#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p0c h LYS 576 N 0.00 0.34 -2.26 3.52 1.79 -2.06 -3.25 116.57 114.65 2p0c h LYS 576 Ca 0.00 -0.29 -0.46 0.00 -2.18 0.00 0.00 60.65 57.72 2p0c h LYS 576 Cb 0.00 0.07 -0.10 0.00 -1.58 0.00 0.00 32.23 30.62 2p0c h LYS 576 CO 0.00 0.95 1.01 1.47 -1.08 0.00 0.00 179.45 181.79 2p0c n LEU 577 N -3.80 6.67 0.00 2.94 -0.00 -1.26 -3.56 117.00 117.99 2p0c n LEU 577 Ca -0.04 -3.93 0.00 0.00 -0.00 0.00 0.00 56.01 52.04 2p0c n LEU 577 Cb 0.72 -1.37 0.00 0.00 -0.00 0.00 0.00 43.42 42.77 2p0c n LEU 577 CO 0.48 1.83 0.13 -1.84 -0.00 0.00 0.00 177.39 177.99 2p0c n GLU 578 N 2.03 0.07 0.16 1.47 0.00 -1.23 -4.71 120.64 118.43 2p0c n GLU 578 Ca 0.54 -0.28 0.13 0.00 0.00 0.00 0.00 57.16 57.55 2p0c n GLU 578 Cb 0.58 -0.56 0.49 0.00 0.00 0.00 0.00 31.44 31.94 2p0c n GLU 578 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.13 177.51 2p0c h ASP 579 N 0.00 0.00 1.64 -1.84 3.04 -1.82 -2.80 116.42 114.64 2p0c h ASP 579 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2p0c h ASP 579 Cb 0.63 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.92 2p0c h ASP 579 CO 0.00 0.00 -0.12 1.62 -2.04 0.00 0.00 179.24 178.70 2p0c h VAL 580 N 0.00 0.00 -3.50 4.15 3.04 -1.87 -3.46 116.25 114.61 2p0c h VAL 580 Ca 0.00 -0.76 -0.52 0.00 -1.01 0.00 0.00 66.70 64.41 2p0c h VAL 580 Cb 0.52 1.69 -0.01 0.00 -2.01 0.00 0.00 31.29 31.49 2p0c h VAL 580 CO 0.00 0.00 0.43 -0.69 -1.01 0.00 0.00 177.57 176.30 2p0c s VAL 581 N -3.18 4.26 -0.11 1.51 1.01 -1.06 0.19 120.40 123.02 2p0c s VAL 581 Ca 0.08 1.83 -0.00 0.00 0.00 0.00 0.00 61.98 63.88 2p0c s VAL 581 Cb 0.09 -4.17 -0.02 0.00 0.00 0.00 0.00 36.38 32.27 2p0c s VAL 581 CO 0.65 0.26 -0.09 -0.63 0.00 0.00 0.00 175.10 175.30 2p0c s ILE 582 N 0.16 3.48 -0.21 2.22 1.01 0.21 -4.83 121.20 123.24 2p0c s ILE 582 Ca 0.50 -0.53 -0.36 0.00 0.00 0.00 0.00 60.65 60.26 2p0c s ILE 582 Cb -0.26 -2.46 -0.12 0.00 0.01 0.00 0.00 42.46 39.63 2p0c s ILE 582 CO 0.31 0.54 1.94 -0.67 0.00 0.00 0.00 174.94 177.07 2p0c n ASP 583 N 3.00 2.82 -0.29 3.58 2.03 -1.26 -4.46 116.55 121.97 2p0c n ASP 583 Ca -0.18 0.83 0.20 0.00 0.52 0.00 0.00 54.79 56.16 2p0c n ASP 583 Cb 0.53 -1.29 0.49 0.00 -0.72 0.00 0.00 41.12 40.13 2p0c n ASP 583 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 2p0c h ARG 584 N 9.73 0.42 -0.12 -0.67 9.65 -1.94 -0.89 114.38 130.56 2p0c h ARG 584 Ca -0.42 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.43 2p0c h ARG 584 Cb 1.30 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 29.78 2p0c h ARG 584 CO 0.97 0.28 0.00 0.27 2.80 0.00 0.00 179.97 184.29 2p0c n ASN 585 N -4.58 0.74 -0.71 -3.80 2.04 -1.26 -1.62 115.26 106.08 2p0c n ASN 585 Ca 0.22 -1.84 0.12 0.00 -0.44 0.00 0.00 54.58 52.65 2p0c n ASN 585 Cb 0.77 -0.08 0.34 0.00 -2.53 0.00 0.00 39.78 38.29 2p0c n ASN 585 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 2p0c n LEU 586 N -0.17 2.16 -4.16 -4.53 4.77 -0.34 -4.91 117.00 109.82 2p0c n LEU 586 Ca 0.08 -0.82 -0.27 0.00 -0.03 0.00 0.00 56.01 54.97 2p0c n LEU 586 Cb 0.14 -0.08 -0.16 0.00 -2.33 0.00 0.00 43.42 40.99 2p0c n LEU 586 CO 0.06 0.41 -0.51 -0.22 -1.33 0.00 0.00 177.39 175.80 2p0c s LEU 587 N -1.77 1.94 -0.09 2.23 2.96 -0.64 -0.70 118.68 122.61 2p0c s LEU 587 Ca 0.34 -0.38 0.02 0.00 -0.22 0.00 0.00 54.13 53.89 2p0c s LEU 587 Cb 0.20 -1.05 0.01 0.00 0.50 0.00 0.00 46.19 45.86 2p0c s LEU 587 CO 0.30 0.17 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.73 2p0c s ILE 588 N 0.00 1.35 0.11 6.68 -1.09 -0.68 -4.99 121.20 122.58 2p0c s ILE 588 Ca -0.04 -0.57 -0.11 0.00 -2.23 0.00 0.00 60.65 57.71 2p0c s ILE 588 Cb -0.12 -1.24 -0.06 0.00 -1.58 0.00 0.00 42.46 39.46 2p0c s ILE 588 CO 0.02 0.41 0.45 -0.76 -1.23 0.00 0.00 174.94 173.84 2p0c s LEU 589 N 0.89 4.33 0.00 2.97 1.43 -1.26 -1.32 118.68 125.72 2p0c s LEU 589 Ca -0.09 0.87 0.00 0.00 -1.03 0.00 0.00 54.13 53.88 2p0c s LEU 589 Cb -0.15 -3.13 0.00 0.00 0.03 0.00 0.00 46.19 42.94 2p0c s LEU 589 CO 0.01 0.13 0.00 0.61 0.23 0.00 0.00 176.35 177.32 2p0c n GLY 590 N 0.76 3.02 3.79 -3.19 0.00 0.10 -4.96 105.19 104.70 2p0c n GLY 590 Ca -0.06 -0.46 -0.34 0.00 0.00 0.00 0.00 46.02 45.16 2p0c n GLY 590 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2p0c s LYS 591 N 4.28 3.47 -0.06 1.61 3.01 -1.26 -4.74 119.74 126.05 2p0c s LYS 591 Ca 0.00 1.43 -0.30 0.00 -1.01 0.00 0.00 55.97 56.09 2p0c s LYS 591 Cb 0.00 -2.04 -0.03 0.00 -1.01 0.00 0.00 37.83 34.75 2p0c s LYS 591 CO 0.00 -0.72 1.16 0.42 0.51 0.00 0.00 175.35 176.73 2p0c s ILE 592 N -2.02 4.34 -0.02 2.17 1.01 -1.26 -1.58 121.20 123.84 2p0c s ILE 592 Ca 0.69 1.66 0.05 0.00 0.00 0.00 0.00 60.65 63.04 2p0c s ILE 592 Cb -0.19 -4.07 -0.24 0.00 0.01 0.00 0.00 42.46 37.97 2p0c s ILE 592 CO 0.27 0.01 0.77 -0.07 0.00 0.00 0.00 174.94 175.92 2p0c h LEU 593 N 8.06 0.16 -7.00 2.97 3.38 -0.24 -3.48 115.31 119.17 2p0c h LEU 593 Ca -0.34 -0.27 0.06 0.00 0.09 0.00 0.00 57.88 57.41 2p0c h LEU 593 Cb 1.16 -0.05 -0.16 0.00 0.09 0.00 0.00 40.66 41.70 2p0c h LEU 593 CO 0.87 1.24 0.41 -0.83 0.09 0.00 0.00 178.44 180.21 2p0c s GLY 594 N -5.07 -0.49 -0.07 0.83 0.00 -1.05 -5.01 107.32 96.47 2p0c s GLY 594 Ca -0.07 1.05 -0.12 0.00 0.00 0.00 0.00 44.72 45.58 2p0c s GLY 594 CO 0.82 0.44 0.29 1.85 0.00 0.00 0.00 173.10 176.51 2p0c s GLU 595 N -2.83 0.49 0.01 2.90 2.12 -1.26 -0.21 118.70 119.92 2p0c s GLU 595 Ca 0.02 0.12 0.00 0.00 0.36 0.00 0.00 54.97 55.46 2p0c s GLU 595 Cb -0.01 0.22 0.00 0.00 0.26 0.00 0.00 34.13 34.60 2p0c s GLU 595 CO -0.07 -0.10 0.00 0.41 -0.54 0.00 0.00 175.26 174.96 2p0c n GLY 599 N 2.16 -0.22 3.26 -1.50 0.00 -1.26 -4.97 105.19 102.66 2p0c n GLY 599 Ca -0.17 -0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.72 2p0c n GLY 599 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2p0c s SER 600 N -0.02 -0.41 -0.08 1.61 0.15 -1.25 -5.03 113.70 108.66 2p0c s SER 600 Ca 0.00 0.78 0.04 0.00 0.70 0.00 0.00 55.95 57.46 2p0c s SER 600 Cb 0.00 0.75 0.00 0.00 -1.71 0.00 0.00 66.02 65.07 2p0c s SER 600 CO 0.00 -0.15 -0.19 0.54 1.20 0.00 0.00 173.24 174.64 2p0c s VAL 601 N 0.51 1.67 0.07 4.45 0.11 0.71 -1.45 120.40 126.46 2p0c s VAL 601 Ca -0.02 -0.80 0.06 0.00 -2.93 0.00 0.00 61.98 58.28 2p0c s VAL 601 Cb -0.04 -1.46 -0.03 0.00 -1.53 0.00 0.00 36.38 33.32 2p0c s VAL 601 CO -0.03 0.47 -0.16 -0.04 -3.33 0.00 0.00 175.10 172.02 2p0c s MET 602 N 0.40 0.91 0.38 1.54 -1.94 0.10 0.55 119.30 121.24 2p0c s MET 602 Ca -0.15 -0.97 -0.24 0.00 -1.71 0.00 0.00 55.69 52.62 2p0c s MET 602 Cb -0.16 -0.97 -0.09 0.00 2.01 0.00 0.00 34.83 35.62 2p0c s MET 602 CO 0.06 0.22 1.02 -1.83 -0.01 0.00 0.00 175.02 174.49 2p0c s GLU 603 N -1.68 4.26 0.32 2.03 4.04 -0.62 0.11 118.70 127.16 2p0c s GLU 603 Ca 0.00 1.46 -0.05 0.00 0.04 0.00 0.00 54.97 56.42 2p0c s GLU 603 Cb -0.10 -2.59 0.02 0.00 0.02 0.00 0.00 34.13 31.49 2p0c s GLU 603 CO 0.02 -0.04 0.51 0.41 -1.84 0.00 0.00 175.26 174.32 2p0c n GLY 604 N 0.34 1.87 3.15 -3.83 0.00 0.13 0.00 105.19 106.85 2p0c n GLY 604 Ca 0.04 -1.47 -0.26 0.00 0.00 0.00 0.00 46.02 44.33 2p0c n GLY 604 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2p0c s ASN 605 N -2.88 2.17 -0.17 1.61 0.01 -0.43 -0.80 114.94 114.44 2p0c s ASN 605 Ca 0.22 -0.35 0.01 0.00 -0.71 0.00 0.00 52.86 52.03 2p0c s ASN 605 Cb -0.02 -0.51 0.01 0.00 0.41 0.00 0.00 41.25 41.14 2p0c s ASN 605 CO 0.16 0.17 -0.19 -0.22 -1.51 0.00 0.00 177.10 175.51 2p0c s LEU 606 N -0.08 2.21 -0.17 0.60 2.96 0.32 -1.69 118.68 122.83 2p0c s LEU 606 Ca -0.01 -0.60 -0.29 0.00 -0.22 0.00 0.00 54.13 53.00 2p0c s LEU 606 Cb -0.10 -1.50 -0.01 0.00 0.50 0.00 0.00 46.19 45.08 2p0c s LEU 606 CO 0.01 0.02 1.24 -0.75 -1.32 0.00 0.00 176.35 175.56 2p0c s LYS 607 N 1.16 4.23 0.49 1.98 2.20 0.12 -0.93 119.74 128.99 2p0c s LYS 607 Ca 0.01 1.63 0.00 0.00 -0.36 0.00 0.00 55.97 57.26 2p0c s LYS 607 Cb -0.14 -3.75 0.01 0.00 -1.51 0.00 0.00 37.83 32.44 2p0c s LYS 607 CO -0.09 -0.70 0.72 -0.65 -0.36 0.00 0.00 175.35 174.27 2p0c s GLN 608 N 3.48 2.90 0.50 4.03 -0.21 0.11 -4.93 119.66 125.53 2p0c s GLN 608 Ca 0.54 -0.54 0.15 0.00 0.02 0.00 0.00 55.36 55.52 2p0c s GLN 608 Cb -0.21 -2.52 1.21 0.00 1.00 0.00 0.00 33.01 32.49 2p0c s GLN 608 CO 0.14 -0.43 2.14 1.49 -2.12 0.00 0.00 175.29 176.50 2p0c h GLU 609 N 0.26 0.08 -0.19 2.91 4.57 -1.96 -1.11 114.58 119.15 2p0c h GLU 609 Ca -0.45 -0.00 0.05 0.00 -1.18 0.00 0.00 59.36 57.78 2p0c h GLU 609 Cb 1.27 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.83 2p0c h GLU 609 CO 