#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3brb h LYS 576 N 0.00 0.02 -1.85 -3.83 1.57 -2.05 -3.20 116.57 107.23 3brb h LYS 576 Ca 0.00 -0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.58 3brb h LYS 576 Cb 0.00 -0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.23 3brb h LYS 576 CO 0.00 0.23 0.10 1.47 -0.57 0.00 0.00 179.45 180.68 3brb n LEU 577 N -4.29 5.80 -0.35 2.94 -0.00 -1.26 -3.84 117.00 116.00 3brb n LEU 577 Ca -0.02 -3.01 0.07 0.00 -0.00 0.00 0.00 56.01 53.04 3brb n LEU 577 Cb 0.27 -1.17 0.01 0.00 -0.00 0.00 0.00 43.42 42.52 3brb n LEU 577 CO 0.37 1.28 0.28 -1.84 -0.00 0.00 0.00 177.39 177.48 3brb n GLU 578 N 1.26 1.71 0.03 1.47 0.00 -1.21 -4.29 120.64 119.61 3brb n GLU 578 Ca 0.23 -0.82 0.10 0.00 0.00 0.00 0.00 57.16 56.66 3brb n GLU 578 Cb 0.61 -1.22 0.43 0.00 0.00 0.00 0.00 31.44 31.26 3brb n GLU 578 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3brb n ASP 579 N -0.04 0.17 0.05 -1.84 9.92 -1.25 -2.15 116.55 121.42 3brb n ASP 579 Ca 0.06 0.53 0.12 0.00 -0.53 0.00 0.00 54.79 54.97 3brb n ASP 579 Cb 0.31 -0.57 0.21 0.00 -0.64 0.00 0.00 41.12 40.42 3brb n ASP 579 CO 0.00 0.00 0.00 0.55 0.13 0.00 0.00 177.20 177.88 3brb n VAL 580 N -1.68 0.29 -2.90 2.53 3.14 -1.26 -4.90 118.33 113.55 3brb n VAL 580 Ca 0.04 -0.22 -0.40 0.00 -2.96 0.00 0.00 64.34 60.80 3brb n VAL 580 Cb 0.25 -0.09 -0.05 0.00 -1.06 0.00 0.00 33.84 32.89 3brb n VAL 580 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 3brb s VAL 581 N -3.13 4.71 -0.16 1.55 1.01 -0.91 -0.39 120.40 123.07 3brb s VAL 581 Ca 0.07 1.77 -0.06 0.00 0.00 0.00 0.00 61.98 63.76 3brb s VAL 581 Cb 0.14 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 3brb s VAL 581 CO 0.71 0.32 0.05 -0.63 0.00 0.00 0.00 175.10 175.55 3brb s ILE 582 N 0.12 4.65 0.03 2.22 1.01 0.12 -4.86 121.20 124.49 3brb s ILE 582 Ca 0.42 -0.09 -0.33 0.00 0.00 0.00 0.00 60.65 60.65 3brb s ILE 582 Cb -0.21 -3.07 -0.11 0.00 0.01 0.00 0.00 42.46 39.08 3brb s ILE 582 CO 0.25 0.49 1.83 -0.67 0.00 0.00 0.00 174.94 176.84 3brb n ASP 583 N 3.26 3.66 -0.29 3.58 2.03 -1.26 -4.37 116.55 123.15 3brb n ASP 583 Ca -0.17 0.98 0.10 0.00 0.52 0.00 0.00 54.79 56.22 3brb n ASP 583 Cb 0.53 -1.45 0.26 0.00 -0.72 0.00 0.00 41.12 39.73 3brb n ASP 583 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 3brb h ARG 584 N 8.67 0.44 0.00 -0.67 9.65 -1.95 -1.12 114.38 129.40 3brb h ARG 584 Ca -0.48 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.38 3brb h ARG 584 Cb 1.25 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 29.73 3brb h ARG 584 CO 0.94 0.29 0.00 0.27 2.80 0.00 0.00 179.97 184.27 3brb n ASN 585 N -5.00 0.00 -0.46 -3.80 2.04 -1.26 -0.71 115.26 106.06 3brb n ASN 585 Ca 0.19 -0.60 0.13 0.00 -0.44 0.00 0.00 54.58 53.86 3brb n ASN 585 Cb 0.54 0.00 0.44 0.00 -2.53 0.00 0.00 39.78 38.23 3brb n ASN 585 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 3brb n LEU 586 N -0.95 1.52 -4.31 -4.53 4.77 -0.42 -4.89 117.00 108.19 3brb n LEU 586 Ca 0.12 -0.49 -0.32 0.00 -0.03 0.00 0.00 56.01 55.28 3brb n LEU 586 Cb 0.05 -0.03 -0.16 0.00 -2.33 0.00 0.00 43.42 40.96 3brb n LEU 586 CO 0.09 0.26 -0.50 -0.22 -1.33 0.00 0.00 177.39 175.68 3brb s LEU 587 N -2.14 2.40 -0.16 2.23 2.96 0.11 -0.65 118.68 123.44 3brb s LEU 587 Ca 0.33 -0.43 0.00 0.00 -0.22 0.00 0.00 54.13 53.82 3brb s LEU 587 Cb 0.20 -1.50 0.00 0.00 0.50 0.00 0.00 46.19 45.39 3brb s LEU 587 CO 0.38 0.18 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.81 3brb s ILE 588 N 0.23 2.55 -0.14 6.68 -1.09 0.09 -4.97 121.20 124.56 3brb s ILE 588 Ca -0.12 -0.80 -0.13 0.00 -2.23 0.00 0.00 60.65 57.36 3brb s ILE 588 Cb -0.16 -2.08 -0.05 0.00 -1.58 0.00 0.00 42.46 38.59 3brb s ILE 588 CO 0.07 0.52 0.29 -0.76 -1.23 0.00 0.00 174.94 173.82 3brb s LEU 589 N 0.94 4.28 0.00 2.97 1.43 -1.26 -0.29 118.68 126.74 3brb s LEU 589 Ca -0.03 0.54 0.00 0.00 -1.03 0.00 0.00 54.13 53.61 3brb s LEU 589 Cb -0.15 -2.37 0.00 0.00 0.03 0.00 0.00 46.19 43.70 3brb s LEU 589 CO -0.02 0.15 0.00 0.61 0.23 0.00 0.00 176.35 177.31 3brb n GLY 590 N 3.13 1.61 3.79 -3.19 0.00 0.41 -4.98 105.19 105.95 3brb n GLY 590 Ca -0.13 -0.02 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 3brb n GLY 590 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3brb s LYS 591 N 4.01 3.50 0.09 1.61 1.02 -1.26 -4.69 119.74 124.03 3brb s LYS 591 Ca 0.00 1.41 -0.30 0.00 0.02 0.00 0.00 55.97 57.09 3brb s LYS 591 Cb 0.00 -2.05 -0.06 0.00 -0.52 0.00 0.00 37.83 35.20 3brb s LYS 591 CO 0.00 -0.69 1.20 0.42 -0.92 0.00 0.00 175.35 175.36 3brb s ILE 592 N -2.04 3.90 -0.12 2.17 1.01 -1.26 -1.12 121.20 123.74 3brb s ILE 592 Ca 0.68 1.42 0.17 0.00 0.00 0.00 0.00 60.65 62.91 3brb s ILE 592 Cb -0.19 -3.91 -0.22 0.00 0.01 0.00 0.00 42.46 38.16 3brb s ILE 592 CO 0.27 0.14 0.50 0.18 0.00 0.00 0.00 174.94 176.03 3brb n LEU 593 N 3.56 0.50 -3.55 2.97 4.77 0.12 -4.90 117.00 120.47 3brb n LEU 593 Ca 0.08 0.23 -0.09 0.00 -0.03 0.00 0.00 56.01 56.19 3brb n LEU 593 Cb 0.46 0.23 -0.04 0.00 -2.33 0.00 0.00 43.42 41.74 3brb n LEU 593 CO 0.56 0.31 0.76 -0.83 -1.33 0.00 0.00 177.39 176.86 3brb s GLY 594 N -5.07 -0.33 0.29 -0.72 0.00 -1.02 -5.00 107.32 95.46 3brb s GLY 594 Ca -0.06 1.68 0.06 0.00 0.00 0.00 0.00 44.72 46.39 3brb s GLY 594 CO 0.83 0.78 -0.02 1.85 0.00 0.00 0.00 173.10 176.54 3brb s GLU 595 N -1.83 1.57 0.00 2.90 2.56 -1.26 -1.23 118.70 121.41 3brb s GLU 595 Ca 0.01 -1.82 0.00 0.00 0.00 0.00 0.00 54.97 53.16 3brb s GLU 595 Cb -0.01 -1.05 0.00 0.00 2.00 0.00 0.00 34.13 35.08 3brb s GLU 595 CO -0.02 -0.04 0.00 0.39 -0.56 0.00 0.00 175.26 175.03 3brb n GLU 597 N -0.61 0.00 -0.09 4.30 4.71 -1.26 -4.68 120.64 123.01 3brb n GLU 597 Ca -0.05 0.00 0.08 0.00 -0.01 0.00 0.00 57.16 57.19 3brb n GLU 597 Cb 0.64 0.00 0.13 0.00 -1.01 0.00 0.00 31.44 31.20 3brb n GLU 597 CO 0.00 0.00 0.00 1.97 0.09 0.00 0.00 177.13 179.19 3brb n PHE 598 N 0.00 0.08 -3.56 -0.32 1.16 -1.26 -5.05 117.46 108.50 3brb n PHE 598 Ca 0.00 -0.92 -0.08 0.00 -1.87 0.00 0.00 57.45 54.59 3brb n PHE 598 Cb 0.00 -0.15 -0.03 0.00 -1.61 0.00 0.00 39.48 37.69 3brb n PHE 598 CO 0.00 0.00 0.00 0.20 -1.87 0.00 0.00 176.76 175.09 3brb s GLY 599 N -2.52 -0.30 0.01 4.97 0.00 -1.26 -4.59 107.32 103.62 3brb s GLY 599 Ca 0.28 1.68 0.08 0.00 0.00 0.00 0.00 44.72 46.77 3brb s GLY 599 CO 0.03 0.70 -0.25 -1.35 0.00 0.00 0.00 173.10 172.23 3brb s SER 600 N -1.79 3.01 -0.14 1.64 1.04 -1.26 -4.60 113.70 111.60 3brb s SER 600 Ca 0.04 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 55.96 3brb s SER 600 Cb -0.01 -0.30 -0.01 0.00 0.10 0.00 0.00 66.02 65.80 3brb s SER 600 CO -0.04 0.28 -0.15 0.54 0.98 0.00 0.00 173.24 174.85 3brb s VAL 601 N -0.70 2.79 0.12 5.02 0.11 -0.37 -2.04 120.40 125.33 3brb s VAL 601 Ca 0.10 -0.74 0.10 0.00 -2.93 0.00 0.00 61.98 58.51 3brb s VAL 601 Cb -0.10 -2.17 -0.04 0.00 -1.53 0.00 0.00 36.38 32.55 3brb s VAL 601 CO 0.00 0.52 -0.24 -0.04 -3.33 0.00 0.00 175.10 172.01 3brb s MET 602 N 0.60 1.29 0.55 1.54 -1.94 0.40 0.15 119.30 121.90 3brb s MET 602 Ca -0.09 -1.27 -0.18 0.00 -1.71 0.00 0.00 55.69 52.44 3brb s MET 602 Cb -0.16 -1.69 -0.05 0.00 2.01 0.00 0.00 34.83 34.94 3brb s MET 602 CO 0.03 0.40 1.07 -1.83 -0.01 0.00 0.00 175.02 174.68 3brb s GLU 603 N -2.00 3.45 0.30 2.03 -1.05 -0.28 -0.12 118.70 121.04 3brb s GLU 603 Ca 0.11 1.35 -0.16 0.00 -0.15 0.00 0.00 54.97 56.12 3brb s GLU 603 Cb -0.10 -2.04 0.02 0.00 -0.44 0.00 0.00 34.13 31.57 3brb s GLU 603 CO 0.05 -0.72 0.66 0.20 0.95 0.00 0.00 175.26 176.40 3brb s GLY 604 N -2.30 0.29 -0.07 -3.83 0.00 0.32 -0.45 107.32 101.27 3brb s GLY 604 Ca 0.67 -0.65 0.05 0.00 0.00 0.00 0.00 44.72 44.79 3brb s GLY 604 CO 0.29 -0.34 -0.22 -1.31 0.00 0.00 0.00 173.10 171.52 3brb s ASN 605 N -3.00 3.30 -0.18 1.64 0.01 0.60 -1.12 114.94 116.19 3brb s ASN 605 Ca 0.16 -0.46 -0.02 0.00 -0.71 0.00 0.00 52.86 51.83 3brb s ASN 605 Cb -0.04 -1.06 -0.01 0.00 0.41 0.00 0.00 41.25 40.55 3brb s ASN 605 CO 0.10 0.23 -0.09 -0.22 -1.51 0.00 0.00 177.10 175.60 3brb s LEU 606 N -0.05 2.77 -0.02 0.60 2.96 0.79 -0.73 118.68 125.00 3brb s LEU 606 Ca -0.06 -0.38 -0.30 0.00 -0.22 0.00 0.00 54.13 53.17 3brb s LEU 606 Cb -0.15 -1.67 -0.03 0.00 0.50 0.00 0.00 46.19 44.84 3brb s LEU 606 CO 0.05 0.06 1.13 -0.75 -1.32 0.00 0.00 176.35 175.51 3brb s LYS 607 N 1.01 4.42 0.24 1.98 2.36 0.17 -0.62 119.74 129.31 3brb s LYS 607 Ca -0.00 1.60 0.05 0.00 -2.55 0.00 0.00 55.97 55.07 3brb s LYS 607 Cb -0.15 -3.48 -0.03 0.00 -1.05 0.00 0.00 37.83 33.12 3brb s LYS 607 CO -0.01 -0.30 0.34 -0.65 1.55 0.00 0.00 175.35 176.28 3brb s GLN 608 N 1.67 3.39 0.58 4.03 -0.21 0.11 -4.94 119.66 124.29 3brb s GLN 608 Ca 0.55 -0.79 0.28 0.00 0.02 0.00 0.00 55.36 55.42 3brb s GLN 608 Cb -0.24 -2.86 1.65 0.00 1.00 0.00 0.00 33.01 32.56 3brb s GLN 608 CO 0.24 0.43 2.12 0.93 -2.12 0.00 0.00 175.29 176.89 3brb h GLU 609 N 1.22 0.00 -1.32 2.91 5.08 -1.96 0.33 114.58 120.84 3brb h