#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bpr h LYS 576 N 0.00 -0.26 -5.25 1.20 1.79 -2.06 -3.20 116.57 108.79 3bpr h LYS 576 Ca 0.00 0.02 -0.57 0.00 -2.18 0.00 0.00 60.65 57.92 3bpr h LYS 576 Cb 0.00 0.06 -0.04 0.00 -1.58 0.00 0.00 32.23 30.67 3bpr h LYS 576 CO 0.00 -0.17 1.99 1.47 -1.08 0.00 0.00 179.45 181.66 3bpr n LEU 577 N -3.68 4.50 0.00 2.94 -0.00 -1.26 -4.20 117.00 115.29 3bpr n LEU 577 Ca -0.03 -3.56 0.00 0.00 -0.00 0.00 0.00 56.01 52.42 3bpr n LEU 577 Cb 0.16 -1.64 0.00 0.00 -0.00 0.00 0.00 43.42 41.94 3bpr n LEU 577 CO 0.05 -0.43 -0.28 -0.62 -0.00 0.00 0.00 177.39 176.11 3bpr n GLU 578 N 7.81 2.87 0.12 1.47 4.71 -1.21 -4.55 120.64 131.86 3bpr n GLU 578 Ca 0.48 0.00 0.13 0.00 -0.01 0.00 0.00 57.16 57.76 3bpr n GLU 578 Cb 0.44 -0.77 0.43 0.00 -1.01 0.00 0.00 31.44 30.53 3bpr n GLU 578 CO 0.00 0.00 0.00 -0.40 0.09 0.00 0.00 177.13 176.82 3bpr n ASP 579 N -1.21 0.81 -0.07 1.62 5.68 -1.26 -2.72 116.55 119.39 3bpr n ASP 579 Ca 0.00 0.61 0.02 0.00 -0.50 0.00 0.00 54.79 54.91 3bpr n ASP 579 Cb 0.00 -0.81 0.33 0.00 -1.14 0.00 0.00 41.12 39.50 3bpr n ASP 579 CO 0.00 0.00 0.00 1.62 -1.33 0.00 0.00 177.20 177.49 3bpr h VAL 580 N 0.00 1.16 -3.29 2.12 3.04 -1.91 -3.42 116.25 113.94 3bpr h VAL 580 Ca 0.00 -0.39 -0.53 0.00 -1.01 0.00 0.00 66.70 64.77 3bpr h VAL 580 Cb 0.65 0.47 0.06 0.00 -2.01 0.00 0.00 31.29 30.45 3bpr h VAL 580 CO 0.00 0.17 0.79 -0.69 -1.01 0.00 0.00 177.57 176.84 3bpr s VAL 581 N -5.49 2.57 -0.08 1.51 1.01 -1.10 -1.92 120.40 116.91 3bpr s VAL 581 Ca -0.09 0.47 -0.00 0.00 0.00 0.00 0.00 61.98 62.36 3bpr s VAL 581 Cb 0.17 -3.30 -0.03 0.00 0.00 0.00 0.00 36.38 33.22 3bpr s VAL 581 CO 0.76 0.07 -0.04 -0.63 0.00 0.00 0.00 175.10 175.26 3bpr s ILE 582 N 0.16 3.97 -0.04 2.22 1.01 0.83 -4.84 121.20 124.51 3bpr s ILE 582 Ca 0.61 -0.38 -0.30 0.00 0.00 0.00 0.00 60.65 60.59 3bpr s ILE 582 Cb -0.43 -2.64 -0.07 0.00 0.01 0.00 0.00 42.46 39.32 3bpr s ILE 582 CO 0.42 0.60 1.93 -0.62 0.00 0.00 0.00 174.94 177.27 3bpr s ASP 583 N -0.81 6.33 0.53 3.58 -1.08 -1.26 -4.54 116.67 119.42 3bpr s ASP 583 Ca 0.12 2.40 0.38 0.00 -0.52 0.00 0.00 52.55 54.93 3bpr s ASP 583 Cb -0.11 -2.53 1.55 0.00 -1.46 0.00 0.00 42.92 40.37 3bpr s ASP 583 CO 0.02 -1.18 1.76 -0.09 0.52 0.00 0.00 175.17 176.20 3bpr h ARG 584 N 11.10 0.03 0.00 4.34 9.65 -1.93 0.28 114.38 137.84 3bpr h ARG 584 Ca -0.45 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.43 3bpr h ARG 584 Cb 1.22 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.80 3bpr h ARG 584 CO 0.95 0.02 -0.35 0.27 2.80 0.00 0.00 179.97 183.66 3bpr n ASN 585 N -4.18 0.47 0.00 -3.80 6.94 -1.26 -2.39 115.26 111.04 3bpr n ASN 585 Ca 0.29 0.14 0.06 0.00 -0.02 0.00 0.00 54.58 55.06 3bpr n ASN 585 Cb 1.35 -0.09 0.29 0.00 -2.36 0.00 0.00 39.78 38.97 3bpr n ASN 585 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 3bpr n LEU 586 N -1.77 0.00 -4.29 -4.53 4.77 0.98 -4.77 117.00 107.39 3bpr n LEU 586 Ca 0.05 0.41 -0.32 0.00 -0.03 0.00 0.00 56.01 56.13 3bpr n LEU 586 Cb 0.38 -0.41 -0.16 0.00 -2.33 0.00 0.00 43.42 40.90 3bpr n LEU 586 CO 0.33 -0.23 -0.55 -0.22 -1.33 0.00 0.00 177.39 175.38 3bpr s LEU 587 N -2.82 2.15 -0.06 2.23 2.96 -1.00 -0.20 118.68 121.93 3bpr s LEU 587 Ca 0.09 -0.48 0.02 0.00 -0.22 0.00 0.00 54.13 53.54 3bpr s LEU 587 Cb 0.08 -1.40 0.02 0.00 0.50 0.00 0.00 46.19 45.40 3bpr s LEU 587 CO 0.22 0.25 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.79 3bpr s ILE 588 N -0.21 0.87 0.08 6.68 -1.09 -0.14 -5.00 121.20 122.40 3bpr s ILE 588 Ca -0.02 -0.31 -0.02 0.00 -2.23 0.00 0.00 60.65 58.07 3bpr s ILE 588 Cb -0.13 -0.83 -0.05 0.00 -1.58 0.00 0.00 42.46 39.87 3bpr s ILE 588 CO 0.03 0.30 0.28 -0.76 -1.23 0.00 0.00 174.94 173.56 3bpr s LEU 589 N 0.85 4.33 0.00 2.97 1.43 -1.26 -0.27 118.68 126.72 3bpr s LEU 589 Ca -0.12 0.42 0.00 0.00 -1.03 0.00 0.00 54.13 53.40 3bpr s LEU 589 Cb -0.15 -3.05 0.00 0.00 0.03 0.00 0.00 46.19 43.02 3bpr s LEU 589 CO 0.01 0.14 0.00 0.61 0.23 0.00 0.00 176.35 177.34 3bpr n GLY 590 N 0.31 4.56 3.75 -3.19 0.00 0.42 -4.92 105.19 106.12 3bpr n GLY 590 Ca -0.05 -1.71 -0.32 0.00 0.00 0.00 0.00 46.02 43.94 3bpr n GLY 590 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bpr s LYS 591 N 3.86 2.23 0.22 1.61 3.01 -1.26 -4.73 119.74 124.69 3bpr s LYS 591 Ca 0.00 1.36 -0.30 0.00 -1.01 0.00 0.00 55.97 56.02 3bpr s LYS 591 Cb 0.00 -1.88 -0.09 0.00 -1.01 0.00 0.00 37.83 34.85 3bpr s LYS 591 CO 0.00 -1.69 0.97 0.42 0.51 0.00 0.00 175.35 175.56 3bpr s ILE 592 N -2.59 4.05 -0.89 2.17 1.01 -1.26 -2.47 121.20 121.23 3bpr s ILE 592 Ca 0.65 1.99 0.16 0.00 0.00 0.00 0.00 60.65 63.45 3bpr s ILE 592 Cb -0.20 -4.27 -0.14 0.00 0.01 0.00 0.00 42.46 37.86 3bpr s ILE 592 CO 0.51 0.44 0.71 0.18 0.00 0.00 0.00 174.94 176.78 3bpr n LEU 593 N 1.69 0.91 0.00 2.97 4.77 0.12 -4.93 117.00 122.53 3bpr n LEU 593 Ca -0.01 -0.55 0.00 0.00 -0.03 0.00 0.00 56.01 55.42 3bpr n LEU 593 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 3bpr n LEU 593 CO 0.51 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.39 3bpr n GLY 594 N 1.34 2.51 2.70 -0.72 0.00 -1.14 -4.96 105.19 104.91 3bpr n GLY 594 Ca 0.04 -0.56 -0.28 0.00 0.00 0.00 0.00 46.02 45.22 3bpr n GLY 594 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3bpr s GLU 595 N -2.00 0.52 0.86 1.61 2.02 -1.26 -0.49 118.70 119.96 3bpr s GLU 595 Ca 0.00 -0.43 -0.11 0.00 0.02 0.00 0.00 54.97 54.45 3bpr s GLU 595 Cb 0.00 -1.99 0.16 0.00 0.10 0.00 0.00 34.13 32.40 3bpr s GLU 595 CO 0.00 -0.71 1.20 0.20 0.02 0.00 0.00 175.26 175.97 3bpr s GLY 596 N 1.90 1.75 0.23 -1.39 0.00 -1.10 -5.01 107.32 103.70 3bpr s GLY 596 Ca 0.01 -1.24 -0.07 0.00 0.00 0.00 0.00 44.72 43.42 3bpr s GLY 596 CO -0.12 -0.59 1.88 -2.09 0.00 0.00 0.00 173.10 172.18 3bpr h GLU 597 N -1.20 1.03 0.00 2.90 4.57 -2.03 -3.34 114.58 116.51 3bpr h GLU 597 Ca -0.43 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 57.69 3bpr h GLU 597 Cb 1.26 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 29.62 3bpr h GLU 597 CO 0.44 0.68 0.00 0.34 -1.18 0.00 0.00 179.01 179.29 3bpr n PHE 598 N -4.55 0.00 -0.44 0.92 7.35 -1.26 -5.01 117.46 114.46 3bpr n PHE 598 Ca 0.10 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.79 3bpr n PHE 598 Cb 0.09 -0.14 0.00 0.00 0.35 0.00 0.00 39.48 39.78 3bpr n PHE 598 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3bpr n GLY 599 N -0.41 5.44 3.20 7.13 0.00 -1.25 -4.79 105.19 114.51 3bpr n GLY 599 Ca 0.00 -1.25 -0.13 0.00 0.00 0.00 0.00 46.02 44.64 3bpr n GLY 599 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3bpr s SER 600 N 1.00 -0.34 -0.17 1.61 1.04 -1.18 -2.72 113.70 112.93 3bpr s SER 600 Ca 0.00 0.65 -0.09 0.00 0.48 0.00 0.00 55.95 56.99 3bpr s SER 600 Cb 0.00 0.64 -0.05 0.00 0.10 0.00 0.00 66.02 66.71 3bpr s SER 600 CO 0.00 -0.12 0.13 0.54 0.98 0.00 0.00 173.24 174.77 3bpr s VAL 601 N 0.35 5.42 0.08 5.02 0.11 0.35 -2.37 120.40 129.37 3bpr s VAL 601 Ca -0.01 0.19 0.07 0.00 -2.93 0.00 0.00 61.98 59.30 3bpr s VAL 601 Cb -0.03 -3.44 -0.03 0.00 -1.53 0.00 0.00 36.38 31.35 3bpr s VAL 601 CO -0.01 0.50 -0.19 -0.04 -3.33 0.00 0.00 175.10 172.02 3bpr s MET 602 N -0.11 1.13 0.44 1.54 -1.94 -0.25 0.13 119.30 120.24 3bpr s MET 602 Ca 0.10 -1.05 -0.22 0.00 -1.71 0.00 0.00 55.69 52.82 3bpr s MET 602 Cb -0.11 -1.31 -0.09 0.00 2.01 0.00 0.00 34.83 35.32 3bpr s MET 602 CO 0.00 0.31 1.01 -1.83 -0.01 0.00 0.00 175.02 174.51 3bpr s GLU 603 N -1.64 4.02 0.22 2.03 -1.05 -1.03 0.50 118.70 121.76 3bpr s GLU 603 Ca 0.05 1.33 -0.21 0.00 -0.15 0.00 0.00 54.97 55.99 3bpr s GLU 603 Cb -0.09 -2.25 0.07 0.00 -0.44 0.00 0.00 34.13 31.42 3bpr s GLU 603 CO 0.03 -0.23 0.97 0.20 0.95 0.00 0.00 175.26 177.18 3bpr s GLY 604 N -1.92 0.12 -0.06 -3.83 0.00 -0.73 0.16 107.32 101.06 3bpr s GLY 604 Ca 0.63 -0.36 0.06 0.00 0.00 0.00 0.00 44.72 45.05 3bpr s GLY 604 CO 0.20 1.49 -0.23 -1.31 0.00 0.00 0.00 173.10 173.25 3bpr s ASN 605 N -3.27 3.25 -0.15 1.64 0.01 0.63 -1.38 114.94 115.67 3bpr s ASN 605 Ca 0.19 -0.46 -0.01 0.00 -0.71 0.00 0.00 52.86 51.88 3bpr s ASN 605 Cb -0.03 -0.83 -0.01 0.00 0.41 0.00 0.00 41.25 40.78 3bpr s ASN 605 CO 0.06 0.26 -0.12 -0.22 -1.51 0.00 0.00 177.10 175.58 3bpr s LEU 606 N -0.25 2.75 0.10 0.60 2.96 -0.68 -0.97 118.68 123.19 3bpr s LEU 606 Ca -0.01 -0.34 -0.18 0.00 -0.22 0.00 0.00 54.13 53.39 3bpr s LEU 606 Cb -0.13 -1.63 -0.07 0.00 0.50 0.00 0.00 46.19 44.86 3bpr s LEU 606 CO 0.03 0.13 0.58 -1.59 -1.32 0.00 0.00 176.35 174.18 3bpr s LYS 607 N 0.55 4.15 0.27 1.98 -2.85 0.72 -1.06 119.74 123.50 3bpr s LYS 607 Ca -0.07 0.69 0.01 0.00 -1.00 0.00 0.00 55.97 55.59 3bpr s LYS 607 Cb -0.15 -3.14 0.01 0.00 -2.06 0.00 0.00 37.83 32.49 3bpr s LYS 607 CO 0.03 0.58 0.05 1.04 0.10 0.00 0.00 175.35 177.16 3bpr n GLN 608 N 1.42 1.29 -0.09 1.78 6.02 -0.82 -4.92 117.38 122.05 3bpr n GLN 608 Ca -0.09 -1.89 -0.10 0.00 -0.01 0.00 0.00 57.00 54.92 3bpr n GLN 608 Cb 0.51 0.43 -0.03 0.00 1.02 0.00 0.00 30.24 32.17 3bpr n GLN 608 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 3bpr h GLU 609 N 0.00 0.43 -1.50 -1.09 4.57 -1.98 -2.79 114.58 112.23 3bpr h GLU 609 Ca -0.21 -0.08 0.50 0.00 -1.18 0.00 0.00 59.36 58.38 3bpr h GLU 609 Cb 0.66 -0.07 -0.13 0.00 -0.16 0.00 0.00 28.75 29.05 3bpr h GLU 609 CO 0.34 0.47 0.99 -0.25 -1.18 0.00 0.00 179.01 179.38 3bpr n ASP 610 N -4.74 0.17 0.00 1.04 8.00 -1.26 -4.81 116.55 114.96 3bpr n ASP 610 Ca -0.02 1.32 0.00 0.00 0.71 0.00 0.00 54.79 56.80 3bpr n ASP 610 Cb 0.14 -0.65 0.00 0.00 -0.02 0.00 0.00 41.12 40.59 3bpr n ASP 610 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3bpr n GLY 611 N -1.59 2.87 3.78 0.44 0.00 -1.05 -5.06 105.19 104.58 3bpr n GLY 611 Ca 0.41 -0.11 -0.32 0.00 0.00 0.00 0.00 46.02 46.00 3bpr n GLY 611 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3bpr s THR 612 N -2.16 3.42 0.12 2.61 -4.23 -1.26 -4.59 115.64 109.55 3bpr s THR 612 Ca 0.00 0.61 0.04 0.00 -1.18 0.00 0.00 61.69 61.16 3bpr s THR 612 Cb 0.00 -3.14 -0.04 0.00 1.34 0.00 0.00 72.50 70.66 3bpr s THR 612 CO 0.00 -0.46 0.11 -0.44 -0.54 0.00 0.00 174.62 173.29 3bpr s SER 613 N -2.86 5.55 -0.02 3.99 0.01 -1.26 -1.95 113.70 117.16 3bpr s SER 613 Ca 0.65 -0.05 0.06 0.00 1.31 0.00 0.00 55.95 57.91 3bpr s SER 613 Cb -0.19 -1.48 -0.01 0.00 0.21 0.00 0.00 66.02 64.55 3bpr s SER 613 CO 0.44 0.13 -0.20 -0.22 0.41 0.00 0.00 173.24 173.80 3bpr s LEU 614 N -2.71 2.03 0.13 2.44 2.96 -0.23 -4.95 118.68 118.36 3bpr s LEU 614 Ca 0.30 -0.37 -0.30 0.00 -0.22 0.00 0.00 54.13 53.54 3bpr s LEU 614 Cb -0.11 -1.05 -0.07 0.00 0.50 0.00 0.00 46.19 45.46 3bpr s LEU 614 CO 0.23 0.24 1.14 -0.75 -1.32 0.00 0.00 176.35 175.89 3bpr s LYS 615 N -0.44 4.53 0.10 1.98 2.47 -1.26 -1.68 119.74 125.43 3bpr s LYS 615 Ca 0.07 1.74 0.00 0.00 -1.56 0.00 0.00 55.97 56.22 3bpr s LYS 615 Cb -0.08 -3.30 -0.04 0.00 -1.46 0.00 0.00 37.83 32.95 3bpr s LYS 615 CO -0.01 -0.06 -0.01 0.14 0.16 0.00 0.00 175.35 175.58 3bpr s VAL 616 N 0.24 0.37 -0.08 4.02 -7.23 -0.48 -2.00 120.40 115.25 3bpr s VAL 616 Ca 0.53 -1.89 0.03 0.00 -1.81 0.00 0.00 61.98 58.83 3bpr s VAL 616 Cb -0.29 -1.78 -0.02 0.00 0.56 0.00 0.00 36.38 34.84 3bpr s VAL 616 CO 0.33 -0.75 -0.15 0.00 -0.31 0.00 0.00 175.10 174.21 3bpr s ALA 617 N -3.84 2.58 -0.23 1.32 0.00 0.34 -1.77 121.76 120.17 3bpr s ALA 617 Ca 0.15 -0.96 0.01 0.00 0.00 0.00 0.00 51.96 51.17 3bpr s ALA 617 Cb 0.07 -1.01 0.04 0.00 0.00 0.00 0.00 23.12 22.22 3bpr s ALA 617 CO -0.04 0.44 -0.14 0.08 0.00 0.00 0.00 175.76 176.10 3bpr s VAL 618 N -0.30 2.23 -0.21 0.00 1.01 0.18 -1.32 120.40 121.99 3bpr s VAL 618 Ca 0.02 -1.26 -0.12 0.00 0.00 0.00 0.00 61.98 60.62 3bpr s VAL 618 Cb -0.13 -2.14 -0.05 0.00 0.00 0.00 0.00 36.38 34.07 3bpr s VAL 618 CO 0.03 0.24 0.23 -0.54 0.00 0.00 0.00 175.10 175.05 3bpr s LYS 619 N 1.21 4.16 -0.06 2.72 1.02 -0.71 -1.09 119.74 127.00 3bpr s LYS 619 Ca -0.02 -0.09 0.02 0.00 0.02 0.00 0.00 55.97 55.90 3bpr s LYS 619 Cb -0.17 -3.48 -0.03 0.00 -0.52 0.00 0.00 37.83 33.63 3bpr s LYS 619 CO -0.08 0.14 -0.10 0.95 -0.92 0.00 0.00 175.35 175.34 3bpr s THR 620 N 0.80 3.42 0.00 2.17 -4.23 -1.00 -1.06 115.64 115.74 3bpr s THR 620 Ca 0.12 -0.59 0.00 0.00 -1.18 0.00 0.00 61.69 60.04 3bpr s THR 620 Cb -0.13 -2.37 0.00 0.00 1.34 0.00 0.00 72.50 71.34 3bpr s THR 620 CO 0.03 0.60 0.00 1.15 -0.54 0.00 0.00 174.62 175.86 3bpr n MET 621 N 2.26 0.00 -3.56 3.99 0.00 -1.15 -3.10 117.12 115.56 3bpr n MET 621 Ca -0.18 0.00 -0.29 0.00 0.00 0.00 0.00 57.70 57.24 3bpr n MET 621 Cb 0.53 0.00 -0.15 0.00 0.00 0.00 0.00 33.22 33.59 3bpr n MET 621 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 175.97 176.18 3bpr s LYS 622 N -1.04 0.20 0.00 3.17 2.20 -1.26 -4.40 119.74 118.60 3bpr s LYS 622 Ca 0.00 -0.50 0.00 0.00 -0.36 0.00 0.00 55.97 55.11 3bpr s LYS 622 Cb 0.00 -1.26 0.00 0.00 -1.51 0.00 0.00 37.83 35.06 3bpr s LYS 622 CO 0.00 -0.98 0.00 -0.89 -0.36 0.00 0.00 175.35 173.12 3bpr n ILE 631 N 5.24 0.00 -0.35 5.43 5.41 -1.26 -5.14 119.36 128.70 3bpr n ILE 631 Ca -0.06 0.00 0.02 0.00 1.00 0.00 0.00 62.75 63.71 3bpr n ILE 631 Cb 0.43 0.00 0.09 0.00 -0.71 0.00 0.00 39.64 39.44 3bpr n ILE 631 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 3bpr h GLU 632 N 0.00 -0.01 -0.89 0.38 3.07 -2.05 0.74 114.58 115.82 3bpr h GLU 632 Ca 0.00 0.00 0.19 0.00 -0.50 0.00 0.00 59.36 59.05 3bpr h GLU 632 Cb 0.00 0.00 -0.17 0.00 -0.84 0.00 0.00 28.75 27.74 3bpr h GLU 632 CO 0.00 -0.01 -0.17 1.05 -1.40 0.00 0.00 179.01 178.48 3bpr h GLU 633 N -0.01 0.01 -0.51 2.33 4.11 -2.05 0.21 114.58 118.66 3bpr h GLU 633 Ca 0.40 -0.00 0.07 0.00 0.07 0.00 0.00 59.36 59.90 3bpr h GLU 633 Cb 0.65 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.84 3bpr h GLU 633 CO -0.96 0.01 0.19 0.35 0.07 0.00 0.00 179.01 178.66 3bpr h PHE 634 N 0.01 0.33 -0.77 2.06 3.57 -1.31 -2.83 116.94 118.00 3bpr h PHE 634 Ca 0.45 0.03 0.04 0.00 3.53 0.00 0.00 57.97 62.01 3bpr h PHE 634 Cb 0.73 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.36 3bpr h PHE 634 CO -0.65 0.11 0.50 -0.07 -2.23 0.00 0.00 178.31 175.97 3bpr h LEU 635 N 0.37 0.79 -1.04 0.59 3.38 -0.47 -1.92 115.31 117.01 3bpr h LEU 635 Ca 0.25 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 3bpr h LEU 635 Cb 0.26 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 3bpr h LEU 635 CO -0.25 0.54 0.37 0.28 0.09 0.00 0.00 178.44 179.47 3bpr h SER 636 N 0.91 0.95 0.03 -0.43 0.02 -1.24 -0.80 113.55 112.99 3bpr h SER 636 Ca 0.31 -0.10 0.03 0.00 -0.84 0.00 0.00 61.79 61.19 3bpr h SER 636 Cb 0.09 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.35 3bpr h SER 636 CO -0.09 0.79 -0.23 -0.33 -1.14 0.00 0.00 176.83 175.83 3bpr h GLU 637 N 1.05 -0.36 -0.66 3.45 5.08 -1.32 0.14 114.58 121.96 3bpr h GLU 637 Ca 0.26 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.69 3bpr h GLU 637 Cb 0.08 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.38 3bpr h GLU 637 CO -0.04 -0.24 0.43 0.00 -1.00 0.00 0.00 179.01 178.17 3bpr h ALA 638 N 0.47 1.67 -0.14 3.43 0.00 -1.31 0.12 119.26 123.51 3bpr h ALA 638 Ca 0.05 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3bpr h ALA 638 Cb 0.44 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3bpr h ALA 638 CO -0.19 0.25 0.07 0.00 0.00 0.00 0.00 179.25 179.38 3bpr h ALA 639 N 1.63 0.18 0.31 0.00 0.00 -0.24 0.12 119.26 121.25 3bpr h ALA 639 Ca 0.27 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3bpr h ALA 639 Cb 0.13 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3bpr h ALA 639 CO -0.08 -0.27 -0.19 0.00 0.00 0.00 0.00 179.25 178.71 3bpr n MET 641 N -3.46 -0.08 -0.02 0.00 2.81 0.35 0.20 117.12 116.92 3bpr n MET 641 Ca -0.06 1.50 0.23 0.00 -1.81 0.00 0.00 57.70 57.57 3bpr n MET 641 Cb 0.20 -2.31 0.72 0.00 -0.71 0.00 0.00 33.22 31.12 3bpr n MET 641 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 3bpr h LYS 642 N 0.00 0.00 0.00 0.03 3.64 -0.57 0.58 116.57 120.24 3bpr h LYS 642 Ca 0.53 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.89 3bpr h LYS 642 Cb 0.94 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.76 3bpr h LYS 642 CO -0.97 0.00 -0.07 -0.44 -2.27 0.00 0.00 179.45 175.70 3bpr h ASP 643 N 0.00 0.00 -2.88 4.20 3.32 0.23 -3.46 116.42 117.83 3bpr h ASP 643 Ca 0.29 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.81 3bpr h ASP 643 Cb 1.39 0.00 0.07 0.00 0.22 0.00 0.00 39.33 41.00 3bpr h ASP 643 CO -0.00 0.07 0.97 0.49 -1.72 0.00 0.00 179.24 179.05 3bpr n PHE 644 N -3.14 2.80 -3.42 4.55 3.72 0.20 -4.98 117.46 117.19 3bpr n PHE 644 Ca 0.02 0.11 -0.19 0.00 -0.05 0.00 0.00 57.45 57.34 3bpr n PHE 644 Cb 0.46 -2.65 -0.11 0.00 -0.94 0.00 0.00 39.48 36.25 3bpr n PHE 644 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3bpr s SER 645 N 0.93 2.00 -0.28 4.37 0.15 -1.26 -4.81 113.70 114.80 3bpr s SER 645 Ca 0.71 -0.85 -0.24 0.00 0.70 0.00 0.00 55.95 56.27 3bpr s SER 645 Cb -0.50 0.36 0.10 0.00 -1.71 0.00 0.00 66.02 64.27 3bpr s SER 645 CO 0.38 -0.40 0.90 -2.28 1.20 0.00 0.00 173.24 173.04 3bpr s HIS 646 N 2.31 -0.63 -0.29 3.44 5.04 -1.26 -5.04 115.29 118.86 3bpr s HIS 646 Ca 0.09 1.48 0.25 0.00 -1.54 0.00 0.00 55.06 55.35 3bpr s HIS 646 Cb -0.14 0.35 1.15 0.00 0.04 0.00 0.00 32.58 33.98 3bpr s HIS 646 CO -0.34 -0.31 1.76 -1.00 -2.34 0.00 0.00 174.74 172.51 3bpr h PRO 647 N 4.84 0.00 -0.41 2.88 0.13 -1.99 -2.05 132.00 135.40 3bpr h PRO 647 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 3bpr h PRO 647 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3bpr h PRO 647 CO 0.10 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 177.96 3bpr n ASN 648 N -2.37 4.01 -3.96 1.44 4.13 -1.26 -4.70 115.26 112.55 3bpr n ASN 648 Ca 0.01 -2.60 -0.20 0.00 1.68 0.00 0.00 54.58 53.46 3bpr n ASN 648 Cb 0.17 -0.48 -0.16 0.00 -1.54 0.00 0.00 39.78 37.77 3bpr n ASN 648 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3bpr s VAL 649 N -2.09 0.71 0.52 2.41 1.01 -0.77 -1.83 120.40 120.35 3bpr s VAL 649 Ca 0.40 -0.27 -0.22 0.00 0.00 0.00 0.00 61.98 61.90 3bpr s VAL 649 Cb 0.29 -0.67 -0.06 0.00 0.00 0.00 0.00 36.38 35.95 3bpr s VAL 649 CO 0.15 0.24 1.26 -0.51 0.00 0.00 0.00 175.10 176.24 3bpr s ILE 650 N 0.52 2.56 -0.31 2.22 2.07 -0.59 -4.46 121.20 123.22 3bpr s ILE 650 Ca -0.08 0.41 -0.09 0.00 -1.41 0.00 0.00 60.65 59.48 3bpr s ILE 650 Cb -0.12 -3.20 -0.01 0.00 0.13 0.00 0.00 42.46 39.27 3bpr s ILE 650 CO 0.01 -0.02 0.15 -0.60 -1.91 0.00 0.00 174.94 172.57 3bpr s ARG 651 N -2.90 3.35 0.01 3.50 3.52 -1.26 -4.94 118.95 120.22 3bpr s ARG 651 Ca 0.70 -0.71 -0.30 0.00 -0.13 0.00 0.00 55.73 55.28 3bpr s ARG 651 Cb -0.34 -3.55 -0.05 0.00 -1.56 0.00 0.00 34.95 29.45 3bpr s ARG 651 CO 0.40 -0.40 1.36 -1.17 -0.81 0.00 0.00 175.30 174.68 3bpr s LEU 652 N 1.61 4.32 0.19 -0.88 0.20 -1.26 -4.37 118.68 118.48 3bpr s LEU 652 Ca 0.05 2.09 0.20 0.00 0.69 0.00 0.00 54.13 57.15 3bpr s LEU 652 Cb -0.17 -3.56 -0.01 0.00 -0.43 0.00 0.00 46.19 42.02 3bpr s LEU 652 CO 0.06 -0.68 1.06 -0.07 -0.29 0.00 0.00 176.35 176.44 3bpr h LEU 653 N 8.08 0.00 0.00 -0.68 3.38 -1.17 -3.40 115.31 121.52 3bpr h LEU 653 Ca -0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.59 3bpr h LEU 653 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3bpr h LEU 653 CO 0.89 0.24 0.00 0.61 0.09 0.00 0.00 178.44 180.27 3bpr n GLY 654 N 1.25 0.02 3.25 0.83 0.00 -1.23 -4.99 105.19 104.32 3bpr n GLY 654 Ca -0.03 -1.56 -0.23 0.00 0.00 0.00 0.00 46.02 44.21 3bpr n GLY 654 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3bpr s VAL 655 N -1.63 1.57 0.24 1.61 -7.23 -0.81 -0.40 120.40 113.74 3bpr s VAL 655 Ca 0.00 -1.41 0.10 0.00 -1.81 0.00 0.00 61.98 58.85 3bpr s VAL 655 Cb 0.00 -1.42 -0.04 0.00 0.56 0.00 0.00 36.38 35.47 3bpr s VAL 655 CO 0.00 -0.04 -0.07 0.00 -0.31 0.00 0.00 175.10 174.68 3bpr s ILE 657 N -2.12 0.13 -0.34 0.00 1.01 -1.26 -0.34 121.20 118.28 3bpr s ILE 657 Ca 0.29 -0.02 -0.17 0.00 0.00 0.00 0.00 60.65 60.75 3bpr s ILE 657 Cb -0.07 -0.54 -0.01 0.00 0.01 0.00 0.00 42.46 41.85 3bpr s ILE 657 CO 0.17 -0.03 0.45 -1.61 0.00 0.00 0.00 174.94 173.93 3bpr s GLU 658 N 2.06 3.62 0.26 2.79 2.02 -1.26 -4.93 118.70 123.26 3bpr s GLU 658 Ca 0.03 -0.24 -0.04 0.00 0.02 0.00 0.00 54.97 54.73 3bpr s GLU 658 Cb -0.14 -3.80 0.32 0.00 0.10 0.00 0.00 34.13 30.61 3bpr s GLU 658 CO -0.06 -0.58 1.91 0.52 0.02 0.00 0.00 175.26 177.06 3bpr h MET 659 N 8.44 1.17 0.00 1.61 2.86 -2.05 -3.40 114.93 123.56 3bpr h MET 659 Ca -0.29 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.24 3bpr h MET 659 Cb 1.13 -0.24 0.00 0.00 0.06 0.00 0.00 31.60 32.55 3bpr h MET 659 CO 0.74 0.83 0.00 0.43 1.06 0.00 0.00 176.91 179.97 3bpr n SER 661 N -4.36 0.00 0.00 1.22 7.64 -1.26 -5.10 113.62 111.76 3bpr n SER 661 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.97 3bpr n SER 661 Cb 0.07 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 3bpr n SER 661 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 3bpr n GLN 662 N -0.17 0.96 -3.49 1.43 0.00 -1.26 -5.41 117.38 109.43 3bpr n GLN 662 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 3bpr n GLN 662 Cb 0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 30.24 30.10 3bpr n GLN 662 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 3bpr s PRO 667 N -0.18 0.36 -0.06 3.69 0.04 -1.26 -5.17 135.00 132.42 3bpr s PRO 667 Ca 0.00 0.83 0.01 0.00 0.04 0.00 0.00 61.00 61.88 3bpr s PRO 667 Cb 0.00 0.41 0.02 0.00 0.04 0.00 0.00 34.50 34.97 3bpr s PRO 667 CO 0.00 -0.11 -0.07 -1.64 0.04 0.00 0.00 177.00 175.22 3bpr s MET 668 N 2.24 1.20 0.18 4.56 -1.94 0.54 -2.93 119.30 123.15 3bpr s MET 668 Ca -0.05 -0.21 -0.18 0.00 -1.71 0.00 0.00 55.69 53.54 3bpr s MET 668 Cb -0.06 -1.14 -0.08 0.00 2.01 0.00 0.00 34.83 35.56 3bpr s MET 668 CO -0.17 -0.09 0.65 0.14 -0.01 0.00 0.00 175.02 175.54 3bpr s VAL 669 N 1.03 4.67 -0.18 -6.03 -7.23 -0.22 -0.29 120.40 112.15 3bpr s VAL 669 Ca -0.09 1.16 -0.02 0.00 -1.81 0.00 0.00 61.98 61.22 3bpr s VAL 669 Cb -0.14 -3.84 -0.01 0.00 0.56 0.00 0.00 36.38 32.95 3bpr s VAL 669 CO -0.00 0.28 -0.09 -0.63 -0.31 0.00 0.00 175.10 174.35 3bpr s ILE 670 N -1.43 3.12 0.07 -0.62 -1.09 0.46 -1.74 121.20 119.98 3bpr s ILE 670 Ca 0.39 -0.60 0.04 0.00 -2.23 0.00 0.00 60.65 58.25 3bpr s ILE 670 Cb -0.17 -2.37 -0.03 0.00 -1.58 0.00 0.00 42.46 38.31 3bpr s ILE 670 CO 0.20 0.48 -0.11 -0.76 -1.23 0.00 0.00 174.94 173.52 3bpr s LEU 671 N 1.00 2.32 0.35 2.97 1.43 -0.44 -0.49 118.68 125.82 3bpr s LEU 671 Ca -0.01 -0.68 -0.28 0.00 -1.03 0.00 0.00 54.13 52.14 3bpr s LEU 671 Cb -0.15 -0.33 -0.12 0.00 0.03 0.00 0.00 46.19 45.62 3bpr s LEU 671 CO -0.01 -0.19 1.35 -0.81 0.23 0.00 0.00 176.35 176.92 3bpr n PRO 672 N 1.04 2.28 -2.50 1.29 -0.04 -1.26 0.13 135.00 135.94 3bpr n PRO 672 Ca -0.20 0.80 -0.41 0.00 -0.04 0.00 0.00 63.50 63.65 3bpr n PRO 672 Cb 0.56 -2.43 -0.04 0.00 -0.04 0.00 0.00 33.50 31.55 3bpr n PRO 672 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 3bpr s PHE 673 N -1.05 3.57 -0.27 0.54 5.36 -0.85 -4.21 117.98 121.06 3bpr s PHE 673 Ca 0.55 1.58 -0.00 0.00 -0.96 0.00 0.00 56.93 58.10 3bpr s PHE 673 Cb -0.55 -3.29 0.05 0.00 -0.34 0.00 0.00 43.02 38.89 3bpr s PHE 673 CO 0.62 -0.68 -0.05 -1.64 -1.46 0.00 0.00 175.22 172.01 3bpr s MET 674 N -0.35 2.49 0.32 10.12 -1.94 -1.26 -4.88 119.30 123.80 3bpr s MET 674 Ca 0.50 -1.21 0.13 0.00 -1.71 0.00 0.00 55.69 53.40 3bpr s MET 674 Cb -0.30 -3.04 0.54 0.00 2.01 0.00 0.00 34.83 34.04 3bpr s MET 674 CO 0.35 -0.54 1.70 1.57 -0.01 0.00 0.00 175.02 178.09 3bpr h LYS 675 N 7.94 0.00 0.00 2.03 2.10 -1.93 -2.25 116.57 124.47 3bpr h LYS 675 Ca -0.24 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.41 3bpr h LYS 675 Cb 1.07 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.40 3bpr h LYS 675 CO 0.53 0.50 0.00 0.66 -2.00 0.00 0.00 179.45 179.13 3bpr n TYR 676 N -3.83 0.34 -4.09 0.07 4.01 -1.26 -5.00 117.16 107.39 3bpr n TYR 676 Ca -0.01 0.10 0.00 0.00 -0.16 0.00 0.00 57.90 57.83 3bpr n TYR 676 Cb 0.53 -0.67 0.00 0.00 -0.31 0.00 0.00 39.34 38.89 3bpr n TYR 676 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3bpr n GLY 677 N 1.13 -0.99 3.87 2.72 0.00 -0.85 -4.80 105.19 106.28 3bpr n GLY 677 Ca 0.06 -1.21 -0.31 0.00 0.00 0.00 0.00 46.02 44.56 3bpr n GLY 677 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3bpr s ASP 678 N -4.00 6.56 0.36 1.61 -4.77 -1.26 -1.57 116.67 113.60 3bpr s ASP 678 Ca 0.00 1.19 0.06 0.00 -3.30 0.00 0.00 52.55 50.50 3bpr s ASP 678 Cb 0.00 -2.35 0.69 0.00 -1.09 0.00 0.00 42.92 40.17 3bpr s ASP 678 CO 0.00 -0.40 1.91 0.25 0.70 0.00 0.00 175.17 177.63 3bpr h LEU 679 N 1.34 0.41 -0.14 2.11 5.85 0.14 -2.73 115.31 122.29 3bpr h LEU 679 Ca -0.47 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.17 3bpr h LEU 679 Cb 1.19 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 3bpr h LEU 679 CO 0.64 0.48 0.04 -0.74 -0.34 0.00 0.00 178.44 178.52 3bpr h HIS 680 N 0.43 0.23 0.00 1.25 2.76 -1.73 -1.53 115.15 116.56 3bpr h HIS 680 Ca 0.10 -0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.19 3bpr h HIS 680 Cb 0.29 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.18 3bpr h HIS 680 CO 0.01 0.34 -0.24 1.15 -1.30 0.00 0.00 177.93 177.89 3bpr h THR 681 N 0.04 0.55 -0.14 6.26 2.02 -1.86 -2.59 112.91 117.19 3bpr h THR 681 Ca 0.04 -1.23 -0.13 0.00 0.77 0.00 0.00 66.41 65.87 3bpr h THR 681 Cb 0.22 1.85 0.00 0.00 -1.74 0.00 0.00 68.15 68.48 3bpr h THR 681 CO -0.00 0.24 -0.40 0.22 0.37 0.00 0.00 175.52 175.94 3bpr h TYR 682 N 0.00 0.67 -0.59 3.16 5.03 -1.24 -1.70 116.97 122.30 3bpr h TYR 682 Ca -0.00 -0.27 0.02 0.00 2.58 0.00 0.00 58.73 61.06 3bpr h TYR 682 Cb 0.83 -0.11 -0.04 0.00 1.55 0.00 0.00 36.73 38.96 3bpr h TYR 682 CO 0.00 1.02 0.37 -0.07 -1.32 0.00 0.00 178.16 178.16 3bpr h LEU 683 N 0.13 0.61 0.06 2.82 3.38 -0.92 -0.59 115.31 120.80 3bpr h LEU 683 Ca -0.01 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3bpr h LEU 683 Cb 1.02 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.64 3bpr h LEU 683 CO 0.09 0.43 -0.03 -0.07 0.09 0.00 0.00 178.44 178.95 3bpr h LEU 684 N 0.73 -0.07 -1.28 1.67 3.38 -1.49 -2.74 115.31 115.51 3bpr h LEU 684 Ca 0.23 -0.08 0.15 0.00 0.09 0.00 0.00 57.88 58.28 3bpr h LEU 684 Cb -0.00 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 40.69 3bpr h LEU 684 CO -0.09 0.04 0.58 1.88 0.09 0.00 0.00 178.44 180.94 3bpr h TYR 685 N -0.17 0.82 0.00 1.13 0.99 -0.79 0.25 116.97 119.20 3bpr h TYR 685 Ca -0.01 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.75 3bpr h TYR 685 Cb 0.15 -0.26 0.00 0.00 1.00 0.00 0.00 36.73 37.62 3bpr h TYR 685 CO -0.05 0.29 0.00 0.66 -0.00 0.00 0.00 178.16 179.06 