 3.76 8.31 0.00 -0.60 -5.05 105.19 115.41 3ns1 n GLY 950 Ca 0.26 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.98 3ns1 n GLY 950 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ns1 s ASP 951 N -2.79 4.25 0.13 1.61 1.01 -0.69 -4.57 116.67 115.62 3ns1 s ASP 951 Ca 0.00 1.72 0.03 0.00 0.71 0.00 0.00 52.55 55.01 3ns1 s ASP 951 Cb 0.00 -2.42 -0.04 0.00 1.01 0.00 0.00 42.92 41.47 3ns1 s ASP 951 CO 0.00 -2.18 0.21 -0.76 0.21 0.00 0.00 175.17 172.65 3ns1 s LEU 952 N -5.99 4.16 0.74 1.23 1.43 -1.26 -0.94 118.68 118.05 3ns1 s LEU 952 Ca 0.62 0.10 -0.04 0.00 -1.03 0.00 0.00 54.13 53.77 3ns1 s LEU 952 Cb -0.17 -2.76 0.12 0.00 0.03 0.00 0.00 46.19 43.41 3ns1 s LEU 952 CO 0.56 0.09 1.03 0.42 0.23 0.00 0.00 176.35 178.69 3ns1 s THR 953 N -1.66 2.20 -0.22 5.49 -4.23 -0.19 -4.89 115.64 112.15 3ns1 s THR 953 Ca 0.33 -0.43 0.20 0.00 -1.18 0.00 0.00 61.69 60.61 3ns1 s THR 953 Cb -0.11 -2.77 0.20 0.00 1.34 0.00 0.00 72.50 71.16 3ns1 s THR 953 CO 0.26 0.00 1.61 0.00 -0.54 0.00 0.00 174.62 175.95 3ns1 n HIS 954 N -2.96 0.68 -1.01 3.99 1.44 -1.26 -0.48 115.22 115.62 3ns1 n HIS 954 Ca 0.13 0.36 0.08 0.00 -2.01 0.00 0.00 57.72 56.28 3ns1 n HIS 954 Cb 0.60 -1.06 0.26 0.00 0.12 0.00 0.00 29.99 29.91 3ns1 n HIS 954 CO 0.00 0.00 0.00 1.97 -2.81 0.00 0.00 176.34 175.50 3ns1 n PHE 955 N -2.21 0.96 -1.94 -1.40 1.16 -1.26 -4.60 117.46 108.17 3ns1 n PHE 955 Ca -0.01 -0.90 -0.17 0.00 -1.87 0.00 0.00 57.45 54.49 3ns1 n PHE 955 Cb 0.05 -0.32 -0.04 0.00 -1.61 0.00 0.00 39.48 37.56 3ns1 n PHE 955 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 3ns1 n ASN 956 N -0.52 -5.06 -4.82 5.98 3.02 0.37 -4.56 115.26 109.65 3ns1 n ASN 956 Ca 0.22 0.19 -0.38 0.00 -0.03 0.00 0.00 54.58 54.58 3ns1 n ASN 956 Cb 0.90 -4.12 -0.06 0.00 -0.61 0.00 0.00 39.78 35.89 3ns1 n ASN 956 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 3ns1 s GLN 957 N -4.21 3.91 0.24 3.52 0.74 -1.26 -4.75 119.66 117.85 3ns1 s GLN 957 Ca 0.00 0.32 -0.30 0.00 0.05 0.00 0.00 55.36 55.43 3ns1 s GLN 957 Cb 0.00 -3.25 -0.09 0.00 1.10 0.00 0.00 33.01 30.77 3ns1 s GLN 957 CO 0.00 0.63 1.02 0.50 -0.55 0.00 0.00 175.29 176.89 3ns1 s ARG 958 N -0.83 4.74 -0.46 1.67 3.52 -1.26 -1.02 118.95 125.31 3ns1 s ARG 958 Ca 0.22 1.62 -0.17 0.00 -0.13 0.00 0.00 55.73 57.28 3ns1 s ARG 958 Cb -0.16 -3.26 0.05 0.00 -1.56 0.00 0.00 34.95 30.03 3ns1 s ARG 958 CO 0.11 0.33 0.45 -0.51 -0.81 0.00 0.00 175.30 174.87 3ns1 s LEU 959 N -1.08 5.27 -0.07 -0.88 1.43 -0.11 -4.97 118.68 118.27 3ns1 s LEU 959 Ca 0.44 -1.06 0.03 0.00 -1.03 0.00 0.00 54.13 52.50 3ns1 s LEU 959 Cb -0.28 -2.28 -0.02 0.00 0.03 0.00 0.00 46.19 43.64 3ns1 s LEU 959 CO 0.35 -0.67 -0.14 -1.61 0.23 0.00 0.00 176.35 174.51 3ns1 s GLU 960 N 1.97 2.72 -1.11 1.70 2.02 -1.26 -1.56 118.70 123.17 3ns1 s GLU 960 Ca 0.08 -0.70 -0.02 0.00 0.02 0.00 0.00 54.97 54.36 3ns1 s GLU 960 Cb -0.21 -2.44 0.00 0.00 0.10 0.00 0.00 34.13 31.58 3ns1 s GLU 960 CO 0.10 0.52 0.94 0.41 0.02 0.00 0.00 175.26 177.24 3ns1 n GLY 961 N 2.61 -0.30 3.57 -1.39 0.00 -1.26 -4.90 105.19 103.52 3ns1 n GLY 961 Ca -0.17 0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 3ns1 n GLY 961 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3ns1 s PHE 962 N -3.31 2.46 -0.35 1.61 5.36 -1.26 -4.92 117.98 117.56 3ns1 s PHE 962 Ca 0.13 0.31 0.15 0.00 -0.96 0.00 0.00 56.93 56.56 3ns1 s PHE 962 Cb -0.06 -4.52 0.50 0.00 -0.34 0.00 0.00 43.02 38.60 3ns1 s PHE 962 CO 0.65 -1.79 1.41 -1.13 -1.46 0.00 0.00 175.22 172.90 3ns1 n SER 963 N 8.93 3.79 -0.20 6.13 3.41 -1.26 -4.56 113.62 129.86 3ns1 n SER 963 Ca 0.08 -2.81 -0.07 0.00 -0.26 0.00 0.00 58.87 55.81 3ns1 n SER 963 Cb 0.49 -0.49 0.03 0.00 -0.26 0.00 0.00 64.21 63.98 3ns1 n SER 963 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3ns1 h VAL 964 N 1.97 1.21 -0.53 -3.33 2.07 -1.95 -2.40 116.25 113.28 3ns1 h VAL 964 Ca 0.00 -0.59 0.11 0.00 0.82 0.00 0.00 66.70 67.03 3ns1 h VAL 964 Cb 1.33 0.54 -0.09 0.00 -1.52 0.00 0.00 31.29 31.54 3ns1 h VAL 964 CO 0.19 0.24 -0.06 -0.65 0.02 0.00 0.00 177.57 177.31 3ns1 h PRO 965 N 0.78 0.06 -0.10 1.57 0.11 -1.94 0.16 132.00 132.64 3ns1 h PRO 965 Ca 0.20 -0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.34 3ns1 h PRO 965 Cb 0.12 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 31.17 3ns1 h PRO 965 CO -0.02 0.04 -0.19 0.00 -0.21 0.00 0.00 178.00 177.62 3ns1 h ARG 966 N 0.06 -0.24 -0.44 1.05 3.08 -1.88 -1.62 114.38 114.40 3ns1 h ARG 966 Ca 0.27 0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.36 3ns1 h ARG 966 Cb 0.42 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.49 3ns1 h ARG 966 CO -0.50 -0.16 0.25 0.00 -1.07 0.00 0.00 179.97 178.49 3ns1 h TRP 968 N 0.50 -0.87 -0.75 0.00 2.91 -0.68 -1.73 115.95 115.34 3ns1 h TRP 968 Ca 0.18 0.03 0.01 0.00 1.13 0.00 0.00 58.89 60.24 3ns1 h TRP 968 Cb 0.03 0.39 -0.04 0.00 -0.51 0.00 0.00 29.16 29.03 3ns1 h TRP 968 CO -0.08 -0.40 0.49 0.22 -1.03 0.00 0.00 178.44 177.65 3ns1 h ASP 969 N -0.41 0.87 0.68 2.65 3.58 -0.83 -0.80 116.42 122.16 3ns1 h ASP 969 Ca 0.08 -0.03 -0.23 0.00 0.42 0.00 0.00 57.03 57.28 3ns1 h ASP 969 Cb 0.54 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.37 3ns1 h ASP 969 CO -0.32 0.64 -1.03 -0.33 -2.88 0.00 0.00 179.24 175.32 3ns1 h GLU 970 N 1.02 0.19 -0.48 0.28 5.08 -1.30 -2.76 114.58 116.61 3ns1 h GLU 970 Ca 0.27 -0.26 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 3ns1 h GLU 970 Cb -0.10 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 3ns1 h GLU 970 CO -0.06 1.06 0.15 0.00 -1.00 0.00 0.00 179.01 179.16 3ns1 h LEU 972 N 0.64 0.62 -0.04 0.00 3.38 -1.11 -1.47 115.31 117.33 3ns1 h LEU 972 Ca 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3ns1 h LEU 972 Cb 0.27 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 3ns1 h LEU 972 CO -0.01 0.43 -0.01 0.11 0.09 0.00 0.00 178.44 179.05 3ns1 h LYS 973 N 0.75 0.08 0.00 1.13 1.57 -1.36 -1.62 116.57 117.12 3ns1 h LYS 973 Ca 0.25 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 3ns1 h LYS 973 Cb 0.02 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 3ns1 h LYS 973 CO -0.10 0.44 -0.29 -1.13 -0.57 0.00 0.00 179.45 177.80 3ns1 n SER 974 N -4.84 0.38 0.01 0.86 3.41 -0.42 -2.64 113.62 110.37 3ns1 n SER 974 Ca -0.07 0.16 0.12 0.00 -0.26 0.00 0.00 58.87 58.81 3ns1 n SER 974 Cb 0.22 -0.14 0.16 0.00 -0.26 0.00 0.00 64.21 64.19 3ns1 n SER 974 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3ns1 n SER 975 N -1.67 0.60 -3.63 4.04 3.41 -0.56 -4.97 113.62 110.85 3ns1 n SER 975 Ca 0.06 -0.31 -0.20 0.00 -0.26 0.00 0.00 58.87 58.16 3ns1 n SER 975 Cb 0.36 0.42 0.05 0.00 -0.26 0.00 0.00 64.21 64.78 3ns1 n SER 975 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ns1 n GLN 976 N -1.63 -5.22 0.01 4.33 6.02 -1.00 -4.85 117.38 115.03 3ns1 n GLN 976 Ca 0.05 0.68 -0.10 0.00 -0.01 0.00 0.00 57.00 57.61 3ns1 n GLN 976 Cb 0.36 -5.34 -0.04 0.00 1.02 0.00 0.00 30.24 26.24 3ns1 n GLN 976 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 3ns1 h TYR 977 N -1.86 -0.23 -0.12 1.08 3.20 -1.59 -1.88 116.97 115.57 3ns1 h TYR 977 Ca -0.61 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.25 3ns1 h TYR 977 Cb 1.35 0.12 -0.00 0.00 1.54 0.00 0.00 36.73 39.74 3ns1 h TYR 977 CO 0.45 -0.14 -0.03 1.88 -1.64 0.00 0.00 178.16 178.68 3ns1 h TYR 978 N -0.12 0.26 -0.02 -3.82 -1.99 -1.91 -0.76 116.97 108.60 3ns1 h TYR 978 Ca 0.06 -0.06 0.02 0.00 2.00 0.00 0.00 58.73 60.76 3ns1 h TYR 978 Cb 0.22 -0.06 -0.06 0.00 2.00 0.00 0.00 36.73 38.83 3ns1 h TYR 978 CO -0.20 0.53 -0.54 0.00 -0.00 0.00 0.00 178.16 177.95 3ns1 h ALA 979 N 0.69 -0.95 -0.41 3.88 0.00 -1.94 -2.29 119.26 118.24 3ns1 h ALA 979 Ca 0.03 -0.08 0.10 0.00 0.00 0.00 0.00 54.91 54.95 3ns1 h ALA 979 Cb 0.45 0.97 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 3ns1 h ALA 979 CO 0.01 -1.12 0.29 0.00 0.00 0.00 0.00 179.25 178.43 3ns1 h ARG 980 N -0.67 0.10 -0.72 0.00 3.08 -1.34 -2.13 114.38 112.70 3ns1 h ARG 980 Ca 0.01 -0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.14 3ns1 h ARG 980 Cb 0.72 -0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.68 3ns1 h ARG 980 CO -0.37 0.07 0.38 -0.22 -1.07 0.00 0.00 179.97 178.76 3ns1 h LYS 981 N 0.10 0.64 -0.30 0.04 3.64 -0.55 -2.20 116.57 117.96 3ns1 h LYS 981 Ca 0.19 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.58 3ns1 h LYS 981 Cb 0.63 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.26 3ns1 h LYS 981 CO -0.02 0.43 0.04 0.77 -2.27 0.00 0.00 179.45 178.40 3ns1 h SER 982 N 0.66 -0.03 -0.80 4.20 0.02 -1.22 -2.37 113.55 114.02 3ns1 h SER 982 Ca 0.34 0.05 0.09 0.00 -0.84 0.00 0.00 61.79 61.44 3ns1 h SER 982 Cb 0.31 0.08 -0.07 0.00 0.14 0.00 0.00 62.40 62.86 3ns1 h SER 982 CO -0.24 0.02 0.45 -0.33 -1.14 0.00 0.00 176.83 175.59 3ns1 h GLU 983 N 0.14 0.73 0.42 3.45 3.07 -1.38 -0.71 114.58 120.31 3ns1 h GLU 983 Ca 0.14 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 58.93 3ns1 h GLU 983 Cb 0.16 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3ns1 h GLU 983 CO -0.20 0.49 -0.20 0.28 -1.40 0.00 0.00 179.01 177.98 3ns1 h VAL 984 N 0.76 0.59 -0.45 3.13 2.07 -0.93 0.28 116.25 121.69 3ns1 h VAL 984 Ca 0.38 -0.06 0.09 0.00 0.82 0.00 0.00 66.70 67.93 3ns1 h VAL 984 Cb 0.35 0.62 -0.08 0.00 -1.52 0.00 0.00 31.29 30.67 3ns1 h VAL 984 CO -0.25 0.01 -0.04 0.44 0.02 0.00 0.00 177.57 177.76 3ns1 h ASP 985 N -0.60 -0.27 -0.20 0.57 3.32 -1.14 -0.22 116.42 117.89 3ns1 h ASP 985 Ca -0.06 0.12 0.06 0.00 0.02 0.00 0.00 57.03 57.16 3ns1 h ASP 985 Cb 0.45 0.22 -0.07 0.00 0.22 0.00 0.00 39.33 40.15 3ns1 h ASP 985 CO 0.09 -0.09 -0.24 0.50 -1.72 0.00 0.00 179.24 177.78 3ns1 h LYS 986 N 0.07 -0.26 -0.79 3.56 3.64 -0.84 -0.76 116.57 121.20 3ns1 h LYS 986 Ca 0.22 0.02 0.12 0.00 -1.27 0.00 0.00 60.65 59.74 3ns1 h LYS 986 Cb 0.33 0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 32.15 3ns1 h LYS 986 CO -0.40 -0.17 0.52 0.35 -2.27 0.00 0.00 179.45 177.47 3ns1 h PHE 987 N -0.27 0.69 0.00 1.91 3.57 0.74 -1.79 116.94 121.78 3ns1 h PHE 987 Ca 0.12 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.51 3ns1 h PHE 987 Cb 0.46 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 3ns1 h PHE 987 CO -0.38 0.29 -0.64 -0.91 -2.23 0.00 0.00 178.31 174.44 3ns1 h ASN 988 N 0.62 0.00 0.74 0.41 2.35 -0.09 -2.40 115.58 117.21 3ns1 h ASN 988 Ca 0.38 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.96 3ns1 h ASN 988 Cb 0.61 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.96 3ns1 h ASN 988 CO -0.14 0.64 -0.79 0.11 -1.65 0.00 0.00 177.43 175.60 3ns1 h LYS 989 N 0.00 0.04 -0.01 0.81 1.57 -0.33 -3.30 116.57 115.36 3ns1 h LYS 989 Ca -0.01 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3ns1 h LYS 989 Cb 1.26 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.58 3ns1 h LYS 989 CO 0.08 0.81 -0.62 0.39 -0.57 0.00 0.00 179.45 179.54 3ns1 n GLU 990 N -3.63 0.53 -4.99 3.15 1.02 -0.93 -4.96 120.64 110.84 3ns1 n GLU 990 Ca -0.01 -0.41 -0.27 0.00 -0.02 0.00 0.00 57.16 56.45 3ns1 n GLU 990 Cb 0.76 -1.49 -0.16 0.00 -0.02 0.00 0.00 31.44 30.53 3ns1 n GLU 990 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3ns1 s ASN 991 N -2.75 2.37 -0.27 1.62 0.01 -0.91 -5.06 114.94 109.97 3ns1 s ASN 991 Ca 0.15 -0.37 -0.14 0.00 -0.71 0.00 0.00 52.86 51.79 3ns1 s ASN 991 Cb 0.17 -0.30 -0.11 0.00 0.41 0.00 0.00 41.25 41.43 3ns1 s ASN 991 CO 0.69 0.24 -0.35 0.00 -1.51 0.00 0.00 177.10 176.17 3ns1 n TRP 993 N -4.24 0.64 -4.28 0.00 7.02 -1.26 -4.91 117.44 110.41 3ns1 n TRP 993 Ca -0.50 -0.53 -0.17 0.00 -1.02 0.00 0.00 57.50 55.27 3ns1 n TRP 993 Cb 0.85 -0.05 -0.15 0.00 -2.42 0.00 0.00 31.31 29.54 3ns1 n TRP 993 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 3ns1 s LYS 994 N -1.16 0.61 0.10 -0.99 1.02 -1.26 -1.74 119.74 116.31 3ns1 s LYS 994 Ca 0.31 -0.28 0.03 0.00 0.02 0.00 0.00 55.97 56.05 3ns1 s LYS 994 Cb 0.17 -0.58 -0.04 0.00 -0.52 0.00 0.00 37.83 36.86 3ns1 s LYS 994 CO 0.19 0.16 -0.09 0.15 -0.92 0.00 0.00 175.35 174.84 3ns1 s LYS 995 N -0.20 0.84 0.13 1.68 -0.14 -0.99 -4.75 119.74 116.30 3ns1 s LYS 995 Ca 0.03 -1.20 0.09 0.00 -1.36 0.00 0.00 55.97 53.52 3ns1 s LYS 995 Cb -0.03 -0.44 -0.04 0.00 -1.68 0.00 0.00 37.83 35.64 3ns1 s LYS 995 CO -0.00 0.05 -0.15 1.03 -0.76 0.00 0.00 175.35 175.52 3ns1 s ARG 996 N -3.05 1.91 0.06 1.68 0.52 -1.26 -0.13 118.95 118.68 3ns1 s ARG 996 Ca 0.07 -1.18 0.02 0.00 -0.52 0.00 0.00 55.73 54.11 3ns1 s ARG 996 Cb -0.01 -2.15 -0.03 0.00 0.52 0.00 0.00 34.95 33.28 3ns1 s ARG 996 CO -0.01 0.47 -0.06 