#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3itu h GLU 581 N 0.00 0.17 -0.73 -1.24 4.81 -2.02 -2.40 114.58 113.17 3itu h GLU 581 Ca 0.00 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.25 3itu h GLU 581 Cb 0.00 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.30 3itu h GLU 581 CO 0.00 0.11 0.45 -0.92 -0.73 0.00 0.00 179.01 177.93 3itu h TYR 582 N 0.18 0.85 -0.19 0.92 3.20 -1.98 -0.78 116.97 119.17 3itu h TYR 582 Ca 0.30 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.21 3itu h TYR 582 Cb 0.47 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.44 3itu h TYR 582 CO -0.30 0.48 0.08 1.15 -1.64 0.00 0.00 178.16 177.93 3itu h THR 583 N 0.88 0.97 -0.12 1.81 2.02 -1.96 -0.01 112.91 116.51 3itu h THR 583 Ca 0.29 -0.06 -0.13 0.00 0.77 0.00 0.00 66.41 67.29 3itu h THR 583 Cb 0.03 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 3itu h THR 583 CO -0.11 0.03 -0.48 0.11 0.37 0.00 0.00 175.52 175.44 3itu h LYS 584 N 0.17 0.30 -0.48 6.66 1.57 -1.32 -0.67 116.57 122.80 3itu h LYS 584 Ca 0.08 -0.17 -0.10 0.00 -1.87 0.00 0.00 60.65 58.60 3itu h LYS 584 Cb 0.04 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 3itu h LYS 584 CO -0.07 0.72 -0.09 1.25 -0.57 0.00 0.00 179.45 180.69 3itu h LEU 585 N 0.24 0.85 0.01 2.94 5.85 -0.54 -2.48 115.31 122.18 3itu h LEU 585 Ca 0.01 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.48 3itu h LEU 585 Cb 0.94 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.74 3itu h LEU 585 CO 0.08 0.96 -0.00 0.25 -0.34 0.00 0.00 178.44 179.39 3itu h LEU 586 N 0.78 -0.01 0.00 2.25 5.85 -0.88 -3.40 115.31 119.90 3itu h LEU 586 Ca 0.13 -0.72 0.00 0.00 0.84 0.00 0.00 57.88 58.13 3itu h LEU 586 Cb 0.59 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.62 3itu h LEU 586 CO 0.04 0.73 -1.37 1.41 -0.34 0.00 0.00 178.44 178.91 3itu n HIS 587 N -4.74 0.02 -1.77 1.25 8.25 -0.27 -4.85 115.22 113.11 3itu n HIS 587 Ca -0.09 0.01 -0.30 0.00 -0.26 0.00 0.00 57.72 57.07 3itu n HIS 587 Cb 0.36 -0.21 0.05 0.00 1.12 0.00 0.00 29.99 31.30 3itu n HIS 587 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3itu s ASP 588 N -3.62 5.37 0.64 0.41 1.01 -0.94 -5.04 116.67 114.50 3itu s ASP 588 Ca 0.02 1.29 -0.14 0.00 0.71 0.00 0.00 52.55 54.43 3itu s ASP 588 Cb 0.15 -2.13 -0.02 0.00 1.01 0.00 0.00 42.92 41.93 3itu s ASP 588 CO 0.88 -1.41 1.06 -0.83 0.21 0.00 0.00 175.17 175.08 3itu s GLY 589 N -4.15 1.93 -0.24 0.21 0.00 -1.26 -4.96 107.32 98.85 3itu s GLY 589 Ca 0.58 0.26 -0.29 0.00 0.00 0.00 0.00 44.72 45.27 3itu s GLY 589 CO 0.53 0.57 1.38 -0.42 0.00 0.00 0.00 173.10 175.17 3itu s ILE 590 N -2.70 4.04 0.34 0.90 1.01 -1.26 -4.98 121.20 118.55 3itu s ILE 590 Ca 0.61 1.20 -0.28 0.00 0.00 0.00 0.00 60.65 62.18 3itu s ILE 590 Cb -0.15 -3.98 -0.12 0.00 0.01 0.00 0.00 42.46 38.21 3itu s ILE 590 CO 0.44 -0.34 1.28 1.67 0.00 0.00 0.00 174.94 177.99 3itu n GLN 591 N 7.23 2.10 -1.72 2.79 7.27 -1.26 -4.91 117.38 128.87 3itu n GLN 591 Ca 0.16 0.73 -0.41 0.00 0.07 0.00 0.00 57.00 57.56 3itu n GLN 591 Cb 0.46 -2.31 0.02 0.00 2.41 0.00 0.00 30.24 30.81 3itu n GLN 591 CO 0.00 0.00 0.00 -2.30 0.07 0.00 0.00 177.06 174.83 3itu n PRO 592 N 0.56 2.01 -0.02 3.69 -0.02 -1.26 -4.60 135.00 135.36 3itu n PRO 592 Ca 0.05 0.72 -0.02 0.00 -2.02 0.00 0.00 63.50 62.22 3itu n PRO 592 Cb 0.36 -2.46 0.24 0.00 -0.02 0.00 0.00 33.50 31.61 3itu n PRO 592 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 3itu h VAL 593 N 2.11 1.23 0.00 -1.45 3.04 -1.91 -1.67 116.25 117.60 3itu h VAL 593 Ca -0.49 -0.99 -0.01 0.00 -1.01 0.00 0.00 66.70 64.20 3itu h VAL 593 Cb 1.29 1.07 -0.00 0.00 -2.01 0.00 0.00 31.29 31.63 3itu h VAL 593 CO 0.60 0.33 -0.07 0.00 -1.01 0.00 0.00 177.57 177.42 3itu h ALA 594 N 1.39 1.27 0.00 3.17 0.00 -1.89 -1.79 119.26 121.41 3itu h ALA 594 Ca 0.10 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3itu h ALA 594 Cb 0.47 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3itu h ALA 594 CO 0.03 0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.36 3itu n ALA 595 N -2.25 2.20 -0.08 0.00 0.00 -0.63 -3.67 120.51 116.09 3itu n ALA 595 Ca -0.02 -0.03 -0.12 0.00 0.00 0.00 0.00 53.44 53.27 3itu n ALA 595 Cb 0.19 -1.45 -0.05 0.00 0.00 0.00 0.00 19.45 18.14 3itu n ALA 595 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3itu h ILE 596 N 0.00 1.30 -1.69 0.00 2.04 -1.38 -3.46 117.51 114.31 3itu h ILE 596 Ca 0.00 -1.14 0.04 0.00 1.00 0.00 0.00 64.86 64.76 3itu h ILE 596 Cb 0.62 1.55 -0.23 0.00 -0.74 0.00 0.00 36.82 38.02 3itu h ILE 596 CO 0.00 0.35 0.41 -0.62 0.00 0.00 0.00 178.15 178.30 3itu s ASP 597 N -6.12 -0.48 0.54 1.72 2.15 -1.24 -5.03 116.67 108.21 3itu s ASP 597 Ca -0.14 0.70 0.27 0.00 0.43 0.00 0.00 52.55 53.82 3itu s ASP 597 Cb 0.07 0.63 1.54 0.00 -0.30 0.00 0.00 42.92 44.86 3itu s ASP 597 CO 0.77 -0.32 2.12 0.77 -0.17 0.00 0.00 175.17 178.33 3itu h SER 598 N 3.37 0.00 -0.68 -0.34 4.64 -1.90 -2.22 113.55 116.42 3itu h SER 598 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 3itu h SER 598 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3itu h SER 598 CO 0.24 0.09 0.00 -3.20 -0.87 0.00 0.00 176.83 173.09 3itu n ASN 599 N -3.73 4.00 0.11 4.97 5.15 -1.26 -4.69 115.26 119.81 3itu n ASN 599 Ca -0.02 -2.09 0.05 0.00 -0.60 0.00 0.00 54.58 51.92 3itu n ASN 599 Cb 0.19 -0.48 0.50 0.00 -0.53 0.00 0.00 39.78 39.46 3itu n ASN 599 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 3itu h PHE 600 N 4.00 0.30 -0.56 1.20 3.57 -1.75 -1.46 116.94 122.25 3itu h PHE 600 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3itu h PHE 600 Cb 1.05 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.69 3itu h PHE 600 CO 0.51 0.21 0.00 0.00 -2.23 0.00 0.00 178.31 176.80 3itu n ALA 601 N -2.50 2.93 -2.87 2.41 0.00 -1.26 -4.88 120.51 114.33 3itu n ALA 601 Ca 0.00 -1.29 -0.32 0.00 0.00 0.00 0.00 53.44 51.83 3itu n ALA 601 Cb 0.09 -1.02 -0.05 0.00 0.00 0.00 0.00 19.45 18.47 3itu n ALA 601 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3itu s SER 602 N -0.85 6.15 0.12 0.00 0.15 -0.55 -4.80 113.70 113.92 3itu s SER 602 Ca 0.43 0.25 0.07 0.00 0.70 0.00 0.00 55.95 57.40 3itu s SER 602 Cb 0.27 -1.87 0.39 0.00 -1.71 0.00 0.00 66.02 63.10 3itu s SER 602 CO 0.22 0.23 1.18 0.49 1.20 0.00 0.00 173.24 176.56 3itu n PHE 603 N 0.77 0.24 1.07 3.44 3.72 -1.26 -1.75 117.46 123.70 3itu n PHE 603 Ca -0.10 0.13 0.12 0.00 -0.05 0.00 0.00 57.45 57.55 3itu n PHE 603 Cb 0.52 -0.65 0.20 0.00 -0.94 0.00 0.00 39.48 38.61 3itu n PHE 603 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3itu n THR 604 N -1.73 0.00 -2.46 4.37 -2.24 -1.26 -4.84 114.28 106.11 3itu n THR 604 Ca -0.00 -0.06 -0.40 0.00 -2.27 0.00 0.00 64.05 61.31 3itu n THR 604 Cb 0.07 0.52 -0.04 0.00 -2.10 0.00 0.00 70.33 68.78 3itu n THR 604 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3itu s TYR 605 N -2.80 3.56 -0.50 4.78 5.04 -0.72 -4.94 117.35 121.78 3itu s TYR 605 Ca 0.15 1.66 -0.13 0.00 -2.44 0.00 0.00 57.07 56.31 3itu s TYR 605 Cb 0.18 -3.30 0.11 0.00 0.35 0.00 0.00 41.96 39.30 3itu s TYR 605 CO 0.66 -0.62 0.42 0.95 -1.34 0.00 0.00 175.55 175.62 3itu s THR 606 N -0.98 4.84 0.63 4.34 -4.23 -1.26 -4.98 115.64 114.00 3itu s THR 606 Ca 0.46 -1.52 0.36 0.00 -1.18 0.00 0.00 61.69 59.81 3itu s THR 606 Cb -0.32 -4.08 0.39 0.00 1.34 0.00 0.00 72.50 69.83 3itu s THR 606 CO 0.40 -0.77 2.26 1.55 -0.54 0.00 0.00 174.62 177.52 3itu h PRO 607 N 8.70 0.00 0.00 3.99 0.13 -1.94 0.06 132.00 142.94 3itu h PRO 607 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3itu h PRO 607 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3itu h PRO 607 CO 0.94 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 179.25 3itu n ARG 608 N -3.44 0.04 0.20 0.86 1.74 -1.26 -1.62 116.66 113.17 3itu n ARG 608 Ca -0.02 0.19 0.04 0.00 -0.77 0.00 0.00 57.85 57.29 3itu n ARG 608 Cb 0.13 -1.50 0.41 0.00 -1.02 0.00 0.00 32.46 30.48 3itu n ARG 608 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 3itu h SER 609 N 0.00 0.00 -3.28 0.55 0.02 -1.41 -3.44 113.55 105.99 3itu h SER 609 Ca 0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 3itu h SER 609 Cb 0.28 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.83 3itu h SER 609 CO 0.00 0.34 0.58 -0.22 -1.14 0.00 0.00 176.83 176.39 3itu s LEU 610 N -7.89 4.40 0.51 5.07 2.96 -0.64 -4.96 118.68 118.14 3itu s LEU 610 Ca -0.02 2.15 -0.22 0.00 -0.22 0.00 0.00 54.13 55.82 3itu s LEU 610 Cb 0.14 -3.59 -0.07 0.00 0.50 0.00 0.00 46.19 43.17 3itu s LEU 610 CO 0.70 -0.46 1.16 -2.65 -1.32 0.00 0.00 176.35 173.78 3itu n PRO 611 N 3.34 1.45 -0.07 0.98 -0.02 -1.26 -4.87 135.00 134.55 3itu n PRO 611 Ca 0.07 0.53 0.01 0.00 -2.02 0.00 0.00 63.50 62.09 3itu n PRO 611 Cb 0.45 -2.31 0.31 0.00 -0.02 0.00 0.00 33.50 31.93 3itu n PRO 611 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3itu h GLU 612 N 1.33 0.68 0.00 -0.52 4.81 -1.93 -1.42 114.58 117.53 3itu h GLU 612 Ca -0.48 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 58.66 3itu h GLU 612 Cb 1.33 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.58 3itu h GLU 612 CO 0.56 0.54 0.00 -0.44 -0.73 0.00 0.00 179.01 178.94 3itu h ASP 613 N 0.68 0.00 -0.02 1.04 5.19 -2.03 -2.35 116.42 118.92 3itu h ASP 613 Ca 0.17 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.58 3itu h ASP 613 Cb 0.10 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.61 3itu h ASP 613 CO -0.02 0.00 -0.13 0.47 -3.12 0.00 0.00 179.24 176.44 3itu n ASP 614 N -2.84 2.54 0.12 6.45 8.00 -0.54 -4.67 116.55 125.61 3itu n ASP 614 Ca -0.02 -1.77 -0.19 0.00 0.71 0.00 0.00 54.79 53.52 3itu n ASP 614 Cb 0.10 0.14 -0.14 0.00 -0.02 0.00 0.00 41.12 41.20 3itu n ASP 614 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 3itu h THR 615 N 3.65 1.40 -0.94 -3.53 1.35 -1.42 -1.37 112.91 112.05 3itu h THR 615 Ca 0.00 -2.86 0.02 0.00 -0.55 0.00 0.00 66.41 63.02 3itu h THR 615 Cb 0.84 2.94 -0.05 0.00 -1.73 0.00 0.00 68.15 70.15 3itu h THR 615 CO 0.00 0.84 0.62 0.28 -0.25 0.00 0.00 175.52 177.01 3itu h SER 616 N 0.12 1.06 -0.95 5.36 0.02 -1.83 0.24 113.55 117.57 3itu h SER 616 Ca -0.18 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.74 3itu h SER 616 Cb 2.02 -0.26 -0.05 0.00 0.14 0.00 0.00 62.40 64.26 3itu h SER 616 CO 0.23 0.76 0.57 -0.03 -1.14 0.00 0.00 176.83 177.22 3itu h MET 617 N 1.25 1.29 -0.86 3.45 -1.53 -1.87 -2.49 114.93 114.16 3itu h MET 617 Ca 0.35 -0.12 -0.02 0.00 -3.44 0.00 0.00 59.70 56.47 3itu h MET 617 Cb -0.11 -0.27 -0.04 0.00 -0.55 0.00 0.00 31.60 30.63 3itu h MET 617 CO -0.09 0.90 0.46 0.00 0.14 0.00 0.00 176.91 178.32 3itu h ALA 618 N 1.31 1.18 -0.37 0.39 0.00 -0.29 0.09 119.26 121.57 3itu h ALA 618 Ca 0.34 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.17 3itu h ALA 618 Cb -0.06 -0.34 -0.05 0.00 0.00 0.00 0.00 17.79 17.34 3itu h ALA 618 CO -0.06 0.65 0.05 0.82 0.00 0.00 0.00 179.25 180.71 3itu h ILE 619 N 1.21 0.78 -0.64 0.00 1.08 -0.56 -0.76 117.51 118.62 3itu h ILE 619 Ca 0.30 -0.06 -0.02 0.00 -0.39 0.00 0.00 64.86 64.69 3itu h ILE 619 Cb 0.05 0.60 -0.03 0.00 -3.07 0.00 0.00 36.82 34.37 3itu h ILE 619 CO -0.05 0.03 0.31 -0.07 -0.69 0.00 0.00 178.15 177.68 3itu h LEU 620 N 0.17 0.84 -0.80 1.44 3.38 -1.01 -0.93 115.31 118.40 3itu h LEU 620 Ca 0.18 -0.13 0.04 0.00 0.09 0.00 0.00 57.88 58.06 3itu h LEU 620 Cb 0.22 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 3itu h LEU 620 CO -0.26 0.74 0.50 0.28 0.09 0.00 0.00 178.44 179.79 3itu h SER 621 N 0.89 0.81 -0.19 -0.43 0.02 -0.43 0.56 113.55 114.77 3itu h SER 621 Ca 0.22 0.01 -0.21 0.00 -0.84 0.00 0.00 61.79 60.97 3itu h SER 621 Cb 