3bpr h SER 686 N 0.68 0.00 0.32 3.88 4.64 -0.81 -0.31 113.55 121.95 3bpr h SER 686 Ca 0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 3bpr h SER 686 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 3bpr h SER 686 CO -0.22 0.00 -0.17 0.54 -0.87 0.00 0.00 176.83 176.11 3bpr n ARG 687 N -2.55 0.73 -4.34 4.77 1.74 0.07 -4.15 116.66 112.94 3bpr n ARG 687 Ca -0.01 -0.33 -0.31 0.00 -0.77 0.00 0.00 57.85 56.43 3bpr n ARG 687 Cb 0.12 -1.49 -0.10 0.00 -1.02 0.00 0.00 32.46 29.96 3bpr n ARG 687 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3bpr s LEU 688 N -2.50 3.12 1.03 0.55 1.43 -0.13 -5.12 118.68 117.06 3bpr s LEU 688 Ca 0.27 -0.27 -0.12 0.00 -1.03 0.00 0.00 54.13 52.98 3bpr s LEU 688 Cb 0.20 -1.86 0.21 0.00 0.03 0.00 0.00 46.19 44.77 3bpr s LEU 688 CO 0.50 0.22 1.08 -1.61 0.23 0.00 0.00 176.35 176.77 3bpr s GLU 689 N -1.86 0.09 0.00 1.70 0.41 -1.26 -3.31 118.70 114.46 3bpr s GLU 689 Ca 0.20 1.13 0.00 0.00 -0.41 0.00 0.00 54.97 55.89 3bpr s GLU 689 Cb -0.11 -1.65 0.00 0.00 -1.78 0.00 0.00 34.13 30.59 3bpr s GLU 689 CO 0.11 -3.13 0.00 0.25 -0.49 0.00 0.00 175.26 172.01 3bpr n THR 690 N -4.53 0.00 -1.93 3.63 -2.24 -1.26 -4.92 114.28 103.03 3bpr n THR 690 Ca 0.07 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.56 3bpr n THR 690 Cb 0.53 0.00 0.08 0.00 -2.10 0.00 0.00 70.33 68.84 3bpr n THR 690 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3bpr s GLY 691 N 0.00 1.60 0.13 3.38 0.00 -1.21 -5.00 107.32 106.23 3bpr s GLY 691 Ca 0.00 -0.61 -0.26 0.00 0.00 0.00 0.00 44.72 43.85 3bpr s GLY 691 CO 0.00 -0.16 0.53 -1.05 0.00 0.00 0.00 173.10 172.42 3bpr n PRO 692 N -3.22 0.00 -0.79 2.90 -0.01 -1.26 -4.84 135.00 127.77 3bpr n PRO 692 Ca 0.08 0.00 -0.33 0.00 -0.01 0.00 0.00 63.50 63.24 3bpr n PRO 692 Cb 0.60 -0.92 0.12 0.00 -0.01 0.00 0.00 33.50 33.29 3bpr n PRO 692 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 175.50 175.85 3bpr n LYS 693 N 0.92 -0.37 -1.56 -0.52 0.00 -1.26 -4.18 118.16 111.19 3bpr n LYS 693 Ca 0.15 -0.07 -0.51 0.00 -0.00 0.00 0.00 58.31 57.88 3bpr n LYS 693 Cb 0.18 -1.84 -0.06 0.00 -0.00 0.00 0.00 35.03 33.31 3bpr n LYS 693 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 3bpr n HIS 694 N -3.64 1.88 -2.09 5.58 -0.00 -1.26 -4.83 115.22 110.86 3bpr n HIS 694 Ca 0.06 0.25 -0.43 0.00 0.46 0.00 0.00 57.72 58.06 3bpr n HIS 694 Cb 0.54 -2.56 -0.03 0.00 -0.12 0.00 0.00 29.99 27.83 3bpr n HIS 694 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 3bpr s ILE 695 N 5.83 3.64 0.77 3.57 1.01 -1.26 -5.00 121.20 129.76 3bpr s ILE 695 Ca 1.03 0.70 -0.12 0.00 0.00 0.00 0.00 60.65 62.27 3bpr s ILE 695 Cb -0.84 -3.71 0.05 0.00 0.01 0.00 0.00 42.46 37.97 3bpr s ILE 695 CO 0.53 -0.34 1.11 -2.16 0.00 0.00 0.00 174.94 174.07 3bpr s PRO 696 N 4.94 2.29 0.21 2.79 0.04 -1.26 -4.79 135.00 139.22 3bpr s PRO 696 Ca 0.73 0.48 -0.11 0.00 0.04 0.00 0.00 61.00 62.15 3bpr s PRO 696 Cb -0.24 -1.96 0.29 0.00 0.04 0.00 0.00 34.50 32.64 3bpr s PRO 696 CO 0.31 -1.44 1.67 1.25 0.04 0.00 0.00 177.00 178.83 3bpr h LEU 697 N -0.95 -0.23 -0.90 -3.56 5.85 -1.99 -0.73 115.31 112.80 3bpr h LEU 697 Ca -0.46 0.14 0.18 0.00 0.84 0.00 0.00 57.88 58.58 3bpr h LEU 697 Cb 1.27 0.25 -0.11 0.00 0.37 0.00 0.00 40.66 42.45 3bpr h LEU 697 CO 0.62 -0.10 0.47 1.56 -0.34 0.00 0.00 178.44 180.66 3bpr h GLN 698 N 0.14 0.59 -0.23 1.25 7.50 -1.97 -0.18 115.11 122.21 3bpr h GLN 698 Ca 0.32 -0.04 -0.20 0.00 0.50 0.00 0.00 58.65 59.24 3bpr h GLN 698 Cb 0.51 -0.13 0.00 0.00 0.05 0.00 0.00 27.48 27.91 3bpr h GLN 698 CO -0.50 0.39 -0.63 1.15 -1.50 0.00 0.00 178.83 177.74 3bpr h THR 699 N 0.60 1.28 -0.59 -0.54 2.02 -1.51 -1.87 112.91 112.30 3bpr h THR 699 Ca 0.52 -1.82 -0.01 0.00 0.77 0.00 0.00 66.41 65.87 3bpr h THR 699 Cb 0.83 1.76 -0.03 0.00 -1.74 0.00 0.00 68.15 68.97 3bpr h THR 699 CO -0.41 0.59 0.35 -0.07 0.37 0.00 0.00 175.52 176.34 3bpr h LEU 700 N 0.60 0.71 -0.11 2.58 3.38 -0.66 -1.62 115.31 120.19 3bpr h LEU 700 Ca -0.01 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 3bpr h LEU 700 Cb 1.23 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 3bpr h LEU 700 CO 0.13 0.55 -0.12 -0.07 0.09 0.00 0.00 178.44 179.03 3bpr h LEU 701 N 0.82 0.30 -0.91 1.67 3.38 -1.01 -2.96 115.31 116.59 3bpr h LEU 701 Ca 0.21 -0.49 0.19 0.00 0.09 0.00 0.00 57.88 57.88 3bpr h LEU 701 Cb -0.02 -0.08 -0.11 0.00 0.09 0.00 0.00 40.66 40.54 3bpr h LEU 701 CO -0.04 0.73 0.48 0.50 0.09 0.00 0.00 178.44 180.20 3bpr h LYS 702 N -0.13 0.57 -0.49 1.13 1.63 -1.04 0.89 116.57 119.13 3bpr h LYS 702 Ca 0.02 -0.03 0.06 0.00 -0.85 0.00 0.00 60.65 59.85 3bpr h LYS 702 Cb 0.65 -0.13 -0.05 0.00 -0.60 0.00 0.00 32.23 32.10 3bpr h LYS 702 CO 0.03 0.37 0.19 0.74 -3.45 0.00 0.00 179.45 177.33 3bpr h PHE 703 N 0.58 0.33 -0.27 1.91 0.04 -1.25 -1.31 116.94 116.97 3bpr h PHE 703 Ca 0.54 0.02 -0.14 0.00 2.80 0.00 0.00 57.97 61.19 3bpr h PHE 703 Cb 0.89 -0.08 -0.00 0.00 2.20 0.00 0.00 35.95 38.97 3bpr h PHE 703 CO -0.08 0.12 -0.39 0.52 -0.60 0.00 0.00 178.31 177.88 3bpr h MET 704 N 0.37 0.75 0.21 1.51 2.86 -0.77 -2.86 114.93 117.00 3bpr h MET 704 Ca 0.23 -0.44 0.01 0.00 -2.06 0.00 0.00 59.70 57.45 3bpr h MET 704 Cb 0.23 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.89 3bpr h MET 704 CO -0.23 1.06 -0.41 0.28 1.06 0.00 0.00 176.91 178.68 3bpr h VAL 705 N 0.49 0.18 -0.88 -2.22 2.07 -0.65 0.23 116.25 115.47 3bpr h VAL 705 Ca 0.03 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.75 3bpr h VAL 705 Cb 0.98 0.18 -0.16 0.00 -1.52 0.00 0.00 31.29 30.77 3bpr h VAL 705 CO 0.09 0.00 -0.07 0.44 0.02 0.00 0.00 177.57 178.05 3bpr h ASP 706 N -0.70 -0.56 -0.37 0.57 5.19 -1.21 0.51 116.42 119.85 3bpr h ASP 706 Ca 0.00 0.25 -0.15 0.00 -0.62 0.00 0.00 57.03 56.51 3bpr h ASP 706 Cb 0.69 0.46 -0.01 0.00 0.18 0.00 0.00 39.33 40.66 3bpr h ASP 706 CO -0.18 -0.27 -0.34 0.40 -3.12 0.00 0.00 179.24 175.72 3bpr h ILE 707 N 0.04 1.27 -0.45 0.35 2.04 -1.18 0.41 117.51 119.99 3bpr h ILE 707 Ca 0.48 -1.51 0.00 0.00 1.00 0.00 0.00 64.86 64.83 3bpr h ILE 707 Cb 0.86 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 38.24 3bpr h ILE 707 CO -0.84 0.51 0.29 0.00 0.00 0.00 0.00 178.15 178.11 3bpr h ALA 708 N 0.85 0.57 -0.18 1.87 0.00 0.22 -0.17 119.26 122.42 3bpr h ALA 708 Ca 0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3bpr h ALA 708 Cb 0.92 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3bpr h ALA 708 CO 0.09 0.03 0.08 -0.07 0.00 0.00 0.00 179.25 179.38 3bpr h LEU 709 N 0.60 0.24 -0.73 0.00 3.38 0.27 0.21 115.31 119.29 3bpr h LEU 709 Ca 0.16 -0.14 0.10 0.00 0.09 0.00 0.00 57.88 58.09 3bpr h LEU 709 Cb -0.05 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 40.57 3bpr h LEU 709 CO -0.03 0.31 0.37 1.23 0.09 0.00 0.00 178.44 180.41 3bpr h GLY 710 N 0.16 1.11 1.74 0.83 0.00 -0.61 -1.96 103.07 104.34 3bpr h GLY 710 Ca 0.06 -0.23 -0.17 0.00 0.00 0.00 0.00 47.33 46.98 3bpr h GLY 710 CO -0.01 0.06 -0.74 -0.33 0.00 0.00 0.00 176.54 175.52 3bpr h MET 711 N 0.63 0.25 0.10 4.80 2.86 -0.75 -2.69 114.93 120.12 3bpr h MET 711 Ca 0.36 -0.22 0.02 0.00 -2.06 0.00 0.00 59.70 57.81 3bpr h MET 711 Cb 0.38 0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.04 3bpr h MET 711 CO -0.27 0.88 -0.37 1.49 1.06 0.00 0.00 176.91 179.71 3bpr h GLU 712 N 0.16 -0.56 -0.62 1.72 4.81 0.15 0.50 114.58 120.74 3bpr h GLU 712 Ca -0.03 0.04 0.12 0.00 -0.13 0.00 0.00 59.36 59.36 3bpr h GLU 712 Cb 1.31 0.13 -0.09 0.00 0.63 0.00 0.00 28.75 30.73 3bpr h GLU 712 CO 0.12 -0.38 0.15 -0.92 -0.73 0.00 0.00 179.01 177.25 3bpr h TYR 713 N -0.58 0.25 -0.30 0.92 3.20 -1.40 -2.06 116.97 116.99 3bpr h TYR 713 Ca 0.03 0.04 -0.15 0.00 3.14 0.00 0.00 58.73 61.79 3bpr h TYR 713 Cb 0.62 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.88 3bpr h TYR 713 CO -0.33 -0.02 -0.41 -0.07 -1.64 0.00 0.00 178.16 175.70 3bpr h LEU 714 N 0.29 0.88 -1.67 2.82 3.38 -1.08 -2.36 115.31 117.55 3bpr h LEU 714 Ca 0.33 -0.50 0.10 0.00 0.09 0.00 0.00 57.88 57.89 3bpr h LEU 714 Cb 0.48 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 3bpr h LEU 714 CO -0.40 1.20 0.39 -1.28 0.09 0.00 0.00 178.44 178.44 3bpr h SER 715 N 0.57 0.33 -0.14 -0.43 0.87 -0.71 0.91 113.55 114.96 3bpr h SER 715 Ca 0.03 0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.55 3bpr h SER 715 Cb 1.00 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.89 3bpr h SER 715 CO 0.10 0.20 -0.10 0.78 -0.53 0.00 0.00 176.83 177.28 3bpr h ASN 716 N 0.37 0.33 0.00 6.23 2.35 -0.88 -2.58 115.58 121.40 3bpr h ASN 716 Ca 0.26 -0.45 0.00 0.00 -0.55 0.00 0.00 56.30 55.56 3bpr h ASN 716 Cb 0.55 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.83 3bpr h ASN 716 CO -0.07 0.71 0.00 -1.14 -1.65 0.00 0.00 177.43 175.28 3bpr n ARG 717 N -4.62 0.44 -3.70 0.81 3.00 -0.96 -4.82 116.66 106.82 3bpr n ARG 717 Ca -0.06 0.00 -0.27 0.00 -0.00 0.00 