#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3itm h ASP 580 N 0.00 0.74 1.29 1.67 1.82 -2.06 -3.07 116.42 116.81 3itm h ASP 580 Ca 0.00 -0.41 -0.06 0.00 -0.39 0.00 0.00 57.03 56.18 3itm h ASP 580 Cb 0.00 -0.21 -0.01 0.00 0.68 0.00 0.00 39.33 39.79 3itm h ASP 580 CO 0.00 1.15 -0.27 1.05 -1.61 0.00 0.00 179.24 179.56 3itm h GLU 581 N 0.50 0.00 0.00 0.28 4.11 -2.00 -3.08 114.58 114.39 3itm h GLU 581 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.35 3itm h GLU 581 Cb 1.14 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 3itm h GLU 581 CO 0.11 0.27 -0.42 -0.92 0.07 0.00 0.00 179.01 178.12 3itm h TYR 582 N 0.00 0.00 0.04 2.06 3.20 -1.97 -2.59 116.97 117.71 3itm h TYR 582 Ca -0.00 0.00 -0.24 0.00 3.14 0.00 0.00 58.73 61.63 3itm h TYR 582 Cb 0.99 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.26 3itm h TYR 582 CO 0.00 0.42 -1.03 1.15 -1.64 0.00 0.00 178.16 177.06 3itm h THR 583 N 0.00 1.43 -0.54 1.81 2.02 -1.45 -1.01 112.91 115.17 3itm h THR 583 Ca -0.00 -2.63 -0.08 0.00 0.77 0.00 0.00 66.41 64.46 3itm h THR 583 Cb 0.86 2.57 -0.02 0.00 -1.74 0.00 0.00 68.15 69.83 3itm h THR 583 CO 0.05 0.78 0.02 0.50 0.37 0.00 0.00 175.52 177.24 3itm h LYS 584 N 0.18 0.95 -0.39 6.66 3.64 -1.50 -2.42 116.57 123.69 3itm h LYS 584 Ca -0.09 -0.29 -0.08 0.00 -1.27 0.00 0.00 60.65 58.92 3itm h LYS 584 Cb 1.69 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 33.40 3itm h LYS 584 CO 0.17 0.95 -0.05 -0.07 -2.27 0.00 0.00 179.45 178.18 3itm h LEU 585 N 0.82 0.72 -0.26 5.20 3.38 -1.31 0.52 115.31 124.38 3itm h LEU 585 Ca 0.16 -0.34 0.03 0.00 0.09 0.00 0.00 57.88 57.81 3itm h LEU 585 Cb 0.51 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 3itm h LEU 585 CO 0.02 0.89 0.09 -0.07 0.09 0.00 0.00 178.44 179.46 3itm h LEU 586 N 0.53 0.10 0.00 1.67 3.38 -1.17 -2.34 115.31 117.48 3itm h LEU 586 Ca 0.10 0.03 -0.21 0.00 0.09 0.00 0.00 57.88 57.89 3itm h LEU 586 Cb 0.55 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 3itm h LEU 586 CO 0.03 0.09 -1.03 0.45 0.09 0.00 0.00 178.44 178.07 3itm h HIS 587 N 0.20 0.00 -0.03 1.13 3.86 -1.22 -3.24 115.15 115.87 3itm h HIS 587 Ca 0.11 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 59.08 3itm h HIS 587 Cb 0.08 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.56 3itm h HIS 587 CO -0.13 0.94 -0.96 -0.44 0.86 0.00 0.00 177.93 178.21 3itm h ASP 588 N 0.00 0.77 -3.71 2.45 3.32 -0.91 -3.51 116.42 114.83 3itm h ASP 588 Ca -0.04 -0.59 0.17 0.00 0.02 0.00 0.00 57.03 56.59 3itm h ASP 588 Cb 1.75 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 41.01 3itm h ASP 588 CO 0.12 1.39 -0.31 0.61 -1.72 0.00 0.00 179.24 179.32 3itm n GLY 589 N 0.95 -1.86 3.72 2.75 0.00 -0.88 -4.90 105.19 104.97 3itm n GLY 589 Ca -0.09 -1.35 -0.41 0.00 0.00 0.00 0.00 46.02 44.18 