0.56 0.05 0.27 0.22 -1.18 0.00 0.00 179.01 178.94 2p0c h ASP 610 N 0.08 0.00 0.00 1.04 3.58 -2.02 -3.45 116.42 115.65 2p0c h ASP 610 Ca 0.02 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.47 2p0c h ASP 610 Cb -0.01 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.04 2p0c h ASP 610 CO -0.00 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.97 2p0c n GLY 611 N -1.36 1.97 3.93 -0.78 0.00 -0.42 -5.07 105.19 103.46 2p0c n GLY 611 Ca 0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 2p0c n GLY 611 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2p0c s THR 612 N -2.41 5.02 -0.08 2.61 -4.23 -1.26 -4.78 115.64 110.50 2p0c s THR 612 Ca 0.00 -0.16 -0.01 0.00 -1.18 0.00 0.00 61.69 60.35 2p0c s THR 612 Cb 0.00 -3.86 -0.03 0.00 1.34 0.00 0.00 72.50 69.95 2p0c s THR 612 CO 0.00 -0.68 -0.04 -0.44 -0.54 0.00 0.00 174.62 172.92 2p0c s SER 613 N -4.04 4.88 0.04 3.99 0.01 -1.26 0.06 113.70 117.38 2p0c s SER 613 Ca 0.43 0.03 0.08 0.00 1.31 0.00 0.00 55.95 57.80 2p0c s SER 613 Cb -0.10 -1.34 -0.03 0.00 0.21 0.00 0.00 66.02 64.76 2p0c s SER 613 CO 0.40 0.35 -0.21 -0.22 0.41 0.00 0.00 173.24 173.97 2p0c s LEU 614 N -0.74 2.46 0.05 2.44 2.96 -0.11 -4.93 118.68 120.81 2p0c s LEU 614 Ca 0.11 -0.48 -0.30 0.00 -0.22 0.00 0.00 54.13 53.24 2p0c s LEU 614 Cb -0.11 -1.44 -0.04 0.00 0.50 0.00 0.00 46.19 45.10 2p0c s LEU 614 CO 0.02 0.26 0.98 -0.75 -1.32 0.00 0.00 176.35 175.53 2p0c s LYS 615 N -1.38 4.62 0.11 1.98 2.47 -1.26 -0.52 119.74 125.76 2p0c s LYS 615 Ca 0.14 1.45 0.06 0.00 -1.56 0.00 0.00 55.97 56.05 2p0c s LYS 615 Cb -0.10 -3.42 -0.04 0.00 -1.46 0.00 0.00 37.83 32.81 2p0c s LYS 615 CO 0.04 0.06 -0.15 0.14 0.16 0.00 0.00 175.35 175.60 2p0c s VAL 616 N 0.57 1.38 -0.20 4.02 -7.23 0.02 -1.20 120.40 117.75 2p0c s VAL 616 Ca 0.50 -1.63 -0.12 0.00 -1.81 0.00 0.00 61.98 58.92 2p0c s VAL 616 Cb -0.22 -1.47 -0.05 0.00 0.56 0.00 0.00 36.38 35.20 2p0c s VAL 616 CO 0.29 -0.32 0.21 0.00 -0.31 0.00 0.00 175.10 174.97 2p0c s ALA 617 N -1.83 3.63 -0.20 1.32 0.00 -0.03 0.18 121.76 124.83 2p0c s ALA 617 Ca 0.07 -0.67 -0.03 0.00 0.00 0.00 0.00 51.96 51.33 2p0c s ALA 617 Cb -0.07 -2.33 -0.01 0.00 0.00 0.00 0.00 23.12 20.72 2p0c s ALA 617 CO 0.03 -0.01 -0.06 0.08 0.00 0.00 0.00 175.76 175.79 2p0c s VAL 618 N 0.70 3.31 -0.16 0.00 1.01 0.30 -1.49 120.40 124.06 2p0c s VAL 618 Ca 0.11 -0.53 -0.01 0.00 0.00 0.00 0.00 61.98 61.55 2p0c s VAL 618 Cb -0.13 -2.48 -0.01 0.00 0.00 0.00 0.00 36.38 33.77 2p0c s VAL 618 CO 0.02 0.45 -0.10 -0.75 0.00 0.00 0.00 175.10 174.73 2p0c s LYS 619 N 1.15 3.37 -0.01 2.72 2.20 -0.80 0.03 119.74 128.41 2p0c s LYS 619 Ca 0.02 -0.67 -0.11 0.00 -0.36 0.00 0.00 55.97 54.86 2p0c s LYS 619 Cb -0.14 -2.77 -0.05 0.00 -1.51 0.00 0.00 37.83 33.36 2p0c s LYS 619 CO -0.01 0.05 0.32 0.95 -0.36 0.00 0.00 175.35 176.30 2p0c s THR 620 N 0.78 5.19 0.00 3.43 -4.23 -0.53 -0.50 115.64 119.79 2p0c s THR 620 Ca -0.04 0.51 0.00 0.00 -1.18 0.00 0.00 61.69 60.98 2p0c s THR 620 Cb -0.15 -3.60 0.00 0.00 1.34 0.00 0.00 72.50 70.08 2p0c s THR 620 CO 0.01 0.49 0.00 1.15 -0.54 0.00 0.00 174.62 175.74 2p0c n MET 621 N 1.55 0.00 0.00 3.99 0.00 -0.65 -3.93 117.12 118.08 2p0c n MET 621 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.56 2p0c n MET 621 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.75 2p0c n MET 621 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 2p0c n GLU 633 N 0.00 0.00 -0.37 3.17 1.02 -1.26 -4.11 120.64 119.09 2p0c n GLU 633 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2p0c n GLU 633 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 2p0c n GLU 633 CO 0.00 0.00 0.00 1.97 1.18 0.00 0.00 177.13 180.28 2p0c n PHE 634 N 0.00 0.00 0.85 -0.32 -0.00 -1.26 -4.97 117.46 111.77 2p0c n PHE 634 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 57.45 57.58 2p0c n PHE 634 Cb 0.00 0.01 0.54 0.00 -0.00 0.00 0.00 39.48 40.03 2p0c n PHE 634 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 2p0c n LEU 635 N 0.00 0.20 -0.08 5.98 4.77 -1.26 -2.73 117.00 123.88 2p0c n LEU 635 Ca 0.00 0.52 -0.15 0.00 -0.03 0.00 0.00 56.01 56.35 2p0c n LEU 635 Cb 0.62 -0.46 -0.05 0.00 -2.33 0.00 0.00 43.42 41.21 2p0c n LEU 635 CO 0.00 -0.08 0.44 -1.28 -1.33 0.00 0.00 177.39 175.14 2p0c h SER 636 N 0.00 0.94 -0.05 -1.43 0.87 -1.93 0.25 113.55 112.20 2p0c h SER 636 Ca 0.00 -0.53 -0.01 0.00 -1.23 0.00 0.00 61.79 60.02 2p0c h SER 636 Cb 0.53 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 62.21 2p0c h SER 636 CO 0.00 1.29 0.01 -0.08 -0.53 0.00 0.00 176.83 177.52 2p0c h GLU 637 N 0.62 0.08 -0.93 2.24 4.81 -1.95 -1.37 114.58 118.07 2p0c h GLU 637 Ca 0.01 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.23 2p0c h GLU 637 Cb 1.12 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.45 2p0c h GLU 637 CO 0.12 0.32 0.62 0.00 -0.73 0.00 0.00 179.01 179.34 2p0c h ALA 638 N 0.75 1.19 -0.23 2.92 0.00 -1.56 0.96 119.26 123.29 2p0c h ALA 638 Ca 0.01 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 2p0c h ALA 638 Cb 0.28 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2p0c h ALA 638 CO 0.00 0.57 -0.18 0.00 0.00 0.00 0.00 179.25 179.64 2p0c h ALA 639 N 1.35 1.27 -0.20 0.00 0.00 -0.89 0.28 119.26 121.06 2p0c h ALA 639 Ca 0.34 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2p0c h ALA 639 Cb -0.13 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2p0c h ALA 639 CO -0.08 0.48 -0.07 0.00 0.00 0.00 0.00 179.25 179.58 2p0c h MET 641 N 0.12 0.38 0.00 0.00 2.86 -0.48 -1.50 114.93 116.31 2p0c h MET 641 Ca 0.05 -0.09 -0.03 0.00 -2.06 0.00 0.00 59.70 57.57 2p0c h MET 641 Cb 0.55 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.15 2p0c h MET 641 CO 0.03 0.47 -0.15 -0.22 1.06 0.00 0.00 176.91 178.10 2p0c h LYS 642 N 0.36 0.00 -0.00 1.72 3.64 -0.36 -2.14 116.57 119.79 2p0c h LYS 642 Ca 0.08 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2p0c h LYS 642 Cb 0.36 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 2p0c h LYS 642 CO 0.02 0.15 -0.13 -0.25 -2.27 0.00 0.00 179.45 176.96 2p0c n ASP 643 N -3.69 0.35 -4.56 4.20 8.00 -0.58 -4.78 116.55 115.49 2p0c n ASP 643 Ca -0.02 -0.30 -0.39 0.00 0.71 0.00 0.00 54.79 54.79 2p0c n ASP 643 Cb 0.26 -0.12 -0.03 0.00 -0.02 0.00 0.00 41.12 41.21 2p0c n ASP 643 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2p0c s PHE 644 N -2.65 1.77 -0.68 1.24 0.08 -0.80 -4.92 117.98 112.02 2p0c s PHE 644 Ca 0.24 0.68 -0.00 0.00 0.12 0.00 0.00 56.93 57.97 2p0c s PHE 644 Cb 0.20 -4.16 0.17 0.00 -0.57 0.00 0.00 43.02 38.66 2p0c s PHE 644 CO 0.51 -2.31 0.49 0.45 -0.10 0.00 0.00 175.22 174.26 2p0c s SER 645 N 7.33 5.17 -0.04 1.36 0.15 -1.26 -4.62 113.70 121.79 2p0c s SER 645 Ca 0.64 -3.21 -0.04 0.00 0.70 0.00 0.00 55.95 54.04 2p0c s SER 645 Cb -0.13 -1.80 0.01 0.00 -1.71 0.00 0.00 66.02 62.39 2p0c s SER 645 CO 0.21 -0.26 0.11 -2.28 1.20 0.00 0.00 173.24 172.23 2p0c s HIS 646 N -0.58 -0.12 0.55 3.44 5.04 -1.26 -5.05 115.29 117.31 2p0c s HIS 646 Ca 0.20 0.29 0.27 0.00 -1.54 0.00 0.00 55.06 54.28 2p0c s HIS 646 Cb -0.16 0.04 1.65 0.00 0.04 0.00 0.00 32.58 34.15 2p0c s HIS 646 CO -0.06 -0.07 2.20 -1.00 -2.34 0.00 0.00 174.74 173.47 2p0c h PRO 647 N 5.90 0.00 -0.58 2.88 0.13 -1.97 -2.06 132.00 136.30 2p0c h PRO 647 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 2p0c h PRO 647 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2p0c h PRO 647 CO 0.44 0.03 0.00 0.09 -0.23 0.00 0.00 178.00 178.32 2p0c n ASN 648 N -3.95 5.70 -3.86 1.44 4.13 -1.26 -4.63 115.26 112.83 2p0c n ASN 648 Ca -0.03 -2.91 -0.23 0.00 1.68 0.00 0.00 54.58 53.10 2p0c n ASN 648 Cb 0.11 -0.68 -0.17 0.00 -1.54 0.00 0.00 39.78 37.50 2p0c n ASN 648 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2p0c s VAL 649 N -2.72 0.60 0.39 2.41 1.01 -0.78 -1.01 120.40 120.31 2p0c s VAL 649 Ca 0.55 -0.08 -0.27 0.00 0.00 0.00 0.00 61.98 62.17 2p0c s VAL 649 Cb 0.41 -0.67 -0.10 0.00 0.00 0.00 0.00 36.38 36.03 2p0c s VAL 649 CO 0.16 0.27 1.39 -0.51 0.00 0.00 0.00 175.10 176.42 2p0c s ILE 650 N 1.43 2.32 -0.26 2.22 2.07 -0.53 -4.48 121.20 123.98 2p0c s ILE 650 Ca -0.03 0.31 -0.11 0.00 -1.41 0.00 0.00 60.65 59.41 2p0c s ILE 650 Cb -0.13 -3.19 -0.05 0.00 0.13 0.00 0.00 42.46 39.22 2p0c s ILE 650 CO -0.03 0.06 0.17 -0.60 -1.91 0.00 0.00 174.94 172.63 2p0c s ARG 651 N -2.16 4.01 0.15 3.50 3.52 -1.26 -4.97 118.95 121.74 2p0c s ARG 651 Ca 0.55 -0.30 -0.31 0.00 -0.13 0.00 0.00 55.73 55.54 2p0c s ARG 651 Cb -0.42 -3.58 -0.09 0.00 -1.56 0.00 0.00 