0.12 -0.17 0.01 0.00 0.14 0.00 0.00 62.40 62.50 3itu h SER 621 CO -0.03 0.54 -0.69 0.24 -1.14 0.00 0.00 176.83 175.75 3itu h MET 622 N 0.95 0.82 -0.66 3.45 2.86 -0.53 -0.77 114.93 121.05 3itu h MET 622 Ca 0.33 -0.61 -0.00 0.00 -2.06 0.00 0.00 59.70 57.36 3itu h MET 622 Cb 0.07 0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.81 3itu h MET 622 CO -0.14 1.23 0.41 -0.07 1.06 0.00 0.00 176.91 179.40 3itu h LEU 623 N 0.58 0.78 -0.72 1.22 3.38 -0.98 -1.05 115.31 118.52 3itu h LEU 623 Ca -0.03 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 3itu h LEU 623 Cb 1.31 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.84 3itu h LEU 623 CO 0.15 0.60 0.16 -0.61 0.09 0.00 0.00 178.44 178.83 3itu h GLN 624 N 0.89 1.14 0.00 1.13 4.15 -0.76 -2.33 115.11 119.33 3itu h GLN 624 Ca 0.24 -0.28 -0.05 0.00 0.77 0.00 0.00 58.65 59.33 3itu h GLN 624 Cb -0.05 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.49 3itu h GLN 624 CO -0.05 1.01 -0.24 0.22 -1.93 0.00 0.00 178.83 177.84 3itu h ASP 625 N 1.08 0.00 0.14 -0.69 3.58 -0.38 -2.49 116.42 117.66 3itu h ASP 625 Ca 0.22 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.67 3itu h ASP 625 Cb 0.38 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.43 3itu h ASP 625 CO 0.00 0.24 -0.23 0.23 -2.88 0.00 0.00 179.24 176.61 3itu n MET 626 N -3.59 1.12 -2.06 0.28 2.81 -0.47 -4.96 117.12 110.25 3itu n MET 626 Ca -0.01 -0.72 -0.06 0.00 -1.81 0.00 0.00 57.70 55.10 3itu n MET 626 Cb 0.38 -1.49 -0.00 0.00 -0.71 0.00 0.00 33.22 31.40 3itu n MET 626 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 3itu n ASN 627 N -0.32 -2.49 0.04 7.83 5.15 -0.91 -4.93 115.26 119.64 3itu n ASN 627 Ca 0.13 0.00 -0.20 0.00 -0.60 0.00 0.00 54.58 53.92 3itu n ASN 627 Cb 0.38 -1.77 -0.15 0.00 -0.53 0.00 0.00 39.78 37.71 3itu n ASN 627 CO 0.00 0.00 0.00 -0.26 1.40 0.00 0.00 177.26 178.40 3itu h PHE 628 N 0.00 0.52 -1.06 1.20 0.04 -1.73 -0.59 116.94 115.33 3itu h PHE 628 Ca -0.14 -0.38 0.33 0.00 2.80 0.00 0.00 57.97 60.58 3itu h PHE 628 Cb 1.06 -0.02 -0.14 0.00 2.20 0.00 0.00 35.95 39.06 3itu h PHE 628 CO 0.16 1.33 0.63 0.82 -0.60 0.00 0.00 178.31 180.65 3itu h ILE 629 N -0.39 0.31 0.00 -0.55 2.04 -1.89 -2.20 117.51 114.83 3itu h ILE 629 Ca -0.15 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.60 3itu h ILE 629 Cb 1.64 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.70 3itu h ILE 629 CO 0.14 0.06 -0.01 0.78 0.00 0.00 0.00 178.15 179.12 3itu h ASN 630 N 0.31 0.00 -1.31 1.72 2.35 -1.90 0.20 115.58 116.93 3itu h ASN 630 Ca 0.73 0.00 0.38 0.00 -0.55 0.00 0.00 56.30 56.86 3itu h ASN 630 Cb 1.78 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 40.10 3itu h ASN 630 CO -0.53 0.08 1.00 0.59 -1.65 0.00 0.00 177.43 176.92 3itu n ASN 631 N -2.43 0.00 0.00 5.81 3.02 -0.23 -0.35 115.26 121.08 3itu n ASN 631 Ca -0.00 0.68 0.00 0.00 -0.03 0.00 0.00 54.58 55.23 3itu n ASN 631 Cb 0.00 -0.33 0.00 0.00 -0.61 0.00 0.00 39.78 38.85 3itu n ASN 631 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3itu n TYR 632 N -3.26 0.00 -4.25 3.10 4.01 -0.83 -5.03 117.16 110.89 3itu n TYR 632 Ca 0.30 -0.42 -0.37 0.00 -0.16 0.00 0.00 57.90 57.24 3itu n TYR 632 Cb 1.39 -0.04 -0.04 0.00 -0.31 0.00 0.00 39.34 40.34 3itu n TYR 632 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 3itu n LYS 633 N -0.42 -2.50 -1.77 -0.72 4.76 0.53 -4.80 118.16 113.24 3itu n LYS 633 Ca 0.00 0.31 -0.42 0.00 -2.87 0.00 0.00 58.31 55.33 3itu n LYS 633 Cb 0.23 -5.00 -0.03 0.00 -1.84 0.00 0.00 35.03 28.39 3itu n LYS 633 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3itu s ILE 634 N -3.23 2.28 0.19 -0.18 -1.09 0.52 -4.90 121.20 114.79 3itu s ILE 634 Ca 0.75 0.11 -0.33 0.00 -2.23 0.00 0.00 60.65 58.95 3itu s ILE 634 Cb -0.42 -3.07 -0.13 0.00 -1.58 0.00 0.00 42.46 37.26 3itu s ILE 634 CO 0.92 0.01 1.64 -0.67 -1.23 0.00 0.00 174.94 175.61 3itu n ASP 635 N 4.43 3.56 -0.06 3.58 2.03 -1.26 -4.89 116.55 123.94 3itu n ASP 635 Ca 0.16 1.08 -0.11 0.00 0.52 0.00 0.00 54.79 56.44 3itu n ASP 635 Cb 0.37 -1.51 -0.05 0.00 -0.72 0.00 0.00 41.12 39.21 3itu n ASP 635 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3itu h PRO 637 N 0.14 0.52 -0.18 0.00 0.11 -1.94 0.39 132.00 131.04 3itu h PRO 637 Ca 0.06 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 66.06 3itu h PRO 637 Cb 0.30 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.29 3itu h PRO 637 CO 0.00 0.35 -0.21 1.15 -0.21 0.00 0.00 178.00 179.08 3itu h THR 638 N 0.54 1.34 -0.41 -1.15 2.02 -1.59 -0.83 112.91 112.83 3itu h THR 638 Ca 0.24 -1.39 -0.09 0.00 0.77 0.00 0.00 66.41 65.94 3itu h THR 638 Cb 0.28 1.82 -0.01 0.00 -1.74 0.00 0.00 68.15 68.49 3itu h THR 638 CO -0.07 0.42 -0.11 0.25 0.37 0.00 0.00 175.52 176.38 3itu h LEU 639 N 0.12 0.81 -0.11 2.58 5.85 -0.76 0.01 115.31 123.81 3itu h LEU 639 Ca 0.03 -0.37 0.03 0.00 0.84 0.00 0.00 57.88 58.41 3itu h LEU 639 Cb 0.76 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 3itu h LEU 639 CO 0.05 0.99 -0.07 0.00 -0.34 0.00 0.00 178.44 179.07 3itu h ALA 640 N 0.84 0.03 -0.52 1.25 0.00 -0.72 -1.19 119.26 118.95 3itu h ALA 640 Ca 0.10 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.07 3itu h ALA 640 Cb 0.64 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 3itu h ALA 640 CO 0.04 -0.52 0.33 0.00 0.00 0.00 0.00 179.25 179.10 3itu h ARG 641 N -0.07 0.65 -0.17 0.00 3.08 -0.98 -1.88 114.38 115.01 3itu h ARG 641 Ca 0.07 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.10 3itu h ARG 641 Cb 0.17 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 3itu h ARG 641 CO -0.16 0.43 0.05 0.35 -1.07 0.00 0.00 179.97 179.57 3itu h PHE 642 N 0.67 0.08 -0.80 3.04 3.57 -0.65 0.26 116.94 123.11 3itu h PHE 642 Ca 0.20 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.74 3itu h PHE 642 Cb -0.04 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 38.64 3itu h PHE 642 CO -0.05 0.04 0.51 0.00 -2.23 0.00 0.00 178.31 176.58 3itu h LEU 644 N 0.99 0.12 -0.33 0.00 3.38 -1.03 -1.94 115.31 116.50 3itu h LEU 644 Ca 0.32 -0.09 -0.16 0.00 0.09 0.00 0.00 57.88 58.04 3itu h LEU 644 Cb 0.01 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 3itu h LEU 644 CO -0.11 0.88 -0.40 0.24 0.09 0.00 0.00 178.44 179.13 3itu h MET 645 N 0.05 0.86 -0.27 1.13 2.86 -0.17 0.06 114.93 119.46 3itu h MET 645 Ca -0.02 -0.48 0.00 0.00 -2.06 0.00 0.00 59.70 57.14 3itu h MET 645 Cb 1.43 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 33.11 3itu h MET 645 CO 0.12 1.12 0.18 0.28 1.06 0.00 0.00 176.91 179.67 3itu h VAL 646 N 0.65 1.07 -0.43 -2.22 2.07 -0.50 -1.63 116.25 115.26 3itu h VAL 646 Ca 0.04 -0.13 0.06 0.00 0.82 0.00 0.00 66.70 67.49 3itu h VAL 646 Cb 1.00 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 31.39 3itu h VAL 646 CO 0.10 0.07 0.14 0.50 0.02 0.00 0.00 177.57 178.40 3itu h LYS 647 N 0.36 0.30 -0.05 1.57 3.64 -1.15 -1.30 116.57 119.95 3itu h LYS 647 Ca 0.10 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.47 3itu h LYS 647 Cb -0.04 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.71 3itu h LYS 647 CO -0.02 0.20 0.05 -0.22 -2.27 0.00 0.00 179.45 177.18 3itu h LYS 648 N 0.31 0.00 -0.00 1.90 3.64 -0.58 -2.83 116.57 119.00 3itu h LYS 648 Ca 0.20 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 3itu h LYS 648 Cb 0.20 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 3itu h LYS 648 CO -0.22 0.00 -0.00 0.41 -2.27 0.00 0.00 179.45 177.37 3itu n GLY 649 N -1.41 -1.23 3.78 5.01 0.00 -0.49 -4.73 105.19 106.12 3itu n GLY 649 Ca -0.02 -0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 3itu n GLY 649 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3itu s TYR 650 N -2.47 3.59 0.00 1.61 1.51 -1.07 -1.05 117.35 119.47 3itu s TYR 650 Ca 0.32 0.83 0.00 0.00 -1.01 0.00 0.00 57.07 57.20 3itu s TYR 650 Cb 0.21 -2.35 0.00 0.00 -0.11 0.00 0.00 41.96 39.70 3itu s TYR 650 CO 0.45 0.41 0.00 0.54 -1.11 0.00 0.00 175.55 175.83 3itu n ARG 651 N 2.82 0.40 -2.74 -0.62 1.74 -1.26 -4.83 116.66 112.18 3itu n ARG 651 Ca -0.12 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 56.76 3itu n ARG 651 Cb 0.52 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 31.96 3itu n ARG 651 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3itu n ASP 652 N -1.96 3.11 -4.82 0.55 2.03 -1.26 -4.23 116.55 109.96 3itu n ASP 652 Ca 0.00 -3.31 -0.30 0.00 0.52 0.00 0.00 54.79 51.70 3itu n ASP 652 Cb 0.00 -0.53 0.09 0.00 -0.72 0.00 0.00 41.12 39.97 3itu n ASP 652 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3itu s PRO 653 N -3.23 2.00 0.27 -0.67 0.04 -1.26 -4.94 135.00 127.21 3itu s PRO 653 Ca 0.41 0.47 -0.00 0.00 0.04 0.00 0.00 61.00 61.92 3itu s PRO 653 Cb 0.39 -1.92 0.52 0.00 0.04 0.00 0.00 34.50 33.52 3itu s PRO 653 CO -0.10 -1.64 1.81 -1.35 0.04 0.00 0.00 177.00 175.76 3itu h PRO 654 N -1.10 0.81 0.00 0.56 0.11 -1.95 -3.37 132.00 127.06 3itu h PRO 654 Ca -0.47 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 65.44 3itu h PRO 654 Cb 1.29 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 3itu h PRO 654 CO 0.61 0.53 -1.32 0.98 -0.21 0.00 0.00 178.00 178.60 3itu n TYR 655 N -4.72 0.00 -1.47 0.65 9.36 -1.26 -4.84 117.16 114.88 3itu n TYR 655 Ca 0.17 0.00 -0.41 0.00 3.32 0.00 0.00 57.90 60.98 3itu n TYR 655 Cb 0.37 -0.36 -0.02 0.00 -0.63 0.00 0.00 39.34 38.70 3itu n TYR 655 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 3itu n HIS 656 N -3.63 2.85 -4.47 2.98 8.25 -1.26 -4.39 115.22 115.55 3itu n HIS 656 Ca -0.18 -2.61 -0.23 0.00 -0.26 0.00 0.00 57.72 54.43 3itu n HIS 656 Cb 0.54 -2.27 -0.06 0.00 1.12 0.00 0.00 29.99 29.32 3itu n HIS 656 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3itu n ASN 657 N 6.12 1.54 -0.20 0.41 0.23 -1.26 -4.52 115.26 117.58 3itu n ASN 657 Ca 0.54 -2.88 0.00 0.00 -0.53 0.00 0.00 54.58 51.71 3itu n ASN 657 Cb 0.36 0.79 0.09 0.00 -2.08 0.00 0.00 39.78 38.95 3itu n ASN 657 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 3itu h TRP 658 N 1.52 -0.11 -0.62 -2.53 2.91 -1.88 -1.60 115.95 113.64 3itu h TRP 658 Ca -0.29 0.05 0.07 0.00 1.13 0.00 0.00 58.89 59.85 3itu h TRP 658 Cb 1.06 0.14 -0.04 0.00 -0.51 0.00 0.00 29.16 29.81 3itu h TRP 658 CO 0.00 -0.19 0.41 0.52 -1.03 0.00 0.00 178.44 178.15 3itu h MET 659 N 0.09 0.54 0.41 2.65 2.86 -1.95 0.38 114.93 119.90 3itu h MET 659 Ca 0.32 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.90 3itu h MET 659 Cb 0.51 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.05 3itu h MET 659 CO -0.55 0.36 -0.20 1.25 1.06 0.00 0.00 176.91 178.83 3itu h HIS 660 N 0.55 -0.51 -0.74 -0.22 -0.00 -1.50 -1.80 115.15 110.93 3itu h HIS 660 Ca 0.28 -0.01 0.09 0.00 -0.00 0.00 0.00 60.37 60.72 3itu h HIS 660 Cb 0.36 0.17 -0.07 0.00 -0.00 0.00 0.00 27.41 27.87 3itu h HIS 660 CO -0.00 -0.28 0.39 0.00 -0.00 0.00 0.00 177.93 178.04 3itu h ALA 661 N -0.02 1.03 -0.43 5.26 0.00 -0.84 -0.78 119.26 123.47 3itu h ALA 661 Ca -0.06 0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.91 3itu h ALA 661 Cb 0.45 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3itu h ALA 661 CO 0.09 0.01 0.26 0.35 0.00 0.00 0.00 179.25 179.96 3itu h PHE 662 N 0.67 0.49 -0.39 0.00 3.57 -0.28 -1.10 116.94 119.90 3itu h PHE 662 Ca 0.36 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.82 3itu h PHE 662 Cb 0.34 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 3itu h PHE 662 CO -0.09 0.29 0.02 0.77 -2.23 0.00 0.00 178.31 177.06 3itu h SER 663 N 0.52 0.57 -0.30 0.41 0.02 -0.40 0.16 113.55 114.53 3itu h SER 663 Ca 0.17 -0.11 -0.10 0.00 -0.84 0.00 0.00 61.79 60.90 3itu h SER 663 Cb -0.01 