#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oni n TYR 570 N 0.00 0.00 -3.25 1.47 4.01 -1.26 -4.85 117.16 113.27 2oni n TYR 570 Ca 0.00 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.49 2oni n TYR 570 Cb 0.00 -0.32 -0.08 0.00 -0.31 0.00 0.00 39.34 38.63 2oni n TYR 570 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2oni n PHE 571 N -2.55 0.03 -1.81 -0.72 3.01 -1.26 -5.11 117.46 109.05 2oni n PHE 571 Ca -0.13 -3.60 -0.41 0.00 1.01 0.00 0.00 57.45 54.32 2oni n PHE 571 Cb 0.68 -0.29 0.00 0.00 -0.01 0.00 0.00 39.48 39.86 2oni n PHE 571 CO 0.00 0.00 0.00 1.14 1.01 0.00 0.00 176.76 178.91 2oni s GLN 572 N -1.15 4.02 -0.92 -1.08 0.00 -1.26 -2.11 119.66 117.15 2oni s GLN 572 Ca 0.35 2.53 0.00 0.00 -0.00 0.00 0.00 55.36 58.24 2oni s GLN 572 Cb 0.15 -2.90 0.00 0.00 0.00 0.00 0.00 33.01 30.25 2oni s GLN 572 CO -0.11 -0.59 0.00 0.41 0.00 0.00 0.00 175.29 175.00 2oni n GLY 573 N 0.49 0.43 0.23 2.60 0.00 -1.26 -4.93 105.19 102.75 2oni n GLY 573 Ca 0.02 -0.52 0.02 0.00 0.00 0.00 0.00 46.02 45.54 2oni n GLY 573 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2oni h SER 574 N 0.00 0.17 -0.19 1.61 4.64 -1.86 -1.29 113.55 116.62 2oni h SER 574 Ca -0.22 -0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.06 2oni h SER 574 Cb 0.96 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.99 2oni h SER 574 CO 0.28 0.38 0.12 -0.09 -0.87 0.00 0.00 176.83 176.65 2oni h ARG 575 N 0.17 0.26 -0.40 4.77 2.43 -1.91 -1.55 114.38 118.14 2oni h ARG 575 Ca 0.03 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.10 2oni h ARG 575 Cb 0.44 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 2oni h ARG 575 CO 0.03 0.21 -0.06 0.93 -1.51 0.00 0.00 179.97 179.57 2oni h GLU 576 N 0.23 0.75 -0.53 0.20 3.07 -1.88 -1.45 114.58 114.97 2oni h GLU 576 Ca 0.07 -0.27 0.10 0.00 -0.50 0.00 0.00 59.36 58.76 2oni h GLU 576 Cb 0.02 -0.05 -0.08 0.00 -0.84 0.00 0.00 28.75 27.80 2oni h GLU 576 CO -0.01 0.87 0.05 0.35 -1.40 0.00 0.00 179.01 178.86 2oni h PHE 577 N 0.56 0.06 -0.22 4.33 3.57 -1.14 -0.79 116.94 123.32 2oni h PHE 577 Ca 0.11 0.04 -0.16 0.00 3.53 0.00 0.00 57.97 61.48 2oni h PHE 577 Cb 0.57 0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.37 2oni h PHE 577 CO 0.05 -0.08 -0.49 -0.22 -2.23 0.00 0.00 178.31 175.34 2oni h LYS 578 N 0.17 0.72 -0.51 1.11 3.64 -1.12 -0.05 116.57 120.53 2oni h LYS 578 Ca 0.27 -0.48 0.10 0.00 -1.27 0.00 0.00 60.65 59.27 2oni h LYS 578 Cb 0.41 0.07 -0.09 0.00 -0.41 0.00 0.00 32.23 32.20 2oni h LYS 578 CO -0.41 1.10 -0.09 1.96 -2.27 0.00 0.00 179.45 179.75 2oni h GLN 579 N 0.44 0.03 -0.64 1.90 4.20 -1.13 0.20 115.11 120.11 2oni h GLN 579 Ca 0.00 -0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 2oni h GLN 579 Cb 1.10 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.84 2oni h GLN 579 CO 0.11 0.02 0.21 0.87 -0.67 0.00 0.00 178.83 179.37 2oni h LYS 580 N 0.03 1.00 0.04 1.46 1.57 -0.95 -2.42 116.57 117.30 2oni h LYS 580 Ca 0.25 -0.21 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2oni h LYS 580 Cb 0.38 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.55 2oni h LYS 580 CO -0.49 0.87 -0.02 -0.92 -0.57 0.00 0.00 179.45 178.32 2oni h TYR 581 N 0.93 -0.05 -0.40 -1.35 3.20 -0.43 0.17 116.97 119.04 2oni h TYR 581 Ca 0.21 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.14 2oni h TYR 581 Cb 0.29 0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.52 2oni h TYR 581 CO 0.02 -0.02 0.10 -0.44 -1.64 0.00 0.00 178.16 176.18 2oni h ASP 582 N -0.06 0.06 0.15 -2.11 3.32 -0.58 -1.09 116.42 116.11 2oni h ASP 582 Ca -0.01 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.11 2oni h ASP 582 Cb 0.05 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 2oni h ASP 582 CO 0.01 0.07 -0.13 0.22 -1.72 0.00 0.00 179.24 177.69 2oni h TYR 583 N 0.24 -0.33 -0.56 4.55 3.20 -1.16 -1.98 116.97 120.94 2oni h TYR 583 Ca 0.19 0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.17 2oni h TYR 583 Cb 0.22 0.13 -0.11 0.00 1.54 0.00 0.00 36.73 38.50 2oni h TYR 583 CO -0.18 -0.20 -0.17 0.35 -1.64 0.00 0.00 178.16 176.32 2oni h PHE 584 N -0.30 -0.40 -0.15 -3.82 3.57 -0.56 -1.75 116.94 113.54 2oni h PHE 584 Ca -0.00 0.05 -0.13 0.00 3.53 0.00 0.00 57.97 61.42 2oni h PHE 584 Cb 0.27 0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 2oni h PHE 584 CO -0.11 -0.27 -0.47 0.00 -2.23 0.00 0.00 178.31 175.23 2oni h ARG 585 N -0.04 0.37 -0.19 1.11 3.08 -0.89 -1.60 114.38 116.22 2oni h ARG 585 Ca 0.27 -0.20 -0.05 0.00 0.07 0.00 0.00 59.98 60.06 2oni h ARG 585 Cb 0.44 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 2oni h ARG 585 CO -0.59 0.77 -0.09 0.87 -1.07 0.00 0.00 179.97 179.85 2oni h LYS 586 N 0.30 0.30 0.00 0.04 6.56 -1.05 -3.12 116.57 119.61 2oni h LYS 586 Ca 0.02 -0.07 -0.11 0.00 -1.06 0.00 0.00 60.65 59.43 2oni h LYS 586 Cb 0.94 -0.04 -0.02 0.00 -0.57 0.00 0.00 32.23 32.54 2oni h LYS 586 CO 0.08 0.41 -0.63 0.87 -2.06 0.00 0.00 179.45 178.12 2oni h LYS 587 N 0.29 0.00 -6.58 3.15 1.79 -0.58 -3.44 116.57 111.20 2oni h LYS 587 Ca 0.06 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 58.00 2oni h LYS 587 Cb 0.35 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 31.03 2oni h LYS 587 CO 0.02 0.46 0.70 -0.51 -1.08 0.00 0.00 179.45 179.04 2oni s LEU 588 N -6.35 4.38 -0.12 2.94 1.43 -0.67 -5.02 118.68 115.28 2oni s LEU 588 Ca 0.03 2.34 0.00 0.00 -1.03 0.00 0.00 54.13 55.47 2oni s LEU 588 Cb 0.08 -3.59 -0.02 0.00 0.03 0.00 0.00 46.19 42.69 2oni s LEU 588 CO 0.75 -0.62 -0.12 -1.59 0.23 0.00 0.00 176.35 175.01 2oni s LYS 589 N 0.78 3.27 -0.43 1.70 0.00 -1.26 -4.98 119.74 118.81 2oni s LYS 589 Ca 0.62 -0.66 -0.18 0.00 0.00 0.00 0.00 55.97 55.75 2oni s LYS 589 Cb -0.37 -2.63 0.02 0.00 0.00 0.00 0.00 37.83 34.86 2oni s LYS 589 CO 0.32 0.30 0.51 0.15 0.00 0.00 0.00 175.35 176.63 2oni s LYS 590 N 0.14 3.15 0.43 1.78 1.02 -1.26 -5.07 119.74 119.93 2oni s LYS 590 Ca -0.06 -0.66 -0.26 0.00 0.02 0.00 0.00 55.97 55.02 2oni s LYS 590 Cb -0.15 -3.97 -0.09 0.00 -0.52 0.00 0.00 37.83 33.11 2oni s LYS 590 CO 0.04 -0.92 1.38 -2.14 -0.92 0.00 0.00 175.35 172.80 2oni s PRO 591 N 2.36 3.81 0.00 -1.68 0.02 -1.26 -4.89 135.00 133.36 2oni s PRO 591 Ca 0.15 2.33 0.18 0.00 0.02 0.00 0.00 61.00 63.68 2oni s PRO 591 Cb -0.16 -2.71 0.50 0.00 0.02 0.00 0.00 34.50 32.15 2oni s PRO 591 CO 0.15 -0.68 1.41 0.00 -0.33 0.00 0.00 177.00 177.55 2oni n ALA 592 N -0.04 2.44 0.97 -1.55 0.00 -1.26 -4.33 120.51 116.74 2oni n ALA 592 Ca 0.04 -0.83 0.05 0.00 0.00 0.00 0.00 53.44 52.70 2oni n ALA 592 Cb 0.42 -0.97 0.14 0.00 0.00 0.00 0.00 19.45 19.04 2oni n ALA 592 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2oni n ASP 593 N 0.93 1.73 -4.34 0.00 9.92 -1.26 -4.96 116.55 118.57 2oni n ASP 593 Ca 0.17 -2.03 -0.18 0.00 -0.53 0.00 0.00 54.79 52.23 2oni n ASP 593 Cb 0.43 -0.23 -0.10 0.00 -0.64 0.00 0.00 41.12 40.58 2oni n ASP 593 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 2oni s ILE 594 N -1.60 0.70 0.84 0.53 -4.36 -1.26 -5.06 121.20 110.99 2oni s ILE 594 Ca 0.21 -2.00 -0.11 0.00 -0.26 0.00 0.00 60.65 58.49 2oni s ILE 594 Cb 0.11 -2.67 0.10 0.00 1.25 0.00 0.00 42.46 41.25 2oni s ILE 594 CO 0.13 0.00 1.10 -2.84 0.24 0.00 0.00 174.94 173.57 2oni s PRO 595 N -3.99 1.69 0.38 0.37 0.02 -1.26 -4.94 135.00 127.26 2oni s PRO 595 Ca 0.37 1.11 0.09 0.00 0.02 0.00 0.00 61.00 62.60 2oni s PRO 595 Cb 0.08 -1.84 0.76 0.00 0.02 0.00 0.00 34.50 33.53 2oni s PRO 595 CO 0.14 -2.03 1.90 -0.91 -0.33 0.00 0.00 177.00 175.78 2oni h ASN 596 N -1.41 0.22 -4.40 2.53 2.35 -1.97 -3.44 115.58 109.47 2oni h ASN 596 Ca -0.46 -0.05 -0.25 0.00 -0.55 0.00 0.00 56.30 55.00 2oni h ASN 596 Cb 1.25 -0.06 -0.24 0.00 0.05 0.00 0.00 38.32 39.32 2oni h ASN 596 CO 0.51 0.40 -0.73 -0.13 -1.65 0.00 0.00 177.43 175.83 2oni s ARG 597 N -4.68 0.33 -0.24 0.81 0.52 -1.26 -3.19 118.95 111.23 2oni s ARG 597 Ca -0.05 -0.42 -0.07 0.00 -0.52 0.00 0.00 55.73 54.67 2oni s ARG 597 Cb 0.15 -0.15 -0.03 0.00 0.52 0.00 0.00 34.95 35.44 2oni s ARG 597 CO 0.73 0.03 0.06 0.12 0.02 0.00 0.00 175.30 176.26 2oni s PHE 598 N -0.81 3.08 0.51 -0.53 5.36 -0.43 -4.87 117.98 120.30 2oni s PHE 598 Ca -0.07 -0.45 0.08 0.00 -0.96 0.00 0.00 56.93 55.54 2oni s PHE 598 Cb -0.06 -2.22 0.08 0.00 -0.34 0.00 0.00 43.02 40.48 2oni s PHE 598 CO -0.00 -0.36 0.68 0.39 -1.46 0.00 0.00 175.22 174.47 2oni n GLU 599 N 4.87 0.66 -3.48 10.12 1.02 -1.26 -0.86 120.64 131.71 2oni n GLU 599 Ca -0.16 -2.81 0.00 0.00 -0.02 0.00 0.00 57.16 54.17 2oni n GLU 599 Cb 0.51 -0.16 -0.04 0.00 -0.02 0.00 0.00 31.44 31.73 2oni n GLU 599 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 2oni s LYS 601 N -4.31 0.37 0.06 3.49 -2.85 -1.26 -4.98 119.74 110.27 2oni s LYS 601 Ca 0.52 0.91 -0.00 0.00 -1.00 0.00 0.00 55.97 56.39 2oni s LYS 601 Cb -0.04 0.51 -0.04 0.00 -2.06 0.00 0.00 37.83 36.20 2oni s LYS 601 CO 0.33 -0.12 -0.04 -0.51 0.10 0.00 0.00 175.35 175.11 2oni s LEU 602 N 2.47 2.49 -0.19 2.77 1.43 -0.28 -5.01 118.68 122.36 2oni s LEU 602 Ca -0.04 -0.99 -0.06 0.00 -1.03 0.00 0.00 54.13 52.01 2oni s LEU 602 Cb -0.07 0.13 -0.03 0.00 0.03 0.00 0.00 46.19 46.24 2oni s LEU 602 CO -0.18 -0.56 0.02 -1.00 0.23 0.00 0.00 176.35 174.86 2oni s HIS 603 N -3.79 3.11 0.24 0.29 3.76 -1.26 -0.48 115.29 117.16 2oni s HIS 603 Ca 0.08 -0.23 -0.06 0.00 -0.15 0.00 0.00 55.06 54.69 2oni s HIS 603 Cb 0.07 -2.06 0.44 0.00 1.11 0.00 0.00 32.58 32.14 2oni s HIS 603 CO -0.08 -0.07 1.66 0.00 -0.85 0.00 0.00 174.74 175.40 2oni h ARG 604 N 7.08 0.18 0.00 1.40 3.08 -1.96 0.17 114.38 124.33 2oni h ARG 604 Ca -0.35 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.69 2oni h ARG 604 Cb 1.18 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.19 2oni h ARG 604 CO 0.64 0.12 0.00 0.27 -1.07 0.00 0.00 179.97 179.93 2oni n ASN 605 N -5.24 0.00 -1.40 7.04 6.94 -1.26 -3.17 115.26 118.18 2oni n ASN 605 Ca 0.13 0.34 0.03 0.00 -0.02 0.00 0.00 54.58 55.06 2oni n ASN 605 Cb 0.46 -0.41 0.08 0.00 -2.36 0.00 0.00 39.78 37.55 2oni n ASN 605 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 2oni n ASN 606 N -1.41 1.42 -0.03 0.53 5.15 0.56 -4.95 115.26 116.53 2oni n ASN 606 Ca 0.04 -2.61 -0.04 0.00 -0.60 0.00 0.00 54.58 51.37 2oni n ASN 606 Cb 0.11 -0.38 0.19 0.00 -0.53 0.00 0.00 39.78 39.16 2oni n ASN 606 CO 0.00 0.00 0.00 -0.29 1.40 0.00 0.00 177.26 178.37 2oni h ILE 607 N 5.00 1.25 0.57 -1.44 2.10 -1.44 -2.49 117.51 121.05 2oni h ILE 607 Ca -0.13 -1.15 -0.03 0.00 1.08 0.00 0.00 64.86 64.63 2oni h ILE 607 Cb 1.58 1.16 0.01 0.00 -1.09 0.00 0.00 36.82 38.48 2oni h ILE 607 CO 0.11 0.38 -0.27 0.15 -1.08 0.00 0.00 178.15 177.44 2oni h PHE 608 N 0.55 -0.70 -0.62 2.19 3.57 -1.90 -1.56 116.94 118.47 2oni h PHE 608 Ca 0.09 -0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.48 2oni h PHE 608 Cb 0.58 0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.54 2oni h PHE 608 CO 0.02 -0.38 0.01 0.93 -2.23 0.00 0.00 178.31 176.66 2oni h GLU 609 N -1.10 1.08 -0.54 1.11 4.39 -1.98 -1.85 114.58 115.69 2oni h GLU 609 Ca -0.08 -0.34 -0.03 0.00 0.34 0.00 0.00 59.36 59.25 2oni h GLU 609 Cb 0.64 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.16 2oni h GLU 609 CO 0.13 1.04 0.21 0.93 -1.16 0.00 0.00 179.01 180.16 2oni h GLU 610 N 0.98 0.81 -0.37 2.33 5.08 -1.52 -2.52 114.58 119.38 2oni h GLU 610 Ca 0.18 -0.15 -0.11 0.00 -1.00 0.00 0.00 59.36 58.27 2oni h GLU 610 Cb 0.55 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2oni h GLU 610 CO 0.03 0.71 -0.23 0.77 -1.00 0.00 0.00 179.01 179.29 2oni h SER 611 N 0.73 0.74 0.01 1.42 0.02 -1.19 -2.34 113.55 112.95 2oni h SER 611 Ca 0.18 -0.27 0.03 0.00 -0.84 0.00 0.00 61.79 60.89 2oni h SER 611 Cb 0.21 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.50 2oni h SER 611 CO -0.01 0.95 -0.24 0.22 -1.14 0.00 0.00 176.83 176.61 2oni h TYR 612 N 0.64 -0.65 -0.64 3.45 3.20 -1.21 0.07 116.97 121.83 2oni h TYR 612 Ca 0.09 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.99 2oni h TYR 612 Cb 0.73 0.29 -0.03 0.00 1.54 0.00 0.00 36.73 39.25 2oni h TYR 612 CO 0.04 -0.33 0.41 0.00 -1.64 0.00 0.00 178.16 176.64 2oni h ARG 613 N -0.39 0.82 -0.02 1.82 2.47 -1.41 -3.15 114.38 114.52 2oni h ARG 613 Ca 0.06 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.72 2oni h ARG 613 Cb 0.46 -0.18 -0.00 0.00 -1.65 0.00 0.00 29.97 28.60 2oni h ARG 613 CO -0.21 0.54 -0.02 -0.09 0.56 0.00 0.00 179.97 180.76 2oni h ARG 614 N 0.84 0.04 -1.18 0.04 9.65 -1.28 -2.17 114.38 120.33 2oni h ARG 614 Ca 0.24 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 59.10 2oni h ARG 614 Cb -0.07 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.51 