34.95 29.30 2p0c s ARG 651 CO 0.56 -0.04 1.48 -1.17 -0.81 0.00 0.00 175.30 175.32 2p0c s LEU 652 N 1.35 4.37 -0.00 -0.88 0.20 -1.25 -4.22 118.68 118.25 2p0c s LEU 652 Ca 0.07 2.50 0.03 0.00 0.69 0.00 0.00 54.13 57.42 2p0c s LEU 652 Cb -0.15 -3.59 -0.25 0.00 -0.43 0.00 0.00 46.19 41.77 2p0c s LEU 652 CO 0.07 -0.74 0.83 -0.07 -0.29 0.00 0.00 176.35 176.15 2p0c h LEU 653 N 6.62 0.22 0.00 -0.68 3.38 -0.83 -3.40 115.31 120.62 2p0c h LEU 653 Ca -0.43 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.21 2p0c h LEU 653 Cb 1.21 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.89 2p0c h LEU 653 CO 0.88 1.29 0.00 0.61 0.09 0.00 0.00 178.44 181.31 2p0c n GLY 654 N 1.61 -0.69 3.28 0.83 0.00 -1.24 -5.01 105.19 103.97 2p0c n GLY 654 Ca -0.15 -1.29 -0.29 0.00 0.00 0.00 0.00 46.02 44.29 2p0c n GLY 654 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2p0c s VAL 655 N -2.00 1.86 0.01 1.61 -7.23 0.13 -1.65 120.40 113.13 2p0c s VAL 655 Ca 0.00 -1.12 0.03 0.00 -1.81 0.00 0.00 61.98 59.08 2p0c s VAL 655 Cb 0.00 -1.57 -0.03 0.00 0.56 0.00 0.00 36.38 35.33 2p0c s VAL 655 CO 0.00 0.43 -0.05 0.00 -0.31 0.00 0.00 175.10 175.17 2p0c s ILE 657 N -1.04 0.99 0.00 0.00 1.09 -1.26 0.96 121.20 121.93 2p0c s ILE 657 Ca 0.18 -2.00 0.00 0.00 -1.10 0.00 0.00 60.65 57.73 2p0c s ILE 657 Cb -0.11 -2.07 0.00 0.00 -1.06 0.00 0.00 42.46 39.22 2p0c s ILE 657 CO 0.09 0.00 0.00 -2.65 -0.10 0.00 0.00 174.94 172.28 2p0c n PRO 665 N -1.27 0.00 -3.35 2.79 -0.02 -1.26 -4.64 135.00 127.26 2p0c n PRO 665 Ca -0.20 0.00 -0.45 0.00 -2.02 0.00 0.00 63.50 60.84 2p0c n PRO 665 Cb 0.67 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 34.08 2p0c n PRO 665 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2p0c s LYS 666 N -2.57 3.00 0.28 -0.52 3.01 -1.26 -5.06 119.74 116.62 2p0c s LYS 666 Ca 0.00 -1.36 -0.29 0.00 -1.01 0.00 0.00 55.97 53.31 2p0c s LYS 666 Cb 0.00 -4.16 -0.09 0.00 -1.01 0.00 0.00 37.83 32.57 2p0c s LYS 666 CO 0.00 -1.11 1.05 -1.25 0.51 0.00 0.00 175.35 174.55 2p0c s PRO 667 N 1.76 4.65 -0.11 -1.68 0.04 -1.26 -4.93 135.00 133.47 2p0c s PRO 667 Ca 0.05 1.67 0.02 0.00 0.04 0.00 0.00 61.00 62.78 2p0c s PRO 667 Cb -0.25 -3.13 0.01 0.00 0.04 0.00 0.00 34.50 31.17 2p0c s PRO 667 CO 0.07 0.26 -0.15 -1.64 0.04 0.00 0.00 177.00 175.58 2p0c s MET 668 N -1.50 2.24 -0.19 4.56 -1.94 0.27 -1.63 119.30 121.11 2p0c s MET 668 Ca 0.45 -0.57 -0.12 0.00 -1.71 0.00 0.00 55.69 53.74 2p0c s MET 668 Cb -0.29 -1.91 -0.05 0.00 2.01 0.00 0.00 34.83 34.60 2p0c s MET 668 CO 0.37 -0.07 0.24 0.14 -0.01 0.00 0.00 175.02 175.69 2p0c s VAL 669 N 1.00 5.33 -0.26 -6.03 -7.23 0.35 -0.90 120.40 112.67 2p0c s VAL 669 Ca -0.06 0.41 -0.07 0.00 -1.81 0.00 0.00 61.98 60.45 2p0c s VAL 669 Cb -0.15 -3.58 -0.01 0.00 0.56 0.00 0.00 36.38 33.20 2p0c s VAL 669 CO -0.02 0.39 0.06 -0.63 -0.31 0.00 0.00 175.10 174.59 2p0c s ILE 670 N 0.59 4.10 0.13 -0.62 -1.09 -0.66 -1.90 121.20 121.75 2p0c s ILE 670 Ca 0.13 -0.37 0.09 0.00 -2.23 0.00 0.00 60.65 58.27 2p0c s ILE 670 Cb -0.13 -2.97 -0.04 0.00 -1.58 0.00 0.00 42.46 37.74 2p0c s ILE 670 CO 0.02 0.27 -0.21 -0.76 -1.23 0.00 0.00 174.94 173.03 2p0c s LEU 671 N 1.57 2.35 0.37 2.97 1.43 -0.55 -0.03 118.68 126.78 2p0c s LEU 671 Ca 0.05 -0.76 -0.28 0.00 -1.03 0.00 0.00 54.13 52.12 2p0c s LEU 671 Cb -0.16 -0.92 -0.11 0.00 0.03 0.00 0.00 46.19 45.03 2p0c s LEU 671 CO 0.02 0.05 1.43 -2.65 0.23 0.00 0.00 176.35 175.43 2p0c n PRO 672 N 0.78 2.50 -2.98 1.29 -0.02 -1.26 -0.85 135.00 134.46 2p0c n PRO 672 Ca -0.17 0.88 -0.41 0.00 -2.02 0.00 0.00 63.50 61.78 2p0c n PRO 672 Cb 0.55 -2.57 -0.05 0.00 -0.02 0.00 0.00 33.50 31.41 2p0c n PRO 672 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2p0c s PHE 673 N -1.11 3.44 -0.41 6.00 5.36 -0.34 -4.30 117.98 126.61 2p0c s PHE 673 Ca 0.54 1.16 -0.14 0.00 -0.96 0.00 0.00 56.93 57.53 2p0c s PHE 673 Cb -0.50 -2.92 0.02 0.00 -0.34 0.00 0.00 43.02 39.29 2p0c s PHE 673 CO 0.63 -0.16 0.29 -1.64 -1.46 0.00 0.00 175.22 172.88 2p0c s MET 674 N 1.83 2.95 0.49 10.12 -1.94 -1.26 -4.90 119.30 126.58 2p0c s MET 674 Ca 0.35 -1.05 0.27 0.00 -1.71 0.00 0.00 55.69 53.56 2p0c s MET 674 Cb -0.17 -3.95 1.22 0.00 2.01 0.00 0.00 34.83 33.94 2p0c s MET 674 CO 0.13 -0.76 1.95 1.57 -0.01 0.00 0.00 175.02 177.90 2p0c h LYS 675 N 8.61 0.00 -0.00 2.03 2.10 -1.95 -2.21 116.57 125.14 2p0c h LYS 675 Ca -0.27 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.38 2p0c h LYS 675 Cb 1.12 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.45 2p0c h LYS 675 CO 0.73 0.16 -0.12 0.66 -2.00 0.00 0.00 179.45 178.88 2p0c n TYR 676 N -3.43 0.00 -4.14 0.07 4.01 -1.26 -5.02 117.16 107.38 2p0c n TYR 676 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 2p0c n TYR 676 Cb 0.33 -0.27 0.00 0.00 -0.31 0.00 0.00 39.34 39.10 2p0c n TYR 676 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2p0c n GLY 677 N 1.35 -1.46 3.86 2.72 0.00 -0.83 -4.80 105.19 106.03 2p0c n GLY 677 Ca 0.12 -1.29 -0.31 0.00 0.00 0.00 0.00 46.02 44.54 2p0c n GLY 677 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2p0c s ASP 678 N -4.00 6.47 0.24 1.61 -4.77 -1.26 -1.45 116.67 113.51 2p0c s ASP 678 Ca 0.00 1.41 -0.03 0.00 -3.30 0.00 0.00 52.55 50.63 2p0c s ASP 678 Cb 0.00 -2.45 0.27 0.00 -1.09 0.00 0.00 42.92 39.65 2p0c s ASP 678 CO 0.00 -0.63 1.69 0.25 0.70 0.00 0.00 175.17 177.18 2p0c h LEU 679 N 0.58 0.74 0.02 2.11 5.85 -0.56 -2.95 115.31 121.10 2p0c h LEU 679 Ca -0.46 -0.23 0.02 0.00 0.84 0.00 0.00 57.88 58.05 2p0c h LEU 679 Cb 1.19 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.99 2p0c h LEU 679 CO 0.62 0.89 -0.17 -0.74 -0.34 0.00 0.00 178.44 178.70 2p0c h HIS 680 N 0.67 -0.45 -0.19 1.25 2.76 -1.68 -0.10 115.15 117.40 2p0c h HIS 680 Ca 0.11 0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.26 2p0c h HIS 680 Cb 0.62 0.20 -0.01 0.00 1.55 0.00 0.00 27.41 29.76 2p0c h HIS 680 CO 0.03 -0.25 -0.05 1.15 -1.30 0.00 0.00 177.93 177.51 2p0c h THR 681 N -0.30 1.15 -0.17 6.26 2.02 -1.88 -2.57 112.91 117.42 2p0c h THR 681 Ca 0.05 -0.61 -0.03 0.00 0.77 0.00 0.00 66.41 66.58 2p0c h THR 681 Cb 0.35 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 2p0c h THR 681 CO -0.15 0.20 -0.02 0.22 0.37 0.00 0.00 175.52 176.14 2p0c h TYR 682 N 0.27 0.34 -0.63 3.16 5.03 -1.22 -0.84 116.97 123.08 2p0c h TYR 682 Ca 0.06 -0.06 0.07 0.00 2.58 0.00 0.00 58.73 61.38 2p0c h TYR 682 Cb 0.27 -0.09 -0.06 0.00 1.55 0.00 0.00 36.73 38.40 2p0c h TYR 682 CO 0.00 0.54 0.31 -0.07 -1.32 0.00 0.00 178.16 177.63 2p0c h LEU 683 N 0.04 0.42 -0.33 2.82 3.38 -0.85 -1.72 115.31 119.07 2p0c h LEU 683 Ca 0.05 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 2p0c h LEU 683 Cb 0.42 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2p0c h LEU 683 CO 0.01 0.27 0.14 -0.07 0.09 0.00 0.00 178.44 178.88 2p0c h LEU 684 N 0.57 0.45 -1.73 1.67 3.38 -1.39 -3.02 115.31 115.23 2p0c h LEU 684 Ca 0.30 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 58.13 2p0c h LEU 684 Cb 0.25 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2p0c h LEU 684 CO -0.22 0.48 0.22 1.88 0.09 0.00 0.00 178.44 180.88 2p0c h TYR 685 N 0.38 0.35 0.00 1.13 0.99 -0.87 -1.81 116.97 117.14 2p0c h TYR 685 Ca 0.11 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.85 2p0c h TYR 685 Cb 0.17 -0.12 0.00 0.00 1.00 0.00 0.00 36.73 37.78 2p0c h TYR 685 CO -0.01 0.21 0.00 0.66 -0.00 0.00 0.00 178.16 179.02 2p0c h SER 686 N 0.37 0.00 -0.26 3.88 4.64 -1.18 -0.28 113.55 120.71 2p0c h SER 686 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 2p0c h SER 686 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 2p0c h SER 686 CO -0.03 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.47 2p0c n ARG 687 N -2.40 2.04 -4.28 4.77 1.74 -0.68 -4.06 116.66 113.79 2p0c n ARG 687 Ca 0.01 -1.57 -0.20 0.00 -0.77 0.00 0.00 57.85 55.31 2p0c n ARG 687 Cb 0.17 -1.44 -0.11 0.00 -1.02 0.00 0.00 32.46 30.06 2p0c n ARG 687 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2p0c s LEU 688 N -1.52 2.39 0.75 0.55 1.43 -0.12 -5.14 118.68 117.03 2p0c s LEU 688 Ca 0.34 -0.80 -0.11 0.00 -1.03 0.00 0.00 54.13 52.53 2p0c s LEU 688 Cb 0.19 -0.71 0.04 0.00 0.03 0.00 0.00 46.19 45.74 2p0c s LEU 688 CO 0.28 -0.06 1.10 -1.61 0.23 0.00 0.00 176.35 176.28 2p0c s GLU 689 N -2.52 2.37 0.00 1.70 0.41 -1.26 -3.33 118.70 116.07 2p0c s GLU 689 Ca 0.10 1.22 0.00 0.00 -0.41 0.00 0.00 54.97 55.88 2p0c s GLU 689 Cb -0.06 -1.91 0.00 0.00 -1.78 0.00 0.00 34.13 30.38 2p0c s GLU 689 CO 0.05 -1.56 