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 3itu h SER 663 CO -0.07 0.63 -0.21 0.58 -1.14 0.00 0.00 176.83 176.62 3itu h VAL 664 N 0.58 1.30 -0.40 2.27 2.07 -1.01 -0.88 116.25 120.17 3itu h VAL 664 Ca 0.12 -1.35 -0.04 0.00 0.82 0.00 0.00 66.70 66.26 3itu h VAL 664 Cb 0.35 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 3itu h VAL 664 CO 0.01 0.43 0.09 0.28 0.02 0.00 0.00 177.57 178.40 3itu h SER 665 N 0.42 0.62 -0.79 0.57 0.02 -0.89 -1.75 113.55 111.76 3itu h SER 665 Ca 0.06 -0.24 0.14 0.00 -0.84 0.00 0.00 61.79 60.92 3itu h SER 665 Cb 0.76 -0.16 -0.09 0.00 0.14 0.00 0.00 62.40 63.04 3itu h SER 665 CO 0.06 0.69 0.35 -0.74 -1.14 0.00 0.00 176.83 176.05 3itu h HIS 666 N 0.51 0.61 -0.38 3.45 6.17 -0.48 -1.36 115.15 123.66 3itu h HIS 666 Ca 0.13 0.04 -0.08 0.00 0.71 0.00 0.00 60.37 61.16 3itu h HIS 666 Cb 0.32 -0.15 -0.02 0.00 2.52 0.00 0.00 27.41 30.09 3itu h HIS 666 CO 0.02 0.10 -0.10 0.35 0.71 0.00 0.00 177.93 179.01 3itu h PHE 667 N 0.51 0.71 -0.37 5.26 3.57 -0.37 -0.96 116.94 125.30 3itu h PHE 667 Ca 0.43 -0.12 0.05 0.00 3.53 0.00 0.00 57.97 61.86 3itu h PHE 667 Cb 0.64 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 39.15 3itu h PHE 667 CO -0.14 0.74 0.11 0.00 -2.23 0.00 0.00 178.31 176.79 3itu h TYR 669 N 0.25 0.97 -0.58 0.00 3.20 -0.46 -1.23 116.97 119.12 3itu h TYR 669 Ca 0.17 -0.06 0.07 0.00 3.14 0.00 0.00 58.73 62.05 3itu h TYR 669 Cb 0.17 -0.30 -0.06 0.00 1.54 0.00 0.00 36.73 38.08 3itu h TYR 669 CO -0.16 0.75 0.26 -0.07 -1.64 0.00 0.00 178.16 177.30 3itu h LEU 670 N 0.92 0.33 -0.42 2.82 3.38 -0.22 0.11 115.31 122.22 3itu h LEU 670 Ca 0.22 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.21 3itu h LEU 670 Cb 0.17 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3itu h LEU 670 CO -0.02 0.21 0.12 -0.07 0.09 0.00 0.00 178.44 178.77 3itu h LEU 671 N 0.48 0.63 -0.17 1.67 3.38 -0.51 0.14 115.31 120.92 3itu h LEU 671 Ca 0.28 -0.22 0.05 0.00 0.09 0.00 0.00 57.88 58.09 3itu h LEU 671 Cb 0.27 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 40.79 3itu h LEU 671 CO -0.24 0.68 -0.33 0.22 0.09 0.00 0.00 178.44 178.86 3itu h TYR 672 N 0.54 -0.93 -0.11 1.13 3.20 -0.75 0.39 116.97 120.45 3itu h TYR 672 Ca 0.14 0.04 -0.05 0.00 3.14 0.00 0.00 58.73 62.00 3itu h TYR 672 Cb 0.28 0.43 -0.00 0.00 1.54 0.00 0.00 36.73 38.98 3itu h TYR 672 CO 0.01 -0.41 -0.12 0.87 -1.64 0.00 0.00 178.16 176.88 3itu h LYS 673 N -0.38 0.27 0.00 1.82 1.79 -0.59 -2.46 116.57 117.02 3itu h LYS 673 Ca 0.11 -0.15 -0.22 0.00 -2.18 0.00 0.00 60.65 58.21 3itu h LYS 673 Cb 0.55 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.18 3itu h LYS 673 CO -0.39 0.70 -1.15 -0.91 -1.08 0.00 0.00 179.45 176.61 3itu h ASN 674 N -0.14 0.00 -0.02 0.86 4.21 -0.72 -3.36 115.58 116.41 3itu h ASN 674 Ca 0.01 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.52 3itu h ASN 674 Cb 0.66 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.86 3itu h ASN 674 CO 0.03 0.93 -0.37 0.18 -1.29 0.00 0.00 177.43 176.90 3itu n LEU 675 N -3.23 1.95 -3.50 1.61 4.77 0.12 -4.96 117.00 113.76 3itu n LEU 675 Ca -0.05 -0.79 -0.20 0.00 -0.03 0.00 0.00 56.01 54.95 3itu n LEU 675 Cb 0.94 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 42.09 3itu n LEU 675 CO 0.46 0.36 0.01 -0.62 -1.33 0.00 0.00 177.39 176.27 3itu n GLU 676 N 0.06 -4.12 -0.20 3.23 1.02 -0.94 -4.88 120.64 114.82 3itu n GLU 676 Ca 0.09 0.73 0.30 0.00 -0.02 0.00 0.00 57.16 58.26 3itu n GLU 676 Cb 0.42 -5.41 0.73 0.00 -0.02 0.00 0.00 31.44 27.16 3itu n GLU 676 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3itu h LEU 677 N -1.66 0.00 -1.14 -4.62 3.38 -1.69 -1.04 115.31 108.54 3itu h LEU 677 Ca -0.61 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.36 3itu h LEU 677 Cb 1.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.09 3itu h LEU 677 CO 0.50 0.00 0.00 0.35 0.09 0.00 0.00 178.44 179.38 3itu n THR 678 N -4.08 0.98 1.29 0.22 -2.24 -1.26 -0.65 114.28 108.53 3itu n THR 678 Ca 0.20 0.55 0.13 0.00 -2.27 0.00 0.00 64.05 62.67 3itu n THR 678 Cb 1.07 -1.53 0.46 0.00 -2.10 0.00 0.00 70.33 68.23 3itu n THR 678 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3itu n ASN 679 N -2.24 0.79 -0.02 3.42 3.02 -0.39 -4.35 115.26 115.49 3itu n ASN 679 Ca -0.00 -0.73 -0.02 0.00 -0.03 0.00 0.00 54.58 53.80 3itu n ASN 679 Cb 0.10 0.05 -0.03 0.00 -0.61 0.00 0.00 39.78 39.30 3itu n ASN 679 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3itu n TYR 680 N -0.80 0.00 -4.21 3.10 4.01 0.17 -5.02 117.16 114.40 3itu n TYR 680 Ca 0.13 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.68 3itu n TYR 680 Cb 0.32 -0.20 -0.12 0.00 -0.31 0.00 0.00 39.34 39.04 3itu n TYR 680 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3itu s LEU 681 N -4.43 2.33 0.48 7.72 1.43 -0.34 -4.81 118.68 121.07 3itu s LEU 681 Ca -0.03 -0.70 -0.22 0.00 -1.03 0.00 0.00 54.13 52.16 3itu s LEU 681 Cb 0.01 -0.57 -0.07 0.00 0.03 0.00 0.00 46.19 45.59 3itu s LEU 681 CO 0.16 -0.09 1.13 -1.61 0.23 0.00 0.00 176.35 176.17 3itu s GLU 682 N -2.13 3.67 0.30 1.70 0.41 -1.26 -4.55 118.70 116.84 3itu s GLU 682 Ca 0.03 1.66 0.06 0.00 -0.41 0.00 0.00 54.97 56.31 3itu s GLU 682 Cb -0.08 -2.26 0.76 0.00 -1.78 0.00 0.00 34.13 30.78 3itu s GLU 682 CO 0.03 -0.60 1.76 -0.44 -0.49 0.00 0.00 175.26 175.52 3itu h ASP 683 N 1.77 0.75 0.49 -0.19 3.32 -1.95 0.61 116.42 121.22 3itu h ASP 683 Ca -0.49 0.11 -0.09 0.00 0.02 0.00 0.00 57.03 56.57 3itu h ASP 683 Cb 1.25 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.76 3itu h ASP 683 CO 0.59 0.24 -0.44 -0.29 -1.72 0.00 0.00 179.24 177.62 3itu h ILE 684 N 0.72 1.25 -0.20 0.35 2.10 -1.99 -0.09 117.51 119.65 3itu h ILE 684 Ca 0.59 -1.52 -0.16 0.00 1.08 0.00 0.00 64.86 64.85 3itu h ILE 684 Cb 0.96 1.83 0.00 0.00 -1.09 0.00 0.00 36.82 38.53 3itu h ILE 684 CO -0.40 0.43 -0.51 -0.33 -1.08 0.00 0.00 178.15 176.25 3itu h GLU 685 N 0.00 0.70 -0.31 2.19 5.08 -1.28 -1.02 114.58 119.94 3itu h GLU 685 Ca -0.00 -0.48 -0.07 0.00 -1.00 0.00 0.00 59.36 57.81 3itu h GLU 685 Cb 0.80 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 3itu h GLU 685 CO 0.06 1.10 -0.06 0.82 -1.00 0.00 0.00 179.01 179.93 3itu h ILE 686 N 0.40 1.28 0.03 3.13 2.04 -0.84 0.62 117.51 124.17 3itu h ILE 686 Ca -0.01 -1.10 0.00 0.00 1.00 0.00 0.00 64.86 64.76 3itu h ILE 686 Cb 1.12 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 38.55 3itu h ILE 686 CO 0.11 0.35 -0.04 0.15 0.00 0.00 0.00 178.15 178.73 3itu h PHE 687 N 0.38 -0.10 -0.62 1.37 3.57 -0.99 0.64 116.94 121.19 3itu h PHE 687 Ca 0.08 0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.69 3itu h PHE 687 Cb 0.55 0.04 -0.08 0.00 2.79 0.00 0.00 35.95 39.25 3itu h PHE 687 CO 0.05 -0.06 0.17 0.00 -2.23 0.00 0.00 178.31 176.24 3itu h ALA 688 N 0.89 0.77 -0.22 2.41 0.00 -1.02 -1.32 119.26 120.76 3itu h ALA 688 Ca 0.01 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3itu h ALA 688 Cb 0.09 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3itu h ALA 688 CO -0.02 -0.27 0.11 1.25 0.00 0.00 0.00 179.25 180.32 3itu h LEU 689 N 0.32 0.29 -0.13 0.00 5.85 -0.33 0.56 115.31 121.87 3itu h LEU 689 Ca 0.32 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.94 3itu h LEU 689 Cb 0.46 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 3itu h LEU 689 CO -0.38 0.33 0.02 0.15 -0.34 0.00 0.00 178.44 178.22 3itu h PHE 690 N 0.22 0.03 -0.86 1.25 3.57 -0.52 0.84 116.94 121.46 3itu h PHE 690 Ca 0.08 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 3itu h PHE 690 Cb 0.12 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.83 3itu h PHE 690 CO -0.02 0.01 0.49 0.82 -2.23 0.00 0.00 178.31 177.38 3itu h ILE 691 N 0.07 1.25 -0.75 1.41 1.08 -1.22 -1.08 117.51 118.27 3itu h ILE 691 Ca 0.06 -0.58 -0.01 0.00 -0.39 0.00 0.00 64.86 63.94 3itu h ILE 691 Cb 0.06 0.06 -0.04 0.00 -3.07 0.00 0.00 36.82 33.83 3itu h ILE 691 CO -0.09 0.27 0.42 0.28 -0.69 0.00 0.00 178.15 178.34 3itu h SER 692 N 1.20 0.93 -0.46 1.72 0.02 -0.63 -2.19 113.55 114.14 3itu h SER 692 Ca 0.31 -0.09 0.04 0.00 -0.84 0.00 0.00 61.79 61.21 3itu h SER 692 Cb -0.00 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.26 3itu h SER 692 CO -0.05 0.75 0.21 0.00 -1.14 0.00 0.00 176.83 176.60 3itu h MET 694 N 0.43 0.57 -0.01 0.00 2.07 -0.75 -3.16 114.93 114.07 3itu h MET 694 Ca 0.20 -0.03 0.00 0.00 -2.07 0.00 0.00 59.70 57.80 3itu h MET 694 Cb 0.14 -0.13 0.00 0.00 -1.87 0.00 0.00 31.60 29.74 3itu h MET 694 CO -0.16 0.38 -0.44 0.00 1.07 0.00 0.00 176.91 177.76 3itu n HIS 696 N -0.76 0.51 -1.35 0.00 1.44 0.18 -1.93 115.22 113.31 3itu n HIS 696 Ca 0.09 0.18 0.08 0.00 -2.01 0.00 0.00 57.72 56.06 3itu n HIS 696 Cb 0.37 -0.79 0.14 0.00 0.12 0.00 0.00 29.99 29.83 3itu n HIS 696 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 3itu n ASP 697 N -1.95 1.91 -4.62 4.39 8.00 -1.26 -4.83 116.55 118.19 3itu n ASP 697 Ca 0.04 -3.16 -0.48 0.00 0.71 0.00 0.00 54.79 51.90 3itu n ASP 697 Cb 0.29 -0.43 -0.04 0.00 -0.02 0.00 0.00 41.12 40.91 3itu n ASP 697 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3itu n LEU 698 N -1.14 2.26 -0.73 0.64 4.77 -0.81 -1.51 117.00 120.47 3itu n LEU 698 Ca 0.15 1.12 -0.10 0.00 -0.03 0.00 0.00 56.01 57.16 3itu n LEU 698 Cb 0.68 -1.30 -0.04 0.00 -2.33 0.00 0.00 43.42 40.43 3itu n LEU 698 CO -0.01 -0.82 -0.09 -0.67 -1.33 0.00 0.00 177.39 174.48 3itu n ASP 699 N 2.52 -4.46 -4.71 -1.43 2.03 -0.22 -4.43 116.55 105.85 3itu n ASP 699 Ca 0.16 0.24 -0.42 0.00 0.52 0.00 0.00 54.79 55.28 3itu n ASP 699 Cb 0.25 -2.80 -0.01 0.00 -0.72 0.00 0.00 41.12 37.84 3itu n ASP 699 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 3itu n HIS 700 N -2.62 2.39 -0.79 -0.67 -0.00 -0.57 -4.88 115.22 108.08 3itu n HIS 700 Ca -0.10 0.51 0.08 0.00 -0.00 0.00 0.00 57.72 58.22 3itu n HIS 700 Cb 0.37 -2.44 0.22 0.00 -0.00 0.00 0.00 29.99 28.13 3itu n HIS 700 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 3itu n ARG 701 N 0.75 2.81 -1.08 1.57 3.00 -1.26 -4.35 116.66 118.10 3itu n ARG 701 Ca 0.05 -2.61 -0.03 0.00 -0.01 0.00 0.00 57.85 55.25 3itu n ARG 701 Cb 0.36 -1.67 -0.01 0.00 0.00 0.00 0.00 32.46 31.14 3itu n ARG 701 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3itu n GLY 702 N -0.34 0.59 3.27 -0.13 0.00 -1.26 -4.93 105.19 102.39 3itu n GLY 702 Ca 0.18 -0.80 -0.24 0.00 0.00 0.00 0.00 46.02 45.16 3itu n GLY 702 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3itu s THR 703 N -2.08 1.67 0.36 2.61 -4.23 -1.26 -4.65 115.64 108.06 3itu s THR 703 Ca 0.00 -1.42 0.01 0.00 -1.18 0.00 0.00 61.69 59.10 3itu s THR 703 Cb 0.00 -1.50 0.07 0.00 1.34 0.00 0.00 72.50 72.41 3itu s THR 703 CO 0.00 0.02 0.49 -0.46 -0.54 0.00 0.00 174.62 174.13 3itu n ASN 704 N 1.34 0.83 -0.08 3.99 6.94 -1.26 -4.93 115.26 122.08 3itu n ASN 704 Ca -0.19 -1.66 -0.08 0.00 -0.02 0.00 0.00 54.58 52.64 3itu n ASN 704 Cb 0.53 -0.30 0.09 0.00 -2.36 0.00 0.00 39.78 37.74 3itu n ASN 704 CO 0.00 0.00 0.00 0.78 -1.03 0.00 0.00 177.26 177.01 3itu h ASN 705 N -0.20 0.77 -0.83 0.53 2.35 -2.00 -2.71 115.58 113.48 3itu h ASN 705 Ca -0.16 -0.28 -0.01 0.00 -0.55 0.00 0.00 56.30 55.30 3itu h ASN 705 Cb 0.64 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.76 3itu h ASN 705 CO 0.19 0.98 0.49 -1.28 -1.65 0.00 0.00 177.43 176.16 3itu h SER 706 N 0.66 1.01 -0.72 5.81 0.87 -2.00 -1.12 113.55 118.06 3itu h SER 706 Ca 0.09 -0.07 0.04 0.00 -1.23 0.00 0.00 61.79 60.61 3itu h SER 706 Cb 0.75 -0.26 -0.05 0.00 -0.44 0.00 0.00 62.40 62.40 3itu h SER 706 CO 0.06 0.79 0.44 0.15 -0.53 0.00 0.00 176.83 177.74 3itu h PHE 707 N 1.15 0.82 -0.46 2.24 3.57 -1.86 -1.16 116.94 