0.20 0.02 0.00 0.00 175.30 175.92 3ns1 s GLY 997 N -2.34 0.59 -0.12 -3.53 0.00 -0.80 -4.33 107.32 96.79 3ns1 s GLY 997 Ca 0.20 -1.04 -0.05 0.00 0.00 0.00 0.00 44.72 43.84 3ns1 s GLY 997 CO 0.12 -1.12 0.26 -2.27 0.00 0.00 0.00 173.10 170.09 3ns1 s LEU 998 N -2.30 -0.05 0.07 0.66 2.96 -1.26 -2.22 118.68 116.54 3ns1 s LEU 998 Ca 0.00 0.58 0.02 0.00 -0.22 0.00 0.00 54.13 54.52 3ns1 s LEU 998 Cb -0.02 0.74 -0.03 0.00 0.50 0.00 0.00 46.19 47.37 3ns1 s LEU 998 CO -0.03 -0.21 -0.08 0.00 -1.32 0.00 0.00 176.35 174.71 3ns1 s ILE 1000N -2.35 0.69 -0.06 0.00 2.07 -1.26 -1.91 121.20 118.39 3ns1 s ILE 1000Ca 0.01 -0.17 0.02 0.00 -1.41 0.00 0.00 60.65 59.10 3ns1 s ILE 1000Cb -0.03 -0.72 0.01 0.00 0.13 0.00 0.00 42.46 41.85 3ns1 s ILE 1000CO -0.01 0.28 -0.12 -0.63 -1.91 0.00 0.00 174.94 172.55 3ns1 s ILE 1001N 1.15 1.07 0.57 2.00 1.09 0.00 -4.89 121.20 122.20 3ns1 s ILE 1001Ca -0.07 -0.46 -0.06 0.00 -1.10 0.00 0.00 60.65 58.96 3ns1 s ILE 1001Cb -0.14 -0.98 -0.00 0.00 -1.06 0.00 0.00 42.46 40.28 3ns1 s ILE 1001CO -0.01 0.34 0.88 -2.16 -0.10 0.00 0.00 174.94 173.89 3ns1 s PRO 1002N 0.57 3.09 -0.17 2.79 0.04 -1.26 -0.91 135.00 139.15 3ns1 s PRO 1002Ca -0.12 0.08 -0.24 0.00 0.04 0.00 0.00 61.00 60.77 3ns1 s PRO 1002Cb -0.14 -2.28 0.06 0.00 0.04 0.00 0.00 34.50 32.17 3ns1 s PRO 1002CO 0.03 -0.58 0.62 -0.08 0.04 0.00 0.00 177.00 177.02 3ns1 s THR 1003N -2.95 0.00 0.09 1.26 -1.32 -0.28 -4.90 115.64 107.56 3ns1 s THR 1003Ca 0.52 -0.04 0.08 0.00 -1.21 0.00 0.00 61.69 61.05 3ns1 s THR 1003Cb -0.10 -0.89 -0.03 0.00 -1.51 0.00 0.00 72.50 69.97 3ns1 s THR 1003CO 0.46 -0.02 -0.21 -1.59 -2.21 0.00 0.00 174.62 171.04 3ns1 s LYS 1004N -0.20 1.19 -0.08 7.08 -2.85 -1.26 -1.97 119.74 121.64 3ns1 s LYS 1004Ca -0.04 -1.11 -0.03 0.00 -1.00 0.00 0.00 55.97 53.78 3ns1 s LYS 1004Cb -0.03 -1.42 0.05 0.00 -2.06 0.00 0.00 37.83 34.36 3ns1 s LYS 1004CO 0.04 0.34 0.17 0.12 0.10 0.00 0.00 175.35 176.11 3ns1 s PHE 1005N -1.08 -0.20 0.08 1.78 5.36 -0.58 -4.97 117.98 118.37 3ns1 s PHE 1005Ca 0.07 0.61 -0.30 0.00 -0.96 0.00 0.00 56.93 56.35 3ns1 s PHE 1005Cb -0.10 -0.19 -0.06 0.00 -0.34 0.00 0.00 43.02 42.34 3ns1 s PHE 1005CO 0.04 -0.25 1.16 0.20 -1.46 0.00 0.00 175.22 174.90 3ns1 s GLY 1006N 1.98 2.56 -0.36 13.12 0.00 -1.26 -1.32 107.32 122.04 3ns1 s GLY 1006Ca -0.01 0.81 -0.11 0.00 0.00 0.00 0.00 44.72 45.41 3ns1 s GLY 1006CO -0.06 1.92 0.21 -0.42 0.00 0.00 0.00 173.10 174.75 3ns1 s ILE 1007N 0.74 4.72 0.00 0.90 -1.09 -0.52 -4.97 121.20 120.97 3ns1 s ILE 1007Ca 0.56 -0.70 0.00 0.00 -2.23 0.00 0.00 60.65 58.28 3ns1 s ILE 1007Cb -0.29 -3.57 0.00 0.00 -1.58 0.00 0.00 42.46 37.02 3ns1 s ILE 1007CO 0.31 -0.17 0.00 -1.20 -1.23 0.00 0.00 174.94 172.65 3ns1 n SER 1008N 5.02 0.00 -4.74 3.58 7.64 -1.26 -1.18 113.62 122.68 3ns1 n SER 1008Ca -0.12 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.34 3ns1 n SER 1008Cb 0.47 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.65 3ns1 n SER 1008CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3ns1 s PHE 1009N -2.00 2.95 -0.33 1.43 0.40 -1.26 -4.89 117.98 114.29 3ns1 s PHE 1009Ca 0.00 0.87 0.26 0.00 -0.60 0.00 0.00 56.93 57.46 3ns1 s PHE 1009Cb 0.00 -3.91 1.10 0.00 0.51 0.00 0.00 43.02 40.72 3ns1 s PHE 1009CO 0.00 -3.08 1.77 1.79 0.70 0.00 0.00 175.22 176.40 3ns1 h THR 1010N 3.59 0.00 -3.22 0.64 1.35 -1.95 -3.37 112.91 109.95 3ns1 h THR 1010Ca -0.46 -0.25 -0.64 0.00 -0.55 0.00 0.00 66.41 64.51 3ns1 h THR 1010Cb 1.22 1.01 -0.15 0.00 -1.73 0.00 0.00 68.15 68.50 3ns1 h THR 1010CO 0.81 0.00 0.33 -0.69 -0.25 0.00 0.00 175.52 175.72 3ns1 s VAL 1011N -3.42 4.61 0.26 6.82 1.01 -1.26 -4.92 120.40 123.51 3ns1 s VAL 1011Ca 0.03 -0.07 -0.01 0.00 0.00 0.00 0.00 61.98 61.93 3ns1 s VAL 1011Cb 0.09 -4.43 0.26 0.00 0.00 0.00 0.00 36.38 32.30 3ns1 s VAL 1011CO 0.40 -0.97 1.68 -0.65 0.00 0.00 0.00 175.10 175.56 3ns1 h PRO 1012N 9.17 0.29 0.00 2.72 0.11 -1.94 -2.52 132.00 139.82 3ns1 h PRO 1012Ca -0.27 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3ns1 h PRO 1012Cb 1.08 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3ns1 h PRO 1012CO 1.03 0.19 0.00 1.97 -0.21 0.00 0.00 178.00 180.98 3ns1 n PHE 1013N -5.14 0.56 0.69 0.65 1.16 -1.26 -2.12 117.46 112.00 3ns1 n PHE 1013Ca 0.18 0.26 0.13 0.00 -1.87 0.00 0.00 57.45 56.14 3ns1 n PHE 1013Cb 0.55 -0.91 0.41 0.00 -1.61 0.00 0.00 39.48 37.92 3ns1 n PHE 1013CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 3ns1 n LEU 1014N -2.05 0.66 -3.55 5.98 4.77 -0.95 -4.38 117.00 117.48 3ns1 n LEU 1014Ca 0.01 0.52 -0.41 0.00 -0.03 0.00 0.00 56.01 56.10 3ns1 n LEU 1014Cb 0.11 -0.33 -0.01 0.00 -2.33 0.00 0.00 43.42 40.86 3ns1 n LEU 1014CO 0.12 -0.13 2.85 0.59 -1.33 0.00 0.00 177.39 179.49 3ns1 n ASN 1015N -2.10 6.49 -3.92 -1.43 3.02 -0.90 -4.73 115.26 111.69 3ns1 n ASN 1015Ca 0.06 -2.81 -0.10 0.00 -0.03 0.00 0.00 54.58 51.70 3ns1 n ASN 1015Cb 0.41 -1.56 -0.11 0.00 -0.61 0.00 0.00 39.78 37.92 3ns1 n ASN 1015CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ns1 s GLN 1016N 1.89 0.36 -0.15 3.52 -2.07 -1.26 -2.34 119.66 119.61 3ns1 s GLN 1016Ca 0.56 -0.44 -0.14 0.00 -1.82 0.00 0.00 55.36 53.52 3ns1 s GLN 1016Cb 0.16 0.14 0.04 0.00 -1.09 0.00 0.00 33.01 32.26 3ns1 s GLN 1016CO -0.07 -0.07 0.41 0.00 -1.32 0.00 0.00 175.29 174.24 3ns1 s ALA 1017N -1.26 -1.02 0.13 2.60 0.00 -0.46 -4.57 121.76 117.18 3ns1 s ALA 1017Ca -0.14 1.15 0.09 0.00 0.00 0.00 0.00 51.96 53.06 3ns1 s ALA 1017Cb -0.08 -0.66 -0.04 0.00 0.00 0.00 0.00 23.12 22.34 3ns1 s ALA 1017CO 0.00 -0.20 -0.22 0.20 0.00 0.00 0.00 175.76 175.55 3ns1 s GLY 1018N 0.18 1.40 0.12 0.00 0.00 -1.26 -1.14 107.32 106.63 3ns1 s GLY 1018Ca -0.00 -1.40 0.04 0.00 0.00 0.00 0.00 44.72 43.36 3ns1 s GLY 1018CO 0.01 -1.41 -0.10 0.00 0.00 0.00 0.00 173.10 171.60 3ns1 s ALA 1019N -1.41 1.28 -0.08 3.20 0.00 -0.32 -2.44 121.76 121.99 3ns1 s ALA 1019Ca 0.12 -1.38 -0.02 0.00 0.00 0.00 0.00 51.96 50.68 3ns1 s ALA 1019Cb -0.09 0.06 0.04 0.00 0.00 0.00 0.00 23.12 23.12 3ns1 s ALA 1019CO 0.06 -0.10 0.05 -1.17 0.00 0.00 0.00 175.76 174.60 3ns1 s LEU 1020N -2.93 0.35 -0.11 0.00 2.96 0.15 -1.97 118.68 117.13 3ns1 s LEU 1020Ca 0.13 -0.11 0.02 0.00 -0.22 0.00 0.00 54.13 53.95 3ns1 s LEU 1020Cb 0.01 -0.27 -0.01 0.00 0.50 0.00 0.00 46.19 46.43 3ns1 s LEU 1020CO -0.00 -0.25 -0.20 -0.63 -1.32 0.00 0.00 176.35 173.95 3ns1 s ILE 1021N 2.09 2.47 -0.04 6.68 1.01 -0.80 -1.89 121.20 130.73 3ns1 s ILE 1021Ca 0.04 -0.88 0.05 0.00 0.00 0.00 0.00 60.65 59.86 3ns1 s ILE 1021Cb -0.13 -1.98 -0.03 0.00 0.01 0.00 0.00 42.46 40.33 3ns1 s ILE 1021CO -0.05 0.55 -0.16 -1.00 0.00 0.00 0.00 174.94 174.28 3ns1 s HIS 1022N 0.29 2.63 -0.23 3.97 3.76 -0.32 -2.07 115.29 123.32 3ns1 s HIS 1022Ca -0.14 -0.21 -0.06 0.00 -0.15 0.00 0.00 55.06 54.49 3ns1 s HIS 1022Cb -0.17 -1.59 -0.03 0.00 1.11 0.00 0.00 32.58 31.90 3ns1 s HIS 1022CO 0.07 0.16 0.04 0.08 -0.85 0.00 0.00 174.74 174.25 3ns1 s VAL 1023N -0.73 4.15 0.71 -0.90 1.01 -0.77 -0.88 120.40 122.99 3ns1 s VAL 1023Ca 0.12 -0.23 -0.07 0.00 0.00 0.00 0.00 61.98 61.79 3ns1 s VAL 1023Cb -0.10 -2.92 0.06 0.00 0.00 0.00 0.00 36.38 33.41 3ns1 s VAL 1023CO 0.01 0.37 1.03 -0.31 0.00 0.00 0.00 175.10 176.20 3ns1 s TYR 1024N 1.42 2.96 -0.93 5.22 1.51 -0.29 -4.83 117.35 122.41 3ns1 s TYR 1024Ca 0.05 0.51 0.20 0.00 -1.01 0.00 0.00 57.07 56.82 3ns1 s TYR 1024Cb -0.15 -3.18 0.83 0.00 -0.11 0.00 0.00 41.96 39.35 3ns1 s TYR 1024CO 0.02 -1.39 1.63 0.25 -1.11 0.00 0.00 175.55 174.95 3ns1 n THR 1025N -2.94 0.70 1.67 -0.71 -2.24 -1.26 -1.09 114.28 108.41 3ns1 n THR 1025Ca 0.08 0.15 0.15 0.00 -2.27 0.00 0.00 64.05 62.16 3ns1 n THR 1025Cb 0.60 -0.87 0.74 0.00 -2.10 0.00 0.00 70.33 68.70 3ns1 n THR 1025CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3ns1 n ASP 1026N -1.63 0.49 0.00 3.42 3.85 -1.26 -4.64 116.55 116.78 3ns1 n ASP 1026Ca 0.04 -0.93 0.00 0.00 -0.71 0.00 0.00 54.79 53.19 3ns1 n ASP 1026Cb 0.23 -0.04 0.00 0.00 -1.35 0.00 0.00 41.12 39.96 3ns1 n ASP 1026CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3ns1 n GLY 1027N 1.14 0.82 3.82 6.12 0.00 -0.25 -4.88 105.19 111.98 3ns1 n GLY 1027Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 3ns1 n GLY 1027CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ns1 s SER 1028N -2.90 6.95 -0.10 1.61 1.04 -1.26 -4.84 113.70 114.21 3ns1 s SER 1028Ca 0.00 1.64 0.03 0.00 0.48 0.00 0.00 55.95 58.11 3ns1 s SER 1028Cb 0.00 -2.52 0.01 0.00 0.10 0.00 0.00 66.02 63.61 3ns1 s SER 1028CO 0.00 -0.31 -0.21 -0.69 0.98 0.00 0.00 173.24 173.01 3ns1 s VAL 1029N -2.10 1.84 -0.24 5.02 1.01 -0.75 -1.14 120.40 124.05 3ns1 s VAL 1029Ca 0.60 -0.88 -0.06 0.00 0.00 0.00 0.00 61.98 61.64 3ns1 s VAL 1029Cb -0.10 -1.61 -0.02 0.00 0.00 0.00 0.00 36.38 34.65 3ns1 s VAL 1029CO 0.15 0.51 0.02 -0.22 0.00 0.00 0.00 175.10 175.55 3ns1 s LEU 1030N 0.52 3.18 -0.06 3.92 2.96 -0.06 -1.01 118.68 128.14 3ns1 s LEU 1030Ca -0.16 -0.29 -0.01 0.00 -0.22 0.00 0.00 54.13 53.45 3ns1 s LEU 1030Cb -0.17 -1.84 -0.03 0.00 0.50 0.00 0.00 46.19 44.65 3ns1 s LEU 1030CO 0.06 -0.03 0.02 -0.69 -1.32 0.00 0.00 176.35 174.39 3ns1 s VAL 1031N 1.54 4.39 -0.10 1.68 1.01 -0.67 -1.17 120.40 127.08 3ns1 s VAL 1031Ca 0.06 -0.33 -0.05 0.00 0.00 0.00 0.00 61.98 61.66 3ns1 s VAL 1031Cb -0.15 -2.90 0.05 0.00 0.00 0.00 0.00 36.38 33.38 3ns1 s VAL 1031CO 0.00 0.52 0.25 -0.55 0.00 0.00 0.00 175.10 175.32 3ns1 s SER 1032N -1.17 -0.26 0.27 3.32 0.15 -0.79 -4.38 113.70 110.84 3ns1 s SER 1032Ca 0.16 0.52 0.02 0.00 0.70 0.00 0.00 55.95 57.35 3ns1 s SER 1032Cb -0.11 0.41 -0.05 0.00 -1.71 0.00 0.00 66.02 64.56 3ns1 s SER 1032CO 0.06 -0.17 0.11 -1.38 1.20 0.00 0.00 173.24 173.07 3ns1 s HIS 1033N 1.25 1.52 -0.62 3.44 -3.43 -1.26 0.31 115.29 116.51 3ns1 s HIS 1033Ca -0.09 -1.24 0.22 0.00 -0.80 0.00 0.00 55.06 53.14 3ns1 s HIS 1033Cb -0.10 -0.87 0.90 0.00 -1.43 0.00 0.00 32.58 31.08 3ns1 s HIS 1033CO -0.08 -0.40 1.67 0.41 -2.00 0.00 0.00 174.74 174.33 3ns1 n GLY 1034N -0.48 -1.26 3.87 -1.38 0.00 -1.02 -4.74 105.19 100.17 3ns1 n GLY 1034Ca 0.00 0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 3ns1 n GLY 1034CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ns1 s GLY 1035N -3.43 1.98 0.16 -0.02 0.00 -1.26 -4.80 107.32 99.95 3ns1 s GLY 1035Ca 0.05 -0.11 0.08 0.00 0.00 0.00 0.00 44.72 44.75 3ns1 s GLY 1035CO 0.38 0.10 -0.09 -0.51 0.00 0.00 0.00 173.10 172.98 3ns1 s THR 1036N -2.42 3.29 -0.12 0.90 -4.23 -1.26 -4.76 115.64 107.03 3ns1 s THR 1036Ca 0.53 -1.52 -0.21 0.00 -1.18 0.00 0.00 61.69 59.31 3ns1 s THR 1036Cb -0.10 -2.60 -0.04 0.00 1.34 0.00 0.00 72.50 71.10 3ns1 s THR 1036CO 0.31 -0.04 0.59 -0.70 -0.54 0.00 0.00 174.62 174.24 3ns1 s GLU 1037N -2.65 4.34 -0.04 3.99 2.56 -1.26 -4.85 118.70 120.78 3ns1 s GLU 1037Ca 0.24 0.64 0.07 0.00 0.00 0.00 0.00 54.97 55.92 3ns1 s GLU 1037Cb -0.10 -3.48 0.12 0.00 2.00 0.00 0.00 34.13 32.67 3ns1 s GLU 1037CO 0.15 0.01 1.06 0.00 -0.56 0.00 0.00 175.26 175.92 3ns1 n MET 1038N 4.09 0.36 0.00 4.30 0.00 -1.26 -1.27 117.12 123.34 3ns1 n MET 1038Ca -0.04 -1.54 0.00 0.00 0.00 0.00 0.00 57.70 56.13 3ns1 n MET 1038Cb 0.51 -0.74 0.00 0.00 0.00 0.00 0.00 33.22 32.99 3ns1 n MET 1038CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3ns1 n GLY 1039N -0.35 0.61 0.03 3.17 0.00 -1.26 -3.53 105.19 103.86 3ns1 n GLY 1039Ca 0.05 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.21 3ns1 n GLY 1039CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ns1 n GLN 1040N -1.42 0.08 -1.40 1.61 0.00 -1.26 -4.92 117.38 110.06 3ns1 n GLN 1040Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 57.00 57.06 3ns1 n GLN 1040Cb 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 30.24 28.65 3ns1 n GLN 1040CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3ns1 n GLY 1041N 1.44 0.93 0.18 2.61 0.00 -1.26 -4.99 105.19 104.10 3ns1 n GLY 1041Ca 0.07 -0.56 -0.13 0.00 0.00 0.00 0.00 46.02 45.39 3ns1 n GLY 1041CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3ns1 h LEU 1042N 0.00 -0.31 -0.66 0.99 5.85 -1.91 -1.47 115.31 117.79 3ns1 h LEU 1042Ca 0.00 -0.17 0.09 0.00 0.84 0.00 0.00 57.88 58.64 3ns1 h LEU 1042Cb 0.66 0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.71 3ns1 h LEU 1042CO 0.00 0.01 0.31 0.45 -0.34 0.00 0.00 178.44 178.86 3ns1 h HIS 1043N -0.66 0.55 -0.46 1.25 3.86 -1.95 0.56 115.15 118.31 3ns1 h HIS 1043Ca -0.04 0.03 0.09 0.00 -1.16 0.00 0.00 60.37 59.29 3ns1 h HIS 1043Cb 0.46 -0.15 -0.09 0.00 1.06 0.00 0.00 27.41 28.70 3ns1 h HIS 1043CO 0.01 0.19 -0.14 1.15 0.86 0.00 0.00 177.93 