2oni h ARG 614 CO -0.06 0.50 0.00 -0.89 2.80 0.00 0.00 179.97 182.32 2oni n ILE 615 N -4.83 0.18 0.00 1.20 2.08 -0.00 -3.77 119.36 114.23 2oni n ILE 615 Ca -0.08 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.23 2oni n ILE 615 Cb 0.25 -0.46 0.00 0.00 -0.75 0.00 0.00 39.64 38.69 2oni n ILE 615 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 2oni n SER 617 N 0.67 0.00 -4.70 4.38 3.41 -0.82 -4.89 113.62 111.67 2oni n SER 617 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.19 2oni n SER 617 Cb 0.12 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.04 2oni n SER 617 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2oni s VAL 618 N 0.00 4.75 -0.13 -3.33 -7.23 -1.25 -4.91 120.40 108.30 2oni s VAL 618 Ca 0.00 1.99 0.20 0.00 -1.81 0.00 0.00 61.98 62.36 2oni s VAL 618 Cb 0.00 -4.28 -0.18 0.00 0.56 0.00 0.00 36.38 32.48 2oni s VAL 618 CO 0.00 0.08 0.66 0.29 -0.31 0.00 0.00 175.10 175.82 2oni n LYS 619 N 4.47 0.64 -3.72 4.82 4.76 -1.26 -4.69 118.16 123.18 2oni n LYS 619 Ca 0.08 0.04 -0.37 0.00 -2.87 0.00 0.00 58.31 55.18 2oni n LYS 619 Cb 0.49 -1.68 -0.11 0.00 -1.84 0.00 0.00 35.03 31.89 2oni n LYS 619 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 2oni s ARG 620 N -3.16 2.13 0.55 1.97 3.52 -1.26 -4.98 118.95 117.72 2oni s ARG 620 Ca -0.05 -1.80 0.32 0.00 -0.13 0.00 0.00 55.73 54.07 2oni s ARG 620 Cb 0.10 -3.67 1.56 0.00 -1.56 0.00 0.00 34.95 31.38 2oni s ARG 620 CO 0.84 -1.10 2.08 -1.00 -0.81 0.00 0.00 175.30 175.31 2oni h PRO 621 N 8.16 0.00 -0.03 5.12 0.13 -1.89 -1.65 132.00 141.83 2oni h PRO 621 Ca -0.15 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.99 2oni h PRO 621 Cb 1.05 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.18 2oni h PRO 621 CO 0.74 0.08 0.20 -0.44 -0.23 0.00 0.00 178.00 178.35 2oni h ASP 622 N 0.00 0.00 0.43 1.44 3.32 -1.94 -2.09 116.42 117.58 2oni h ASP 622 Ca -0.00 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.92 2oni h ASP 622 Cb 0.35 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 2oni h ASP 622 CO 0.01 0.00 -0.57 -0.37 -1.72 0.00 0.00 179.24 176.59 2oni h VAL 623 N 0.00 1.39 0.00 -1.35 -1.51 -1.71 -2.55 116.25 110.52 2oni h VAL 623 Ca 0.02 -1.93 0.00 0.00 -1.23 0.00 0.00 66.70 63.56 2oni h VAL 623 Cb 0.41 1.99 0.00 0.00 -2.13 0.00 0.00 31.29 31.56 2oni h VAL 623 CO -0.00 0.56 0.26 -0.07 -1.23 0.00 0.00 177.57 177.09 2oni h LEU 624 N 0.11 0.00 -1.30 4.19 3.38 -1.56 -2.42 115.31 117.71 2oni h LEU 624 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2oni h LEU 624 Cb 1.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.79 2oni h LEU 624 CO 0.08 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.90 2oni n LYS 625 N -2.77 1.85 -1.56 1.13 5.02 -0.96 -4.84 118.16 116.04 2oni n LYS 625 Ca -0.02 -1.29 -0.31 0.00 -2.02 0.00 0.00 58.31 54.67 2oni n LYS 625 Cb 0.31 -1.41 0.06 0.00 -0.02 0.00 0.00 35.03 33.96 2oni n LYS 625 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2oni s ALA 626 N -1.74 2.52 -0.13 7.82 0.00 -0.91 -4.93 121.76 124.39 2oni s ALA 626 Ca 0.33 0.25 -0.38 0.00 0.00 0.00 0.00 51.96 52.16 2oni s ALA 626 Cb 0.18 -3.23 -0.15 0.00 0.00 0.00 0.00 23.12 19.92 2oni s ALA 626 CO 0.27 -1.35 1.70 -2.13 0.00 0.00 0.00 175.76 174.25 2oni n ARG 627 N -3.01 1.49 -2.24 0.00 3.00 -1.19 -4.35 116.66 110.36 2oni n ARG 627 Ca 0.09 0.55 -0.42 0.00 -0.00 0.00 0.00 57.85 58.06 2oni n ARG 627 Cb 0.53 -2.27 -0.03 0.00 0.00 0.00 0.00 32.46 30.69 2oni n ARG 627 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2oni s LEU 628 N 2.94 4.38 -0.57 6.15 1.02 -1.26 -1.31 118.68 130.02 2oni s LEU 628 Ca 0.93 2.25 0.05 0.00 0.02 0.00 0.00 54.13 57.38 2oni s LEU 628 Cb -0.92 -3.59 0.17 0.00 0.02 0.00 0.00 46.19 41.87 2oni s LEU 628 CO 0.57 -0.59 0.44 1.87 0.02 0.00 0.00 176.35 178.66 2oni n TRP 629 N 3.79 1.39 -3.76 0.29 -0.00 -0.04 -4.79 117.44 114.33 2oni n TRP 629 Ca 0.10 -3.86 -0.35 0.00 -0.00 0.00 0.00 57.50 53.39 2oni n TRP 629 Cb 0.43 -0.23 -0.08 0.00 -0.00 0.00 0.00 31.31 31.43 2oni n TRP 629 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 177.69 178.11 2oni s ILE 630 N -0.84 5.34 -0.03 5.87 1.01 -1.26 -4.32 121.20 126.97 2oni s ILE 630 Ca 0.29 0.17 0.05 0.00 0.00 0.00 0.00 60.65 61.15 2oni s ILE 630 Cb 0.00 -3.44 -0.01 0.00 0.01 0.00 0.00 42.46 39.03 2oni s ILE 630 CO -0.18 0.44 -0.17 -1.61 0.00 0.00 0.00 174.94 173.42 2oni s GLU 631 N 0.35 1.62 -0.16 2.79 2.02 -1.26 -4.81 118.70 119.25 2oni s GLU 631 Ca 0.07 -0.62 -0.08 0.00 0.02 0.00 0.00 54.97 54.37 2oni s GLU 631 Cb -0.11 -1.48 -0.04 0.00 0.10 0.00 0.00 34.13 32.60 2oni s GLU 631 CO -0.02 0.31 0.11 -0.06 0.02 0.00 0.00 175.26 175.62 2oni s PHE 632 N -0.17 3.43 0.00 1.61 0.40 -1.26 -1.13 117.98 120.85 2oni s PHE 632 Ca 0.01 0.34 0.00 0.00 -0.60 0.00 0.00 56.93 56.68 2oni s PHE 632 Cb -0.09 -2.03 0.00 0.00 0.51 0.00 0.00 43.02 41.40 2oni s PHE 632 CO 0.01 0.44 0.00 0.39 0.70 0.00 0.00 175.22 176.76 2oni n GLU 633 N 2.85 0.00 0.00 0.44 4.71 0.37 -4.94 120.64 124.07 2oni n GLU 633 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 56.97 2oni n GLU 633 Cb 0.53 -0.04 0.00 0.00 -1.01 0.00 0.00 31.44 30.92 2oni n GLU 633 CO 0.00 0.00 0.00 -0.85 0.09 0.00 0.00 177.13 176.37 2oni n GLU 635 N 0.00 0.00 -0.00 3.49 0.28 -1.26 -5.03 120.64 118.12 2oni n GLU 635 Ca 0.00 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 57.04 2oni n GLU 635 Cb 0.00 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 32.82 2oni n GLU 635 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2oni n LYS 636 N -0.13 2.08 -0.72 3.44 5.02 -1.26 -4.80 118.16 121.79 2oni n LYS 636 Ca 0.00 -0.04 -0.09 0.00 -2.02 0.00 0.00 58.31 56.16 2oni n LYS 636 Cb 0.00 -1.04 0.16 0.00 -0.02 0.00 0.00 35.03 34.13 2oni n LYS 636 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2oni n GLY 637 N 1.69 3.26 3.76 0.72 0.00 -1.26 -4.94 105.19 108.42 2oni n GLY 637 Ca -0.00 -0.67 -0.24 0.00 0.00 0.00 0.00 46.02 45.11 2oni n GLY 637 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2oni s LEU 638 N -2.01 3.17 0.11 0.99 1.43 -1.26 -5.11 118.68 116.00 2oni s LEU 638 Ca 0.36 -1.00 -0.31 0.00 -1.03 0.00 0.00 54.13 52.15 2oni s LEU 638 Cb 0.30 -1.55 -0.07 0.00 0.03 0.00 0.00 46.19 44.89 2oni s LEU 638 CO 0.08 -0.54 1.31 1.51 0.23 0.00 0.00 176.35 178.94 2oni s ASP 639 N -3.93 6.93 0.25 2.29 1.47 -1.26 -4.95 116.67 117.47 2oni s ASP 639 Ca 0.42 2.23 -0.01 0.00 1.18 0.00 0.00 52.55 56.36 2oni s ASP 639 Cb 0.02 -2.59 0.32 0.00 -0.34 0.00 0.00 42.92 40.33 2oni s ASP 639 CO 0.23 -0.56 1.71 1.88 0.68 0.00 0.00 175.17 179.11 2oni h TYR 640 N 6.55 0.75 -0.14 2.11 0.05 -1.95 -0.33 116.97 124.01 2oni h TYR 640 Ca -0.42 -0.14 0.00 0.00 0.05 0.00 0.00 58.73 58.21 2oni h TYR 640 Cb 1.21 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 38.75 2oni h TYR 640 CO 0.66 0.79 0.09 0.78 -1.05 0.00 0.00 178.16 179.43 2oni h GLY 641 N 0.98 0.20 0.64 3.88 0.00 -1.92 0.12 103.07 106.95 2oni h GLY 641 Ca 0.10 -0.08 0.09 0.00 0.00 0.00 0.00 47.33 47.44 2oni h GLY 641 CO 0.04 0.08 0.64 -1.33 0.00 0.00 0.00 176.54 175.96 2oni h GLY 642 N 0.17 1.56 0.94 4.60 0.00 -1.92 -0.61 103.07 107.80 2oni h GLY 642 Ca 0.05 -0.45 -0.16 0.00 0.00 0.00 0.00 47.33 46.77 2oni h GLY 642 CO -0.01 0.27 -0.55 -2.08 0.00 0.00 0.00 176.54 174.17 2oni h VAL 643 N 1.10 1.35 -0.90 4.60 2.07 -0.68 -1.34 116.25 122.45 2oni h VAL 643 Ca 0.45 -1.84 0.13 0.00 0.82 0.00 0.00 66.70 66.26 2oni h VAL 643 Cb 0.28 2.14 -0.09 0.00 -1.52 0.00 0.00 31.29 32.10 2oni h VAL 643 CO -0.21 0.56 0.51 0.00 0.02 0.00 0.00 177.57 178.46 2oni h ALA 644 N 0.49 1.36 -0.67 1.67 0.00 -0.67 0.17 119.26 121.61 2oni h ALA 644 Ca -0.04 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 2oni h ALA 644 Cb 1.19 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 2oni h ALA 644 CO 0.11 0.04 0.24 -0.09 0.00 0.00 0.00 179.25 179.55 2oni h ARG 645 N 0.77 1.00 -0.24 0.00 2.43 -0.87 -0.13 114.38 117.35 2oni h ARG 645 Ca 0.47 -0.18 -0.01 0.00 -0.81 0.00 0.00 59.98 59.45 2oni h ARG 645 Cb 0.58 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 2oni h ARG 645 CO -0.31 0.84 0.10 1.49 -1.51 0.00 0.00 179.97 180.58 2oni h GLU 646 N 0.98 0.35 -0.34 0.20 4.81 0.01 -2.14 114.58 118.44 2oni h GLU 646 Ca 0.22 -0.06 0.04 0.00 -0.13 0.00 0.00 59.36 59.43 2oni h GLU 646 Cb 0.23 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.52 2oni h GLU 646 CO -0.01 0.38 0.13 2.35 -0.73 0.00 0.00 179.01 181.12 2oni h TRP 647 N 0.24 0.23 -0.68 0.92 7.01 -0.25 0.30 115.95 123.72 2oni h TRP 647 Ca 0.08 0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.13 2oni h TRP 647 Cb 0.15 -0.05 -0.04 0.00 -2.10 0.00 0.00 29.16 27.12 2oni h TRP 647 CO -0.01 0.10 0.42 0.74 -2.79 0.00 0.00 178.44 176.90 2oni h PHE 648 N 0.28 0.79 0.33 2.65 0.04 -0.99 0.14 116.94 120.17 2oni h PHE 648 Ca 0.15 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.93 2oni h PHE 648 Cb 0.11 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 38.01 2oni h PHE 648 CO -0.13 0.45 -0.16 0.35 -0.60 0.00 0.00 178.31 178.22 2oni h PHE 649 N 0.83 -0.41 -0.39 -0.55 3.57 -0.82 -0.13 116.94 119.04 2oni h PHE 649 Ca 0.27 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.75 2oni h PHE 649 Cb 0.02 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 2oni h PHE 649 CO -0.05 -0.15 0.18 -0.07 -2.23 0.00 0.00 178.31 175.99 2oni h LEU 650 N -0.62 0.51 -0.47 0.59 3.38 -0.31 -2.22 115.31 116.18 2oni h LEU 650 Ca -0.05 -0.14 -0.12 0.00 0.09 0.00 0.00 57.88 57.67 2oni h LEU 650 Cb 0.45 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2oni h LEU 650 CO 0.07 0.51 -0.16 0.25 0.09 0.00 0.00 178.44 179.20 2oni h LEU 651 N 0.48 0.95 -0.61 1.67 5.85 -0.77 -2.79 115.31 120.09 2oni h LEU 651 Ca 0.13 -0.38 0.12 0.00 0.84 0.00 0.00 57.88 58.59 2oni h LEU 651 Cb 0.14 -0.26 -0.12 0.00 0.37 0.00 0.00 40.66 40.79 2oni h LEU 651 CO -0.02 1.11 -0.17 0.28 -0.34 0.00 0.00 178.44 179.30 2oni h SER 652 N 0.77 -0.64 -0.44 1.25 0.02 -0.95 -0.93 113.55 112.64 2oni h SER 652 Ca 0.11 0.19 0.12 0.00 -0.84 0.00 0.00 61.79 61.37 2oni h SER 652 Cb 0.73 0.40 -0.02 0.00 0.14 0.00 0.00 62.40 63.65 2oni h SER 652 CO 0.06 -0.22 0.31 0.11 -1.14 0.00 0.00 176.83 175.95 2oni h LYS 653 N -0.02 0.06 -0.94 3.45 1.57 -1.13 -1.80 116.57 117.76 2oni h LYS 653 Ca 0.29 -0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 59.00 2oni h LYS 653 Cb 0.47 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.72 2oni h LYS 653 CO -0.64 0.04 0.08 0.39 -0.57 0.00 0.00 179.45 178.75 2oni n GLU 654 N -4.43 1.68 0.00 3.15 -0.58 -0.36 -3.14 120.64 116.97 2oni n GLU 654 Ca 0.07 -0.80 0.00 0.00 -0.42 0.00 0.00 57.16 56.01 2oni n GLU 654 Cb 0.47 -1.51 0.00 0.00 -0.57 0.00 0.00 31.44 29.83 2oni n GLU 654 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 2oni n PHE 656 N 0.12 0.00 -2.52 -0.32 3.72 -0.68 -4.82 117.46 112.97 2oni n PHE 656 Ca 0.11 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.09 2oni n PHE 656 Cb 0.65 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.17 2oni n PHE 656 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 2oni s ASN 657 N 0.00 7.03 0.00 4.37 3.84 -1.19 -4.86 114.94 124.13 2oni s ASN 657 Ca 0.00 1.60 0.05 0.00 0.21 0.00 0.00 52.86 54.72 2oni s ASN 657 Cb 0.00 -2.54 0.23 0.00 -0.55 0.00 0.00 41.25 38.39 2oni s ASN 657 CO 0.00 -0.69 1.06 -2.65 -2.79 0.00 0.00 177.10 172.03 2oni n PRO 658 N 6.23 0.04 -0.08 0.43 -0.02 -1.26 -2.30 135.00 138.04 2oni n PRO 658 Ca 0.13 0.31 0.07 0.00 -2.02 0.00 0.00 63.50 61.99 2oni n PRO 658 Cb 0.46 -1.50 0.43 0.00 -0.02 0.00 0.00 33.50 32.86 2oni n PRO 658 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 2oni h TYR 659 N 0.00 0.57 0.00 6.00 3.20 -1.91 -1.18 116.97 123.65 2oni h TYR 659 Ca 0.00 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 2oni h TYR 659 Cb 0.06 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.14 2oni h TYR 659 CO 0.00 0.31 0.00 0.66 -1.64 0.00 0.00 178.16 177.49 2oni n TYR 660 N -4.47 0.00 -0.99 -3.82 4.01 -0.97 -4.92 117.16 105.99 2oni n TYR 660 Ca 0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.81 2oni n TYR 660 Cb 0.21 -0.44 0.00 0.00 -0.31 0.00 0.00 39.34 38.80 2oni n TYR 660 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2oni n GLY 661 N 0.93 0.35 0.13 2.72 0.00 -0.45 -4.88 105.19 103.98 2oni n GLY 661 Ca 0.07 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 2oni n GLY 661 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2oni n LEU 662 N 0.00 2.36 -4.57 0.99 4.77 -1.26 -3.94 117.00 115.35 2oni n LEU 662 Ca 0.00 0.23 -0.25 0.00 -0.03 0.00 0.00 56.01 55.97 2oni n LEU 662 Cb 0.17 -1.00 -0.09 0.00 -2.33 0.00 0.00 43.42 40.17 2oni n LEU 662 CO 0.00 0.66 -0.40 -0.36 -1.33 0.00 0.00 177.39 175.96 2oni s PHE 663 N -2.49 2.58 0.04 -1.77 0.40 -1.26 -1.32 117.98 114.16 2oni s PHE 663 Ca -0.29 -0.25 -0.00 0.00 -0.60 0.00 0.00 56.93 55.79 2oni s PHE 663 Cb 0.08 -1.20 -0.03 0.00 0.51 0.00 0.00 43.02 42.39 2oni s PHE 663 CO 0.65 0.59 -0.04 -1.83 0.70 0.00 0.00 175.22 175.29 2oni s GLU 664 N -3.24 0.45 0.35 0.44 -1.05 -0.12 -4.05 118.70 111.48 2oni s GLU 664 Ca 0.28 -0.86 -0.28 0.00 -0.15 0.00 0.00 54.97 53.95 2oni s GLU 664 Cb -0.07 0.10 -0.11 0.00 -0.44 0.00 0.00 34.13 33.61 2oni s GLU 664 CO 0.17 -0.06 1.39 0.71 0.95 0.00 0.00 175.26 178.41 2oni s TYR 665 N -2.38 2.85 -0.41 4.83 2.02 -1.26 -0.30 117.35 122.69 2oni s TYR 665 Ca -0.06 1.29 0.24 0.00 -0.37 0.00 0.00 57.07 58.17 2oni s TYR 665 Cb -0.03 -3.83 1.03 0.00 -0.40 0.00 0.00 41.96 38.72 2oni s TYR 665 CO -0.04 -2.38 1.74 0.66 -1.57 0.00 0.00 175.55 173.95 2oni h SER 666 N 3.30 0.00 -4.73 2.29 4.64 -1.27 -3.45 113.55 114.33 2oni h SER 666 Ca -0.50 0.00 0.16 0.00 -0.47 0.00 0.00 61.79 60.99 2oni h SER 666 Cb 1.23 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.17 2oni h SER 666 CO 0.65 0.00 0.58 0.00 -0.87 0.00 0.00 176.83 177.19 2oni s ALA 667 N -3.36 -1.87 0.32 5.18 0.00 -1.26 -5.02 121.76 115.74 2oni s ALA 667 Ca 0.04 0.98 0.02 0.00 0.00 0.00 0.00 51.96 53.00 2oni s ALA 667 Cb 0.09 0.34 0.53 0.00 0.00 0.00 0.00 23.12 24.08 2oni s ALA 667 CO 0.40 -0.75 1.86 1.79 0.00 0.00 0.00 175.76 179.06 2oni h THR 668 N 2.00 1.20 -0.20 0.00 1.35 -1.97 -2.64 112.91 112.66 2oni h THR 668 Ca -0.20 -0.77 0.00 0.00 -0.55 0.00 0.00 66.41 64.88 2oni h THR 668 Cb 1.22 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 68.46 2oni h THR 668 CO 0.28 0.28 0.00 -0.90 -0.25 0.00 0.00 175.52 174.93 2oni n ASP 669 N -4.29 1.50 -4.64 5.36 5.68 -1.26 -4.74 116.55 114.16 2oni n ASP 669 Ca 0.02 -1.78 -0.26 0.00 -0.50 0.00 0.00 54.79 52.28 2oni n ASP 669 Cb 0.23 -0.13 -0.08 0.00 -1.14 0.00 0.00 41.12 40.00 2oni n ASP 669 CO 0.00 0.00 0.00 0.20 -1.33 0.00 0.00 177.20 176.07 2oni s ASN 670 N -1.38 4.59 0.00 -1.12 0.01 -1.00 -1.64 114.94 114.40 2oni s ASN 670 Ca 0.28 -0.49 0.17 0.00 -0.71 0.00 0.00 52.86 52.11 2oni s ASN 670 Cb 0.15 -0.91 -0.03 0.00 0.41 0.00 0.00 41.25 40.87 2oni s ASN 670 CO 0.22 0.08 0.84 0.00 -1.51 0.00 0.00 177.10 176.73 2oni n TYR 671 N -0.22 0.00 -2.73 2.20 0.18 -1.26 -4.58 117.16 110.74 2oni n TYR 671 Ca -0.09 0.00 -0.37 0.00 1.88 0.00 0.00 57.90 59.32 2oni n TYR 671 Cb 0.56 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.46 2oni n TYR 671 CO 0.00 0.00 0.00 0.95 -2.08 0.00 0.00 176.86 175.73 2oni s THR 672 N -2.04 4.10 0.02 -3.48 -4.23 -1.26 -4.59 115.64 104.16 2oni s THR 672 Ca 0.13 1.71 -0.00 0.00 -1.18 0.00 0.00 61.69 62.34 2oni s THR 672 Cb 0.13 -3.93 -0.04 0.00 1.34 0.00 0.00 72.50 70.00 2oni s THR 672 CO 0.46 0.10 0.11 -0.76 -0.54 0.00 0.00 174.62 173.99 2oni s LEU 673 N -2.19 4.00 0.12 4.79 1.43 0.28 -0.81 118.68 126.30 2oni s LEU 673 Ca 0.52 0.16 0.04 0.00 -1.03 0.00 0.00 54.13 53.82 2oni s LEU 673 Cb -0.19 -2.43 -0.04 0.00 0.03 0.00 0.00 46.19 43.56 2oni s LEU 673 CO 0.25 0.24 -0.11 0.00 0.23 0.00 0.00 176.35 176.96 2oni s GLN 674 N -1.97 0.95 0.17 1.70 -2.07 0.59 -0.69 119.66 118.34 2oni s GLN 674 Ca 0.26 -1.27 -0.34 0.00 -1.82 0.00 0.00 55.36 52.20 2oni s GLN 674 Cb -0.12 -0.65 -0.14 0.00 -1.09 0.00 0.00 33.01 31.01 2oni s GLN 674 CO 0.18 0.10 1.56 -0.89 -1.32 0.00 0.00 175.29 174.91 2oni n ILE 675 N 0.32 0.09 -2.47 3.63 5.41 -1.26 -0.94 119.36 124.14 2oni n ILE 675 Ca -0.14 -0.02 -0.43 0.00 1.00 0.00 0.00 62.75 63.16 2oni n ILE 675 Cb 0.58 -1.51 -0.02 0.00 -0.71 0.00 0.00 39.64 37.98 2oni n ILE 675 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 2oni s ASN 676 N 0.84 6.77 0.58 4.38 2.47 -0.43 -4.73 114.94 124.81 2oni s ASN 676 Ca 0.78 1.25 0.34 0.00 0.42 0.00 0.00 52.86 55.65 2oni s ASN 676 Cb -0.68 -2.54 1.75 0.00 -1.45 0.00 0.00 41.25 38.33 2oni s ASN 676 CO 0.39 -0.99 2.16 1.55 -3.72 0.00 0.00 177.10 176.49 2oni h PRO 677 N 8.87 0.00 -0.54 0.43 0.13 -1.89 -0.90 132.00 138.10 2oni h PRO 677 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 2oni h PRO 677 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2oni h PRO 677 CO 1.02 0.05 0.00 0.09 -0.23 0.00 0.00 178.00 178.93 2oni n ASN 678 N -3.37 2.69 -0.35 1.44 5.03 -1.26 -4.58 115.26 114.87 2oni n ASN 678 Ca -0.02 -2.18 0.17 0.00 0.87 0.00 0.00 54.58 53.42 2oni n ASN 678 Cb 0.19 -0.39 0.38 0.00 -1.02 0.00 0.00 39.78 38.95 2oni n ASN 678 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.26 176.20 2oni h SER 679 N 2.34 0.68 0.69 6.41 4.64 -1.28 0.15 113.55 127.18 2oni h SER 679 Ca 0.00 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 2oni h SER 679 Cb 0.82 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 2oni h SER 679 CO 0.09 0.14 0.00 0.61 -0.87 0.00 0.00 176.83 176.81 2oni n GLY 680 N -1.33 -1.19 0.09 -0.77 0.00 -1.26 -1.86 105.19 98.86 2oni n GLY 680 Ca 0.26 -0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.23 2oni n GLY 680 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2oni n LEU 681 N -1.82 0.80 0.17 0.99 4.77 0.48 -3.95 117.00 118.44 2oni n LEU 681 Ca 0.03 0.37 0.04 0.00 -0.03 0.00 0.00 56.01 56.43 2oni n LEU 681 Cb 0.22 0.15 0.22 0.00 -2.33 0.00 0.00 43.42 41.69 2oni n LEU 681 CO 0.18 0.29 0.60 0.00 -1.33 0.00 0.00 177.39 177.13 2oni s ASN 683 N -6.44 -1.43 0.45 0.00 2.47 -0.78 -5.02 114.94 104.19 2oni s ASN 683 Ca 0.01 0.39 0.22 0.00 0.42 0.00 0.00 52.86 53.90 2oni s ASN 683 Cb 0.10 2.00 1.21 0.00 -1.45 0.00 0.00 41.25 43.11 2oni s ASN 683 CO 0.71 -0.26 1.83 -0.33 -3.72 0.00 0.00 177.10 175.32 2oni h GLU 684 N 7.95 0.28 -0.89 0.43 3.07 -1.84 0.38 114.58 123.96 2oni h GLU 684 Ca -0.09 -0.02 -0.25 0.00 -0.50 0.00 0.00 59.36 58.51 2oni h GLU 684 Cb 1.18 -0.06 -0.15 0.00 -0.84 0.00 0.00 28.75 28.88 2oni h GLU 684 CO 0.16 0.18 0.31 -0.25 -1.40 0.00 0.00 179.01 178.01 2oni n ASP 685 N -4.47 3.89 -0.34 1.42 8.00 -1.26 -4.68 116.55 119.11 2oni n ASP 685 Ca 0.22 -3.01 0.16 0.00 0.71 0.00 0.00 54.79 52.86 2oni n ASP 685 Cb 0.86 -0.71 0.37 0.00 -0.02 0.00 0.00 41.12 41.62 2oni n ASP 685 CO 0.00 0.00 0.00 1.12 -0.39 0.00 0.00 177.20 177.93 2oni h HIS 686 N 1.52 1.00 -0.25 1.24 2.07 -0.52 -2.06 115.15 118.16 2oni h HIS 686 Ca 0.30 0.03 -0.12 0.00 -2.85 0.00 0.00 60.37 57.74 2oni h HIS 686 Cb 2.11 -0.30 -0.01 0.00 2.57 0.00 0.00 27.41 31.78 2oni h HIS 686 CO 1.05 0.15 -0.34 -0.07 -3.07 0.00 0.00 177.93 175.65 2oni h LEU 687 N 0.65 0.55 -0.73 6.12 3.38 -1.85 -0.21 115.31 123.23 2oni h LEU 687 Ca 0.60 -0.22 0.02 0.00 0.09 0.00 0.00 57.88 58.38 2oni h LEU 687 Cb 1.09 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.64 2oni h LEU 687 CO -0.41 0.85 0.47 -1.28 0.09 0.00 0.00 178.44 178.16 2oni h SER 688 N 0.45 0.78 -0.66 -0.43 0.87 -1.76 -0.33 113.55 112.48 2oni h SER 688 Ca 0.05 -0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.54 2oni h SER 688 Cb 0.81 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.56 2oni h SER 688 CO 0.07 0.55 0.18 1.88 -0.53 0.00 0.00 176.83 178.97 2oni h TYR 689 N 0.93 1.10 -0.59 2.24 -1.99 -1.14 -0.51 116.97 117.00 2oni h TYR 689 Ca 0.28 -0.12 -0.08 0.00 2.00 0.00 0.00 58.73 60.81 2oni h TYR 689 Cb -0.02 -0.31 -0.02 0.00 2.00 0.00 0.00 36.73 38.37 2oni h TYR 689 CO -0.03 0.90 0.05 0.74 -0.00 0.00 0.00 178.16 179.82 2oni h PHE 690 N 0.98 1.05 -0.32 4.88 0.04 -0.67 0.26 116.94 123.17 2oni h PHE 690 Ca 0.21 -0.15 -0.00 0.00 2.80 0.00 0.00 57.97 60.83 2oni h PHE 690 Cb 0.34 -0.29 -0.02 0.00 2.20 0.00 0.00 35.95 38.19 2oni h PHE 690 CO 0.03 0.91 0.18 1.15 -0.60 0.00 0.00 178.31 179.98 2oni h THR 691 N 0.92 1.13 -0.20 -1.55 2.02 -0.84 0.40 112.91 114.78 2oni h THR 691 Ca 0.18 -0.32 0.05 0.00 0.77 0.00 0.00 66.41 67.09 2oni h THR 691 Cb 0.46 0.76 -0.06 0.00 -1.74 0.00 0.00 68.15 67.58 2oni h THR 691 CO 0.02 0.13 -0.15 0.15 0.37 0.00 0.00 175.52 176.03 2oni h PHE 692 N 0.40 -0.38 -0.96 3.16 3.57 -0.58 0.12 116.94 122.27 2oni h PHE 692 Ca 0.11 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.72 2oni h PHE 692 Cb 0.04 0.20 -0.07 0.00 2.79 0.00 0.00 35.95 38.92 2oni h PHE 692 CO -0.03 -0.22 0.61 0.82 -2.23 0.00 0.00 178.31 177.25 2oni h ILE 693 N -0.15 1.03 -0.36 1.41 2.04 -0.74 0.17 117.51 120.91 2oni h ILE 693 Ca 0.12 -0.37 -0.16 0.00 1.00 0.00 0.00 64.86 65.46 2oni h ILE 693 Cb 0.33 -0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.28 2oni h ILE 693 CO -0.30 0.19 -0.39 1.23 0.00 0.00 0.00 178.15 178.89 2oni h GLY 694 N 1.07 0.96 0.63 5.37 0.00 -0.30 0.24 103.07 111.04 2oni h GLY 694 Ca 0.43 -0.98 0.06 0.00 0.00 0.00 0.00 47.33 46.84 2oni h GLY 694 CO -0.20 0.88 0.32 3.21 0.00 0.00 0.00 176.54 180.76 2oni h ARG 695 N 0.72 0.58 -0.30 4.80 3.08 -0.11 0.14 114.38 123.29 2oni h ARG 695 Ca 0.06 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 2oni h ARG 695 Cb 0.97 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.88 2oni h ARG 695 CO 0.09 0.38 0.03 0.28 -1.07 0.00 0.00 179.97 179.68 2oni h VAL 696 N 0.60 1.25 -0.54 2.04 2.07 -0.53 0.16 116.25 121.28 2oni h VAL 696 Ca 0.29 -0.87 0.02 0.00 0.82 0.00 0.00 66.70 66.95 2oni h VAL 696 Cb 0.22 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 2oni h VAL 696 CO -0.20 0.28 0.34 0.00 0.02 0.00 0.00 177.57 178.01 2oni h ALA 697 N 0.86 0.69 -0.77 1.67 0.00 -0.83 0.01 119.26 120.89 2oni h ALA 697 Ca 0.09 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 2oni h ALA 697 Cb 0.39 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2oni h ALA 697 CO 0.01 0.08 0.30 0.78 0.00 0.00 0.00 179.25 180.42 2oni h GLY 698 N 0.68 1.24 1.01 0.00 0.00 -0.56 -1.85 103.07 103.60 2oni h GLY 698 Ca 0.21 -0.69 0.01 0.00 0.00 0.00 0.00 47.33 46.86 2oni h GLY 698 CO -0.07 0.65 0.63 -2.00 0.00 0.00 0.00 176.54 175.74 2oni h LEU 699 N 1.12 1.12 0.40 3.11 5.85 -0.24 -0.38 115.31 126.29 2oni h LEU 699 Ca 0.26 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.92 2oni h LEU 699 Cb 0.23 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.98 2oni h LEU 699 CO -0.02 0.82 -0.19 0.00 -0.34 0.00 0.00 178.44 178.71 2oni h ALA 700 N 1.35 -0.54 -0.15 1.25 0.00 -0.51 -0.77 119.26 119.89 2oni h ALA 700 Ca 0.35 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.15 2oni h ALA 700 Cb -0.13 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2oni h ALA 700 CO -0.07 -0.78 0.03 0.28 0.00 0.00 0.00 179.25 178.71 2oni h VAL 701 N -0.59 0.94 -0.76 0.00 2.07 -1.27 0.42 116.25 117.05 2oni h VAL 701 Ca -0.06 -0.03 0.14 0.00 0.82 0.00 0.00 66.70 67.57 2oni h VAL 701 Cb 0.45 0.83 -0.09 0.00 -1.52 0.00 0.00 31.29 30.96 2oni h VAL 701 CO 0.09 0.02 0.32 0.15 0.02 0.00 0.00 177.57 178.17 2oni h PHE 702 N 0.09 0.56 -0.04 1.57 3.57 -0.99 -1.61 116.94 120.09 2oni h PHE 702 Ca 0.07 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.60 2oni h PHE 702 Cb 0.06 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.67 2oni h PHE 702 CO -0.13 0.09 0.00 0.72 -2.23 0.00 0.00 178.31 176.77 2oni n HIS 703 N -4.97 0.03 -1.15 0.41 8.25 -0.30 -4.96 115.22 112.52 2oni n HIS 703 Ca 0.14 -0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 2oni n HIS 703 Cb 0.41 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.52 2oni n HIS 703 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2oni n GLY 704 N 1.28 0.51 3.95 -1.41 0.00 0.48 -5.05 105.19 104.95 2oni n GLY 704 Ca 0.16 -0.88 -0.25 0.00 0.00 0.00 0.00 46.02 45.06 2oni n GLY 704 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2oni s LYS 705 N -2.35 3.47 0.11 1.61 3.01 0.12 -4.99 119.74 120.72 2oni s LYS 705 Ca 0.00 -0.52 -0.01 0.00 -1.01 0.00 0.00 55.97 54.44 2oni s LYS 705 Cb 0.00 -2.85 -0.04 0.00 -1.01 0.00 0.00 37.83 33.93 2oni s LYS 705 CO 0.00 0.39 0.28 -0.51 0.51 0.00 0.00 175.35 176.01 2oni s LEU 706 N -3.68 4.32 0.44 3.17 1.43 -1.26 -4.20 118.68 118.90 2oni s LEU 706 Ca 0.37 0.33 -0.08 0.00 -1.03 0.00 0.00 54.13 53.72 2oni s LEU 706 Cb -0.10 -3.05 -0.05 0.00 0.03 0.00 0.00 46.19 43.02 2oni s LEU 706 CO 0.30 0.10 0.78 -0.76 0.23 0.00 0.00 176.35 177.00 2oni s LEU 707 N -2.76 3.74 -0.69 1.79 1.43 -1.26 -4.67 118.68 116.26 2oni s LEU 707 Ca 0.37 1.05 -0.10 0.00 -1.03 0.00 0.00 54.13 54.42 2oni s LEU 707 Cb -0.12 -3.96 0.18 0.00 0.03 0.00 0.00 46.19 42.32 2oni s LEU 707 CO 0.28 -0.48 0.58 -0.62 0.23 0.00 0.00 176.35 176.34 2oni s ASP 708 N -3.55 6.08 0.00 2.29 -1.08 -1.26 -4.64 116.67 114.51 2oni s ASP 708 Ca 0.50 -2.57 0.00 0.00 -0.52 0.00 0.00 52.55 49.95 2oni s ASP 708 Cb -0.10 -2.07 0.00 0.00 -1.46 0.00 0.00 42.92 39.29 2oni s ASP 708 CO 0.37 -0.54 0.00 0.61 0.52 0.00 0.00 175.17 176.13 2oni n GLY 709 N 4.04 3.42 3.03 2.66 0.00 -1.26 -4.40 105.19 112.67 2oni n GLY 709 Ca 0.07 -0.94 -0.24 0.00 0.00 0.00 0.00 46.02 44.91 2oni n GLY 709 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2oni s PHE 710 N -2.00 1.38 0.36 1.61 0.08 -1.26 -4.81 117.98 113.34 2oni s PHE 710 Ca 0.00 -0.46 -0.02 0.00 0.12 0.00 0.00 56.93 56.57 2oni s PHE 710 Cb 0.00 -1.00 -0.04 0.00 -0.57 0.00 0.00 43.02 41.41 2oni s PHE 710 CO 0.00 -0.22 0.60 -0.06 -0.10 0.00 0.00 175.22 175.44 2oni s PHE 711 N 0.50 3.51 0.80 0.36 0.08 -1.26 0.10 117.98 122.06 2oni s PHE 711 Ca -0.11 0.54 -0.12 0.00 0.12 0.00 0.00 56.93 57.36 2oni s PHE 711 Cb -0.14 -2.05 0.08 0.00 -0.57 0.00 0.00 43.02 40.34 2oni s PHE 711 CO 0.03 0.05 1.16 0.96 -0.10 0.00 0.00 175.22 177.31 2oni s ILE 712 N -2.34 2.47 0.22 0.64 -4.36 0.14 -4.63 121.20 113.34 2oni s ILE 712 Ca 0.43 0.19 -0.08 0.00 -0.26 0.00 0.00 60.65 60.92 2oni s ILE 712 Cb -0.10 -2.54 0.19 0.00 1.25 0.00 0.00 42.46 41.26 2oni s ILE 712 CO 0.36 -0.17 1.88 -0.09 0.24 0.00 0.00 174.94 177.16 2oni h ARG 713 N -0.99 1.03 0.00 0.37 2.43 -1.92 -1.66 114.38 113.65 2oni h ARG 713 Ca -0.45 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 2oni h ARG 713 Cb 1.27 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 2oni h ARG 713 CO 0.47 0.68 0.21 -1.35 -1.51 0.00 0.00 179.97 178.48 2oni h PRO 714 N 1.07 0.00 -0.15 0.20 0.11 -1.92 -2.26 132.00 129.05 2oni h PRO 714 Ca 0.32 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.34 2oni h PRO 714 Cb -0.