121.23 3itu h PHE 707 Ca 0.30 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.87 3itu h PHE 707 Cb -0.02 -0.26 -0.04 0.00 2.79 0.00 0.00 35.95 38.41 3itu h PHE 707 CO -0.00 0.44 0.21 1.96 -2.23 0.00 0.00 178.31 178.69 3itu h GLN 708 N 0.84 0.40 0.28 1.11 1.08 -0.91 -1.65 115.11 116.27 3itu h GLN 708 Ca 0.30 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.46 3itu h GLN 708 Cb 0.08 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.42 3itu h GLN 708 CO -0.13 0.27 -0.13 0.28 -0.95 0.00 0.00 178.83 178.16 3itu h VAL 709 N 0.42 0.76 0.05 -0.54 2.07 -1.31 -1.22 116.25 116.48 3itu h VAL 709 Ca 0.20 -0.41 0.02 0.00 0.82 0.00 0.00 66.70 67.33 3itu h VAL 709 Cb 0.14 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 3itu h VAL 709 CO -0.16 0.09 -0.19 0.00 0.02 0.00 0.00 177.57 177.32 3itu h ALA 710 N 0.05 -0.28 0.00 1.67 0.00 -1.16 -2.59 119.26 116.95 3itu h ALA 710 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3itu h ALA 710 Cb 0.43 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3itu h ALA 710 CO 0.06 -0.70 0.00 -1.13 0.00 0.00 0.00 179.25 177.48 3itu n SER 711 N -5.32 0.00 -3.86 0.00 3.41 -0.63 -4.92 113.62 102.30 3itu n SER 711 Ca -0.06 -0.63 -0.27 0.00 -0.26 0.00 0.00 58.87 57.65 3itu n SER 711 Cb 0.24 -0.03 0.02 0.00 -0.26 0.00 0.00 64.21 64.18 3itu n SER 711 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3itu n LYS 712 N -1.03 -5.09 -0.76 4.33 5.02 -0.92 -4.93 118.16 114.77 3itu n LYS 712 Ca 0.16 0.58 -0.30 0.00 -2.02 0.00 0.00 58.31 56.73 3itu n LYS 712 Cb 0.09 -5.31 0.17 0.00 -0.02 0.00 0.00 35.03 29.96 3itu n LYS 712 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3itu s SER 713 N -3.72 2.75 0.39 4.39 1.04 -0.51 -4.81 113.70 113.23 3itu s SER 713 Ca 0.41 1.97 0.10 0.00 0.48 0.00 0.00 55.95 58.91 3itu s SER 713 Cb -0.21 -2.49 0.89 0.00 0.10 0.00 0.00 66.02 64.32 3itu s SER 713 CO 0.83 -3.17 1.94 -0.37 0.98 0.00 0.00 173.24 173.45 3itu h VAL 714 N -1.92 0.92 -0.30 5.02 -1.51 -1.91 -1.66 116.25 114.88 3itu h VAL 714 Ca -0.47 -0.20 -0.06 0.00 -1.23 0.00 0.00 66.70 64.74 3itu h VAL 714 Cb 1.28 0.28 -0.01 0.00 -2.13 0.00 0.00 31.29 30.70 3itu h VAL 714 CO 0.45 0.11 -0.04 -0.07 -1.23 0.00 0.00 177.57 176.79 3itu h LEU 715 N 0.59 0.56 -2.09 4.19 3.38 -1.93 -1.32 115.31 118.69 3itu h LEU 715 Ca 0.33 -0.34 0.01 0.00 0.09 0.00 0.00 57.88 57.97 3itu h LEU 715 Cb 0.51 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 3itu h LEU 715 CO -0.12 0.77 0.02 0.00 0.09 0.00 0.00 178.44 179.21 3itu h ALA 716 N 0.81 1.93 -0.25 1.53 0.00 -1.72 -0.92 119.26 120.63 3itu h ALA 716 Ca 0.08 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.81 3itu h ALA 716 Cb 0.51 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 3itu h ALA 716 CO 0.02 -0.04 -0.56 0.00 0.00 0.00 0.00 179.25 178.67 3itu h ALA 717 N 1.98 0.52 0.06 0.00 0.00 -0.50 -3.15 119.26 118.17 3itu h ALA 717 Ca 0.01 -0.52 -0.12 0.00 0.00 0.00 0.00 54.91 54.29 3itu h ALA 717 Cb 0.06 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.78 3itu h ALA 717 CO -0.00 0.68 -0.50 -0.07 0.00 0.00 0.00 179.25 179.37 3itu h LEU 718 N 0.60 0.32 -6.69 0.00 -0.00 -1.10 -3.38 115.31 105.06 3itu h LEU 718 Ca 0.01 -0.91 -0.73 0.00 -0.00 0.00 0.00 57.88 56.25 3itu h LEU 718 Cb 1.16 -0.10 -0.33 0.00 -0.00 0.00 0.00 40.66 41.38 3itu h LEU 718 CO 0.12 1.20 0.25 -1.22 -0.00 0.00 0.00 178.44 178.79 3itu n TYR 719 N -4.32 2.90 -2.51 1.13 4.02 -0.37 -5.13 117.16 112.89 3itu n TYR 719 Ca -0.12 -3.24 -0.41 0.00 -0.01 0.00 0.00 57.90 54.12 3itu n TYR 719 Cb 0.67 -1.01 0.01 0.00 -0.02 0.00 0.00 39.34 38.98 3itu n TYR 719 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3itu n SER 720 N 1.22 7.00 -2.25 7.72 3.41 -1.19 -4.68 113.62 124.85 3itu n SER 720 Ca 0.27 -3.40 0.00 0.00 -0.26 0.00 0.00 58.87 55.48 3itu n SER 720 Cb 0.36 -1.29 0.00 0.00 -0.26 0.00 0.00 64.21 63.03 3itu n SER 720 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3itu n SER 724 N 1.28 0.00 0.14 4.04 7.64 -1.26 -5.11 113.62 120.34 3itu n SER 724 Ca 0.45 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 60.20 3itu n SER 724 Cb 0.29 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.42 3itu n SER 724 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3itu h VAL 725 N 1.47 0.66 -0.38 0.44 2.07 -1.92 -1.04 116.25 117.54 3itu h VAL 725 Ca 0.00 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.43 3itu h VAL 725 Cb 0.00 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 3itu h VAL 725 CO 0.00 0.00 -0.12 0.24 0.02 0.00 0.00 177.57 177.71 3itu h MET 726 N -0.36 0.68 -0.55 1.57 0.00 -1.93 -2.01 114.93 112.33 3itu h MET 726 Ca -0.01 -0.22 -0.07 0.00 0.00 0.00 0.00 59.70 59.40 3itu h MET 726 Cb 0.33 -0.06 -0.02 0.00 0.00 0.00 0.00 31.60 31.84 3itu h MET 726 CO -0.02 0.78 0.05 0.93 0.00 0.00 0.00 176.91 178.65 3itu h GLU 727 N 0.62 0.92 -0.51 1.72 3.07 -1.84 0.45 114.58 119.01 3itu h GLU 727 Ca 0.11 -0.24 -0.05 0.00 -0.50 0.00 0.00 59.36 58.67 3itu h GLU 727 Cb 0.57 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.34 3itu h GLU 727 CO 0.04 0.88 0.10 0.00 -1.40 0.00 0.00 179.01 178.62 3itu h ARG 728 N 0.86 0.80 -0.42 2.33 2.47 -0.93 -0.90 114.38 118.58 3itu h ARG 728 Ca 0.17 -0.17 -0.15 0.00 -1.26 0.00 0.00 59.98 58.57 3itu h ARG 728 Cb 0.44 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 28.64 3itu h ARG 728 CO 0.02 0.74 -0.32 1.25 0.56 0.00 0.00 179.97 182.22 3itu h HIS 729 N 0.77 1.14 -0.55 3.04 2.76 -0.43 -1.04 115.15 120.83 3itu h HIS 729 Ca 0.17 -0.32 -0.07 0.00 -2.20 0.00 0.00 60.37 57.95 3itu h HIS 729 Cb 0.32 -0.25 -0.02 0.00 1.55 0.00 0.00 27.41 29.01 3itu h HIS 729 CO 0.02 1.15 0.07 0.45 -1.30 0.00 0.00 177.93 178.32 3itu h HIS 730 N 0.80 0.94 -0.52 5.26 3.86 0.48 -1.05 115.15 124.93 3itu h HIS 730 Ca 0.08 -0.12 -0.04 0.00 -1.16 0.00 0.00 60.37 59.13 3itu h HIS 730 Cb 0.91 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 29.09 3itu h HIS 730 CO 0.06 0.82 0.16 0.35 0.86 0.00 0.00 177.93 180.18 3itu h PHE 731 N 0.84 0.83 -0.43 2.45 3.57 -1.11 -1.75 116.94 121.34 3itu h PHE 731 Ca 0.17 -0.08 0.06 0.00 3.53 0.00 0.00 57.97 61.65 3itu h PHE 731 Cb 0.40 -0.24 -0.05 0.00 2.79 0.00 0.00 35.95 38.84 3itu h PHE 731 CO 0.02 0.72 0.12 0.00 -2.23 0.00 0.00 178.31 176.94 3itu h ALA 732 N 1.02 0.49 -0.79 2.41 0.00 -0.44 -0.21 119.26 121.75 3itu h ALA 732 Ca 0.17 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 3itu h ALA 732 Cb 0.27 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 3itu h ALA 732 CO -0.01 -0.28 0.41 1.96 0.00 0.00 0.00 179.25 181.34 3itu h GLN 733 N 0.26 1.11 -0.24 0.00 1.08 -1.02 0.76 115.11 117.06 3itu h GLN 733 Ca 0.21 -0.14 -0.03 0.00 -1.45 0.00 0.00 58.65 57.25 3itu h GLN 733 Cb 0.23 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 27.44 3itu h GLN 733 CO -0.24 0.82 0.05 0.00 -0.95 0.00 0.00 178.83 178.51 3itu h ALA 734 N 1.35 0.32 -0.61 3.87 0.00 -0.70 -1.57 119.26 121.91 3itu h ALA 734 Ca 0.28 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 55.04 3itu h ALA 734 Cb 0.06 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3itu h ALA 734 CO -0.04 -0.01 0.38 0.82 0.00 0.00 0.00 179.25 180.40 3itu h ILE 735 N 0.21 1.08 -0.81 0.00 1.08 -0.84 -1.44 117.51 116.79 3itu h ILE 735 Ca 0.07 -0.26 0.01 0.00 -0.39 0.00 0.00 64.86 64.29 3itu h ILE 735 Cb 0.31 0.26 -0.04 0.00 -3.07 0.00 0.00 36.82 34.28 3itu h ILE 735 CO 0.00 0.14 0.53 0.00 -0.69 0.00 0.00 178.15 178.13 3itu h ALA 736 N 1.27 1.42 -0.07 1.87 0.00 -0.61 0.14 119.26 123.27 3itu h ALA 736 Ca 0.25 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3itu h ALA 736 Cb 0.02 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 3itu h ALA 736 CO -0.10 0.54 -0.05 0.82 0.00 0.00 0.00 179.25 180.46 3itu h ILE 737 N 1.10 1.35 -0.62 0.00 2.04 -0.79 -2.62 117.51 117.97 3itu h ILE 737 Ca 0.30 -1.14 0.08 0.00 1.00 0.00 0.00 64.86 65.09 3itu h ILE 737 Cb -0.12 1.97 -0.04 0.00 -0.74 0.00 0.00 36.82 37.89 3itu h ILE 737 CO -0.06 0.32 0.41 -0.07 0.00 0.00 0.00 178.15 178.74 3itu h LEU 738 N -0.26 0.47 -0.12 1.44 3.38 -0.88 -0.83 115.31 118.52 3itu h LEU 738 Ca 0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3itu h LEU 738 Cb 0.53 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3itu h LEU 738 CO 0.01 0.30 -0.01 0.59 0.09 0.00 0.00 178.44 179.42 3itu n ASN 739 N -4.48 0.20 -4.77 -0.43 3.02 0.44 -3.53 115.26 105.71 3itu n ASN 739 Ca 0.09 -0.86 -0.38 0.00 -0.03 0.00 0.00 54.58 53.40 3itu n ASN 739 Cb 0.30 -0.06 -0.06 0.00 -0.61 0.00 0.00 39.78 39.35 3itu n ASN 739 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3itu s THR 740 N -2.15 4.20 0.11 3.41 2.01 -0.32 -4.96 115.64 117.95 3itu s THR 740 Ca 0.42 1.87 -0.32 0.00 0.31 0.00 0.00 61.69 63.97 3itu s THR 740 Cb 0.21 -4.14 -0.12 0.00 0.01 0.00 0.00 72.50 68.46 3itu s THR 740 CO 0.39 0.34 1.78 1.57 -0.69 0.00 0.00 174.62 178.02 3itu n HIS 741 N 1.08 2.53 -0.12 4.92 -0.00 -1.26 -1.54 115.22 120.83 3itu n HIS 741 Ca -0.01 -0.03 0.00 0.00 0.46 0.00 0.00 57.72 58.14 3itu n HIS 741 Cb 0.49 -2.68 0.00 0.00 -0.12 0.00 0.00 29.99 27.68 3itu n HIS 741 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3itu n GLY 742 N 4.06 0.61 0.00 1.57 0.00 -1.26 -4.90 105.19 105.27 3itu n GLY 742 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3itu n GLY 742 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3itu s ASN 744 N -0.39 6.64 0.00 0.00 3.84 -1.23 -4.56 114.94 119.23 3itu s ASN 744 Ca 0.00 -1.91 0.13 0.00 0.21 0.00 0.00 52.86 51.30 3itu s ASN 744 Cb 0.00 -2.51 0.73 0.00 -0.55 0.00 0.00 41.25 38.93 3itu s ASN 744 CO 0.00 -1.26 1.29 2.30 -2.79 0.00 0.00 177.10 176.64 3itu n ILE 745 N 6.21 0.34 0.33 -5.21 -5.35 -1.26 -2.29 119.36 112.14 3itu n ILE 745 Ca 0.33 0.09 0.10 0.00 -0.27 0.00 0.00 62.75 62.99 3itu n ILE 745 Cb 0.49 -0.87 0.16 0.00 -1.74 0.00 0.00 39.64 37.68 3itu n ILE 745 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 3itu n PHE 746 N -1.15 0.35 -0.03 4.28 3.72 -1.26 -4.61 117.46 118.76 3itu n PHE 746 Ca 0.08 -0.21 0.23 0.00 -0.05 0.00 0.00 57.45 57.50 3itu n PHE 746 Cb 0.08 -0.00 0.72 0.00 -0.94 0.00 0.00 39.48 39.33 3itu n PHE 746 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 3itu h ASP 747 N 3.73 0.00 0.58 4.37 3.58 -1.86 -1.80 116.42 125.01 3itu h ASP 747 Ca 0.00 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.40 3itu h ASP 747 Cb 0.86 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.90 3itu h ASP 747 CO 0.00 0.00 -0.24 1.12 -2.88 0.00 0.00 179.24 177.24 3itu h HIS 748 N 0.00 0.00 -4.16 0.28 2.07 -1.86 -3.45 115.15 108.03 3itu h HIS 748 Ca 0.29 0.00 -0.47 0.00 -2.85 0.00 0.00 60.37 57.35 3itu h HIS 748 Cb 1.27 0.00 0.02 0.00 2.57 0.00 0.00 27.41 31.27 3itu h HIS 748 CO 0.00 0.24 0.37 -0.06 -3.07 0.00 0.00 177.93 175.41 3itu s PHE 749 N -3.97 3.32 0.96 6.12 0.08 -0.68 -5.04 117.98 118.77 3itu s PHE 749 Ca -0.02 1.51 -0.11 0.00 0.12 0.00 0.00 56.93 58.43 3itu s PHE 749 Cb 0.12 -2.86 0.17 0.00 -0.57 0.00 0.00 43.02 39.88 3itu s PHE 749 CO 0.64 -0.46 1.09 -1.54 -0.10 0.00 0.00 175.22 174.85 3itu s SER 750 N -2.75 2.77 0.26 1.36 1.04 -1.26 -4.68 113.70 110.44 3itu s SER 750 Ca 0.61 1.66 -0.02 0.00 0.48 0.00 0.00 55.95 58.68 3itu s SER 750 Cb -0.11 -2.30 0.51 0.00 0.10 0.00 0.00 66.02 64.22 3itu s SER 750 CO 0.27 -3.11 1.76 0.08 0.98 0.00 0.00 173.24 173.23 3itu h ARG 751 N -1.87 0.61 0.06 4.02 0.11 -1.98 0.22 114.38 115.55 3itu h ARG 751 Ca -0.51 -0.04 -0.00 0.00 0.10 0.00 0.00 59.98 59.53 3itu h ARG 751 Cb 1.29 -0.14 0.00 0.00 1.11 0.00 0.00 29.97 32.23 3itu h ARG 751 CO 0.51 0.40 -0.03 -0.22 0.10 0.00 0.00 179.97 180.73 3itu h LYS 752 N 0.62 -0.08 -0.16 0.08 3.64 -2.00 -1.55 116.57 117.13 3itu h LYS 752 Ca 0.45 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.77 3itu h LYS 752 Cb 0.62 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 3itu h LYS 752 CO -0.35 0.09 -0.19 -0.44 -2.27 0.00 0.00 179.45 176.29 3itu h ASP 753 N -0.23 0.25 -0.28 4.20 3.32 -1.78 -1.34 116.42 120.57 3itu h ASP 753 Ca -0.01 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 3itu h ASP 753 Cb 0.20 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 3itu h ASP 753 CO 0.01 0.46 0.14 0.22 -1.72 0.00 0.00 179.24 178.35 3itu h TYR 754 N 0.25 0.39 -0.68 4.55 3.20 -0.37 0.36 116.97 124.67 3itu h TYR 754 Ca 0.05 -0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.94 3itu h TYR 754 Cb 0.48 -0.12 -0.05 0.00 1.54 0.00 0.00 36.73 38.58 3itu h TYR 754 CO 0.01 0.36 0.41 1.96 -1.64 0.00 0.00 178.16 179.25 3itu h GLN 755 N 0.32 0.76 -0.92 1.82 1.08 -1.06 -1.17 115.11 115.93 3itu h GLN 755 Ca 0.10 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.24 3itu h GLN 755 Cb 0.10 -0.17 -0.04 0.00 -0.05 0.00 0.00 27.48 27.32 3itu h GLN 755 CO -0.01 0.50 0.53 -0.09 -0.95 0.00 0.00 178.83 178.80 3itu h ARG 756 N 0.78 1.27 -0.22 1.46 2.43 -0.75 0.04 114.38 119.38 3itu h ARG 756 Ca 0.29 -0.13 -0.05 0.00 -0.81 0.00 0.00 59.98 59.28 3itu h ARG 756 Cb 0.09 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 3itu h ARG 756 CO -0.14 0.91 -0.04 1.98 -1.51 0.00 0.00 179.97 181.17 3itu h MET 757 N 1.28 0.42 -0.80 0.20 4.05 -0.50 -0.23 114.93 119.34 3itu h MET 757 Ca 0.33 -0.15 -0.02 0.00 -0.28 0.00 0.00 59.70 59.57 3itu h MET 757 Cb -0.01 -0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 30.73 3itu h MET 757 CO -0.06 0.65 0.44 -0.07 0.23 0.00 0.00 176.91 178.10 3itu h LEU 758 N 0.15 1.01 -0.62 3.39 3.38 -0.93 0.25 115.31 121.94 3itu h LEU 758 Ca 0.06 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 3itu h LEU 758 Cb 0.49 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3itu h LEU 758 CO 0.02 0.82 -0.02 0.44 0.09 0.00 0.00 178.44 179.79 3itu h ASP 759 N 1.12 1.06 0.04 -0.43 3.32 -0.79 -0.44 116.42 120.30 3itu h ASP 759 Ca 0.28 -0.31 0.01 0.00 0.02 0.00 0.00 57.03 57.03 3itu h ASP 759 Cb 0.04 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 3itu h ASP 759 CO -0.04 1.11 -0.06 -0.07 -1.72 0.00 0.00 179.24 178.46 3itu h LEU 760 N 0.98 -0.16 -1.23 1.55 3.38 -0.88 -1.38 115.31 117.57 3itu h LEU 760 Ca 0.17 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.17 3itu h LEU 760 Cb 0.58 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 3itu h LEU 760 CO 0.03 -0.09 0.52 0.24 0.09 0.00 0.00 178.44 179.24 3itu h MET 761 N -0.12 1.02 -0.36 1.13 2.86 -0.66 0.17 114.93 118.97 3itu h MET 761 Ca 0.01 -0.06 -0.10 0.00 -2.06 0.00 0.00 59.70 57.49 3itu h MET 761 Cb 0.13 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 3itu h MET 761 CO -0.04 0.68 -0.17 -0.09 1.06 0.00 0.00 176.91 178.35 3itu h ARG 762 N 1.05 0.76 -0.57 1.72 2.43 -0.88 0.09 114.38 118.98 3itu h ARG 762 Ca 0.30 -0.33 -0.11 0.00 -0.81 0.00 0.00 59.98 59.03 3itu h ARG 762 Cb -0.09 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 3itu h ARG 762 CO -0.07 0.94 -0.07 -0.44 -1.51 0.00 0.00 179.97 178.83 3itu h ASP 763 N 0.54 1.04 -0.25 -3.80 3.32 -0.63 0.19 116.42 116.84 3itu h ASP 763 Ca 0.08 -0.33 -0.11 0.00 0.02 0.00 0.00 57.03 56.69 3itu h ASP 763 Cb 0.72 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.98 3itu h ASP 763 CO 0.05 1.13 -0.27 0.40 -1.72 0.00 0.00 179.24 178.83 3itu h ILE 764 N 0.93 1.31 -0.33 0.35 2.04 -0.57 -0.82 117.51 120.43 3itu h ILE 764 Ca 0.15 -1.44 -0.12 0.00 1.00 0.00 0.00 64.86 64.45 3itu h ILE 764 Cb 0.63 1.67 -0.01 0.00 -0.74 0.00 0.00 36.82 38.38 3itu h ILE 764 CO 0.04 0.45 -0.30 0.40 0.00 0.00 0.00 178.15 178.75 3itu h ILE 765 N 0.33 1.28 0.00 -0.67 2.04 -0.80 -2.11 117.51 117.58 3itu h ILE 765 Ca 0.04 -1.42 -0.06 0.00 1.00 0.00 0.00 64.86 64.42 3itu h ILE 765 Cb 0.83 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 38.25 3itu h ILE 765 CO 0.07 0.46 -0.27 -0.07 0.00 0.00 0.00 178.15 178.34 3itu h LEU 766 N 0.60 0.00 -1.53 1.44 3.38 -0.74 -1.70 115.31 116.76 3itu h LEU 766 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3itu h LEU 766 Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 3itu h LEU 766 CO 0.07 0.27 0.00 0.00 0.09 0.00 0.00 178.44 178.87 3itu h ALA 767 N 1.73 1.00 0.00 1.53 0.00 -0.44 -2.29 119.26 120.79 3itu h ALA 767 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3itu h ALA 767 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3itu h ALA 767 CO 0.04 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.54 3itu n THR 768 N -2.65 0.43 -2.09 0.00 -2.24 -0.64 -4.43 114.28 102.65 3itu n THR 768 Ca -0.00 0.11 -0.43 0.00 -2.27 0.00 0.00 64.05 61.46 3itu n THR 768 Cb 0.18 -0.72 -0.03 0.00 -2.10 0.00 0.00 70.33 67.67 3itu n THR 768 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3itu s ASP 769 N -2.98 6.51 0.62 3.42 -1.08 -0.86 -4.90 116.67 117.39 3itu s ASP 769 Ca 0.11 1.85 0.37 0.00 -0.52 0.00 0.00 52.55 54.36 3itu s ASP 769 Cb 0.15 -2.53 2.03 0.00 -1.46 0.00 0.00 42.92 41.11 3itu s ASP 769 CO 0.41 -1.11 2.27 -0.07 0.52 0.00 0.00 175.17 177.19 3itu h LEU 770 N 11.08 0.00 -0.69 -1.34 3.38 -1.90 0.31 115.31 126.15 3itu h LEU 770 Ca -0.35 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.56 3itu h LEU 770 Cb 1.16 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.88 3itu h LEU 770 CO 0.98 0.02 0.21 0.00 0.09 0.00 0.00 178.44 179.73 3itu h ALA 771 N 1.98 0.91 -0.52 1.53 0.00 -1.94 -0.81 119.26 120.41 3itu h ALA 771 Ca -0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 3itu h ALA 771 Cb 0.08 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3itu h ALA 771 CO 0.00 0.59 0.29 1.25 0.00 0.00 0.00 179.25 181.38 3itu h HIS 772 N 1.02 0.71 -0.49 0.00 -0.00 -1.25 -1.45 115.15 113.69 3itu h HIS 772 Ca 0.22 -0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.58 3itu h HIS 772 Cb 0.32 -0.23 -0.02 0.00 -0.00 0.00 0.00 27.41 27.47 3itu h HIS 772 CO 0.02 0.52 0.32 1.25 -0.00 0.00 0.00 177.93 180.04 3itu h HIS 773 N 0.69 0.63 -0.95 5.26 6.17 -1.14 -0.82 115.15 124.99 3itu h HIS 773 Ca 0.18 0.01 0.05 0.00 0.71 0.00 0.00 60.37 61.32 3itu h HIS 773 Cb 0.04 -0.21 -0.06 0.00 2.52 0.00 0.00 27.41 29.70 3itu h HIS 773 CO -0.02 0.40 0.62 -0.07 0.71 0.00 0.00 177.93 179.58 3itu h LEU 774 N 0.66 1.00 -0.86 0.26 3.38 -1.01 0.27 115.31 119.02 3itu h LEU 774 Ca 0.18 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 3itu h LEU 774 Cb -0.06 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.43 3itu h LEU 774 CO -0.04 0.67 0.54 0.03 0.09 0.00 0.00 178.44 179.73 3itu h ARG 775 N 1.15 1.16 -0.10 1.13 3.08 -0.34 -3.09 114.38 117.37 3itu h ARG 775 Ca 0.39 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.35 3itu h ARG 775 Cb 0.09 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 29.89 3itu h ARG 775 CO -0.13 0.80 0.00 0.44 -1.07 0.00 0.00 179.97 180.01 3itu n ILE 776 N -4.44 0.11 -0.19 2.04 -5.35 -0.40 -4.55 119.36 106.58 3itu n ILE 776 Ca 0.09 -0.41 -0.04 0.00 -0.27 0.00 0.00 62.75 62.13 3itu n ILE 776 Cb 0.04 0.80 0.06 0.00 -1.74 0.00 0.00 39.64 38.81 3itu n ILE 776 CO 0.00 0.00 0.00 0.15 -1.76 0.00 0.00 176.55 174.94 3itu h PHE 777 N 3.24 0.56 -0.95 4.28 3.57 -0.88 0.78 116.94 127.54 3itu h PHE 777 Ca 0.00 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.57 3itu h PHE 777 Cb 0.70 -0.17 -0.06 0.00 2.79 0.00 0.00 35.95 39.21 3itu h PHE 777 CO 0.06 0.28 0.62 0.87 -2.23 0.00 0.00 178.31 177.91 3itu h LYS 778 N 0.58 1.13 -0.38 1.11 1.57 -1.81 0.12 116.57 118.88 3itu h LYS 778 Ca 0.24 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 58.84 3itu h LYS 778 Cb 0.12 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 3itu h LYS 778 CO -0.15 0.75 -0.23 -0.44 -0.57 0.00 0.00 179.45 178.81 3itu h ASP 779 N 1.16 0.77 -0.27 0.86 3.32 -1.55 0.34 116.42 121.06 3itu h ASP 779 Ca 0.39 -0.28 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 3itu h ASP 779 Cb 0.07 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 3itu h ASP 779 CO -0.13 0.97 0.13 -0.07 -1.72 0.00 0.00 179.24 178.42 3itu h LEU 780 N 0.66 0.35 -0.64 1.55 3.38 0.13 -1.71 115.31 119.02 3itu h LEU 780 Ca 0.09 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 57.95 3itu h LEU 780 Cb 0.73 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 3itu h LEU 780 CO 0.06 0.38 0.41 1.56 0.09 0.00 0.00 178.44 180.94 3itu h GLN 781 N 0.29 0.81 -0.65 1.13 4.20 -0.47 -0.94 115.11 119.48 3itu h GLN 781 Ca 0.09 -0.05 0.03 0.00 0.06 0.00 0.00 58.65 58.79 3itu h GLN 781 Cb 0.12 -0.18 -0.04 0.00 0.30 0.00 0.00 27.48 27.68 3itu h GLN 781 CO -0.01 0.53 0.39 0.87 -0.67 0.00 0.00 178.83 179.95 3itu h LYS 782 N 0.83 0.74 -0.86 1.46 1.57 -0.82 -1.03 116.57 118.46 3itu h LYS 782 Ca 0.25 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.97 3itu h LYS 782 Cb -0.05 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.06 3itu h LYS 782 CO -0.07 0.49 0.49 1.98 -0.57 0.00 0.00 179.45 181.77 3itu h MET 783 N 0.76 1.18 -0.35 3.15 4.05 -0.94 -1.18 114.93 121.61 3itu h MET 783 Ca 0.27 -0.12 -0.09 0.00 -0.28 0.00 0.00 59.70 59.47 3itu h MET 783 Cb 0.06 -0.24 -0.02 0.00 -0.80 0.00 0.00 31.60 30.60 3itu h MET 783 CO -0.12 0.85 -0.17 0.00 0.23 0.00 0.00 176.91 177.70 3itu h ALA 784 N 1.35 1.05 -0.08 0.39 0.00 -0.81 0.25 119.26 121.40 3itu h ALA 784 Ca 0.31 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3itu h ALA 784 Cb -0.01 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 3itu h ALA 784 CO -0.05 0.58 -0.05 0.93 0.00 0.00 0.00 179.25 180.66 3itu h GLU 785 N 0.58 0.18 0.00 0.00 5.08 -0.73 -3.28 114.58 116.41 3itu h GLU 785 Ca 0.09 -0.08 -0.13 0.00 -1.00 0.00 0.00 59.36 58.24 3itu h GLU 785 Cb 0.62 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 3itu h GLU 785 CO 0.04 0.56 -0.61 -0.39 -1.00 0.00 0.00 179.01 177.61 3itu h VAL 786 N -0.20 1.10 0.00 3.13 -1.51 -1.14 -3.50 116.25 114.13 3itu h VAL 786 Ca 0.02 -2.42 0.00 0.00 -1.23 0.00 0.00 66.70 63.07 3itu h VAL 786 Cb 0.51 2.45 0.00 0.00 -2.13 0.00 0.00 31.29 32.11 3itu h VAL 786 CO 0.01 0.60 0.00 0.61 -1.23 0.00 0.00 177.57 177.56 3itu n GLY 787 N 1.08 2.27 3.74 5.19 0.00 0.07 -4.98 105.19 112.55 3itu n GLY 787 Ca 0.01 -1.55 -0.42 0.00 0.00 0.00 0.00 46.02 44.07 3itu n GLY 787 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3itu s TYR 788 N -0.91 2.95 -0.26 1.61 5.04 -1.25 -4.91 117.35 119.62 3itu s TYR 788 Ca 0.00 0.79 -0.01 0.00 -2.44 0.00 0.00 57.07 55.41 3itu s TYR 788 Cb 0.00 -3.94 0.03 0.00 0.35 0.00 0.00 41.96 38.40 3itu s TYR 788 CO 0.00 -3.26 -0.05 0.34 -1.34 0.00 0.00 175.55 171.24 3itu s ASP 789 N 0.68 4.44 0.58 4.32 -1.08 -1.26 -5.00 116.67 119.35 3itu s ASP 789 Ca 0.65 -0.99 0.34 0.00 -0.52 0.00 0.00 52.55 52.02 3itu s ASP 789 Cb -0.45 -1.66 1.78 0.00 -1.46 0.00 0.00 42.92 41.13 3itu s ASP 789 CO 0.40 -0.16 2.18 -0.09 0.52 0.00 0.00 175.17 178.02 3itu h ARG 790 N 7.99 0.00 -0.22 4.34 2.43 -1.94 0.64 114.38 127.63 3itu h ARG 790 Ca -0.29 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.88 3itu h ARG 790 Cb 1.09 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 3itu h ARG 790 CO 0.56 0.05 0.00 0.09 -1.51 0.00 0.00 179.97 179.16 3itu n ASN 791 N -3.42 1.48 -4.32 -3.80 5.03 -1.26 -4.76 115.26 104.21 3itu n ASN 791 Ca -0.02 -1.83 -0.38 0.00 0.87 0.00 0.00 54.58 53.22 3itu n ASN 791 Cb 0.18 -0.14 -0.12 0.00 -1.02 0.00 0.00 39.78 38.67 3itu n ASN 791 