0.00 0.25 -0.49 0.00 0.00 175.26 173.50 2p0c n THR 690 N -3.29 0.00 -1.19 3.63 -2.24 -1.26 -4.96 114.28 104.97 2p0c n THR 690 Ca 0.09 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.69 2p0c n THR 690 Cb 0.53 0.00 0.14 0.00 -2.10 0.00 0.00 70.33 68.90 2p0c n THR 690 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2p0c n GLY 691 N 0.00 -2.02 3.47 3.38 0.00 -1.21 -5.01 105.19 103.80 2p0c n GLY 691 Ca 0.00 -1.58 -0.32 0.00 0.00 0.00 0.00 46.02 44.11 2p0c n GLY 691 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2p0c n PRO 692 N -3.15 -0.37 -0.68 1.61 -0.04 -1.26 -4.90 135.00 126.22 2p0c n PRO 692 Ca 0.10 -0.06 -0.18 0.00 -0.04 0.00 0.00 63.50 63.32 2p0c n PRO 692 Cb 0.36 -1.98 0.15 0.00 -0.04 0.00 0.00 33.50 31.99 2p0c n PRO 692 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2p0c n LYS 693 N -2.32 -2.19 -1.89 0.54 0.00 -1.26 -4.26 118.16 106.77 2p0c n LYS 693 Ca 0.08 -1.08 -0.42 0.00 -0.00 0.00 0.00 58.31 56.89 2p0c n LYS 693 Cb 0.53 -0.98 -0.03 0.00 -0.00 0.00 0.00 35.03 34.56 2p0c n LYS 693 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 2p0c s HIS 694 N -2.25 2.96 -0.28 5.58 2.46 -1.26 -4.69 115.29 117.82 2p0c s HIS 694 Ca 0.43 0.72 -0.20 0.00 0.47 0.00 0.00 55.06 56.49 2p0c s HIS 694 Cb -0.04 -3.96 -0.02 0.00 -0.13 0.00 0.00 32.58 28.43 2p0c s HIS 694 CO 0.33 -3.39 0.60 0.42 -2.47 0.00 0.00 174.74 170.23 2p0c s ILE 695 N 0.61 4.98 0.66 0.89 1.01 -1.26 -5.05 121.20 123.04 2p0c s ILE 695 Ca 0.67 0.92 -0.15 0.00 0.00 0.00 0.00 60.65 62.08 2p0c s ILE 695 Cb -0.45 -3.95 0.00 0.00 0.01 0.00 0.00 42.46 38.08 2p0c s ILE 695 CO 0.38 -0.05 1.12 -2.16 0.00 0.00 0.00 174.94 174.23 2p0c s PRO 696 N 2.51 2.73 0.26 2.79 0.04 -1.26 -4.81 135.00 137.26 2p0c s PRO 696 Ca 0.24 1.45 -0.02 0.00 0.04 0.00 0.00 61.00 62.71 2p0c s PRO 696 Cb -0.15 -1.94 0.56 0.00 0.04 0.00 0.00 34.50 33.01 2p0c s PRO 696 CO 0.10 -1.31 1.67 1.25 0.04 0.00 0.00 177.00 178.74 2p0c h LEU 697 N 0.02 -0.02 -0.97 -3.56 5.85 -1.99 -0.34 115.31 114.30 2p0c h LEU 697 Ca -0.47 0.17 0.17 0.00 0.84 0.00 0.00 57.88 58.59 2p0c h LEU 697 Cb 1.25 0.24 -0.10 0.00 0.37 0.00 0.00 40.66 42.42 2p0c h LEU 697 CO 0.54 -0.09 0.57 1.56 -0.34 0.00 0.00 178.44 180.67 2p0c h GLN 698 N 0.24 0.75 -0.05 1.25 7.50 -1.97 0.14 115.11 122.97 2p0c h GLN 698 Ca 0.47 -0.05 -0.25 0.00 0.50 0.00 0.00 58.65 59.32 2p0c h GLN 698 Cb 0.87 -0.17 0.02 0.00 0.05 0.00 0.00 27.48 28.25 2p0c h GLN 698 CO -0.58 0.50 -0.97 1.15 -1.50 0.00 0.00 178.83 177.43 2p0c h THR 699 N 0.77 1.28 -0.55 -0.54 2.02 -1.44 -1.97 112.91 112.48 2p0c h THR 699 Ca 0.54 -2.16 0.00 0.00 0.77 0.00 0.00 66.41 65.56 2p0c h THR 699 Cb 0.77 2.26 -0.03 0.00 -1.74 0.00 0.00 68.15 69.41 2p0c h THR 699 CO -0.36 0.67 0.35 -0.07 0.37 0.00 0.00 175.52 176.48 2p0c h LEU 700 N 0.44 0.65 -0.82 2.58 3.38 -0.78 -1.39 115.31 119.36 2p0c h LEU 700 Ca -0.11 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 2p0c h LEU 700 Cb 1.61 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 42.16 2p0c h LEU 700 CO 0.19 0.49 0.45 -0.07 0.09 0.00 0.00 178.44 179.59 2p0c h LEU 701 N 0.74 1.03 -0.80 1.67 3.38 -0.75 -2.43 115.31 118.16 2p0c h LEU 701 Ca 0.20 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.09 2p0c h LEU 701 Cb -0.05 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.39 2p0c h LEU 701 CO -0.04 0.84 0.51 0.50 0.09 0.00 0.00 178.44 180.35 2p0c h LYS 702 N 1.15 0.99 -0.58 1.13 1.63 -0.92 0.12 116.57 120.08 2p0c h LYS 702 Ca 0.29 -0.06 0.08 0.00 -0.85 0.00 0.00 60.65 60.11 2p0c h LYS 702 Cb 0.04 -0.22 -0.06 0.00 -0.60 0.00 0.00 32.23 31.39 2p0c h LYS 702 CO -0.05 0.65 0.25 0.74 -3.45 0.00 0.00 179.45 177.59 2p0c h PHE 703 N 1.02 0.44 -0.40 1.91 0.04 -0.94 0.93 116.94 119.93 2p0c h PHE 703 Ca 0.31 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 61.08 2p0c h PHE 703 Cb -0.03 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 37.99 2p0c h PHE 703 CO -0.02 0.15 0.15 0.52 -0.60 0.00 0.00 178.31 178.51 2p0c h MET 704 N 0.45 0.61 -0.14 1.51 2.86 -0.81 -2.13 114.93 117.28 2p0c h MET 704 Ca 0.28 -0.12 0.02 0.00 -2.06 0.00 0.00 59.70 57.82 2p0c h MET 704 Cb 0.29 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 2p0c h MET 704 CO -0.25 0.59 0.00 0.28 1.06 0.00 0.00 176.91 178.59 2p0c h VAL 705 N 0.51 0.91 -0.68 -2.22 2.07 -0.34 0.21 116.25 116.71 2p0c h VAL 705 Ca 0.13 -0.02 0.15 0.00 0.82 0.00 0.00 66.70 67.78 2p0c h VAL 705 Cb 0.21 0.85 -0.11 0.00 -1.52 0.00 0.00 31.29 30.73 2p0c h VAL 705 CO -0.01 0.01 0.07 0.44 0.02 0.00 0.00 177.57 178.10 2p0c h ASP 706 N 0.05 -0.18 -0.06 0.57 3.32 -0.72 0.24 116.42 119.64 2p0c h ASP 706 Ca 0.06 0.16 -0.05 0.00 0.02 0.00 0.00 57.03 57.22 2p0c h ASP 706 Cb 0.07 0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.88 2p0c h ASP 706 CO -0.10 -0.09 -0.16 0.40 -1.72 0.00 0.00 179.24 177.56 2p0c h ILE 707 N 0.17 1.43 -0.45 0.35 2.04 -0.95 -1.58 117.51 118.52 2p0c h ILE 707 Ca 0.37 -1.52 0.09 0.00 1.00 0.00 0.00 64.86 64.81 2p0c h ILE 707 Cb 0.62 2.26 -0.09 0.00 -0.74 0.00 0.00 36.82 38.86 2p0c h ILE 707 CO -0.54 0.42 -0.16 0.00 0.00 0.00 0.00 178.15 177.88 2p0c h ALA 708 N 0.46 0.22 -0.41 1.87 0.00 -0.23 0.16 119.26 121.34 2p0c h ALA 708 Ca -0.00 0.17 0.04 0.00 0.00 0.00 0.00 54.91 55.12 2p0c h ALA 708 Cb 0.77 0.42 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 2p0c h ALA 708 CO 0.04 -0.50 0.18 -0.07 0.00 0.00 0.00 179.25 178.90 2p0c h LEU 709 N -0.06 0.25 -0.75 0.00 3.38 -0.48 0.27 115.31 117.92 2p0c h LEU 709 Ca 0.22 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.22 2p0c h LEU 709 Cb 0.39 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 2p0c h LEU 709 CO -0.50 0.18 0.48 1.23 0.09 0.00 0.00 178.44 179.93 2p0c h GLY 710 N 0.38 1.07 1.50 0.83 0.00 -0.66 -1.71 103.07 104.48 2p0c h GLY 710 Ca 0.18 -0.42 -0.14 0.00 0.00 0.00 0.00 47.33 46.96 2p0c h GLY 710 CO -0.15 0.41 -0.43 -0.33 0.00 0.00 0.00 176.54 176.04 2p0c h MET 711 N 1.02 0.55 -0.60 4.80 2.86 -0.16 -2.57 114.93 120.83 2p0c h MET 711 Ca 0.27 -0.29 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 2p0c h MET 711 Cb -0.09 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.56 2p0c h MET 711 CO -0.06 0.88 0.32 1.49 1.06 0.00 0.00 176.91 180.60 2p0c h GLU 712 N 0.45 0.83 -0.30 1.72 4.81 -0.30 0.21 114.58 122.01 2p0c h GLU 712 Ca 0.03 -0.10 0.05 0.00 -0.13 0.00 0.00 59.36 59.21 2p0c h GLU 712 Cb 0.93 -0.16 -0.05 0.00 0.63 0.00 0.00 28.75 30.10 2p0c h GLU 712 CO 0.08 0.64 0.01 -0.92 -0.73 0.00 0.00 179.01 178.09 2p0c h TYR 713 N 0.81 0.00 -0.38 0.92 3.20 -1.23 -0.81 116.97 119.47 2p0c h TYR 713 Ca 0.21 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.99 2p0c h TYR 713 Cb 0.06 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 2p0c h TYR 713 CO -0.01 -0.04 -0.22 -0.07 -1.64 0.00 0.00 178.16 176.18 2p0c h LEU 714 N 0.10 0.76 -0.32 2.82 3.38 -1.21 -3.11 115.31 117.74 2p0c h LEU 714 Ca 0.15 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 2p0c h LEU 714 Cb 0.19 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2p0c h LEU 714 CO -0.24 0.96 0.02 -1.28 0.09 0.00 0.00 178.44 177.99 2p0c h SER 715 N 0.66 0.53 0.00 -0.43 0.87 -0.68 -1.61 113.55 112.90 2p0c h SER 715 Ca 0.09 -0.29 0.00 0.00 -1.23 0.00 0.00 61.79 60.36 2p0c h SER 715 Cb 0.72 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.54 2p0c h SER 715 CO 0.06 0.69 0.13 0.78 -0.53 0.00 0.00 176.83 177.96 2p0c h ASN 716 N 0.36 0.00 -0.30 6.23 2.35 -1.09 0.24 115.58 123.37 2p0c h ASN 716 Ca 0.09 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 2p0c h ASN 716 Cb 0.41 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.78 2p0c h ASN 716 CO 0.01 0.00 0.00 0.54 -1.65 0.00 0.00 177.43 176.33 2p0c n ARG 717 N -2.55 2.88 -2.38 0.81 1.74 -0.76 -4.98 116.66 111.42 2p0c n ARG 717 Ca -0.02 -2.22 -0.15 0.00 -0.77 0.00 0.00 57.85 54.70 2p0c n ARG 717 Cb 0.17 -1.39 -0.01 0.00 -1.02 0.00 0.00 32.46 30.21 2p0c n ARG 717 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2p0c n ASN 718 N 0.19 -4.50 -4.55 0.55 3.02 0.86 -4.93 115.26 105.90 2p0c n ASN 718 Ca 0.13 0.14 -0.40 0.00 -0.03 0.00 0.00 54.58 54.42 2p0c n ASN 718 Cb 0.53 -3.81 -0.10 0.00 -0.61 0.00 0.00 39.78 35.79 2p0c n ASN 718 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2p0c s PHE 719 N -2.72 3.22 0.27 3.10 2.19 -0.68 -5.03 117.98 118.33 2p0c s PHE 719 Ca 0.00 -0.03 -0.29 0.00 0.33 0.00 0.00 56.93 56.94 2p0c s PHE 719 Cb 0.00 -2.56 -0.09 0.00 -1.31 0.00 0.00 43.02 39.06 