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.06 2oni h PRO 714 CO -0.09 0.00 -0.26 0.35 -0.21 0.00 0.00 178.00 177.79 2oni h PHE 715 N 0.00 0.54 -0.61 0.65 3.57 -1.65 -3.24 116.94 116.21 2oni h PHE 715 Ca 0.00 -0.19 -0.10 0.00 3.53 0.00 0.00 57.97 61.21 2oni h PHE 715 Cb 0.42 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 2oni h PHE 715 CO 0.00 0.88 -0.01 1.88 -2.23 0.00 0.00 178.31 178.83 2oni h TYR 716 N 0.05 1.18 -0.05 0.41 0.05 -1.51 -3.43 116.97 113.67 2oni h TYR 716 Ca 0.01 -0.21 -0.19 0.00 0.05 0.00 0.00 58.73 58.39 2oni h TYR 716 Cb 0.84 -0.31 0.05 0.00 1.01 0.00 0.00 36.73 38.32 2oni h TYR 716 CO 0.10 1.04 0.48 1.63 -1.05 0.00 0.00 178.16 180.36 2oni n LYS 717 N -4.17 0.06 -0.76 4.88 5.02 -1.03 -4.74 118.16 117.42 2oni n LYS 717 Ca 0.03 -1.40 0.00 0.00 -2.02 0.00 0.00 58.31 54.92 2oni n LYS 717 Cb 0.36 -3.35 0.00 0.00 -0.02 0.00 0.00 35.03 32.02 2oni n LYS 717 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2oni n LEU 720 N 15.78 0.83 -2.96 -0.35 4.77 -1.26 -0.97 117.00 132.84 2oni n LEU 720 Ca 0.41 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 56.17 2oni n LEU 720 Cb 0.45 -1.62 0.04 0.00 -2.33 0.00 0.00 43.42 39.96 2oni n LEU 720 CO 0.78 -0.59 0.03 0.61 -1.33 0.00 0.00 177.39 176.89 2oni n GLY 721 N -1.04 -0.47 3.86 -0.72 0.00 -1.26 -5.00 105.19 100.56 2oni n GLY 721 Ca 0.00 0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 2oni n GLY 721 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2oni s LYS 722 N -5.72 3.72 0.36 1.61 1.02 -0.15 -5.07 119.74 115.51 2oni s LYS 722 Ca 0.32 0.15 -0.28 0.00 0.02 0.00 0.00 55.97 56.18 2oni s LYS 722 Cb -0.14 -3.11 -0.10 0.00 -0.52 0.00 0.00 37.83 33.96 2oni s LYS 722 CO 0.40 0.65 1.27 -1.14 -0.92 0.00 0.00 175.35 175.62 2oni s GLN 723 N -1.49 4.23 0.03 1.68 0.74 -1.26 -4.86 119.66 118.73 2oni s GLN 723 Ca 0.26 2.13 -0.18 0.00 0.05 0.00 0.00 55.36 57.62 2oni s GLN 723 Cb -0.14 -2.94 -0.06 0.00 1.10 0.00 0.00 33.01 30.96 2oni s GLN 723 CO 0.14 -0.26 0.51 0.42 -0.55 0.00 0.00 175.29 175.54 2oni s ILE 724 N -1.21 4.88 0.39 -2.34 -1.09 -1.26 -5.07 121.20 115.50 2oni s ILE 724 Ca 0.52 1.07 0.05 0.00 -2.23 0.00 0.00 60.65 60.05 2oni s ILE 724 Cb -0.38 -3.83 -0.02 0.00 -1.58 0.00 0.00 42.46 36.65 2oni s ILE 724 CO 0.49 0.55 0.17 0.42 -1.23 0.00 0.00 174.94 175.34 2oni s THR 725 N -0.97 0.42 0.30 2.92 -4.23 -1.26 -4.96 115.64 107.86 2oni s THR 725 Ca 0.27 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.79 2oni s THR 725 Cb -0.18 -2.36 0.15 0.00 1.34 0.00 0.00 72.50 71.44 2oni s THR 725 CO 0.16 0.00 1.83 0.25 -0.54 0.00 0.00 174.62 176.32 2oni h LEU 726 N 1.85 0.65 -1.49 4.79 5.85 -1.97 -2.58 115.31 122.41 2oni h LEU 726 Ca -0.32 -0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.21 2oni h LEU 726 Cb 1.26 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 2oni h LEU 726 CO 0.51 0.69 -0.26 0.78 -0.34 0.00 0.00 178.44 179.82 2oni h ASN 727 N 0.66 0.00 0.00 1.25 -0.26 -1.99 -3.32 115.58 111.92 2oni h ASN 727 Ca 0.14 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.87 2oni h ASN 727 Cb 0.35 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.61 2oni h ASN 727 CO 0.01 0.26 0.12 0.47 -1.06 0.00 0.00 177.43 177.23 2oni n ASP 728 N -4.10 0.82 0.00 5.81 8.00 -0.97 -4.40 116.55 121.71 2oni n ASP 728 Ca -0.02 -1.36 0.00 0.00 0.71 0.00 0.00 54.79 54.12 2oni n ASP 728 Cb 0.32 -0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.23 2oni n ASP 728 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 2oni n GLU 730 N 2.26 0.00 0.28 -1.24 2.13 -1.25 -4.20 120.64 118.62 2oni n GLU 730 Ca 0.02 0.00 0.15 0.00 0.66 0.00 0.00 57.16 57.99 2oni n GLU 730 Cb 0.10 -0.01 0.80 0.00 0.27 0.00 0.00 31.44 32.61 2oni n GLU 730 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 2oni h SER 731 N 0.00 0.00 0.13 4.31 4.64 -1.95 -3.05 113.55 117.64 2oni h SER 731 Ca 0.00 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.97 2oni h SER 731 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 2oni h SER 731 CO 0.00 0.08 -1.84 0.58 -0.87 0.00 0.00 176.83 174.78 2oni h VAL 732 N 0.00 0.75 -1.13 0.95 2.07 -1.94 -3.46 116.25 113.50 2oni h VAL 732 Ca -0.00 -2.38 -0.11 0.00 0.82 0.00 0.00 66.70 65.04 2oni h VAL 732 Cb 0.30 2.57 -0.20 0.00 -1.52 0.00 0.00 31.29 32.44 2oni h VAL 732 CO 0.01 0.84 -0.48 -0.62 0.02 0.00 0.00 177.57 177.33 2oni s ASP 733 N -7.10 -1.18 0.15 0.57 -1.08 -1.16 -4.87 116.67 102.00 2oni s ASP 733 Ca -0.21 -0.94 -0.23 0.00 -0.52 0.00 0.00 52.55 50.65 2oni s ASP 733 Cb 0.06 1.78 0.03 0.00 -1.46 0.00 0.00 42.92 43.32 2oni s ASP 733 CO 0.78 -0.17 1.63 0.28 0.52 0.00 0.00 175.17 178.20 2oni h SER 734 N 6.90 -0.82 -0.27 -0.34 0.02 -1.87 -0.27 113.55 116.91 2oni h SER 734 Ca 0.05 0.14 0.06 0.00 -0.84 0.00 0.00 61.79 61.21 2oni h SER 734 Cb 1.16 0.38 -0.07 0.00 0.14 0.00 0.00 62.40 64.01 2oni h SER 734 CO 0.11 -0.29 -0.25 -0.08 -1.14 0.00 0.00 176.83 175.18 2oni h GLU 735 N -0.26 -0.24 -0.44 3.45 4.57 -1.97 0.22 114.58 119.91 2oni h GLU 735 Ca 0.14 0.02 -0.11 0.00 -1.18 0.00 0.00 59.36 58.23 2oni h GLU 735 Cb 0.47 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.11 2oni h GLU 735 CO -0.40 -0.16 -0.15 -0.92 -1.18 0.00 0.00 179.01 176.21 2oni h TYR 736 N -0.25 0.99 -0.58 0.92 3.20 -1.95 -2.10 116.97 117.20 2oni h TYR 736 Ca 0.14 -0.23 0.07 0.00 3.14 0.00 0.00 58.73 61.85 2oni h TYR 736 Cb 0.47 -0.24 -0.06 0.00 1.54 0.00 0.00 36.73 38.45 2oni h TYR 736 CO -0.42 1.00 0.27 -0.92 -1.64 0.00 0.00 178.16 176.45 2oni h TYR 737 N 0.71 0.49 -0.10 -3.82 3.20 -0.76 -1.32 116.97 115.37 2oni h TYR 737 Ca 0.11 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.97 2oni h TYR 737 Cb 0.70 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.82 2oni h TYR 737 CO 0.05 0.20 -0.10 -0.91 -1.64 0.00 0.00 178.16 175.77 2oni h ASN 738 N 0.51 0.14 -0.08 -2.11 2.35 -0.36 0.14 115.58 116.16 2oni h ASN 738 Ca 0.27 -0.02 -0.06 0.00 -0.55 0.00 0.00 56.30 55.94 2oni h ASN 738 Cb 0.23 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.57 2oni h ASN 738 CO -0.22 0.26 -0.17 0.28 -1.65 0.00 0.00 177.43 175.93 2oni h SER 739 N 0.14 0.30 -0.26 5.81 0.02 -0.96 -0.75 113.55 117.85 2oni h SER 739 Ca 0.03 -0.56 -0.12 0.00 -0.84 0.00 0.00 61.79 60.30 2oni h SER 739 Cb 0.27 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 2oni h SER 739 CO 0.02 0.80 -0.25 -0.07 -1.14 0.00 0.00 176.83 176.19 2oni h LEU 740 N -0.20 0.77 -0.66 5.07 3.38 -0.98 -1.77 115.31 120.92 2oni h LEU 740 Ca 0.00 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.65 2oni h LEU 740 Cb 0.75 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 2oni h LEU 740 CO 0.04 0.99 0.28 0.50 0.09 0.00 0.00 178.44 180.33 2oni h LYS 741 N 0.65 0.97 -0.42 1.13 1.63 -1.00 -1.01 116.57 118.51 2oni h LYS 741 Ca 0.08 -0.17 0.05 0.00 -0.85 0.00 0.00 60.65 59.77 2oni h LYS 741 Cb 0.76 -0.16 -0.05 0.00 -0.60 0.00 0.00 32.23 32.19 2oni h LYS 741 CO 0.06 0.80 0.16 2.35 -3.45 0.00 0.00 179.45 179.37 2oni h TRP 742 N 0.92 0.28 -0.42 1.91 7.01 -0.67 -1.97 115.95 123.02 2oni h TRP 742 Ca 0.22 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.24 2oni h TRP 742 Cb 0.18 -0.06 -0.02 0.00 -2.10 0.00 0.00 29.16 27.16 2oni h TRP 742 CO 0.01 0.11 0.26 0.82 -2.79 0.00 0.00 178.44 176.85 2oni h ILE 743 N 0.33 1.13 -0.53 2.65 2.04 -0.98 -1.52 117.51 120.63 2oni h ILE 743 Ca 0.20 -0.29 0.10 0.00 1.00 0.00 0.00 64.86 65.87 2oni h ILE 743 Cb 0.18 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 2oni h ILE 743 CO -0.19 0.13 0.36 0.25 0.00 0.00 0.00 178.15 178.70 2oni h LEU 744 N 0.56 0.25 -0.88 1.44 6.46 -0.86 -3.13 115.31 119.14 2oni h LEU 744 Ca 0.15 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.92 2oni h LEU 744 Cb -0.01 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 39.87 2oni h LEU 744 CO -0.03 0.15 -0.49 -0.62 -0.62 0.00 0.00 178.44 176.83 2oni n GLU 745 N -4.46 1.24 -4.01 1.25 1.02 -0.77 -4.97 120.64 109.94 2oni n GLU 745 Ca 0.09 -0.87 -0.08 0.00 -0.02 0.00 0.00 57.16 56.28 2oni n GLU 745 Cb 0.40 -1.43 -0.09 0.00 -0.02 0.00 0.00 31.44 30.30 2oni n GLU 745 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2oni s ASN 746 N -2.40 0.32 -0.14 1.62 0.01 -0.64 -5.09 114.94 108.62 2oni s ASN 746 Ca 0.16 -0.89 -0.29 0.00 -0.71 0.00 0.00 52.86 51.13 2oni s ASN 746 Cb 0.17 0.27 -0.05 0.00 0.41 0.00 0.00 41.25 42.04 2oni s ASN 746 CO 0.56 -0.68 1.96 -0.62 -1.51 0.00 0.00 177.10 176.81 2oni s ASP 747 N -2.92 6.04 0.16 -1.22 -1.08 -1.26 -4.68 116.67 111.71 2oni s ASP 747 Ca 0.09 2.05 0.25 0.00 -0.52 0.00 0.00 52.55 54.42 2oni s ASP 747 Cb 0.07 -2.52 0.92 0.00 -1.46 0.00 0.00 42.92 39.92 2oni s ASP 747 CO -0.09 -1.47 1.76 -0.81 0.52 0.00 0.00 175.17 175.09 2oni n PRO 748 N 8.05 0.17 -0.34 4.34 -0.04 -1.26 -4.40 135.00 141.52 2oni n PRO 748 Ca 0.23 0.22 0.15 0.00 -0.04 0.00 0.00 63.50 64.07 2oni n PRO 748 Cb 0.44 -1.73 0.37 0.00 -0.04 0.00 0.00 33.50 32.54 2oni n PRO 748 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2oni h THR 749 N 0.00 0.67 0.00 0.52 1.35 -1.90 0.96 112.91 114.50 2oni h THR 749 Ca 0.00 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.63 2oni h THR 749 Cb 0.55 -0.06 0.00 0.00 -1.73 0.00 0.00 68.15 66.91 2oni h THR 749 CO 0.00 0.12 0.00 1.05 -0.25 0.00 0.00 175.52 176.44 2oni h GLU 750 N 0.67 0.00 0.00 4.72 4.11 -1.94 -2.55 114.58 119.59 2oni h GLU 750 Ca 0.58 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.01 2oni h GLU 750 Cb 1.