GLU 609 Ca -0.52 0.00 0.38 0.00 -1.00 0.00 0.00 59.36 58.23 3brb h GLU 609 Cb 1.23 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.43 3brb h GLU 609 CO 0.61 0.00 0.98 0.22 -1.00 0.00 0.00 179.01 179.82 3brb h ASP 610 N 0.00 0.00 0.00 1.42 1.82 -2.02 -3.46 116.42 114.18 3brb h ASP 610 Ca 0.08 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.72 3brb h ASP 610 Cb 0.41 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.42 3brb h ASP 610 CO -0.00 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.24 3brb n GLY 611 N -1.79 2.92 3.88 -0.78 0.00 0.12 -5.05 105.19 104.48 3brb n GLY 611 Ca 0.29 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.00 3brb n GLY 611 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3brb s THR 612 N -1.99 4.45 -0.10 2.61 -4.23 -1.26 -4.67 115.64 110.46 3brb s THR 612 Ca 0.00 0.76 -0.00 0.00 -1.18 0.00 0.00 61.69 61.26 3brb s THR 612 Cb 0.00 -3.78 -0.03 0.00 1.34 0.00 0.00 72.50 70.03 3brb s THR 612 CO 0.00 -1.02 -0.07 -0.44 -0.54 0.00 0.00 174.62 172.55 3brb s SER 613 N -4.22 4.55 -0.03 3.99 0.01 -1.26 -0.71 113.70 116.03 3brb s SER 613 Ca 0.55 -0.11 0.03 0.00 1.31 0.00 0.00 55.95 57.73 3brb s SER 613 Cb -0.11 -1.39 -0.03 0.00 0.21 0.00 0.00 66.02 64.70 3brb s SER 613 CO 0.53 0.28 -0.10 -0.22 0.41 0.00 0.00 173.24 174.13 3brb s LEU 614 N -0.30 2.97 -0.01 2.44 2.96 0.20 -4.92 118.68 122.04 3brb s LEU 614 Ca 0.04 -0.15 -0.30 0.00 -0.22 0.00 0.00 54.13 53.50 3brb s LEU 614 Cb -0.13 -1.66 -0.04 0.00 0.50 0.00 0.00 46.19 44.86 3brb s LEU 614 CO 0.02 0.33 1.23 -0.75 -1.32 0.00 0.00 176.35 175.86 3brb s LYS 615 N -1.00 4.37 0.25 1.98 2.47 -1.26 -0.15 119.74 126.40 3brb s LYS 615 Ca 0.13 1.75 0.07 0.00 -1.56 0.00 0.00 55.97 56.36 3brb s LYS 615 Cb -0.11 -3.49 -0.05 0.00 -1.46 0.00 0.00 37.83 32.72 3brb s LYS 615 CO 0.03 -0.40 -0.09 0.14 0.16 0.00 0.00 175.35 175.19 3brb s VAL 616 N 1.85 1.68 -0.11 4.02 -7.23 -0.27 -1.38 120.40 118.95 3brb s VAL 616 Ca 0.58 -2.16 -0.02 0.00 -1.81 0.00 0.00 61.98 58.57 3brb s VAL 616 Cb -0.27 -2.28 -0.03 0.00 0.56 0.00 0.00 36.38 34.36 3brb s VAL 616 CO 0.25 -0.42 -0.03 0.00 -0.31 0.00 0.00 175.10 174.59 3brb s ALA 617 N -3.00 3.08 -0.11 1.32 0.00 0.32 -0.53 121.76 122.83 3brb s ALA 617 Ca 0.27 -0.83 0.03 0.00 0.00 0.00 0.00 51.96 51.42 3brb s ALA 617 Cb 0.02 -1.45 0.01 0.00 0.00 0.00 0.00 23.12 21.70 3brb s ALA 617 CO 0.10 0.41 -0.19 0.08 0.00 0.00 0.00 175.76 176.16 3brb s VAL 618 N -0.29 1.78 -0.15 0.00 1.01 0.83 -1.21 120.40 122.38 3brb s VAL 618 Ca 0.05 -0.83 -0.00 0.00 0.00 0.00 0.00 61.98 61.20 3brb s VAL 618 Cb -0.12 -1.58 -0.01 0.00 0.00 0.00 0.00 36.38 34.67 3brb s VAL 618 CO 0.02 0.50 -0.13 -0.54 0.00 0.00 0.00 175.10 174.95 3brb s LYS 619 N 0.74 3.30 0.33 2.72 1.02 -0.62 -0.45 119.74 126.78 3brb s LYS 619 Ca -0.11 -0.71 0.04 0.00 0.02 0.00 0.00 55.97 55.21 3brb s LYS 619 Cb -0.16 -2.67 -0.02 0.00 -0.52 0.00 0.00 37.83 34.46 3brb s LYS 619 CO 0.01 0.07 0.49 0.95 -0.92 0.00 0.00 175.35 175.95 3brb s THR 620 N 0.72 4.64 0.00 2.17 -4.23 -0.87 -0.49 115.64 117.58 3brb s THR 620 Ca -0.06 -0.80 0.00 0.00 -1.18 0.00 0.00 61.69 59.65 3brb s THR 620 Cb -0.15 -3.66 0.00 0.00 1.34 0.00 0.00 72.50 70.03 3brb s THR 620 CO 0.02 -0.32 0.00 1.15 -0.54 0.00 0.00 174.62 174.92 3brb n MET 621 N -1.67 0.00 0.00 3.99 0.00 -0.95 -4.20 117.12 114.28 3brb n MET 621 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.66 3brb n MET 621 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.79 3brb n MET 621 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 175.97 176.24 3brb n ASN 625 N -0.48 0.00 -0.22 3.17 2.04 -1.26 -3.98 115.26 114.53 3brb n ASN 625 Ca 0.00 0.00 0.07 0.00 -0.44 0.00 0.00 54.58 54.21 3brb n ASN 625 Cb 0.00 0.00 0.13 0.00 -2.53 0.00 0.00 39.78 37.38 3brb n ASN 625 CO 0.00 0.00 0.00 -1.20 -0.44 0.00 0.00 177.26 175.62 3brb n SER 626 N 0.00 2.56 -4.59 0.53 7.64 -1.26 -5.01 113.62 113.49 3brb n SER 626 Ca 0.00 -2.79 -0.35 0.00 1.01 0.00 0.00 58.87 56.74 3brb n SER 626 Cb 0.00 -0.35 0.09 0.00 -1.01 0.00 0.00 64.21 62.94 3brb n SER 626 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 3brb n SER 627 N -0.98 0.21 0.14 6.43 2.88 -1.26 -4.90 113.62 116.14 3brb n SER 627 Ca 0.13 0.64 0.02 0.00 -1.33 0.00 0.00 58.87 58.33 3brb n SER 627 Cb 0.59 -1.38 0.13 0.00 -0.75 0.00 0.00 64.21 62.79 3brb n SER 627 CO 0.00 0.00 0.00 0.06 -1.23 0.00 0.00 175.04 173.87 3brb h GLN 628 N -0.36 0.00 -0.31 -1.46 -0.00 -1.99 -2.73 115.11 108.27 3brb h GLN 628 Ca -0.47 0.00 -0.17 0.00 -0.00 0.00 0.00 58.65 58.01 3brb h GLN 628 Cb 1.33 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.81 3brb h GLN 628 CO 0.46 0.55 -0.49 0.07 -0.00 0.00 0.00 178.83 179.42 3brb h ARG 629 N 0.00 0.84 -0.01 0.06 -0.00 -2.00 -2.84 114.38 110.43 3brb h ARG 629 Ca -0.01 -0.50 -0.19 0.00 -0.00 0.00 0.00 59.98 59.28 3brb h ARG 629 Cb 1.25 0.04 -0.01 0.00 -0.00 0.00 0.00 29.97 31.25 3brb h ARG 629 CO 0.07 1.14 -0.84 1.49 -0.00 0.00 0.00 179.97 181.82 3brb h GLU 630 N 0.66 0.23 -0.00 0.08 4.57 -1.94 -3.12 114.58 115.06 3brb h GLU 630 Ca 0.03 -0.23 -0.20 0.00 -1.18 0.00 0.00 59.36 57.77 3brb h GLU 630 Cb 1.08 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.73 3brb h GLU 630 CO 0.11 0.94 -0.88 0.97 -1.18 0.00 0.00 179.01 178.97 3brb h ILE 631 N 0.13 1.46 -0.02 2.32 6.09 -1.54 -2.94 117.51 123.01 3brb h ILE 631 Ca -0.04 -2.52 -0.11 0.00 -1.37 0.00 0.00 64.86 60.82 3brb h ILE 631 Cb 1.45 2.42 -0.01 0.00 0.47 0.00 0.00 36.82 41.15 3brb h ILE 631 CO 0.13 0.74 -0.50 -0.33 -3.07 0.00 0.00 178.15 175.12 3brb h GLU 632 N 0.16 0.05 0.00 2.19 3.07 -1.59 -2.34 114.58 116.11 3brb h GLU 632 Ca -0.05 -0.03 -0.05 0.00 -0.50 0.00 0.00 59.36 58.73 3brb h GLU 632 Cb 1.51 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.41 3brb h GLU 632 CO 0.14 0.54 -0.24 1.49 -1.40 0.00 0.00 179.01 179.53 3brb h GLU 633 N 0.04 0.00 0.03 2.33 4.81 -1.47 -1.42 114.58 118.90 3brb h GLU 633 Ca -0.00 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 3brb h GLU 633 Cb 0.90 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.28 3brb h GLU 633 CO 0.07 0.24 -0.17 0.35 -0.73 0.00 0.00 179.01 178.78 3brb h PHE 634 N 0.00 0.11 -0.86 0.92 3.57 -1.32 -3.13 116.94 116.24 3brb h PHE 634 Ca -0.00 -0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.41 3brb h PHE 634 Cb 0.69 -0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.39 3brb h PHE 634 CO 0.00 1.06 0.49 -0.07 -2.23 0.00 0.00 178.31 177.56 3brb h LEU 635 N -0.86 1.05 0.39 0.59 3.38 -1.37 0.58 115.31 119.07 3brb h LEU 635 Ca -0.03 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 3brb h LEU 635 Cb 1.12 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 3brb h LEU 635 CO 0.03 0.82 -0.21 -1.28 0.09 0.00 0.00 178.44 177.90 3brb h SER 636 N 1.19 -0.51 -0.69 -0.43 0.87 -1.40 0.20 113.55 112.78 3brb h SER 636 Ca 0.31 0.02 0.10 0.00 -1.23 0.00 0.00 61.79 60.99 3brb h SER 636 Cb -0.01 0.14 -0.08 0.00 -0.44 0.00 0.00 62.40 62.01 3brb h SER 636 CO -0.05 -0.34 0.31 -0.08 -0.53 0.00 0.00 176.83 176.14 3brb h GLU 637 N -0.55 0.51 -0.53 2.24 4.81 -1.44 -0.28 114.58 119.34 3brb h GLU 637 Ca -0.05 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.11 3brb h GLU 637 Cb 0.44 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 3brb h GLU 637 CO 0.07 0.34 0.16 0.00 -0.73 0.00 0.00 179.01 178.85 3brb h ALA 638 N 1.45 0.69 -0.90 2.92 0.00 -0.55 -0.94 119.26 121.92 3brb h ALA 638 Ca 0.35 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.09 3brb h ALA 638 Cb 0.42 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 3brb h ALA 638 CO -0.30 0.35 0.59 0.00 0.00 0.00 0.00 179.25 179.89 3brb h ALA 639 N 1.03 1.16 0.25 0.00 0.00 -0.13 0.54 119.26 122.10 3brb h ALA 639 Ca 0.17 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.03 3brb h ALA 639 Cb 0.28 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3brb h ALA 639 CO -0.01 0.51 -0.33 0.00 0.00 0.00 0.00 179.25 179.43 3brb h MET 641 N -0.64 0.00 0.00 0.00 2.86 -0.60 -2.19 114.93 114.36 3brb h MET 641 Ca 0.00 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 3brb h MET 641 Cb 0.61 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.26 3brb h MET 641 CO -0.11 0.21 -0.23 -0.22 1.06 0.00 0.00 176.91 177.61 3brb h LYS 642 N 0.00 0.00 -0.00 1.72 3.64 -0.75 -2.72 116.57 118.46 3brb h LYS 642 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3brb h LYS 642 Cb 0.38 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 3brb h LYS 642 CO 0.03 0.23 -0.01 -0.25 -2.27 0.00 0.00 179.45 177.18 3brb n ASP 643 N -3.61 0.02 -4.68 4.20 8.00 -0.82 -4.78 116.55 114.88 3brb n ASP 643 Ca -0.01 0.14 -0.42 0.00 0.71 0.00 0.00 54.79 55.21 3brb n ASP 643 Cb 0.37 -0.37 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 3brb n ASP 643 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3brb s PHE 644 N -2.77 2.77 -0.37 1.24 0.08 -1.02 -4.99 117.98 