180.01 3ns1 h THR 1044N 0.54 0.50 -0.27 2.45 2.02 -1.96 -0.27 112.91 115.92 3ns1 h THR 1044Ca 0.33 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.47 3ns1 h THR 1044Cb 0.35 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 3ns1 h THR 1044CO -0.27 0.00 0.02 0.11 0.37 0.00 0.00 175.52 175.76 3ns1 h LYS 1045N -0.03 0.46 -0.83 6.66 1.57 0.11 -1.84 116.57 122.67 3ns1 h LYS 1045Ca 0.22 -0.13 0.06 0.00 -1.87 0.00 0.00 60.65 58.92 3ns1 h LYS 1045Cb 0.36 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.57 3ns1 h LYS 1045CO -0.48 0.60 0.55 0.52 -0.57 0.00 0.00 179.45 180.06 3ns1 h MET 1046N 0.26 0.92 -0.52 3.15 2.86 -0.78 -0.17 114.93 120.65 3ns1 h MET 1046Ca 0.08 -0.06 -0.07 0.00 -2.06 0.00 0.00 59.70 57.60 3ns1 h MET 1046Cb 0.37 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.81 3ns1 h MET 1046CO 0.01 0.61 0.07 0.28 1.06 0.00 0.00 176.91 178.94 3ns1 h VAL 1047N 0.95 1.25 -0.32 -2.22 2.07 -0.74 -0.59 116.25 116.65 3ns1 h VAL 1047Ca 0.35 -0.97 0.05 0.00 0.82 0.00 0.00 66.70 66.95 3ns1 h VAL 1047Cb 0.17 0.87 -0.05 0.00 -1.52 0.00 0.00 31.29 30.76 3ns1 h VAL 1047CO -0.12 0.35 0.02 1.56 0.02 0.00 0.00 177.57 179.40 3ns1 h GLN 1048N 0.76 0.12 0.06 1.57 4.20 -0.89 -1.48 115.11 119.45 3ns1 h GLN 1048Ca 0.16 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.88 3ns1 h GLN 1048Cb 0.42 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.14 3ns1 h GLN 1048CO 0.01 0.08 -0.24 0.28 -0.67 0.00 0.00 178.83 178.29 3ns1 h VAL 1049N 0.12 0.46 -0.64 -0.54 2.07 -0.75 -2.11 116.25 114.86 3ns1 h VAL 1049Ca 0.15 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.69 3ns1 h VAL 1049Cb 0.19 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 3ns1 h VAL 1049CO -0.24 0.00 0.41 0.00 0.02 0.00 0.00 177.57 177.76 3ns1 h ALA 1050N 0.40 0.82 -0.61 1.67 0.00 -1.06 -0.19 119.26 120.29 3ns1 h ALA 1050Ca 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3ns1 h ALA 1050Cb 0.46 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3ns1 h ALA 1050CO -0.18 0.19 0.39 1.03 0.00 0.00 0.00 179.25 180.68 3ns1 h SER 1051N 0.82 0.72 -0.38 0.00 0.87 -1.10 0.17 113.55 114.64 3ns1 h SER 1051Ca 0.25 -0.04 -0.09 0.00 -1.23 0.00 0.00 61.79 60.68 3ns1 h SER 1051Cb -0.03 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.74 3ns1 h SER 1051CO -0.08 0.54 -0.10 0.50 -0.53 0.00 0.00 176.83 177.16 3ns1 h LYS 1052N 0.83 0.74 -0.42 2.24 3.64 -1.15 -0.25 116.57 122.20 3ns1 h LYS 1052Ca 0.22 -0.29 -0.11 0.00 -1.27 0.00 0.00 60.65 59.21 3ns1 h LYS 1052Cb -0.06 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 3ns1 h LYS 1052CO -0.05 0.89 -0.16 0.00 -2.27 0.00 0.00 179.45 177.87 3ns1 h ALA 1053N 0.83 0.59 0.00 5.00 0.00 -0.45 -3.07 119.26 122.15 3ns1 h ALA 1053Ca 0.09 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3ns1 h ALA 1053Cb 0.62 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3ns1 h ALA 1053CO 0.04 0.52 -0.41 -0.07 0.00 0.00 0.00 179.25 179.33 3ns1 h LEU 1054N 0.68 0.00 -2.46 0.00 3.38 -0.77 -3.47 115.31 112.67 3ns1 h LEU 1054Ca 0.10 -0.01 -0.24 0.00 0.09 0.00 0.00 57.88 57.82 3ns1 h LEU 1054Cb 0.71 0.00 0.19 0.00 0.09 0.00 0.00 40.66 41.65 3ns1 h LEU 1054CO 0.05 0.01 -0.82 0.29 0.09 0.00 0.00 178.44 178.06 3ns1 n LYS 1055N -2.85 -2.17 -3.92 1.13 5.02 -0.14 -5.07 118.16 110.16 3ns1 n LYS 1055Ca 0.03 0.87 -0.10 0.00 -2.02 0.00 0.00 58.31 57.09 3ns1 n LYS 1055Cb 0.53 -5.74 -0.09 0.00 -0.02 0.00 0.00 35.03 29.70 3ns1 n LYS 1055CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3ns1 s ILE 1056N -3.37 0.12 0.68 -0.18 -4.36 -1.00 -5.06 121.20 108.03 3ns1 s ILE 1056Ca 0.44 -1.00 -0.17 0.00 -0.26 0.00 0.00 60.65 59.65 3ns1 s ILE 1056Cb -0.06 -0.77 0.01 0.00 1.25 0.00 0.00 42.46 42.89 3ns1 s ILE 1056CO 0.72 -0.55 1.25 -2.84 0.24 0.00 0.00 174.94 173.76 3ns1 s PRO 1057N -2.31 2.40 0.57 0.37 0.02 -1.26 -4.60 135.00 130.18 3ns1 s PRO 1057Ca -0.07 1.91 0.26 0.00 0.02 0.00 0.00 61.00 63.12 3ns1 s PRO 1057Cb -0.03 -1.85 1.53 0.00 0.02 0.00 0.00 34.50 34.17 3ns1 s PRO 1057CO -0.03 -1.67 2.06 -0.84 -0.33 0.00 0.00 177.00 176.18 3ns1 h ILE 1058N 0.21 0.59 0.00 2.83 3.07 -1.92 -2.40 117.51 119.89 3ns1 h ILE 1058Ca -0.49 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.92 3ns1 h ILE 1058Cb 1.32 0.80 0.00 0.00 -0.27 0.00 0.00 36.82 38.67 3ns1 h ILE 1058CO 0.52 0.00 0.00 0.77 -1.05 0.00 0.00 178.15 178.39 3ns1 h SER 1059N 0.00 0.00 0.73 2.16 4.64 -1.98 -1.56 113.55 117.54 3ns1 h SER 1059Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 3ns1 h SER 1059Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 3ns1 h SER 1059CO -0.00 0.00 -0.15 0.29 -0.87 0.00 0.00 176.83 176.10 3ns1 n LYS 1060N -2.54 0.15 -4.81 4.77 5.02 -0.90 -4.90 118.16 114.95 3ns1 n LYS 1060Ca 0.01 -0.04 -0.33 0.00 -2.02 0.00 0.00 58.31 55.93 3ns1 n LYS 1060Cb 0.21 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.59 3ns1 n LYS 1060CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3ns1 s ILE 1061N -2.88 3.25 0.01 -0.18 1.01 -0.59 -1.81 121.20 120.01 3ns1 s ILE 1061Ca 0.17 -0.65 0.02 0.00 0.00 0.00 0.00 60.65 60.19 3ns1 s ILE 1061Cb 0.19 -2.29 -0.01 0.00 0.01 0.00 0.00 42.46 40.36 3ns1 s ILE 1061CO 0.56 0.59 -0.06 -0.47 0.00 0.00 0.00 174.94 175.56 3ns1 s TYR 1062N -0.71 0.56 -0.12 3.97 5.04 -0.18 -4.98 117.35 120.94 3ns1 s TYR 1062Ca 0.11 -0.20 0.02 0.00 -2.44 0.00 0.00 57.07 54.56 3ns1 s TYR 1062Cb -0.11 -0.35 -0.01 0.00 0.35 0.00 0.00 41.96 41.85 3ns1 s TYR 1062CO 0.01 -0.03 -0.19 0.42 -1.34 0.00 0.00 175.55 174.42 3ns1 s ILE 1063N -0.44 2.46 -0.26 3.14 1.01 -1.26 -1.66 121.20 124.18 3ns1 s ILE 1063Ca -0.01 -0.87 -0.01 0.00 0.00 0.00 0.00 60.65 59.76 3ns1 s ILE 1063Cb -0.04 -1.99 -0.16 0.00 0.01 0.00 0.00 42.46 40.28 3ns1 s ILE 1063CO -0.00 0.54 -0.25 -0.24 0.00 0.00 0.00 174.94 174.99 3ns1 n SER 1064N 3.58 1.99 -3.65 3.58 2.88 -1.26 -5.06 113.62 115.68 3ns1 n SER 1064Ca -0.19 -0.04 0.01 0.00 -1.33 0.00 0.00 58.87 57.32 3ns1 n SER 1064Cb 0.53 -0.49 -0.00 0.00 -0.75 0.00 0.00 64.21 63.50 3ns1 n SER 1064CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 3ns1 s GLU 1065N -2.51 0.53 -0.17 -1.46 -1.05 -1.26 -4.83 118.70 107.95 3ns1 s GLU 1065Ca -0.35 -0.31 -0.03 0.00 -0.15 0.00 0.00 54.97 54.13 3ns1 s GLU 1065Cb 0.10 0.17 -0.02 0.00 -0.44 0.00 0.00 34.13 33.94 3ns1 s GLU 1065CO 0.57 -0.25 -0.05 0.99 0.95 0.00 0.00 175.26 177.47 3ns1 s THR 1066N -2.42 3.64 -0.06 1.83 2.01 -0.18 -4.77 115.64 115.69 3ns1 s THR 1066Ca 0.17 -0.44 -0.07 0.00 0.31 0.00 0.00 61.69 61.67 3ns1 s THR 1066Cb 0.03 -2.60 0.02 0.00 0.01 0.00 0.00 72.50 69.95 3ns1 s THR 1066CO -0.02 0.48 0.18 -0.94 -0.69 0.00 0.00 174.62 173.63 3ns1 s SER 1067N 0.65 -0.17 0.10 3.53 1.04 -1.26 -0.32 113.70 117.27 3ns1 s SER 1067Ca -0.03 0.31 0.19 0.00 0.48 0.00 0.00 55.95 56.89 3ns1 s SER 1067Cb -0.15 0.36 0.78 0.00 0.10 0.00 0.00 66.02 67.11 3ns1 s SER 1067CO 0.02 -0.10 1.58 0.35 0.98 0.00 0.00 173.24 176.07 3ns1 n THR 1068N 2.79 0.88 1.02 2.02 -2.24 -0.92 -1.83 114.28 116.00 3ns1 n THR 1068Ca -0.14 0.22 0.12 0.00 -2.27 0.00 0.00 64.05 61.98 3ns1 n THR 1068Cb 0.58 -1.02 0.21 0.00 -2.10 0.00 0.00 70.33 68.00 3ns1 n THR 1068CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3ns1 n ASN 1069N -1.79 2.70 -0.06 3.42 6.94 -1.26 -4.10 115.26 121.11 3ns1 n ASN 1069Ca 0.03 -1.89 -0.10 0.00 -0.02 0.00 0.00 54.58 52.60 3ns1 n ASN 1069Cb 0.21 -0.04 -0.05 0.00 -2.36 0.00 0.00 39.78 37.54 3ns1 n ASN 1069CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 3ns1 n THR 1070N 1.09 0.69 -4.01 5.53 -2.24 -0.76 -4.97 114.28 109.60 3ns1 n THR 1070Ca 0.16 -0.23 -0.31 0.00 -2.27 0.00 0.00 64.05 61.41 3ns1 n THR 1070Cb 0.54 -1.23 -0.16 0.00 -2.10 0.00 0.00 70.33 67.38 3ns1 n THR 1070CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3ns1 s VAL 1071N -2.23 1.70 0.44 2.28 1.01 -0.96 -4.78 120.40 117.86 3ns1 s VAL 1071Ca -0.17 -1.05 -0.03 0.00 0.00 0.00 0.00 61.98 60.74 3ns1 s VAL 1071Cb 0.05 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.64 3ns1 s VAL 1071CO 0.25 0.18 0.70 -2.16 0.00 0.00 0.00 175.10 174.07 3ns1 s PRO 1072N 1.37 3.40 -1.42 2.72 0.04 -1.26 -4.45 135.00 135.40 3ns1 s PRO 1072Ca -0.01 -0.09 -0.09 0.00 0.04 0.00 0.00 61.00 60.84 3ns1 s PRO 1072Cb -0.16 -2.48 0.02 0.00 0.04 0.00 0.00 34.50 31.92 3ns1 s PRO 1072CO -0.08 -0.15 1.06 0.09 0.04 0.00 0.00 177.00 177.96 3ns1 n ASN 1073N -2.11 -6.08 -4.88 6.66 3.02 -1.26 -4.95 115.26 105.65 3ns1 n ASN 1073Ca -0.01 -0.54 -0.33 0.00 -0.03 0.00 0.00 54.58 53.68 3ns1 n ASN 1073Cb 0.56 -4.81 -0.05 0.00 -0.61 0.00 0.00 39.78 34.86 3ns1 n ASN 1073CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3ns1 s SER 1074N -3.21 6.59 0.63 6.41 1.04 -1.26 -5.05 113.70 118.85 3ns1 s SER 1074Ca 0.56 0.78 -0.14 0.00 0.48 0.00 0.00 55.95 57.62 3ns1 s SER 1074Cb -0.25 -2.17 -0.02 0.00 0.10 0.00 0.00 66.02 63.68 3ns1 s SER 1074CO 0.69 0.04 1.07 -0.44 0.98 0.00 0.00 173.24 175.58 3ns1 s SER 1075N -2.20 5.53 0.54 7.02 0.01 -1.26 -4.53 113.70 118.81 3ns1 s SER 1075Ca 0.41 1.81 -0.22 0.00 1.31 0.00 0.00 55.95 59.26 3ns1 s SER 1075Cb -0.12 -2.53 -0.06 0.00 0.21 0.00 0.00 66.02 63.52 3ns1 s SER 1075CO 0.22 -1.34 1.24 -0.81 0.41 0.00 0.00 173.24 172.96 3ns1 n PRO 1076N -2.37 1.52 -1.88 12.44 -0.04 -1.26 -4.86 135.00 138.54 3ns1 n PRO 1076Ca 0.09 0.56 -0.30 0.00 -0.04 0.00 0.00 63.50 63.81 3ns1 n PRO 1076Cb 0.53 -2.43 -0.04 0.00 -0.04 0.00 0.00 33.50 31.52 3ns1 n PRO 1076CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3ns1 s THR 1077N -1.32 3.27 0.24 0.52 2.01 -0.40 -4.87 115.64 115.09 3ns1 s THR 1077Ca 0.71 -0.05 -0.08 0.00 0.31 0.00 0.00 61.69 62.58 3ns1 s THR 1077Cb -0.44 -3.65 0.03 0.00 0.01 0.00 0.00 72.50 68.45 3ns1 s THR 1077CO 0.50 -0.62 0.47 0.00 -0.69 0.00 0.00 174.62 174.28 3ns1 n ALA 1078N 14.68 -0.97 -0.72 7.40 0.00 -1.26 -4.96 120.51 134.68 3ns1 n ALA 1078Ca 0.34 -0.83 0.00 0.00 0.00 0.00 0.00 53.44 52.95 3ns1 n ALA 1078Cb 0.49 0.67 0.00 0.00 0.00 0.00 0.00 19.45 20.61 3ns1 n ALA 1078CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ns1 n ALA 1079N -1.48 0.00 -0.96 0.00 0.00 -1.26 -3.18 120.51 113.63 3ns1 n ALA 1079Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3ns1 n ALA 1079Cb 0.37 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.64 3ns1 n ALA 1079CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3ns1 n SER 1080N -0.38 0.00 -0.56 0.00 7.64 -1.26 -4.50 113.62 114.56 3ns1 n SER 1080Ca 0.00 0.00 0.11 0.00 1.01 0.00 0.00 58.87 59.99 3ns1 n SER 1080Cb 0.26 -0.14 0.41 0.00 -1.01 0.00 0.00 64.21 63.73 3ns1 n SER 1080CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 3ns1 n VAL 1081N -2.00 0.16 -0.24 0.44 0.24 -1.19 -4.51 118.33 111.23 3ns1 n VAL 1081Ca 0.00 -0.33 -0.07 0.00 -2.04 0.00 0.00 64.34 61.89 3ns1 n VAL 1081Cb 0.00 0.43 0.04 0.00 -1.47 0.00 0.00 33.84 32.84 3ns1 n VAL 1081CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 3ns1 h SER 1082N 2.33 0.97 0.05 -1.34 0.02 -1.90 -0.62 113.55 113.06 3ns1 h SER 1082Ca 0.00 -0.20 -0.08 0.00 -0.84 0.00 0.00 61.79 60.66 3ns1 h SER 1082Cb 0.51 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 3ns1 h SER 1082CO 0.00 0.91 -0.26 0.74 -1.14 0.00 0.00 176.83 177.09 3ns1 h THR 1083N 0.97 1.25 0.17 -2.27 2.02 -1.97 -0.27 112.91 112.82 3ns1 h THR 1083Ca 0.22 -1.20 -0.01 0.00 0.77 0.00 0.00 66.41 66.19 3ns1 h THR 1083Cb 0.28 1.40 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 3ns1 h THR 1083CO -0.01 0.37 -0.08 0.44 0.37 0.00 0.00 175.52 176.61 3ns1 h ASP 1084N 0.31 -0.19 0.17 4.18 5.19 -1.64 -2.23 116.42 122.20 3ns1 h ASP 1084Ca 0.05 -0.32 -0.24 0.00 -0.62 0.00 0.00 57.03 55.89 3ns1 h ASP 1084Cb 0.62 0.05 0.02 0.00 0.18 0.00 0.00 39.33 40.20 3ns1 h ASP 1084CO 0.04 0.27 -1.09 0.16 -3.12 0.00 0.00 179.24 175.50 3ns1 h ILE 1085N -0.71 1.39 -0.00 0.35 3.07 -0.96 -2.45 117.51 118.19 3ns1 h ILE 1085Ca -0.02 -2.57 -0.19 0.00 1.55 0.00 0.00 64.86 63.63 3ns1 h ILE 1085Cb 0.50 3.10 -0.01 0.00 -0.27 0.00 0.00 36.82 40.14 3ns1 h ILE 1085CO 0.04 0.75 -0.83 1.88 -1.05 0.00 0.00 178.15 178.93 3ns1 h TYR 1086N -0.21 0.24 -0.47 0.16 -1.99 -1.21 -2.04 116.97 111.44 3ns1 h TYR 1086Ca -0.20 -0.13 0.08 0.00 2.00 0.00 0.00 58.73 60.49 3ns1 h TYR 1086Cb 1.82 -0.03 -0.07 0.00 2.00 0.00 0.00 36.73 40.45 3ns1 h TYR 1086CO 0.17 0.92 0.09 0.78 -0.00 0.00 0.00 178.16 180.12 3ns1 h GLY 1087N 1.91 0.57 0.94 3.88 0.00 -1.46 0.12 103.07 109.04 3ns1 h GLY 1087Ca -0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 3ns1 h GLY 1087CO 0.12 -0.06 0.14 -1.61 0.00 