2p0c s PHE 719 CO 0.00 -0.35 0.98 -0.51 1.83 0.00 0.00 175.22 177.17 2p0c s LEU 720 N 1.89 4.56 -0.12 6.12 1.02 -1.26 -4.37 118.68 126.53 2p0c s LEU 720 Ca 0.09 2.02 -0.04 0.00 0.02 0.00 0.00 54.13 56.22 2p0c s LEU 720 Cb -0.17 -3.69 -0.02 0.00 0.02 0.00 0.00 46.19 42.33 2p0c s LEU 720 CO 0.11 0.03 -0.04 -0.74 0.02 0.00 0.00 176.35 175.73 2p0c h HIS 721 N 3.86 0.00 0.00 0.29 2.76 -1.97 -3.38 115.15 116.72 2p0c h HIS 721 Ca -0.46 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.71 2p0c h HIS 721 Cb 1.20 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.16 2p0c h HIS 721 CO 0.60 0.04 0.00 0.54 -1.30 0.00 0.00 177.93 177.81 2p0c n ARG 722 N -4.72 -0.09 -2.58 5.26 1.74 -1.26 -3.82 116.66 111.18 2p0c n ARG 722 Ca -0.03 0.02 -0.02 0.00 -0.77 0.00 0.00 57.85 57.06 2p0c n ARG 722 Cb 0.10 -3.02 0.10 0.00 -1.02 0.00 0.00 32.46 28.62 2p0c n ARG 722 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2p0c n ASP 723 N -0.05 -0.85 -4.72 0.55 2.03 -1.26 -5.09 116.55 107.17 2p0c n ASP 723 Ca 0.00 -2.17 -0.42 0.00 0.52 0.00 0.00 54.79 52.72 2p0c n ASP 723 Cb 0.02 0.44 -0.03 0.00 -0.72 0.00 0.00 41.12 40.83 2p0c n ASP 723 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2p0c s LEU 724 N -3.77 4.40 0.00 -2.67 2.96 -1.26 -4.81 118.68 113.53 2p0c s LEU 724 Ca 0.12 1.88 -0.29 0.00 -0.22 0.00 0.00 54.13 55.62 2p0c s LEU 724 Cb 0.40 -3.58 0.10 0.00 0.50 0.00 0.00 46.19 43.61 2p0c s LEU 724 CO -0.11 -0.33 0.94 0.00 -1.32 0.00 0.00 176.35 175.54 2p0c s ALA 725 N 0.79 -1.83 0.44 5.97 0.00 -1.26 -4.81 121.76 121.06 2p0c s ALA 725 Ca 0.54 0.92 0.27 0.00 0.00 0.00 0.00 51.96 53.69 2p0c s ALA 725 Cb -0.26 0.40 1.48 0.00 0.00 0.00 0.00 23.12 24.74 2p0c s ALA 725 CO 0.30 -0.75 2.09 0.00 0.00 0.00 0.00 175.76 177.40 2p0c h ALA 726 N 2.00 1.33 0.00 0.00 0.00 -1.94 0.32 119.26 120.97 2p0c h ALA 726 Ca -0.21 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2p0c h ALA 726 Cb 1.23 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2p0c h ALA 726 CO 0.29 0.13 0.00 0.07 0.00 0.00 0.00 179.25 179.74 2p0c h ARG 727 N 0.00 0.00 -0.58 0.00 0.11 -1.95 -2.32 114.38 109.63 2p0c h ARG 727 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2p0c h ARG 727 Cb 0.29 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.37 2p0c h ARG 727 CO 0.01 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.17 2p0c n ASN 728 N -2.85 3.68 -4.57 0.08 3.02 0.08 -4.72 115.26 109.98 2p0c n ASN 728 Ca 0.02 -1.99 -0.35 0.00 -0.03 0.00 0.00 54.58 52.23 2p0c n ASN 728 Cb 0.34 -0.39 -0.11 0.00 -0.61 0.00 0.00 39.78 39.01 2p0c n ASN 728 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2p0c s MET 730 N 0.89 2.92 -0.26 0.00 -1.94 0.14 -0.29 119.30 120.77 2p0c s MET 730 Ca 0.04 -0.59 -0.15 0.00 -1.71 0.00 0.00 55.69 53.28 2p0c s MET 730 Cb -0.14 -2.76 -0.04 0.00 2.01 0.00 0.00 34.83 33.90 2p0c s MET 730 CO 0.03 0.61 0.37 -0.51 -0.01 0.00 0.00 175.02 175.50 2p0c s LEU 731 N -1.92 4.06 0.85 -0.03 1.43 -0.53 -0.46 118.68 122.08 2p0c s LEU 731 Ca 0.24 0.31 -0.12 0.00 -1.03 0.00 0.00 54.13 53.53 2p0c s LEU 731 Cb -0.12 -2.42 0.10 0.00 0.03 0.00 0.00 46.19 43.78 2p0c s LEU 731 CO 0.16 -0.16 1.10 -0.13 0.23 0.00 0.00 176.35 177.55 2p0c s ARG 732 N 1.92 1.61 0.56 1.70 0.52 0.02 -4.28 118.95 121.00 2p0c s ARG 732 Ca 0.15 0.67 0.25 0.00 -0.52 0.00 0.00 55.73 56.28 2p0c s ARG 732 Cb -0.16 -1.86 1.51 0.00 0.52 0.00 0.00 34.95 34.96 2p0c s ARG 732 CO 0.09 -1.96 2.09 -0.44 0.02 0.00 0.00 175.30 175.11 2p0c h ASP 733 N -1.34 0.00 -0.10 0.23 5.19 -1.97 0.13 116.42 118.57 2p0c h ASP 733 Ca -0.49 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.92 2p0c h ASP 733 Cb 1.28 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.79 2p0c h ASP 733 CO 0.58 0.00 0.00 -0.90 -3.12 0.00 0.00 179.24 175.80 2p0c n ASP 734 N -4.12 1.59 -0.22 6.45 5.68 -1.26 -4.94 116.55 119.73 2p0c n ASP 734 Ca 0.02 -1.61 -0.03 0.00 -0.50 0.00 0.00 54.79 52.67 2p0c n ASP 734 Cb 0.33 -0.06 -0.01 0.00 -1.14 0.00 0.00 41.12 40.24 2p0c n ASP 734 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 2p0c n MET 735 N 0.26 -0.49 -2.68 0.11 2.81 0.47 -5.03 117.12 112.56 2p0c n MET 735 Ca 0.17 0.42 -0.40 0.00 -1.81 0.00 0.00 57.70 56.08 2p0c n MET 735 Cb 0.34 -4.00 -0.06 0.00 -0.71 0.00 0.00 33.22 28.80 2p0c n MET 735 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 2p0c s THR 736 N -1.96 3.93 0.09 2.03 -4.23 -1.26 -4.78 115.64 109.47 2p0c s THR 736 Ca 0.00 1.91 -0.20 0.00 -1.18 0.00 0.00 61.69 62.22 2p0c s THR 736 Cb 0.00 -4.20 -0.07 0.00 1.34 0.00 0.00 72.50 69.57 2p0c s THR 736 CO 0.00 0.43 0.61 -0.69 -0.54 0.00 0.00 174.62 174.42 2p0c s VAL 737 N -1.22 4.67 -0.02 2.29 1.01 -1.26 -0.80 120.40 125.07 2p0c s VAL 737 Ca 0.43 1.29 0.04 0.00 0.00 0.00 0.00 61.98 63.75 2p0c s VAL 737 Cb -0.27 -3.93 -0.01 0.00 0.00 0.00 0.00 36.38 32.17 2p0c s VAL 737 CO 0.33 0.53 -0.15 0.00 0.00 0.00 0.00 175.10 175.82 2p0c s VAL 739 N -0.19 2.87 0.30 0.00 1.01 -0.18 0.28 120.40 124.49 2p0c s VAL 739 Ca 0.02 0.80 0.05 0.00 0.00 0.00 0.00 61.98 62.85 2p0c s VAL 739 Cb -0.08 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 2p0c s VAL 739 CO 0.00 0.16 0.26 0.00 0.00 0.00 0.00 175.10 175.52 2p0c s ALA 740 N -0.62 1.61 -1.62 5.51 0.00 -0.21 -1.45 121.76 124.98 2p0c s ALA 740 Ca 0.53 -1.94 0.00 0.00 0.00 0.00 0.00 51.96 50.54 2p0c s ALA 740 Cb -0.39 1.44 0.00 0.00 0.00 0.00 0.00 23.12 24.17 2p0c s ALA 740 CO 0.47 -0.66 0.00 -0.25 0.00 0.00 0.00 175.76 175.32 2p0c n ASP 741 N -1.22 -5.11 -4.90 0.00 9.92 -1.26 -4.78 116.55 109.21 2p0c n ASP 741 Ca 0.06 0.15 -0.29 0.00 -0.53 0.00 0.00 54.79 54.17 2p0c n ASP 741 Cb 0.63 -4.17 -0.03 0.00 -0.64 0.00 0.00 41.12 36.90 2p0c n ASP 741 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 2p0c s PHE 742 N -2.79 3.47 0.00 1.24 -0.12 -1.26 -4.44 117.98 114.08 2p0c s PHE 742 Ca 0.00 0.64 0.00 0.00 -0.05 0.00 0.00 56.93 57.52 2p0c s PHE 742 Cb 0.00 -2.09 0.00 0.00 -0.63 0.00 0.00 43.02 40.30 2p0c s PHE 742 CO 0.00 0.21 0.00 0.41 -0.05 0.00 0.00 175.22 175.79 2p0c n GLY 743 N -0.77 0.92 0.52 1.99 0.00 -1.25 -5.08 105.19 101.52 2p0c n GLY 743 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2p0c n GLY 743 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2p0c n LEU 744 N 0.00 -0.02 0.00 0.99 7.94 -1.26 -5.02 117.00 119.63 2p0c n LEU 744 Ca 0.00 0.04 0.00 0.00 -1.11 0.00 0.00 56.01 54.94 2p0c n LEU 744 Cb 0.00 -1.57 0.00 0.00 0.53 0.00 0.00 43.42 42.38 2p0c n LEU 744 CO 0.00 -0.06 0.00 -0.81 -1.11 0.00 0.00 177.39 175.41 2p0c n PRO 763 N -2.11 0.00 -0.30 1.96 -0.04 -1.26 -5.14 135.00 128.11 2p0c n PRO 763 Ca -0.00 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.58 2p0c n PRO 763 Cb 0.48 0.00 0.26 0.00 -0.04 0.00 0.00 33.50 34.20 2p0c n PRO 763 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2p0c h VAL 764 N 0.00 0.22 0.00 0.52 2.07 -1.96 -1.16 116.25 115.94 2p0c h VAL 764 Ca 0.00 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.48 2p0c h VAL 764 Cb 0.00 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 29.87 2p0c h VAL 764 CO 0.00 0.02 0.00 0.29 0.02 0.00 0.00 177.57 177.90 2p0c n LYS 765 N -5.34 0.37 -0.00 1.57 5.02 -1.26 -1.55 118.16 116.96 2p0c n LYS 765 Ca 0.20 0.07 0.07 0.00 -2.02 0.00 0.00 58.31 56.64 2p0c n LYS 765 Cb 0.66 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 34.09 2p0c n LYS 765 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 2p0c n TRP 766 N -1.16 0.00 -2.88 2.13 8.01 -0.44 -4.97 117.44 118.12 2p0c n TRP 766 Ca 0.10 0.00 -0.41 0.00 -1.31 0.00 0.00 57.50 55.88 2p0c n TRP 766 Cb 0.10 -0.03 -0.04 0.00 -2.01 0.00 0.00 31.31 29.33 2p0c n TRP 766 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.69 177.10 2p0c s ILE 767 N -2.45 4.91 0.70 -0.99 1.01 -0.60 -3.94 121.20 119.83 2p0c s ILE 767 Ca 0.05 1.68 -0.17 0.00 0.00 0.00 0.00 60.65 62.21 2p0c s ILE 767 Cb 0.11 -4.15 0.02 0.00 0.01 0.00 0.00 42.46 38.44 2p0c s ILE 767 CO 0.61 0.09 1.27 0.00 0.00 0.00 0.00 174.94 176.91 2p0c s ALA 768 N 1.71 2.21 0.19 9.38 0.00 -1.26 -4.71 121.76 129.29 2p0c s ALA 768 Ca 0.41 1.12 -0.12 0.00 0.00 0.00 0.00 51.96 53.37 2p0c s ALA 768 Cb -0.17 -3.54 0.22 0.00 0.00 0.00 0.00 23.12 19.63 2p0c s ALA 768 CO 0.16 -1.82 1.70 -0.84 0.00 0.00 0.00 175.76 174.96 2p0c h ILE 769 N 0.12 0.65 -0.21 0.00 -0.00 -1.96 0.10 117.51 116.22 2p0c h ILE 769 Ca -0.50 -0.07 -0.07 0.00 -0.00 0.00 0.00 64.86 64.23 2p0c h ILE 769 Cb 1.33 0.44 -0.01 0.00 -0.00 0.00 0.00 36.82 38.57 2p0c