112.92 3brb s PHE 644 Ca 0.22 0.84 0.00 0.00 0.12 0.00 0.00 56.93 58.11 3brb s PHE 644 Cb 0.20 -3.62 0.13 0.00 -0.57 0.00 0.00 43.02 39.16 3brb s PHE 644 CO 0.50 -2.27 0.21 0.45 -0.10 0.00 0.00 175.22 174.00 3brb s SER 645 N 2.07 3.25 -0.12 1.36 0.15 -1.26 -4.76 113.70 114.39 3brb s SER 645 Ca 0.61 -2.21 -0.11 0.00 0.70 0.00 0.00 55.95 54.95 3brb s SER 645 Cb -0.28 -0.59 0.03 0.00 -1.71 0.00 0.00 66.02 63.48 3brb s SER 645 CO 0.23 -0.31 0.32 -2.28 1.20 0.00 0.00 173.24 172.39 3brb s HIS 646 N 0.99 -0.36 0.64 3.44 5.04 -1.26 -5.05 115.29 118.73 3brb s HIS 646 Ca 0.17 0.87 0.37 0.00 -1.54 0.00 0.00 55.06 54.92 3brb s HIS 646 Cb -0.23 0.12 2.05 0.00 0.04 0.00 0.00 32.58 34.57 3brb s HIS 646 CO -0.03 -0.18 2.22 -1.00 -2.34 0.00 0.00 174.74 173.41 3brb h PRO 647 N 5.81 0.00 -0.37 2.88 0.13 -1.98 -1.76 132.00 136.71 3brb h PRO 647 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3brb h PRO 647 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3brb h PRO 647 CO 0.31 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.17 3brb n ASN 648 N -3.28 4.28 -3.93 1.44 4.13 -1.26 -4.64 115.26 112.01 3brb n ASN 648 Ca -0.02 -2.86 -0.24 0.00 1.68 0.00 0.00 54.58 53.14 3brb n ASN 648 Cb 0.18 -0.55 -0.17 0.00 -1.54 0.00 0.00 39.78 37.71 3brb n ASN 648 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3brb s VAL 649 N -2.57 0.89 0.43 2.41 1.01 -0.66 -0.88 120.40 121.04 3brb s VAL 649 Ca 0.44 -0.27 -0.24 0.00 0.00 0.00 0.00 61.98 61.90 3brb s VAL 649 Cb 0.34 -0.89 -0.08 0.00 0.00 0.00 0.00 36.38 35.75 3brb s VAL 649 CO 0.12 0.32 1.22 -0.51 0.00 0.00 0.00 175.10 176.26 3brb s ILE 650 N 1.22 2.88 -0.19 2.22 2.07 -0.51 -4.50 121.20 124.39 3brb s ILE 650 Ca -0.05 0.72 -0.05 0.00 -1.41 0.00 0.00 60.65 59.86 3brb s ILE 650 Cb -0.14 -3.40 -0.03 0.00 0.13 0.00 0.00 42.46 39.03 3brb s ILE 650 CO -0.02 0.05 -0.00 -0.60 -1.91 0.00 0.00 174.94 172.45 3brb s ARG 651 N -2.46 3.65 0.06 3.50 3.52 -1.26 -4.99 118.95 120.97 3brb s ARG 651 Ca 0.60 -0.51 -0.31 0.00 -0.13 0.00 0.00 55.73 55.39 3brb s ARG 651 Cb -0.33 -3.06 -0.07 0.00 -1.56 0.00 0.00 34.95 29.93 3brb s ARG 651 CO 0.41 0.07 1.52 -1.17 -0.81 0.00 0.00 175.30 175.33 3brb s LEU 652 N 0.84 4.35 0.06 -0.88 2.96 -1.26 -4.38 118.68 120.38 3brb s LEU 652 Ca 0.01 2.35 -0.04 0.00 -0.22 0.00 0.00 54.13 56.23 3brb s LEU 652 Cb -0.14 -3.57 -0.28 0.00 0.50 0.00 0.00 46.19 42.70 3brb s LEU 652 CO 0.02 -0.79 1.08 -0.07 -1.32 0.00 0.00 176.35 175.27 3brb h LEU 653 N 8.05 0.40 0.00 -0.68 3.38 -1.32 -3.40 115.31 121.74 3brb h LEU 653 Ca -0.41 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.11 3brb h LEU 653 Cb 1.20 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3brb h LEU 653 CO 0.91 1.36 0.00 0.61 0.09 0.00 0.00 178.44 181.41 3brb n GLY 654 N 1.56 -1.47 3.08 0.83 0.00 -1.22 -5.00 105.19 102.96 3brb n GLY 654 Ca -0.10 -1.15 -0.21 0.00 0.00 0.00 0.00 46.02 44.57 3brb n GLY 654 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3brb s VAL 655 N -2.91 0.96 -0.09 1.61 -7.23 0.48 -1.68 120.40 111.54 3brb s VAL 655 Ca 0.00 -0.53 -0.05 0.00 -1.81 0.00 0.00 61.98 59.59 3brb s VAL 655 Cb 0.00 -0.80 -0.04 0.00 0.56 0.00 0.00 36.38 36.10 3brb s VAL 655 CO 0.00 0.26 0.12 0.00 -0.31 0.00 0.00 175.10 175.17 3brb s ILE 657 N -1.06 2.09 -0.19 0.00 1.01 -1.26 -0.42 121.20 121.37 3brb s ILE 657 Ca 0.17 -1.28 0.04 0.00 0.00 0.00 0.00 60.65 59.59 3brb s ILE 657 Cb -0.12 -2.05 -0.14 0.00 0.01 0.00 0.00 42.46 40.15 3brb s ILE 657 CO 0.07 0.25 -0.12 -0.62 0.00 0.00 0.00 174.94 174.52 3brb n GLU 658 N 4.53 0.72 -2.03 2.79 1.02 -1.26 -4.92 120.64 121.50 3brb n GLU 658 Ca -0.17 0.09 -0.01 0.00 -0.02 0.00 0.00 57.16 57.04 3brb n GLU 658 Cb 0.46 -1.39 -0.01 0.00 -0.02 0.00 0.00 31.44 30.48 3brb n GLU 658 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 3brb n LYS 666 N -2.96 -3.42 -2.57 3.49 2.85 -1.26 -5.21 118.16 109.09 3brb n LYS 666 Ca -0.32 2.67 -0.40 0.00 -1.05 0.00 0.00 58.31 59.20 3brb n LYS 666 Cb 0.90 -3.52 -0.05 0.00 -0.65 0.00 0.00 35.03 31.71 3brb n LYS 666 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 3brb s PRO 667 N -0.97 4.68 -0.07 -1.58 0.04 -1.26 -4.98 135.00 130.87 3brb s PRO 667 Ca -0.07 1.68 0.02 0.00 0.04 0.00 0.00 61.00 62.68 3brb s PRO 667 Cb 0.00 -3.25 0.01 0.00 0.04 0.00 0.00 34.50 31.31 3brb s PRO 667 CO 0.18 0.24 -0.12 -1.64 0.04 0.00 0.00 177.00 175.70 3brb s MET 668 N -0.95 1.66 -0.08 4.56 -1.94 0.44 -2.24 119.30 120.75 3brb s MET 668 Ca 0.45 -0.39 -0.04 0.00 -1.71 0.00 0.00 55.69 54.00 3brb s MET 668 Cb -0.29 -1.40 -0.04 0.00 2.01 0.00 0.00 34.83 35.11 3brb s MET 668 CO 0.36 0.00 0.11 0.14 -0.01 0.00 0.00 175.02 175.62 3brb s VAL 669 N 0.75 5.13 -0.22 -6.03 -7.23 0.35 -1.06 120.40 112.09 3brb s VAL 669 Ca -0.13 -0.02 -0.02 0.00 -1.81 0.00 0.00 61.98 60.00 3brb s VAL 669 Cb -0.16 -3.26 0.01 0.00 0.56 0.00 0.00 36.38 33.54 3brb s VAL 669 CO 0.03 0.54 -0.09 -0.63 -0.31 0.00 0.00 175.10 174.63 3brb s ILE 670 N -1.06 2.83 0.15 -0.62 -1.09 -0.67 -1.58 121.20 119.16 3brb s ILE 670 Ca 0.17 -0.81 0.09 0.00 -2.23 0.00 0.00 60.65 57.87 3brb s ILE 670 Cb -0.12 -2.32 -0.04 0.00 -1.58 0.00 0.00 42.46 38.40 3brb s ILE 670 CO 0.07 0.37 -0.20 -0.76 -1.23 0.00 0.00 174.94 173.19 3brb s LEU 671 N 1.37 2.41 0.43 2.97 1.43 -0.35 -0.77 118.68 126.17 3brb s LEU 671 Ca 0.03 -0.82 -0.26 0.00 -1.03 0.00 0.00 54.13 52.05 3brb s LEU 671 Cb -0.15 -0.89 -0.09 0.00 0.03 0.00 0.00 46.19 45.09 3brb s LEU 671 CO -0.06 0.01 1.39 -2.16 0.23 0.00 0.00 176.35 175.76 3brb s PRO 672 N -2.57 3.82 0.05 1.29 0.04 -1.26 -0.53 135.00 135.83 3brb s PRO 672 Ca 0.14 2.34 -0.30 0.00 0.04 0.00 0.00 61.00 63.23 3brb s PRO 672 Cb -0.07 -2.72 -0.04 0.00 0.04 0.00 0.00 34.50 31.71 3brb s PRO 672 CO 0.06 -0.68 1.00 0.12 0.04 0.00 0.00 177.00 177.54 3brb s PHE 673 N -1.21 3.68 -0.45 0.56 5.36 -0.48 -4.39 117.98 121.05 3brb s PHE 673 Ca 0.59 1.69 -0.10 0.00 -0.96 0.00 0.00 56.93 58.14 3brb s PHE 673 Cb -0.42 -3.14 0.09 0.00 -0.34 0.00 0.00 43.02 39.22 3brb s PHE 673 CO 0.54 -0.10 0.32 -1.64 -1.46 0.00 0.00 175.22 172.88 3brb s MET 674 N 0.66 2.63 0.56 10.12 -1.94 -1.26 -4.91 119.30 125.16 3brb s MET 674 Ca 0.51 -1.55 0.24 0.00 -1.71 0.00 0.00 55.69 53.18 3brb s MET 674 Cb -0.23 -3.90 1.50 0.00 2.01 0.00 0.00 34.83 34.22 3brb s MET 674 CO 0.29 -1.06 2.11 1.57 -0.01 0.00 0.00 175.02 177.93 3brb h LYS 675 N 8.49 0.00 -0.01 2.03 2.10 -1.95 -1.96 116.57 125.27 3brb h LYS 675 Ca -0.23 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.42 3brb h LYS 675 Cb 1.08 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.41 3brb h LYS 675 CO 0.82 0.00 -0.19 0.66 -2.00 0.00 0.00 179.45 178.74 3brb n TYR 676 N -4.16 0.00 -4.31 0.07 4.01 -1.26 -5.03 117.16 106.48 3brb n TYR 676 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 3brb n TYR 676 Cb 0.28 -0.12 0.00 0.00 -0.31 0.00 0.00 39.34 39.19 3brb n TYR 676 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3brb n GLY 677 N 1.30 -0.77 3.88 2.72 0.00 -0.74 -4.77 105.19 106.81 3brb n GLY 677 Ca 0.14 -1.16 -0.30 0.00 0.00 0.00 0.00 46.02 44.69 3brb n GLY 677 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3brb s ASP 678 N -4.00 6.55 0.32 1.61 -4.77 -1.26 -0.66 116.67 114.46 3brb s ASP 678 Ca 0.00 1.07 0.08 0.00 -3.30 0.00 0.00 52.55 50.40 3brb s ASP 678 Cb 0.00 -2.29 0.53 0.00 -1.09 0.00 0.00 42.92 40.07 3brb s ASP 678 CO 0.00 -0.31 1.74 0.25 0.70 0.00 0.00 175.17 177.55 3brb h LEU 679 N 1.57 0.18 0.24 2.11 5.85 -0.07 -2.80 115.31 122.39 3brb h LEU 679 Ca -0.47 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.16 3brb h LEU 679 Cb 1.18 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.17 3brb h LEU 679 CO 0.65 0.56 -0.12 -0.74 -0.34 0.00 0.00 178.44 178.45 3brb h HIS 680 N 0.15 -0.30 -0.78 1.25 2.76 -1.78 0.24 115.15 116.68 3brb h HIS 680 Ca 0.01 -0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.24 3brb h HIS 680 Cb 0.77 0.10 -0.06 0.00 1.55 0.00 0.00 27.41 29.77 3brb h HIS 680 CO 0.01 -0.11 0.47 1.15 -1.30 0.00 0.00 177.93 178.15 3brb h THR 681 N -0.43 1.02 -0.33 6.26 2.02 -1.89 -1.81 112.91 117.75 3brb h THR 681 Ca -0.03 -0.30 0.04 0.00 0.77 0.00 0.00 66.41 66.90 3brb h THR 681 Cb 0.32 0.08 -0.04 0.00 -1.74 0.00 0.00 68.15 66.77 3brb h THR 681 CO 0.05 0.16 0.09 0.22 0.37 0.00 0.00 175.52 176.41 3brb h TYR 682 N 0.86 0.15 -0.63 3.16 5.03 -1.26 0.16 116.97 124.44 3brb h TYR 682 Ca 0.34 0.02 0.05 0.00 2.58 0.00 0.00 58.73 61.72 3brb h TYR 682 Cb 0.17 -0.02 -0.05 0.00 1.55 0.00 0.00 36.73 38.38 3brb h TYR 682 CO -0.05 0.05 0.36 -0.07 -1.32 0.00 0.00 178.16 177.13 3brb h LEU 683 N 0.21 0.55 -0.59 2.82 3.38 -0.38 -1.84 115.31 119.47 3brb h LEU 683 Ca 0.15 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 3brb h LEU 683 Cb 0.16 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 3brb h LEU 683 CO -0.19 0.37 0.28 -0.07 0.09 0.00 0.00 178.44 178.92 3brb h LEU 684 N 0.69 0.78 -1.69 1.67 3.38 -0.91 -2.95 115.31 116.28 3brb h LEU 684 Ca 0.27 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3brb h LEU 684 Cb 0.12 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3brb h LEU 684 CO -0.15 0.69 0.10 1.88 0.09 0.00 0.00 178.44 181.05 3brb h TYR 685 N 0.80 0.30 0.00 1.13 0.99 -0.52 -2.32 116.97 117.35 3brb h TYR 685 Ca 0.20 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.93 3brb h TYR 685 Cb 0.13 -0.10 0.00 0.00 1.00 0.00 0.00 36.73 37.76 3brb h TYR 685 CO 0.00 0.23 0.00 0.66 -0.00 0.00 0.00 178.16 179.05 3brb h SER 686 N 0.31 0.00 -0.28 3.88 4.64 -1.16 0.20 113.55 121.13 3brb h SER 686 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3brb h SER 686 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 3brb h SER 686 CO -0.01 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.49 3brb n ARG 687 N -2.49 1.99 -4.40 4.77 1.74 -0.87 -4.14 116.66 113.26 3brb n ARG 687 Ca -0.00 -1.50 -0.19 0.00 -0.77 0.00 0.00 57.85 55.39 3brb n ARG 687 Cb 0.14 -1.41 -0.15 0.00 -1.02 0.00 0.00 32.46 30.02 3brb n ARG 687 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3brb s LEU 688 N -1.42 1.99 0.63 0.55 1.43 0.06 -5.12 118.68 116.81 3brb s LEU 688 Ca 0.33 -0.17 -0.17 0.00 -1.03 0.00 0.00 54.13 53.08 3brb s LEU 688 Cb 0.18 -0.50 -0.05 0.00 0.03 0.00 0.00 46.19 45.85 3brb s LEU 688 CO 0.26 0.11 0.70 -0.62 0.23 0.00 0.00 176.35 177.04 3brb n GLU 689 N 2.89 0.57 -0.22 1.70 -0.58 -1.26 -1.70 120.64 122.04 3brb n GLU 689 Ca -0.14 0.23 0.00 0.00 -0.42 0.00 0.00 57.16 56.83 3brb n GLU 689 Cb 0.56 -1.93 0.00 0.00 -0.57 0.00 0.00 31.44 29.51 3brb n GLU 689 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 3brb n THR 690 N -1.96 0.00 -2.52 2.62 -2.24 -1.26 -5.00 114.28 103.92 3brb n THR 690 Ca 0.12 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.67 3brb n THR 690 Cb 0.48 -0.07 0.13 0.00 -2.10 0.00 0.00 70.33 68.77 3brb n THR 690 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3brb n GLY 691 N -2.00 0.39 3.52 3.38 0.00 -0.69 -5.07 105.19 104.72 3brb n GLY 691 Ca 0.00 -1.99 -0.30 0.00 0.00 0.00 0.00 46.02 43.73 3brb n GLY 691 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3brb n PRO 692 N -2.92 -1.49 -0.97 1.61 -0.04 -1.26 -4.92 135.00 125.00 3brb n PRO 692 Ca 0.16 -0.39 -0.30 0.00 -0.04 0.00 0.00 63.50 62.93 3brb n PRO 692 Cb 0.58 -2.17 0.24 0.00 -0.04 0.00 0.00 33.50 32.11 3brb n PRO 692 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 3brb s LYS 693 N -4.32 -1.31 0.10 0.54 0.00 -1.26 -4.38 119.74 109.10 3brb s LYS 693 Ca 0.66 0.04 -0.35 0.00 0.00 0.00 0.00 55.97 56.32 3brb s LYS 693 Cb -0.23 -1.58 -0.15 0.00 0.00 0.00 0.00 37.83 35.87 3brb s LYS 693 CO 0.63 -3.79 1.50 1.58 0.00 0.00 0.00 175.35 175.27 3brb n HIS 694 N -4.84 1.95 -3.07 1.78 -0.00 -1.26 -4.74 115.22 105.05 3brb n HIS 694 Ca 0.12 0.42 -0.42 0.00 0.46 0.00 0.00 57.72 58.30 3brb n HIS 694 Cb 0.59 -2.46 -0.06 0.00 -0.12 0.00 0.00 29.99 27.94 3brb n HIS 694 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 3brb s ILE 695 N 1.03 4.86 0.88 3.57 1.01 -1.26 -5.05 121.20 126.24 3brb s ILE 695 Ca 0.83 0.75 -0.11 0.00 0.00 0.00 0.00 60.65 62.12 3brb s ILE 695 Cb -0.81 -4.09 0.12 0.00 0.01 0.00 0.00 42.46 37.69 3brb s ILE 695 CO 0.44 -0.30 1.09 -2.16 0.00 0.00 0.00 174.94 174.01 3brb s PRO 696 N 2.79 1.37 0.25 2.79 0.04 -1.26 -4.81 135.00 136.17 3brb s PRO 696 Ca 0.27 0.84 -0.03 0.00 0.04 0.00 0.00 61.00 62.12 3brb s PRO 696 Cb -0.14 -1.82 0.46 0.00 0.04 0.00 0.00 34.50 33.04 3brb s PRO 696 CO 0.14 -2.17 1.77 1.25 0.04 0.00 0.00 177.00 178.03 3brb h LEU 697 N -1.50 0.50 -1.37 -3.56 5.85 -2.00 -1.74 115.31 111.50 3brb h LEU 697 Ca -0.49 0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.34 3brb h LEU 697 Cb 1.28 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.27 3brb h LEU 697 CO 0.54 0.24 0.44 1.56 -0.34 0.00 0.00 178.44 180.89 3brb h GLN 698 N 0.62 0.82 -0.17 1.25 7.50 -1.97 -1.38 115.11 121.77 3brb h GLN 698 Ca 0.42 -0.05 -0.19 0.00 0.50 0.00 0.00 58.65 59.33 3brb h GLN 698 Cb 0.55 -0.18 0.00 0.00 0.05 0.00 0.00 27.48 27.90 3brb h GLN 698 CO -0.33 0.54 -0.67 1.15 -1.50 0.00 0.00 178.83 178.02 3brb h THR 699 N 0.84 1.31 -0.37 -0.54 2.02 -1.69 -2.08 112.91 112.40 3brb h THR 699 Ca 0.26 -1.92 -0.05 0.00 0.77 0.00 0.00 66.41 65.47 3brb h THR 699 Cb 0.00 1.89 -0.01 0.00 -1.74 0.00 0.00 68.15 68.29 3brb h THR 699 CO -0.07 0.60 0.02 -0.07 0.37 0.00 0.00 175.52 176.38 3brb h LEU 700 N 0.48 0.63 -0.95 2.58 3.38 -0.93 -1.37 115.31 119.13 3brb h LEU 700 Ca -0.02 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 57.67 3brb h LEU 700 Cb 1.26 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.80 3brb h LEU 700 CO 0.13 0.76 0.62 -0.07 0.09 0.00 0.00 178.44 179.97 3brb h LEU 701 N 0.47 1.10 -0.64 1.67 3.38 -1.33 -2.27 115.31 117.69 3brb h LEU 701 Ca 0.11 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 3brb h LEU 701 Cb 0.43 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 3brb h LEU 701 CO 0.01 0.80 0.31 0.50 0.09 0.00 0.00 178.44 180.16 3brb h LYS 702 N 1.29 0.92 -0.58 1.13 1.63 -1.10 -0.44 116.57 119.42 3brb h LYS 702 Ca 0.35 -0.14 0.09 0.00 -0.85 0.00 0.00 60.65 60.10 3brb h LYS 702 Cb -0.13 -0.17 -0.07 0.00 -0.60 0.00 0.00 32.23 31.26 3brb h LYS 702 CO -0.07 0.74 0.20 0.74 -3.45 0.00 0.00 179.45 177.60 3brb h PHE 703 N 0.88 0.35 -0.59 1.91 0.04 -0.98 -0.43 116.94 118.13 3brb h PHE 703 Ca 0.22 0.03 -0.06 0.00 2.80 0.00 0.00 57.97 60.96 3brb h PHE 703 Cb 0.12 -0.07 -0.02 0.00 2.20 0.00 0.00 35.95 38.18 3brb h PHE 703 CO 0.00 0.08 0.15 0.52 -0.60 0.00 0.00 178.31 178.46 3brb h MET 704 N 0.37 0.94 -0.48 1.51 2.86 -0.97 -2.10 114.93 117.07 3brb h MET 704 Ca 0.29 -0.22 0.03 0.00 -2.06 0.00 0.00 59.70 57.74 3brb h MET 704 Cb 0.36 -0.13 -0.04 0.00 0.06 0.00 0.00 31.60 31.86 3brb h MET 704 CO -0.30 0.86 0.26 0.28 1.06 0.00 0.00 176.91 179.06 3brb h VAL 705 N 0.85 0.99 -0.34 -2.22 2.07 -0.75 0.56 116.25 117.40 3brb h VAL 705 Ca 0.19 -0.17 0.05 0.00 0.82 0.00 0.00 66.70 67.59 3brb h VAL 705 Cb 0.34 0.44 -0.05 0.00 -1.52 0.00 0.00 31.29 30.50 3brb h VAL 705 CO 0.00 0.09 0.05 0.44 0.02 0.00 0.00 177.57 178.17 3brb h ASP 706 N 0.51 -0.04 -0.31 0.57 3.32 -0.92 -0.37 116.42 119.19 3brb h ASP 706 Ca 0.20 0.06 -0.11 0.00 0.02 0.00 0.00 57.03 57.20 3brb h ASP 706 Cb 0.08 0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 3brb h ASP 706 CO -0.13 0.02 -0.25 0.40 -1.72 0.00 0.00 179.24 177.56 3brb h ILE 707 N 0.16 1.30 -0.54 0.35 2.04 -1.11 -2.13 117.51 117.57 3brb h ILE 707 Ca 0.16 -1.41 0.07 0.00 1.00 0.00 0.00 64.86 64.69 3brb h ILE 707 Cb 0.20 1.52 -0.06 0.00 -0.74 0.00 0.00 36.82 37.74 3brb h ILE 707 CO -0.23 0.45 0.21 0.00 0.00 0.00 0.00 178.15 178.59 3brb h ALA 708 N 0.73 0.69 -0.52 1.87 0.00 -0.66 0.48 119.26 121.84 3brb h ALA 708 Ca 0.05 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.06 3brb h ALA 708 Cb 0.82 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 3brb h ALA 708 CO 0.07 -0.18 0.28 -0.07 0.00 0.00 0.00 179.25 179.35 3brb h LEU 709 N 0.41 0.43 -0.52 0.00 3.38 -0.86 0.15 115.31 118.29 3brb h LEU 709 Ca 0.26 0.02 -0.11 0.00 0.09 0.00 0.00 57.88 58.14 3brb h LEU 709 Cb 0.27 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3brb h LEU 709 CO -0.25 0.30 -0.09 1.23 0.09 0.00 0.00 178.44 179.72 3brb h GLY 710 N 0.56 1.07 1.50 0.83 0.00 -1.15 -0.64 103.07 105.24 3brb h GLY 710 Ca 0.22 -0.85 -0.09 0.00 0.00 0.00 0.00 47.33 46.61 3brb h GLY 710 CO -0.13 0.78 -0.20 -0.33 0.00 0.00 0.00 176.54 176.65 3brb h MET 711 N 0.85 0.58 -0.49 4.80 2.86 -0.62 -1.91 114.93 121.00 3brb h MET 711 Ca 0.14 -0.21 -0.04 0.00 -2.06 0.00 0.00 59.70 57.53 3brb h MET 711 Cb 0.64 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.24 3brb h MET 711 CO 0.04 0.75 0.17 1.49 1.06 0.00 0.00 176.91 180.42 3brb h GLU 712 N 0.52 0.76 -0.32 1.72 4.81 -0.40 -0.32 114.58 121.35 3brb h GLU 712 Ca 0.08 -0.16 0.02 0.00 -0.13 0.00 0.00 59.36 59.18 3brb h GLU 712 Cb 0.64 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.88 3brb h GLU 712 CO 0.05 0.70 0.15 -0.92 -0.73 0.00 0.00 179.01 178.25 3brb h TYR 713 N 0.66 0.27 -0.29 0.92 3.20 -0.89 -0.29 116.97 120.55 3brb h TYR 713 Ca 0.16 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.99 3brb h TYR 713 Cb 0.25 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 3brb h TYR 713 CO 0.01 0.14 -0.03 -0.07 -1.64 0.00 0.00 178.16 176.58 3brb h LEU 714 N 0.31 0.52 -0.87 2.82 3.38 -1.09 -3.11 115.31 117.28 3brb h LEU 714 Ca 0.14 -0.33 0.04 0.00 0.09 0.00 0.00 57.88 57.81 3brb h LEU 714 Cb 0.06 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 3brb h LEU 714 CO -0.10 0.73 0.56 -1.28 0.09 0.00 0.00 178.44 178.44 3brb h SER 715 N 0.31 0.92 -0.00 -0.43 0.87 -0.99 -0.43 113.55 113.80 3brb h SER 715 Ca 0.08 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 3brb h SER 715 Cb 0.48 