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.26 175.64 3itu s ASN 792 N -1.28 5.31 0.39 6.41 3.84 0.22 -4.98 114.94 124.85 3itu s ASN 792 Ca 0.26 -0.95 0.08 0.00 0.21 0.00 0.00 52.86 52.46 3itu s ASN 792 Cb 0.13 -1.90 0.80 0.00 -0.55 0.00 0.00 41.25 39.74 3itu s ASN 792 CO 0.19 -0.28 1.97 0.11 -2.79 0.00 0.00 177.10 176.30 3itu h LYS 793 N 8.26 0.38 -0.41 0.43 1.57 -1.86 -1.99 116.57 122.95 3itu h LYS 793 Ca -0.27 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.36 3itu h LYS 793 Cb 1.10 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.33 3itu h LYS 793 CO 0.61 0.38 -0.11 1.96 -0.57 0.00 0.00 179.45 181.73 3itu h GLN 794 N 0.37 0.73 -0.98 3.15 1.08 -1.93 -2.41 115.11 115.12 3itu h GLN 794 Ca 0.09 -0.23 0.01 0.00 -1.45 0.00 0.00 58.65 57.07 3itu h GLN 794 Cb 0.20 -0.07 -0.05 0.00 -0.05 0.00 0.00 27.48 27.52 3itu h GLN 794 CO 0.00 0.81 0.65 0.45 -0.95 0.00 0.00 178.83 179.80 3itu h HIS 795 N 0.66 1.23 -0.04 2.96 3.86 -1.65 -1.60 115.15 120.58 3itu h HIS 795 Ca 0.12 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.35 3itu h HIS 795 Cb 0.57 -0.42 -0.00 0.00 1.06 0.00 0.00 27.41 28.62 3itu h HIS 795 CO 0.03 0.77 0.02 0.45 0.86 0.00 0.00 177.93 180.06 3itu h HIS 796 N 1.32 0.05 -0.37 2.45 3.86 -1.22 0.23 115.15 121.47 3itu h HIS 796 Ca 0.37 0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.62 3itu h HIS 796 Cb -0.13 -0.02 -0.04 0.00 1.06 0.00 0.00 27.41 28.29 3itu h HIS 796 CO -0.00 0.04 0.14 0.00 0.86 0.00 0.00 177.93 178.97 3itu h ARG 797 N 0.04 0.30 -0.32 2.45 3.08 -1.26 -0.94 114.38 117.72 3itu h ARG 797 Ca 0.01 -0.02 -0.13 0.00 0.07 0.00 0.00 59.98 59.91 3itu h ARG 797 Cb 0.01 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 29.98 3itu h ARG 797 CO -0.00 0.20 -0.32 -0.07 -1.07 0.00 0.00 179.97 178.71 3itu h LEU 798 N 0.30 0.83 -1.12 3.04 3.38 -1.08 -2.44 115.31 118.22 3itu h LEU 798 Ca 0.17 -0.47 -0.02 0.00 0.09 0.00 0.00 57.88 57.65 3itu h LEU 798 Cb 0.13 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 3itu h LEU 798 CO -0.16 1.13 0.39 0.25 0.09 0.00 0.00 178.44 180.14 3itu h LEU 799 N 0.55 0.89 -0.35 1.67 5.85 -0.35 -0.42 115.31 123.15 3itu h LEU 799 Ca 0.05 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 3itu h LEU 799 Cb 0.89 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 3itu h LEU 799 CO 0.08 0.72 0.21 -0.07 -0.34 0.00 0.00 178.44 179.04 3itu h LEU 800 N 1.00 0.43 -0.23 2.25 3.38 -1.02 0.10 115.31 121.23 3itu h LEU 800 Ca 0.25 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.18 3itu h LEU 800 Cb 0.03 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3itu h LEU 800 CO -0.04 0.36 0.11 0.00 0.09 0.00 0.00 178.44 178.96 3itu h LEU 802 N 0.24 0.12 -0.67 0.00 5.85 -0.71 -0.76 115.31 119.37 3itu h LEU 802 Ca 0.09 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.78 3itu h LEU 802 Cb 0.02 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 3itu h LEU 802 CO -0.06 0.13 0.44 -0.07 -0.34 0.00 0.00 178.44 178.54 3itu h LEU 803 N 0.10 0.75 0.01 2.25 3.38 -0.66 0.41 115.31 121.55 3itu h LEU 803 Ca 0.04 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3itu h LEU 803 Cb 0.04 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.61 3itu h LEU 803 CO -0.01 0.54 -0.01 -0.03 0.09 0.00 0.00 178.44 179.02 3itu h MET 804 N 0.89 -0.02 -0.98 1.13 4.05 -0.44 0.57 114.93 120.13 3itu h MET 804 Ca 0.25 0.00 0.06 0.00 -0.28 0.00 0.00 59.70 59.74 3itu h MET 804 Cb -0.07 0.00 -0.07 0.00 -0.80 0.00 0.00 31.60 30.67 3itu h MET 804 CO -0.07 -0.01 0.64 1.15 0.23 0.00 0.00 176.91 178.85 3itu h THR 805 N -0.02 1.09 -0.74 -0.77 2.02 -0.81 -1.21 112.91 112.46 3itu h THR 805 Ca -0.00 -0.39 -0.05 0.00 0.77 0.00 0.00 66.41 66.73 3itu h THR 805 Cb 0.01 -0.16 -0.03 0.00 -1.74 0.00 0.00 68.15 66.23 3itu h THR 805 CO 0.00 0.21 0.27 0.28 0.37 0.00 0.00 175.52 176.65 3itu h SER 806 N 1.15 1.04 -0.68 4.18 0.02 0.00 -0.85 113.55 118.41 3itu h SER 806 Ca 0.42 -0.17 -0.07 0.00 -0.84 0.00 0.00 61.79 61.13 3itu h SER 806 Cb 0.17 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.41 3itu h SER 806 CO -0.17 0.94 0.17 0.00 -1.14 0.00 0.00 176.83 176.63 3itu h ASP 808 N 1.03 0.33 -0.45 0.00 3.58 -0.39 -2.51 116.42 118.02 3itu h ASP 808 Ca 0.21 -0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.53 3itu h ASP 808 Cb 0.37 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.33 3itu h ASP 808 CO 0.00 0.68 0.00 0.18 -2.88 0.00 0.00 179.24 177.22 3itu n LEU 809 N -4.06 3.06 0.08 2.28 4.77 -0.40 -4.66 117.00 118.07 3itu n LEU 809 Ca -0.01 -1.41 0.11 0.00 -0.03 0.00 0.00 56.01 54.67 3itu n LEU 809 Cb 0.46 -0.29 0.45 0.00 -2.33 0.00 0.00 43.42 41.70 3itu n LEU 809 CO 0.42 0.71 0.85 -1.54 -1.33 0.00 0.00 177.39 176.50 3itu n SER 810 N 1.20 0.47 0.28 -1.43 3.41 -0.95 -1.61 113.62 115.00 3itu n SER 810 Ca 0.19 0.58 0.18 0.00 -0.26 0.00 0.00 58.87 59.56 3itu n SER 810 Cb 0.52 -0.69 0.95 0.00 -0.26 0.00 0.00 64.21 64.72 3itu n SER 810 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3itu h ASP 811 N 0.00 0.00 0.34 4.04 3.32 -1.83 0.04 116.42 122.33 3itu h ASP 811 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3itu h ASP 811 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.00 3itu h ASP 811 CO 0.00 0.00 -0.12 0.00 -1.72 0.00 0.00 179.24 177.40 3itu n GLN 812 N -2.78 0.72 -0.03 3.56 1.13 -0.63 -3.84 117.38 115.51 3itu n GLN 812 Ca -0.02 -0.27 0.12 0.00 -1.94 0.00 0.00 57.00 54.89 3itu n GLN 812 Cb 0.13 -1.49 0.19 0.00 0.11 0.00 0.00 30.24 29.17 3itu n GLN 812 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 3itu n THR 813 N -0.90 0.08 -0.81 5.09 -2.24 0.00 -3.88 114.28 111.61 3itu n THR 813 Ca 0.14 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 3itu n THR 813 Cb 0.28 1.25 0.00 0.00 -2.10 0.00 0.00 70.33 69.76 3itu n THR 813 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3itu n LYS 814 N 1.17 2.81 -2.19 -0.78 4.76 -1.25 -4.76 118.16 117.93 3itu n LYS 814 Ca 0.16 0.00 -0.27 0.00 -2.87 0.00 0.00 58.31 55.33 3itu n LYS 814 Cb 0.56 0.00 0.12 0.00 -1.84 0.00 0.00 35.03 33.87 3itu n LYS 814 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3itu s GLY 815 N -0.50 1.73 0.32 0.72 0.00 -1.26 -4.85 107.32 103.47 3itu s GLY 815 Ca 0.00 -1.20 0.01 0.00 0.00 0.00 0.00 44.72 43.53 3itu s GLY 815 CO 0.00 -0.63 1.95 -0.25 0.00 0.00 0.00 173.10 174.18 3itu h TRP 816 N -0.96 0.96 -0.80 1.90 2.91 -1.98 -2.47 115.95 115.52 3itu h TRP 816 Ca -0.43 0.02 -0.03 0.00 1.13 0.00 0.00 58.89 59.59 3itu h TRP 816 Cb 1.28 -0.32 -0.04 0.00 -0.51 0.00 0.00 29.16 29.57 3itu h TRP 816 CO -0.29 0.55 0.37 0.87 -1.03 0.00 0.00 178.44 178.91 3itu h LYS 817 N 0.99 1.15 -0.18 2.65 1.57 -1.99 0.43 116.57 121.19 3itu h LYS 817 Ca 0.32 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.92 3itu h LYS 817 Cb 0.06 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 3itu h LYS 817 CO -0.10 0.89 0.04 1.15 -0.57 0.00 0.00 179.45 180.86 3itu h THR 818 N 1.14 1.21 -0.54 -0.16 2.02 -1.80 -1.75 112.91 113.03 3itu h THR 818 Ca 0.27 -0.67 0.05 0.00 0.77 0.00 0.00 66.41 66.83 3itu h THR 818 Cb 0.12 1.31 -0.05 0.00 -1.74 0.00 0.00 68.15 67.80 3itu h THR 818 CO -0.03 0.20 0.28 0.74 0.37 0.00 0.00 175.52 177.08 3itu h THR 819 N 0.10 0.96 -0.40 3.16 2.02 -1.21 -0.40 112.91 117.14 3itu h THR 819 Ca 0.06 -0.19 -0.04 0.00 0.77 0.00 0.00 66.41 67.01 3itu h THR 819 Cb 0.28 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 3itu h THR 819 CO 0.00 0.10 0.08 -0.09 0.37 0.00 0.00 175.52 175.98 3itu h ARG 820 N 0.54 0.65 -0.51 6.66 2.43 -0.91 -1.50 114.38 121.73 3itu h ARG 820 Ca 0.24 -0.16 -0.10 0.00 -0.81 0.00 0.00 59.98 59.14 3itu h ARG 820 Cb 0.14 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 3itu h ARG 820 CO -0.16 0.68 -0.08 -0.22 -1.51 0.00 0.00 179.97 178.68 3itu h LYS 821 N 0.50 0.93 -0.39 0.20 1.63 -1.04 -2.26 116.57 116.14 3itu h LYS 821 Ca 0.12 -0.32 -0.13 0.00 -0.85 0.00 0.00 60.65 59.48 3itu h LYS 821 Cb 0.34 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.88 3itu h LYS 821 CO 0.00 0.97 -0.27 0.82 -3.45 0.00 0.00 179.45 177.53 3itu h ILE 822 N 0.84 1.27 -0.66 2.00 1.08 -1.08 -1.85 117.51 119.12 3itu h ILE 822 Ca 0.14 -1.41 0.01 0.00 -0.39 0.00 0.00 64.86 63.21 3itu h ILE 822 Cb 0.61 1.26 -0.03 0.00 -3.07 0.00 0.00 36.82 35.58 3itu h ILE 822 CO 0.04 0.47 0.43 0.00 -0.69 0.00 0.00 178.15 178.41 3itu h ALA 823 N 0.98 0.84 -0.45 1.87 0.00 -1.08 -0.80 119.26 120.62 3itu h ALA 823 Ca 0.09 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.04 3itu h ALA 823 Cb 0.81 -0.26 -0.10 0.00 0.00 0.00 0.00 17.79 18.24 3itu h ALA 823 CO 0.07 0.25 -0.26 0.93 0.00 0.00 0.00 179.25 180.24 3itu h GLU 824 N 0.88 -0.17 -0.21 0.00 5.08 -0.86 -0.83 114.58 118.48 3itu h GLU 824 Ca 0.24 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.58 3itu h GLU 824 Cb -0.09 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3itu h GLU 824 CO -0.06 -0.11 0.01 -0.07 -1.00 0.00 0.00 179.01 177.78 3itu h LEU 825 N -0.17 0.36 -0.10 1.33 3.38 -0.90 0.23 115.31 119.45 3itu h LEU 825 Ca 0.20 -0.30 0.03 0.00 0.09 0.00 0.00 57.88 57.90 3itu h LEU 825 Cb 0.50 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 3itu h LEU 825 CO -0.55 0.57 -0.09 0.40 0.09 0.00 0.00 178.44 178.87 3itu h ILE 826 N 0.13 0.75 -0.55 1.22 2.04 -1.09 -1.18 117.51 118.84 3itu h ILE 826 Ca 0.06 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.82 3itu h ILE 826 Cb 0.38 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 3itu h ILE 826 CO 0.01 0.00 -0.05 1.88 0.00 0.00 0.00 178.15 179.99 3itu h TYR 827 N -0.11 1.10 -0.50 1.37 -1.99 -1.16 0.34 116.97 116.03 3itu h TYR 827 Ca 0.07 -0.21 0.10 0.00 2.00 0.00 0.00 58.73 60.69 3itu h TYR 827 Cb 0.20 -0.28 -0.08 0.00 2.00 0.00 0.00 36.73 38.57 3itu h TYR 827 CO -0.20 1.01 -0.02 -0.22 -0.00 0.00 0.00 178.16 178.73 3itu h LYS 828 N 0.88 0.10 0.13 4.88 3.64 -0.65 -0.13 116.57 125.42 3itu h LYS 828 Ca 0.15 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.54 3itu h LYS 828 Cb 0.60 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.36 3itu h LYS 828 CO 0.04 0.06 -0.31 1.49 -2.27 0.00 0.00 179.45 178.46 3itu h GLU 829 N 0.10 -0.52 -0.47 1.90 4.81 -0.82 -2.27 114.58 117.31 3itu h GLU 829 Ca 0.25 0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.56 3itu h GLU 829 Cb 0.38 0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.84 3itu h GLU 829 CO -0.43 -0.35 0.22 0.74 -0.73 0.00 0.00 179.01 178.46 3itu h PHE 830 N -0.54 0.40 -0.39 0.92 -1.00 -0.79 -2.18 116.94 113.36 3itu h PHE 830 Ca 0.03 0.02 -0.07 0.00 2.81 0.00 0.00 57.97 60.76 3itu h PHE 830 Cb 0.57 -0.11 -0.02 0.00 3.61 0.00 0.00 35.95 40.00 3itu h PHE 830 CO -0.27 0.19 -0.06 0.74 -1.61 0.00 0.00 178.31 177.30 3itu h PHE 831 N 0.44 0.70 -0.66 -0.55 0.04 -1.00 -0.61 116.94 115.30 3itu h PHE 831 Ca 0.21 -0.10 0.08 0.00 2.80 0.00 0.00 57.97 60.96 3itu h PHE 831 Cb 0.14 -0.19 -0.06 0.00 2.20 0.00 0.00 35.95 38.03 3itu h PHE 831 CO -0.11 0.70 0.32 0.77 -0.60 0.00 0.00 178.31 179.38 3itu h SER 832 N 0.61 0.42 -0.35 2.17 0.02 -1.16 -0.07 113.55 115.18 3itu h SER 832 Ca 0.12 0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.12 3itu h SER 832 Cb 0.47 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.97 3itu h SER 832 CO 0.02 0.25 0.20 -0.61 -1.14 0.00 0.00 176.83 175.56 3itu h GLN 833 N 0.57 0.49 -0.99 3.45 4.15 -0.74 -2.57 115.11 119.47 3itu h GLN 833 Ca 0.31 -0.05 0.04 0.00 0.77 0.00 0.00 58.65 59.72 3itu h GLN 833 Cb 0.30 -0.10 -0.06 0.00 0.21 0.00 0.00 27.48 27.84 3itu h GLN 833 CO -0.24 0.38 0.65 0.78 -1.93 0.00 0.00 178.83 178.47 3itu h GLY 