0.00 0.00 176.54 175.13 3ns1 h GLN 1088N 0.22 0.40 -0.35 4.80 5.75 -1.23 -1.23 115.11 123.47 3ns1 h GLN 1088Ca 0.24 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.66 3ns1 h GLN 1088Cb 0.31 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.77 3ns1 h GLN 1088CO -0.31 0.36 0.13 0.00 -2.65 0.00 0.00 178.83 176.36 3ns1 h ALA 1089N 1.01 0.45 -0.77 3.38 0.00 -0.91 -1.34 119.26 121.08 3ns1 h ALA 1089Ca 0.10 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.94 3ns1 h ALA 1089Cb 0.09 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 3ns1 h ALA 1089CO -0.01 0.06 0.45 0.28 0.00 0.00 0.00 179.25 180.02 3ns1 h VAL 1090N 0.41 0.98 -1.00 0.00 2.07 -0.80 -2.31 116.25 115.60 3ns1 h VAL 1090Ca 0.11 -0.28 0.03 0.00 0.82 0.00 0.00 66.70 67.39 3ns1 h VAL 1090Cb 0.19 0.10 -0.06 0.00 -1.52 0.00 0.00 31.29 30.00 3ns1 h VAL 1090CO -0.01 0.15 0.66 0.22 0.02 0.00 0.00 177.57 178.60 3ns1 h TYR 1091N 0.81 1.23 -0.46 1.57 3.20 -0.74 -1.94 116.97 120.64 3ns1 h TYR 1091Ca 0.35 0.03 -0.14 0.00 3.14 0.00 0.00 58.73 62.11 3ns1 h TYR 1091Cb 0.23 -0.41 -0.01 0.00 1.54 0.00 0.00 36.73 38.07 3ns1 h TYR 1091CO -0.06 0.72 -0.26 0.93 -1.64 0.00 0.00 178.16 177.85 3ns1 h GLU 1092N 1.28 0.98 -0.51 1.82 4.39 -0.97 -2.47 114.58 119.11 3ns1 h GLU 1092Ca 0.39 -0.44 -0.04 0.00 0.34 0.00 0.00 59.36 59.61 3ns1 h GLU 1092Cb -0.03 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.58 3ns1 h GLU 1092CO -0.12 1.12 0.17 0.00 -1.16 0.00 0.00 179.01 179.02 3ns1 h ALA 1093N 0.85 1.35 -0.27 3.43 0.00 -1.18 -2.73 119.26 120.72 3ns1 h ALA 1093Ca 0.10 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3ns1 h ALA 1093Cb 0.84 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3ns1 h ALA 1093CO 0.07 0.48 0.09 0.00 0.00 0.00 0.00 179.25 179.89 3ns1 h GLN 1095N 0.28 -0.22 -0.83 0.00 1.08 -1.22 0.21 115.11 114.39 3ns1 h GLN 1095Ca 0.09 0.02 0.16 0.00 -1.45 0.00 0.00 58.65 57.46 3ns1 h GLN 1095Cb 0.22 0.05 -0.10 0.00 -0.05 0.00 0.00 27.48 27.60 3ns1 h GLN 1095CO -0.00 -0.15 0.39 1.15 -0.95 0.00 0.00 178.83 179.27 3ns1 h THR 1096N -0.23 0.66 -0.04 -0.54 2.02 -1.47 0.89 112.91 114.20 3ns1 h THR 1096Ca 0.07 -0.18 -0.00 0.00 0.77 0.00 0.00 66.41 67.06 3ns1 h THR 1096Cb 0.32 0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 66.81 3ns1 h THR 1096CO -0.18 0.10 0.01 0.40 0.37 0.00 0.00 175.52 176.22 3ns1 h ILE 1097N 0.53 1.13 -0.37 3.11 2.04 -0.85 -2.49 117.51 120.61 3ns1 h ILE 1097Ca 0.47 -0.39 0.07 0.00 1.00 0.00 0.00 64.86 66.01 3ns1 h ILE 1097Cb 0.73 1.33 -0.07 0.00 -0.74 0.00 0.00 36.82 38.07 3ns1 h ILE 1097CO -0.41 0.11 -0.06 -0.07 0.00 0.00 0.00 178.15 177.72 3ns1 h LEU 1098N -0.10 -0.28 -0.37 1.44 3.38 0.43 -1.28 115.31 118.53 3ns1 h LEU 1098Ca 0.01 0.10 0.08 0.00 0.09 0.00 0.00 57.88 58.16 3ns1 h LEU 1098Cb 0.16 0.20 -0.07 0.00 0.09 0.00 0.00 40.66 41.04 3ns1 h LEU 1098CO -0.00 -0.10 -0.13 0.11 0.09 0.00 0.00 178.44 178.41 3ns1 h LYS 1099N 0.03 -0.05 -0.02 1.13 1.57 -0.84 0.24 116.57 118.63 3ns1 h LYS 1099Ca 0.18 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.91 3ns1 h LYS 1099Cb 0.27 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 3ns1 h LYS 1099CO -0.36 -0.04 -0.25 0.00 -0.57 0.00 0.00 179.45 178.24 3ns1 h ARG 1100N -0.06 0.04 0.00 3.15 3.08 -1.23 -2.32 114.38 117.04 3ns1 h ARG 1100Ca 0.18 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.22 3ns1 h ARG 1100Cb 0.33 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.38 3ns1 h ARG 1100CO -0.41 0.29 -0.14 -0.07 -1.07 0.00 0.00 179.97 178.57 3ns1 h LEU 1101N 0.04 0.00 -0.72 3.04 3.38 -0.57 -3.40 115.31 117.07 3ns1 h LEU 1101Ca 0.00 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.13 3ns1 h LEU 1101Cb 0.46 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.08 3ns1 h LEU 1101CO 0.03 0.02 -0.06 -0.08 0.09 0.00 0.00 178.44 178.44 3ns1 h GLU 1102N 0.00 0.07 0.00 1.13 4.57 -0.38 -2.04 114.58 117.93 3ns1 h GLU 1102Ca -0.00 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 3ns1 h GLU 1102Cb 1.01 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.59 3ns1 h GLU 1102CO 0.00 0.04 -0.04 -1.35 -1.18 0.00 0.00 179.01 176.48 3ns1 h PRO 1103N 0.07 0.00 0.12 0.92 0.11 -1.78 -2.01 132.00 129.43 3ns1 h PRO 1103Ca 0.38 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 66.19 3ns1 h PRO 1103Cb 0.64 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.74 3ns1 h PRO 1103CO -0.67 0.04 -1.49 0.74 -0.21 0.00 0.00 178.00 176.42 3ns1 h PHE 1104N 0.00 0.46 -0.67 0.65 -1.00 -1.68 -2.42 116.94 112.28 3ns1 h PHE 1104Ca -0.00 -0.34 0.07 0.00 2.81 0.00 0.00 57.97 60.52 3ns1 h PHE 1104Cb 0.09 -0.02 -0.06 0.00 3.61 0.00 0.00 35.95 39.57 3ns1 h PHE 1104CO 0.00 1.36 0.35 -0.22 -1.61 0.00 0.00 178.31 178.19 3ns1 h LYS 1105N 0.07 0.60 -0.44 1.51 3.64 -1.29 -2.09 116.57 118.58 3ns1 h LYS 1105Ca -0.23 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.03 3ns1 h LYS 1105Cb 2.01 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 33.68 3ns1 h LYS 1105CO 0.17 0.40 -0.07 0.87 -2.27 0.00 0.00 179.45 178.54 3ns1 h LYS 1106N 0.62 0.77 0.00 1.90 1.57 -1.30 -2.58 116.57 117.55 3ns1 h LYS 1106Ca 0.32 -0.24 -0.07 0.00 -1.87 0.00 0.00 60.65 58.79 3ns1 h LYS 1106Cb 0.27 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 3ns1 h LYS 1106CO -0.22 0.82 -0.31 0.87 -0.57 0.00 0.00 179.45 180.03 3ns1 h LYS 1107N 0.70 0.00 -2.03 3.15 1.57 -1.24 -3.36 116.57 115.36 3ns1 h LYS 1107Ca 0.13 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.40 3ns1 h LYS 1107Cb 0.54 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.45 3ns1 h LYS 1107CO 0.03 0.31 -1.12 -1.71 -0.57 0.00 0.00 179.45 176.40 3ns1 n ASN 1108N -3.48 1.17 0.30 0.86 2.85 -0.80 -4.98 115.26 111.18 3ns1 n ASN 1108Ca -0.00 -3.04 0.18 0.00 -0.11 0.00 0.00 54.58 51.60 3ns1 n ASN 1108Cb 0.48 -0.62 0.99 0.00 1.24 0.00 0.00 39.78 41.87 3ns1 n ASN 1108CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3ns1 h PRO 1109N 3.15 0.00 -0.50 1.20 0.13 -1.62 -0.03 132.00 134.34 3ns1 h PRO 1109Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3ns1 h PRO 1109Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 3ns1 h PRO 1109CO 0.53 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.05 3ns1 n ASP 1110N -3.61 4.22 -2.00 1.44 8.00 -1.26 -4.96 116.55 118.38 3ns1 n ASP 1110Ca -0.03 -2.50 0.00 0.00 0.71 0.00 0.00 54.79 52.98 3ns1 n ASP 1110Cb 0.11 -0.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.71 3ns1 n ASP 1110CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ns1 n GLY 1111N 0.61 -0.20 3.63 0.44 0.00 -0.03 -5.14 105.19 104.51 3ns1 n GLY 1111Ca 0.22 -1.81 -0.26 0.00 0.00 0.00 0.00 46.02 44.17 3ns1 n GLY 1111CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ns1 s SER 1112N -1.00 4.07 0.23 1.61 1.04 -1.26 -5.02 113.70 113.36 3ns1 s SER 1112Ca 0.00 -1.14 -0.13 0.00 0.48 0.00 0.00 55.95 55.16 3ns1 s SER 1112Cb 0.00 -0.45 0.28 0.00 0.10 0.00 0.00 66.02 65.94 3ns1 s SER 1112CO 0.00 -0.34 1.60 -0.25 0.98 0.00 0.00 173.24 175.23 3ns1 h TRP 1113N 1.77 -0.46 -0.76 5.02 2.91 -2.00 0.56 115.95 122.98 3ns1 h TRP 1113Ca -0.43 0.07 0.10 0.00 1.13 0.00 0.00 58.89 59.76 3ns1 h TRP 1113Cb 1.25 0.32 -0.05 0.00 -0.51 0.00 0.00 29.16 30.16 3ns1 h TRP 1113CO 0.71 -0.33 0.50 0.93 -1.03 0.00 0.00 178.44 179.22 3ns1 h GLU 1114N -0.02 0.64 -0.24 2.65 3.07 -1.92 -1.90 114.58 116.85 3ns1 h GLU 1114Ca 0.34 -0.04 -0.04 0.00 -0.50 0.00 0.00 59.36 59.12 3ns1 h GLU 1114Cb 0.54 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.30 3ns1 h GLU 1114CO -0.75 0.42 -0.00 -0.44 -1.40 0.00 0.00 179.01 176.84 3ns1 h ASP 1115N 0.66 0.43 -0.38 1.42 3.32 -1.29 -2.78 116.42 117.79 3ns1 h ASP 1115Ca 0.35 -0.31 -0.09 0.00 0.02 0.00 0.00 57.03 57.00 3ns1 h ASP 1115Cb 0.48 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 3ns1 h ASP 1115CO -0.13 0.63 -0.11 -0.50 -1.72 0.00 0.00 179.24 177.41 3ns1 h TRP 1116N 0.21 0.85 -0.23 4.55 6.55 -1.00 -1.12 115.95 125.75 3ns1 h TRP 1116Ca 0.07 -0.19 0.03 0.00 0.95 0.00 0.00 58.89 59.75 3ns1 h TRP 1116Cb 0.42 -0.20 -0.03 0.00 -0.86 0.00 0.00 29.16 28.48 3ns1 h TRP 1116CO 0.04 0.90 0.04 0.28 -1.05 0.00 0.00 178.44 178.65 3ns1 h VAL 1117N 0.55 0.89 -0.24 1.49 2.07 -1.48 -0.24 116.25 119.29 3ns1 h VAL 1117Ca 0.09 -0.04 -0.12 0.00 0.82 0.00 0.00 66.70 67.45 3ns1 h VAL 1117Cb 0.64 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 3ns1 h VAL 1117CO 0.04 0.02 -0.35 -0.03 0.02 0.00 0.00 177.57 177.27 3ns1 h MET 1118N 0.13 0.51 -0.41 1.57 1.85 -1.33 -1.33 114.93 115.93 3ns1 h MET 1118Ca 0.11 -0.24 -0.13 0.00 -0.61 0.00 0.00 59.70 58.83 3ns1 h MET 1118Cb 0.11 -0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.12 3ns1 h MET 1118CO -0.14 0.80 -0.25 0.00 -0.40 0.00 0.00 176.91 176.91 3ns1 h ALA 1119N 1.19 0.58 -0.89 0.39 0.00 -1.03 -1.63 119.26 117.87 3ns1 h ALA 1119Ca 0.05 -0.40 0.08 0.00 0.00 0.00 0.00 54.91 54.64 3ns1 h ALA 1119Cb 0.82 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.40 3ns1 h ALA 1119CO 0.07 0.59 0.55 0.00 0.00 0.00 0.00 179.25 180.45 3ns1 h ALA 1120N 0.81 1.26 -0.23 0.00 0.00 -0.94 -1.85 119.26 118.31 3ns1 h ALA 1120Ca 0.08 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3ns1 h ALA 1120Cb 0.82 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3ns1 h ALA 1120CO 0.07 0.24 0.00 -0.92 0.00 0.00 0.00 179.25 178.64 3ns1 h TYR 1121N 0.95 0.45 0.00 0.00 3.20 -1.15 -1.76 116.97 118.66 3ns1 h TYR 1121Ca 0.41 -0.08 0.00 0.00 3.14 0.00 0.00 58.73 62.20 3ns1 h TYR 1121Cb 0.28 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.43 3ns1 h TYR 1121CO -0.03 0.58 0.00 1.96 -1.64 0.00 0.00 178.16 179.03 3ns1 h GLN 1122N 0.18 0.00 -0.60 1.82 4.20 -1.13 -2.55 115.11 117.03 3ns1 h GLN 1122Ca 0.07 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.78 3ns1 h GLN 1122Cb 0.40 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.18 3ns1 h GLN 1122CO 0.01 0.00 0.00 -3.47 -0.67 0.00 0.00 178.83 174.70 3ns1 n ASP 1123N -2.56 4.62 -3.73 1.46 2.03 -0.71 -4.97 116.55 112.70 3ns1 n ASP 1123Ca 0.01 -2.48 -0.23 0.00 0.52 0.00 0.00 54.79 52.61 3ns1 n ASP 1123Cb 0.21 -0.56 0.04 0.00 -0.72 0.00 0.00 41.12 40.09 3ns1 n ASP 1123CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3ns1 n ARG 1124N 0.95 -5.29 -3.92 -0.67 1.74 -0.96 -5.01 116.66 103.50 3ns1 n ARG 1124Ca 0.25 0.64 -0.35 0.00 -0.77 0.00 0.00 57.85 57.61 3ns1 n ARG 1124Cb 0.87 -5.32 -0.11 0.00 -1.02 0.00 0.00 32.46 26.88 3ns1 n ARG 1124CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3ns1 s VAL 1125N -3.56 4.61 0.32 1.55 1.01 -0.68 -5.06 120.40 118.59 3ns1 s VAL 1125Ca 0.17 -0.09 -0.29 0.00 0.00 0.00 0.00 61.98 61.78 3ns1 s VAL 1125Cb -0.08 -3.11 -0.10 0.00 0.00 0.00 0.00 36.38 33.08 3ns1 s VAL 1125CO 0.81 0.40 1.34 -0.55 0.00 0.00 0.00 175.10 177.10 3ns1 s SER 1126N 0.90 6.73 -0.32 3.32 0.15 -1.26 -4.35 113.70 118.86 3ns1 s SER 1126Ca 0.04 2.70 0.07 0.00 0.70 0.00 0.00 55.95 59.46 3ns1 s SER 1126Cb -0.14 -2.65 0.46 0.00 -1.71 0.00 0.00 66.02 61.99 3ns1 s SER 1126CO 0.03 -0.58 1.34 0.18 1.20 0.00 0.00 173.24 175.40 3ns1 n LEU 1127N 1.06 4.74 -3.93 3.45 4.77 -1.26 -4.98 117.00 120.86 3ns1 n LEU 1127Ca 0.01 -4.40 -0.17 0.00 -0.03 0.00 0.00 56.01 51.42 3ns1 n LEU 1127Cb 0.41 -0.50 -0.15 0.00 -2.33 0.00 0.00 43.42 40.86 3ns1 n LEU 1127CO 0.60 1.78 -0.40 -0.55 -1.33 0.00 0.00 177.39 177.48 3ns1 s SER 1128N -3.16 0.69 -0.13 -1.43 0.15 -1.26 -1.84 113.70 106.72 3ns1 s SER 1128Ca 0.49 -0.10 -0.29 0.00 0.70 0.00 0.00 55.95 56.76 3ns1 s SER 1128Cb 0.41 -0.19 0.07 0.00 -1.71 0.00 0.00 66.02 64.61 3ns1 s SER 1128CO 0.01 0.02 0.71 0.28 1.20 0.00 0.00 173.24 175.45 3ns1 s THR 1129N 0.27 0.00 1.11 6.45 -1.32 -0.88 -5.03 115.64 116.24 3ns1 s THR 1129Ca -0.03 0.00 -0.18 0.00 -1.21 0.00 0.00 61.69 60.27 3ns1 s THR 1129Cb -0.07 -1.00 0.26 0.00 -1.51 0.00 0.00 72.50 70.18 3ns1 s THR 1129CO -0.00 0.00 1.21 0.42 -2.21 0.00 0.00 174.62 174.04 3ns1 s THR 1130N -0.64 1.76 -0.21 5.08 -4.23 -1.26 -1.90 115.64 114.25 3ns1 s THR 1130Ca -0.07 0.00 -0.28 0.00 -1.18 0.00 0.00 61.69 60.16 3ns1 s THR 1130Cb -0.02 -2.72 0.12 0.00 1.34 0.00 0.00 72.50 71.22 3ns1 s THR 1130CO 0.07 0.00 0.99 -0.83 -0.54 0.00 0.00 174.62 174.30 3ns1 s GLY 1131N -4.39 -0.24 -0.07 3.99 0.00 -0.83 -4.35 107.32 101.42 3ns1 s GLY 1131Ca 0.73 2.25 -0.15 0.00 0.00 0.00 0.00 44.72 47.56 3ns1 s GLY 1131CO 0.55 1.38 0.35 -0.12 0.00 0.00 0.00 173.10 175.25 3ns1 s PHE 1132N -0.52 -0.29 -0.00 1.90 5.36 -1.26 -1.17 117.98 121.99 3ns1 s PHE 1132Ca -0.00 0.60 -0.09 0.00 -0.96 0.00 