3itm n GLY 589 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3itm s ILE 590 N -2.00 4.71 0.07 -0.61 1.01 -1.26 -5.00 121.20 118.12 3itm s ILE 590 Ca 0.00 1.95 -0.14 0.00 0.00 0.00 0.00 60.65 62.46 3itm s ILE 590 Cb 0.00 -4.27 -0.06 0.00 0.01 0.00 0.00 42.46 38.14 3itm s ILE 590 CO 0.00 0.26 0.46 -1.10 0.00 0.00 0.00 174.94 174.57 3itm s GLN 591 N 0.40 3.93 0.21 2.79 -1.52 -1.26 -5.04 119.66 119.17 3itm s GLN 591 Ca 0.47 0.41 -0.30 0.00 -1.95 0.00 0.00 55.36 53.99 3itm s GLN 591 Cb -0.22 -3.09 -0.08 0.00 -0.22 0.00 0.00 33.01 29.40 3itm s GLN 591 CO 0.27 0.60 1.02 -1.25 -0.25 0.00 0.00 175.29 175.67 3itm s PRO 592 N -1.53 4.72 0.38 2.91 0.04 -1.26 -4.50 135.00 135.76 3itm s PRO 592 Ca 0.30 1.61 0.19 0.00 0.04 0.00 0.00 61.00 63.14 3itm s PRO 592 Cb -0.16 -3.28 1.13 0.00 0.04 0.00 0.00 34.50 32.24 3itm s PRO 592 CO 0.17 0.30 1.71 -0.24 0.04 0.00 0.00 177.00 178.98 3itm h VAL 593 N 3.42 0.40 0.00 -0.36 3.04 -1.97 0.29 116.25 121.07 3itm h VAL 593 Ca -0.45 -0.12 0.00 0.00 -1.01 0.00 0.00 66.70 65.12 3itm h VAL 593 Cb 1.21 0.02 0.00 0.00 -2.01 0.00 0.00 31.29 30.51 3itm h VAL 593 CO 0.69 0.06 0.00 0.00 -1.01 0.00 0.00 177.57 177.32 3itm n ALA 594 N -2.42 1.89 0.85 3.17 0.00 -1.26 -1.46 120.51 121.28 3itm n ALA 594 Ca 0.29 -0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.81 3itm n ALA 594 Cb 0.99 -1.34 0.03 0.00 0.00 0.00 0.00 19.45 19.13 3itm n ALA 594 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3itm n ALA 595 N -1.58 3.96 -0.03 0.00 0.00 0.10 -4.15 120.51 118.80 3itm n ALA 595 Ca 0.04 -0.47 -0.14 0.00 0.00 0.00 0.00 53.44 52.87 3itm n ALA 595 Cb 0.25 -0.93 -0.09 0.00 0.00 0.00 0.00 19.45 18.67 3itm n ALA 595 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3itm h ILE 596 N 0.00 1.44 -1.38 0.00 2.04 -1.27 -3.48 117.51 114.85 3itm h ILE 596 Ca 0.00 -1.60 0.13 0.00 1.00 0.00 0.00 64.86 64.40 3itm h ILE 596 Cb 0.58 2.32 -0.29 0.00 -0.74 0.00 0.00 36.82 38.69 3itm h ILE 596 CO 0.00 0.45 0.54 -0.62 0.00 0.00 0.00 178.15 178.52 3itm s ASP 597 N -6.19 -0.34 0.29 1.72 -1.08 -1.24 -5.02 116.67 104.81 3itm s ASP 597 Ca -0.15 0.57 0.18 0.00 -0.52 0.00 0.00 52.55 52.63 3itm s ASP 597 Cb 0.03 0.96 0.96 0.00 -1.46 0.00 0.00 42.92 43.41 3itm s ASP 597 CO 0.74 -0.09 1.52 -1.54 0.52 0.00 0.00 175.17 176.32 3itm n SER 598 N 3.01 0.46 -0.63 -0.34 3.41 -1.26 -1.32 113.62 116.94 3itm n SER 598 Ca -0.16 0.69 0.06 0.00 -0.26 0.00 0.00 58.87 59.20 3itm n SER 598 Cb 0.57 -0.73 0.16 0.00 -0.26 0.00 0.00 64.21 63.94 3itm n SER 598 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3itm n ASN 599 N -2.13 2.99 -0.12 4.04 4.05 -1.26 -4.73 115.26 118.10 3itm n ASN 599 Ca -0.01 -2.12 0.19 0.00 0.45 0.00 0.00 54.58 53.09 3itm n ASN 599 Cb 0.09 -0.26 0.59 0.00 1.23 0.00 0.00 39.78 41.43 3itm n ASN 599 CO 