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.27 2oni h GLU 750 CO -0.36 0.00 0.00 -0.07 0.07 0.00 0.00 179.01 178.65 2oni h LEU 751 N 0.00 0.00 -2.79 3.06 3.38 -1.12 -3.48 115.31 114.36 2oni h LEU 751 Ca 0.00 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.51 2oni h LEU 751 Cb 0.05 0.00 0.04 0.00 0.09 0.00 0.00 40.66 40.85 2oni h LEU 751 CO 0.00 0.00 -0.92 -0.67 0.09 0.00 0.00 178.44 176.94 2oni n ASP 752 N -2.93 -3.64 -1.97 -0.43 2.03 -0.96 -5.16 116.55 103.49 2oni n ASP 752 Ca 0.04 -1.01 0.00 0.00 0.52 0.00 0.00 54.79 54.34 2oni n ASP 752 Cb 0.47 -3.28 0.00 0.00 -0.72 0.00 0.00 41.12 37.59 2oni n ASP 752 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2oni n LEU 753 N -4.28 0.00 -3.10 -2.67 4.77 -1.26 -5.00 117.00 105.45 2oni n LEU 753 Ca -0.17 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.48 2oni n LEU 753 Cb 0.62 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.70 2oni n LEU 753 CO 0.70 -0.49 0.72 0.49 -1.33 0.00 0.00 177.39 177.47 2oni n PHE 755 N -1.09 3.45 -3.97 -1.77 3.72 -0.67 -0.48 117.46 116.65 2oni n PHE 755 Ca 0.00 -3.24 -0.08 0.00 -0.05 0.00 0.00 57.45 54.08 2oni n PHE 755 Cb 0.00 -0.74 -0.09 0.00 -0.94 0.00 0.00 39.48 37.72 2oni n PHE 755 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2oni s ILE 757 N -3.71 0.13 -0.04 0.00 -1.16 -0.45 -4.90 121.20 111.07 2oni s ILE 757 Ca 0.04 -1.04 -0.27 0.00 -0.51 0.00 0.00 60.65 58.87 2oni s ILE 757 Cb 0.05 -0.49 -0.03 0.00 0.61 0.00 0.00 42.46 42.60 2oni s ILE 757 CO -0.10 -0.57 0.87 -1.81 -2.81 0.00 0.00 174.94 170.52 2oni s ASP 758 N -1.71 7.20 -0.17 4.50 1.01 -1.26 -0.49 116.67 125.75 2oni s ASP 758 Ca -0.12 1.45 0.01 0.00 0.71 0.00 0.00 52.55 54.60 2oni s ASP 758 Cb -0.07 -2.50 0.02 0.00 1.01 0.00 0.00 42.92 41.38 2oni s ASP 758 CO -0.02 -0.22 -0.19 -0.70 0.21 0.00 0.00 175.17 174.25 2oni s GLU 759 N 1.01 2.86 -0.25 8.23 2.12 0.10 -4.95 118.70 127.82 2oni s GLU 759 Ca 0.46 -0.78 -0.10 0.00 0.36 0.00 0.00 54.97 54.91 2oni s GLU 759 Cb -0.19 -2.48 -0.04 0.00 0.26 0.00 0.00 34.13 31.67 2oni s GLU 759 CO 0.23 -0.21 0.14 -2.00 -0.54 0.00 0.00 175.26 172.88 2oni s GLU 760 N 1.31 3.92 -0.23 4.30 2.12 -1.26 -0.50 118.70 128.36 2oni s GLU 760 Ca 0.05 -0.34 0.01 0.00 0.36 0.00 0.00 54.97 55.04 2oni s GLU 760 Cb -0.13 -3.51 0.06 0.00 0.26 0.00 0.00 34.13 30.81 2oni s GLU 760 CO -0.12 -0.07 -0.05 -0.80 -0.54 0.00 0.00 175.26 173.68 2oni s ASN 761 N 1.40 3.81 -1.43 -1.70 0.02 0.14 -4.79 114.94 112.38 2oni s ASN 761 Ca 0.07 -1.17 -0.06 0.00 -1.02 0.00 0.00 52.86 50.68 2oni s ASN 761 Cb -0.15 -1.14 0.04 0.00 0.02 0.00 0.00 41.25 40.02 2oni s ASN 761 CO 0.07 -0.24 0.72 0.49 0.02 0.00 0.00 177.10 178.15 2oni n PHE 762 N 4.69 -1.94 -0.41 2.20 3.72 -1.26 -2.01 117.46 122.45 2oni n PHE 762 Ca -0.12 0.83 0.00 0.00 -0.05 0.00 0.00 57.45 58.12 2oni n PHE 762 Cb 0.44 -3.97 0.00 0.00 -0.94 0.00 0.00 39.48 35.01 2oni n PHE 762 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2oni n GLY 763 N -1.70 1.52 3.60 1.37 0.00 -1.26 -5.03 105.19 103.70 2oni n GLY 763 Ca -0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 2oni n GLY 763 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2oni s GLN 764 N -0.24 3.35 -0.16 1.61 0.74 -0.85 -5.11 119.66 119.00 2oni s GLN 764 Ca 0.00 -0.45 -0.08 0.00 0.05 0.00 0.00 55.36 54.88 2oni s GLN 764 Cb 0.00 -2.88 -0.04 0.00 1.10 0.00 0.00 33.01 31.19 2oni s GLN 764 CO 0.00 0.48 0.11 0.99 -0.55 0.00 0.00 175.29 176.32 2oni s THR 765 N -0.26 5.24 -0.09 -0.34 2.01 -1.26 0.23 115.64 121.17 2oni s THR 765 Ca 0.05 0.12 0.02 0.00 0.31 0.00 0.00 61.69 62.19 2oni s THR 765 Cb -0.12 -3.33 0.01 0.00 0.01 0.00 0.00 72.50 69.07 2oni s THR 765 CO 0.02 0.52 -0.14 -0.31 -0.69 0.00 0.00 174.62 174.03 2oni s TYR 766 N -0.25 1.69 -0.15 4.92 1.51 0.34 -4.95 117.35 120.47 2oni s TYR 766 Ca 0.10 -0.71 -0.29 0.00 -1.01 0.00 0.00 57.07 55.16 2oni s TYR 766 Cb -0.12 -1.24 -0.01 0.00 -0.11 0.00 0.00 41.96 40.49 2oni s TYR 766 CO 0.01 -0.37 1.08 -1.14 -1.11 0.00 0.00 175.55 174.02 2oni s GLN 767 N 0.84 4.34 -0.04 -0.62 0.74 -1.26 0.01 119.66 123.66 2oni s GLN 767 Ca -0.11 1.45 0.07 0.00 0.05 0.00 0.00 55.36 56.83 2oni s GLN 767 Cb -0.15 -3.60 -0.01 0.00 1.10 0.00 0.00 33.01 30.34 2oni s GLN 767 CO 0.01 -0.48 -0.25 0.14 -0.55 0.00 0.00 175.29 174.16 2oni s VAL 768 N 2.60 2.02 0.03 1.34 -7.23 0.36 -4.96 120.40 114.55 2oni s VAL 768 Ca 0.49 -1.07 -0.30 0.00 -1.81 0.00 0.00 61.98 59.29 2oni s VAL 768 Cb -0.19 -1.70 -0.04 0.00 0.56 0.00 0.00 36.38 35.01 2oni s VAL 768 CO 0.14 0.57 1.11 -1.81 -0.31 0.00 0.00 175.10 174.80 2oni s ASP 769 N -0.31 7.19 0.39 4.85 1.01 -1.26 -1.34 116.67 127.19 2oni s ASP 769 Ca 0.01 1.85 0.19 0.00 0.71 0.00 0.00 52.55 55.32 2oni s ASP 769 Cb -0.12 -2.57 0.72 0.00 1.01 0.00 0.00 42.92 41.95 2oni s ASP 769 CO 0.02 -0.40 1.75 -0.07 0.21 0.00 0.00 175.17 176.68 2oni h LEU 770 N 6.93 0.00 -7.31 1.23 3.38 -1.47 -3.46 115.31 114.61 2oni h LEU 770 Ca -0.41 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.53 2oni h LEU 770 Cb 1.21 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.84 2oni h LEU 770 CO 0.79 0.35 0.05 -1.59 0.09 0.00 0.00 178.44 178.14 2oni s LYS 771 N -3.63 1.21 0.14 1.13 -2.85 -1.26 -5.00 119.74 109.48 2oni s LYS 771 Ca 0.00 -0.65 -0.35 0.00 -1.00 0.00 0.00 55.97 53.97 2oni s LYS 771 Cb 0.11 0.52 -0.15 0.00 -2.06 0.00 0.00 37.83 36.26 2oni s LYS 771 CO 0.68 -0.50 1.51 -2.30 0.10 0.00 0.00 175.35 174.83 2oni n PRO 772 N -0.30 1.84 -2.29 1.78 -0.02 -1.26 0.82 135.00 135.57 2oni n PRO 772 Ca -0.15 0.66 -0.15 0.00 -2.02 0.00 0.00 63.50 61.84 2oni n PRO 772 Cb 0.64 -2.39 -0.02 0.00 -0.02 0.00 0.00 33.50 31.71 2oni n PRO 772 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2oni n ASN 773 N 3.16 -4.58 -0.17 2.55 5.15 -1.26 -4.83 115.26 115.28 2oni n ASN 773 Ca 0.17 0.15 0.18 0.00 -0.60 0.00 0.00 54.58 54.49 2oni n ASN 773 Cb 0.26 -3.90 0.54 0.00 -0.53 0.00 0.00 39.78 36.15 2oni n ASN 773 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 2oni h GLY 774 N 0.00 0.65 2.00 8.20 0.00 0.25 -1.62 103.07 112.55 2oni h GLY 774 Ca -0.36 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 46.81 2oni h GLY 774 CO 0.44 0.03 0.00 -1.14 0.00 0.00 0.00 176.54 175.87 2oni n SER 775 N -4.47 0.52 -0.22 0.19 3.41 -1.24 -0.88 113.62 110.93 2oni n SER 775 Ca 0.16 0.74 0.02 0.00 -0.26 0.00 0.00 58.87 59.52 2oni n SER 775 Cb 0.61 -0.81 0.04 0.00 -0.26 0.00 0.00 64.21 63.79 2oni n SER 775 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2oni n GLU 776 N -2.19 1.18 -1.45 4.33 1.02 -0.61 -4.78 120.64 118.14 2oni n GLU 776 Ca -0.01 -1.22 -0.02 0.00 -0.02 0.00 0.00 57.16 55.89 2oni n GLU 776 Cb 0.04 -1.10 0.00 0.00 -0.02 0.00 0.00 31.44 30.37 2oni n GLU 776 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2oni n ILE 777 N 0.10 0.00 -4.30 -3.67 5.41 -0.06 -5.02 119.36 111.81 2oni n ILE 777 Ca 0.04 -0.18 -0.27 0.00 1.00 0.00 0.00 62.75 63.33 2oni n ILE 777 Cb 0.21 -0.70 -0.17 0.00 -0.71 0.00 0.00 39.64 38.28 2oni n ILE 777 CO 0.00 0.00 0.00 0.68 0.00 0.00 0.00 176.55 177.23 2oni s VAL 779 N 0.20 1.29 0.42 1.39 -7.23 0.37 -1.67 120.40 115.17 2oni s VAL 779 Ca 0.04 -0.51 0.03 0.00 -1.81 0.00 0.00 61.98 59.74 2oni s VAL 779 Cb -0.00 -1.21 -0.04 0.00 0.56 0.00 0.00 36.38 35.68 2oni s VAL 779 CO 0.03 0.40 0.06 0.42 -0.31 0.00 0.00 175.10 175.70 2oni s THR 780 N 1.14 1.09 0.54 5.32 -4.23 -1.26 -4.28 115.64 113.97 2oni s THR 780 Ca -0.04 -2.00 0.27 0.00 -1.18 0.00 0.00 61.69 58.73 2oni s THR 780 Cb -0.14 -2.49 0.41 0.00 1.34 0.00 0.00 72.50 71.61 2oni s THR 780 CO -0.03 0.00 1.98 0.78 -0.54 0.00 0.00 174.62 176.81 2oni h ASN 781 N 1.74 0.00 0.57 3.99 4.21 -1.96 -1.34 115.58 122.80 2oni h ASN 781 Ca -0.40 0.00 -0.20 0.00 1.21 0.00 0.00 56.30 56.90 2oni h ASN 781 Cb 1.27 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.46 2oni h ASN 781 CO 0.68 0.00 -0.91 -0.33 -1.29 0.00 0.00 177.43 175.58 2oni h GLU 782 N 0.00 0.21 0.00 0.81 3.07 -2.02 -3.37 114.58 113.28 2oni h GLU 782 Ca 0.26 -0.24 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 2oni h GLU 782 Cb 1.09 0.07 0.00 0.00 -0.84 0.00 0.00 28.75 29.07 2oni h GLU 782 CO -0.00 0.98 0.00 0.27 -1.40 0.00 0.00 179.01 178.86 2oni n ASN 783 N -3.65 1.35 0.20 1.42 0.23 -1.08 -4.76 115.26 108.97 2oni n ASN 783 Ca -0.04 -1.49 0.05 0.00 -0.53 0.00 0.00 54.58 52.56 2oni n ASN 783 Cb 0.83 0.00 0.48 0.00 -2.08 0.00 0.00 39.78 39.01 2oni n ASN 783 CO 0.00 0.00 0.00 0.07 -0.93 0.00 0.00 177.26 176.40 2oni h LYS 784 N 0.00 0.06 -0.32 -3.83 2.10 -1.42 -1.75 116.57 111.42 2oni h LYS 784 Ca 0.00 -0.01 -0.13 0.00 -2.00 0.00 0.00 60.65 58.51 2oni h LYS 784 Cb 0.36 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.67 2oni h LYS 784 CO 0.00 0.22 -0.32 0.00 -2.00 0.00 0.00 179.45 177.35 2oni h ARG 785 N 0.06 0.69 -0.41 0.07 3.08 -1.87 -1.58 114.38 114.42 2oni h ARG 785 Ca 0.01 -0.32 -0.03 0.00 0.07 0.00 0.00 59.98 59.71 2oni h ARG 785 Cb 0.32 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 2oni h ARG 785 CO 0.02 0.92 0.14 1.49 -1.07 0.00 0.00 179.97 181.47 2oni h GLU 786 N 0.59 0.64 -0.25 0.04 4.81 -1.83 -1.35 114.58 117.22 2oni h GLU 786 Ca 0.06 -0.13 0.06 0.00 -0.13 0.00 0.00 59.36 59.22 2oni h GLU 786 Cb 0.84 -0.10 -0.06 0.00 0.63 0.00 0.00 28.75 30.06 2oni h GLU 786 CO 0.07 0.62 -0.17 -0.92 -0.73 0.00 0.00 179.01 177.88 2oni h TYR 787 N 0.53 -0.42 -0.39 0.92 3.20 -1.09 -1.45 116.97 118.26 2oni h TYR 787 Ca 0.13 0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.05 2oni h TYR 787 Cb 0.24 0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.72 2oni h TYR 787 CO 0.01 -0.24 0.25 0.82 -1.64 0.00 0.00 178.16 177.35 2oni h ILE 788 N -0.15 1.07 -0.94 1.81 2.04 -1.16 -2.35 117.51 117.83 2oni h ILE 788 Ca 0.14 -0.17 0.05 0.00 1.00 0.00 0.00 64.86 65.88 2oni h ILE 788 Cb 0.36 0.53 -0.06 0.00 -0.74 0.00 0.00 36.82 36.91 2oni h ILE 788 CO -0.35 0.09 0.61 -0.78 0.00 0.00 0.00 178.15 177.72 2oni h ASP 789 N 0.50 0.98 -0.22 1.72 3.58 -0.96 -2.22 116.42 119.80 2oni h ASP 789 Ca 0.15 0.01 -0.07 0.00 0.42 0.00 0.00 57.03 57.53 2oni h ASP 789 Cb -0.03 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 40.81 2oni h ASP 789 CO -0.05 0.64 -0.14 -0.07 -2.88 0.00 0.00 179.24 176.74 2oni h LEU 790 N 1.13 0.50 -0.32 2.28 3.38 -1.03 0.54 115.31 121.79 2oni h LEU 790 Ca 0.40 -0.44 0.07 0.00 0.09 0.00 0.00 57.88 58.00 2oni h LEU 790 Cb 0.11 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.66 2oni h LEU 790 CO -0.16 0.83 -0.11 0.58 0.09 0.00 0.00 178.44 179.67 2oni h VAL 791 N 0.17 0.62 -0.57 1.22 2.07 -1.38 0.13 116.25 118.52 2oni h VAL 791 Ca 0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.57 2oni h VAL 791 Cb 0.66 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 2oni h VAL 791 CO 0.04 0.00 0.37 0.40 0.02 0.00 0.00 177.57 178.39 2oni h ILE 792 N -0.04 1.16 -0.88 4.57 2.04 -1.20 0.16 117.51 123.32 2oni h ILE 792 Ca 0.16 -0.32 0.03 0.00 1.00 0.00 0.00 64.86 65.74 2oni h ILE 792 Cb 0.28 0.34 -0.05 0.00 -0.74 0.00 0.00 36.82 36.65 2oni h ILE 792 CO -0.35 0.16 0.57 1.56 0.00 0.00 0.00 178.15 180.09 2oni h GLN 793 N 0.77 1.07 -0.38 2.37 4.20 -0.45 -1.66 115.11 121.03 2oni h GLN 793 Ca 0.21 -0.06 -0.16 0.00 0.06 0.00 0.00 58.65 58.69 2oni h GLN 793 Cb -0.06 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.47 2oni h GLN 793 CO -0.04 0.71 -0.41 2.35 -0.67 0.00 0.00 178.83 180.77 2oni h TRP 794 N 1.10 1.13 -0.03 2.96 7.01 -0.02 -0.79 115.95 127.31 2oni h TRP 794 Ca 0.35 -0.35 -0.16 0.00 2.11 0.00 0.00 58.89 60.85 2oni h TRP 794 Cb 0.01 -0.23 -0.01 0.00 -2.10 0.00 0.00 29.16 26.82 2oni h TRP 794 CO -0.02 1.18 -0.69 -0.09 -2.79 0.00 0.00 178.44 176.03 2oni h ARG 795 N 0.76 0.18 0.00 2.65 9.65 -0.25 -3.40 114.38 123.96 2oni h ARG 795 Ca 0.06 -0.14 0.00 0.00 -1.10 0.00 0.00 59.98 58.79 2oni h ARG 795 Cb 1.01 0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.62 2oni h ARG 795 CO 0.10 0.80 -0.53 1.19 2.80 0.00 0.00 179.97 184.32 2oni n PHE 796 N -3.78 0.00 0.03 2.20 3.72 -0.67 -5.00 117.46 113.96 2oni n PHE 796 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 2oni n PHE 796 Cb 0.68 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.22 2oni n PHE 796 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 2oni n VAL 797 N -0.97 0.58 0.21 -4.37 0.31 -0.40 -4.84 118.33 108.85 2oni n VAL 797 Ca 0.00 0.19 0.10 0.00 -0.01 0.00 0.00 64.34 64.62 2oni n VAL 797 Cb 0.00 -1.41 0.32 0.00 -0.91 0.00 0.00 33.84 31.84 2oni n VAL 797 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 2oni h ASN 798 N 0.00 0.00 0.42 4.52 4.21 -1.55 -2.78 115.58 120.40 2oni h ASN 798 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 2oni h ASN 798 Cb 0.40 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.60 2oni h ASN 798 CO 0.00 0.20 -0.35 0.54 -1.29 0.00 0.00 177.43 176.52 2oni n ARG 799 N -3.23 0.36 -0.23 0.81 1.74 -1.26 -4.37 116.66 110.48 2oni n ARG 799 Ca 0.02 -0.20 0.02 0.00 -0.77 0.00 0.00 57.85 56.92 2oni n ARG 799 Cb 0.51 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 30.48 2oni n ARG 799 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 2oni n VAL 800 N -1.15 0.55 -0.05 1.55 0.24 -1.05 -4.74 118.33 113.69 2oni n VAL 800 Ca 0.09 -0.64 -0.07 0.00 -2.04 0.00 0.00 64.34 61.68 2oni n VAL 800 Cb 0.34 0.44 0.10 0.00 -1.47 0.00 0.00 33.84 33.25 2oni n VAL 800 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 2oni h GLN 801 N 0.00 0.68 -0.37 7.34 1.08 -1.75 -2.81 115.11 119.27 2oni h GLN 801 Ca 0.00 -0.30 -0.09 0.00 -1.45 0.00 0.00 58.65 56.82 2oni h GLN 801 Cb 1.11 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.51 2oni h GLN 801 CO 0.00 0.89 -0.10 0.87 -0.95 0.00 0.00 178.83 179.54 2oni h LYS 802 N 0.58 0.73 0.00 1.46 1.57 -1.93 0.31 116.57 119.29 2oni h LYS 802 Ca 0.07 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 2oni h LYS 802 Cb 0.80 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.07 2oni h LYS 802 CO 0.07 0.88 0.00 1.04 -0.57 0.00 0.00 179.45 180.87 2oni n GLN 803 N -4.36 0.00 0.00 3.15 3.00 -1.06 -0.86 117.38 117.25 2oni n GLN 803 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 2oni n GLN 803 Cb 0.36 -0.98 0.00 0.00 0.00 0.00 