0.00 56.93 56.48 3ns1 s PHE 1132Cb -0.02 0.13 0.01 0.00 -0.34 0.00 0.00 43.02 42.79 3ns1 s PHE 1132CO -0.01 -0.32 0.17 -0.47 -1.46 0.00 0.00 175.22 173.13 3ns1 s TYR 1133N -0.69 -0.01 -0.12 10.12 5.04 -0.29 -4.71 117.35 126.69 3ns1 s TYR 1133Ca -0.08 -0.03 -0.04 0.00 -2.44 0.00 0.00 57.07 54.49 3ns1 s TYR 1133Cb -0.04 -0.02 0.06 0.00 0.35 0.00 0.00 41.96 42.31 3ns1 s TYR 1133CO 0.03 -0.29 0.16 0.50 -1.34 0.00 0.00 175.55 174.61 3ns1 s ARG 1134N -1.29 0.06 0.17 4.97 3.52 -1.26 -1.35 118.95 123.77 3ns1 s ARG 1134Ca -0.14 0.42 -0.31 0.00 -0.13 0.00 0.00 55.73 55.58 3ns1 s ARG 1134Cb -0.07 -0.62 -0.09 0.00 -1.56 0.00 0.00 34.95 32.61 3ns1 s ARG 1134CO 0.02 -0.41 1.42 0.99 -0.81 0.00 0.00 175.30 176.50 3ns1 s THR 1135N 2.28 3.03 0.42 4.11 2.01 -0.99 -4.99 115.64 121.52 3ns1 s THR 1135Ca 0.04 0.78 -0.16 0.00 0.31 0.00 0.00 61.69 62.66 3ns1 s THR 1135Cb -0.13 -3.50 -0.08 0.00 0.01 0.00 0.00 72.50 68.79 3ns1 s THR 1135CO -0.07 0.09 0.87 -2.16 -0.69 0.00 0.00 174.62 172.65 3ns1 s PRO 1136N 0.55 3.98 -1.41 4.92 0.04 -1.26 -4.47 135.00 137.34 3ns1 s PRO 1136Ca 0.63 0.80 -0.06 0.00 0.04 0.00 0.00 61.00 62.41 3ns1 s PRO 1136Cb -0.39 -2.28 0.01 0.00 0.04 0.00 0.00 34.50 31.88 3ns1 s PRO 1136CO 0.35 -0.06 0.73 0.09 0.04 0.00 0.00 177.00 178.15 3ns1 n ASN 1137N -1.04 -5.96 -4.73 6.66 3.02 -1.26 -5.00 115.26 106.96 3ns1 n ASN 1137Ca 0.05 -0.34 -0.35 0.00 -0.03 0.00 0.00 54.58 53.91 3ns1 n ASN 1137Cb 0.54 -4.72 -0.09 0.00 -0.61 0.00 0.00 39.78 34.90 3ns1 n ASN 1137CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3ns1 s LEU 1138N -6.49 3.75 0.00 3.41 1.43 -1.26 -4.41 118.68 115.11 3ns1 s LEU 1138Ca 0.36 0.19 0.00 0.00 -1.03 0.00 0.00 54.13 53.66 3ns1 s LEU 1138Cb -0.16 -1.92 0.00 0.00 0.03 0.00 0.00 46.19 44.14 3ns1 s LEU 1138CO 0.45 0.37 0.00 0.61 0.23 0.00 0.00 176.35 178.01 3ns1 n GLY 1139N 1.97 -1.29 3.76 -3.19 0.00 0.13 -4.95 105.19 101.62 3ns1 n GLY 1139Ca -0.18 0.52 -0.39 0.00 0.00 0.00 0.00 46.02 45.97 3ns1 n GLY 1139CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3ns1 s TYR 1140N 0.00 3.90 -0.13 1.61 5.04 -0.91 -4.36 117.35 122.50 3ns1 s TYR 1140Ca 0.00 1.87 -0.01 0.00 -2.44 0.00 0.00 57.07 56.49 3ns1 s TYR 1140Cb 0.00 -2.95 -0.02 0.00 0.35 0.00 0.00 41.96 39.34 3ns1 s TYR 1140CO 0.00 0.39 -0.10 0.45 -1.34 0.00 0.00 175.55 174.96 3ns1 s SER 1141N -1.30 4.32 0.20 4.32 0.15 0.78 -4.99 113.70 117.18 3ns1 s SER 1141Ca 0.43 -0.23 0.21 0.00 0.70 0.00 0.00 55.95 57.06 3ns1 s SER 1141Cb -0.24 -1.60 0.90 0.00 -1.71 0.00 0.00 66.02 63.37 3ns1 s SER 1141CO 0.29 0.19 1.65 0.49 1.20 0.00 0.00 173.24 177.07 3ns1 n PHE 1142N 3.37 0.63 -4.24 3.44 3.01 -1.26 -2.62 117.46 119.79 3ns1 n PHE 1142Ca -0.18 0.25 -0.25 0.00 1.01 0.00 0.00 57.45 58.28 3ns1 n PHE 1142Cb 0.53 -0.90 -0.07 0.00 -0.01 0.00 0.00 39.48 39.02 3ns1 n PHE 1142CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3ns1 s GLU 1143N -3.25 2.36 0.00 -1.08 8.01 -1.26 -4.42 118.70 119.06 3ns1 s GLU 1143Ca 0.05 -1.23 0.00 0.00 0.01 0.00 0.00 54.97 53.80 3ns1 s GLU 1143Cb 0.09 -2.28 0.00 0.00 -4.31 0.00 0.00 34.13 27.63 3ns1 s GLU 1143CO 0.36 0.42 0.00 0.25 0.01 0.00 0.00 175.26 176.30 3ns1 n THR 1144N -0.43 0.00 -3.73 3.63 -2.24 -1.26 -4.38 114.28 105.86 3ns1 n THR 1144Ca -0.09 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.46 3ns1 n THR 1144Cb 0.57 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.82 3ns1 n THR 1144CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3ns1 n ASN 1145N 0.80 -2.06 -2.63 3.42 5.15 -1.08 -4.99 115.26 113.88 3ns1 n ASN 1145Ca 0.00 -0.89 -0.09 0.00 -0.60 0.00 0.00 54.58 52.99 3ns1 n ASN 1145Cb 0.00 -3.77 0.01 0.00 -0.53 0.00 0.00 39.78 35.49 3ns1 n ASN 1145CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 3ns1 n SER 1146N -2.98 -1.79 -0.35 1.20 3.41 -1.20 -4.54 113.62 107.37 3ns1 n SER 1146Ca -0.25 -2.48 0.00 0.00 -0.26 0.00 0.00 58.87 55.87 3ns1 n SER 1146Cb 0.66 3.05 0.00 0.00 -0.26 0.00 0.00 64.21 67.66 3ns1 n SER 1146CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ns1 n GLY 1147N -0.48 -3.26 3.72 5.00 0.00 -1.26 -0.16 105.19 108.75 3ns1 n GLY 1147Ca -0.05 -1.11 -0.42 0.00 0.00 0.00 0.00 46.02 44.43 3ns1 n GLY 1147CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ns1 s ASN 1148N -2.74 6.40 0.06 1.61 0.01 -1.26 -3.97 114.94 115.05 3ns1 s ASN 1148Ca 0.00 2.85 0.21 0.00 -0.71 0.00 0.00 52.86 55.21 3ns1 s ASN 1148Cb 0.00 -2.60 -0.16 0.00 0.41 0.00 0.00 41.25 38.90 3ns1 s ASN 1148CO 0.00 -0.96 0.73 0.00 -1.51 0.00 0.00 177.10 175.36 3ns1 n ALA 1149N 3.87 2.41 -2.43 0.60 0.00 -1.26 0.19 120.51 123.89 3ns1 n ALA 1149Ca 0.15 -0.48 -0.16 0.00 0.00 0.00 0.00 53.44 52.95 3ns1 n ALA 1149Cb 0.36 -0.88 -0.11 0.00 0.00 0.00 0.00 19.45 18.82 3ns1 n ALA 1149CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3ns1 s PHE 1150N -3.25 1.25 0.07 0.00 0.40 -1.26 -4.75 117.98 110.43 3ns1 s PHE 1150Ca -0.04 -0.64 0.05 0.00 -0.60 0.00 0.00 56.93 55.70 3ns1 s PHE 1150Cb 0.11 -0.66 -0.24 0.00 0.51 0.00 0.00 43.02 42.74 3ns1 s PHE 1150CO 0.84 0.08 1.09 1.25 0.70 0.00 0.00 175.22 179.18 3ns1 h HIS 1151N 3.35 0.15 -1.89 0.36 -0.00 -1.53 -3.48 115.15 112.11 3ns1 h HIS 1151Ca -0.38 -0.11 0.34 0.00 -0.00 0.00 0.00 60.37 60.22 3ns1 h HIS 1151Cb 1.19 -0.01 -0.08 0.00 -0.00 0.00 0.00 27.41 28.51 3ns1 h HIS 1151CO 0.65 1.10 0.89 1.52 -0.00 0.00 0.00 177.93 182.09 3ns1 s TYR 1152N -2.67 0.01 0.09 5.26 -0.85 -1.26 -5.04 117.35 112.88 3ns1 s TYR 1152Ca -0.02 -0.12 0.09 0.00 -0.52 0.00 0.00 57.07 56.50 3ns1 s TYR 1152Cb 0.09 0.55 -0.03 0.00 0.38 0.00 0.00 41.96 42.95 3ns1 s TYR 1152CO 0.84 -0.26 -0.23 -0.06 -1.52 0.00 0.00 175.55 174.32 3ns1 s PHE 1153N -2.13 1.98 -0.08 -3.49 0.40 -1.26 -1.44 117.98 111.96 3ns1 s PHE 1153Ca 0.25 -0.40 -0.02 0.00 -0.60 0.00 0.00 56.93 56.16 3ns1 s PHE 1153Cb 0.01 -1.12 -0.03 0.00 0.51 0.00 0.00 43.02 42.39 3ns1 s PHE 1153CO -0.02 0.20 -0.00 0.99 0.70 0.00 0.00 175.22 177.09 3ns1 s THR 1154N -1.01 4.26 0.13 0.64 2.01 -0.43 -4.93 115.64 116.31 3ns1 s THR 1154Ca 0.09 -0.27 0.06 0.00 0.31 0.00 0.00 61.69 61.89 3ns1 s THR 1154Cb -0.10 -2.79 -0.04 0.00 0.01 0.00 0.00 72.50 69.59 3ns1 s THR 1154CO 0.04 0.60 -0.15 -0.31 -0.69 0.00 0.00 174.62 174.12 3ns1 s TYR 1155N -0.86 1.47 0.19 4.92 1.51 -1.25 -1.53 117.35 121.79 3ns1 s TYR 1155Ca 0.13 -0.55 -0.22 0.00 -1.01 0.00 0.00 57.07 55.42 3ns1 s TYR 1155Cb -0.11 -0.76 0.07 0.00 -0.11 0.00 0.00 41.96 41.05 3ns1 s TYR 1155CO 0.02 0.17 1.02 0.20 -1.11 0.00 0.00 175.55 175.86 3ns1 s GLY 1156N -2.52 0.07 -0.10 0.71 0.00 -0.83 -0.81 107.32 103.84 3ns1 s GLY 1156Ca 0.10 -0.28 -0.05 0.00 0.00 0.00 0.00 44.72 44.49 3ns1 s GLY 1156CO 0.04 2.01 0.23 0.14 0.00 0.00 0.00 173.10 175.51 3ns1 s VAL 1157N -2.32 -0.03 0.04 1.40 1.01 -0.30 -1.12 120.40 119.08 3ns1 s VAL 1157Ca 0.20 0.13 0.06 0.00 0.00 0.00 0.00 61.98 62.37 3ns1 s VAL 1157Cb -0.02 -0.35 -0.02 0.00 0.00 0.00 0.00 36.38 35.98 3ns1 s VAL 1157CO 0.05 0.05 -0.16 0.00 0.00 0.00 0.00 175.10 175.04 3ns1 s ALA 1158N 1.07 1.36 -0.07 5.51 0.00 -0.08 -1.49 121.76 128.05 3ns1 s ALA 1158Ca -0.08 -0.91 0.03 0.00 0.00 0.00 0.00 51.96 51.00 3ns1 s ALA 1158Cb -0.09 -0.23 0.01 0.00 0.00 0.00 0.00 23.12 22.81 3ns1 s ALA 1158CO -0.07 0.27 -0.16 0.00 0.00 0.00 0.00 175.76 175.81 3ns1 s SER 1160N 0.49 0.77 -0.03 0.00 0.01 -0.80 -0.70 113.70 113.44 3ns1 s SER 1160Ca -0.14 -0.61 0.03 0.00 1.31 0.00 0.00 55.95 56.54 3ns1 s SER 1160Cb -0.16 0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.13 3ns1 s SER 1160CO 0.05 -0.26 -0.12 -0.70 0.41 0.00 0.00 173.24 172.61 3ns1 s GLU 1161N -1.90 1.25 0.11 12.44 2.12 0.13 -2.02 118.70 130.84 3ns1 s GLU 1161Ca -0.08 -0.42 0.02 0.00 0.36 0.00 0.00 54.97 54.85 3ns1 s GLU 1161Cb -0.08 -1.13 -0.04 0.00 0.26 0.00 0.00 34.13 33.14 3ns1 s GLU 1161CO -0.01 0.17 -0.07 0.14 -0.54 0.00 0.00 175.26 174.95 3ns1 s VAL 1162N 0.11 0.78 -0.10 3.70 -7.23 -0.94 -1.02 120.40 115.70 3ns1 s VAL 1162Ca -0.03 -1.96 0.03 0.00 -1.81 0.00 0.00 61.98 58.21 3ns1 s VAL 1162Cb -0.09 -1.73 0.01 0.00 0.56 0.00 0.00 36.38 35.13 3ns1 s VAL 1162CO 0.01 -0.84 -0.18 -0.70 -0.31 0.00 0.00 175.10 173.08 3ns1 s GLU 1163N -3.82 2.43 0.04 4.82 2.12 -0.08 -1.91 118.70 122.29 3ns1 s GLU 1163Ca 0.13 -0.65 -0.01 0.00 0.36 0.00 0.00 54.97 54.80 3ns1 s GLU 1163Cb 0.05 -1.96 -0.04 0.00 0.26 0.00 0.00 34.13 32.44 3ns1 s GLU 1163CO -0.04 0.03 0.19 0.96 -0.54 0.00 0.00 175.26 175.86 3ns1 s ILE 1164N 0.71 5.30 -0.49 -3.70 -4.36 0.81 -0.32 121.20 119.16 3ns1 s ILE 1164Ca -0.12 -0.36 -0.18 0.00 -0.26 0.00 0.00 60.65 59.73 3ns1 s ILE 1164Cb -0.16 -3.55 0.06 0.00 1.25 0.00 0.00 42.46 40.06 3ns1 s ILE 1164CO 0.03 0.20 0.56 -0.62 0.24 0.00 0.00 174.94 175.34 3ns1 s ASP 1165N -2.30 6.21 0.57 4.36 -1.08 0.12 -2.36 116.67 122.19 3ns1 s ASP 1165Ca 0.32 -0.96 0.37 0.00 -0.52 0.00 0.00 52.55 51.76 3ns1 s ASP 1165Cb -0.13 -2.26 1.86 0.00 -1.46 0.00 0.00 42.92 40.93 3ns1 s ASP 1165CO 0.24 -0.80 2.13 0.00 0.52 0.00 0.00 175.17 177.26 3ns1 n LEU 1167N -2.94 0.76 0.00 0.00 4.77 -1.26 -4.57 117.00 113.76 3ns1 n LEU 1167Ca -0.01 -0.28 0.00 0.00 -0.03 0.00 0.00 56.01 55.69 3ns1 n LEU 1167Cb 0.16 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 3ns1 n LEU 1167CO 0.21 0.17 -0.36 0.35 -1.33 0.00 0.00 177.39 176.43 3ns1 n THR 1168N -1.63 0.00 0.00 -5.08 -2.24 -0.73 -5.03 114.28 99.58 3ns1 n THR 1168Ca 0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 3ns1 n THR 1168Cb 0.36 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 3ns1 n THR 1168CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ns1 n GLY 1169N 2.04 0.28 3.75 3.38 0.00 0.15 -4.78 105.19 110.01 3ns1 n GLY 1169Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3ns1 n GLY 1169CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ns1 s ASP 1170N -2.18 4.90 0.09 1.61 1.01 -1.25 -4.27 116.67 116.58 3ns1 s ASP 1170Ca 0.00 2.20 -0.07 0.00 0.71 0.00 0.00 52.55 55.39 3ns1 s ASP 1170Cb 0.00 -2.58 -0.01 0.00 1.01 0.00 0.00 42.92 41.34 3ns1 s ASP 1170CO 0.00 -1.78 0.16 -1.38 0.21 0.00 0.00 175.17 172.38 3ns1 s HIS 1171N -2.02 0.27 -0.02 4.23 -3.43 -1.26 0.15 115.29 113.20 3ns1 s HIS 1171Ca 0.72 -0.71 0.07 0.00 -0.80 0.00 0.00 55.06 54.34 3ns1 s HIS 1171Cb -0.25 -0.13 -0.02 0.00 -1.43 0.00 0.00 32.58 30.75 3ns1 s HIS 1171CO 0.39 -0.54 -0.24 0.15 -2.00 0.00 0.00 174.74 172.51 3ns1 s LYS 1172N -3.89 1.94 -0.56 -0.38 1.02 0.57 -4.97 119.74 113.46 3ns1 s LYS 1172Ca 0.07 -0.85 -0.19 0.00 0.02 0.00 0.00 55.97 55.02 3ns1 s LYS 1172Cb 0.05 -1.87 0.09 0.00 -0.52 0.00 0.00 37.83 35.58 3ns1 s LYS 1172CO -0.09 0.51 0.68 -0.80 -0.92 0.00 0.00 175.35 174.73 3ns1 s ASN 1173N -0.55 6.19 0.01 2.83 0.01 -1.26 -0.90 114.94 121.27 3ns1 s ASN 1173Ca 0.09 -1.26 -0.18 0.00 -0.71 0.00 0.00 52.86 50.80 3ns1 s ASN 1173Cb -0.09 -2.30 -0.30 0.00 0.41 0.00 0.00 41.25 38.97 3ns1 s ASN 1173CO -0.01 -1.04 1.02 -0.07 -1.51 0.00 0.00 177.10 175.48 3ns1 h LEU 1174N 9.90 0.68 -7.00 0.60 3.38 -1.43 -0.87 115.31 120.57 3ns1 h LEU 1174Ca -0.29 -0.87 0.03 0.00 0.09 0.00 0.00 57.88 56.84 3ns1 h LEU 1174Cb 1.09 -0.22 -0.23 0.00 0.09 0.00 0.00 40.66 41.39 3ns1 h LEU 1174CO 1.06 1.49 0.40 -0.60 0.09 0.00 0.00 178.44 180.87 3ns1 s ARG 1175N -2.78 0.69 -0.01 1.13 3.52 -1.18 -2.19 118.95 118.13 3ns1 s ARG 1175Ca -0.11 0.40 0.00 0.00 -0.13 0.00 0.00 55.73 55.89 3ns1 s ARG 1175Cb 0.03 0.33 0.01 0.00 -1.56 0.00 0.00 34.95 33.77 3ns1 s ARG 1175CO 0.88 -0.17 0.01 0.99 -0.81 0.00 0.00 175.30 176.21 3ns1 s THR 1176N -0.56 -0.01 -0.06 4.11 2.01 -0.06 -0.69 115.64 120.38 3ns1 s THR 1176Ca -0.02 0.09 0.05 0.00 0.31 0.00 0.00 61.69 62.12 3ns1 s THR 1176Cb -0.02 -0.06 -0.00 0.00 0.01 0.00 0.00 72.50 72.43 3ns1 s THR 1176CO 0.01 0.05 -0.20 -1.81 -0.69 0.00 0.00 174.62 171.97 3ns1 s ASP 1177N 0.51 2.60 -0.07 3.53 1.01 0.12 -1.49 116.67 122.88 3ns1 s ASP 1177Ca -0.04 -0.44 0.03 0.00 0.71 0.00 0.00 52.55 52.80 3ns1 s ASP 1177Cb -0.06 -0.89 0.01 0.00 1.01 0.00 0.00 42.92 42.99 3ns1 s ASP 1177CO -0.01 0.17 -0.14 -0.63 0.21 0.00 0.00 175.17 174.76 3ns1 s ILE 1178N 0.13 1.28 -0.20 0.77 1.01 0.38 -0.79 121.20 123.78 3ns1 s ILE 1178Ca -0.09 -0.57 -0.03 0.00 0.00 0.00 0.00 60.65 59.97 3ns1 s ILE 1178Cb -0.14 -1.15 -0.01 0.00 0.01 0.00 0.00 42.46 41.17 3ns1 s ILE 1178CO 0.04 0.39 -0.07 -0.69 0.00 0.00 0.00 174.94 174.61 3ns1 s VAL 1179N 0.59 3.21 -0.02 2.92 1.01 -0.55 -0.97 120.40 126.60 3ns1 s VAL 1179Ca -0.15 -0.55 0.07 0.00 0.00 0.00 0.00 61.98 61.35 3ns1 s VAL 1179Cb -0.16 -2.