0.00 0.00 0.00 0.15 -3.05 0.00 0.00 177.26 174.36 3itm h PHE 600 N 1.89 0.28 -0.48 1.20 3.57 -1.52 -1.09 116.94 120.79 3itm h PHE 600 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3itm h PHE 600 Cb 0.80 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.46 3itm h PHE 600 CO 0.25 0.10 0.00 0.00 -2.23 0.00 0.00 178.31 176.43 3itm n ALA 601 N -2.58 3.58 -2.87 2.41 0.00 -1.26 -4.92 120.51 114.86 3itm n ALA 601 Ca 0.14 -2.04 -0.34 0.00 0.00 0.00 0.00 53.44 51.21 3itm n ALA 601 Cb 0.62 -0.99 -0.05 0.00 0.00 0.00 0.00 19.45 19.03 3itm n ALA 601 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3itm s SER 602 N -1.15 6.21 0.61 0.00 0.15 -0.41 -4.84 113.70 114.26 3itm s SER 602 Ca 0.51 0.31 0.29 0.00 0.70 0.00 0.00 55.95 57.76 3itm s SER 602 Cb 0.39 -1.92 1.58 0.00 -1.71 0.00 0.00 66.02 64.36 3itm s SER 602 CO 0.14 0.28 1.97 -0.26 1.20 0.00 0.00 173.24 176.57 3itm h PHE 603 N 3.99 0.00 0.00 3.44 0.04 -1.92 -1.30 116.94 121.19 3itm h PHE 603 Ca -0.49 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.28 3itm h PHE 603 Cb 1.19 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.34 3itm h PHE 603 CO 0.67 0.00 0.00 0.25 -0.60 0.00 0.00 178.31 178.63 3itm n THR 604 N -3.54 0.64 -2.33 -1.55 -2.24 -1.26 -4.85 114.28 99.15 3itm n THR 604 Ca 0.04 -0.08 -0.41 0.00 -2.27 0.00 0.00 64.05 61.33 3itm n THR 604 Cb 0.50 -0.78 -0.03 0.00 -2.10 0.00 0.00 70.33 67.91 3itm n THR 604 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3itm s TYR 605 N -3.16 3.37 -0.40 4.78 5.04 -0.49 -4.93 117.35 121.55 3itm s TYR 605 Ca 0.09 1.47 -0.05 0.00 -2.44 0.00 0.00 57.07 56.14 3itm s TYR 605 Cb 0.12 -3.47 0.10 0.00 0.35 0.00 0.00 41.96 39.06 3itm s TYR 605 CO 0.51 -1.26 0.21 0.95 -1.34 0.00 0.00 175.55 174.62 3itm s THR 606 N -0.57 3.52 0.61 4.34 -4.23 -1.26 -4.95 115.64 113.10 3itm s THR 606 Ca 0.50 -1.83 0.33 0.00 -1.18 0.00 0.00 61.69 59.51 3itm s THR 606 Cb -0.35 -3.31 0.38 0.00 1.34 0.00 0.00 72.50 70.56 3itm s THR 606 CO 0.41 -0.60 2.28 1.55 -0.54 0.00 0.00 174.62 177.73 3itm h PRO 607 N 8.15 0.00 0.00 3.99 0.13 -1.94 -1.83 132.00 140.49 3itm h PRO 607 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 3itm h PRO 607 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3itm h PRO 607 CO 0.71 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 179.02 3itm n ARG 608 N -3.69 0.15 0.00 0.86 1.74 -1.26 -1.75 116.66 112.72 3itm n ARG 608 Ca -0.03 0.18 0.13 0.00 -0.77 0.00 0.00 57.85 57.36 3itm n ARG 608 Cb 0.08 -1.50 0.40 0.00 -1.02 0.00 0.00 32.46 30.42 3itm n ARG 608 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3itm n SER 609 N -1.33 1.82 -4.73 0.55 7.64 -0.69 -4.87 113.62 112.02 3itm n SER 609 Ca 0.06 -1.57 -0.41 0.00 1.01 0.00 0.00 58.87 57.96 3itm n SER 609 Cb 0.12 0.02 -0.04 0.00 -1.01 0.00 0.00 