0.00 30.24 29.62 2oni n GLN 803 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 2oni n ASN 805 N -0.24 0.00 -0.17 1.08 3.02 0.11 -0.37 115.26 118.69 2oni n ASN 805 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.46 2oni n ASN 805 Cb 0.00 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.18 2oni n ASN 805 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2oni h ALA 806 N 0.00 0.64 -0.59 5.41 0.00 -1.23 -0.62 119.26 122.88 2oni h ALA 806 Ca 0.00 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.74 2oni h ALA 806 Cb 0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 2oni h ALA 806 CO 0.00 0.33 0.34 0.35 0.00 0.00 0.00 179.25 180.27 2oni h PHE 807 N 0.66 0.62 -0.06 0.00 3.57 -0.81 -2.61 116.94 118.31 2oni h PHE 807 Ca 0.15 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.57 2oni h PHE 807 Cb 0.33 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 2oni h PHE 807 CO 0.02 0.33 -0.42 -0.07 -2.23 0.00 0.00 178.31 175.93 2oni h LEU 808 N 0.65 0.14 -0.16 0.59 3.38 -1.73 -0.21 115.31 117.97 2oni h LEU 808 Ca 0.25 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 2oni h LEU 808 Cb 0.10 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2oni h LEU 808 CO -0.14 0.55 0.09 -0.33 0.09 0.00 0.00 178.44 178.71 2oni h GLU 809 N 0.11 0.22 -0.01 1.13 5.08 -0.83 -1.04 114.58 119.24 2oni h GLU 809 Ca 0.01 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2oni h GLU 809 Cb 0.80 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.00 2oni h GLU 809 CO 0.06 0.20 0.01 0.78 -1.00 0.00 0.00 179.01 179.06 2oni h GLY 810 N 0.17 0.02 0.54 -3.84 0.00 -1.29 -2.63 103.07 96.05 2oni h GLY 810 Ca 0.06 -0.01 0.09 0.00 0.00 0.00 0.00 47.33 47.47 2oni h GLY 810 CO -0.01 0.01 0.46 -2.75 0.00 0.00 0.00 176.54 174.25 2oni h PHE 811 N -0.09 0.84 -0.01 5.60 3.57 -0.79 -2.07 116.94 124.00 2oni h PHE 811 Ca 0.01 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2oni h PHE 811 Cb 0.11 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 38.59 2oni h PHE 811 CO -0.04 0.35 -0.05 0.25 -2.23 0.00 0.00 178.31 176.59 2oni n THR 812 N -4.75 0.00 0.25 4.41 -2.24 -0.40 -1.21 114.28 110.34 2oni n THR 812 Ca 0.13 -0.13 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 2oni n THR 812 Cb 0.27 0.08 0.63 0.00 -2.10 0.00 0.00 70.33 69.21 2oni n THR 812 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2oni h GLU 813 N 1.22 0.00 0.00 -0.78 5.08 -0.98 -3.31 114.58 115.80 2oni h GLU 813 Ca 0.00 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.13 2oni h GLU 813 Cb 0.33 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 2oni h GLU 813 CO 0.00 0.14 -1.87 1.28 -1.00 0.00 0.00 179.01 177.56 2oni n LEU 814 N -3.42 1.81 -4.02 1.33 4.32 -0.85 -4.73 117.00 111.46 2oni n LEU 814 Ca -0.01 -0.05 -0.30 0.00 -0.02 0.00 0.00 56.01 55.64 2oni n LEU 814 Cb 0.33 -0.21 -0.17 0.00 -1.62 0.00 0.00 43.42 41.75 2oni n LEU 814 CO 0.31 0.58 -0.48 -0.76 -1.22 0.00 0.00 177.39 175.81 2oni s LEU 815 N -5.52 1.65 0.21 2.23 1.43 -0.35 -5.00 118.68 113.33 2oni s LEU 815 Ca -0.15 -0.46 -0.32 0.00 -1.03 0.00 0.00 54.13 52.16 2oni s LEU 815 Cb 0.05 -1.14 -0.13 0.00 0.03 0.00 0.00 46.19 44.99 2oni s LEU 815 CO 0.42 -0.05 1.48 -2.65 0.23 0.00 0.00 176.35 175.78 2oni n PRO 816 N 4.70 2.12 0.28 1.29 -0.02 -1.26 -3.98 135.00 138.12 2oni n PRO 816 Ca -0.17 0.76 0.11 0.00 -2.02 0.00 0.00 63.50 62.18 2oni n PRO 816 Cb 0.50 -2.46 0.76 0.00 -0.02 0.00 0.00 33.50 32.28 2oni n PRO 816 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 2oni h ILE 817 N 3.27 0.79 0.00 4.25 6.09 -1.95 -2.27 117.51 127.70 2oni h ILE 817 Ca -0.45 -0.01 -0.02 0.00 -1.37 0.00 0.00 64.86 63.01 2oni h ILE 817 Cb 1.26 1.01 -0.00 0.00 0.47 0.00 0.00 36.82 39.56 2oni h ILE 817 CO 0.81 0.00 -0.09 -2.24 -3.07 0.00 0.00 178.15 173.56 2oni h ASP 818 N 0.00 0.00 0.02 2.19 2.03 -1.98 -2.20 116.42 116.48 2oni h ASP 818 Ca -0.00 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2oni h ASP 818 Cb 0.01 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.51 2oni h ASP 818 CO 0.00 0.09 -0.01 -0.07 -1.03 0.00 0.00 179.24 178.22 2oni h LEU 819 N 0.00 -0.02 -2.27 0.15 3.38 -1.78 -3.29 115.31 111.49 2oni h LEU 819 Ca -0.00 -0.74 0.01 0.00 0.09 0.00 0.00 57.88 57.24 2oni h LEU 819 Cb 0.69 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 2oni h LEU 819 CO 0.01 0.77 0.03 -0.29 0.09 0.00 0.00 178.44 179.05 2oni h ILE 820 N -0.85 0.69 0.00 1.22 6.09 -1.44 -1.62 117.51 121.60 2oni h ILE 820 Ca -0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 2oni h ILE 820 Cb 0.76 0.97 0.00 0.00 0.47 0.00 0.00 36.82 39.02 2oni h ILE 820 CO 0.00 0.00 0.00 0.29 -3.07 0.00 0.00 178.15 175.37 2oni n LYS 821 N -4.11 0.81 0.24 2.19 5.02 -0.83 -2.06 118.16 119.41 2oni n LYS 821 Ca -0.02 0.01 0.11 0.00 -2.02 0.00 0.00 58.31 56.39 2oni n LYS 821 Cb 0.13 -1.50 0.57 0.00 -0.02 0.00 0.00 35.03 34.20 2oni n LYS 821 CO 0.00 0.00 0.00 -0.84 -0.52 0.00 0.00 177.40 176.04 2oni h ILE 822 N 0.00 0.54 -3.42 -0.18 3.07 -1.40 -3.43 117.51 112.68 2oni h ILE 822 Ca 0.00 -0.89 -0.54 0.00 1.55 0.00 0.00 64.86 64.97 2oni h ILE 822 Cb 0.05 1.61 -0.04 0.00 -0.27 0.00 0.00 36.82 38.17 2oni h ILE 822 CO 0.00 0.18 0.02 -0.36 -1.05 0.00 0.00 178.15 176.94 2oni s PHE 823 N -3.84 3.68 0.34 0.16 0.08 -0.88 -5.05 117.98 112.47 2oni s PHE 823 Ca -0.01 1.27 -0.06 0.00 0.12 0.00 0.00 56.93 58.26 2oni s PHE 823 Cb 0.11 -2.52 0.08 0.00 -0.57 0.00 0.00 43.02 40.12 2oni s PHE 823 CO 0.61 0.43 0.43 -0.40 -0.10 0.00 0.00 175.22 176.19 2oni n ASP 824 N 1.00 -0.26 0.09 1.36 5.68 -1.26 -4.83 116.55 118.33 2oni n ASP 824 Ca -0.05 -1.07 -0.04 0.00 -0.50 0.00 0.00 54.79 53.13 2oni n ASP 824 Cb 0.51 -0.34 -0.04 0.00 -1.14 0.00 0.00 41.12 40.11 2oni n ASP 824 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 2oni h GLU 825 N 0.00 0.00 -0.10 0.11 9.09 -1.99 -0.30 114.58 121.39 2oni h GLU 825 Ca -0.14 0.00 -0.17 0.00 0.05 0.00 0.00 59.36 59.10 2oni h GLU 825 Cb 0.40 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.51 2oni h GLU 825 CO 0.10 0.85 -0.59 -0.91 0.05 0.00 0.00 179.01 178.51 2oni h ASN 826 N 0.00 0.69 -0.85 3.06 2.35 -1.98 -2.59 115.58 116.28 2oni h ASN 826 Ca -0.01 -0.65 -0.01 0.00 -0.55 0.00 0.00 56.30 55.08 2oni h ASN 826 Cb 1.58 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 39.70 2oni h ASN 826 CO 0.11 1.23 0.50 -0.33 -1.65 0.00 0.00 177.43 177.29 2oni h GLU 827 N 0.20 1.16 -0.43 0.81 5.08 -1.93 -2.64 114.58 116.83 2oni h GLU 827 Ca -0.04 -0.11 -0.09 0.00 -1.00 0.00 0.00 59.36 58.12 2oni h GLU 827 Cb 1.23 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 2oni h GLU 827 CO 0.12 0.83 -0.08 1.25 -1.00 0.00 0.00 179.01 180.13 2oni h LEU 828 N 1.18 0.82 -0.18 1.33 5.85 -1.00 -0.38 115.31 122.93 2oni h LEU 828 Ca 0.30 -0.35 0.02 0.00 0.84 0.00 0.00 57.88 58.70 2oni h LEU 828 Cb -0.03 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 2oni h LEU 828 CO -0.05 0.97 0.03 -0.08 -0.34 0.00 0.00 178.44 178.97 2oni h GLU 829 N 0.65 0.10 -0.45 1.25 4.81 -1.42 -2.90 114.58 116.62 2oni h GLU 829 Ca 0.11 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 2oni h GLU 829 Cb 0.60 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.94 2oni h GLU 829 CO 0.04 0.07 0.25 1.25 -0.73 0.00 0.00 179.01 179.88 2oni h LEU 830 N 0.11 0.56 0.00 1.64 5.85 -1.30 0.45 115.31 122.62 2oni h LEU 830 Ca 0.08 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2oni h LEU 830 Cb 0.07 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 40.96 2oni h LEU 830 CO -0.11 0.49 0.00 -0.11 -0.34 0.00 0.00 178.44 178.37 2oni n LEU 831 N -4.70 0.00 0.00 2.25 7.94 -0.17 -1.33 117.00 121.00 2oni n LEU 831 Ca 0.01 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.91 2oni n LEU 831 Cb 0.08 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.03 2oni n LEU 831 CO 0.36 0.00 0.07 0.00 -1.11 0.00 0.00 177.39 176.71 2oni n GLY 834 N -0.15 0.19 3.57 0.00 0.00 -0.44 -4.74 105.19 103.62 2oni n GLY 834 Ca 0.00 -0.90 -0.32 0.00 0.00 0.00 0.00 46.02 44.80 2oni n GLY 834 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2oni s LEU 835 N 0.00 3.05 0.31 0.99 1.43 -1.26 -4.50 118.68 118.71 2oni s LEU 835 Ca 0.00 -0.20 -0.21 0.00 -1.03 0.00 0.00 54.13 52.68 2oni s LEU 835 Cb 0.00 -1.76 -0.09 0.00 0.03 0.00 0.00 46.19 44.37 2oni s LEU 835 CO 0.00 0.28 0.85 -0.83 0.23 0.00 0.00 176.35 176.87 2oni s GLY 836 N -1.42 2.59 0.16 -3.19 0.00 -1.26 -5.06 107.32 99.13 2oni s GLY 836 Ca 0.17 0.32 -0.24 0.00 0.00 0.00 0.00 44.72 44.96 2oni s GLY 836 CO 0.07 0.66 1.00 -0.35 0.00 0.00 0.00 173.10 174.49 2oni s ASP 837 N -1.84 -0.11 -0.08 1.64 -1.08 -1.26 -4.80 116.67 109.15 2oni s ASP 837 Ca 0.51 -0.48 0.04 0.00 -0.52 0.00 0.00 52.55 52.10 2oni s ASP 837 Cb -0.15 0.48 -0.02 0.00 -1.46 0.00 0.00 42.92 41.77 2oni s ASP 837 CO 0.20 -0.90 -0.19 -0.69 0.52 0.00 0.00 175.17 174.10 2oni s VAL 838 N -2.90 2.58 -0.68 1.11 1.01 -1.26 -5.06 120.40 115.21 2oni s VAL 838 Ca 0.15 -0.87 -0.27 0.00 0.00 0.00 0.00 61.98 60.99 2oni s VAL 838 Cb -0.01 -2.00 0.02 0.00 0.00 0.00 0.00 36.38 34.38 2oni s VAL 838 CO 0.03 0.56 1.42 -0.62 0.00 0.00 0.00 175.10 176.49 2oni s ASP 839 N -0.16 5.98 0.35 3.32 -1.08 -1.26 -4.92 116.67 118.89 2oni s ASP 839 Ca -0.02 -0.15 0.06 0.00 -0.52 0.00 0.00 52.55 51.92 2oni s ASP 839 Cb -0.14 -2.55 0.65 0.00 -1.46 0.00 0.00 42.92 39.42 2oni s ASP 839 CO 0.04 -1.92 1.87 0.58 0.52 0.00 0.00 175.17 176.26 2oni h VAL 840 N 6.27 1.20 0.04 1.11 2.07 -1.98 -1.59 116.25 123.37 2oni h VAL 840 Ca -0.27 -0.84 -0.00 0.00 0.82 0.00 0.00 66.70 66.40 2oni h VAL 840 Cb 1.08 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.94 2oni h VAL 840 CO 1.25 0.28 -0.02 -1.13 0.02 0.00 0.00 177.57 177.96 2oni h ASN 841 N 0.39 -0.05 -0.67 0.57 -1.24 -1.99 0.17 115.58 112.76 2oni h ASN 841 Ca 0.08 -0.13 0.03 0.00 0.71 0.00 0.00 56.30 56.99 2oni h ASN 841 Cb 0.39 0.01 -0.04 0.00 0.73 0.00 0.00 38.32 39.40 2oni h ASN 841 CO 0.02 0.10 0.41 -0.78 -1.29 0.00 0.00 177.43 175.89 2oni h ASP 842 N -0.20 0.66 0.39 1.15 3.58 -1.97 -0.20 116.42 119.83 2oni h ASP 842 Ca -0.01 0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.44 2oni h ASP 842 Cb 0.18 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.07 2oni h ASP 842 CO 0.01 0.45 -0.46 -0.25 -2.88 0.00 0.00 179.24 176.11 2oni h TRP 843 N 0.79 -1.27 -0.68 0.28 2.91 -1.15 -2.77 115.95 114.06 2oni h TRP 843 Ca 0.27 0.01 0.02 0.00 1.13 0.00 0.00 58.89 60.33 2oni h TRP 843 Cb 0.05 0.50 -0.04 0.00 -0.51 0.00 0.00 29.16 29.16 2oni h TRP 843 CO -0.05 -0.61 0.43 -0.09 -1.03 0.00 0.00 178.44 177.09 2oni h ARG 844 N -0.88 0.84 0.00 2.65 2.43 -0.53 -2.61 114.38 116.27 2oni h ARG 844 Ca -0.04 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.08 2oni h ARG 844 Cb 0.79 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 30.15 2oni h ARG 844 CO -0.10 0.56 -0.03 1.96 -1.51 0.00 0.00 179.97 180.84 2oni h GLN 845 N 0.87 0.00 -0.07 0.20 4.20 -0.92 -2.97 115.11 116.41 2oni h GLN 845 Ca 0.26 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.94 2oni h GLN 845 Cb -0.04 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 2oni h GLN 845 CO -0.08 0.03 -0.34 0.72 -0.67 0.00 0.00 178.83 178.49 2oni n HIS 846 N -3.26 0.23 -4.11 2.96 8.25 -0.99 -5.01 115.22 113.28 2oni n HIS 846 Ca -0.02 -1.43 -0.31 0.00 -0.26 0.00 0.00 57.72 55.71 2oni n HIS 846 Cb 0.18 -0.28 -0.07 0.00 1.12 0.00 0.00 29.99 30.93 2oni n HIS 846 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2oni s SER 847 N -3.02 5.28 0.06 0.41 0.01 -1.13 -4.06 113.70 111.25 2oni s SER 847 Ca 0.38 -0.07 0.08 0.00 1.31 0.00 0.00 55.95 57.65 2oni s SER 847 Cb 0.36 -1.35 -0.03 0.00 0.21 0.00 0.00 66.02 65.21 2oni s SER 847 CO -0.04 0.19 -0.21 -0.63 0.41 0.00 0.00 173.24 172.96 2oni s ILE 848 N -1.32 2.55 0.01 1.44 -1.09 -0.07 -5.01 121.20 117.72 2oni s ILE 848 Ca 0.26 -1.34 0.07 0.00 -2.23 0.00 0.00 60.65 57.41 2oni s ILE 848 Cb -0.12 -2.07 -0.03 0.00 -1.58 0.00 0.00 42.46 38.66 2oni s ILE 848 CO 0.19 0.29 -0.21 -0.31 -1.23 0.00 0.00 174.94 173.67 2oni s TYR 849 N -0.93 2.49 0.04 3.97 2.02 -1.26 -1.37 117.35 122.31 2oni s TYR 849 Ca 0.14 -0.31 -0.01 0.00 -0.37 0.00 0.00 57.07 56.53 2oni s TYR 849 Cb -0.10 -1.49 -0.03 0.00 -0.40 0.00 0.00 41.96 39.93 2oni s TYR 849 CO 0.05 0.15 -0.03 0.15 -1.57 0.00 0.00 175.55 174.31 2oni s LYS 850 N -1.09 0.53 -1.49 -0.62 1.02 -0.35 -4.84 119.74 112.90 2oni s LYS 850 Ca 0.12 -1.06 -0.06 0.00 0.02 0.00 0.00 55.97 54.99 2oni s LYS 850 Cb -0.10 0.19 0.02 0.00 -0.52 0.00 0.00 37.83 37.41 2oni s LYS 850 CO 0.02 -0.10 0.66 -1.71 -0.92 0.00 0.00 175.35 173.31 2oni n ASN 