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.76 3ns1 s VAL 1179CO 0.04 0.45 -0.23 -0.32 0.00 0.00 0.00 175.10 175.05 3ns1 s MET 1180N 1.29 1.90 -0.40 2.72 0.00 -0.66 -1.15 119.30 123.00 3ns1 s MET 1180Ca 0.03 -0.82 -0.14 0.00 0.00 0.00 0.00 55.69 54.77 3ns1 s MET 1180Cb -0.14 -1.81 0.03 0.00 0.00 0.00 0.00 34.83 32.90 3ns1 s MET 1180CO -0.03 0.48 0.28 0.34 0.00 0.00 0.00 175.02 176.09 3ns1 s ASP 1181N -0.50 5.99 -0.22 1.11 2.15 0.01 -0.82 116.67 124.39 3ns1 s ASP 1181Ca 0.08 -0.97 0.11 0.00 0.43 0.00 0.00 52.55 52.19 3ns1 s ASP 1181Cb -0.09 -2.12 0.43 0.00 -0.30 0.00 0.00 42.92 40.84 3ns1 s ASP 1181CO -0.01 -0.45 1.24 1.33 -0.17 0.00 0.00 175.17 177.12 3ns1 n VAL 1182N 5.11 2.24 -2.00 1.11 0.24 -1.26 -3.97 118.33 119.80 3ns1 n VAL 1182Ca -0.11 -3.22 0.00 0.00 -2.04 0.00 0.00 64.34 58.97 3ns1 n VAL 1182Cb 0.46 -0.25 0.00 0.00 -1.47 0.00 0.00 33.84 32.58 3ns1 n VAL 1182CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ns1 n GLY 1183N -1.12 1.27 3.54 7.63 0.00 -1.26 -2.50 105.19 112.75 3ns1 n GLY 1183Ca 0.20 -0.50 -0.43 0.00 0.00 0.00 0.00 46.02 45.30 3ns1 n GLY 1183CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ns1 s SER 1184N -4.00 6.35 0.27 1.61 0.01 -0.86 -4.81 113.70 112.27 3ns1 s SER 1184Ca 0.00 -0.25 -0.30 0.00 1.31 0.00 0.00 55.95 56.70 3ns1 s SER 1184Cb 0.00 -2.48 -0.13 0.00 0.21 0.00 0.00 66.02 63.62 3ns1 s SER 1184CO 0.00 -1.37 1.40 -0.24 0.41 0.00 0.00 173.24 173.44 3ns1 n SER 1185N 7.93 2.89 0.22 2.44 2.88 -1.25 -3.14 113.62 125.58 3ns1 n SER 1185Ca 0.04 1.16 0.11 0.00 -1.33 0.00 0.00 58.87 58.84 3ns1 n SER 1185Cb 0.48 -1.46 0.34 0.00 -0.75 0.00 0.00 64.21 62.82 3ns1 n SER 1185CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 3ns1 h LEU 1186N 3.89 0.00 -6.00 2.46 3.38 -1.92 -3.30 115.31 113.81 3ns1 h LEU 1186Ca -0.45 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.49 3ns1 h LEU 1186Cb 1.27 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.82 3ns1 h LEU 1186CO 0.73 0.17 -0.42 0.21 0.09 0.00 0.00 178.44 179.21 3ns1 s ASN 1187N -6.14 -1.57 0.42 -0.43 3.84 -1.26 -1.00 114.94 108.79 3ns1 s ASN 1187Ca 0.03 -0.43 0.19 0.00 0.21 0.00 0.00 52.86 52.86 3ns1 s ASN 1187Cb 0.08 1.99 1.12 0.00 -0.55 0.00 0.00 41.25 43.89 3ns1 s ASN 1187CO 0.65 -0.22 1.82 -0.65 -2.79 0.00 0.00 177.10 175.91 3ns1 h PRO 1188N 7.36 0.37 -0.22 0.43 0.11 -1.80 -0.80 132.00 137.44 3ns1 h PRO 1188Ca 0.03 -0.02 -0.18 0.00 0.11 0.00 0.00 66.00 65.94 3ns1 h PRO 1188Cb 1.18 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3ns1 h PRO 1188CO 0.12 0.24 -0.55 0.00 -0.21 0.00 0.00 178.00 177.60 3ns1 h ALA 1189N 1.60 0.37 -0.46 -0.75 0.00 -1.88 0.16 119.26 118.30 3ns1 h ALA 1189Ca 0.53 -0.52 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 3ns1 h ALA 1189Cb 1.39 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 3ns1 h ALA 1189CO -0.22 0.59 0.03 0.82 0.00 0.00 0.00 179.25 180.46 3ns1 h ILE 1190N 0.51 1.26 -0.32 0.00 1.08 -1.71 -2.31 117.51 116.01 3ns1 h ILE 1190Ca -0.01 -1.01 -0.09 0.00 -0.39 0.00 0.00 64.86 63.37 3ns1 h ILE 1190Cb 1.17 1.00 -0.01 0.00 -3.07 0.00 0.00 36.82 35.91 3ns1 h ILE 1190CO 0.12 0.35 -0.15 0.44 -0.69 0.00 0.00 178.15 178.21 3ns1 h ASP 1191N 0.65 0.70 -0.70 1.72 3.32 -0.89 0.18 116.42 121.40 3ns1 h ASP 1191Ca 0.13 -0.41 -0.05 0.00 0.02 0.00 0.00 57.03 56.73 3ns1 h ASP 1191Cb 0.46 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.79 3ns1 h ASP 1191CO 0.02 0.95 0.26 0.40 -1.72 0.00 0.00 179.24 179.15 3ns1 h ILE 1192N 0.45 1.25 -0.87 0.35 2.04 -0.75 -0.56 117.51 119.40 3ns1 h ILE 1192Ca 0.07 -0.80 0.03 0.00 1.00 0.00 0.00 64.86 65.16 3ns1 h ILE 1192Cb 0.69 0.41 -0.05 0.00 -0.74 0.00 0.00 36.82 37.13 3ns1 h ILE 1192CO 0.05 0.32 0.57 1.23 0.00 0.00 0.00 178.15 180.32 3ns1 h GLY 1193N 1.10 1.24 1.75 5.37 0.00 -0.93 -1.54 103.07 110.05 3ns1 h GLY 1193Ca 0.24 -0.44 -0.15 0.00 0.00 0.00 0.00 47.33 46.98 3ns1 h GLY 1193CO -0.02 0.39 -0.62 1.46 0.00 0.00 0.00 176.54 177.75 3ns1 h GLN 1194N 1.11 0.26 -0.40 4.80 1.08 0.44 -2.36 115.11 120.04 3ns1 h GLN 1194Ca 0.34 -0.18 -0.06 0.00 -1.45 0.00 0.00 58.65 57.30 3ns1 h GLN 1194Cb -0.01 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.43 3ns1 h GLN 1194CO -0.10 0.80 0.01 0.28 -0.95 0.00 0.00 178.83 178.87 3ns1 h VAL 1195N 0.19 1.26 -0.22 -0.54 2.07 -0.76 -2.15 116.25 116.09 3ns1 h VAL 1195Ca -0.01 -0.98 -0.10 0.00 0.82 0.00 0.00 66.70 66.43 3ns1 h VAL 1195Cb 1.14 1.11 -0.00 0.00 -1.52 0.00 0.00 31.29 32.02 3ns1 h VAL 1195CO 0.10 0.33 -0.25 -0.33 0.02 0.00 0.00 177.57 177.44 3ns1 h GLU 1196N 0.53 0.56 0.39 1.57 5.08 -1.24 -2.03 114.58 119.43 3ns1 h GLU 1196Ca 0.11 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.15 3ns1 h GLU 1196Cb 0.46 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 3ns1 h GLU 1196CO 0.02 0.90 -0.23 0.78 -1.00 0.00 0.00 179.01 179.48 3ns1 h GLY 1197N 0.25 -0.61 0.60 -3.84 0.00 -1.48 -1.49 103.07 96.50 3ns1 h GLY 1197Ca 0.03 0.25 0.02 0.00 0.00 0.00 0.00 47.33 47.63 3ns1 h GLY 1197CO 0.06 -0.23 -0.21 0.00 0.00 0.00 0.00 176.54 176.16 3ns1 h ALA 1198N -0.00 -0.33 -0.55 3.60 0.00 -1.41 -1.66 119.26 118.91 3ns1 h ALA 1198Ca -0.04 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 54.94 3ns1 h ALA 1198Cb 0.48 0.34 -0.07 0.00 0.00 0.00 0.00 17.79 18.54 3ns1 h ALA 1198CO 0.05 -0.73 0.13 0.35 0.00 0.00 0.00 179.25 179.05 3ns1 h PHE 1199N -0.38 0.21 -0.26 0.00 3.57 -1.34 -1.07 116.94 117.68 3ns1 h PHE 1199Ca 0.04 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.51 3ns1 h PHE 1199Cb 0.41 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 3ns1 h PHE 1199CO -0.21 0.00 -0.07 0.28 -2.23 0.00 0.00 178.31 176.08 3ns1 h VAL 1200N 0.27 1.19 -0.26 1.41 2.07 -0.98 0.61 116.25 120.56 3ns1 h VAL 1200Ca 0.28 -0.82 -0.09 0.00 0.82 0.00 0.00 66.70 66.88 3ns1 h VAL 1200Cb 0.38 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 3ns1 h VAL 1200CO -0.35 0.27 -0.24 1.56 0.02 0.00 0.00 177.57 178.83 3ns1 h GLN 1201N 0.39 0.50 -0.28 1.57 4.20 -0.30 -1.51 115.11 119.67 3ns1 h GLN 1201Ca 0.08 -0.19 -0.06 0.00 0.06 0.00 0.00 58.65 58.54 3ns1 h GLN 1201Cb 0.37 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 3ns1 h GLN 1201CO 0.02 0.70 -0.06 0.78 -0.67 0.00 0.00 178.83 179.60 3ns1 h GLY 1202N 1.01 0.59 1.20 3.46 0.00 -0.44 -1.77 103.07 107.13 3ns1 h GLY 1202Ca 0.07 -0.48 0.07 0.00 0.00 0.00 0.00 47.33 46.98 3ns1 h GLY 1202CO 0.05 0.44 0.36 0.17 0.00 0.00 0.00 176.54 177.57 3ns1 h LEU 1203N 0.31 0.40 -0.35 3.11 8.10 -0.73 -1.24 115.31 124.91 3ns1 h LEU 1203Ca 0.07 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 58.05 3ns1 h LEU 1203Cb 0.54 -0.08 -0.02 0.00 -0.44 0.00 0.00 40.66 40.66 3ns1 h LEU 1203CO 0.03 0.26 0.17 1.23 -4.11 0.00 0.00 178.44 176.01 3ns1 h GLY 1204N 0.46 0.55 0.99 0.17 0.00 -1.08 -2.38 103.07 101.77 3ns1 h GLY 1204Ca 0.24 -0.28 0.01 0.00 0.00 0.00 0.00 47.33 47.30 3ns1 h GLY 1204CO -0.07 0.26 0.33 -2.00 0.00 0.00 0.00 176.54 175.07 3ns1 h LEU 1205N 0.43 0.57 -0.23 3.11 5.85 -0.35 -0.12 115.31 124.57 3ns1 h LEU 1205Ca 0.12 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.83 3ns1 h LEU 1205Cb 0.13 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.02 3ns1 h LEU 1205CO -0.01 0.41 -0.36 0.49 -0.34 0.00 0.00 178.44 178.62 3ns1 n PHE 1206N -4.74 0.00 0.00 1.25 0.99 -0.66 -4.33 117.46 109.97 3ns1 n PHE 1206Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.48 3ns1 n PHE 1206Cb 0.03 -0.20 0.00 0.00 -1.00 0.00 0.00 39.48 38.31 3ns1 n PHE 1206CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 3ns1 n THR 1207N -1.10 0.00 -0.12 4.37 -2.24 -0.90 -1.84 114.28 112.46 3ns1 n THR 1207Ca 0.09 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.65 3ns1 n THR 1207Cb 0.34 -0.20 -0.12 0.00 -2.10 0.00 0.00 70.33 68.25 3ns1 n THR 1207CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3ns1 n LEU 1208N -1.88 2.59 -4.73 3.22 4.32 -1.06 -3.50 117.00 115.96 3ns1 n LEU 1208Ca 0.00 0.06 -0.38 0.00 -0.02 0.00 0.00 56.01 55.67 3ns1 n LEU 1208Cb 0.03 -0.91 -0.06 0.00 -1.62 0.00 0.00 43.42 40.87 3ns1 n LEU 1208CO 0.00 0.79 0.24 -1.61 -1.22 0.00 0.00 177.39 175.59 3ns1 s GLU 1209N -2.51 4.35 -0.13 3.23 2.02 -0.08 -4.64 118.70 120.94 3ns1 s GLU 1209Ca -0.35 0.59 -0.06 0.00 0.02 0.00 0.00 54.97 55.18 3ns1 s GLU 1209Cb 0.10 -3.42 0.05 0.00 0.10 0.00 0.00 34.13 30.97 3ns1 s GLU 1209CO 0.58 0.18 0.29 -2.00 0.02 0.00 0.00 175.26 174.33 3ns1 s GLU 1210N 0.50 0.23 -0.13 1.61 2.12 -1.26 -4.70 118.70 117.06 3ns1 s GLU 1210Ca 0.29 0.65 -0.09 0.00 0.36 0.00 0.00 54.97 56.18 3ns1 s GLU 1210Cb -0.16 -0.07 -0.04 0.00 0.26 0.00 0.00 34.13 34.12 3ns1 s GLU 1210CO 0.13 -0.19 0.17 -0.51 -0.54 0.00 0.00 175.26 174.33 3ns1 s LEU 1211N 1.58 4.34 -0.04 2.70 1.43 -1.26 -4.83 118.68 122.60 3ns1 s LEU 1211Ca -0.07 0.46 0.00 0.00 -1.03 0.00 0.00 54.13 53.49 3ns1 s LEU 1211Cb -0.10 -2.15 0.03 0.00 0.03 0.00 0.00 46.19 44.00 3ns1 s LEU 1211CO -0.10 0.32 0.00 -2.28 0.23 0.00 0.00 176.35 174.52 3ns1 s HIS 1212N -0.55 0.37 0.23 0.29 5.65 -1.26 -5.00 115.29 115.02 3ns1 s HIS 1212Ca 0.14 -0.02 0.07 0.00 0.25 0.00 0.00 55.06 55.51 3ns1 s HIS 1212Cb -0.12 -0.49 -0.04 0.00 -1.18 0.00 0.00 32.58 30.75 3ns1 s HIS 1212CO 0.03 -0.17 0.10 0.71 -0.65 0.00 0.00 174.74 174.76 3ns1 s TYR 1213N 1.24 2.96 0.88 3.88 1.51 -1.26 -1.25 117.35 125.31 3ns1 s TYR 1213Ca -0.07 -0.13 -0.12 0.00 -1.01 0.00 0.00 57.07 55.75 3ns1 s TYR 1213Cb -0.13 -1.36 0.12 0.00 -0.11 0.00 0.00 41.96 40.47 3ns1 s TYR 1213CO -0.02 0.55 1.10 -1.54 -1.11 0.00 0.00 175.55 174.53 3ns1 s SER 1214N -3.50 3.68 0.58 2.29 1.04 0.17 -4.89 113.70 113.08 3ns1 s SER 1214Ca 0.31 1.28 0.27 0.00 0.48 0.00 0.00 55.95 58.29 3ns1 s SER 1214Cb -0.08 -1.95 1.72 0.00 0.10 0.00 0.00 66.02 65.81 3ns1 s SER 1214CO 0.22 -2.48 2.23 -0.65 0.98 0.00 0.00 173.24 173.54 3ns1 h PRO 1215N -1.44 0.00 -0.17 4.02 0.11 -2.01 -1.71 132.00 130.80 3ns1 h PRO 1215Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3ns1 h PRO 1215Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3ns1 h PRO 1215CO 0.58 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.76 3ns1 n GLU 1216N -3.97 1.51 -0.73 1.05 4.71 -1.26 -4.91 120.64 117.05 3ns1 n GLU 1216Ca -0.03 -0.79 0.00 0.00 -0.01 0.00 0.00 57.16 56.34 3ns1 n GLU 1216Cb 0.10 -1.27 0.00 0.00 -1.01 0.00 0.00 31.44 29.26 3ns1 n GLU 1216CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3ns1 n GLY 1217N 0.94 0.55 3.69 0.62 0.00 -0.64 -4.42 105.19 105.93 3ns1 n GLY 1217Ca 0.12 -0.80 -0.35 0.00 0.00 0.00 0.00 46.02 44.99 3ns1 n GLY 1217CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ns1 s SER 1218N -2.73 5.71 0.05 1.61 0.15 -1.26 -4.61 113.70 112.62 3ns1 s SER 1218Ca 0.00 0.16 -0.29 0.00 0.70 0.00 0.00 55.95 56.53 3ns1 s SER 1218Cb 0.00 -1.90 -0.05 0.00 -1.71 0.00 0.00 66.02 62.37 3ns1 s SER 1218CO 0.00 0.25 0.92 -0.22 1.20 0.00 0.00 173.24 175.39 3ns1 s LEU 1219N -0.10 4.43 -0.19 3.45 2.96 -1.26 0.46 118.68 128.43 3ns1 s LEU 1219Ca 0.07 1.65 0.12 0.00 -0.22 0.00 0.00 54.13 55.75 3ns1 s LEU 1219Cb -0.12 -3.49 -0.23 0.00 0.50 0.00 0.00 46.19 42.85 3ns1 s LEU 1219CO 0.01 -0.13 0.09 1.41 -1.32 0.00 0.00 176.35 176.41 3ns1 n HIS 1220N 3.29 0.20 -2.98 5.38 8.25 -0.38 -4.86 115.22 124.12 3ns1 n HIS 1220Ca 0.03 0.06 -0.43 0.00 -0.26 0.00 0.00 57.72 57.12 3ns1 n HIS 1220Cb 0.50 -1.03 -0.05 0.00 1.12 0.00 0.00 29.99 30.53 3ns1 n HIS 1220CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3ns1 s THR 1221N -2.52 4.58 -0.01 1.59 -4.23 -1.24 -4.86 115.64 108.95 3ns1 s THR 1221Ca -0.16 -0.28 0.02 0.00 -1.18 0.00 0.00 61.69 60.08 3ns1 s THR 1221Cb 0.07 -4.49 0.02 0.00 1.34 0.00 0.00 72.50 69.44 3ns1 s THR 1221CO 0.77 -1.10 0.79 0.54 -0.54 0.00 0.00 174.62 175.08 3ns1 n ARG 1222N 6.97 0.41 -3.83 3.99 1.74 -1.26 -4.90 116.66 119.78 3ns1 n ARG 1222Ca -0.04 -0.97 -0.07 0.00 -0.77 0.00 0.00 57.85 56.01 3ns1 n ARG 1222Cb 0.46 -0.64 -0.00 0.00 -1.02 0.00 0.00 32.46 31.26 3ns1 n ARG 1222CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3ns1 s GLY 1223N -0.72 0.05 0.50 -0.13 0.00 -1.26 -3.48 107.32 102.27 3ns1 s GLY 1223Ca 0.03 -0.38 0.34 0.00 0.00 0.00 0.00 44.72 44.70 3ns1 s GLY 1223CO 0.00 0.10 2.03 -0.56 0.00 0.00 0.00 173.10 174.67 3ns1 h PRO 1224N 2.00 0.00 -0.00 2.90 0.13 -1.99 -1.07 132.00 133.96 3ns1 h PRO 1224Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 3ns1 h PRO 1224Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3ns1 h PRO 1224CO 0.30 0.00 -0.30 -1.13 -0.23 0.00 0.00 178.00 176.64 3ns1 n SER 1225N -2.71 0.67 0.00 1.44 3.41 -1.26 -3.87 