64.21 63.30 3itm n SER 609 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3itm s LEU 610 N -2.05 4.42 0.36 -3.43 2.96 -0.72 -4.98 118.68 115.24 3itm s LEU 610 Ca 0.34 1.54 -0.27 0.00 -0.22 0.00 0.00 54.13 55.52 3itm s LEU 610 Cb 0.21 -3.38 -0.12 0.00 0.50 0.00 0.00 46.19 43.40 3itm s LEU 610 CO 0.35 -0.10 1.25 -2.65 -1.32 0.00 0.00 176.35 173.87 3itm n PRO 611 N 3.26 1.98 -0.20 0.98 -0.02 -1.26 -4.85 135.00 134.90 3itm n PRO 611 Ca 0.01 0.70 0.18 0.00 -2.02 0.00 0.00 63.50 62.37 3itm n PRO 611 Cb 0.50 -2.29 0.52 0.00 -0.02 0.00 0.00 33.50 32.22 3itm n PRO 611 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3itm h GLU 612 N 2.34 0.37 0.00 -0.52 4.81 -1.94 -1.49 114.58 118.15 3itm h GLU 612 Ca -0.46 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 58.74 3itm h GLU 612 Cb 1.29 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.59 3itm h GLU 612 CO 0.61 0.24 -0.05 -0.44 -0.73 0.00 0.00 179.01 178.65 3itm h ASP 613 N 0.38 0.00 -0.25 1.04 3.32 -2.04 -2.48 116.42 116.39 3itm h ASP 613 Ca 0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.47 3itm h ASP 613 Cb 1.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.60 3itm h ASP 613 CO -0.14 0.05 0.00 0.47 -1.72 0.00 0.00 179.24 177.90 3itm n ASP 614 N -3.31 3.28 0.12 6.45 8.00 -0.56 -4.60 116.55 125.93 3itm n ASP 614 Ca -0.02 -1.98 -0.02 0.00 0.71 0.00 0.00 54.79 53.48 3itm n ASP 614 Cb 0.20 -0.16 0.11 0.00 -0.02 0.00 0.00 41.12 41.25 3itm n ASP 614 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 3itm h THR 615 N 4.50 1.49 -0.15 -3.53 1.35 -1.47 -2.78 112.91 112.33 3itm h THR 615 Ca 0.00 -2.41 -0.04 0.00 -0.55 0.00 0.00 66.41 63.41 3itm h THR 615 Cb 0.98 2.30 -0.00 0.00 -1.73 0.00 0.00 68.15 69.70 3itm h THR 615 CO 0.00 0.68 -0.07 0.28 -0.25 0.00 0.00 175.52 176.17 3itm h SER 616 N 0.00 0.32 -0.84 5.36 0.02 -1.81 -1.27 113.55 115.33 3itm h SER 616 Ca -0.01 -0.41 0.13 0.00 -0.84 0.00 0.00 61.79 60.66 3itm h SER 616 Cb 1.25 -0.09 -0.09 0.00 0.14 0.00 0.00 62.40 63.61 3itm h SER 616 CO 0.09 0.65 0.44 -0.03 -1.14 0.00 0.00 176.83 176.85 3itm h MET 617 N -0.02 0.65 -0.25 3.45 -1.53 -1.86 -2.57 114.93 112.80 3itm h MET 617 Ca 0.03 -0.04 -0.14 0.00 -3.44 0.00 0.00 59.70 56.11 3itm h MET 617 Cb 0.53 -0.15 -0.01 0.00 -0.55 0.00 0.00 31.60 31.43 3itm h MET 617 CO 0.02 0.43 -0.44 0.00 0.14 0.00 0.00 176.91 177.07 3itm h ALA 618 N 1.52 0.78 -0.09 0.39 0.00 -1.18 0.23 119.26 120.91 3itm h ALA 618 Ca 0.44 -0.46 0.04 0.00 0.00 0.00 0.00 54.91 54.93 3itm h ALA 618 Cb 0.55 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 3itm h ALA 618 CO -0.32 0.66 -0.17 0.82 0.00 0.00 0.00 179.25 180.23 3itm h ILE 619 N 0.49 0.56 -0.81 0.00 1.08 -1.04 -1.60 117.51 116.20 3itm h ILE 619 Ca 0.04 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.50 