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 62.24 3brb h SER 715 CO 0.02 0.63 0.04 0.78 -0.53 0.00 0.00 176.83 177.76 3brb h ASN 716 N 1.08 0.00 -0.43 6.23 2.35 -0.99 -0.89 115.58 122.93 3brb h ASN 716 Ca 0.35 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.10 3brb h ASN 716 Cb 0.02 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.39 3brb h ASN 716 CO -0.12 0.00 0.00 0.54 -1.65 0.00 0.00 177.43 176.20 3brb n ARG 717 N -3.07 2.67 -4.01 0.81 1.74 -0.28 -4.98 116.66 109.54 3brb n ARG 717 Ca -0.03 -2.17 -0.32 0.00 -0.77 0.00 0.00 57.85 54.56 3brb n ARG 717 Cb 0.10 -1.36 0.01 0.00 -1.02 0.00 0.00 32.46 30.19 3brb n ARG 717 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3brb n ASN 718 N 0.87 -3.96 -4.39 0.55 3.02 -0.34 -4.96 115.26 106.06 3brb n ASN 718 Ca 0.15 -0.87 -0.37 0.00 -0.03 0.00 0.00 54.58 53.46 3brb n ASN 718 Cb 0.48 -3.48 -0.12 0.00 -0.61 0.00 0.00 39.78 36.04 3brb n ASN 718 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3brb s PHE 719 N -3.34 3.12 0.19 3.10 2.19 -0.56 -5.01 117.98 117.67 3brb s PHE 719 Ca 0.63 -0.75 -0.29 0.00 0.33 0.00 0.00 56.93 56.85 3brb s PHE 719 Cb -0.33 -2.26 -0.08 0.00 -1.31 0.00 0.00 43.02 39.04 3brb s PHE 719 CO 0.87 -0.49 0.92 -0.51 1.83 0.00 0.00 175.22 177.83 3brb s LEU 720 N 1.55 4.60 -0.13 6.12 1.02 -1.26 -4.24 118.68 126.34 3brb s LEU 720 Ca 0.04 1.85 -0.16 0.00 0.02 0.00 0.00 54.13 55.89 3brb s LEU 720 Cb -0.16 -3.55 -0.14 0.00 0.02 0.00 0.00 46.19 42.36 3brb s LEU 720 CO 0.03 0.11 0.34 -0.74 0.02 0.00 0.00 176.35 176.11 3brb h HIS 721 N 4.55 0.00 0.00 0.29 -0.00 -1.97 -3.36 115.15 114.66 3brb h HIS 721 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.92 3brb h HIS 721 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.61 3brb h HIS 721 CO 0.62 0.62 0.00 0.54 -0.00 0.00 0.00 177.93 179.71 3brb n ARG 722 N -4.65 -0.62 -2.67 5.26 1.74 -1.26 -3.32 116.66 111.14 3brb n ARG 722 Ca -0.09 0.16 -0.04 0.00 -0.77 0.00 0.00 57.85 57.11 3brb n ARG 722 Cb 0.32 -3.71 0.13 0.00 -1.02 0.00 0.00 32.46 28.18 3brb n ARG 722 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3brb n ASP 723 N -0.31 -1.59 -4.75 0.55 2.03 -1.26 -5.07 116.55 106.14 3brb n ASP 723 Ca 0.00 -2.28 -0.40 0.00 0.52 0.00 0.00 54.79 52.63 3brb n ASP 723 Cb 0.16 0.79 -0.05 0.00 -0.72 0.00 0.00 41.12 41.29 3brb n ASP 723 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3brb s LEU 724 N -3.81 4.61 0.00 -2.67 2.96 -1.26 -4.83 118.68 113.69 3brb s LEU 724 Ca 0.13 2.05 0.00 0.00 -0.22 0.00 0.00 54.13 56.08 3brb s LEU 724 Cb 0.43 -3.63 0.00 0.00 0.50 0.00 0.00 46.19 43.49 3brb s LEU 724 CO -0.12 0.06 0.00 0.00 -1.32 0.00 0.00 176.35 174.97 3brb n ALA 725 N 1.37 0.00 0.22 5.97 0.00 -1.26 -4.82 120.51 121.98 3brb n ALA 725 Ca -0.02 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.48 3brb n ALA 725 Cb 0.46 0.00 0.49 0.00 0.00 0.00 0.00 19.45 20.41 3brb n ALA 725 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3brb h ALA 726 N 0.00 1.47 0.00 0.00 0.00 -1.94 0.26 119.26 119.05 3brb h ALA 726 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3brb h ALA 726 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3brb h ALA 726 CO 0.00 0.30 0.00 2.89 0.00 0.00 0.00 179.25 182.44 3brb n ARG 727 N -4.07 0.17 -0.34 0.00 1.85 -1.26 -1.97 116.66 111.05 3brb n ARG 727 Ca -0.02 0.55 0.08 0.00 -1.00 0.00 0.00 57.85 57.46 3brb n ARG 727 Cb 0.31 -1.94 0.22 0.00 -1.05 0.00 0.00 32.46 30.00 3brb n ARG 727 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3brb n ASN 728 N -2.28 3.48 -4.33 2.89 3.02 0.07 -4.76 115.26 113.37 3brb n ASN 728 Ca 0.00 -2.68 -0.35 0.00 -0.03 0.00 0.00 54.58 51.52 3brb n ASN 728 Cb 0.12 -0.43 -0.14 0.00 -0.61 0.00 0.00 39.78 38.72 3brb n ASN 728 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3brb s MET 730 N 1.33 3.07 -0.26 0.00 -1.94 0.32 0.41 119.30 122.23 3brb s MET 730 Ca 0.04 -0.67 -0.11 0.00 -1.71 0.00 0.00 55.69 53.24 3brb s MET 730 Cb -0.14 -2.80 -0.05 0.00 2.01 0.00 0.00 34.83 33.84 3brb s MET 730 CO -0.02 0.55 0.19 -0.51 -0.01 0.00 0.00 175.02 175.22 3brb s LEU 731 N -2.68 4.06 0.84 -0.03 1.43 0.17 -1.08 118.68 121.39 3brb s LEU 731 Ca 0.31 0.06 -0.12 0.00 -1.03 0.00 0.00 54.13 53.36 3brb s LEU 731 Cb -0.12 -2.14 0.10 0.00 0.03 0.00 0.00 46.19 44.06 3brb s LEU 731 CO 0.24 -0.02 1.13 -0.13 0.23 0.00 0.00 176.35 177.81 3brb s ARG 732 N 1.52 1.71 0.57 1.70 0.52 -0.33 -4.21 118.95 120.43 3brb s ARG 732 Ca 0.08 0.36 0.37 0.00 -0.52 0.00 0.00 55.73 56.02 3brb s ARG 732 Cb -0.15 -1.90 1.80 0.00 0.52 0.00 0.00 34.95 35.22 3brb s ARG 732 CO 0.09 -1.82 2.12 -0.44 0.02 0.00 0.00 175.30 175.27 3brb h ASP 733 N -1.23 0.00 -0.61 0.23 3.32 -1.97 0.38 116.42 116.54 3brb h ASP 733 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 3brb h ASP 733 Cb 1.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.86 3brb h ASP 733 CO 0.62 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 177.24 3brb n ASP 734 N -2.99 3.49 -0.64 6.45 5.75 -1.26 -4.95 116.55 122.41 3brb n ASP 734 Ca -0.01 -2.07 -0.08 0.00 -0.01 0.00 0.00 54.79 52.61 3brb n ASP 734 Cb 0.18 -0.44 -0.04 0.00 -1.03 0.00 0.00 41.12 39.80 3brb n ASP 734 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 3brb n MET 735 N 1.26 -0.98 -2.59 0.11 2.81 0.12 -5.02 117.12 112.82 3brb n MET 735 Ca 0.21 0.72 -0.37 0.00 -1.81 0.00 0.00 57.70 56.46 3brb n MET 735 Cb 0.57 -4.71 -0.05 0.00 -0.71 0.00 0.00 33.22 28.33 3brb n MET 735 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 3brb s THR 736 N -2.11 3.81 -0.02 2.03 -4.23 -1.26 -4.80 115.64 109.07 3brb s THR 736 Ca 0.00 1.45 -0.14 0.00 -1.18 0.00 0.00 61.69 61.82 3brb s THR 736 Cb 0.00 -3.78 -0.05 0.00 1.34 0.00 0.00 72.50 70.00 3brb s THR 736 CO 0.00 0.07 0.38 -0.69 -0.54 0.00 0.00 174.62 173.84 3brb s VAL 737 N -1.60 5.09 0.05 2.29 1.01 -1.26 -1.18 120.40 124.79 3brb s VAL 737 Ca 0.55 0.77 0.07 0.00 0.00 0.00 0.00 61.98 63.36 3brb s VAL 737 Cb -0.22 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.45 3brb s VAL 737 CO 0.28 0.57 -0.18 0.00 0.00 0.00 0.00 175.10 175.77 3brb s VAL 739 N -0.84 4.35 0.27 0.00 -7.23 -0.06 -0.52 120.40 116.37 3brb s VAL 739 Ca 0.05 1.56 -0.08 0.00 -1.81 0.00 0.00 61.98 61.70 3brb s VAL 739 Cb -0.09 -3.73 -0.01 0.00 0.56 0.00 0.00 36.38 33.12 3brb s VAL 739 CO 0.02 -0.17 0.44 0.00 -0.31 0.00 0.00 175.10 175.08 3brb s ALA 740 N -1.99 0.23 -1.28 1.32 0.00 -0.14 -1.43 121.76 118.47 3brb s ALA 740 Ca 0.58 -1.17 -0.02 0.00 0.00 0.00 0.00 51.96 51.34 3brb s ALA 740 Cb -0.12 1.12 0.00 0.00 0.00 0.00 0.00 23.12 24.13 3brb s ALA 740 CO 0.17 -0.81 0.31 -0.25 0.00 0.00 0.00 175.76 175.18 3brb n ASP 741 N -0.70 -5.03 -4.98 0.00 8.00 -1.26 -4.79 116.55 107.77 3brb n ASP 741 Ca -0.01 -0.15 -0.19 0.00 0.71 0.00 0.00 54.79 55.15 3brb n ASP 741 Cb 0.62 -3.97 -0.01 0.00 -0.02 0.00 0.00 41.12 37.74 3brb n ASP 741 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 3brb s PHE 742 N -2.96 3.14 0.42 1.24 -0.12 -1.26 -4.68 117.98 113.76 3brb s PHE 742 Ca 0.15 -0.20 0.00 0.00 -0.05 0.00 0.00 56.93 56.83 3brb s PHE 742 Cb -0.07 -1.94 0.00 0.00 -0.63 0.00 0.00 43.02 40.38 3brb s PHE 742 CO 0.19 0.04 0.00 0.41 -0.05 0.00 0.00 175.22 175.81 3brb n GLY 743 N -1.61 -2.29 3.54 1.99 0.00 -1.21 -4.84 105.19 100.77 3brb n GLY 743 Ca -0.01 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.93 3brb n GLY 743 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3brb n LEU 744 N -4.24 0.28 -1.16 0.99 4.77 -1.26 -5.11 117.00 111.27 3brb n LEU 744 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 3brb n LEU 744 Cb 0.68 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 3brb n LEU 744 CO 0.02 -0.14 -0.33 -0.24 -1.33 0.00 0.00 177.39 175.37 3brb n SER 745 N 0.00 -6.55 0.00 -1.43 2.88 -1.26 -5.16 113.62 102.09 3brb n SER 745 Ca 0.00 0.93 0.00 0.00 -1.33 0.00 0.00 58.87 58.47 3brb n SER 745 Cb 0.00 -3.25 0.00 0.00 -0.75 0.00 0.00 64.21 60.21 3brb n SER 745 CO 0.00 0.00 0.00 1.15 -1.23 0.00 0.00 175.04 174.96 3brb n MET 762 N -0.97 0.00 -1.74 -1.46 -0.00 -1.26 -5.21 117.12 106.48 3brb n MET 762 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 57.70 57.30 3brb n MET 762 Cb 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 33.22 33.22 3brb n MET 762 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 3brb n PRO 763 N 0.00 4.11 -0.33 3.17 -0.04 -1.26 -4.73 135.00 135.92 3brb n PRO 763 Ca 0.00 -2.94 0.21 0.00 -0.04 0.00 0.00 63.50 60.73 3brb n PRO 763 Cb 0.00 -2.75 0.44 0.00 -0.04 0.00 0.00 33.50 31.15 3brb n PRO 763 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3brb h VAL 764 N 2.89 0.33 0.00 0.52 2.07 -1.96 -0.40 116.25 119.71 3brb h VAL 764 Ca 0.75 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 68.15 3brb h VAL 764 Cb 0.33 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.06 3brb h VAL 764 CO 1.63 0.06 0.00 0.29 0.02 0.00 0.00 177.57 179.57 3brb n LYS 765 N -5.05 