834 N 0.45 1.45 0.98 2.39 0.00 -0.77 -1.28 103.07 106.29 3itu h GLY 834 Ca 0.13 -0.49 -0.02 0.00 0.00 0.00 0.00 47.33 46.94 3itu h GLY 834 CO -0.02 0.41 0.23 -0.55 0.00 0.00 0.00 176.54 176.61 3itu h ASP 835 N 1.24 0.71 -0.66 0.19 3.32 -0.85 -0.44 116.42 119.93 3itu h ASP 835 Ca 0.40 -0.15 -0.04 0.00 0.02 0.00 0.00 57.03 57.26 3itu h ASP 835 Cb 0.02 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.36 3itu h ASP 835 CO -0.13 0.66 0.27 0.25 -1.72 0.00 0.00 179.24 178.57 3itu h LEU 836 N 0.71 0.91 -0.03 1.55 5.85 -1.17 -2.31 115.31 120.83 3itu h LEU 836 Ca 0.18 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 3itu h LEU 836 Cb 0.16 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 40.95 3itu h LEU 836 CO -0.02 0.84 0.02 -0.33 -0.34 0.00 0.00 178.44 178.60 3itu h GLU 837 N 0.94 0.04 -0.80 1.25 5.08 -0.89 -0.50 114.58 119.70 3itu h GLU 837 Ca 0.22 -0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.70 3itu h GLU 837 Cb 0.21 -0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.37 3itu h GLU 837 CO -0.02 0.11 0.42 0.87 -1.00 0.00 0.00 179.01 179.39 3itu h LYS 838 N -0.03 0.63 -0.21 2.33 1.57 -0.99 0.14 116.57 120.01 3itu h LYS 838 Ca 0.01 -0.04 -0.14 0.00 -1.87 0.00 0.00 60.65 58.61 3itu h LYS 838 Cb 0.07 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 3itu h LYS 838 CO -0.00 0.42 -0.46 0.00 -0.57 0.00 0.00 179.45 178.84 3itu h ALA 839 N 1.50 0.80 0.00 3.86 0.00 -1.06 -2.14 119.26 122.22 3itu h ALA 839 Ca 0.42 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3itu h ALA 839 Cb 0.50 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3itu h ALA 839 CO -0.31 0.66 0.00 -1.33 0.00 0.00 0.00 179.25 178.27 3itu n MET 840 N -4.00 0.08 -0.47 0.00 2.81 -0.23 -4.90 117.12 110.41 3itu n MET 840 Ca -0.02 0.29 0.00 0.00 -1.81 0.00 0.00 57.70 56.15 3itu n MET 840 Cb 0.55 -1.64 0.00 0.00 -0.71 0.00 0.00 33.22 31.42 3itu n MET 840 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3itu n GLY 841 N 0.17 0.72 3.92 3.03 0.00 -0.79 -5.08 105.19 107.17 3itu n GLY 841 Ca 0.03 -0.43 -0.30 0.00 0.00 0.00 0.00 46.02 45.33 3itu n GLY 841 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3itu s ASN 842 N -2.39 6.36 -0.34 1.61 0.01 0.44 -5.01 114.94 115.63 3itu s ASN 842 Ca 0.00 0.27 -0.18 0.00 -0.71 0.00 0.00 52.86 52.23 3itu s ASN 842 Cb 0.00 -1.96 -0.01 0.00 0.41 0.00 0.00 41.25 39.70 3itu s ASN 842 CO 0.00 0.13 0.54 -0.60 -1.51 0.00 0.00 177.10 175.66 3itu s ARG 843 N -2.69 3.70 0.59 -0.60 6.06 -1.26 -3.36 118.95 121.39 3itu s ARG 843 Ca 0.35 -0.04 -0.18 0.00 -2.50 0.00 0.00 55.73 53.36 3itu s ARG 843 Cb -0.12 -3.78 -0.04 0.00 0.06 0.00 0.00 34.95 31.07 3itu s ARG 843 CO 0.28 -0.61 1.13 -1.25 -2.50 0.00 0.00 175.30 172.34 3itu s PRO 844 N 2.44 3.13 0.50 5.12 0.04 -1.26 -5.01 135.00 139.96 3itu s PRO 844 Ca 0.20 1.54 -0.19 0.00 0.04 0.00 0.00 61.00 62.59 3itu s PRO 844 Cb -0.15 -1.98 -0.12 0.00 0.04 0.00 0.00 34.50 32.28 3itu s PRO 844 CO 0.13 -1.02 0.26 -1.33 0.04 0.00 0.00 177.00 175.08 3itu n MET 845 N -1.73 0.29 -0.21 4.56 2.81 -1.26 -4.83 117.12 116.76 3itu n MET 845 Ca 0.11 0.11 -0.01 0.00 -1.81 0.00 0.00 57.70 56.10 3itu n MET 845 Cb 0.51 -1.34 0.10 0.00 -0.71 0.00 0.00 33.22 31.78 3itu n MET 845 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 3itu h GLU 846 N 0.27 0.50 0.00 0.03 4.81 -1.94 -0.49 114.58 117.76 3itu h GLU 846 Ca -0.42 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 3itu h GLU 846 Cb 1.42 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.69 3itu h GLU 846 CO 0.46 0.33 0.00 0.00 -0.73 0.00 0.00 179.01 179.07 3itu n MET 847 N -4.91 0.07 -0.12 1.92 0.00 -1.26 -1.06 117.12 111.77 3itu n MET 847 Ca 0.08 0.47 0.10 0.00 0.00 0.00 0.00 57.70 58.35 3itu n MET 847 Cb 0.22 -1.70 0.15 0.00 0.00 0.00 0.00 33.22 31.90 3itu n MET 847 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 175.97 174.64 3itu n MET 848 N -1.85 2.12 -3.51 3.17 2.81 -0.21 -4.70 117.12 114.95 3itu n MET 848 Ca 0.01 -1.97 -0.42 0.00 -1.81 0.00 0.00 57.70 53.51 3itu n MET 848 Cb 0.09 -1.41 -0.10 0.00 -0.71 0.00 0.00 33.22 31.08 3itu n MET 848 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3itu s ASP 849 N -1.40 5.97 0.09 7.83 -1.08 -0.23 -3.42 116.67 124.44 3itu s ASP 849 Ca 0.30 -0.92 0.15 0.00 -0.52 0.00 0.00 52.55 51.56 3itu s ASP 849 Cb 0.18 -2.11 0.66 0.00 -1.46 0.00 0.00 42.92 40.19 3itu s ASP 849 CO 0.26 -0.42 1.47 -2.11 0.52 0.00 0.00 175.17 174.89 3itu n ARG 850 N 5.10 0.06 0.11 4.34 1.85 -1.26 -0.39 116.66 126.47 3itu n ARG 850 Ca -0.11 0.35 0.12 0.00 -1.00 0.00 0.00 57.85 57.21 3itu n ARG 850 Cb 0.47 -1.62 0.07 0.00 -1.05 0.00 0.00 32.46 30.32 3itu n ARG 850 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 3itu h GLU 851 N 0.00 0.00 0.00 2.89 4.39 -1.92 -3.40 114.58 116.54 3itu h GLU 851 Ca 0.00 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.59 3itu h GLU 851 Cb 0.23 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.86 3itu h GLU 851 CO 0.00 0.00 -1.42 1.63 -1.16 0.00 0.00 179.01 178.06 3itu n LYS 852 N -2.60 1.13 -1.68 2.33 5.02 -0.72 -5.05 118.16 116.59 3itu n LYS 852 Ca 0.01 0.03 -0.44 0.00 -2.02 0.00 0.00 58.31 55.89 3itu n LYS 852 Cb 0.52 -1.15 -0.02 0.00 -0.02 0.00 0.00 35.03 34.36 3itu n LYS 852 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3itu n ALA 853 N -2.55 1.26 -3.87 7.82 0.00 0.48 -4.96 120.51 118.69 3itu n ALA 853 Ca -0.12 0.40 -0.33 0.00 0.00 0.00 0.00 53.44 53.38 3itu n ALA 853 Cb 0.66 -2.28 -0.13 0.00 0.00 0.00 0.00 19.45 17.70 3itu n ALA 853 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3itu s TYR 854 N -0.29 3.46 0.27 0.00 5.04 -1.26 -4.98 117.35 119.59 3itu s TYR 854 Ca 0.65 -2.86 -0.01 0.00 -2.44 0.00 0.00 57.07 52.41 3itu s TYR 854 Cb -0.62 -3.03 0.62 0.00 0.35 0.00 0.00 41.96 39.28 3itu s TYR 854 CO 0.52 -0.86 1.66 0.82 -1.34 0.00 0.00 175.55 176.35 3itu h ILE 855 N 5.86 0.39 -0.43 3.14 2.04 -1.99 -2.15 117.51 124.36 3itu h ILE 855 Ca -0.06 -0.08 -0.10 0.00 1.00 0.00 0.00 64.86 65.61 3itu h ILE 855 Cb 0.97 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 3itu h ILE 855 CO 0.66 0.04 -0.14 -0.65 0.00 0.00 0.00 178.15 178.06 3itu h PRO 856 N 0.24 0.79 -0.35 2.37 0.11 -1.94 0.11 132.00 133.33 3itu h PRO 856 Ca 0.50 -0.28 -0.08 0.00 0.11 0.00 0.00 66.00 66.25 3itu h PRO 856 Cb 0.96 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.00 3itu h PRO 856 CO -0.61 0.89 -0.11 0.93 -0.21 0.00 0.00 178.00 178.89 3itu h GLU 857 N 0.71 0.69 -0.40 1.05 5.08 -1.79 -0.13 114.58 119.78 3itu h GLU 857 Ca 0.11 -0.28 0.03 0.00 -1.00 0.00 0.00 59.36 58.22 3itu h GLU 857 Cb 0.64 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 3itu h GLU 857 CO 0.04 0.87 0.22 -0.07 -1.00 0.00 0.00 179.01 179.07 3itu h LEU 858 N 0.48 0.33 -0.23 1.33 3.38 -1.08 -1.08 115.31 118.44 3itu h LEU 858 Ca 0.08 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 3itu h LEU 858 Cb 0.63 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 3itu h LEU 858 CO 0.04 0.24 -0.07 1.56 0.09 0.00 0.00 178.44 180.30 3itu h GLN 859 N 0.44 0.45 -0.97 1.13 1.08 -0.73 -1.37 115.11 115.14 3itu h GLN 859 Ca 0.17 -0.18 0.12 0.00 -1.45 0.00 0.00 58.65 57.31 3itu h GLN 859 Cb 0.05 -0.02 -0.08 0.00 -0.05 0.00 0.00 27.48 27.37 3itu h GLN 859 CO -0.10 0.69 0.60 0.82 -0.95 0.00 0.00 178.83 179.89 3itu h ILE 860 N 0.18 0.90 0.04 2.54 2.04 -0.91 -0.72 117.51 121.58 3itu h ILE 860 Ca 0.06 -0.32 -0.00 0.00 1.00 0.00 0.00 64.86 65.59 3itu h ILE 860 Cb 0.53 -0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.49 3itu h ILE 860 CO 0.02 0.17 -0.02 -1.28 0.00 0.00 0.00 178.15 177.05 3itu h SER 861 N 0.94 -0.05 -0.43 1.72 0.87 -0.94 0.32 113.55 115.99 3itu h SER 861 Ca 0.49 -0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.99 3itu h SER 861 Cb 0.50 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.45 3itu h SER 861 CO -0.27 0.02 0.24 0.15 -0.53 0.00 0.00 176.83 176.44 3itu h PHE 862 N -0.11 0.58 -0.36 2.24 3.57 -0.84 0.24 116.94 122.26 3itu h PHE 862 Ca -0.01 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 3itu h PHE 862 Cb 0.09 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.63 3itu h PHE 862 CO -0.06 0.43 0.11 0.52 -2.23 0.00 0.00 178.31 177.08 3itu h MET 863 N 0.56 0.55 -0.10 1.11 2.86 -0.91 0.67 114.93 119.68 3itu h MET 863 Ca 0.15 -0.12 -0.22 0.00 -2.06 0.00 0.00 59.70 57.45 3itu h MET 863 Cb 0.03 -0.08 0.01 0.00 0.06 0.00 0.00 31.60 31.62 3itu h MET 863 CO -0.03 0.58 -0.81 0.93 1.06 0.00 0.00 176.91 178.64 3itu h GLU 864 N 0.42 0.63 0.00 1.72 5.08 -0.16 0.14 114.58 122.42 3itu h GLU 864 Ca 0.11 -0.55 -0.16 0.00 -1.00 0.00 0.00 59.36 57.77 3itu h GLU 864 Cb 0.26 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 3itu h GLU 864 CO -0.00 1.16 -1.43 0.72 -1.00 0.00 0.00 179.01 178.46 3itu n HIS 865 N -3.88 0.94 0.02 4.33 8.25 0.82 -4.42 115.22 121.28 3itu n HIS 865 Ca -0.07 0.31 -0.01 0.00 -0.26 0.00 0.00 57.72 57.69 3itu n HIS 865 Cb 0.76 -1.07 -0.00 0.00 1.12 0.00 0.00 29.99 30.80 3itu n HIS 865 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 3itu n ILE 866 N -2.86 0.93 0.07 1.59 5.41 0.04 -4.76 119.36 119.78 3itu n ILE 866 Ca -0.10 0.29 -0.13 0.00 1.00 0.00 0.00 62.75 63.81 3itu n ILE 866 Cb 0.83 -1.54 -0.09 0.00 -0.71 0.00 0.00 39.64 38.13 3itu n ILE 866 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3itu h ALA 867 N -0.20 -0.19 -0.23 -1.39 0.00 -1.06 -2.88 119.26 113.31 3itu h ALA 867 Ca 0.00 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.76 3itu h ALA 867 Cb 0.12 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3itu h ALA 867 CO 0.00 -0.44 0.08 0.52 0.00 0.00 0.00 179.25 179.41 3itu h MET 868 N -0.53 0.18 -0.64 0.00 2.86 -0.94 -0.72 114.93 115.13 3itu h MET 868 Ca -0.02 -0.01 0.11 0.00 -2.06 0.00 0.00 59.70 57.72 3itu h MET 868 Cb 0.41 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.99 3itu h MET 868 CO 0.03 0.12 0.43 -1.35 1.06 0.00 0.00 176.91 177.20 3itu h PRO 869 N 0.18 0.43 -0.23 -0.22 0.11 -1.77 -0.06 132.00 130.44 3itu h PRO 869 Ca 0.10 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.14 3itu h PRO 869 Cb 0.07 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.07 3itu h PRO 869 CO -0.10 0.28 -0.02 0.82 -0.21 0.00 0.00 178.00 178.77 3itu h ILE 870 N 0.44 1.27 0.00 4.15 2.04 -0.91 -0.98 117.51 123.52 3itu h ILE 870 Ca 0.30 -0.97 -0.08 0.00 1.00 0.00 0.00 64.86 65.11 3itu h ILE 870 Cb 0.59 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 3itu h ILE 870 CO -0.09 0.30 -0.39 1.88 0.00 0.00 0.00 178.15 179.85 3itu h TYR 871 N 0.18 0.00 -0.11 1.37 0.05 -1.04 -0.64 116.97 116.78 3itu h TYR 871 Ca 0.06 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.83 3itu h TYR 871 Cb 0.46 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.19 3itu h TYR 871 CO 0.04 0.39 0.02 -0.22 -1.05 0.00 0.00 178.16 177.34 3itu h LYS 872 N 0.00 0.18 -0.65 4.88 1.63 -0.84 -0.87 116.57 120.91 3itu h LYS 872 Ca -0.00 -0.05 0.06 0.00 -0.85 0.00 0.00 60.65 59.81 3itu h LYS 872 Cb 0.75 -0.02 -0.05 0.00 -0.60 0.00 0.00 32.23 32.30 3itu h LYS 872 CO 0.05 0.38 0.35 -0.07 -3.45 0.00 0.00 179.45 176.71 3itu h LEU 873 N -0.05 0.52 -0.54 5.20 3.38 -0.97 -0.54 115.31 122.32 3itu h LEU 873 Ca 0.03 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3itu h LEU 873 Cb 0.29 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 3itu h LEU 873 CO 0.00 0.34 0.35 0.25 0.09 0.00 0.00 178.44 179.47 3itu h LEU 874 N 0.65 0.62 -0.67 1.67 5.85 -0.88 -2.08 115.31 120.47 3itu h LEU 874 Ca 0.29 -0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.94 3itu h