3itm h ILE 619 Cb 0.96 0.56 -0.04 0.00 -3.07 0.00 0.00 36.82 35.23 3itm h ILE 619 CO 0.09 0.00 0.50 -0.07 -0.69 0.00 0.00 178.15 177.97 3itm h LEU 620 N -0.24 0.95 -1.20 1.44 3.38 -1.00 -2.04 115.31 116.61 3itm h LEU 620 Ca 0.08 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.02 3itm h LEU 620 Cb 0.36 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 3itm h LEU 620 CO -0.23 0.72 0.55 0.28 0.09 0.00 0.00 178.44 179.85 3itm h SER 621 N 1.11 0.93 -0.22 -0.43 0.02 -0.59 -1.21 113.55 113.16 3itm h SER 621 Ca 0.29 -0.02 -0.13 0.00 -0.84 0.00 0.00 61.79 61.08 3itm h SER 621 Cb -0.07 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.24 3itm h SER 621 CO -0.06 0.67 -0.39 0.24 -1.14 0.00 0.00 176.83 176.16 3itm h MET 622 N 1.10 0.65 -0.35 3.45 2.86 -0.70 -0.98 114.93 120.96 3itm h MET 622 Ca 0.31 -0.41 -0.08 0.00 -2.06 0.00 0.00 59.70 57.46 3itm h MET 622 Cb -0.10 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 3itm h MET 622 CO -0.07 1.02 -0.13 -0.07 1.06 0.00 0.00 176.91 178.73 3itm h LEU 623 N 0.35 0.60 0.05 1.22 3.38 -1.17 -0.28 115.31 119.46 3itm h LEU 623 Ca 0.01 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 3itm h LEU 623 Cb 0.98 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.57 3itm h LEU 623 CO 0.09 0.76 -0.02 -0.61 0.09 0.00 0.00 178.44 178.74 3itm h GLN 624 N 0.56 -0.07 0.00 1.13 4.15 -1.02 -1.82 115.11 118.04 3itm h GLN 624 Ca 0.10 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.47 3itm h GLN 624 Cb 0.55 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.24 3itm h GLN 624 CO 0.03 0.21 -0.24 0.22 -1.93 0.00 0.00 178.83 177.12 3itm h ASP 625 N -0.34 0.00 0.22 -0.69 1.82 -1.01 0.52 116.42 116.95 3itm h ASP 625 Ca -0.01 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.63 3itm h ASP 625 Cb 0.31 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.32 3itm h ASP 625 CO 0.01 0.24 -0.00 0.23 -1.61 0.00 0.00 179.24 178.11 3itm n MET 626 N -3.56 0.79 -1.00 0.28 2.81 -0.13 -4.92 117.12 111.39 3itm n MET 626 Ca -0.01 -0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.86 3itm n MET 626 Cb 0.39 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.40 3itm n MET 626 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 3itm n ASN 627 N -1.08 -3.36 0.09 7.83 5.15 0.18 -4.90 115.26 119.17 3itm n ASN 627 Ca 0.20 0.00 -0.06 0.00 -0.60 0.00 0.00 54.58 54.12 3itm n ASN 627 Cb 0.17 -0.98 0.08 0.00 -0.53 0.00 0.00 39.78 38.51 3itm n ASN 627 CO 0.00 0.00 0.00 -0.26 1.40 0.00 0.00 177.26 178.40 3itm h PHE 628 N 0.00 0.24 0.19 1.20 0.05 -1.53 -1.95 116.94 115.13 3itm h PHE 628 Ca 0.00 -0.11 -0.01 0.00 3.82 0.00 0.00 57.97 61.67 3itm h PHE 628 Cb 0.16 -0.04 0.00 0.00 2.00 0.00 0.00 35.95 38.08 3itm h PHE 628 CO 0.10 0.83 -0.09 0.82 -0.18 0.00 0.00 178.31 179.79 3itm h