h ILE 769 CO 0.51 0.04 -0.17 1.05 -0.00 0.00 0.00 178.15 179.57 2p0c h GLU 770 N 0.20 0.37 -0.10 0.16 9.09 -1.92 -2.15 114.58 120.23 2p0c h GLU 770 Ca 0.27 -0.11 -0.18 0.00 0.05 0.00 0.00 59.36 59.40 2p0c h GLU 770 Cb 0.39 -0.04 -0.01 0.00 -1.65 0.00 0.00 28.75 27.45 2p0c h GLU 770 CO -0.38 0.53 -0.68 0.77 0.05 0.00 0.00 179.01 179.30 2p0c h SER 771 N 0.34 0.50 -0.09 3.06 0.02 -1.36 -2.18 113.55 113.85 2p0c h SER 771 Ca 0.06 -0.31 -0.02 0.00 -0.84 0.00 0.00 61.79 60.68 2p0c h SER 771 Cb 0.50 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 2p0c h SER 771 CO 0.03 1.04 0.01 -0.07 -1.14 0.00 0.00 176.83 176.70 2p0c h LEU 772 N 0.30 0.20 0.07 5.07 4.07 -0.23 -0.27 115.31 124.52 2p0c h LEU 772 Ca -0.02 -0.02 -0.34 0.00 0.08 0.00 0.00 57.88 57.58 2p0c h LEU 772 Cb 1.25 -0.05 -0.03 0.00 1.08 0.00 0.00 40.66 42.90 2p0c h LEU 772 CO 0.12 0.24 -1.95 0.00 -1.08 0.00 0.00 178.44 175.77 2p0c n ALA 773 N -2.50 1.16 -0.36 1.53 0.00 -0.91 -4.68 120.51 114.75 2p0c n ALA 773 Ca -0.01 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.72 2p0c n ALA 773 Cb 0.16 -0.68 0.00 0.00 0.00 0.00 0.00 19.45 18.92 2p0c n ALA 773 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2p0c n ASP 774 N -3.28 0.65 0.00 0.00 8.00 -0.82 -5.00 116.55 116.10 2p0c n ASP 774 Ca -0.28 -1.01 0.00 0.00 0.71 0.00 0.00 54.79 54.21 2p0c n ASP 774 Cb 1.05 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.15 2p0c n ASP 774 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 2p0c n ARG 775 N -0.01 -0.09 -2.02 -1.24 1.85 -0.11 -4.94 116.66 110.10 2p0c n ARG 775 Ca 0.00 0.02 -0.42 0.00 -1.00 0.00 0.00 57.85 56.45 2p0c n ARG 775 Cb 0.09 -4.20 -0.03 0.00 -1.05 0.00 0.00 32.46 27.28 2p0c n ARG 775 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2p0c s VAL 776 N -1.47 2.80 -0.08 8.89 1.01 -1.26 -4.96 120.40 125.32 2p0c s VAL 776 Ca 0.00 0.61 0.01 0.00 0.00 0.00 0.00 61.98 62.59 2p0c s VAL 776 Cb 0.00 -3.39 0.02 0.00 0.00 0.00 0.00 36.38 33.01 2p0c s VAL 776 CO 0.00 0.07 -0.08 -0.47 0.00 0.00 0.00 175.10 174.62 2p0c s TYR 777 N 0.66 1.29 0.12 5.22 5.04 -1.26 -3.96 117.35 124.46 2p0c s TYR 777 Ca 0.64 -0.54 0.01 0.00 -2.44 0.00 0.00 57.07 54.74 2p0c s TYR 777 Cb -0.41 -1.05 -0.00 0.00 0.35 0.00 0.00 41.96 40.84 2p0c s TYR 777 CO 0.36 -0.37 0.03 0.25 -1.34 0.00 0.00 175.55 174.47 2p0c n THR 778 N 4.44 0.00 0.20 4.34 -2.24 -1.26 -5.00 114.28 114.76 2p0c n THR 778 Ca -0.17 -0.64 0.04 0.00 -2.27 0.00 0.00 64.05 61.01 2p0c n THR 778 Cb 0.51 0.19 0.41 0.00 -2.10 0.00 0.00 70.33 69.35 2p0c n THR 778 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2p0c h SER 779 N 0.40 0.00 0.75 3.42 4.64 -1.99 -2.27 113.55 118.50 2p0c h SER 779 Ca -0.09 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.17 2p0c h SER 779 Cb 0.33 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 2p0c h SER 779 CO 0.15 0.32 -0.27 0.11 -0.87 0.00 0.00 176.83 176.27 2p0c h LYS 780 N 0.00 0.00 -0.36 4.77 1.79 -1.94 0.37 116.57 121.20 2p0c h LYS 780 Ca -0.00 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.30 2p0c h LYS 780 Cb 0.59 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.24 2p0c h LYS 780 CO 0.04 0.27 -0.41 0.77 -1.08 0.00 0.00 179.45 179.05 2p0c h SER 781 N 0.00 0.99 -0.50 0.86 0.02 -1.80 -2.38 113.55 110.74 2p0c h SER 781 Ca -0.00 -0.48 -0.07 0.00 -0.84 0.00 0.00 61.79 60.40 2p0c h SER 781 Cb 0.72 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.96 2p0c h SER 781 CO 0.04 1.27 0.06 0.44 -1.14 0.00 0.00 176.83 177.49 2p0c h ASP 782 N 0.73 0.86 -0.71 3.07 3.32 -1.29 -2.47 116.42 119.93 2p0c h ASP 782 Ca 0.05 -0.19 0.04 0.00 0.02 0.00 0.00 57.03 56.95 2p0c h ASP 782 Cb 1.01 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 40.28 2p0c h ASP 782 CO 0.10 0.88 0.43 0.58 -1.72 0.00 0.00 179.24 179.51 2p0c h VAL 783 N 0.85 1.05 0.14 -1.35 2.07 -0.85 -0.61 116.25 117.54 2p0c h VAL 783 Ca 0.17 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 67.42 2p0c h VAL 783 Cb 0.41 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 2p0c h VAL 783 CO 0.01 0.15 -0.23 -0.25 0.02 0.00 0.00 177.57 177.27 2p0c h TRP 784 N 0.81 -0.62 -0.63 1.57 2.91 -1.08 -2.53 115.95 116.39 2p0c h TRP 784 Ca 0.30 0.01 0.09 0.00 1.13 0.00 0.00 58.89 60.42 2p0c h TRP 784 Cb 0.10 0.25 -0.04 0.00 -0.51 0.00 0.00 29.16 28.96 2p0c h TRP 784 CO -0.05 -0.33 0.42 0.00 -1.03 0.00 0.00 178.44 177.44 2p0c h ALA 785 N 0.31 1.94 -0.76 2.65 0.00 -1.04 -1.54 119.26 120.82 2p0c h ALA 785 Ca 0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2p0c h ALA 785 Cb 0.45 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 2p0c h ALA 785 CO -0.12 -0.08 0.38 0.35 0.00 0.00 0.00 179.25 179.79 2p0c h PHE 786 N 0.49 1.09 -0.41 0.00 3.57 -0.72 -0.77 116.94 120.18 2p0c h PHE 786 Ca 0.29 -0.05 -0.10 0.00 3.53 0.00 0.00 57.97 61.64 2p0c h PHE 786 Cb 0.48 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 2p0c h PHE 786 CO -0.00 0.79 -0.16 0.78 -2.23 0.00 0.00 178.31 177.49 2p0c h GLY 787 N 1.07 0.83 0.94 2.40 0.00 -0.89 0.26 103.07 107.68 2p0c h GLY 787 Ca 0.26 -0.66 -0.02 0.00 0.00 0.00 0.00 47.33 46.91 2p0c h GLY 787 CO -0.04 0.61 0.16 -2.08 0.00 0.00 0.00 176.54 175.19 2p0c h VAL 788 N 0.69 1.20 -0.55 4.60 2.07 -1.28 -1.97 116.25 121.00 2p0c h VAL 788 Ca 0.11 -0.61 -0.02 0.00 0.82 0.00 0.00 66.70 67.00 2p0c h VAL 788 Cb 0.65 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 2p0c h VAL 788 CO 0.05 0.22 0.27 0.74 0.02 0.00 0.00 177.57 178.87 2p0c h THR 789 N 0.51 1.20 -0.85 2.57 2.02 -0.58 0.11 112.91 117.89 2p0c h THR 789 Ca 0.13 -0.55 0.16 0.00 0.77 0.00 0.00 66.41 66.92 2p0c h THR 789 Cb 0.19 0.54 -0.10 0.00 -1.74 0.00 0.00 68.15 67.05 2p0c h THR 789 CO -0.01 0.22 0.41 0.24 0.37 0.00 0.00 175.52 176.75 2p0c h MET 790 N 0.75 0.54 -0.11 6.66 2.86 -0.38 -1.04 114.93 124.20 2p0c h MET 790 Ca 0.19 -0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.75 2p0c h MET 790 Cb 0.10 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 31.64 2p0c h MET 790 CO -0.03 0.36 -0.10 2.35 1.06 0.00 0.00 176.91 180.55 2p0c h TRP 791 N 0.56 0.33 -0.92 -0.22 7.01 -0.52 0.61 115.95 122.80 2p0c h TRP 791 Ca 0.47 -0.10 0.22 0.00 2.11 0.00 0.00 58.89 61.60 2p0c h TRP 791 Cb 0.73 -0.07 -0.12 0.00 -2.10 0.00 0.00 29.16 27.60 2p0c h TRP 791 CO -0.11 0.68 0.44 0.93 -2.79 0.00 0.00 178.44 177.59 2p0c h GLU 792 N -0.12 0.44 -0.02 2.65 5.08 -0.45 -0.71 114.58 121.45 2p0c h GLU 792 Ca 0.02 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2p0c h GLU 792 Cb 0.62 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 2p0c h GLU 792 CO 0.03 0.29 -0.03 0.82 -1.00 0.00 0.00 179.01 179.12 2p0c h ILE 793 N 0.45 1.42 -0.60 3.13 2.04 -0.65 0.40 117.51 123.71 2p0c h ILE 793 Ca 0.57 -1.29 0.02 0.00 1.00 0.00 0.00 64.86 65.16 2p0c h ILE 793 Cb 1.07 2.25 -0.03 0.00 -0.74 0.00 0.00 36.82 39.37 2p0c h ILE 793 CO -0.51 0.34 0.40 0.00 0.00 0.00 0.00 178.15 178.38 2p0c h ALA 794 N 0.48 1.62 -0.11 1.87 0.00 -0.43 -0.95 119.26 121.74 2p0c h ALA 794 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2p0c h ALA 794 Cb 0.57 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2p0c h ALA 794 CO 0.01 0.34 0.00 0.25 0.00 0.00 0.00 179.25 179.85 2p0c n THR 795 N -4.45 0.13 -3.75 0.00 -2.24 -0.31 -4.95 114.28 98.70 2p0c n THR 795 Ca 0.06 -0.30 -0.25 0.00 -2.27 0.00 0.00 64.05 61.30 2p0c n THR 795 Cb 0.08 0.37 0.04 0.00 -2.10 0.00 0.00 70.33 68.73 2p0c n THR 795 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2p0c n ARG 796 N 0.21 -5.70 0.00 -0.78 1.74 -0.36 -3.79 116.66 107.98 2p0c n ARG 796 Ca 0.17 0.66 0.00 0.00 -0.77 0.00 0.00 57.85 57.91 2p0c n ARG 796 Cb 0.33 -5.45 0.00 0.00 -1.02 0.00 0.00 32.46 26.31 2p0c n ARG 796 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2p0c n GLY 797 N -1.65 1.08 3.77 -0.13 0.00 0.13 -3.81 105.19 104.59 2p0c n GLY 797 Ca -0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 2p0c n GLY 797 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2p0c s MET 798 N -0.59 4.31 0.18 1.61 -1.94 -1.25 -4.96 119.30 116.66 2p0c s MET 798 Ca 0.00 2.28 -0.32 0.00 -1.71 0.00 0.00 55.69 55.94 2p0c s MET 798 Cb 0.00 -3.06 -0.11 0.00 2.01 0.00 0.00 34.83 33.67 2p0c s MET 798 CO 0.00 -0.27 1.76 0.99 -0.01 0.00 0.00 175.02 177.49 2p0c s THR 799 N -1.00 2.21 0.77 2.05 2.01 -1.26 -4.71 115.64 115.71 2p0c s THR 799 Ca 0.51 0.04 -0.15 0.00 0.31 0.00 0.00 61.69 62.39 2p0c s THR 799 Cb -0.41 -3.02 0.02 0.00 0.01 0.00 0.00 72.50 69.10 2p0c s THR 799 