113.62 111.30 3ns1 n SER 1225Ca -0.02 -0.51 0.00 0.00 -0.26 0.00 0.00 58.87 58.08 3ns1 n SER 1225Cb 0.09 0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 3ns1 n SER 1225CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3ns1 n THR 1226N -1.06 0.00 -4.03 6.66 -2.24 -1.06 -4.98 114.28 107.57 3ns1 n THR 1226Ca 0.10 -0.36 -0.31 0.00 -2.27 0.00 0.00 64.05 61.21 3ns1 n THR 1226Cb 0.33 0.90 -0.16 0.00 -2.10 0.00 0.00 70.33 69.30 3ns1 n THR 1226CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3ns1 s TYR 1227N -1.04 2.38 -0.37 4.78 5.04 -0.43 -4.88 117.35 122.84 3ns1 s TYR 1227Ca 0.00 -1.43 -0.07 0.00 -2.44 0.00 0.00 57.07 53.12 3ns1 s TYR 1227Cb 0.00 -1.68 0.05 0.00 0.35 0.00 0.00 41.96 40.69 3ns1 s TYR 1227CO 0.00 -0.72 0.16 0.15 -1.34 0.00 0.00 175.55 173.80 3ns1 s LYS 1228N 1.41 2.60 0.27 4.97 -0.14 -1.26 -4.32 119.74 123.27 3ns1 s LYS 1228Ca 0.03 -1.28 -0.02 0.00 -1.36 0.00 0.00 55.97 53.34 3ns1 s LYS 1228Cb -0.14 -3.57 -0.04 0.00 -1.68 0.00 0.00 37.83 32.40 3ns1 s LYS 1228CO -0.10 -0.76 0.49 0.96 -0.76 0.00 0.00 175.35 175.17 3ns1 s ILE 1229N 1.41 5.11 0.42 2.17 -4.36 -1.26 -3.78 121.20 120.91 3ns1 s ILE 1229Ca 0.00 -0.25 -0.24 0.00 -0.26 0.00 0.00 60.65 59.91 3ns1 s ILE 1229Cb -0.21 -3.77 -0.11 0.00 1.25 0.00 0.00 42.46 39.63 3ns1 s ILE 1229CO 0.03 -0.33 0.92 -2.65 0.24 0.00 0.00 174.94 173.14 3ns1 n PRO 1230N -1.07 1.17 -4.59 0.37 -0.02 -1.26 -5.01 135.00 124.59 3ns1 n PRO 1230Ca -0.04 0.42 -0.30 0.00 -2.02 0.00 0.00 63.50 61.57 3ns1 n PRO 1230Cb 0.54 -1.93 -0.08 0.00 -0.02 0.00 0.00 33.50 32.01 3ns1 n PRO 1230CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ns1 s ALA 1231N -1.30 3.75 0.27 3.55 0.00 -1.26 -4.97 121.76 121.79 3ns1 s ALA 1231Ca 0.63 -1.30 -0.03 0.00 0.00 0.00 0.00 51.96 51.26 3ns1 s ALA 1231Cb -0.57 -0.01 0.55 0.00 0.00 0.00 0.00 23.12 23.09 3ns1 s ALA 1231CO 0.57 -0.10 1.62 0.74 0.00 0.00 0.00 175.76 178.59 3ns1 h PHE 1232N 1.47 0.03 -0.19 0.00 -1.00 -2.00 0.11 116.94 115.35 3ns1 h PHE 1232Ca -0.43 0.06 0.00 0.00 2.81 0.00 0.00 57.97 60.40 3ns1 h PHE 1232Cb 1.28 0.12 0.00 0.00 3.61 0.00 0.00 35.95 40.96 3ns1 h PHE 1232CO 1.11 -0.27 0.00 0.41 -1.61 0.00 0.00 178.31 177.95 3ns1 n GLY 1233N -1.43 -0.03 0.17 -1.45 0.00 -1.26 -3.98 105.19 97.20 3ns1 n GLY 1233Ca 0.17 -0.25 0.07 0.00 0.00 0.00 0.00 46.02 46.00 3ns1 n GLY 1233CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3ns1 h SER 1234N 1.30 0.00 -3.99 1.61 0.02 -1.16 -3.48 113.55 107.86 3ns1 h SER 1234Ca 0.00 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.46 3ns1 h SER 1234Cb 0.29 0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.86 3ns1 h SER 1234CO 0.00 0.27 0.27 0.27 -1.14 0.00 0.00 176.83 176.50 3ns1 s ILE 1235N -3.09 4.71 0.14 3.27 -4.36 -1.25 -4.77 121.20 115.86 3ns1 s ILE 1235Ca 0.04 0.79 -0.31 0.00 -0.26 0.00 0.00 60.65 60.91 3ns1 s ILE 1235Cb 0.07 -3.79 -0.09 0.00 1.25 0.00 0.00 42.46 39.90 3ns1 s ILE 1235CO 0.72 -0.79 1.50 -2.84 0.24 0.00 0.00 174.94 173.77 3ns1 s PRO 1236N -4.41 4.26 0.38 0.37 0.02 -1.26 -4.85 135.00 129.51 3ns1 s PRO 1236Ca 0.54 2.24 0.16 0.00 0.02 0.00 0.00 61.00 63.96 3ns1 s PRO 1236Cb -0.10 -3.20 1.04 0.00 0.02 0.00 0.00 34.50 32.26 3ns1 s PRO 1236CO 0.39 -0.54 1.77 1.15 -0.33 0.00 0.00 177.00 179.45 3ns1 h THR 1237N 4.12 0.56 -3.79 0.99 2.02 -1.15 -3.28 112.91 112.38 3ns1 h THR 1237Ca -0.42 -0.16 -0.68 0.00 0.77 0.00 0.00 66.41 65.92 3ns1 h THR 1237Cb 1.21 0.06 -0.35 0.00 -1.74 0.00 0.00 68.15 67.33 3ns1 h THR 1237CO 0.89 0.08 -0.74 -1.61 0.37 0.00 0.00 175.52 174.52 3ns1 s GLU 1238N -5.55 2.24 -0.26 6.66 0.41 -0.93 -5.00 118.70 116.27 3ns1 s GLU 1238Ca -0.09 -1.38 0.03 0.00 -0.41 0.00 0.00 54.97 53.11 3ns1 s GLU 1238Cb 0.25 -3.08 0.06 0.00 -1.78 0.00 0.00 34.13 29.58 3ns1 s GLU 1238CO 0.80 -0.65 -0.10 0.12 -0.49 0.00 0.00 175.26 174.94 3ns1 s PHE 1239N 1.15 3.20 -0.10 1.61 5.99 -1.24 -0.88 117.98 127.71 3ns1 s PHE 1239Ca -0.05 -2.30 0.01 0.00 0.00 0.00 0.00 56.93 54.60 3ns1 s PHE 1239Cb -0.20 -1.93 0.02 0.00 0.00 0.00 0.00 43.02 40.91 3ns1 s PHE 1239CO -0.04 -0.87 -0.12 1.03 -0.00 0.00 0.00 175.22 175.23 3ns1 s ARG 1240N 1.12 1.81 -0.07 10.12 0.52 -0.56 -5.03 118.95 126.87 3ns1 s ARG 1240Ca -0.08 -0.41 0.03 0.00 -0.52 0.00 0.00 55.73 54.75 3ns1 s ARG 1240Cb -0.20 -1.63 0.01 0.00 0.52 0.00 0.00 34.95 33.65 3ns1 s ARG 1240CO -0.05 -0.11 -0.15 0.08 0.02 0.00 0.00 175.30 175.09 3ns1 s VAL 1241N 1.15 1.31 0.07 3.52 1.01 -1.26 -0.47 120.40 125.74 3ns1 s VAL 1241Ca -0.05 -0.59 0.09 0.00 0.00 0.00 0.00 61.98 61.44 3ns1 s VAL 1241Cb -0.14 -1.18 -0.03 0.00 0.00 0.00 0.00 36.38 35.03 3ns1 s VAL 1241CO -0.03 0.39 -0.24 -0.44 0.00 0.00 0.00 175.10 174.78 3ns1 s SER 1242N 0.58 2.94 -0.01 3.32 0.01 -0.14 -4.99 113.70 115.41 3ns1 s SER 1242Ca -0.15 -0.61 -0.16 0.00 1.31 0.00 0.00 55.95 56.34 3ns1 s SER 1242Cb -0.16 -0.24 -0.06 0.00 0.21 0.00 0.00 66.02 65.78 3ns1 s SER 1242CO 0.05 0.20 0.43 -0.76 0.41 0.00 0.00 173.24 173.57 3ns1 s LEU 1243N -1.45 4.45 0.42 2.44 1.43 -1.26 -1.65 118.68 123.05 3ns1 s LEU 1243Ca 0.10 0.97 -0.25 0.00 -1.03 0.00 0.00 54.13 53.92 3ns1 s LEU 1243Cb -0.10 -2.63 -0.08 0.00 0.03 0.00 0.00 46.19 43.41 3ns1 s LEU 1243CO 0.03 0.27 1.24 -0.22 0.23 0.00 0.00 176.35 177.90 3ns1 s LEU 1244N -0.80 4.16 0.21 1.79 2.96 -0.00 -4.90 118.68 122.10 3ns1 s LEU 1244Ca 0.24 2.51 0.04 0.00 -0.22 0.00 0.00 54.13 56.71 3ns1 s LEU 1244Cb -0.17 -4.01 -0.03 0.00 0.50 0.00 0.00 46.19 42.48 3ns1 s LEU 1244CO 0.13 -0.84 0.30 -0.13 -1.32 0.00 0.00 176.35 174.49 3ns1 s ARG 1245N -2.36 3.34 -1.10 1.98 0.52 -1.26 -4.69 118.95 115.38 3ns1 s ARG 1245Ca 0.59 -0.75 -0.19 0.00 -0.52 0.00 0.00 55.73 54.86 3ns1 s ARG 1245Cb -0.34 -2.86 -0.01 0.00 0.52 0.00 0.00 34.95 32.26 3ns1 s ARG 1245CO 0.43 0.46 0.79 -0.25 0.02 0.00 0.00 175.30 176.76 3ns1 n ASP 1246N -1.03 -5.52 -3.02 0.23 8.00 -1.26 -4.98 116.55 108.96 3ns1 n ASP 1246Ca -0.08 -0.96 -0.15 0.00 0.71 0.00 0.00 54.79 54.31 3ns1 n ASP 1246Cb 0.56 -3.51 0.00 0.00 -0.02 0.00 0.00 41.12 38.16 3ns1 n ASP 1246CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ns1 n PRO 1248N 0.62 2.59 -3.16 0.00 -0.04 -1.26 -4.12 135.00 129.64 3ns1 n PRO 1248Ca 0.17 0.91 -0.43 0.00 -0.04 0.00 0.00 63.50 64.11 3ns1 n PRO 1248Cb 0.65 -2.64 -0.07 0.00 -0.04 0.00 0.00 33.50 31.40 3ns1 n PRO 1248CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 3ns1 s ASN 1249N 0.04 6.24 0.60 3.54 2.47 -0.11 -4.93 114.94 122.79 3ns1 s ASN 1249Ca 0.57 -0.77 0.28 0.00 0.42 0.00 0.00 52.86 53.36 3ns1 s ASN 1249Cb -0.50 -2.29 1.39 0.00 -1.45 0.00 0.00 41.25 38.40 3ns1 s ASN 1249CO 0.59 -0.85 1.79 0.11 -3.72 0.00 0.00 177.10 175.02 3ns1 h LYS 1250N 8.95 0.00 -0.02 0.43 1.57 -1.92 -3.22 116.57 122.36 3ns1 h LYS 1250Ca -0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 3ns1 h LYS 1250Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.41 3ns1 h LYS 1250CO 0.94 0.00 -0.16 1.63 -0.57 0.00 0.00 179.45 181.29 3ns1 n LYS 1251N -3.57 1.58 -4.15 3.15 4.76 -1.26 -4.96 118.16 113.71 3ns1 n LYS 1251Ca 0.10 -1.14 -0.11 0.00 -2.87 0.00 0.00 58.31 54.29 3ns1 n LYS 1251Cb 0.80 -1.48 -0.09 0.00 -1.84 0.00 0.00 35.03 32.42 3ns1 n LYS 1251CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3ns1 s ALA 1252N -2.21 0.81 0.14 7.82 0.00 -1.22 -5.08 121.76 122.02 3ns1 s ALA 1252Ca 0.28 -1.48 -0.35 0.00 0.00 0.00 0.00 51.96 50.41 3ns1 s ALA 1252Cb 0.20 1.27 -0.15 0.00 0.00 0.00 0.00 23.12 24.44 3ns1 s ALA 1252CO 0.42 -0.64 1.46 1.51 0.00 0.00 0.00 175.76 178.51 3ns1 n ILE 1253N -0.28 0.10 -2.91 0.00 0.13 -1.26 -0.98 119.36 114.17 3ns1 n ILE 1253Ca 0.00 -0.03 -0.12 0.00 -1.10 0.00 0.00 62.75 61.51 3ns1 n ILE 1253Cb 0.65 -1.24 -0.01 0.00 -0.84 0.00 0.00 39.64 38.19 3ns1 n ILE 1253CO 0.00 0.00 0.00 -1.22 2.80 0.00 0.00 176.55 178.13 3ns1 n TYR 1254N 2.90 -1.75 -1.06 9.51 0.53 -1.26 -1.71 117.16 124.33 3ns1 n TYR 1254Ca 0.17 0.17 -0.02 0.00 -1.02 0.00 0.00 57.90 57.20 3ns1 n TYR 1254Cb 0.25 -1.69 -0.01 0.00 -1.03 0.00 0.00 39.34 36.86 3ns1 n TYR 1254CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3ns1 n ALA 1255N -2.82 -0.03 -1.47 -0.72 0.00 -0.15 -4.81 120.51 110.51 3ns1 n ALA 1255Ca -0.01 0.03 -0.14 0.00 0.00 0.00 0.00 53.44 53.32 3ns1 n ALA 1255Cb 0.52 -0.76 0.15 0.00 0.00 0.00 0.00 19.45 19.36 3ns1 n ALA 1255CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3ns1 n SER 1256N -0.23 -0.41 -3.92 0.00 3.41 -0.69 -0.93 113.62 110.85 3ns1 n SER 1256Ca -0.02 -1.23 -0.10 0.00 -0.26 0.00 0.00 58.87 57.26 3ns1 n SER 1256Cb 0.23 -0.69 -0.10 0.00 -0.26 0.00 0.00 64.21 63.39 3ns1 n SER 1256CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3ns1 s LYS 1257N -4.90 0.46 0.30 4.33 1.02 -1.04 -4.50 119.74 115.41 3ns1 s LYS 1257Ca 0.51 -0.56 -0.30 0.00 0.02 0.00 0.00 55.97 55.64 3ns1 s LYS 1257Cb -0.02 0.18 -0.11 0.00 -0.52 0.00 0.00 37.83 37.36 3ns1 s LYS 1257CO 0.36 -0.10 1.60 0.00 -0.92 0.00 0.00 175.35 176.28 3ns1 s ALA 1258N -1.74 3.74 -0.00 5.17 0.00 -1.26 -4.90 121.76 122.77 3ns1 s ALA 1258Ca -0.12 1.59 0.00 0.00 0.00 0.00 0.00 51.96 53.43 3ns1 s ALA 1258Cb -0.07 -3.65 -0.01 0.00 0.00 0.00 0.00 23.12 19.40 3ns1 s ALA 1258CO -0.01 -1.01 0.00 1.55 0.00 0.00 0.00 175.76 176.30 3ns1 n VAL 1259N 2.03 0.02 -0.15 0.00 3.14 -1.26 -4.86 118.33 117.24 3ns1 n VAL 1259Ca 0.08 -0.01 -0.09 0.00 -2.96 0.00 0.00 64.34 61.35 3ns1 n VAL 1259Cb 0.37 -0.60 -0.03 0.00 -1.06 0.00 0.00 33.84 32.52 3ns1 n VAL 1259CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 3ns1 h GLY 1260N 0.08 -0.44 0.28 7.55 0.00 -1.92 -3.34 103.07 105.28 3ns1 h GLY 1260Ca -0.01 0.52 -0.37 0.00 0.00 0.00 0.00 47.33 47.47 3ns1 h GLY 1260CO 0.00 -0.18 -2.25 1.18 0.00 0.00 0.00 176.54 175.29 3ns1 n GLU 1261N -5.42 0.69 -0.38 4.80 1.02 -1.26 -4.65 120.64 115.45 3ns1 n GLU 1261Ca 0.01 0.18 0.31 0.00 -0.02 0.00 0.00 57.16 57.63 3ns1 n GLU 1261Cb 0.35 -1.60 0.57 0.00 -0.02 0.00 0.00 31.44 30.74 3ns1 n GLU 1261CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 3ns1 h PRO 1262N 0.02 0.17 0.00 3.49 0.11 -1.89 -2.35 132.00 131.55 3ns1 h PRO 1262Ca -0.50 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 65.46 3ns1 h PRO 1262Cb 1.99 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 33.04 3ns1 h PRO 1262CO -0.00 0.11 -0.68 -1.35 -0.21 0.00 0.00 178.00 175.87 3ns1 h PRO 1263N 0.17 0.00 -0.93 1.05 0.11 -1.83 -3.35 132.00 127.23 3ns1 h PRO 1263Ca 0.78 0.00 0.27 0.00 0.11 0.00 0.00 66.00 67.15 3ns1 h PRO 1263Cb 2.14 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 33.11 3ns1 h PRO 1263CO -0.52 0.68 0.35 1.25 -0.21 0.00 0.00 178.00 179.55 3ns1 h LEU 1264N 0.00 0.18 -2.32 2.35 6.46 -1.62 0.11 115.31 120.48 3ns1 h LEU 1264Ca -0.01 0.20 -0.01 0.00 -0.12 0.00 0.00 57.88 57.94 3ns1 h LEU 1264Cb 1.24 0.22 -0.00 0.00 -0.73 0.00 0.00 40.66 41.39 3ns1 h LEU 1264CO 0.09 -0.15 -0.04 0.15 -0.62 0.00 0.00 178.44 177.87 3ns1 h PHE 1265N 0.25 0.00 0.00 1.25 3.57 -1.78 -2.53 116.94 117.70 3ns1 h PHE 1265Ca 0.62 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 62.10 3ns1 h PHE 1265Cb 1.31 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.05 3ns1 h PHE 1265CO -0.18 0.04 -0.07 -0.07 -2.23 0.00 0.00 178.31 175.81 3ns1 h LEU 1266N 0.00 0.00 -1.83 0.59 3.38 -1.03 -0.82 115.31 115.60 3ns1 h LEU 1266Ca -0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 3ns1 h LEU 1266Cb 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3ns1 h LEU 1266CO 0.01 0.07 0.43 1.23 0.09 0.00 0.00 178.44 180.26 3ns1 h GLY 1267N 0.72 0.00 2.00 0.83 0.00 -1.61 -0.47 103.07 104.54 3ns1 h GLY 1267Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 3ns1 h GLY 1267CO 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 176.54 176.55 3ns1 h ALA 1268N 1.26 1.03 -0.31 3.60 0.00 -1.38 -0.76 119.26 122.70 3ns1 h ALA 1268Ca 0.06 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3ns1 h ALA 1268Cb 0.91 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3ns1 h ALA 1268CO -0.00 0.00 0.08 0.66 0.00 0.00 0.00 179.25 179.99 3ns1 h SER 1269N 0.00 0.40 -0.57 0.00 4.64 -1.30 0.22 113.55 116.94 3ns1 h SER 1269Ca -0.00 -0.05 -0.08 0.00 -0.47 0.00 0.00 61.79 61.20 3ns1 h SER 1269Cb 0.06 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.03 3ns1 h SER 1269CO 0.00 0.41 0.08 0.58 -0.87 0.00 0.00 176.83 177.03 3ns1 h VAL 1270N 0.44 1.26 -0.43 0.95 2.07 -1.33 -1.13 116.25 118.07 3ns1 h VAL 1270Ca 0.11 -1.01 -0.00 0.00 0.82 0.00 0.00 66.70 66.61 3ns1 h VAL 1270Cb 0.17 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 