851 N 0.49 -5.68 0.00 2.83 5.15 -1.26 -1.78 115.26 115.01 2oni n ASN 851 Ca -0.17 -0.35 0.00 0.00 -0.60 0.00 0.00 54.58 53.47 2oni n ASN 851 Cb 0.59 -4.59 0.00 0.00 -0.53 0.00 0.00 39.78 35.26 2oni n ASN 851 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2oni n GLY 852 N -1.52 1.42 3.91 8.20 0.00 -1.26 -4.37 105.19 111.57 2oni n GLY 852 Ca -0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.67 2oni n GLY 852 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2oni s TYR 853 N -2.09 3.37 0.09 1.61 2.02 -1.19 -5.03 117.35 116.13 2oni s TYR 853 Ca 0.00 0.80 -0.26 0.00 -0.37 0.00 0.00 57.07 57.23 2oni s TYR 853 Cb 0.00 -2.69 0.08 0.00 -0.40 0.00 0.00 41.96 38.95 2oni s TYR 853 CO 0.00 -0.74 0.95 0.00 -1.57 0.00 0.00 175.55 174.19 2oni h PRO 855 N 2.00 0.58 -0.00 0.00 0.11 -1.98 -2.38 132.00 130.33 2oni h PRO 855 Ca -0.24 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2oni h PRO 855 Cb 1.23 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2oni h PRO 855 CO 0.27 0.38 -0.03 0.27 -0.21 0.00 0.00 178.00 178.68 2oni n ASN 856 N -4.89 0.11 -4.72 -2.05 2.04 -1.26 -4.40 115.26 100.09 2oni n ASN 856 Ca 0.19 -0.27 -0.42 0.00 -0.44 0.00 0.00 54.58 53.64 2oni n ASN 856 Cb 0.50 -0.22 -0.03 0.00 -2.53 0.00 0.00 39.78 37.50 2oni n ASN 856 CO 0.00 0.00 0.00 -2.28 -0.44 0.00 0.00 177.26 174.54 2oni s HIS 857 N -2.54 2.90 0.32 -2.53 2.46 -0.90 -4.83 115.29 110.17 2oni s HIS 857 Ca 0.29 0.38 0.09 0.00 0.47 0.00 0.00 55.06 56.29 2oni s HIS 857 Cb 0.20 -4.10 0.90 0.00 -0.13 0.00 0.00 32.58 29.45 2oni s HIS 857 CO 0.47 -4.16 1.67 -1.00 -2.47 0.00 0.00 174.74 169.24 2oni h PRO 858 N 6.90 0.31 -0.60 2.88 0.13 -1.91 -1.44 132.00 138.26 2oni h PRO 858 Ca -0.43 -0.02 -0.08 0.00 -0.87 0.00 0.00 66.00 64.60 2oni h PRO 858 Cb 1.20 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 2oni h PRO 858 CO 0.95 0.21 0.06 0.28 -0.23 0.00 0.00 178.00 179.26 2oni h VAL 859 N 0.32 1.26 -0.14 1.56 2.07 -1.90 -0.26 116.25 119.15 2oni h VAL 859 Ca 0.64 -1.05 -0.05 0.00 0.82 0.00 0.00 66.70 67.07 2oni h VAL 859 Cb 1.37 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 31.86 2oni h VAL 859 CO -0.60 0.39 -0.10 0.40 0.02 0.00 0.00 177.57 177.67 2oni h ILE 860 N 0.94 1.33 -0.78 4.57 1.08 -1.59 0.00 117.51 123.07 2oni h ILE 860 Ca 0.18 -1.20 -0.01 0.00 -0.39 0.00 0.00 64.86 63.44 2oni h ILE 860 Cb 0.46 1.83 -0.04 0.00 -3.07 0.00 0.00 36.82 36.00 2oni h ILE 860 CO 0.02 0.35 0.43 1.56 -0.69 0.00 0.00 178.15 179.82 2oni h GLN 861 N -0.05 1.08 -0.40 2.37 4.20 -1.23 -1.56 115.11 119.52 2oni h GLN 861 Ca 0.03 -0.12 0.02 0.00 0.06 0.00 0.00 58.65 58.64 2oni h GLN 861 Cb 0.60 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 28.14 2oni h GLN 861 CO 0.03 0.80 0.22 -1.49 -0.67 0.00 0.00 178.83 177.71 2oni h TRP 862 N 1.07 0.40 0.24 2.96 6.55 -1.02 -2.62 115.95 123.53 2oni h TRP 862 Ca 0.27 0.01 0.01 0.00 0.95 0.00 0.00 58.89 60.14 2oni h TRP 862 Cb 0.03 -0.12 -0.03 0.00 -0.86 0.00 0.00 29.16 28.17 2oni h TRP 862 CO 0.00 0.22 -0.38 0.35 -1.05 0.00 0.00 178.44 177.59 2oni h PHE 863 N 0.44 -1.04 -0.80 0.49 3.57 -0.32 -0.35 116.94 118.93 2oni h PHE 863 Ca 0.16 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.65 2oni h PHE 863 Cb 0.04 0.42 -0.04 0.00 2.79 0.00 0.00 35.95 39.17 2oni h PHE 863 CO -0.09 -0.50 0.39 -1.49 -2.23 0.00 0.00 178.31 174.40 2oni h TRP 864 N -0.69 1.14 -0.66 0.41 4.06 -1.34 -0.29 115.95 118.59 2oni h TRP 864 Ca -0.00 -0.05 -0.02 0.00 2.06 0.00 0.00 58.89 60.88 2oni h TRP 864 Cb 0.67 -0.36 -0.03 0.00 -1.00 0.00 0.00 29.16 28.44 2oni h TRP 864 CO -0.27 0.82 0.33 -0.22 -3.56 0.00 0.00 178.44 175.53 2oni h LYS 865 N 1.14 0.94 -0.83 0.49 1.63 -1.26 -0.29 116.57 118.39 2oni h LYS 865 Ca 0.28 -0.13 -0.01 0.00 -0.85 0.00 0.00 60.65 59.94 2oni h LYS 865 Cb 0.10 -0.17 -0.04 0.00 -0.60 0.00 0.00 32.23 31.52 2oni h LYS 865 CO -0.04 0.74 0.49 0.00 -3.45 0.00 0.00 179.45 177.19 2oni h ALA 866 N 1.15 1.06 -0.38 5.00 0.00 -0.36 -0.19 119.26 125.54 2oni h ALA 866 Ca 0.23 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2oni h ALA 866 Cb 0.10 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2oni h ALA 866 CO -0.03 0.54 0.20 0.28 0.00 0.00 0.00 179.25 180.24 2oni h VAL 867 N 1.15 1.16 -0.39 0.00 2.07 -0.87 -2.47 116.25 116.90 2oni h VAL 867 Ca 0.30 -0.43 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 2oni h VAL 867 Cb -0.02 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 2oni h VAL 867 CO -0.05 0.17 0.12 0.25 0.02 0.00 0.00 177.57 178.08 2oni h LEU 868 N 0.48 0.52 -4.62 2.57 5.85 -0.58 -3.46 115.31 116.08 2oni h LEU 868 Ca 0.13 -0.06 -0.25 0.00 0.84 0.00 0.00 57.88 58.54 2oni h LEU 868 Cb 0.09 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 2oni h LEU 868 CO -0.02 0.50 0.93 0.18 -0.34 0.00 0.00 178.44 179.69 2oni n LEU 869 N -4.35 4.60 -4.82 2.25 4.77 -0.13 -5.04 117.00 114.29 2oni n LEU 869 Ca 0.02 -2.75 -0.24 0.00 -0.03 0.00 0.00 56.01 53.02 2oni n LEU 869 Cb 0.17 -1.10 -0.05 0.00 -2.33 0.00 0.00 43.42 40.11 2oni n LEU 869 CO 0.38 1.09 -0.19 1.51 -1.33 0.00 0.00 177.39 178.85 2oni s ASP 871 N 2.51 5.54 0.22 -1.43 1.47 -1.26 -5.10 116.67 118.62 2oni s ASP 871 Ca 0.49 -0.19 -0.16 0.00 1.18 0.00 0.00 52.55 53.86 2oni s ASP 871 Cb 0.20 -1.43 0.24 0.00 -0.34 0.00 0.00 42.92 41.58 2oni s ASP 871 CO -0.01 0.01 1.46 0.00 0.68 0.00 0.00 175.17 177.31 2oni n ALA 872 N -0.81 -0.10 -0.33 2.11 0.00 -1.26 -1.72 120.51 118.40 2oni n ALA 872 Ca -0.08 0.94 0.06 0.00 0.00 0.00 0.00 53.44 54.36 2oni n ALA 872 Cb 0.56 -0.43 0.21 0.00 0.00 0.00 0.00 19.45 19.80 2oni n ALA 872 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2oni h GLU 873 N 0.00 0.84 -0.24 0.00 4.81 -2.00 -1.34 114.58 116.65 2oni h GLU 873 Ca 0.33 -0.05 -0.19 0.00 -0.13 0.00 0.00 59.36 59.32 2oni h GLU 873 Cb 0.57 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.76 2oni h GLU 873 CO -0.94 0.56 -0.59 0.87 -0.73 0.00 0.00 179.01 178.18 2oni h LYS 874 N 0.87 0.82 -0.45 1.92 1.57 -1.76 -1.16 116.57 118.39 2oni h LYS 874 Ca 0.46 -0.56 0.07 0.00 -1.87 0.00 0.00 60.65 58.74 2oni h LYS 874 Cb 0.48 0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.81 2oni h LYS 874 CO -0.27 1.19 0.11 0.00 -0.57 0.00 0.00 179.45 179.91 2oni h ARG 875 N 0.58 0.25 -0.68 3.15 3.08 -1.17 0.49 114.38 120.08 2oni h ARG 875 Ca -0.01 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.04 2oni h ARG 875 Cb 1.20 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 31.16 2oni h ARG 875 CO 0.13 0.16 0.45 0.82 -1.07 0.00 0.00 179.97 180.46 2oni h ILE 876 N 0.26 1.17 -0.70 2.04 2.04 -1.19 -0.69 117.51 120.43 2oni h ILE 876 Ca 0.22 -0.31 -0.05 0.00 1.00 0.00 0.00 64.86 65.71 2oni h ILE 876 Cb 0.26 0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 36.48 2oni h ILE 876 CO -0.26 0.17 0.23 -0.09 0.00 0.00 0.00 178.15 178.19 2oni h ARG 877 N 0.91 1.06 -0.75 2.37 2.43 -0.75 -1.26 114.38 118.40 2oni h ARG 877 Ca 0.25 -0.21 -0.00 0.00 -0.81 0.00 0.00 59.98 59.20 2oni h ARG 877 Cb -0.09 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 29.26 2oni h ARG 877 CO -0.06 0.90 0.45 1.25 -1.51 0.00 0.00 179.97 181.00 2oni h LEU 878 N 1.03 0.90 -0.54 3.80 5.85 0.59 0.19 115.31 127.13 2oni h LEU 878 Ca 0.23 -0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.79 2oni h LEU 878 Cb 0.27 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 2oni h LEU 878 CO -0.01 0.69 -0.02 0.25 -0.34 0.00 0.00 178.44 179.01 2oni h LEU 879 N 1.02 0.95 -0.29 2.25 5.85 -0.79 -1.62 115.31 122.69 2oni h LEU 879 Ca 0.27 -0.32 -0.08 0.00 0.84 0.00 0.00 57.88 58.59 2oni h LEU 879 Cb -0.04 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.73 2oni h LEU 879 CO -0.05 1.04 -0.13 -0.61 -0.34 0.00 0.00 178.44 178.35 2oni h GLN 880 N 0.84 0.60 -0.70 1.25 4.15 -0.99 0.72 115.11 120.98 2oni h GLN 880 Ca 0.15 -0.26 0.15 0.00 0.77 0.00 0.00 58.65 59.46 2oni h GLN 880 Cb 0.56 -0.02 -0.10 0.00 0.21 0.00 0.00 27.48 28.13 2oni h GLN 880 CO 0.03 0.83 0.16 0.35 -1.93 0.00 0.00 178.83 178.27 2oni h PHE 881 N 0.35 0.24 0.18 3.99 3.57 -0.35 0.13 116.94 125.05 2oni h PHE 881 Ca 0.07 0.04 -0.33 0.00 3.53 0.00 0.00 57.97 61.28 2oni h PHE 881 Cb 0.65 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.40 2oni h PHE 881 CO 0.06 -0.07 -1.59 0.28 -2.23 0.00 0.00 178.31 174.76 2oni h VAL 882 N 0.26 1.12 0.00 1.41 2.07 -1.16 -3.40 116.25 116.56 2oni h VAL 882 Ca 0.38 -2.69 0.00 0.00 0.82 0.00 0.00 66.70 65.22 2oni h VAL 882 Cb 0.63 2.84 0.00 0.00 -1.52 0.00 0.00 31.29 33.24 2oni h VAL 882 CO -0.48 0.84 -1.18 0.35 0.02 0.00 0.00 177.57 177.12 2oni n THR 883 N -3.57 0.00 0.00 2.57 -2.24 0.23 -3.79 114.28 107.48 2oni n THR 883 Ca -0.19 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 2oni n THR 883 Cb 1.07 0.62 0.00 0.00 -2.10 0.00 0.00 70.33 69.92 2oni n THR 883 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2oni n GLY 884 N 1.46 1.52 3.03 3.38 0.00 0.44 -4.76 105.19 110.26 2oni n GLY 884 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2oni n GLY 884 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2oni s THR 885 N -2.39 0.13 -2.20 2.61 -1.32 -1.24 -4.43 115.64 106.79 2oni s THR 885 Ca 0.00 -1.05 0.19 0.00 -1.21 0.00 0.00 61.69 59.61 2oni s THR 885 Cb 0.00 -0.56 0.43 0.00 -1.51 0.00 0.00 72.50 70.85 2oni s THR 885 CO 0.00 -0.58 1.43 -1.54 -2.21 0.00 0.00 174.62 171.73 2oni n SER 886 N 1.23 2.30 -4.89 8.08 3.41 -0.65 -2.96 113.62 120.14 2oni n SER 886 Ca -0.22 -1.88 -0.33 0.00 -0.26 0.00 0.00 58.87 56.19 2oni n SER 886 Cb 0.56 -0.21 -0.05 0.00 -0.26 0.00 0.00 64.21 64.25 2oni n SER 886 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2oni s ARG 887 N -1.58 3.58 -0.09 4.33 1.70 -1.26 -4.67 118.95 120.96 2oni s ARG 887 Ca 0.33 -0.13 -0.02 0.00 -0.47 0.00 0.00 55.73 55.44 2oni s ARG 887 Cb 0.18 -2.98 -0.03 0.00 -0.57 0.00 0.00 34.95 31.54 2oni s ARG 887 CO 0.25 0.57 -0.01 0.08 -1.08 0.00 0.00 175.30 175.11 2oni s VAL 888 N -1.48 4.20 0.00 4.99 1.01 -1.26 -5.06 120.40 122.81 2oni s VAL 888 Ca 0.34 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.04 2oni s VAL 888 Cb -0.13 -2.76 0.00 0.00 0.00 0.00 0.00 36.38 33.49 2oni s VAL 888 CO 0.22 0.60 0.00 -2.65 0.00 0.00 0.00 175.10 173.26 2oni n PRO 889 N 2.26 0.58 0.00 2.72 -0.02 -1.26 -4.86 135.00 134.41 2oni n PRO 889 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 2oni n PRO 889 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.01 2oni n PRO 889 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2oni n ASN 891 N 0.00 0.00 0.00 2.55 4.13 -1.26 -4.71 115.26 115.97 2oni n ASN 891 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 2oni n ASN 891 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 2oni n ASN 891 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2oni n GLY 892 N 0.00 -1.82 0.16 7.41 0.00 -1.26 -4.53 105.19 105.15 2oni n GLY 892 Ca 0.00 -1.74 0.13 0.00 0.00 0.00 0.00 46.02 44.41 2oni n GLY 892 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2oni h PHE 893 N 0.00 0.00 0.00 1.61 0.04 -1.84 -2.58 116.94 114.17 2oni h PHE 893 Ca 0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 2oni h PHE 893 Cb 0.00 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.15 2oni h PHE 893 CO 0.00 0.00 -0.08 0.00 -0.60 0.00 0.00 178.31 177.63 2oni h ALA 894 N 2.23 1.25 -0.50 2.45 0.00 -1.88 -2.53 119.26 120.28 2oni h ALA 894 Ca 0.00 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 2oni h ALA 894 Cb 0.46 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.15 2oni h ALA 894 CO 0.00 0.10 0.11 0.39 0.00 0.00 0.00 179.25 179.85 2oni n GLU 895 N -3.54 2.94 -2.15 0.00 1.02 -0.97 -4.93 120.64 113.00 2oni n GLU 895 Ca -0.02 -3.03 -0.41 0.00 -0.02 0.00 0.00 57.16 53.68 2oni n GLU 895 Cb 0.20 -2.00 -0.03 0.00 -0.02 0.00 0.00 31.44 29.60 2oni n GLU 895 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2oni s LEU 896 N -3.02 4.43 0.01 -4.62 2.96 -0.95 -4.86 118.68 112.63 2oni s LEU 896 Ca 0.48 2.57 0.08 0.00 -0.22 0.00 0.00 54.13 57.04 2oni s LEU 896 Cb 0.40 -3.63 -0.03 0.00 0.50 0.00 0.00 46.19 43.43 2oni s LEU 896 CO 0.08 -0.54 -0.23 -0.31 -1.32 0.00 0.00 176.35 174.03 2oni s TYR 897 N -0.56 2.41 0.00 5.38 1.51 -1.26 -0.88 117.35 123.95 2oni s TYR 897 Ca 0.53 -0.37 0.00 0.00 -1.01 0.00 0.00 57.07 56.22 2oni s TYR 897 Cb -0.39 -1.46 0.00 0.00 -0.11 0.00 0.00 41.96 40.00 2oni s TYR 897 CO 0.46 0.10 0.00 0.41 -1.11 0.00 0.00 175.55 175.41 2oni n GLY 898 N 2.00 3.20 0.23 0.71 0.00 -0.03 -4.75 105.19 106.54 2oni n GLY 898 Ca -0.16 -1.90 -0.13 0.00 0.00 0.00 0.00 46.02 43.83 2oni n GLY 898 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2oni