0.59 -0.00 1.57 5.02 -1.26 -1.78 118.16 117.25 3brb n LYS 765 Ca 0.30 0.03 0.07 0.00 -2.02 0.00 0.00 58.31 56.68 3brb n LYS 765 Cb 0.91 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 34.33 3brb n LYS 765 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 3brb n TRP 766 N -1.10 0.00 -3.12 2.13 8.01 -0.16 -4.97 117.44 118.23 3brb n TRP 766 Ca 0.15 0.00 -0.39 0.00 -1.31 0.00 0.00 57.50 55.95 3brb n TRP 766 Cb 0.11 -0.00 -0.05 0.00 -2.01 0.00 0.00 31.31 29.36 3brb n TRP 766 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.69 177.10 3brb s ILE 767 N -2.42 5.07 0.63 -0.99 1.01 -0.73 -3.93 121.20 119.83 3brb s ILE 767 Ca 0.06 1.27 -0.17 0.00 0.00 0.00 0.00 60.65 61.81 3brb s ILE 767 Cb 0.11 -3.97 -0.01 0.00 0.01 0.00 0.00 42.46 38.60 3brb s ILE 767 CO 0.62 0.23 1.15 0.00 0.00 0.00 0.00 174.94 176.94 3brb s ALA 768 N 1.03 2.47 0.21 9.38 0.00 -1.26 -4.74 121.76 128.84 3brb s ALA 768 Ca 0.33 0.77 -0.10 0.00 0.00 0.00 0.00 51.96 52.96 3brb s ALA 768 Cb -0.17 -3.38 0.27 0.00 0.00 0.00 0.00 23.12 19.84 3brb s ALA 768 CO 0.14 -1.25 1.74 0.82 0.00 0.00 0.00 175.76 177.22 3brb h ILE 769 N 0.42 0.78 0.00 0.00 5.03 -1.96 -0.13 117.51 121.65 3brb h ILE 769 Ca -0.48 -0.14 -0.03 0.00 -0.12 0.00 0.00 64.86 64.08 3brb h ILE 769 Cb 1.27 0.34 -0.00 0.00 -3.03 0.00 0.00 36.82 35.39 3brb h ILE 769 CO 0.54 0.07 -0.16 1.05 -0.68 0.00 0.00 178.15 178.97 3brb h GLU 770 N 0.40 0.00 0.00 2.37 9.09 -1.91 -2.02 114.58 122.51 3brb h GLU 770 Ca 0.30 0.00 -0.16 0.00 0.05 0.00 0.00 59.36 59.55 3brb h GLU 770 Cb 0.37 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.44 3brb h GLU 770 CO -0.30 0.16 -0.85 0.77 0.05 0.00 0.00 179.01 178.84 3brb h SER 771 N 0.00 0.00 -0.36 3.06 0.02 -1.18 -2.47 113.55 112.62 3brb h SER 771 Ca -0.00 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.82 3brb h SER 771 Cb 0.31 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 3brb h SER 771 CO 0.02 0.71 -0.27 -0.07 -1.14 0.00 0.00 176.83 176.07 3brb h LEU 772 N 0.00 0.87 -0.14 5.07 3.38 -0.91 -3.35 115.31 120.23 3brb h LEU 772 Ca -0.04 -0.44 -0.03 0.00 0.09 0.00 0.00 57.88 57.45 3brb h LEU 772 Cb 1.58 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 42.08 3brb h LEU 772 CO 0.09 1.12 -0.04 0.00 0.09 0.00 0.00 178.44 179.70 3brb h ALA 773 N 0.77 0.19 -1.23 1.53 0.00 -1.39 -3.47 119.26 115.66 3brb h ALA 773 Ca 0.07 -0.24 -0.61 0.00 0.00 0.00 0.00 54.91 54.13 3brb h ALA 773 Cb 0.85 -0.05 -0.13 0.00 0.00 0.00 0.00 17.79 18.46 3brb h ALA 773 CO 0.07 -0.04 -0.49 0.16 0.00 0.00 0.00 179.25 178.95 3brb s ASP 774 N -5.88 3.23 -1.18 0.00 3.84 -0.93 -5.06 116.67 110.69 3brb s ASP 774 Ca -0.14 -1.73 -0.15 0.00 -0.00 0.00 0.00 52.55 50.52 3brb s ASP 774 Cb 0.05 0.64 0.15 0.00 -1.38 0.00 0.00 42.92 42.38 3brb s ASP 774 CO 0.72 -0.98 1.44 -0.13 -0.00 0.00 0.00 175.17 176.22 3brb s ARG 775 N -3.71 4.01 -0.15 2.11 1.81 -1.26 -4.53 118.95 117.23 3brb s ARG 775 Ca 0.16 -2.37 -0.04 0.00 -1.72 0.00 0.00 55.73 51.76 3brb s ARG 775 Cb 0.01 -5.11 0.07 0.00 -0.45 0.00 0.00 34.95 29.47 3brb s ARG 775 CO 0.11 -1.84 0.24 0.08 -0.68 0.00 0.00 175.30 173.21 3brb s VAL 776 N 2.14 -0.37 -0.05 3.52 1.01 -1.26 -5.11 120.40 120.28 3brb s VAL 776 Ca 0.43 0.14 -0.02 0.00 0.00 0.00 0.00 61.98 62.53 3brb s VAL 776 Cb -0.02 -0.52 0.03 0.00 0.00 0.00 0.00 36.38 35.88 3brb s VAL 776 CO -0.00 0.00 0.07 -0.47 0.00 0.00 0.00 175.10 174.70 3brb s TYR 777 N 2.37 0.02 0.22 5.22 5.04 -1.26 -3.93 117.35 125.03 3brb s TYR 777 Ca 0.04 0.31 0.02 0.00 -2.44 0.00 0.00 57.07 54.99 3brb s TYR 777 Cb -0.13 -0.43 -0.01 0.00 0.35 0.00 0.00 41.96 41.74 3brb s TYR 777 CO -0.10 -0.20 0.06 0.25 -1.34 0.00 0.00 175.55 174.23 3brb n THR 778 N 5.23 0.00 0.08 4.34 -2.24 -1.26 -5.00 114.28 115.43 3brb n THR 778 Ca -0.05 -1.21 0.12 0.00 -2.27 0.00 0.00 64.05 60.65 3brb n THR 778 Cb 0.50 0.39 0.61 0.00 -2.10 0.00 0.00 70.33 69.73 3brb n THR 778 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3brb h SER 779 N 0.78 0.12 1.02 3.42 4.64 -2.00 -2.31 113.55 119.22 3brb h SER 779 Ca -0.17 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.09 3brb h SER 779 Cb 0.62 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.68 3brb h SER 779 CO 0.28 0.08 -0.26 0.11 -0.87 0.00 0.00 176.83 176.17 3brb h LYS 780 N 0.13 0.00 -0.24 4.77 1.79 -1.95 0.08 116.57 121.16 3brb h LYS 780 Ca 0.15 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.50 3brb h LYS 780 Cb 0.44 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.08 3brb h LYS 780 CO -0.02 0.26 -0.34 0.77 -1.08 0.00 0.00 179.45 179.03 3brb h SER 781 N 0.00 0.72 -0.99 0.86 0.02 -1.81 -1.80 113.55 110.56 3brb h SER 781 Ca -0.00 -0.51 0.06 0.00 -0.84 0.00 0.00 61.79 60.50 3brb h SER 781 Cb 0.84 -0.21 -0.07 0.00 0.14 0.00 0.00 62.40 63.10 3brb h SER 781 CO 0.03 1.09 0.64 0.44 -1.14 0.00 0.00 176.83 177.89 3brb h ASP 782 N 0.37 1.02 -0.85 3.07 3.32 -1.12 -1.63 116.42 120.61 3brb h ASP 782 Ca 0.03 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 3brb h ASP 782 Cb 0.93 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 40.23 3brb h ASP 782 CO 0.08 0.65 0.48 0.58 -1.72 0.00 0.00 179.24 179.31 3brb h VAL 783 N 1.16 1.24 -0.39 -1.35 2.07 -0.72 -0.76 116.25 117.50 3brb h VAL 783 Ca 0.43 -0.58 0.05 0.00 0.82 0.00 0.00 66.70 67.41 3brb h VAL 783 Cb 0.16 0.09 -0.05 0.00 -1.52 0.00 0.00 31.29 29.98 3brb h VAL 783 CO -0.17 0.27 0.12 -0.25 0.02 0.00 0.00 177.57 177.55 3brb h TRP 784 N 1.17 0.20 -0.25 1.57 2.91 -0.70 -1.60 115.95 119.26 3brb h TRP 784 Ca 0.30 0.02 -0.04 0.00 1.13 0.00 0.00 58.89 60.30 3brb h TRP 784 Cb 0.00 -0.03 -0.01 0.00 -0.51 0.00 0.00 29.16 28.61 3brb h TRP 784 CO 0.00 0.07 -0.00 0.00 -1.03 0.00 0.00 178.44 177.48 3brb h ALA 785 N 1.27 1.53 -0.32 2.65 0.00 -0.75 -1.41 119.26 122.23 3brb h ALA 785 Ca 0.18 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 3brb h ALA 785 Cb 0.18 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3brb h ALA 785 CO -0.20 0.34 -0.47 0.35 0.00 0.00 0.00 179.25 179.26 3brb h PHE 786 N 0.37 1.09 -0.64 0.00 3.57 -0.46 0.06 116.94 120.93 3brb h PHE 786 Ca 0.08 -0.37 0.09 0.00 3.53 0.00 0.00 57.97 61.31 3brb h PHE 786 Cb 0.25 -0.22 -0.07 0.00 2.79 0.00 0.00 35.95 38.71 3brb h PHE 786 CO 0.01 1.19 0.26 0.78 -2.23 0.00 0.00 178.31 178.32 3brb h GLY 787 N 0.68 0.91 0.95 2.40 0.00 -0.34 0.28 103.07 107.96 3brb h GLY 787 Ca 0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 3brb h GLY 787 CO 0.11 0.00 0.16 -2.08 0.00 0.00 0.00 176.54 174.73 3brb h VAL 788 N 0.46 1.14 -0.82 4.60 2.07 -1.15 -1.59 116.25 120.96 3brb h VAL 788 Ca 0.32 -0.39 0.03 0.00 0.82 0.00 0.00 66.70 67.47 3brb h VAL 788 Cb 0.38 0.84 -0.05 0.00 -1.52 0.00 0.00 31.29 30.94 3brb h VAL 788 CO -0.30 0.15 0.53 0.74 0.02 0.00 0.00 177.57 178.71 3brb h THR 789 N 0.37 1.14 -0.64 2.57 2.02 -0.38 0.30 112.91 118.30 3brb h THR 789 Ca 0.11 -0.36 0.03 0.00 0.77 0.00 0.00 66.41 66.96 3brb h THR 789 Cb 0.09 0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 66.48 3brb h THR 789 CO -0.02 0.19 0.42 0.24 0.37 0.00 0.00 175.52 176.73 3brb h MET 790 N 1.04 0.76 -0.16 6.66 2.86 -0.13 -1.60 114.93 124.37 3brb h MET 790 Ca 0.32 -0.05 -0.12 0.00 -2.06 0.00 0.00 59.70 57.80 3brb h MET 790 Cb -0.02 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.47 3brb h MET 790 CO -0.10 0.51 -0.38 2.35 1.06 0.00 0.00 176.91 180.34 3brb h TRP 791 N 0.79 0.68 -0.98 -0.22 7.01 0.31 -0.99 115.95 122.54 3brb h TRP 791 Ca 0.25 -0.26 0.17 0.00 2.11 0.00 0.00 58.89 61.16 3brb h TRP 791 Cb 0.03 -0.12 -0.09 0.00 -2.10 0.00 0.00 29.16 26.87 3brb h TRP 791 CO -0.00 1.00 0.61 0.93 -2.79 0.00 0.00 178.44 178.19 3brb h GLU 792 N 0.16 0.74 -0.08 2.65 5.08 -0.14 -0.75 114.58 122.24 3brb h GLU 792 Ca -0.00 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.24 3brb h GLU 792 Cb 0.99 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.07 3brb h GLU 792 CO 0.08 0.49 -0.24 0.82 -1.00 0.00 0.00 179.01 179.16 3brb h ILE 793 N 0.77 1.41 -0.01 3.13 2.04 -0.99 0.58 117.51 124.45 3brb h ILE 793 Ca 0.53 -1.59 -0.09 0.00 1.00 0.00 0.00 64.86 64.71 3brb h ILE 793 Cb 0.83 2.23 -0.01 0.00 -0.74 0.00 0.00 36.82 39.13 3brb h ILE 793 CO -0.31 0.46 -0.42 0.00 0.00 0.00 0.00 178.15 177.87 3brb h ALA 794 N 0.47 1.29 -0.10 1.87 0.00 -0.84 -1.62 119.26 120.32 3brb h ALA 794 Ca -0.01 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3brb h ALA 794 Cb 0.86 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3brb h ALA 794 CO 0.05 0.53 0.00 0.25 0.00 0.00 0.00 179.25 180.09 3brb n THR 795 N -4.03 0.13 -4.03 0.00 -2.24 -0.32 -4.91 114.28 98.88 3brb n THR 795 Ca -0.02 -0.20 -0.30 0.00 -2.27 0.00 0.00 64.05 61.26 3brb n THR 795 Cb 0.45 0.09 -0.01 0.00 -2.10 0.00 0.00 70.33 68.76 3brb n THR 795 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3brb n ARG 796 N -0.14 -3.94 0.00 -0.78 1.74 -0.61 -3.75 116.66 109.18 3brb n ARG 796 Ca 0.14 0.46 