0.00 57.85 57.52 3bpr n ARG 717 Cb 0.32 -1.22 0.04 0.00 0.00 0.00 0.00 32.46 31.61 3bpr n ARG 717 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 3bpr n ASN 718 N -0.72 -5.45 -4.68 6.15 3.02 -0.93 -4.96 115.26 107.69 3bpr n ASN 718 Ca 0.05 -0.63 -0.35 0.00 -0.03 0.00 0.00 54.58 53.62 3bpr n ASN 718 Cb 0.02 -4.33 -0.09 0.00 -0.61 0.00 0.00 39.78 34.77 3bpr n ASN 718 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3bpr s PHE 719 N -3.27 3.33 -0.29 3.10 2.19 0.27 -5.01 117.98 118.30 3bpr s PHE 719 Ca 0.60 0.19 -0.15 0.00 0.33 0.00 0.00 56.93 57.90 3bpr s PHE 719 Cb -0.29 -2.11 -0.03 0.00 -1.31 0.00 0.00 43.02 39.28 3bpr s PHE 719 CO 0.74 0.22 0.38 -0.51 1.83 0.00 0.00 175.22 177.88 3bpr s LEU 720 N 0.34 4.13 -0.03 6.12 1.02 -1.26 -4.17 118.68 124.83 3bpr s LEU 720 Ca 0.05 0.17 -0.12 0.00 0.02 0.00 0.00 54.13 54.25 3bpr s LEU 720 Cb -0.12 -2.42 -0.07 0.00 0.02 0.00 0.00 46.19 43.61 3bpr s LEU 720 CO -0.01 -0.23 0.56 -0.74 0.02 0.00 0.00 176.35 175.95 3bpr h HIS 721 N 8.25 -0.41 0.00 0.29 2.76 -1.96 -3.42 115.15 120.66 3bpr h HIS 721 Ca -0.31 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.85 3bpr h HIS 721 Cb 1.16 0.14 0.00 0.00 1.55 0.00 0.00 27.41 30.25 3bpr h HIS 721 CO 0.74 -0.26 0.00 0.54 -1.30 0.00 0.00 177.93 177.66 3bpr n ARG 722 N -4.67 -0.36 -2.70 5.26 1.74 -1.26 -0.95 116.66 113.73 3bpr n ARG 722 Ca -0.05 0.09 -0.07 0.00 -0.77 0.00 0.00 57.85 57.04 3bpr n ARG 722 Cb 0.17 -3.36 0.11 0.00 -1.02 0.00 0.00 32.46 28.36 3bpr n ARG 722 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3bpr n ASP 723 N -0.18 -1.51 -4.74 0.55 2.03 -1.26 -4.88 116.55 106.57 3bpr n ASP 723 Ca 0.00 -2.48 -0.40 0.00 0.52 0.00 0.00 54.79 52.43 3bpr n ASP 723 Cb 0.09 0.83 -0.05 0.00 -0.72 0.00 0.00 41.12 41.27 3bpr n ASP 723 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3bpr s LEU 724 N -3.22 4.44 -0.15 -2.67 2.96 -1.26 -4.79 118.68 113.99 3bpr s LEU 724 Ca 0.22 1.47 -0.34 0.00 -0.22 0.00 0.00 54.13 55.27 3bpr s LEU 724 Cb 0.41 -3.27 0.13 0.00 0.50 0.00 0.00 46.19 43.96 3bpr s LEU 724 CO -0.08 -0.02 1.18 0.00 -1.32 0.00 0.00 176.35 176.12 3bpr s ALA 725 N 0.07 -2.06 0.37 5.97 0.00 -1.26 -4.75 121.76 120.10 3bpr s ALA 725 Ca 0.40 1.41 0.30 0.00 0.00 0.00 0.00 51.96 54.07 3bpr s ALA 725 Cb -0.21 0.01 1.52 0.00 0.00 0.00 0.00 23.12 24.44 3bpr s ALA 725 CO 0.24 -0.67 2.08 0.00 0.00 0.00 0.00 175.76 177.41 3bpr h ALA 726 N 2.00 1.18 -0.20 0.00 0.00 -1.93 -1.21 119.26 119.09 3bpr h ALA 726 Ca -0.13 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 3bpr h ALA 726 Cb 1.18 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 3bpr h ALA 726 CO 0.24 0.12 0.06 0.07 0.00 0.00 0.00 179.25 179.74 3bpr h ARG 727 N 0.00 0.28 -0.83 0.00 0.11 -1.95 -2.71 114.38 109.28 3bpr h ARG 727 Ca -0.00 -0.03 -0.30 0.00 0.10 0.00 0.00 59.98 59.75 3bpr h ARG 727 Cb 0.36 -0.06 -0.18 0.00 1.11 0.00 0.00 29.97 31.20 3bpr h ARG 727 CO 0.01 0.26 0.38 0.09 0.10 0.00 0.00 179.97 180.81 3bpr n ASN 728 N -4.43 4.54 -4.21 0.08 5.03 -0.46 -4.67 115.26 111.14 3bpr n ASN 728 Ca 0.00 -3.31 -0.31 0.00 0.87 0.00 0.00 54.58 51.82 3bpr n ASN 728 Cb 0.14 -0.77 -0.17 0.00 -1.02 0.00 0.00 39.78 37.95 3bpr n ASN 728 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3bpr s MET 730 N 0.29 2.93 -0.20 0.00 -1.94 -0.41 0.63 119.30 120.59 3bpr s MET 730 Ca -0.16 -0.89 -0.09 0.00 -1.71 0.00 0.00 55.69 52.84 3bpr s MET 730 Cb -0.17 -2.65 -0.05 0.00 2.01 0.00 0.00 34.83 33.98 3bpr s MET 730 CO 0.08 0.47 0.12 -0.51 -0.01 0.00 0.00 175.02 175.16 3bpr s LEU 731 N -3.23 4.11 0.83 -0.03 1.43 -0.61 -2.02 118.68 119.16 3bpr s LEU 731 Ca 0.31 0.19 -0.12 0.00 -1.03 0.00 0.00 54.13 53.48 3bpr s LEU 731 Cb -0.10 -2.06 0.09 0.00 0.03 0.00 0.00 46.19 44.15 3bpr s LEU 731 CO 0.24 0.17 1.11 -0.13 0.23 0.00 0.00 176.35 177.97 3bpr s ARG 732 N 0.41 1.83 0.65 1.70 0.52 0.45 -4.17 118.95 120.34 3bpr s ARG 732 Ca 0.07 0.56 0.33 0.00 -0.52 0.00 0.00 55.73 56.17 3bpr s ARG 732 Cb -0.11 -1.90 1.83 0.00 0.52 0.00 0.00 34.95 35.29 3bpr s ARG 732 CO -0.01 -1.78 2.06 -0.44 0.02 0.00 0.00 175.30 175.15 3bpr h ASP 733 N -1.20 0.00 -0.42 0.23 5.19 -1.94 -0.08 116.42 118.19 3bpr h ASP 733 Ca -0.48 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 55.90 3bpr h ASP 733 Cb 1.28 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.78 3bpr h ASP 733 CO 0.60 0.00 0.02 -0.90 -3.12 0.00 0.00 179.24 175.84 3bpr n ASP 734 N -3.14 4.63 -0.46 6.45 5.68 -1.26 -4.95 116.55 123.48 3bpr n ASP 734 Ca -0.01 -3.04 -0.06 0.00 -0.50 0.00 0.00 54.79 51.18 3bpr n ASP 734 Cb 0.31 -0.62 -0.03 0.00 -1.14 0.00 0.00 41.12 39.65 3bpr n ASP 734 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 3bpr n MET 735 N -0.08 -1.35 -2.16 0.11 2.81 -0.04 -5.00 117.12 111.39 3bpr n MET 735 Ca 0.26 0.64 -0.38 0.00 -1.81 0.00 0.00 57.70 56.41 3bpr n MET 735 Cb 1.06 -4.78 -0.00 0.00 -0.71 0.00 0.00 33.22 28.78 3bpr n MET 735 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 3bpr s THR 736 N -1.76 2.89 -0.11 2.03 2.01 -1.26 -4.78 115.64 114.66 3bpr s THR 736 Ca 0.00 0.71 -0.08 0.00 0.31 0.00 0.00 61.69 62.63 3bpr s THR 736 Cb 0.00 -3.38 -0.04 0.00 0.01 0.00 0.00 72.50 69.09 3bpr s THR 736 CO 0.00 0.03 0.16 -0.69 -0.69 0.00 0.00 174.62 173.43 3bpr s VAL 737 N -1.43 5.47 0.13 3.82 1.01 -1.26 -0.41 120.40 127.72 3bpr s VAL 737 Ca 0.62 0.26 0.05 0.00 0.00 0.00 0.00 61.98 62.91 3bpr s VAL 737 Cb -0.32 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 3bpr s VAL 737 CO 0.40 0.61 -0.13 0.00 0.00 0.00 0.00 175.10 175.98 3bpr s VAL 739 N -2.48 4.53 0.32 0.00 1.01 -0.76 -1.29 120.40 121.73 3bpr s VAL 739 Ca 0.11 1.48 0.06 0.00 0.00 0.00 0.00 61.98 63.63 3bpr s VAL 739 Cb -0.03 -4.03 -0.02 0.00 0.00 0.00 0.00 36.38 32.30 3bpr s VAL 739 CO 0.02 0.52 0.22 0.00 0.00 0.00 0.00 175.10 175.87 3bpr n ALA 740 N 1.60 0.62 -1.01 5.51 0.00 -0.62 -1.54 120.51 125.08 3bpr n ALA 740 Ca -0.07 -1.79 -0.00 0.00 0.00 0.00 0.00 53.44 51.57 3bpr n ALA 740 Cb 0.50 1.38 -0.00 0.00 0.00 0.00 0.00 19.45 21.33 3bpr n ALA 740 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3bpr n ASP 741 N -1.75 -5.61 -4.69 0.00 9.92 -1.26 -4.84 116.55 108.31 3bpr n ASP 741 Ca 0.04 0.01 -0.44 0.00 -0.53 0.00 0.00 54.79 53.87 3bpr n ASP 741 Cb 0.55 -3.13 -0.02 0.00 -0.64 0.00 0.00 41.12 37.88 3bpr n ASP 741 CO 0.00 0.00 0.00 2.22 0.13 0.00 0.00 177.20 179.55 3bpr n PHE 742 N -2.13 2.33 0.00 1.24 1.16 -1.26 -4.49 117.46 114.31 3bpr n PHE 742 Ca -0.00 0.44 0.00 0.00 -1.87 0.00 0.00 57.45 56.01 3bpr n PHE 742 Cb 0.44 -2.47 0.00 0.00 -1.61 0.00 0.00 39.48 35.84 3bpr n PHE 742 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3bpr n GLY 743 N 1.74 3.35 3.32 4.97 0.00 -0.12 -4.90 105.19 113.54 3bpr n GLY 743 Ca 0.09 0.21 -0.15 0.00 0.00 0.00 0.00 46.02 46.17 3bpr n GLY 743 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3bpr n LEU 744 N 0.00 -5.18 0.00 0.99 4.32 -1.26 -4.91 117.00 110.96 3bpr n LEU 744 Ca 0.00 -0.61 0.00 0.00 -0.02 0.00 0.00 56.01 55.38 3bpr n LEU 744 Cb 0.00 -2.99 0.00 0.00 -1.62 0.00 0.00 43.42 38.81 3bpr n LEU 744 CO 0.00 -0.15 0.00 -0.24 -1.22 0.00 0.00 177.39 175.78 3bpr n SER 745 N -2.67 0.00 0.00 -1.43 2.88 -1.26 -5.20 113.62 105.95 3bpr n SER 745 Ca -0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 3bpr n SER 745 Cb 0.58 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.04 3bpr n SER 745 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3bpr n PRO 763 N 0.00 0.00 -0.27 -1.46 -0.04 -1.26 -5.16 135.00 126.81 3bpr n PRO 763 Ca 0.00 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.60 3bpr n PRO 763 Cb 0.00 0.00 0.40 0.00 -0.04 0.00 0.00 33.50 33.86 3bpr n PRO 763 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3bpr h VAL 764 N 0.00 0.78 0.00 0.52 2.07 -1.97 -0.61 116.25 117.05 3bpr h VAL 764 Ca 0.00 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.30 3bpr h VAL 764 Cb 0.00 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 29.86 3bpr h VAL 764 CO 0.00 0.12 0.00 0.29 0.02 0.00 0.00 177.57 178.00 3bpr n LYS 765 N -4.57 0.78 0.00 1.57 5.02 -1.26 -2.63 118.16 117.07 3bpr n LYS 765 Ca 0.19 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.52 3bpr n LYS 765 Cb 0.54 -1.42 -0.03 0.00 -0.02 0.00 0.00 35.03 34.09 3bpr n LYS 765 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 3bpr n TRP 766 N -0.92 0.00 -3.07 2.13 8.01 -0.24 -4.95 117.44 118.41 3bpr n TRP 766 Ca 0.16 0.00 -0.39 0.00 -1.31 0.00 0.00 57.50 55.95 3bpr n TRP 766 Cb 0.07 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.32 3bpr n TRP 766 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.69 177.10 3bpr s ILE 767 N -1.61 4.65 0.50 -0.99 1.01 -1.08 -3.89 121.20 119.79 3bpr s ILE 767 Ca 0.05 1.52 -0.20 0.00 0.00 0.00 0.00 60.65 62.02 3bpr s ILE 767 Cb 0.07 -4.06 -0.08 0.00 0.01 0.00 0.00 42.46 38.40 