h SER 899 N 0.00 0.81 -2.16 1.61 0.02 -1.21 -3.35 113.55 109.27 2oni h SER 899 Ca 0.00 -0.47 -0.69 0.00 -0.84 0.00 0.00 61.79 59.79 2oni h SER 899 Cb 0.00 -0.23 -0.35 0.00 0.14 0.00 0.00 62.40 61.96 2oni h SER 899 CO 0.00 1.12 0.13 0.59 -1.14 0.00 0.00 176.83 177.53 2oni n ASN 900 N -4.21 5.87 0.00 3.07 4.13 -1.26 -5.06 115.26 117.80 2oni n ASN 900 Ca -0.03 -3.71 0.00 0.00 1.68 0.00 0.00 54.58 52.52 2oni n ASN 900 Cb 0.49 -0.82 0.00 0.00 -1.54 0.00 0.00 39.78 37.91 2oni n ASN 900 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2oni n GLY 901 N -0.23 -1.60 3.63 7.41 0.00 -1.26 -4.93 105.19 108.21 2oni n GLY 901 Ca 0.40 -1.45 -0.54 0.00 0.00 0.00 0.00 46.02 44.43 2oni n GLY 901 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2oni n PRO 902 N 0.00 1.18 -3.26 1.61 -0.02 -1.26 -0.85 135.00 132.40 2oni n PRO 902 Ca 0.00 0.43 -0.05 0.00 -2.02 0.00 0.00 63.50 61.86 2oni n PRO 902 Cb 0.00 -2.09 -0.04 0.00 -0.02 0.00 0.00 33.50 31.34 2oni n PRO 902 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 2oni s GLN 903 N 1.59 0.45 0.59 -0.52 2.00 -0.06 -4.73 119.66 118.97 2oni s GLN 903 Ca 0.89 0.31 -0.20 0.00 -2.00 0.00 0.00 55.36 54.36 2oni s GLN 903 Cb -0.99 -0.15 -0.03 0.00 0.80 0.00 0.00 33.01 32.64 2oni s GLN 903 CO 0.53 -0.98 1.30 -0.51 -0.50 0.00 0.00 175.29 175.12 2oni s LEU 904 N 2.63 3.73 -0.03 3.68 1.43 -1.26 -4.21 118.68 124.65 2oni s LEU 904 Ca 0.11 2.62 -0.37 0.00 -1.03 0.00 0.00 54.13 55.45 2oni s LEU 904 Cb -0.12 -4.45 -0.16 0.00 0.03 0.00 0.00 46.19 41.49 2oni s LEU 904 CO -0.28 -1.69 1.51 0.33 0.23 0.00 0.00 176.35 176.45 2oni n PHE 905 N -1.41 1.78 -4.60 0.29 7.35 -1.26 -4.79 117.46 114.83 2oni n PHE 905 Ca 0.13 0.54 -0.23 0.00 -0.76 0.00 0.00 57.45 57.13 2oni n PHE 905 Cb 0.47 -2.40 -0.16 0.00 0.35 0.00 0.00 39.48 37.74 2oni n PHE 905 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 2oni s THR 906 N 1.62 1.10 -0.21 -2.13 2.01 -0.28 -0.89 115.64 116.85 2oni s THR 906 Ca 0.89 -0.52 0.01 0.00 0.31 0.00 0.00 61.69 62.37 2oni s THR 906 Cb -0.95 -0.96 0.03 0.00 0.01 0.00 0.00 72.50 70.62 2oni s THR 906 CO 0.52 0.33 -0.15 -0.63 -0.69 0.00 0.00 174.62 174.00 2oni s ILE 907 N 0.19 2.31 -0.11 1.82 1.01 -0.47 0.66 121.20 126.61 2oni s ILE 907 Ca -0.05 -1.07 0.01 0.00 0.00 0.00 0.00 60.65 59.54 2oni s ILE 907 Cb -0.11 -2.09 -0.01 0.00 0.01 0.00 0.00 42.46 40.26 2oni s ILE 907 CO 0.02 0.36 -0.15 -0.70 0.00 0.00 0.00 174.94 174.47 2oni s GLU 908 N 1.27 3.20 0.05 2.79 2.12 -0.20 -1.22 118.70 126.71 2oni s GLU 908 Ca 0.01 -0.71 -0.31 0.00 0.36 0.00 0.00 54.97 54.33 2oni s GLU 908 Cb -0.15 -2.55 -0.07 0.00 0.26 0.00 0.00 34.13 31.62 2oni s GLU 908 CO -0.09 0.28 1.58 -1.14 -0.54 0.00 0.00 175.26 175.34 2oni s GLN 909 N 0.17 4.22 -0.08 4.30 0.74 -0.73 -1.52 119.66 126.76 2oni s GLN 909 Ca -0.08 2.22 -0.23 0.00 0.05 0.00 0.00 55.36 57.32 2oni s GLN 909 Cb -0.15 -3.60 0.05 0.00 1.10 0.00 0.00 33.01 30.41 2oni s GLN 909 CO 0.05 -0.69 0.54 -0.46 -0.55 0.00 0.00 175.29 174.18 2oni s TRP 910 N 2.59 -0.51 0.05 1.67 -0.00 -1.20 -4.82 118.94 116.72 2oni s TRP 910 Ca 0.71 0.97 0.00 0.00 -0.00 0.00 0.00 56.10 57.78 2oni s TRP 910 Cb -0.37 0.27 0.00 0.00 -0.00 0.00 0.00 33.47 33.37 2oni s TRP 910 CO 0.31 -0.47 0.00 0.41 -0.00 0.00 0.00 176.95 177.19 2oni n GLY 911 N 1.46 -2.12 3.85 5.86 0.00 -1.26 -2.18 105.19 110.81 2oni n GLY 911 Ca -0.18 -1.44 -0.32 0.00 0.00 0.00 0.00 46.02 44.08 2oni n GLY 911 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2oni s SER 912 N -3.23 6.03 0.25 1.61 0.15 -1.26 -4.54 113.70 112.71 2oni s SER 912 Ca 0.00 0.21 0.15 0.00 0.70 0.00 0.00 55.95 57.01 2oni s SER 912 Cb 0.00 -1.80 0.80 0.00 -1.71 0.00 0.00 66.02 63.31 2oni s SER 912 CO 0.00 0.23 1.41 -2.65 1.20 0.00 0.00 173.24 173.43 2oni n PRO 913 N 0.76 0.10 0.00 5.44 -0.02 -1.26 -0.99 135.00 139.03 2oni n PRO 913 Ca -0.10 0.58 0.14 0.00 -2.02 0.00 0.00 63.50 62.10 2oni n PRO 913 Cb 0.52 -1.91 0.61 0.00 -0.02 0.00 0.00 33.50 32.70 2oni n PRO 913 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2oni n GLU 914 N -2.03 1.22 -3.40 -0.52 0.00 -1.26 -4.88 120.64 109.78 2oni n GLU 914 Ca -0.01 -0.56 -0.25 0.00 0.00 0.00 0.00 57.16 56.34 2oni n GLU 914 Cb 0.11 -1.49 -0.02 0.00 0.00 0.00 0.00 31.44 30.05 2oni n GLU 914 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 2oni s LYS 915 N -2.16 3.51 0.44 3.44 1.02 -0.16 -5.11 119.74 120.71 2oni s LYS 915 Ca 0.36 -0.27 -0.13 0.00 0.02 0.00 0.00 55.97 55.95 2oni s LYS 915 Cb 0.21 -2.68 -0.07 0.00 -0.52 0.00 0.00 37.83 34.77 2oni s LYS 915 CO 0.40 0.18 0.85 -0.51 -0.92 0.00 0.00 175.35 175.35 2oni s LEU 916 N -4.08 3.78 0.76 3.17 1.43 -1.26 -4.83 118.68 117.65 2oni s LEU 916 Ca 0.41 1.32 -0.13 0.00 -1.03 0.00 0.00 54.13 54.69 2oni s LEU 916 Cb -0.10 -4.21 0.06 0.00 0.03 0.00 0.00 46.19 41.96 2oni s LEU 916 CO 0.34 -0.45 1.17 -2.84 0.23 0.00 0.00 176.35 174.80 2oni s PRO 917 N -3.83 2.02 0.19 1.29 0.02 -1.26 -4.87 135.00 128.56 2oni s PRO 917 Ca 0.55 1.60 0.04 0.00 0.02 0.00 0.00 61.00 63.21 2oni s PRO 917 Cb -0.10 -1.84 -0.05 0.00 0.02 0.00 0.00 34.50 32.54 2oni s PRO 917 CO 0.29 -1.89 -0.06 1.03 -0.33 0.00 0.00 177.00 176.04 2oni s ARG 918 N -4.19 1.23 0.05 5.54 0.52 -0.57 -4.94 118.95 116.58 2oni s ARG 918 Ca 0.70 -1.58 0.06 0.00 -0.52 0.00 0.00 55.73 54.40 2oni s ARG 918 Cb -0.25 -0.69 -0.03 0.00 0.52 0.00 0.00 34.95 34.50 2oni s ARG 918 CO 0.48 0.01 -0.17 0.00 0.02 0.00 0.00 175.30 175.65 2oni s ALA 919 N -3.32 1.40 -0.39 2.13 0.00 -1.26 -0.01 121.76 120.31 2oni s ALA 919 Ca 0.23 -0.97 -0.04 0.00 0.00 0.00 0.00 51.96 51.18 2oni s ALA 919 Cb 0.04 -0.22 0.09 0.00 0.00 0.00 0.00 23.12 23.03 2oni s ALA 919 CO 0.05 0.27 0.18 -1.01 0.00 0.00 0.00 175.76 175.26 2oni s HIS 920 N -0.94 3.49 0.27 0.00 3.76 -0.30 -4.97 115.29 116.60 2oni s HIS 920 Ca 0.03 -2.18 0.09 0.00 -0.15 0.00 0.00 55.06 52.86 2oni s HIS 920 Cb -0.09 -2.99 0.36 0.00 1.11 0.00 0.00 32.58 30.97 2oni s HIS 920 CO 0.02 -0.92 1.62 1.79 -0.85 0.00 0.00 174.74 176.39 2oni h THR 921 N 6.33 1.41 0.00 1.30 1.35 -1.84 -1.91 112.91 119.55 2oni h THR 921 Ca -0.16 -2.01 -0.01 0.00 -0.55 0.00 0.00 66.41 63.68 2oni h THR 921 Cb 1.06 2.06 -0.00 0.00 -1.73 0.00 0.00 68.15 69.53 2oni h THR 921 CO 0.68 0.58 -0.05 0.00 -0.25 0.00 0.00 175.52 176.48 2oni n PHE 923 N -3.27 0.66 -4.32 0.00 3.72 -0.77 -0.72 117.46 112.76 2oni n PHE 923 Ca -0.01 -0.55 -0.37 0.00 -0.05 0.00 0.00 57.45 56.47 2oni n PHE 923 Cb 0.23 -0.07 -0.05 0.00 -0.94 0.00 0.00 39.48 38.65 2oni n PHE 923 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2oni n ASN 924 N 0.59 -2.13 -4.11 4.37 3.02 -0.98 -4.67 115.26 111.37 2oni n ASN 924 Ca 0.15 -1.12 -0.33 0.00 -0.03 0.00 0.00 54.58 53.26 2oni n ASN 924 Cb 0.54 -2.27 -0.16 0.00 -0.61 0.00 0.00 39.78 37.28 2oni n ASN 924 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 2oni s ARG 925 N -7.06 2.82 -0.25 3.52 3.52 -0.91 -1.13 118.95 119.47 2oni s ARG 925 Ca 0.64 -0.90 -0.25 0.00 -0.13 0.00 0.00 55.73 55.09 2oni s ARG 925 Cb -0.36 -2.60 -0.00 0.00 -1.56 0.00 0.00 34.95 30.43 2oni s ARG 925 CO 0.97 -0.27 0.84 -1.17 -0.81 0.00 0.00 175.30 174.85 2oni s LEU 926 N 1.27 4.08 -0.56 -0.88 2.96 0.21 -1.15 118.68 124.61 2oni s LEU 926 Ca 0.03 1.03 -0.23 0.00 -0.22 0.00 0.00 54.13 54.74 2oni s LEU 926 Cb -0.14 -3.20 0.05 0.00 0.50 0.00 0.00 46.19 43.40 2oni s LEU 926 CO -0.12 -0.53 0.89 -1.81 -1.32 0.00 0.00 176.35 173.46 2oni s ASP 927 N 1.35 6.30 -0.31 3.68 1.01 0.98 -1.03 116.67 128.64 2oni s ASP 927 Ca 0.35 -0.53 -0.01 0.00 0.71 0.00 0.00 52.55 53.07 2oni s ASP 927 Cb -0.15 -2.41 0.06 0.00 1.01 0.00 0.00 42.92 41.43 2oni s ASP 927 CO 0.07 -1.19 0.02 -0.22 0.21 0.00 0.00 175.17 174.07 2oni s LEU 928 N 3.72 4.11 0.70 1.23 2.96 -0.58 -1.51 118.68 129.31 2oni s LEU 928 Ca 0.27 -1.45 -0.16 0.00 -0.22 0.00 0.00 54.13 52.56 2oni s LEU 928 Cb -0.14 -1.71 0.02 0.00 0.50 0.00 0.00 46.19 44.86 2oni s LEU 928 CO 0.17 -0.30 1.27 -2.84 -1.32 0.00 0.00 176.35 173.33 2oni s PRO 929 N 1.20 2.23 -1.30 0.98 0.02 -0.92 -3.23 135.00 133.97 2oni s PRO 929 Ca -0.03 1.98 -0.18 0.00 0.02 0.00 0.00 61.00 62.79 2oni s PRO 929 Cb -0.20 -1.82 0.05 0.00 0.02 0.00 0.00 34.50 32.55 2oni s PRO 929 CO -0.02 -1.83 1.82 -0.35 -0.33 0.00 0.00 177.00 176.29 2oni n PRO 930 N -2.38 2.97 -1.13 5.54 -0.04 -1.26 -4.92 135.00 133.78 2oni n PRO 930 Ca 0.15 -3.10 -0.32 0.00 -0.04 0.00 0.00 63.50 60.19 2oni n PRO 930 Cb 0.49 -3.49 0.12 0.00 -0.04 0.00 0.00 33.50 30.57 2oni n PRO 930 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2oni s TYR 931 N 4.84 2.12 -0.32 0.54 2.02 -1.26 -4.66 117.35 120.62 2oni s TYR 931 Ca 0.55 1.66 0.23 0.00 -0.37 0.00 0.00 57.07 59.13 2oni s TYR 931 Cb 0.05 -3.25 0.04 0.00 -0.40 0.00 0.00 41.96 38.40 2oni s TYR 931 CO 0.07 -2.32 1.06 0.39 -1.57 0.00 0.00 175.55 173.18 2oni n GLU 932 N -3.54 0.53 -4.06 -0.62 1.02 -1.26 -4.91 120.64 107.81 2oni n GLU 932 Ca 0.11 0.09 -0.08 0.00 -0.02 0.00 0.00 57.16 57.26 2oni n GLU 932 Cb 0.52 -1.77 -0.09 0.00 -0.02 0.00 0.00 31.44 30.08 2oni n GLU 932 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2oni s THR 933 N -3.33 0.16 0.14 2.62 -4.23 -1.26 -5.06 115.64 104.68 2oni s THR 933 Ca 0.01 -1.69 -0.19 0.00 -1.18 0.00 0.00 61.69 58.64 2oni s THR 933 Cb 0.11 -1.68 -0.01 0.00 1.34 0.00 0.00 72.50 72.25 2oni s THR 933 CO 0.79 -0.71 1.72 0.15 -0.54 0.00 0.00 174.62 176.03 2oni h PHE 934 N 2.94 0.03 -0.82 3.99 3.57 -1.95 -2.05 116.94 122.64 2oni h PHE 934 Ca -0.34 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.15 2oni h PHE 934 Cb 1.18 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.90 2oni h PHE 934 CO 0.47 -0.01 0.39 0.93 -2.23 0.00 0.00 178.31 177.86 2oni h GLU 935 N 0.11 1.18 -0.45 1.11 3.07 -1.99 -0.90 114.58 116.72 2oni h GLU 935 Ca 0.12 -0.17 -0.03 0.00 -0.50 0.00 0.00 59.36 58.78 2oni h GLU 935 Cb 0.14 -0.21 -0.02 0.00 -0.84 0.00 0.00 28.75 27.81 2oni h GLU 935 CO -0.18 0.91 0.17 0.22 -1.40 0.00 0.00 179.01 178.73 2oni h ASP 936 N 1.17 0.62 -0.28 1.42 3.58 -1.93 -0.69 116.42 120.32 2oni h ASP 936 Ca 0.28 -0.17 -0.00 0.00 0.42 0.00 0.00 57.03 57.55 2oni h ASP 936 Cb 0.12 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 40.99 2oni h ASP 936 CO -0.04 0.63 0.16 0.25 -2.88 0.00 0.00 179.24 177.36 2oni h LEU 937 N 0.58 0.35 -0.56 2.28 6.46 -1.00 -1.15 115.31 122.27 2oni h LEU 937 Ca 0.15 -0.08 0.01 0.00 -0.12 0.00 0.00 57.88 57.84 2oni h LEU 937 Cb 0.20 -0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 40.02 2oni h LEU 937 CO -0.01 0.32 0.37 -0.09 -0.62 0.00 0.00 178.44 178.41 2oni h ARG 938 N 0.34 0.72 -0.29 1.25 2.43 -1.03 0.11 114.38 117.91 2oni h ARG 938 Ca 0.10 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.13 2oni h ARG 938 Cb 0.05 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 2oni h ARG 938 CO -0.02 0.48 -0.21 0.93 -1.51 0.00 0.00 179.97 179.64 2oni h GLU 939 N 0.74 0.64 -0.17 0.20 4.39 -0.92 -2.12 114.58 117.34 2oni h GLU 939 Ca 0.21 -0.31 -0.11 0.00 0.34 0.00 0.00 59.36 59.49 2oni h GLU 939 Cb -0.07 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 2oni h GLU 939 CO -0.05 0.91 -0.38 0.87 -1.16 0.00 0.00 179.01 179.20 2oni h LYS 940 N 0.38 0.38 -0.14 2.33 1.57 -1.07 -3.10 116.57 116.92 2oni h LYS 940 Ca 0.05 -0.17 -0.09 0.00 -1.87 0.00 0.00 60.65 58.57 2oni h LYS 940 Cb 0.75 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.06 2oni h LYS 940 CO 0.06 0.70 -0.27 1.25 -0.57 0.00 0.00 179.45 180.61 2oni h LEU 941 N 0.32 0.48 -1.84 2.94 5.85 -0.77 -2.23 115.31 120.05 2oni h LEU 941 Ca 0.03 -0.56 0.00 0.00 0.84 0.00 0.00 57.88 58.20 2oni h LEU 941 Cb 0.81 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.70 2oni h LEU 941 CO 0.06 0.94 0.00 0.18 -0.34 0.00 0.00 178.44 179.29 2oni n LEU 942 N -4.42 0.26 0.00 2.25 4.77 -0.80 -1.46 117.00 117.60 2oni n LEU 942 Ca -0.07 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 2oni n LEU 942 Cb 0.46 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 2oni n LEU 942 CO 0.42 0.05 0.00 0.00 -1.33 0.00 0.00 177.39 176.52 2oni n ALA 944 N 0.87 0.00 -0.16 -1.18 0.00 -0.84 -0.91 120.51 118.29 2oni n ALA 944 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 2oni n ALA 944 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.50 2oni n ALA 944 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2oni h VAL 945 N 0.00 1.24 -0.01 0.00 2.07 -1.53 -3.51 116.25 114.51 2oni h VAL 945 Ca 0.00 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 66.65 2oni h VAL 945 Cb 0.00 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 2oni h VAL 945 CO 0.00 0.31 0.00 -0.62 0.02 0.00 0.00 177.57 177.28