CO 0.53 0.00 0.89 -2.65 -0.69 0.00 0.00 174.62 172.70 2p0c n PRO 800 N 4.58 0.31 -3.55 4.92 -0.02 -1.26 -3.99 135.00 135.99 2p0c n PRO 800 Ca 0.17 0.16 -0.17 0.00 -2.02 0.00 0.00 63.50 61.64 2p0c n PRO 800 Cb 0.36 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 2p0c n PRO 800 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2p0c n TYR 801 N -2.79 -2.35 -1.90 6.00 4.01 -1.26 -4.91 117.16 113.96 2p0c n TYR 801 Ca 0.12 0.92 -0.39 0.00 -0.16 0.00 0.00 57.90 58.39 2p0c n TYR 801 Cb 0.50 -3.24 0.02 0.00 -0.31 0.00 0.00 39.34 36.31 2p0c n TYR 801 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2p0c s PRO 802 N -4.36 3.51 0.00 -0.72 0.04 -1.26 -2.30 135.00 129.91 2p0c s PRO 802 Ca 0.02 2.20 0.00 0.00 0.04 0.00 0.00 61.00 63.26 2p0c s PRO 802 Cb -0.01 -2.46 0.00 0.00 0.04 0.00 0.00 34.50 32.07 2p0c s PRO 802 CO 0.85 -0.89 0.00 0.41 0.04 0.00 0.00 177.00 177.41 2p0c n GLY 803 N 0.64 2.77 3.50 0.56 0.00 -1.26 -5.01 105.19 106.39 2p0c n GLY 803 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 2p0c n GLY 803 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2p0c s VAL 804 N -2.61 4.18 0.51 1.61 1.01 -0.97 -5.10 120.40 119.01 2p0c s VAL 804 Ca 0.00 -0.24 -0.11 0.00 0.00 0.00 0.00 61.98 61.62 2p0c s VAL 804 Cb 0.00 -2.88 -0.06 0.00 0.00 0.00 0.00 36.38 33.44 2p0c s VAL 804 CO 0.00 0.44 0.90 -1.10 0.00 0.00 0.00 175.10 175.34 2p0c s GLN 805 N 0.78 3.74 0.32 2.72 -0.21 -1.26 -4.95 119.66 120.79 2p0c s GLN 805 Ca 0.01 0.64 0.03 0.00 0.02 0.00 0.00 55.36 56.06 2p0c s GLN 805 Cb -0.14 -2.23 0.63 0.00 1.00 0.00 0.00 33.01 32.27 2p0c s GLN 805 CO 0.02 -0.27 1.89 -0.91 -2.12 0.00 0.00 175.29 173.90 2p0c h ASN 806 N 0.57 0.82 0.97 5.90 2.35 -1.99 -1.36 115.58 122.85 2p0c h ASN 806 Ca -0.46 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.31 2p0c h ASN 806 Cb 1.19 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 39.41 2p0c h ASN 806 CO 0.62 0.48 0.00 0.00 -1.65 0.00 0.00 177.43 176.89 2p0c n HIS 807 N -4.53 0.25 0.83 1.19 1.44 -1.26 -2.70 115.22 110.44 2p0c n HIS 807 Ca 0.15 0.08 0.12 0.00 -2.01 0.00 0.00 57.72 56.06 2p0c n HIS 807 Cb 0.30 -0.63 0.18 0.00 0.12 0.00 0.00 29.99 29.96 2p0c n HIS 807 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 2p0c n GLU 808 N -1.71 0.11 -0.30 -1.40 1.02 -0.52 -4.57 120.64 113.27 2p0c n GLU 808 Ca 0.06 0.02 0.01 0.00 -0.02 0.00 0.00 57.16 57.23 2p0c n GLU 808 Cb 0.32 -1.56 0.15 0.00 -0.02 0.00 0.00 31.44 30.33 2p0c n GLU 808 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 2p0c h MET 809 N 0.00 0.86 -0.13 3.49 2.86 -1.44 -1.18 114.93 119.39 2p0c h MET 809 Ca 0.00 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 2p0c h MET 809 Cb 0.59 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.05 2p0c h MET 809 CO 0.00 0.57 0.03 -0.92 1.06 0.00 0.00 176.91 177.65 2p0c h TYR 810 N 0.88 0.23 -0.02 -0.22 5.03 -1.82 -1.15 116.97 119.90 2p0c h TYR 810 Ca 0.38 -0.03 -0.14 0.00 2.58 0.00 0.00 58.73 61.52 2p0c h TYR 810 Cb 0.25 -0.06 -0.02 0.00 1.55 0.00 0.00 36.73 38.45 2p0c h TYR 810 CO -0.04 0.37 -0.63 -0.44 -1.32 0.00 0.00 178.16 176.10 2p0c h ASP 811 N 0.01 0.09 -0.57 -2.11 3.32 -1.84 0.20 116.42 115.52 2p0c h ASP 811 Ca 0.04 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2p0c h ASP 811 Cb 0.26 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 2p0c h ASP 811 CO 0.00 0.69 0.35 0.22 -1.72 0.00 0.00 179.24 178.79 2p0c h TYR 812 N 0.06 0.73 0.00 4.55 3.20 -1.11 -1.64 116.97 122.76 2p0c h TYR 812 Ca -0.01 0.01 -0.17 0.00 3.14 0.00 0.00 58.73 61.69 2p0c h TYR 812 Cb 1.12 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 39.12 2p0c h TYR 812 CO 0.01 0.49 -0.82 -0.07 -1.64 0.00 0.00 178.16 176.12 2p0c h LEU 813 N 0.76 0.00 -0.91 2.82 3.38 -1.08 -2.90 115.31 117.39 2p0c h LEU 813 Ca 0.20 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.06 2p0c h LEU 813 Cb -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2p0c h LEU 813 CO -0.04 0.82 -0.41 0.25 0.09 0.00 0.00 178.44 179.15 2p0c h LEU 814 N 0.00 0.29 0.00 1.67 5.85 -0.76 -2.31 115.31 120.04 2p0c h LEU 814 Ca -0.01 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.59 2p0c h LEU 814 Cb 1.50 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.45 2p0c h LEU 814 CO 0.11 0.67 0.00 1.41 -0.34 0.00 0.00 178.44 180.29 2p0c n HIS 815 N -4.02 0.00 -0.06 1.25 8.25 -0.63 -4.90 115.22 115.10 2p0c n HIS 815 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 2p0c n HIS 815 Cb 0.48 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.59 2p0c n HIS 815 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2p0c n GLY 816 N 0.78 0.46 3.77 -1.41 0.00 -0.87 -5.06 105.19 102.87 2p0c n GLY 816 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 2p0c n GLY 816 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2p0c s HIS 817 N -2.17 3.01 0.24 1.61 3.76 -1.10 -5.01 115.29 115.63 2p0c s HIS 817 Ca 0.00 1.56 0.01 0.00 -0.15 0.00 0.00 55.06 56.47 2p0c s HIS 817 Cb 0.00 -3.36 -0.04 0.00 1.11 0.00 0.00 32.58 30.29 2p0c s HIS 817 CO 0.00 -1.32 0.13 1.03 -0.85 0.00 0.00 174.74 173.73 2p0c s ARG 818 N -2.48 1.36 0.20 1.40 1.81 -1.26 -4.37 118.95 115.61 2p0c s ARG 818 Ca 0.60 -1.74 -0.33 0.00 -1.72 0.00 0.00 55.73 52.54 2p0c s ARG 818 Cb -0.29 0.01 -0.14 0.00 -0.45 0.00 0.00 34.95 34.09 2p0c s ARG 818 CO 0.36 -0.37 1.49 1.28 -0.68 0.00 0.00 175.30 177.38 2p0c n LEU 819 N -0.40 3.08 -4.80 2.53 4.77 -1.26 -4.95 117.00 115.96 2p0c n LEU 819 Ca 0.01 1.11 -0.34 0.00 -0.03 0.00 0.00 56.01 56.77 2p0c n LEU 819 Cb 0.66 -1.42 -0.05 0.00 -2.33 0.00 0.00 43.42 40.28 2p0c n LEU 819 CO 0.35 -0.39 0.70 -0.54 -1.33 0.00 0.00 177.39 176.17 2p0c s LYS 820 N 0.28 3.96 0.12 3.23 1.02 -1.26 -4.97 119.74 122.11 2p0c s LYS 820 Ca 0.74 1.30 -0.32 0.00 0.02 0.00 0.00 55.97 57.71 2p0c s LYS 820 Cb -0.67 -2.15 -0.11 0.00 -0.52 0.00 0.00 37.83 34.38 2p0c s LYS 820 CO 0.44 -0.29 1.81 0.94 -0.92 0.00 0.00 175.35 177.32 2p0c n GLN 821 N -0.81 2.70 -0.86 1.68 7.27 -1.26 -4.98 117.38 121.12 2p0c n GLN 821 Ca 0.08 0.98 -0.32 0.00 0.07 0.00 0.00 57.00 57.81 2p0c n GLN 821 Cb 0.53 -2.86 0.15 0.00 2.41 0.00 0.00 30.24 30.47 2p0c n GLN 821 CO 0.00 0.00 0.00 -2.30 0.07 0.00 0.00 177.06 174.83 2p0c n PRO 822 N 5.35 -0.18 0.00 3.69 -0.02 -1.26 -4.97 135.00 137.60 2p0c n PRO 822 Ca 0.18 0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 2p0c n PRO 822 Cb 0.36 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 2p0c n PRO 822 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2p0c n GLU 823 N -3.70 0.00 -0.91 -0.52 4.07 -1.26 -2.83 120.64 115.49 2p0c n GLU 823 Ca 0.12 0.31 -0.19 0.00 -0.06 0.00 0.00 57.16 57.34 2p0c n GLU 823 Cb 0.51 -0.97 0.07 0.00 -0.06 0.00 0.00 31.44 30.99 2p0c n GLU 823 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 2p0c n ASP 824 N -0.78 5.72 -4.71 4.31 8.00 -1.26 -4.92 116.55 122.91 2p0c n ASP 824 Ca 0.00 -3.14 -0.39 0.00 0.71 0.00 0.00 54.79 51.97 2p0c n ASP 824 Cb 0.00 -0.93 -0.05 0.00 -0.02 0.00 0.00 41.12 40.11 2p0c n ASP 824 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2p0c n LEU 826 N 3.96 1.57 -0.30 0.00 4.77 -1.26 -4.85 117.00 120.88 2p0c n LEU 826 Ca -0.04 1.13 0.10 0.00 -0.03 0.00 0.00 56.01 57.17 2p0c n LEU 826 Cb 0.51 -1.19 0.27 0.00 -2.33 0.00 0.00 43.42 40.68 2p0c n LEU 826 CO 0.45 -1.14 1.08 0.44 -1.33 0.00 0.00 177.39 176.89 2p0c h ASP 827 N 4.20 0.46 -0.89 -1.43 5.19 -1.98 -1.10 116.42 120.86 2p0c h ASP 827 Ca -0.46 0.12 0.02 0.00 -0.62 0.00 0.00 57.03 56.09 2p0c h ASP 827 Cb 1.34 0.06 -0.05 0.00 0.18 0.00 0.00 39.33 40.86 2p0c h ASP 827 CO 0.75 0.12 0.59 -0.33 -3.12 0.00 0.00 179.24 177.25 2p0c h GLU 828 N 0.53 1.14 -0.16 3.56 3.07 -2.00 -0.37 114.58 120.35 2p0c h GLU 828 Ca 0.52 -0.07 -0.19 0.00 -0.50 0.00 0.00 59.36 59.12 2p0c h GLU 828 Cb 0.86 -0.26 -0.00 0.00 -0.84 0.00 0.00 28.75 28.52 2p0c h GLU 828 CO -0.44 0.75 -0.66 1.25 -1.40 0.00 0.00 179.01 178.51 2p0c h LEU 829 N 1.17 0.69 -0.67 1.33 5.85 -1.71 -3.11 115.31 118.87 2p0c h LEU 829 Ca 0.34 -0.42 -0.11 0.00 0.84 0.00 0.00 57.88 58.53 2p0c h LEU 829 Cb -0.08 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.73 2p0c h LEU 829 CO -0.09 1.17 -0.15 0.22 -0.34 0.00 0.00 178.44 179.25 2p0c h TYR 830 N 0.43 0.99 -0.96 1.25 3.20 -0.68 -2.25 116.97 118.94 2p0c h TYR 830 Ca -0.02 -0.21 0.10 0.00 3.14 0.00 0.00 58.73 61.75 2p0c h TYR 830 Cb 1.24 -0.24 -0.07 0.00 1.54 0.00 0.00 36.73 39.19 2p0c h TYR 830 CO 0.06 0.96 0.62 0.93 -1.64 0.00 0.00 178.16 