3bpr s ILE 767 CO 0.31 0.45 1.06 0.00 0.00 0.00 0.00 174.94 176.76 3bpr s ALA 768 N -0.59 2.82 0.27 9.38 0.00 -1.26 -4.81 121.76 127.58 3bpr s ALA 768 Ca 0.35 0.67 -0.06 0.00 0.00 0.00 0.00 51.96 52.92 3bpr s ALA 768 Cb -0.21 -3.28 0.50 0.00 0.00 0.00 0.00 23.12 20.13 3bpr s ALA 768 CO 0.22 -0.44 1.58 -0.84 0.00 0.00 0.00 175.76 176.28 3bpr h ILE 769 N 1.46 0.11 -0.10 0.00 -0.00 -1.97 -1.13 117.51 115.89 3bpr h ILE 769 Ca -0.50 -0.01 -0.11 0.00 -0.00 0.00 0.00 64.86 64.25 3bpr h ILE 769 Cb 1.23 0.09 -0.01 0.00 -0.00 0.00 0.00 36.82 38.13 3bpr h ILE 769 CO 0.58 0.00 -0.41 1.05 -0.00 0.00 0.00 178.15 179.37 3bpr h GLU 770 N 0.02 0.21 -0.01 0.16 9.09 -1.91 0.13 114.58 122.27 3bpr h GLU 770 Ca 0.48 -0.10 -0.22 0.00 0.05 0.00 0.00 59.36 59.57 3bpr h GLU 770 Cb 0.83 -0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.93 3bpr h GLU 770 CO -0.89 0.60 -0.92 0.77 0.05 0.00 0.00 179.01 178.61 3bpr h SER 771 N 0.18 0.50 -0.07 3.06 0.02 -1.36 0.43 113.55 116.31 3bpr h SER 771 Ca 0.02 -0.40 -0.01 0.00 -0.84 0.00 0.00 61.79 60.56 3bpr h SER 771 Cb 0.81 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 63.20 3bpr h SER 771 CO 0.06 1.19 0.02 0.25 -1.14 0.00 0.00 176.83 177.22 3bpr h LEU 772 N 0.22 0.10 0.30 5.07 5.85 -0.68 -2.37 115.31 123.81 3bpr h LEU 772 Ca -0.07 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.42 3bpr h LEU 772 Cb 1.55 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.56 3bpr h LEU 772 CO 0.16 0.29 -0.14 0.00 -0.34 0.00 0.00 178.44 178.40 3bpr h ALA 773 N 0.82 -0.72 -0.01 1.25 0.00 -0.74 -3.40 119.26 116.46 3bpr h ALA 773 Ca 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3bpr h ALA 773 Cb 0.22 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3bpr h ALA 773 CO -0.00 -0.69 -0.47 -0.40 0.00 0.00 0.00 179.25 177.69 3bpr n ASP 774 N -3.59 1.67 0.00 0.00 5.68 0.15 -4.97 116.55 115.49 3bpr n ASP 774 Ca -0.05 -1.33 0.00 0.00 -0.50 0.00 0.00 54.79 52.91 3bpr n ASP 774 Cb 0.16 0.55 0.00 0.00 -1.14 0.00 0.00 41.12 40.69 3bpr n ASP 774 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3bpr n ARG 775 N -0.28 0.00 -1.53 0.11 5.12 -0.89 -4.99 116.66 114.20 3bpr n ARG 775 Ca 0.07 0.00 -0.46 0.00 -1.93 0.00 0.00 57.85 55.53 3bpr n ARG 775 Cb 0.38 -1.00 -0.02 0.00 -1.16 0.00 0.00 32.46 30.66 3bpr n ARG 775 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3bpr n VAL 776 N -2.00 1.84 -3.64 1.55 0.31 -1.26 -4.87 118.33 110.26 3bpr n VAL 776 Ca 0.00 -0.46 -0.14 0.00 -0.01 0.00 0.00 64.34 63.73 3bpr n VAL 776 Cb 0.00 -0.66 -0.13 0.00 -0.91 0.00 0.00 33.84 32.14 3bpr n VAL 776 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 3bpr s TYR 777 N -0.93 -0.41 0.36 3.52 5.04 -1.26 -3.64 117.35 120.03 3bpr s TYR 777 Ca 0.62 0.88 0.04 0.00 -2.44 0.00 0.00 57.07 56.18 3bpr s TYR 777 Cb -0.80 -0.08 -0.06 0.00 0.35 0.00 0.00 41.96 41.37 3bpr s TYR 777 CO 0.58 -0.38 0.05 0.95 -1.34 0.00 0.00 175.55 175.41 3bpr s THR 778 N 2.41 1.36 0.66 4.34 -4.23 -1.26 -4.99 115.64 113.93 3bpr s THR 778 Ca 0.02 -2.00 0.38 0.00 -1.18 0.00 0.00 61.69 58.91 3bpr s THR 778 Cb -0.12 -2.81 0.39 0.00 1.34 0.00 0.00 72.50 71.30 3bpr s THR 778 CO -0.09 0.00 2.19 0.77 -0.54 0.00 0.00 174.62 176.96 3bpr h SER 779 N 1.99 0.00 0.08 3.99 4.64 -1.99 0.76 113.55 123.02 3bpr h SER 779 Ca -0.41 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.85 3bpr h SER 779 Cb 1.25 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.33 3bpr h SER 779 CO 0.72 0.00 -0.17 0.11 -0.87 0.00 0.00 176.83 176.62 3bpr h LYS 780 N 0.00 0.18 -0.36 4.77 1.79 -1.94 -0.70 116.57 120.31 3bpr h LYS 780 Ca 0.01 -0.04 -0.10 0.00 -2.18 0.00 0.00 60.65 58.33 3bpr h LYS 780 Cb 0.27 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.88 3bpr h LYS 780 CO -0.00 0.36 -0.20 0.77 -1.08 0.00 0.00 179.45 179.29 3bpr h SER 781 N 0.17 0.69 -0.62 0.86 0.02 0.17 -1.07 113.55 113.76 3bpr h SER 781 Ca 0.03 -0.23 -0.05 0.00 -0.84 0.00 0.00 61.79 60.70 3bpr h SER 781 Cb 0.41 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.73 3bpr h SER 781 CO 0.03 0.89 0.20 0.44 -1.14 0.00 0.00 176.83 177.24 3bpr h ASP 782 N 0.61 0.93 -0.38 3.07 3.32 -1.34 -1.98 116.42 120.64 3bpr h ASP 782 Ca 0.09 -0.17 0.05 0.00 0.02 0.00 0.00 57.03 57.03 3bpr h ASP 782 Cb 0.68 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 3bpr h ASP 782 CO 0.05 0.88 0.26 0.58 -1.72 0.00 0.00 179.24 179.29 3bpr h VAL 783 N 0.96 0.96 0.04 -1.35 2.07 -0.08 0.15 116.25 119.00 3bpr h VAL 783 Ca 0.21 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.63 3bpr h VAL 783 Cb 0.29 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 3bpr h VAL 783 CO -0.01 0.05 -0.02 -0.25 0.02 0.00 0.00 177.57 177.37 3bpr h TRP 784 N 0.29 -0.04 -0.79 1.57 2.91 -0.64 -2.67 115.95 116.58 3bpr h TRP 784 Ca 0.17 -0.00 0.13 0.00 1.13 0.00 0.00 58.89 60.31 3bpr h TRP 784 Cb 0.29 0.01 -0.09 0.00 -0.51 0.00 0.00 29.16 28.87 3bpr h TRP 784 CO -0.00 0.39 0.39 0.00 -1.03 0.00 0.00 178.44 178.19 3bpr h ALA 785 N 0.44 1.14 -0.98 2.65 0.00 -0.65 -1.46 119.26 120.41 3bpr h ALA 785 Ca -0.00 0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.01 3bpr h ALA 785 Cb 0.46 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 3bpr h ALA 785 CO 0.01 -0.09 0.64 0.35 0.00 0.00 0.00 179.25 180.16 3bpr h PHE 786 N 0.59 1.20 -0.47 0.00 3.57 -0.65 -0.34 116.94 120.85 3bpr h PHE 786 Ca 0.42 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.94 3bpr h PHE 786 Cb 0.55 -0.40 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 3bpr h PHE 786 CO -0.11 0.71 0.27 0.78 -2.23 0.00 0.00 178.31 177.74 3bpr h GLY 787 N 1.26 0.68 0.78 2.40 0.00 -0.92 0.12 103.07 107.39 3bpr h GLY 787 Ca 0.38 -0.29 0.05 0.00 0.00 0.00 0.00 47.33 47.47 3bpr h GLY 787 CO -0.11 0.28 0.57 -2.08 0.00 0.00 0.00 176.54 175.20 3bpr h VAL 788 N 0.62 1.09 -0.50 4.60 2.07 -1.03 -2.32 116.25 120.78 3bpr h VAL 788 Ca 0.17 -0.36 -0.06 0.00 0.82 0.00 0.00 66.70 67.26 3bpr h VAL 788 Cb 0.01 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 29.70 3bpr h VAL 788 CO -0.03 0.19 0.08 0.74 0.02 0.00 0.00 177.57 178.57 3bpr h THR 789 N 1.06 1.25 -0.64 2.57 2.02 -0.14 -0.49 112.91 118.55 3bpr h THR 789 Ca 0.38 -0.93 0.05 0.00 0.77 0.00 0.00 66.41 66.68 3bpr h THR 789 Cb 0.11 0.89 -0.05 0.00 -1.74 0.00 0.00 68.15 67.35 3bpr h THR 789 CO -0.15 0.33 0.36 0.24 0.37 0.00 0.00 175.52 176.67 3bpr h MET 790 N 0.70 0.65 -0.19 6.66 2.86 -0.49 -1.73 114.93 123.40 3bpr h MET 790 Ca 0.15 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.75 3bpr h MET 790 Cb 0.40 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 3bpr h MET 790 CO 0.01 0.43 0.10 2.35 1.06 0.00 0.00 176.91 180.87 3bpr h TRP 791 N 0.67 0.25 -0.84 -0.22 7.01 -0.86 0.15 115.95 122.11 3bpr h TRP 791 Ca 0.28 -0.00 0.21 0.00 2.11 0.00 0.00 58.89 61.49 3bpr h TRP 791 Cb 0.16 -0.08 -0.14 0.00 -2.10 0.00 0.00 29.16 27.00 3bpr h TRP 791 CO -0.08 0.23 0.14 0.93 -2.79 0.00 0.00 178.44 176.87 3bpr h GLU 792 N 0.20 0.16 -0.09 2.65 5.08 -0.27 0.25 114.58 122.56 3bpr h GLU 792 Ca 0.07 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 3bpr h GLU 792 Cb 0.06 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 3bpr h GLU 792 CO -0.01 0.10 -0.04 0.82 -1.00 0.00 0.00 179.01 178.88 3bpr h ILE 793 N 0.16 1.32 -0.95 3.13 2.04 -0.46 -0.22 117.51 122.53 3bpr h ILE 793 Ca 0.50 -1.07 0.12 0.00 1.00 0.00 0.00 64.86 65.42 3bpr h ILE 793 Cb 0.97 1.85 -0.08 0.00 -0.74 0.00 0.00 36.82 38.82 3bpr h ILE 793 CO -0.67 0.30 0.61 0.00 0.00 0.00 0.00 178.15 178.38 3bpr h ALA 794 N 0.63 1.63 -0.00 1.87 0.00 0.87 -1.46 119.26 122.80 3bpr h ALA 794 Ca 0.02 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3bpr h ALA 794 Cb 0.50 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3bpr h ALA 794 CO 0.01 0.14 -0.25 0.25 0.00 0.00 0.00 179.25 179.40 3bpr n THR 795 N -4.58 0.00 -3.47 0.00 -2.24 0.74 -4.94 114.28 99.78 3bpr n THR 795 Ca 0.18 -0.07 -0.20 0.00 -2.27 0.00 0.00 64.05 61.69 3bpr n THR 795 Cb 0.38 0.16 0.08 0.00 -2.10 0.00 0.00 70.33 68.85 3bpr n THR 795 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3bpr n ARG 796 N -0.99 -7.07 0.00 -0.78 1.74 -0.48 -4.20 116.66 104.89 3bpr n ARG 796 Ca 0.11 0.81 0.00 0.00 -0.77 0.00 0.00 57.85 58.00 3bpr n ARG 796 Cb 0.32 -5.76 0.00 0.00 -1.02 0.00 0.00 32.46 26.00 3bpr n ARG 796 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3bpr n GLY 797 N -1.55 1.25 3.77 -0.13 0.00 -0.22 -4.12 105.19 104.19 3bpr n GLY 797 Ca -0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 3bpr n GLY 797 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3bpr s MET 798 N -0.07 4.22 0.26 1.61 -1.94 -1.26 -4.98 119.30 117.14 3bpr s MET 798 Ca 0.00 1.74 -0.30 0.00 -1.71 0.00 0.00 55.69 55.42 3bpr s MET 798 Cb 0.00 -2.76 -0.10 0.00 2.01 0.00 0.00 34.83 33.98 3bpr s MET 798 CO 0.00 -0.14 1.42 0.99 -0.01 