0.00 0.00 -0.77 0.00 0.00 57.85 57.68 3brb n ARG 796 Cb 0.21 -5.04 0.00 0.00 -1.02 0.00 0.00 32.46 26.61 3brb n ARG 796 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3brb n GLY 797 N -1.66 1.12 3.76 -0.13 0.00 0.17 -3.96 105.19 104.49 3brb n GLY 797 Ca -0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 3brb n GLY 797 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3brb s MET 798 N -0.25 3.49 0.21 1.61 -1.94 -1.25 -4.95 119.30 116.22 3brb s MET 798 Ca 0.00 2.05 -0.30 0.00 -1.71 0.00 0.00 55.69 55.73 3brb s MET 798 Cb 0.00 -2.38 -0.09 0.00 2.01 0.00 0.00 34.83 34.36 3brb s MET 798 CO 0.00 -0.85 1.41 0.99 -0.01 0.00 0.00 175.02 176.55 3brb s THR 799 N -1.39 2.90 0.60 2.05 2.01 -1.26 -4.73 115.64 115.81 3brb s THR 799 Ca 0.66 0.72 -0.19 0.00 0.31 0.00 0.00 61.69 63.19 3brb s THR 799 Cb -0.36 -3.46 -0.04 0.00 0.01 0.00 0.00 72.50 68.65 3brb s THR 799 CO 0.43 0.10 1.14 -2.65 -0.69 0.00 0.00 174.62 172.96 3brb n PRO 800 N 2.77 1.13 -3.63 4.92 -0.02 -1.26 -3.91 135.00 135.01 3brb n PRO 800 Ca 0.08 0.43 -0.26 0.00 -2.02 0.00 0.00 63.50 61.73 3brb n PRO 800 Cb 0.41 -2.35 0.03 0.00 -0.02 0.00 0.00 33.50 31.56 3brb n PRO 800 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3brb n TYR 801 N -1.60 -2.08 -1.62 6.00 4.01 -1.26 -4.91 117.16 115.70 3brb n TYR 801 Ca 0.14 0.61 -0.45 0.00 -0.16 0.00 0.00 57.90 58.04 3brb n TYR 801 Cb 0.47 -3.38 -0.02 0.00 -0.31 0.00 0.00 39.34 36.10 3brb n TYR 801 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 3brb n PRO 802 N -3.55 1.56 -0.08 -0.72 -0.04 -1.25 -1.64 135.00 129.29 3brb n PRO 802 Ca -0.12 0.55 0.00 0.00 -0.04 0.00 0.00 63.50 63.89 3brb n PRO 802 Cb 0.59 -2.02 0.00 0.00 -0.04 0.00 0.00 33.50 32.03 3brb n PRO 802 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3brb n GLY 803 N 1.41 2.25 3.60 0.55 0.00 -1.26 -5.01 105.19 106.74 3brb n GLY 803 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 3brb n GLY 803 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3brb s VAL 804 N -2.88 4.43 0.22 1.61 1.01 -0.65 -5.11 120.40 119.03 3brb s VAL 804 Ca 0.00 -0.17 -0.07 0.00 0.00 0.00 0.00 61.98 61.74 3brb s VAL 804 Cb 0.00 -2.96 -0.06 0.00 0.00 0.00 0.00 36.38 33.36 3brb s VAL 804 CO 0.00 0.50 0.49 -1.10 0.00 0.00 0.00 175.10 174.99 3brb s GLN 805 N 0.13 3.70 0.28 2.72 -0.21 -1.26 -4.95 119.66 120.07 3brb s GLN 805 Ca 0.02 0.09 0.01 0.00 0.02 0.00 0.00 55.36 55.51 3brb s GLN 805 Cb -0.13 -2.71 0.64 0.00 1.00 0.00 0.00 33.01 31.81 3brb s GLN 805 CO 0.01 0.34 1.72 -0.91 -2.12 0.00 0.00 175.29 174.33 3brb h ASN 806 N 2.43 0.36 0.87 5.90 2.35 -1.99 -0.34 115.58 125.15 3brb h ASN 806 Ca -0.47 0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.42 3brb h ASN 806 Cb 1.17 0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.64 3brb h ASN 806 CO 0.70 0.07 0.00 0.00 -1.65 0.00 0.00 177.43 176.54 3brb n HIS 807 N -5.00 0.70 1.29 1.19 1.44 -1.26 -2.00 115.22 111.59 3brb n HIS 807 Ca 0.20 0.26 0.13 0.00 -2.01 0.00 0.00 57.72 56.29 3brb n HIS 807 Cb 0.57 -0.91 0.40 0.00 0.12 0.00 0.00 29.99 30.17 3brb n HIS 807 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 3brb n GLU 808 N -2.12 1.03 -0.14 -1.40 1.02 -0.14 -4.60 120.64 114.28 3brb n GLU 808 Ca 0.03 -0.61 -0.09 0.00 -0.02 0.00 0.00 57.16 56.48 3brb n GLU 808 Cb 0.27 -1.49 -0.01 0.00 -0.02 0.00 0.00 31.44 30.20 3brb n GLU 808 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 3brb h MET 809 N 1.48 0.62 -0.29 3.49 2.86 -1.38 -1.26 114.93 120.45 3brb h MET 809 Ca 0.00 -0.12 0.01 0.00 -2.06 0.00 0.00 59.70 57.54 3brb h MET 809 Cb 0.51 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.05 3brb h MET 809 CO 0.00 0.59 0.16 -0.92 1.06 0.00 0.00 176.91 177.80 3brb h TYR 810 N 0.52 0.31 -0.74 -0.22 5.03 -1.82 -0.43 116.97 119.62 3brb h TYR 810 Ca 0.14 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.44 3brb h TYR 810 Cb 0.21 -0.10 -0.03 0.00 1.55 0.00 0.00 36.73 38.35 3brb h TYR 810 CO 0.00 0.18 0.41 -0.44 -1.32 0.00 0.00 178.16 176.99 3brb h ASP 811 N 0.34 0.92 -0.52 -2.11 3.32 -1.84 0.24 116.42 116.77 3brb h ASP 811 Ca 0.11 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 3brb h ASP 811 Cb 0.01 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 3brb h ASP 811 CO -0.06 0.74 0.24 0.22 -1.72 0.00 0.00 179.24 178.66 3brb h TYR 812 N 1.01 0.76 -0.15 4.55 3.20 -0.93 -2.48 116.97 122.94 3brb h TYR 812 Ca 0.26 -0.04 -0.20 0.00 3.14 0.00 0.00 58.73 61.89 3brb h TYR 812 Cb 0.03 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.07 3brb h TYR 812 CO -0.00 0.60 -0.72 -0.07 -1.64 0.00 0.00 178.16 176.33 3brb h LEU 813 N 0.69 0.77 -1.97 2.82 3.38 -0.78 -2.91 115.31 117.31 3brb h LEU 813 Ca 0.18 -0.49 0.01 0.00 0.09 0.00 0.00 57.88 57.67 3brb h LEU 813 Cb 0.14 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 3brb h LEU 813 CO -0.02 1.26 0.03 0.25 0.09 0.00 0.00 178.44 180.05 3brb h LEU 814 N 0.46 0.03 0.00 1.67 5.85 -0.44 -0.44 115.31 122.44 3brb h LEU 814 Ca -0.03 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.69 3brb h LEU 814 Cb 1.32 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.34 3brb h LEU 814 CO 0.14 0.02 0.00 1.41 -0.34 0.00 0.00 178.44 179.67 3brb n HIS 815 N -4.53 0.00 -0.53 1.25 8.25 -0.94 -4.90 115.22 113.82 3brb n HIS 815 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 3brb n HIS 815 Cb 0.11 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.22 3brb n HIS 815 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3brb n GLY 816 N 0.93 0.76 3.78 -1.41 0.00 -0.17 -5.05 105.19 104.02 3brb n GLY 816 Ca 0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 3brb n GLY 816 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3brb s HIS 817 N -2.75 3.20 0.23 1.61 3.76 -1.11 -5.03 115.29 115.19 3brb s HIS 817 Ca 0.00 1.62 0.01 0.00 -0.15 0.00 0.00 55.06 56.54 3brb s HIS 817 Cb 0.00 -3.14 -0.04 0.00 1.11 0.00 0.00 32.58 30.51 3brb s HIS 817 CO 0.00 -0.72 0.15 1.03 -0.85 0.00 0.00 174.74 174.35 3brb s ARG 818 N -2.62 1.32 0.25 1.40 1.81 -1.26 -4.42 118.95 115.43 3brb s ARG 818 Ca 0.60 -1.71 -0.31 0.00 -1.72 0.00 0.00 55.73 52.59 3brb s ARG 818 Cb -0.22 0.23 -0.13 0.00 -0.45 0.00 0.00 34.95 34.38 3brb s ARG 818 CO 0.27 -0.43 1.34 1.28 -0.68 0.00 0.00 175.30 177.08 3brb n LEU 819 N -0.35 2.94 -4.85 2.53 4.77 -1.26 -4.94 117.00 115.84 3brb n LEU 819 Ca 0.03 1.16 -0.32 0.00 -0.03 0.00 0.00 56.01 56.84 3brb n LEU 819 Cb 0.65 -1.41 -0.05 0.00 -2.33 0.00 0.00 43.42 40.29 3brb n LEU 819 CO 0.33 -0.63 0.54 -0.54 -1.33 0.00 0.00 177.39 175.77 3brb s LYS 820 N -0.73 3.96 0.12 3.23 1.02 -1.26 -4.99 119.74 121.10 3brb s LYS 820 Ca 0.66 0.77 -0.31 0.00 0.02 0.00 0.00 55.97 57.11 3brb s LYS 820 Cb -0.66 -2.29 -0.10 0.00 -0.52 0.00 0.00 37.83 34.27 3brb s LYS 820 CO 0.53 -0.06 1.72 -1.14 -0.92 0.00 0.00 175.35 175.48 3brb s GLN 821 N -3.60 4.16 0.79 1.68 0.74 -1.26 -4.96 119.66 117.21 3brb s GLN 821 Ca 0.56 2.48 -0.14 0.00 0.05 0.00 0.00 55.36 58.31 3brb s GLN 821 Cb -0.10 -3.46 0.07 0.00 1.10 0.00 0.00 33.01 30.62 3brb s GLN 821 CO 0.25 -0.76 1.22 -2.14 -0.55 0.00 0.00 175.29 173.30 3brb s PRO 822 N 2.27 1.73 0.12 1.67 0.02 -1.26 -4.92 135.00 134.62 3brb s PRO 822 Ca 0.76 1.80 -0.22 0.00 0.02 0.00 0.00 61.00 63.36 3brb s PRO 822 Cb -0.44 -1.78 -0.06 0.00 0.02 0.00 0.00 34.50 32.23 3brb s PRO 822 CO 0.34 -2.15 1.70 1.49 -0.33 0.00 0.00 177.00 178.05 3brb h GLU 823 N -0.74 -0.07 -0.40 5.54 4.57 -1.95 -2.75 114.58 118.78 3brb h GLU 823 Ca -0.47 0.01 -0.17 0.00 -1.18 0.00 0.00 59.36 57.55 3brb h GLU 823 Cb 1.30 0.02 -0.10 0.00 -0.16 0.00 0.00 28.75 29.81 3brb h GLU 823 CO 0.47 -0.05 0.01 -0.25 -1.18 0.00 0.00 179.01 178.01 3brb n ASP 824 N -5.20 2.95 -4.75 1.04 8.00 -1.26 -4.98 116.55 112.35 3brb n ASP 824 Ca -0.04 -3.58 -0.41 0.00 0.71 0.00 0.00 54.79 51.47 3brb n ASP 824 Cb 0.13 -0.64 -0.03 0.00 -0.02 0.00 0.00 41.12 40.56 3brb n ASP 824 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3brb s LEU 826 N -0.76 4.33 0.33 0.00 1.43 -1.26 -4.92 118.68 117.83 3brb s LEU 826 Ca 0.51 2.95 0.05 0.00 -1.03 0.00 0.00 54.13 56.61 3brb s LEU 826 Cb -0.34 -3.69 0.68 0.00 0.03 0.00 0.00 46.19 42.87 3brb s LEU 826 CO 0.40 -0.82 1.88 0.44 0.23 0.00 0.00 176.35 178.49 3brb h ASP 827 N 3.03 0.78 -0.60 2.29 3.32 -1.98 -1.55 116.42 121.70 3brb h ASP 827 Ca -0.50 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 56.55 3brb h ASP 827 Cb 1.24 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.63 3brb h ASP 827 CO 0.64 0.44 0.29 -0.33 -1.72 0.00 0.00 179.24 178.56 3brb h GLU 828 N 0.86 0.90 -0.19 3.56 3.07 -2.00 -1.39 114.58 119.39 3brb h GLU 828 Ca 0.43 -0.13 -0.19 0.00 -0.50 0.00 0.00 59.36 58.98 3brb h GLU 828 Cb 0.48 -0.17 0.01 0.00 -0.84 0.00 0.00 28.75 28.23 3brb h GLU 828 CO -0.19 0.71 -0.61 1.25 -1.40 0.00 0.00 179.01 178.77 3brb h LEU 829 N 0.90 0.86 -0.90 1.33 5.85 -1.69 -3.04 115.31 118.62 3brb h LEU 829 Ca 0.22 -0.60 -0.04 0.00 0.84 0.00 0.00 57.88 58.30 3brb h LEU 829 Cb 0.12 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 3brb h LEU 829 CO -0.03 1.31 0.28 0.22 -0.34 0.00 0.00 178.44 179.88 3brb h TYR 830 N 0.46 1.11 -0.57 1.25 3.20 -1.13 -2.48 116.97 118.81 3brb h TYR 830 Ca -0.02 -0.08 0.07 0.00 3.14 0.00 0.00 58.73 61.84 3brb h TYR 830 Cb 1.24 -0.33 -0.06 0.00 1.54 0.00 0.00 36.73 39.11 3brb h TYR 830 CO 0.09 0.85 0.23 0.93 -1.64 0.00 0.00 178.16 178.62 3brb h GLU 831 N 1.06 0.42 0.34 1.82 5.08 -1.26 0.26 114.58 122.30 3brb h GLU 831 Ca 0.24 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.56 3brb h GLU 831 Cb 0.21 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3brb h GLU 831 CO -0.02 0.28 -0.16 0.82 -1.00 0.00 0.00 179.01 178.93 3brb h ILE 832 N 0.44 0.67 -0.59 3.13 2.04 -1.40 -1.66 117.51 120.15 3brb h ILE 832 Ca 0.27 -0.03 -0.04 0.00 1.00 0.00 0.00 64.86 66.06 3brb h ILE 832 Cb 0.28 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 3brb h ILE 832 CO -0.25 0.01 0.19 0.00 0.00 0.00 0.00 178.15 178.09 3brb h MET 833 N -0.47 0.88 -0.75 2.37 -0.00 -1.23 -2.96 114.93 112.76 3brb h MET 833 Ca -0.05 -0.16 -0.03 0.00 -0.00 0.00 0.00 59.70 59.47 3brb h MET 833 Cb 0.36 -0.14 -0.04 0.00 -0.00 0.00 0.00 31.60 31.78 3brb h MET 833 CO 0.08 0.75 0.36 -0.92 -0.00 0.00 0.00 176.91 177.18 3brb h TYR 834 N 0.85 1.06 0.00 -0.10 5.03 -0.38 -1.61 116.97 121.83 3brb h TYR 834 Ca 0.19 -0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.46 3brb h TYR 834 Cb 0.24 -0.33 0.00 0.00 1.55 0.00 0.00 36.73 38.19 3brb h TYR 834 CO 0.02 0.77 0.00 0.66 -1.32 0.00 0.00 178.16 178.29 3brb h SER 835 N 1.06 0.00 0.99 -2.11 4.64 -1.13 -1.64 113.55 115.36 3brb h SER 835 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 3brb h SER 835 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 3brb h SER 835 CO -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.93 3brb n TRP 837 N -2.22 0.52 -1.77 0.00 8.01 -0.62 -3.55 117.44 117.82 3brb n TRP 837 Ca 0.03 -0.98 -0.40 0.00 -1.31 0.00 0.00 57.50 54.85 3brb n TRP 837 Cb 0.30 -0.25 0.02 0.00 -2.01 0.00 0.00 31.31 29.37 3brb n TRP 837 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.69 177.71 3brb s ARG 838 N -2.88 3.72 0.12 -0.99 0.52 -1.23 -4.89 118.95 113.31 3brb s ARG 838 Ca 0.38 2.47 -0.20 0.00 -0.52 0.00 0.00 55.73 57.86 3brb s ARG 838 Cb 0.32 -2.69 -0.06 0.00 0.52 0.00 0.00 34.95 33.03 3brb s ARG 838 CO 0.06 -0.81 1.74 1.15 0.02 0.00 0.00 175.30 177.45 3brb h THR 839 N 2.38 0.93 -3.02 0.02 2.02 -1.95 -3.38 112.91 109.91 3brb h THR 839 Ca -0.51 -0.03 -0.57 0.00 0.77 0.00 0.00 66.41 66.07 3brb h THR 839 Cb 1.26 0.83 -0.04 0.00 -1.74 0.00 0.00 68.15 68.46 3brb h THR 839 CO 0.61 0.02 0.97 -0.62 0.37 0.00 0.00 175.52 176.87 3brb s ASP 840 N -5.25 6.72 0.41 4.18 -1.08 -1.26 -4.83 116.67 115.56 3brb s ASP 840 Ca -0.13 1.42 0.20 0.00 -0.52 0.00 0.00 52.55 53.52 3brb s ASP 840 Cb 0.09 -2.54 1.15 0.00 -1.46 0.00 0.00 42.92 40.16 3brb s ASP 840 CO 0.68 -1.00 1.77 -0.65 0.52 0.00 0.00 175.17 176.49 3brb h PRO 841 N 9.15 0.34 0.00 4.34 0.11 -1.96 0.01 132.00 143.99 3brb h PRO 841 Ca -0.27 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3brb h PRO 841 Cb 1.11 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3brb h PRO 841 CO 1.01 0.23 0.00 -0.07 -0.21 0.00 0.00 178.00 178.95 3brb h LEU 842 N 0.35 0.00 0.00 2.35 3.38 -1.92 -2.23 115.31 117.24 3brb h LEU 842 Ca 0.59 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.56 3brb h LEU 842 Cb 1.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.33 3brb h LEU 842 CO -0.27 0.00 -0.43 0.47 0.09 0.00 0.00 178.44 178.30 3brb n ASP 843 N -3.06 0.55 -4.77 -0.43 10.43 -0.01 -4.88 116.55 114.38 3brb n ASP 843 Ca -0.01 0.11 -0.39 0.00 2.57 0.00 0.00 54.79 57.07 3brb n ASP 843 Cb 0.22 -0.01 -0.03 0.00 1.84 0.00 0.00 41.12 43.14 3brb n ASP 843 CO 0.00 0.00 0.00 -0.13 -1.07 0.00 0.00 177.20 176.00 3brb s ARG 844 N -3.08 4.37 0.75 -1.24 0.52 -0.84 -4.97 118.95 114.46 3brb s ARG 844 Ca 0.09 1.89 -0.11 0.00 -0.52 0.00 0.00 55.73 57.08 3brb s ARG 844 Cb 0.15 -2.97 0.04 0.00 0.52 0.00 0.00 34.95 32.70 3brb s ARG 844 CO 0.67 -0.05 1.08 -1.25 0.02 0.00 0.00 175.30 175.77 3brb s PRO 845 N -1.84 2.47 0.81 3.54 0.04 -1.26 -5.03 135.00 133.72 3brb s PRO 845 Ca 0.50 1.12 -0.11 0.00 0.04 0.00 0.00 61.00 62.55 3brb s PRO 845 Cb -0.33 -1.92 0.08 0.00 0.04 0.00 0.00 34.50 32.37 3brb s PRO 845 CO 0.42 -1.48 1.09 0.95 0.04 0.00 0.00 177.00 178.03 3brb s THR 846 N -2.91 3.07 0.34 1.26 -4.23 -1.26 -4.88 115.64 107.02 3brb s THR 846 Ca 0.61 0.35 0.02 0.00 -1.18 0.00 0.00 61.69 61.48 3brb s THR 846 Cb -0.16 -3.01 0.26 0.00 1.34 0.00 0.00 72.50 70.92 3brb s THR 846 CO 0.55 -0.45 2.00 -0.26 -0.54 0.00 0.00 174.62 175.91 3brb h PHE 847 N -1.17 0.83 -0.75 3.99 0.04 -1.93 -0.74 116.94 117.21 3brb h PHE 847 Ca -0.47 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.30 3brb h PHE 847 Cb 1.26 -0.28 -0.04 0.00 2.20 0.00 0.00 35.95 39.10 3brb h PHE 847 CO 0.48 0.53 0.40 0.66 -0.60 0.00 0.00 178.31 179.78 3brb h SER 848 N 0.89 0.93 -0.02 2.17 4.64 -1.92 0.57 113.55 120.80 3brb h SER 848 Ca 0.24 -0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.47 3brb h SER 848 Cb -0.09 -0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 61.77 3brb h SER 848 CO -0.05 0.75 -0.01 0.58 -0.87 0.00 0.00 176.83 177.23 3brb h VAL 849 N 1.04 1.31 -0.61 0.95 2.07 -1.85 -2.92 116.25 116.24 3brb h VAL 849 Ca 0.26 -0.93 0.06 0.00 0.82 0.00 0.00 66.70 66.91 3brb h VAL 849 Cb 0.04 1.89 -0.05 0.00 -1.52 0.00 0.00 31.29 31.64 3brb h VAL 849 CO -0.04 0.25 0.32 -0.07 0.02 0.00 0.00 177.57 178.05 3brb h LEU 850 N -0.33 0.46 -0.43 2.57 3.38 -0.81 -1.93 115.31 118.23 3brb h LEU 850 Ca 0.01 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 3brb h LEU 850 Cb 0.40 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 3brb h LEU 850 CO 0.00 0.30 0.12 -0.09 0.09 0.00 0.00 178.44 178.86 3brb h ARG 851 N 0.60 0.68 -0.60 1.13 1.12 -0.93 -1.60 114.38 114.78 3brb h ARG 851 Ca 0.28 -0.16 -0.10 0.00 -1.11 0.00 0.00 59.98 58.89 3brb h ARG 851 Cb 0.19 -0.09 -0.02 0.00 -0.01 0.00 0.00 29.97 30.03 3brb h ARG 851 CO -0.19 0.68 -0.01 1.25 -3.11 0.00 0.00 179.97 178.60 3brb h LEU 852 N 0.56 1.04 -0.52 3.80 5.85 -1.35 -1.27 115.31 123.41 3brb h LEU 852 Ca 0.14 -0.30 0.08 0.00 0.84 0.00 0.00 57.88 58.64 3brb h LEU 852 Cb 0.29 -0.28 -0.07 0.00 0.37 0.00 0.00 40.66 40.98 3brb h LEU 852 CO -0.00 1.09 0.16 1.56 -0.34 0.00 0.00 178.44 180.91 3brb h GLN 853 N 0.97 0.31 -0.37 1.25 4.20 -1.00 -1.50 115.11 118.96 3brb h GLN 853 Ca 0.17 -0.02 -0.16 0.00 0.06 0.00 0.00 58.65 58.70 3brb h GLN 853 Cb 0.56 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 3brb h GLN 853 CO 0.03 0.21 -0.41 -0.07 -0.67 0.00 0.00 178.83 177.92 3brb h LEU 854 N 0.32 0.98 -0.74 1.46 3.38 -1.19 -1.07 115.31 118.45 3brb h LEU 854 Ca 0.26 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.77 3brb h LEU 854 Cb 0.31 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 3brb h LEU 854 CO -0.29 1.26 0.47 -0.33 0.09 0.00 0.00 178.44 179.65 3brb h GLU 855 N 0.74 0.99 -0.12 1.13 5.08 -1.10 -0.92 114.58 120.38 3brb h GLU 855 Ca 0.05 -0.07 -0.18 0.00 -1.00 0.00 0.00 59.36 58.16 3brb h GLU 855 Cb 1.01 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 30.04 3brb h GLU 855 CO 0.10 0.68 -0.67 -0.22 -1.00 0.00 0.00 179.01 177.90 3brb h LYS 856 N 1.01 0.49 0.12 2.33 1.63 -1.17 -0.25 116.57 120.73 3brb h LYS 856 Ca 0.27 -0.36 -0.01 0.00 -0.85 0.00 0.00 60.65 59.70 3brb h LYS 856 Cb -0.08 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.61 3brb h LYS 856 CO -0.06 0.99 -0.06 1.25 -3.45 0.00 0.00 179.45 178.12 3brb h LEU 857 N 0.35 -0.14 -0.69 5.20 5.85 -1.03 -2.13 115.31 122.72 3brb h LEU 857 Ca -0.02 -0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.69 3brb h LEU 857 Cb 1.23 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.25 3brb h LEU 857 CO 0.12 -0.05 0.44 0.25 -0.34 0.00 0.00 178.44 178.85 3brb h LEU 858 N -0.21 0.72 -1.83 2.25 5.85 -1.07 -2.10 115.31 118.92 3brb h LEU 858 Ca -0.02 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 3brb h LEU 858 Cb 0.17 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.04 3brb h LEU 858 CO 0.03 0.50 -0.10 -0.08 -0.34 0.00 0.00 178.44 178.45 3brb h GLU 859 N 0.86 0.00 0.00 1.25 4.81 -0.95 -2.74 114.58 117.80 3brb h GLU 859 Ca 0.28 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 3brb h GLU 859 Cb 0.01 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.39 3brb h GLU 859 CO -0.10 0.10 0.00 0.66 -0.73 0.00 0.00 179.01 178.94 3brb h SER 860 N 0.00 0.00 0.00 1.04 4.64 -0.68 -3.51 113.55 115.05 3brb h SER 860 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3brb h SER 860 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 3brb h SER 860 CO 0.01 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.15