3ns1 h VAL 1270CO -0.00 0.37 0.26 0.15 0.02 0.00 0.00 177.57 178.37 3ns1 h PHE 1271N 0.93 0.56 0.00 1.57 3.57 -0.67 -1.60 116.94 121.30 3ns1 h PHE 1271Ca 0.18 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.67 3ns1 h PHE 1271Cb 0.43 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 38.99 3ns1 h PHE 1271CO 0.03 0.40 -0.08 0.74 -2.23 0.00 0.00 178.31 177.16 3ns1 h PHE 1272N 0.56 0.00 -0.29 0.41 -1.00 -1.04 -2.05 116.94 113.53 3ns1 h PHE 1272Ca 0.15 0.00 -0.15 0.00 2.81 0.00 0.00 57.97 60.79 3ns1 h PHE 1272Cb -0.00 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.56 3ns1 h PHE 1272CO -0.03 0.08 -0.40 0.00 -1.61 0.00 0.00 178.31 176.35 3ns1 h ALA 1273N 1.92 0.43 -0.49 2.45 0.00 -0.93 -2.51 119.26 120.13 3ns1 h ALA 1273Ca -0.00 -0.45 0.03 0.00 0.00 0.00 0.00 54.91 54.49 3ns1 h ALA 1273Cb 0.95 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 3ns1 h ALA 1273CO 0.01 0.54 0.28 0.82 0.00 0.00 0.00 179.25 180.90 3ns1 h ILE 1274N 0.53 1.02 -0.47 0.00 2.04 -1.09 -2.16 117.51 117.38 3ns1 h ILE 1274Ca 0.03 -0.19 0.04 0.00 1.00 0.00 0.00 64.86 65.74 3ns1 h ILE 1274Cb 0.99 0.42 -0.04 0.00 -0.74 0.00 0.00 36.82 37.45 3ns1 h ILE 1274CO 0.09 0.10 0.23 0.50 0.00 0.00 0.00 178.15 179.08 3ns1 h LYS 1275N 0.55 0.45 -0.91 2.37 3.64 -1.40 0.76 116.57 122.03 3ns1 h LYS 1275Ca 0.20 -0.03 0.09 0.00 -1.27 0.00 0.00 60.65 59.65 3ns1 h LYS 1275Cb 0.06 -0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 31.70 3ns1 h LYS 1275CO -0.11 0.30 0.56 0.22 -2.27 0.00 0.00 179.45 178.14 3ns1 h ASP 1276N 0.46 0.84 0.28 4.20 3.58 -1.33 -0.74 116.42 123.71 3ns1 h ASP 1276Ca 0.21 0.03 -0.17 0.00 0.42 0.00 0.00 57.03 57.52 3ns1 h ASP 1276Cb 0.12 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.03 3ns1 h ASP 1276CO -0.15 0.49 -0.68 0.00 -2.88 0.00 0.00 179.24 176.02 3ns1 h ALA 1277N 1.47 0.67 -0.83 -0.78 0.00 -0.66 -2.77 119.26 116.36 3ns1 h ALA 1277Ca 0.43 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3ns1 h ALA 1277Cb 0.32 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 3ns1 h ALA 1277CO -0.22 0.75 0.52 0.82 0.00 0.00 0.00 179.25 181.11 3ns1 h ILE 1278N 0.26 1.22 -0.72 0.00 2.04 -0.20 -2.25 117.51 117.86 3ns1 h ILE 1278Ca -0.02 -0.46 0.01 0.00 1.00 0.00 0.00 64.86 65.39 3ns1 h ILE 1278Cb 1.23 0.04 -0.04 0.00 -0.74 0.00 0.00 36.82 37.32 3ns1 h ILE 1278CO 0.11 0.23 0.48 0.03 0.00 0.00 0.00 178.15 179.00 3ns1 h ARG 1279N 1.13 0.95 -0.31 2.37 3.08 -0.88 0.19 114.38 120.92 3ns1 h ARG 1279Ca 0.30 -0.06 -0.18 0.00 0.07 0.00 0.00 59.98 60.11 3ns1 h ARG 1279Cb -0.08 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 29.76 3ns1 h ARG 1279CO -0.06 0.63 -0.52 0.00 -1.07 0.00 0.00 179.97 178.96 3ns1 h ALA 1280N 1.26 0.47 -0.61 0.04 0.00 -1.45 0.01 119.26 118.99 3ns1 h ALA 1280Ca 0.26 -0.50 0.07 0.00 0.00 0.00 0.00 54.91 54.74 3ns1 h ALA 1280Cb -0.11 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.54 3ns1 h ALA 1280CO -0.06 0.67 0.29 0.00 0.00 0.00 0.00 179.25 180.16 3ns1 h ALA 1281N 0.69 0.81 -0.63 0.00 0.00 -1.20 -1.87 119.26 117.07 3ns1 h ALA 1281Ca 0.02 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3ns1 h ALA 1281Cb 1.12 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 3ns1 h ALA 1281CO 0.12 -0.08 0.14 0.00 0.00 0.00 0.00 179.25 179.43 3ns1 h ARG 1282N 0.54 0.99 -0.29 0.00 3.08 -0.16 -2.53 114.38 116.01 3ns1 h ARG 1282Ca 0.29 -0.23 -0.04 0.00 0.07 0.00 0.00 59.98 60.07 3ns1 h ARG 1282Cb 0.26 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 3ns1 h ARG 1282CO -0.23 0.89 0.01 0.00 -1.07 0.00 0.00 179.97 179.58 3ns1 h ALA 1283N 1.20 1.49 0.23 0.04 0.00 -0.78 0.49 119.26 121.93 3ns1 h ALA 1283Ca 0.20 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3ns1 h ALA 1283Cb 0.35 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3ns1 h ALA 1283CO 0.00 0.37 -0.11 0.37 0.00 0.00 0.00 179.25 179.88 3ns1 h GLN 1284N 0.42 -0.30 0.00 0.00 5.75 -0.98 -3.42 115.11 116.58 3ns1 h GLN 1284Ca 0.10 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.62 3ns1 h GLN 1284Cb 0.26 0.07 0.00 0.00 1.07 0.00 0.00 27.48 28.88 3ns1 h GLN 1284CO 0.01 -0.00 -0.39 0.72 -2.65 0.00 0.00 178.83 176.51 3ns1 n HIS 1285N -5.10 0.00 -0.00 3.99 8.25 -0.99 -4.94 115.22 116.43 3ns1 n HIS 1285Ca -0.09 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.37 3ns1 n HIS 1285Cb 0.23 -0.01 -0.00 0.00 1.12 0.00 0.00 29.99 31.33 3ns1 n HIS 1285CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 3ns1 n THR 1286N -1.20 0.03 -3.99 1.59 5.66 0.15 -4.70 114.28 111.82 3ns1 n THR 1286Ca 0.01 0.20 -0.03 0.00 -3.05 0.00 0.00 64.05 61.18 3ns1 n THR 1286Cb 0.11 -1.21 -0.01 0.00 -1.55 0.00 0.00 70.33 67.67 3ns1 n THR 1286CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 3ns1 n ASN 1287N -2.53 -0.15 -0.31 1.09 2.04 -1.22 -5.08 115.26 109.11 3ns1 n ASN 1287Ca -0.00 -1.39 0.03 0.00 -0.44 0.00 0.00 54.58 52.79 3ns1 n ASN 1287Cb 0.00 0.33 0.09 0.00 -2.53 0.00 0.00 39.78 37.67 3ns1 n ASN 1287CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 3ns1 n ASN 1288N -2.66 2.51 -4.44 0.53 3.02 -1.26 -4.58 115.26 108.38 3ns1 n ASN 1288Ca 0.01 -2.14 -0.44 0.00 -0.03 0.00 0.00 54.58 51.98 3ns1 n ASN 1288Cb 0.11 -0.16 -0.02 0.00 -0.61 0.00 0.00 39.78 39.10 3ns1 n ASN 1288CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3ns1 s ASN 1289N -1.19 6.78 0.19 6.41 2.47 -1.26 -4.86 114.94 123.47 3ns1 s ASN 1289Ca 0.14 -2.40 -0.15 0.00 0.42 0.00 0.00 52.86 50.87 3ns1 s ASN 1289Cb 0.09 -2.38 0.17 0.00 -1.45 0.00 0.00 41.25 37.68 3ns1 s ASN 1289CO 0.07 -0.91 1.66 0.71 -3.72 0.00 0.00 177.10 174.91 3ns1 h THR 1290N 5.37 0.54 0.00 -5.21 1.35 -1.99 -2.72 112.91 110.24 3ns1 h THR 1290Ca 0.20 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 66.04 3ns1 h THR 1290Cb 0.98 0.50 0.00 0.00 -1.73 0.00 0.00 68.15 67.90 3ns1 h THR 1290CO 1.11 0.01 0.00 0.29 -0.25 0.00 0.00 175.52 176.68 3ns1 n LYS 1291N -5.31 0.71 -3.24 4.72 5.02 -1.26 -4.84 118.16 113.96 3ns1 n LYS 1291Ca 0.05 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.95 3ns1 n LYS 1291Cb 0.27 -1.15 -0.06 0.00 -0.02 0.00 0.00 35.03 34.08 3ns1 n LYS 1291CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 3ns1 s GLU 1292N 0.34 4.30 -0.16 1.97 2.12 -1.03 -4.77 118.70 121.47 3ns1 s GLU 1292Ca 0.00 0.66 -0.08 0.00 0.36 0.00 0.00 54.97 55.91 3ns1 s GLU 1292Cb 0.00 -3.36 -0.04 0.00 0.26 0.00 0.00 34.13 30.99 3ns1 s GLU 1292CO 0.00 0.33 0.12 -0.51 -0.54 0.00 0.00 175.26 174.66 3ns1 s LEU 1293N -0.02 4.22 0.13 2.70 1.43 -1.26 -5.03 118.68 120.84 3ns1 s LEU 1293Ca 0.30 0.31 0.05 0.00 -1.03 0.00 0.00 54.13 53.75 3ns1 s LEU 1293Cb -0.17 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 43.95 3ns1 s LEU 1293CO 0.16 0.28 -0.11 0.72 0.23 0.00 0.00 176.35 177.63 3ns1 s PHE 1294N -0.26 1.25 -0.16 0.29 -0.12 -1.26 -5.14 117.98 112.59 3ns1 s PHE 1294Ca 0.11 -0.68 -0.23 0.00 -0.05 0.00 0.00 56.93 56.08 3ns1 s PHE 1294Cb -0.12 -0.65 -0.03 0.00 -0.63 0.00 0.00 43.02 41.60 3ns1 s PHE 1294CO 0.01 0.08 0.70 0.50 -0.05 0.00 0.00 175.22 176.46 3ns1 s ARG 1295N -3.22 4.29 -0.21 1.99 3.52 -1.26 -5.04 118.95 119.02 3ns1 s ARG 1295Ca 0.12 0.79 -0.01 0.00 -0.13 0.00 0.00 55.73 56.50 3ns1 s ARG 1295Cb -0.01 -3.54 0.06 0.00 -1.56 0.00 0.00 34.95 29.90 3ns1 s ARG 1295CO 0.01 -0.18 -0.02 -1.17 -0.81 0.00 0.00 175.30 173.12 3ns1 s LEU 1296N 1.69 1.98 0.66 -0.88 2.96 -1.26 -5.09 118.68 118.74 3ns1 s LEU 1296Ca 0.33 -0.98 -0.10 0.00 -0.22 0.00 0.00 54.13 53.16 3ns1 s LEU 1296Cb -0.16 -0.95 -0.00 0.00 0.50 0.00 0.00 46.19 45.57 3ns1 s LEU 1296CO 0.13 -0.25 1.04 -1.81 -1.32 0.00 0.00 176.35 174.14 3ns1 s ASP 1297N 1.58 5.70 -0.12 3.68 1.01 -1.26 -4.91 116.67 122.35 3ns1 s ASP 1297Ca -0.03 1.14 -0.06 0.00 0.71 0.00 0.00 52.55 54.30 3ns1 s ASP 1297Cb -0.18 -2.05 -0.04 0.00 1.01 0.00 0.00 42.92 41.67 3ns1 s ASP 1297CO -0.07 -1.15 0.11 -0.55 0.21 0.00 0.00 175.17 173.72 3ns1 s SER 1298N -4.30 6.15 0.17 0.27 0.15 -0.90 -3.64 113.70 111.60 3ns1 s SER 1298Ca 0.56 0.39 -0.27 0.00 0.70 0.00 0.00 55.95 57.34 3ns1 s SER 1298Cb -0.11 -1.96 -0.08 0.00 -1.71 0.00 0.00 66.02 62.16 3ns1 s SER 1298CO 0.51 0.39 0.82 -2.16 1.20 0.00 0.00 173.24 174.00 3ns1 s PRO 1299N -0.91 4.63 -1.08 5.44 0.04 -1.26 -1.58 135.00 140.28 3ns1 s PRO 1299Ca 0.14 1.24 -0.20 0.00 0.04 0.00 0.00 61.00 62.22 3ns1 s PRO 1299Cb -0.12 -3.28 -0.07 0.00 0.04 0.00 0.00 34.50 31.06 3ns1 s PRO 1299CO 0.03 0.51 1.95 0.00 0.04 0.00 0.00 177.00 179.53 3ns1 n ALA 1300N 1.78 3.25 -0.73 8.56 0.00 -0.76 -4.88 120.51 127.72 3ns1 n ALA 1300Ca -0.04 -3.39 -0.28 0.00 0.00 0.00 0.00 53.44 49.72 3ns1 n ALA 1300Cb 0.48 -3.57 0.24 0.00 0.00 0.00 0.00 19.45 16.60 3ns1 n ALA 1300CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3ns1 s THR 1301N 6.42 2.00 0.38 0.00 -4.23 -1.23 -4.67 115.64 114.31 3ns1 s THR 1301Ca 0.59 0.00 0.07 0.00 -1.18 0.00 0.00 61.69 61.16 3ns1 s THR 1301Cb 0.08 -2.19 0.29 0.00 1.34 0.00 0.00 72.50 72.02 3ns1 s THR 1301CO 0.09 -0.00 2.00 -0.65 -0.54 0.00 0.00 174.62 175.52 3ns1 h PRO 1302N -2.47 0.64 -0.47 3.99 0.11 -1.86 -1.78 132.00 130.17 3ns1 h PRO 1302Ca -0.61 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 65.50 3ns1 h PRO 1302Cb 1.34 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 32.26 3ns1 h PRO 1302CO 0.53 0.43 0.24 1.49 -0.21 0.00 0.00 178.00 180.48 3ns1 h GLU 1303N 0.66 0.47 -0.19 1.05 4.81 -1.88 -1.45 114.58 118.05 3ns1 h GLU 1303Ca 0.25 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.33 3ns1 h GLU 1303Cb 0.15 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 3ns1 h GLU 1303CO -0.07 0.31 -0.40 0.87 -0.73 0.00 0.00 179.01 178.99 3ns1 h LYS 1304N 0.48 0.42 -0.05 1.92 1.57 -1.72 -2.71 116.57 116.49 3ns1 h LYS 1304Ca 0.20 -0.21 -0.05 0.00 -1.87 0.00 0.00 60.65 58.72 3ns1 h LYS 1304Cb 0.09 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 3ns1 h LYS 1304CO -0.13 0.76 -0.16 0.82 -0.57 0.00 0.00 179.45 180.16 3ns1 h ILE 1305N 0.35 1.45 0.49 1.86 2.04 -1.17 -2.75 117.51 119.77 3ns1 h ILE 1305Ca 0.03 -1.57 -0.02 0.00 1.00 0.00 0.00 64.86 64.30 3ns1 h ILE 1305Cb 0.86 2.34 0.00 0.00 -0.74 0.00 0.00 36.82 39.28 3ns1 h ILE 1305CO 0.07 0.43 -0.23 -0.09 0.00 0.00 0.00 178.15 178.33 3ns1 h ARG 1306N -0.33 -0.63 -0.80 2.37 9.65 -1.31 -2.89 114.38 120.44 3ns1 h ARG 1306Ca -0.01 0.04 0.16 0.00 -1.10 0.00 0.00 59.98 59.08 3ns1 h ARG 1306Cb 0.79 0.14 -0.05 0.00 -1.39 0.00 0.00 29.97 29.46 3ns1 h ARG 1306CO 0.03 -0.41 0.53 -0.91 2.80 0.00 0.00 179.97 182.02 3ns1 h ASN 1307N -0.68 0.41 1.44 -3.80 2.35 -1.57 0.34 115.58 114.06 3ns1 h ASN 1307Ca -0.07 0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.71 3ns1 h ASN 1307Cb 0.52 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.83 3ns1 h ASN 1307CO 0.11 0.20 -0.00 0.00 -1.65 0.00 0.00 177.43 176.09 3ns1 h ALA 1308N 1.63 1.00 -0.53 -0.83 0.00 -1.40 -3.29 119.26 115.84 3ns1 h ALA 1308Ca 0.40 -0.00 -0.73 0.00 0.00 0.00 0.00 54.91 54.58 3ns1 h ALA 1308Cb 0.92 -0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.62 3ns1 h ALA 1308CO -0.14 0.00 2.67 0.00 0.00 0.00 0.00 179.25 181.78 3ns1 n VAL 1310N 2.83 0.33 -2.98 0.00 0.31 -1.24 -4.86 118.33 112.72 3ns1 n VAL 1310Ca 0.59 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.83 3ns1 n VAL 1310Cb 0.29 -1.64 0.00 0.00 -0.91 0.00 0.00 33.84 31.58 3ns1 n VAL 1310CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3ns1 n ASP 1311N 3.08 0.00 0.00 4.52 5.68 -1.26 -4.32 116.55 124.24 3ns1 n ASP 1311Ca 0.15 -0.95 0.01 0.00 -0.50 0.00 0.00 54.79 53.50 3ns1 n ASP 1311Cb 0.31 0.00 0.07 0.00 -1.14 0.00 0.00 41.12 40.36 3ns1 n ASP 1311CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 3ns1 n LYS 1312N 0.00 0.05 -0.10 0.11 2.85 -1.26 -2.07 118.16 117.74 3ns1 n LYS 1312Ca 0.00 0.22 -0.18 0.00 -1.05 0.00 0.00 58.31 57.30 3ns1 n LYS 1312Cb 0.00 -1.50 -0.07 0.00 -0.65 0.00 0.00 35.03 32.81 3ns1 n LYS 1312CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 3ns1 n PHE 1313N -1.24 0.00 -0.16 5.58 3.01 -1.26 -4.45 117.46 118.94 3ns1 n PHE 1313Ca 0.01 0.00 0.15 0.00 1.01 0.00 0.00 57.45 58.63 3ns1 n PHE 1313Cb 0.02 -0.70 0.51 0.00 -0.01 0.00 0.00 39.48 39.30 3ns1 n PHE 1313CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 3ns1 h THR 1314N -0.48 0.80 -0.02 4.37 1.35 -1.86 -3.54 112.91 113.53 3ns1 h THR 1314Ca -0.47 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.25 3ns1 h THR 1314Cb 1.50 0.36 0.00 0.00 -1.73 0.00 0.00 68.15 68.27 3ns1 h THR 1314CO -0.23 0.07 0.00 0.35 -0.25 0.00 0.00 175.52 175.47