0.00 0.00 175.02 177.28 3bpr s THR 799 N -1.43 2.66 0.58 2.05 2.01 -1.26 -4.76 115.64 115.48 3bpr s THR 799 Ca 0.54 0.57 -0.20 0.00 0.31 0.00 0.00 61.69 62.91 3bpr s THR 799 Cb -0.28 -3.36 -0.04 0.00 0.01 0.00 0.00 72.50 68.82 3bpr s THR 799 CO 0.36 0.10 1.26 -2.84 -0.69 0.00 0.00 174.62 172.81 3bpr s PRO 800 N -0.62 3.03 -0.90 4.92 0.02 -1.26 -4.05 135.00 136.14 3bpr s PRO 800 Ca 0.58 1.98 -0.03 0.00 0.02 0.00 0.00 61.00 63.54 3bpr s PRO 800 Cb -0.42 -2.05 -0.03 0.00 0.02 0.00 0.00 34.50 32.02 3bpr s PRO 800 CO 0.45 -1.20 0.80 0.66 -0.33 0.00 0.00 177.00 177.38 3bpr n TYR 801 N -1.37 -2.70 -1.86 6.54 4.02 -1.26 -4.94 117.16 115.59 3bpr n TYR 801 Ca 0.12 0.98 -0.40 0.00 -0.01 0.00 0.00 57.90 58.59 3bpr n TYR 801 Cb 0.48 -4.07 0.00 0.00 -0.02 0.00 0.00 39.34 35.73 3bpr n TYR 801 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 3bpr s PRO 802 N -3.78 3.95 0.00 -0.72 0.04 -1.26 -2.25 135.00 130.99 3bpr s PRO 802 Ca 0.23 2.43 0.00 0.00 0.04 0.00 0.00 61.00 63.69 3bpr s PRO 802 Cb -0.03 -2.83 0.00 0.00 0.04 0.00 0.00 34.50 31.68 3bpr s PRO 802 CO 0.75 -0.60 0.00 0.41 0.04 0.00 0.00 177.00 177.60 3bpr n GLY 803 N 0.56 2.67 3.53 0.56 0.00 -1.26 -5.00 105.19 106.25 3bpr n GLY 803 Ca 0.03 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 3bpr n GLY 803 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bpr s VAL 804 N -1.49 5.11 0.58 1.61 1.01 -0.95 -5.07 120.40 121.20 3bpr s VAL 804 Ca 0.00 -0.03 -0.17 0.00 0.00 0.00 0.00 61.98 61.77 3bpr s VAL 804 Cb 0.00 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 3bpr s VAL 804 CO 0.00 -0.24 1.10 -1.10 0.00 0.00 0.00 175.10 174.86 3bpr s GLN 805 N 2.14 3.23 0.18 2.72 -0.21 -1.26 -4.92 119.66 121.54 3bpr s GLN 805 Ca 0.13 1.43 -0.15 0.00 0.02 0.00 0.00 55.36 56.79 3bpr s GLN 805 Cb -0.16 -2.00 0.15 0.00 1.00 0.00 0.00 33.01 31.99 3bpr s GLN 805 CO 0.13 -0.92 1.66 -0.91 -2.12 0.00 0.00 175.29 173.13 3bpr h ASN 806 N 0.73 -0.38 0.02 5.90 2.35 -1.97 -1.85 115.58 120.38 3bpr h ASN 806 Ca -0.48 0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.40 3bpr h ASN 806 Cb 1.24 0.27 0.00 0.00 0.05 0.00 0.00 38.32 39.88 3bpr h ASN 806 CO 0.56 -0.13 0.00 1.12 -1.65 0.00 0.00 177.43 177.33 3bpr h HIS 807 N 0.03 0.00 -0.00 1.19 2.07 -2.03 -1.78 115.15 114.63 3bpr h HIS 807 Ca 0.23 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.75 3bpr h HIS 807 Cb 0.35 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.33 3bpr h HIS 807 CO -0.38 0.00 -0.48 0.39 -3.07 0.00 0.00 177.93 174.39 3bpr n GLU 808 N -2.67 0.16 -0.27 5.12 1.02 -0.70 -4.63 120.64 118.68 3bpr n GLU 808 Ca -0.02 -0.10 -0.04 0.00 -0.02 0.00 0.00 57.16 56.98 3bpr n GLU 808 Cb 0.06 -1.50 0.07 0.00 -0.02 0.00 0.00 31.44 30.05 3bpr n GLU 808 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 3bpr h MET 809 N 0.24 0.98 -0.40 3.49 2.86 -1.34 -1.55 114.93 119.20 3bpr h MET 809 Ca 0.00 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.56 3bpr h MET 809 Cb 0.50 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 3bpr h MET 809 CO 0.00 0.65 0.15 -0.92 1.06 0.00 0.00 176.91 177.85 3bpr h TYR 810 N 1.01 0.62 0.00 -0.22 5.03 -1.82 -1.79 116.97 119.80 3bpr h TYR 810 Ca 0.28 -0.05 -0.13 0.00 2.58 0.00 0.00 58.73 61.42 3bpr h TYR 810 Cb -0.09 -0.18 -0.02 0.00 1.55 0.00 0.00 36.73 37.99 3bpr h TYR 810 CO -0.02 0.56 -0.60 -0.44 -1.32 0.00 0.00 178.16 176.33 3bpr h ASP 811 N 0.51 0.00 -0.46 -2.11 5.19 -1.85 0.11 116.42 117.81 3bpr h ASP 811 Ca 0.13 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.44 3bpr h ASP 811 Cb 0.21 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.70 3bpr h ASP 811 CO -0.01 0.60 -0.10 0.22 -3.12 0.00 0.00 179.24 176.83 3bpr h TYR 812 N 0.00 0.98 -0.09 4.55 3.20 -1.07 -2.78 116.97 121.76 3bpr h TYR 812 Ca -0.01 -0.21 -0.23 0.00 3.14 0.00 0.00 58.73 61.42 3bpr h TYR 812 Cb 1.18 -0.24 0.01 0.00 1.54 0.00 0.00 36.73 39.22 3bpr h TYR 812 CO 0.00 0.96 -0.86 -0.07 -1.64 0.00 0.00 178.16 176.55 3bpr h LEU 813 N 0.71 0.85 -1.46 2.82 3.38 -1.20 -2.96 115.31 117.46 3bpr h LEU 813 Ca 0.12 -0.60 0.15 0.00 0.09 0.00 0.00 57.88 57.64 3bpr h LEU 813 Cb 0.64 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 41.08 3bpr h LEU 813 CO 0.04 1.40 0.54 0.25 0.09 0.00 0.00 178.44 180.76 3bpr h LEU 814 N 0.45 0.49 -2.08 1.67 5.85 -0.67 0.64 115.31 121.65 3bpr h LEU 814 Ca -0.07 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.63 3bpr h LEU 814 Cb 1.49 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.43 3bpr h LEU 814 CO 0.17 0.24 0.06 1.41 -0.34 0.00 0.00 178.44 179.99 3bpr n HIS 815 N -4.51 0.79 -1.17 1.25 8.25 -1.06 -4.88 115.22 113.88 3bpr n HIS 815 Ca 0.16 -0.45 -0.06 0.00 -0.26 0.00 0.00 57.72 57.11 3bpr n HIS 815 Cb 0.53 -0.31 -0.03 0.00 1.12 0.00 0.00 29.99 31.30 3bpr n HIS 815 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3bpr n GLY 816 N 0.13 0.82 3.80 -1.41 0.00 0.22 -5.01 105.19 103.74 3bpr n GLY 816 Ca 0.12 -0.49 -0.37 0.00 0.00 0.00 0.00 46.02 45.28 3bpr n GLY 816 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3bpr s HIS 817 N -2.12 3.74 0.43 1.61 3.76 -1.12 -5.04 115.29 116.56 3bpr s HIS 817 Ca 0.00 1.54 0.03 0.00 -0.15 0.00 0.00 55.06 56.48 3bpr s HIS 817 Cb 0.00 -2.72 -0.03 0.00 1.11 0.00 0.00 32.58 30.94 3bpr s HIS 817 CO 0.00 0.37 0.08 1.03 -0.85 0.00 0.00 174.74 175.38 3bpr s ARG 818 N -1.71 1.99 0.37 1.40 1.81 -1.26 -4.37 118.95 117.17 3bpr s ARG 818 Ca 0.42 -2.22 -0.28 0.00 -1.72 0.00 0.00 55.73 51.92 3bpr s ARG 818 Cb -0.19 -0.93 -0.11 0.00 -0.45 0.00 0.00 34.95 33.27 3bpr s ARG 818 CO 0.23 -0.41 1.49 -0.51 -0.68 0.00 0.00 175.30 175.42 3bpr s LEU 819 N -3.68 4.32 0.50 2.53 1.43 -1.26 -5.00 118.68 117.52 3bpr s LEU 819 Ca 0.20 3.03 -0.12 0.00 -1.03 0.00 0.00 54.13 56.21 3bpr s LEU 819 Cb 0.03 -3.66 -0.06 0.00 0.03 0.00 0.00 46.19 42.53 3bpr s LEU 819 CO 0.11 -0.87 0.90 -0.54 0.23 0.00 0.00 176.35 176.19 3bpr s LYS 820 N -1.93 3.76 0.10 1.70 1.02 -1.26 -5.01 119.74 118.12 3bpr s LYS 820 Ca 0.54 0.65 -0.31 0.00 0.02 0.00 0.00 55.97 56.86 3bpr s LYS 820 Cb -0.46 -2.24 -0.08 0.00 -0.52 0.00 0.00 37.83 34.53 3bpr s LYS 820 CO 0.61 -0.25 1.50 -1.14 -0.92 0.00 0.00 175.35 175.16 3bpr s GLN 821 N -4.33 4.26 0.96 1.68 0.74 -1.26 -5.01 119.66 116.69 3bpr s GLN 821 Ca 0.54 2.19 -0.11 0.00 0.05 0.00 0.00 55.36 58.03 3bpr s GLN 821 Cb -0.10 -3.37 0.14 0.00 1.10 0.00 0.00 33.01 30.77 3bpr s GLN 821 CO 0.38 -0.58 0.96 -2.30 -0.55 0.00 0.00 175.29 173.20 3bpr n PRO 822 N 4.63 -0.66 0.09 1.67 -0.02 -1.26 -4.98 135.00 134.47 3bpr n PRO 822 Ca 0.13 -0.13 -0.05 0.00 -2.02 0.00 0.00 63.50 61.43 3bpr n PRO 822 Cb 0.41 -2.24 -0.03 0.00 -0.02 0.00 0.00 33.50 31.63 3bpr n PRO 822 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3bpr h GLU 823 N -1.92 -0.29 -0.81 -0.52 4.57 -1.95 -3.16 114.58 110.50 3bpr h GLU 823 Ca -0.45 0.02 -0.51 0.00 -1.18 0.00 0.00 59.36 57.24 3bpr h GLU 823 Cb 1.28 0.07 -0.28 0.00 -0.16 0.00 0.00 28.75 29.66 3bpr h GLU 823 CO 0.40 -0.19 0.32 -0.25 -1.18 0.00 0.00 179.01 178.11 3bpr n ASP 824 N -3.22 5.15 -4.74 1.04 10.43 -1.26 -4.98 116.55 118.97 3bpr n ASP 824 Ca -0.04 -3.74 -0.40 0.00 2.57 0.00 0.00 54.79 53.18 3bpr n ASP 824 Cb 0.14 -0.76 -0.05 0.00 1.84 0.00 0.00 41.12 42.29 3bpr n ASP 824 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3bpr n LEU 826 N 2.95 3.37 -0.33 0.00 4.77 -1.26 -4.87 117.00 121.63 3bpr n LEU 826 Ca -0.02 1.08 0.21 0.00 -0.03 0.00 0.00 56.01 57.26 3bpr n LEU 826 Cb 0.50 -1.47 0.43 0.00 -2.33 0.00 0.00 43.42 40.56 3bpr n LEU 826 CO 0.48 -0.16 1.08 0.44 -1.33 0.00 0.00 177.39 177.90 3bpr h ASP 827 N 6.06 0.41 -0.19 -1.43 5.19 -1.98 0.85 116.42 125.33 3bpr h ASP 827 Ca -0.44 0.19 0.05 0.00 -0.62 0.00 0.00 57.03 56.20 3bpr h ASP 827 Cb 1.24 0.16 -0.05 0.00 0.18 0.00 0.00 39.33 40.86 3bpr h ASP 827 CO 0.90 -0.13 -0.10 -0.33 -3.12 0.00 0.00 179.24 176.46 3bpr h GLU 828 N 0.31 -0.08 -0.58 3.56 3.07 -1.99 0.64 114.58 119.50 3bpr h GLU 828 Ca 0.69 0.01 -0.05 0.00 -0.50 0.00 0.00 59.36 59.51 3bpr h GLU 828 Cb 1.54 0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 29.44 3bpr h GLU 828 CO -0.61 -0.05 0.15 1.25 -1.40 0.00 0.00 179.01 178.34 3bpr h LEU 829 N -0.09 0.83 -0.41 1.33 5.85 -1.25 -1.85 115.31 119.73 3bpr h LEU 829 Ca 0.11 -0.15 -0.15 0.00 0.84 0.00 0.00 57.88 58.53 3bpr h LEU 829 Cb 0.25 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 3bpr h LEU 829 CO -0.25 0.81 -0.32 0.22 -0.34 0.00 0.00 178.44 178.56 3bpr h TYR 830 N 0.86 1.11 -0.80 1.25 3.20 -0.21 -2.40 116.97 119.99 3bpr h TYR 830 Ca 0.19 -0.31 0.08 0.00 3.14 0.00 0.00 58.73 61.83 3bpr h TYR 830 Cb 0.29 -0.24 -0.07 0.00 1.54 0.00 0.00 36.73 38.25 3bpr h TYR 830 CO 0.02 1.14 0.46 0.93 -1.64 0.00 0.00 178.16 179.07 3bpr h GLU 831 N 0.77 0.78 -0.26 1.82 5.08 0.69 -0.86 114.58 122.59 3bpr h GLU 831 Ca 0.08 