LEU 874 Cb 0.19 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 3itu h LEU 874 CO -0.18 0.46 0.25 -0.61 -0.34 0.00 0.00 178.44 178.02 3itu h GLN 875 N 0.72 1.02 -0.83 1.25 4.15 -0.79 0.33 115.11 120.97 3itu h GLN 875 Ca 0.20 -0.19 0.09 0.00 0.77 0.00 0.00 58.65 59.51 3itu h GLN 875 Cb -0.07 -0.16 -0.06 0.00 0.21 0.00 0.00 27.48 27.40 3itu h GLN 875 CO -0.04 0.86 0.54 -0.44 -1.93 0.00 0.00 178.83 177.82 3itu h ASP 876 N 0.96 0.72 0.64 -0.69 3.32 -0.84 -2.86 116.42 117.68 3itu h ASP 876 Ca 0.22 0.02 -0.27 0.00 0.02 0.00 0.00 57.03 57.02 3itu h ASP 876 Cb 0.23 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 3itu h ASP 876 CO -0.02 0.43 -1.38 -0.07 -1.72 0.00 0.00 179.24 176.49 3itu h LEU 877 N 0.81 0.18 -6.84 1.55 3.38 -0.88 -3.44 115.31 110.08 3itu h LEU 877 Ca 0.38 -0.25 -0.57 0.00 0.09 0.00 0.00 57.88 57.53 3itu h LEU 877 Cb 0.40 -0.06 -0.40 0.00 0.09 0.00 0.00 40.66 40.70 3itu h LEU 877 CO -0.15 1.21 -0.79 -0.36 0.09 0.00 0.00 178.44 178.44 3itu s PHE 878 N -2.64 1.01 0.37 1.13 0.08 0.11 -4.91 117.98 113.12 3itu s PHE 878 Ca -0.05 -1.54 0.15 0.00 0.12 0.00 0.00 56.93 55.62 3itu s PHE 878 Cb 0.08 -1.24 1.02 0.00 -0.57 0.00 0.00 43.02 42.32 3itu s PHE 878 CO 0.84 -0.83 1.77 -1.35 -0.10 0.00 0.00 175.22 175.54 3itu h PRO 879 N 7.65 0.46 0.00 0.24 0.11 -1.79 0.29 132.00 138.96 3itu h PRO 879 Ca -0.08 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.01 3itu h PRO 879 Cb 0.99 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.99 3itu h PRO 879 CO 0.40 0.30 -0.00 0.87 -0.21 0.00 0.00 178.00 179.36 3itu h LYS 880 N 0.47 0.00 0.00 1.05 1.57 -1.93 -1.06 116.57 116.67 3itu h LYS 880 Ca 0.60 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.38 3itu h LYS 880 Cb 1.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.69 3itu h LYS 880 CO -0.34 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.54 3itu n ALA 881 N -2.09 2.28 -0.33 3.86 0.00 0.10 -4.34 120.51 119.99 3itu n ALA 881 Ca -0.03 -0.10 0.26 0.00 0.00 0.00 0.00 53.44 53.57 3itu n ALA 881 Cb 0.08 -1.45 0.48 0.00 0.00 0.00 0.00 19.45 18.57 3itu n ALA 881 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3itu h ALA 882 N 2.99 1.83 0.00 0.00 0.00 -1.31 0.01 119.26 122.78 3itu h ALA 882 Ca 0.00 0.29 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 3itu h ALA 882 Cb 0.45 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 3itu h ALA 882 CO 0.00 -0.81 -0.09 1.05 0.00 0.00 0.00 179.25 179.40 3itu h GLU 883 N 0.02 0.00 -0.07 0.00 4.11 -1.84 -1.71 114.58 115.10 3itu h GLU 883 Ca 0.76 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 60.18 3itu h GLU 883 Cb 1.88 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.12 3itu h GLU 883 CO -0.81 0.09 0.01 -0.07 0.07 0.00 0.00 179.01 178.31 3itu h LEU 884 N 0.00 0.11 -0.59 3.06 3.38 -1.30 -1.73 115.31 118.23 3itu h LEU 884 Ca -0.00 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 3itu h LEU 884 Cb 0.22 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 3itu h LEU 884 CO 0.01 0.35 0.34 0.22 0.09 0.00 0.00 178.44 179.46 3itu h TYR 885 N -0.13 0.80 -0.30 1.13 3.20 -1.45 -1.37 116.97 118.85 3itu h TYR 885 Ca 0.02 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.84 3itu h TYR 885 Cb 0.29 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.29 3itu h TYR 885 CO 0.02 0.56 0.02 0.93 -1.64 0.00 0.00 178.16 178.05 3itu h GLU 886 N 0.80 0.45 -0.28 1.82 4.39 -1.28 -0.67 114.58 119.80 3itu h GLU 886 Ca 0.21 -0.08 -0.16 0.00 0.34 0.00 0.00 59.36 59.66 3itu h GLU 886 Cb 0.01 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.59 3itu h GLU 886 CO -0.04 0.46 -0.46 0.00 -1.16 0.00 0.00 179.01 177.81 3itu h ARG 887 N 0.43 0.82 -0.70 2.33 3.08 -0.94 0.57 114.38 119.98 3itu h ARG 887 Ca 0.10 -0.50 -0.05 0.00 0.07 0.00 0.00 59.98 59.60 3itu h ARG 887 Cb 0.26 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.33 3itu h ARG 887 CO 0.01 1.13 0.24 0.28 -1.07 0.00 0.00 179.97 180.55 3itu h VAL 888 N 0.58 1.25 -0.35 2.04 2.07 -0.79 -0.11 116.25 120.95 3itu h VAL 888 Ca 0.02 -0.86 -0.08 0.00 0.82 0.00 0.00 66.70 66.61 3itu h VAL 888 Cb 1.07 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 3itu h VAL 888 CO 0.11 0.34 -0.09 0.00 0.02 0.00 0.00 177.57 177.94 3itu h ALA 889 N 1.11 0.48 -0.66 1.67 0.00 -1.02 -0.68 119.26 120.16 3itu h ALA 889 Ca 0.23 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3itu h ALA 889 Cb 0.28 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3itu h ALA 889 CO -0.01 0.33 0.29 1.03 0.00 0.00 0.00 179.25 180.89 3itu h SER 890 N 0.46 0.87 -0.37 0.00 0.87 -0.64 -1.36 113.55 113.38 3itu h SER 890 Ca 0.09 -0.11 -0.04 0.00 -1.23 0.00 0.00 61.79 60.50 3itu h SER 890 Cb 0.59 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.31 3itu h SER 890 CO 0.04 0.76 0.09 0.78 -0.53 0.00 0.00 176.83 177.96 3itu h ASN 891 N 0.94 0.57 -0.72 6.23 2.35 -0.56 -0.71 115.58 123.69 3itu h ASN 891 Ca 0.23 -0.23 0.05 0.00 -0.55 0.00 0.00 56.30 55.80 3itu h ASN 891 Cb 0.14 -0.15 -0.05 0.00 0.05 0.00 0.00 38.32 38.31 3itu h ASN 891 CO -0.02 0.65 0.42 -0.09 -1.65 0.00 0.00 177.43 176.74 3itu h ARG 892 N 0.46 0.76 -0.48 0.81 1.12 -0.85 -2.13 114.38 114.06 3itu h ARG 892 Ca 0.12 -0.05 -0.09 0.00 -1.11 0.00 0.00 59.98 58.85 3itu h ARG 892 Cb 0.31 -0.17 -0.02 0.00 -0.01 0.00 0.00 29.97 30.08 3itu h ARG 892 CO 0.00 0.50 -0.07 0.93 -3.11 0.00 0.00 179.97 178.22 3itu h GLU 893 N 0.78 0.85 -0.82 0.20 4.39 -0.68 -1.60 114.58 117.69 3itu h GLU 893 Ca 0.31 -0.27 0.05 0.00 0.34 0.00 0.00 59.36 59.79 3itu h GLU 893 Cb 0.15 -0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 28.68 3itu h GLU 893 CO -0.17 0.90 0.54 1.25 -1.16 0.00 0.00 179.01 180.37 3itu h HIS 894 N 0.77 0.94 -0.82 4.33 2.76 -0.84 -1.62 115.15 120.67 3itu h HIS 894 Ca 0.13 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.30 3itu h HIS 894 Cb 0.57 -0.31 -0.04 0.00 1.55 0.00 0.00 27.41 29.18 3itu h HIS 894 CO 0.03 0.51 0.41 -1.49 -1.30 0.00 0.00 177.93 176.09 3itu h TRP 895 N 0.95 1.18 -0.77 5.26 4.06 -0.64 -0.79 115.95 125.19 3itu h TRP 895 Ca 0.34 -0.05 -0.03 0.00 2.06 0.00 0.00 58.89 61.21 3itu h TRP 895 Cb 0.16 -0.37 -0.03 0.00 -1.00 0.00 0.00 29.16 27.91 3itu h TRP 895 CO -0.00 0.85 0.35 1.79 -3.56 0.00 0.00 178.44 177.87 3itu h THR 896 N 1.17 1.25 -0.22 1.49 1.35 -0.90 -1.39 112.91 115.67 3itu h THR 896 Ca 0.28 -0.73 -0.11 0.00 -0.55 0.00 0.00 66.41 65.31 3itu h THR 896 Cb 0.10 0.29 -0.01 0.00 -1.73 0.00 0.00 68.15 66.80 3itu h THR 896 CO -0.04 0.30 -0.35 0.50 -0.25 0.00 0.00 175.52 175.69 3itu h LYS 897 N 1.10 0.46 -0.53 4.72 1.63 -0.78 -2.72 116.57 120.45 3itu h LYS 897 Ca 0.26 -0.21 0.00 0.00 -0.85 0.00 0.00 60.65 59.86 3itu h LYS 897 Cb 0.15 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.77 3itu h LYS 897 CO -0.03 0.75 0.00 1.33 -3.45 0.00 0.00 179.45 178.05 3itu n VAL 898 N -4.06 0.69 0.06 2.00 0.24 -0.35 -4.41 118.33 112.50 3itu n VAL 898 Ca -0.01 -0.84 0.03 0.00 -2.04 0.00 0.00 64.34 61.48 3itu n VAL 898 Cb 0.47 0.79 0.41 0.00 -1.47 0.00 0.00 33.84 34.04 3itu n VAL 898 CO 0.00 0.00 0.00 -1.28 -2.14 0.00 0.00 176.83 173.41 3itu h SER 899 N 4.43 0.36 0.55 -1.34 0.87 -0.92 -1.43 113.55 116.07 3itu h SER 899 Ca 0.00 -0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.51 3itu h SER 899 Cb 0.99 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 62.86 3itu h SER 899 CO 0.00 0.36 -0.05 1.12 -0.53 0.00 0.00 176.83 177.73 3itu h HIS 900 N 0.40 0.00 0.00 2.24 2.07 -1.78 -1.64 115.15 116.44 3itu h HIS 900 Ca 0.10 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.62 3itu h HIS 900 Cb 0.13 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.11 3itu h HIS 900 CO 0.00 0.05 0.00 1.63 -3.07 0.00 0.00 177.93 176.55 3itu n LYS 901 N -3.28 0.14 -0.08 5.12 5.02 -0.54 -2.56 118.16 121.98 3itu n LYS 901 Ca -0.01 0.46 0.09 0.00 -2.02 0.00 0.00 58.31 56.83 3itu n LYS 901 Cb 0.23 -1.81 0.35 0.00 -0.02 0.00 0.00 35.03 33.78 3itu n LYS 901 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3itu n PHE 902 N -2.08 0.22 -3.90 2.13 3.72 -0.62 -4.55 117.46 112.39 3itu n PHE 902 Ca 0.01 -0.11 -0.35 0.00 -0.05 0.00 0.00 57.45 56.95 3itu n PHE 902 Cb 0.15 0.00 -0.14 0.00 -0.94 0.00 0.00 39.48 38.56 3itu n PHE 902 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 3itu s THR 903 N -1.78 3.50 -0.57 4.37 2.01 -1.06 -5.05 115.64 117.05 3itu s THR 903 Ca 0.29 -0.45 -0.27 0.00 0.31 0.00 0.00 61.69 61.57 3itu s THR 903 Cb 0.15 -2.60 -0.01 0.00 0.01 0.00 0.00 72.50 70.05 3itu s THR 903 CO 0.23 0.41 1.74 -0.63 -0.69 0.00 0.00 174.62 175.69 3itu s ILE 904 N 1.48 3.46 0.13 1.82 1.01 -1.26 -4.98 121.20 122.85 3itu s ILE 904 Ca 0.06 0.33 -0.07 0.00 0.00 0.00 0.00 60.65 60.97 3itu s ILE 904 Cb -0.14 -4.04 -0.06 0.00 0.01 0.00 0.00 42.46 38.23 3itu s ILE 904 CO -0.02 -0.94 0.39 -0.13 0.00 0.00 0.00 174.94 174.23 3itu s ARG 905 N 6.52 3.67 2.01 2.79 0.52 -1.26 -4.94 118.95 128.26 3itu s ARG 905 Ca 0.64 0.01 0.00 0.00 -0.52 0.00 0.00 55.73 55.87 3itu s ARG 905 Cb -0.13 -2.88 0.00 0.00 0.52 0.00 0.00 34.95 32.46 3itu s ARG 905 CO 0.23 0.49 0.00 0.41 0.02 0.00 0.00 175.30 176.45 3itu n GLY 906 N 0.34 -1.18 3.93 -3.53 0.00 -1.26 -4.81 105.19 98.69 3itu n GLY 906 Ca -0.04 -1.24 -0.28 0.00 0.00 0.00 0.00 46.02 44.46 3itu n GLY 906 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3itu s LEU 907 N 0.00 4.32 1.02 0.99 1.43 -1.26 -5.11 118.68 120.07 3itu s LEU 907 Ca 0.00 0.27 -0.17 0.00 -1.03 0.00 0.00 54.13 53.20 3itu s LEU 907 Cb 0.00 -3.00 -0.01 0.00 0.03 0.00 0.00 46.19 43.21 3itu s LEU 907 CO 0.00 0.08 -0.22 -2.65 0.23 0.00 0.00 176.35 173.79 3itu n PRO 908 N -0.24 -0.57 -0.32 1.29 -0.02 -1.26 -4.83 135.00 129.04 3itu n PRO 908 Ca -0.06 -0.15 0.23 0.00 -2.02 0.00 0.00 63.50 61.51 3itu n PRO 908 Cb 0.53 -1.53 0.45 0.00 -0.02 0.00 0.00 33.50 32.93 3itu n PRO 908 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3itu h SER 909 N -1.52 0.18 -0.25 2.55 0.02 -1.99 -1.82 113.55 110.72 3itu h SER 909 Ca -0.46 0.23 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 3itu h SER 909 Cb 1.32 0.27 0.00 0.00 0.14 0.00 0.00 62.40 64.13 3itu h SER 909 CO 0.31 -0.28 0.00 -0.46 -1.14 0.00 0.00 176.83 175.26 3itu n ASN 910 N -5.23 1.84 -1.89 3.07 6.94 -1.26 -4.87 115.26 113.86 3itu n ASN 910 Ca 0.30 -2.11 -0.15 0.00 -0.02 0.00 0.00 54.58 52.61 3itu n ASN 910 Cb 1.00 -0.30 -0.04 0.00 -2.36 0.00 0.00 39.78 38.08 3itu n ASN 910 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 3itu n ASN 911 N 0.27 -4.23 -4.25 0.53 5.03 -0.68 -4.97 115.26 106.95 3itu n ASN 911 Ca 0.09 0.26 -0.26 0.00 0.87 0.00 0.00 54.58 55.54 3itu n ASN 911 Cb 0.34 -3.73 -0.15 0.00 -1.02 0.00 0.00 39.78 35.23 3itu n ASN 911 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 3itu s SER 912 N -2.17 2.50 -0.14 6.41 0.15 -1.26 -4.96 113.70 114.24 3itu s SER 912 Ca 0.00 -0.48 0.15 0.00 0.70 0.00 0.00 55.95 56.32 3itu s SER 912 Cb 0.00 -0.23 0.68 0.00 -1.71 0.00 0.00 66.02 64.76 3itu s SER 912 CO 0.00 0.19 1.57 0.18 1.20 0.00 0.00 173.24 176.38 3itu n LEU 913 N 2.05 4.64 0.13 3.45 4.77 -1.26 -4.22 117.00 126.57 3itu n LEU 913 Ca -0.17 -2.35 0.02 0.00 -0.03 0.00 0.00 56.01 53.48 3itu n LEU 913 Cb 0.53 -0.59 0.37 0.00 -2.33 0.00 0.00 43.42 41.40 3itu n LEU 913 CO 0.23 0.68 0.83 -2.24 -1.33 0.00 0.00 177.39 175.57 3itu h ASP 914 N 3.64 0.19 0.00 -1.43 3.04 -2.00 -3.53 116.42 116.34 3itu h ASP 914 Ca 0.00 -0.05 0.00 0.00 -3.24 0.00 0.00 57.03 53.74 3itu h ASP 914 Cb 1.50 -0.05 0.00 0.00 -1.04 0.00 0.00 39.33 39.75 3itu h ASP 914 CO 0.29 0.41 0.00 2.22 -2.04 0.00 0.00 179.24 180.12