179.09 2p0c h GLU 831 N 0.78 0.96 0.06 1.82 5.08 -1.12 0.19 114.58 122.37 2p0c h GLU 831 Ca 0.12 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2p0c h GLU 831 Cb 0.68 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2p0c h GLU 831 CO 0.05 0.64 -0.03 0.82 -1.00 0.00 0.00 179.01 179.49 2p0c h ILE 832 N 0.99 1.13 -0.21 3.13 2.04 -1.41 -2.18 117.51 121.01 2p0c h ILE 832 Ca 0.45 -0.69 0.05 0.00 1.00 0.00 0.00 64.86 65.67 2p0c h ILE 832 Cb 0.39 1.58 -0.06 0.00 -0.74 0.00 0.00 36.82 38.00 2p0c h ILE 832 CO -0.21 0.17 -0.15 0.24 0.00 0.00 0.00 178.15 178.20 2p0c h MET 833 N -0.40 -0.14 -0.50 2.37 2.86 -1.04 -2.99 114.93 115.09 2p0c h MET 833 Ca -0.01 0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.68 2p0c h MET 833 Cb 0.35 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.00 2p0c h MET 833 CO 0.01 -0.09 0.26 -0.92 1.06 0.00 0.00 176.91 177.23 2p0c h TYR 834 N -0.15 0.47 -0.21 -0.22 5.03 -0.62 -1.70 116.97 119.58 2p0c h TYR 834 Ca 0.12 0.02 0.06 0.00 2.58 0.00 0.00 58.73 61.51 2p0c h TYR 834 Cb 0.33 -0.14 -0.01 0.00 1.55 0.00 0.00 36.73 38.46 2p0c h TYR 834 CO -0.31 0.24 0.27 0.66 -1.32 0.00 0.00 178.16 177.71 2p0c h SER 835 N 0.51 0.00 1.22 -2.11 4.64 -1.24 0.12 113.55 116.69 2p0c h SER 835 Ca 0.22 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.53 2p0c h SER 835 Cb 0.11 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.20 2p0c h SER 835 CO -0.14 0.00 -0.03 0.00 -0.87 0.00 0.00 176.83 175.78 2p0c n TRP 837 N -3.13 0.85 -1.65 0.00 8.01 0.41 -3.75 117.44 118.17 2p0c n TRP 837 Ca 0.01 -0.70 -0.43 0.00 -1.31 0.00 0.00 57.50 55.07 2p0c n TRP 837 Cb 0.37 -0.20 -0.01 0.00 -2.01 0.00 0.00 31.31 29.46 2p0c n TRP 837 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.69 177.22 2p0c n ARG 838 N 0.09 1.80 0.11 -0.99 1.74 -1.22 -4.91 116.66 113.28 2p0c n ARG 838 Ca 0.18 0.63 -0.13 0.00 -0.77 0.00 0.00 57.85 57.76 2p0c n ARG 838 Cb 0.72 -2.14 -0.08 0.00 -1.02 0.00 0.00 32.46 29.94 2p0c n ARG 838 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 2p0c h THR 839 N 2.27 0.88 -2.95 0.55 2.02 -1.94 -3.38 112.91 110.35 2p0c h THR 839 Ca -0.44 -0.24 -0.57 0.00 0.77 0.00 0.00 66.41 65.94 2p0c h THR 839 Cb 1.31 1.02 -0.04 0.00 -1.74 0.00 0.00 68.15 68.70 2p0c h THR 839 CO 0.61 0.06 0.95 -0.62 0.37 0.00 0.00 175.52 176.89 2p0c s ASP 840 N -5.08 6.80 0.40 4.18 -1.08 -1.26 -4.82 116.67 115.80 2p0c s ASP 840 Ca -0.14 1.57 0.18 0.00 -0.52 0.00 0.00 52.55 53.64 2p0c s ASP 840 Cb 0.04 -2.54 1.08 0.00 -1.46 0.00 0.00 42.92 40.05 2p0c s ASP 840 CO 0.64 -0.91 1.79 -0.65 0.52 0.00 0.00 175.17 176.56 2p0c h PRO 841 N 8.82 0.40 0.00 4.34 0.11 -1.96 -0.54 132.00 143.17 2p0c h PRO 841 Ca -0.28 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.81 2p0c h PRO 841 Cb 1.11 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.13 2p0c h PRO 841 CO 0.99 0.27 0.00 -0.07 -0.21 0.00 0.00 178.00 178.98 2p0c h LEU 842 N 0.41 0.00 0.00 2.35 3.38 -1.92 -1.98 115.31 117.55 2p0c h LEU 842 Ca 0.56 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.48 2p0c h LEU 842 Cb 1.41 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.15 2p0c h LEU 842 CO -0.27 0.00 -0.66 0.44 0.09 0.00 0.00 178.44 178.05 2p0c h ASP 843 N 0.00 0.00 -3.72 -0.43 3.45 -1.45 -3.46 116.42 110.82 2p0c h ASP 843 Ca 0.00 0.00 -0.52 0.00 0.43 0.00 0.00 57.03 56.94 2p0c h ASP 843 Cb 0.20 0.00 0.06 0.00 -0.56 0.00 0.00 39.33 39.03 2p0c h ASP 843 CO 0.00 0.23 0.65 -0.13 -1.57 0.00 0.00 179.24 178.42 2p0c s ARG 844 N -3.14 4.36 0.65 3.56 0.52 -0.75 -4.99 118.95 119.17 2p0c s ARG 844 Ca 0.02 2.18 -0.15 0.00 -0.52 0.00 0.00 55.73 57.27 2p0c s ARG 844 Cb 0.08 -3.10 -0.01 0.00 0.52 0.00 0.00 34.95 32.43 2p0c s ARG 844 CO 0.75 -0.21 1.08 -1.25 0.02 0.00 0.00 175.30 175.69 2p0c s PRO 845 N -1.29 2.97 0.84 3.54 0.04 -1.26 -5.05 135.00 134.79 2p0c s PRO 845 Ca 0.51 1.26 -0.11 0.00 0.04 0.00 0.00 61.00 62.71 2p0c s PRO 845 Cb -0.39 -1.98 0.10 0.00 0.04 0.00 0.00 34.50 32.26 2p0c s PRO 845 CO 0.48 -1.10 1.09 0.95 0.04 0.00 0.00 177.00 178.47 2p0c s THR 846 N -2.49 2.94 0.43 1.26 -4.23 -1.26 -4.87 115.64 107.42 2p0c s THR 846 Ca 0.64 0.31 0.10 0.00 -1.18 0.00 0.00 61.69 61.56 2p0c s THR 846 Cb -0.18 -2.75 0.29 0.00 1.34 0.00 0.00 72.50 71.20 2p0c s THR 846 CO 0.42 -0.40 2.04 -0.26 -0.54 0.00 0.00 174.62 175.88 2p0c h PHE 847 N -1.38 0.43 -0.06 3.99 0.04 -1.94 -1.88 116.94 116.14 2p0c h PHE 847 Ca -0.46 0.01 -0.08 0.00 2.80 0.00 0.00 57.97 60.24 2p0c h PHE 847 Cb 1.26 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 39.25 2p0c h PHE 847 CO 0.50 0.25 -0.34 0.66 -0.60 0.00 0.00 178.31 178.78 2p0c h SER 848 N 0.44 0.11 0.07 2.17 4.64 -1.92 0.16 113.55 119.22 2p0c h SER 848 Ca 0.17 -0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.45 2p0c h SER 848 Cb 0.14 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 2p0c h SER 848 CO -0.04 0.45 -0.03 0.58 -0.87 0.00 0.00 176.83 176.92 2p0c h VAL 849 N 0.10 1.22 -0.84 0.95 2.07 -1.83 -3.12 116.25 114.80 2p0c h VAL 849 Ca 0.01 -1.40 0.15 0.00 0.82 0.00 0.00 66.70 66.28 2p0c h VAL 849 Cb 0.65 2.08 -0.09 0.00 -1.52 0.00 0.00 31.29 32.41 2p0c h VAL 849 CO 0.05 0.33 0.43 -0.07 0.02 0.00 0.00 177.57 178.32 2p0c h LEU 850 N -0.77 0.51 -0.42 2.57 3.38 -1.19 -1.20 115.31 118.20 2p0c h LEU 850 Ca -0.01 0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 2p0c h LEU 850 Cb 0.61 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2p0c h LEU 850 CO 0.02 0.21 -0.11 -0.09 0.09 0.00 0.00 178.44 178.56 2p0c h ARG 851 N 0.61 0.81 -0.38 1.13 1.12 -0.76 -0.98 114.38 115.93 2p0c h ARG 851 Ca 0.46 -0.31 -0.10 0.00 -1.11 0.00 0.00 59.98 58.92 2p0c h ARG 851 Cb 0.66 -0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 30.56 2p0c h ARG 851 CO -0.37 0.93 -0.15 1.25 -3.11 0.00 0.00 179.97 178.53 2p0c h LEU 852 N 0.63 0.78 -0.47 3.80 5.85 -1.42 0.19 115.31 124.67 2p0c h LEU 852 Ca 0.10 -0.39 0.04 0.00 0.84 0.00 0.00 57.88 58.48 2p0c h LEU 852 Cb 0.64 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.41 2p0c h LEU 852 CO 0.04 1.00 0.23 1.56 -0.34 0.00 0.00 178.44 180.93 2p0c h GLN 853 N 0.56 0.44 -0.41 1.25 4.20 -1.04 0.45 115.11 120.56 2p0c h GLN 853 Ca 0.09 -0.03 -0.10 0.00 0.06 0.00 0.00 58.65 58.67 2p0c h GLN 853 Cb 0.69 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.36 2p0c h GLN 853 CO 0.05 0.29 -0.13 -0.07 -0.67 0.00 0.00 178.83 178.30 2p0c h LEU 854 N 0.45 0.82 -0.33 1.46 3.38 -1.07 -0.31 115.31 119.71 2p0c h LEU 854 Ca 0.21 -0.38 0.03 0.00 0.09 0.00 0.00 57.88 57.84 2p0c h LEU 854 Cb 0.13 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 2p0c h LEU 854 CO -0.16 1.01 0.12 -0.33 0.09 0.00 0.00 178.44 179.17 2p0c h GLU 855 N 0.62 0.26 -0.29 1.13 5.08 -0.68 -0.53 114.58 120.18 2p0c h GLU 855 Ca 0.10 -0.02 -0.13 0.00 -1.00 0.00 0.00 59.36 58.32 2p0c h GLU 855 Cb 0.67 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 2p0c h GLU 855 CO 0.05 0.17 -0.34 -0.22 -1.00 0.00 0.00 179.01 177.67 2p0c h LYS 856 N 0.27 0.63 -0.31 2.33 3.64 -0.86 -1.12 116.57 121.15 2p0c h LYS 856 Ca 0.15 -0.29 -0.01 0.00 -1.27 0.00 0.00 60.65 59.23 2p0c h LYS 856 Cb 0.11 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 2p0c h LYS 856 CO -0.14 0.88 0.16 1.25 -2.27 0.00 0.00 179.45 179.33 2p0c h LEU 857 N 0.53 0.39 -0.43 5.20 5.85 -0.82 -2.54 115.31 123.48 2p0c h LEU 857 Ca 0.06 -0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.73 2p0c h LEU 857 Cb 0.84 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.73 2p0c h LEU 857 CO 0.07 0.37 0.19 0.25 -0.34 0.00 0.00 178.44 178.98 2p0c h LEU 858 N 0.37 0.25 -1.90 2.25 5.85 -0.79 -2.59 115.31 118.75 2p0c h LEU 858 Ca 0.11 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 2p0c h LEU 858 Cb 0.07 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.09 2p0c h LEU 858 CO -0.02 0.18 -0.12 -0.33 -0.34 0.00 0.00 178.44 177.81 2p0c h GLU 859 N 0.38 0.00 -0.24 1.25 4.39 -1.13 -2.55 114.58 116.69 2p0c h GLU 859 Ca 0.19 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.80 2p0c h GLU 859 Cb 0.14 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 2p0c h GLU 859 CO -0.16 0.12 -0.25 0.77 -1.16 0.00 0.00 179.01 178.32 2p0c h SER 860 N 0.00 0.46 0.00 1.42 0.02 -1.04 -3.51 113.55 110.90 2p0c h SER 860 Ca -0.00 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 2p0c h SER 860 Cb 0.33 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.75 2p0c h SER 860 CO 0.02 0.71 0.00 0.18 -1.14 0.00 0.00 176.83 176.60