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 3bpr h GLU 831 Cb 0.91 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 3bpr h GLU 831 CO 0.08 0.51 0.08 0.82 -1.00 0.00 0.00 179.01 179.51 3bpr h ILE 832 N 0.80 1.20 -0.20 3.13 2.04 -1.15 -1.39 117.51 121.94 3bpr h ILE 832 Ca 0.37 -0.64 -0.10 0.00 1.00 0.00 0.00 64.86 65.50 3bpr h ILE 832 Cb 0.30 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 3bpr h ILE 832 CO -0.22 0.21 -0.31 0.00 0.00 0.00 0.00 178.15 177.83 3bpr h MET 833 N 0.25 0.39 -0.35 2.37 -0.00 -1.02 -3.07 114.93 113.50 3bpr h MET 833 Ca 0.08 -0.16 -0.11 0.00 -0.00 0.00 0.00 59.70 59.51 3bpr h MET 833 Cb 0.25 -0.02 -0.01 0.00 -0.00 0.00 0.00 31.60 31.81 3bpr h MET 833 CO -0.00 0.66 -0.23 -0.92 -0.00 0.00 0.00 176.91 176.41 3bpr h TYR 834 N 0.34 0.79 0.00 -0.10 3.20 -0.83 -1.91 116.97 118.46 3bpr h TYR 834 Ca 0.04 -0.18 -0.00 0.00 3.14 0.00 0.00 58.73 61.73 3bpr h TYR 834 Cb 0.71 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.79 3bpr h TYR 834 CO 0.02 0.87 -0.02 0.66 -1.64 0.00 0.00 178.16 178.05 3bpr h SER 835 N 0.61 0.00 0.55 -2.11 4.64 -1.16 -0.75 113.55 115.33 3bpr h SER 835 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 3bpr h SER 835 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 3bpr h SER 835 CO 0.06 0.02 0.00 0.00 -0.87 0.00 0.00 176.83 176.04 3bpr n TRP 837 N -2.82 0.05 -2.13 0.00 8.01 -0.29 -3.94 117.44 116.32 3bpr n TRP 837 Ca -0.00 -1.49 -0.37 0.00 -1.31 0.00 0.00 57.50 54.33 3bpr n TRP 837 Cb 0.19 -0.26 0.01 0.00 -2.01 0.00 0.00 31.31 29.24 3bpr n TRP 837 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.69 177.71 3bpr s ARG 838 N -3.23 3.44 0.13 -0.99 0.52 -1.20 -4.94 118.95 112.67 3bpr s ARG 838 Ca 0.38 1.84 -0.16 0.00 -0.52 0.00 0.00 55.73 57.27 3bpr s ARG 838 Cb 0.37 -2.22 -0.01 0.00 0.52 0.00 0.00 34.95 33.61 3bpr s ARG 838 CO -0.07 -0.84 1.66 1.15 0.02 0.00 0.00 175.30 177.23 3bpr h THR 839 N 1.50 1.20 -3.25 0.02 2.02 -1.96 -3.40 112.91 109.05 3bpr h THR 839 Ca -0.50 -0.65 -0.57 0.00 0.77 0.00 0.00 66.41 65.46 3bpr h THR 839 Cb 1.27 0.90 -0.05 0.00 -1.74 0.00 0.00 68.15 68.53 3bpr h THR 839 CO 0.58 0.23 0.55 -0.62 0.37 0.00 0.00 175.52 176.63 3bpr s ASP 840 N -5.88 7.14 0.36 4.18 2.15 -1.26 -4.88 116.67 118.47 3bpr s ASP 840 Ca -0.13 1.40 0.13 0.00 0.43 0.00 0.00 52.55 54.38 3bpr s ASP 840 Cb 0.10 -2.52 0.94 0.00 -0.30 0.00 0.00 42.92 41.14 3bpr s ASP 840 CO 0.75 -0.46 1.78 1.55 -0.17 0.00 0.00 175.17 178.62 3bpr h PRO 841 N 7.21 0.54 -0.26 4.34 0.13 -1.98 -1.96 132.00 140.02 3bpr h PRO 841 Ca -0.29 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 64.78 3bpr h PRO 841 Cb 1.13 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.12 3bpr h PRO 841 CO 0.87 0.35 0.04 -0.07 -0.23 0.00 0.00 178.00 178.97 3bpr h LEU 842 N 0.55 0.33 -0.81 1.56 3.38 -1.93 -2.08 115.31 116.31 3bpr h LEU 842 Ca 0.58 -0.04 -0.13 0.00 0.09 0.00 0.00 57.88 58.39 3bpr h LEU 842 Cb 1.21 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 3bpr h LEU 842 CO -0.34 0.36 -0.58 0.44 0.09 0.00 0.00 178.44 178.41 3bpr h ASP 843 N 0.36 0.04 -3.61 -0.43 3.45 -1.73 -3.45 116.42 111.05 3bpr h ASP 843 Ca 0.09 -0.02 -0.55 0.00 0.43 0.00 0.00 57.03 56.98 3bpr h ASP 843 Cb 0.17 -0.01 0.11 0.00 -0.56 0.00 0.00 39.33 39.04 3bpr h ASP 843 CO -0.00 0.61 0.69 0.54 -1.57 0.00 0.00 179.24 179.52 3bpr n ARG 844 N -3.85 2.48 -0.87 3.56 1.74 -0.78 -5.00 116.66 113.94 3bpr n ARG 844 Ca -0.01 0.87 -0.28 0.00 -0.77 0.00 0.00 57.85 57.65 3bpr n ARG 844 Cb 0.59 -2.56 0.21 0.00 -1.02 0.00 0.00 32.46 29.68 3bpr n ARG 844 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3bpr s PRO 845 N -1.80 -0.23 0.44 5.56 0.04 -1.26 -5.05 135.00 132.70 3bpr s PRO 845 Ca 0.56 0.67 0.00 0.00 0.04 0.00 0.00 61.00 62.27 3bpr s PRO 845 Cb -0.51 -1.65 -0.01 0.00 0.04 0.00 0.00 34.50 32.37 3bpr s PRO 845 CO 0.61 -3.22 0.67 0.95 0.04 0.00 0.00 177.00 176.05 3bpr s THR 846 N -2.72 4.12 0.31 1.26 -4.23 -1.26 -4.95 115.64 108.17 3bpr s THR 846 Ca 0.67 -0.46 0.02 0.00 -1.18 0.00 0.00 61.69 60.73 3bpr s THR 846 Cb -0.22 -3.53 0.28 0.00 1.34 0.00 0.00 72.50 70.38 3bpr s THR 846 CO 0.61 -0.38 1.91 -0.26 -0.54 0.00 0.00 174.62 175.96 3bpr h PHE 847 N 0.41 1.02 -0.01 3.99 0.04 -1.94 0.02 116.94 120.47 3bpr h PHE 847 Ca -0.46 0.03 -0.12 0.00 2.80 0.00 0.00 57.97 60.21 3bpr h PHE 847 Cb 1.25 -0.33 -0.02 0.00 2.20 0.00 0.00 35.95 39.05 3bpr h PHE 847 CO 0.46 0.52 -0.57 0.66 -0.60 0.00 0.00 178.31 178.78 3bpr h SER 848 N 0.99 0.03 -0.36 2.17 4.64 -1.91 0.17 113.55 119.27 3bpr h SER 848 Ca 0.39 -0.02 -0.11 0.00 -0.47 0.00 0.00 61.79 61.58 3bpr h SER 848 Cb 0.25 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.32 3bpr h SER 848 CO -0.15 0.59 -0.19 0.58 -0.87 0.00 0.00 176.83 176.79 3bpr h VAL 849 N 0.02 1.27 -0.02 0.95 2.07 -1.74 -3.12 116.25 115.67 3bpr h VAL 849 Ca -0.01 -1.31 -0.01 0.00 0.82 0.00 0.00 66.70 66.20 3bpr h VAL 849 Cb 1.01 1.14 -0.00 0.00 -1.52 0.00 0.00 31.29 31.91 3bpr h VAL 849 CO 0.07 0.44 -0.03 -0.07 0.02 0.00 0.00 177.57 178.01 3bpr h LEU 850 N 0.74 0.06 -0.86 2.57 3.38 -0.66 -3.12 115.31 117.42 3bpr h LEU 850 Ca 0.11 -0.53 0.12 0.00 0.09 0.00 0.00 57.88 57.67 3bpr h LEU 850 Cb 0.71 -0.02 -0.08 0.00 0.09 0.00 0.00 40.66 41.37 3bpr h LEU 850 CO 0.05 0.57 0.48 -0.09 0.09 0.00 0.00 178.44 179.55 3bpr h ARG 851 N -0.46 0.74 -0.12 1.13 1.12 -0.73 -0.33 114.38 115.73 3bpr h ARG 851 Ca 0.00 -0.04 -0.13 0.00 -1.11 0.00 0.00 59.98 58.69 3bpr h ARG 851 Cb 0.56 -0.17 -0.01 0.00 -0.01 0.00 0.00 29.97 30.34 3bpr h ARG 851 CO 0.01 0.49 -0.51 1.25 -3.11 0.00 0.00 179.97 178.10 3bpr h LEU 852 N 0.76 0.35 -0.56 3.80 5.85 -1.58 -2.12 115.31 121.81 3bpr h LEU 852 Ca 0.43 -0.18 -0.06 0.00 0.84 0.00 0.00 57.88 58.92 3bpr h LEU 852 Cb 0.48 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 3bpr h LEU 852 CO -0.29 0.80 0.11 1.56 -0.34 0.00 0.00 178.44 180.29 3bpr h GLN 853 N 0.25 0.91 -0.51 1.25 4.20 -1.01 -1.50 115.11 118.70 3bpr h GLN 853 Ca 0.01 -0.23 -0.08 0.00 0.06 0.00 0.00 58.65 58.40 3bpr h GLN 853 Cb 0.99 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.64 3bpr h GLN 853 CO 0.08 0.87 -0.01 -0.07 -0.67 0.00 0.00 178.83 179.03 3bpr h LEU 854 N 0.81 0.90 -0.56 1.46 3.38 -1.29 -1.71 115.31 118.30 3bpr h LEU 854 Ca 0.17 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 3bpr h LEU 854 Cb 0.38 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 3bpr h LEU 854 CO 0.01 0.99 0.25 -0.33 0.09 0.00 0.00 178.44 179.45 3bpr h GLU 855 N 0.78 0.81 -0.09 1.13 5.08 -1.18 -0.28 114.58 120.83 3bpr h GLU 855 Ca 0.14 -0.13 -0.12 0.00 -1.00 0.00 0.00 59.36 58.26 3bpr h GLU 855 Cb 0.54 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 3bpr h GLU 855 CO 0.03 0.68 -0.47 0.87 -1.00 0.00 0.00 179.01 179.12 3bpr h LYS 856 N 0.76 0.22 -0.32 2.33 1.57 -1.22 -2.10 116.57 117.81 3bpr h LYS 856 Ca 0.19 -0.12 -0.16 0.00 -1.87 0.00 0.00 60.65 58.69 3bpr h LYS 856 Cb 0.15 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.46 3bpr h LYS 856 CO -0.02 0.65 -0.42 1.25 -0.57 0.00 0.00 179.45 180.34 3bpr h LEU 857 N 0.18 0.93 -0.81 2.94 5.85 -0.95 -2.24 115.31 121.21 3bpr h LEU 857 Ca 0.01 -0.50 0.01 0.00 0.84 0.00 0.00 57.88 58.24 3bpr h LEU 857 Cb 0.90 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.63 3bpr h LEU 857 CO 0.07 1.24 0.54 0.25 -0.34 0.00 0.00 178.44 180.20 3bpr h LEU 858 N 0.65 0.93 -0.77 2.25 5.85 -0.85 -1.03 115.31 122.34 3bpr h LEU 858 Ca 0.04 -0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.80 3bpr h LEU 858 Cb 1.02 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 41.76 3bpr h LEU 858 CO 0.10 0.67 0.45 -0.33 -0.34 0.00 0.00 178.44 178.99 3bpr h GLU 859 N 1.09 0.79 0.00 1.25 5.08 -1.27 -2.95 114.58 118.57 3bpr h GLU 859 Ca 0.30 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.60 3bpr h GLU 859 Cb -0.12 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 28.95 3bpr h GLU 859 CO -0.07 0.52 -0.07 0.66 -1.00 0.00 0.00 179.01 179.05 3bpr h SER 860 N 0.81 0.00 -4.00 1.42 4.64 -0.57 -3.43 113.55 112.43 3bpr h SER 860 Ca 0.35 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 61.19 3bpr h SER 860 Cb 0.22 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.32 3bpr h SER 860 CO -0.19 0.07 0.40 -0.76 -0.87 0.00 0.00 176.83 175.48 3bpr s LEU 861 N -7.71 4.05 1.11 5.97 1.43 -1.10 -5.04 118.68 117.39 3bpr s LEU 861 Ca -0.04 2.00 -0.13 0.00 -1.03 0.00 0.00 54.13 54.93 3bpr s LEU 861 Cb 0.14 -4.31 0.24 0.00 0.03 0.00 0.00 46.19 42.30 3bpr s LEU 861 CO 0.59 -0.57 0.95 -2.65 0.23 0.00 0.00 176.35 174.89 3bpr n PRO 862 N -0.35 -1.89 0.00 1.29 -0.02 -1.26 -5.02 135.00 127.75 3bpr n PRO 862 Ca 0.06 -0.51 0.15 0.00 -2.02 0.00 0.00 63.50 61.18 3bpr n PRO 862 Cb 0.51 -2.17 0.77 0.00 -0.02 0.00 0.00 33.50 32.58 3bpr n PRO 862 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01