ILE 629 N 0.12 0.92 0.24 -0.55 2.04 -1.83 -2.23 117.51 116.21 3itm h ILE 629 Ca -0.02 -0.78 0.00 0.00 1.00 0.00 0.00 64.86 65.07 3itm h ILE 629 Cb 1.27 1.36 -0.02 0.00 -0.74 0.00 0.00 36.82 38.69 3itm h ILE 629 CO 0.11 0.17 -0.26 -1.13 0.00 0.00 0.00 178.15 177.04 3itm h ASN 630 N -0.65 -0.70 -0.62 1.72 -0.00 -1.89 -0.67 115.58 112.77 3itm h ASN 630 Ca -0.03 0.07 -0.08 0.00 -0.00 0.00 0.00 56.30 56.26 3itm h ASN 630 Cb 0.47 0.24 -0.02 0.00 -0.00 0.00 0.00 38.32 39.01 3itm h ASN 630 CO 0.04 -0.37 0.07 -1.13 -0.00 0.00 0.00 177.43 176.04 3itm h ASN 631 N -0.54 1.02 -0.43 1.15 -1.24 -1.39 -2.34 115.58 111.81 3itm h ASN 631 Ca -0.00 -0.25 0.00 0.00 0.71 0.00 0.00 56.30 56.75 3itm h ASN 631 Cb 0.51 -0.27 0.00 0.00 0.73 0.00 0.00 38.32 39.29 3itm h ASN 631 CO -0.07 1.03 0.00 -1.22 -1.29 0.00 0.00 177.43 175.88 3itm n TYR 632 N -4.20 0.56 -4.11 0.67 4.02 -0.84 -4.95 117.16 108.30 3itm n TYR 632 Ca 0.04 -0.28 -0.30 0.00 -0.01 0.00 0.00 57.90 57.34 3itm n TYR 632 Cb 0.31 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.59 3itm n TYR 632 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 3itm n LYS 633 N 1.03 -2.86 -2.16 -0.72 5.02 -0.37 -4.86 118.16 113.24 3itm n LYS 633 Ca 0.18 0.34 -0.42 0.00 -2.02 0.00 0.00 58.31 56.39 3itm n LYS 633 Cb 0.47 -4.60 -0.03 0.00 -0.02 0.00 0.00 35.03 30.85 3itm n LYS 633 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3itm s ILE 634 N -3.77 3.69 0.12 -0.18 1.01 -0.58 -4.98 121.20 116.52 3itm s ILE 634 Ca 0.28 0.98 -0.32 0.00 0.00 0.00 0.00 60.65 61.60 3itm s ILE 634 Cb -0.16 -3.63 -0.11 0.00 0.01 0.00 0.00 42.46 38.57 3itm s ILE 634 CO 0.92 -0.04 1.81 -0.67 0.00 0.00 0.00 174.94 176.96 3itm n ASP 635 N 6.14 3.94 0.02 3.58 2.03 -1.26 -4.92 116.55 126.09 3itm n ASP 635 Ca 0.15 1.00 -0.19 0.00 0.52 0.00 0.00 54.79 56.27 3itm n ASP 635 Cb 0.43 -1.53 -0.11 0.00 -0.72 0.00 0.00 41.12 39.19 3itm n ASP 635 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3itm h PRO 637 N -0.01 0.68 -0.30 0.00 0.11 -1.98 -0.97 132.00 129.53 3itm h PRO 637 Ca -0.10 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.93 3itm h PRO 637 Cb 1.47 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.41 3itm h PRO 637 CO 0.15 0.45 0.04 1.15 -0.21 0.00 0.00 178.00 179.58 3itm h THR 638 N 0.70 1.24 -0.40 -1.15 2.02 -1.72 -1.08 112.91 112.52 3itm h THR 638 Ca 0.53 -0.83 -0.03 0.00 0.77 0.00 0.00 66.41 66.85 3itm h THR 638 Cb 0.78 1.21 -0.02 0.00 -1.74 0.00 0.00 68.15 68.38 3itm h THR 638 CO -0.38 0.27 0.14 0.25 0.37 0.00 0.00 175.52 176.18 3itm h LEU 639 N 0.31 0.52 -0.14 2.58 5.85 -0.95 -0.16 115.31 123.33 3itm h LEU 639 Ca 0.09 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 3itm h LEU 639 Cb 0.36 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.26 3itm h LEU 639 CO 0.01 0.49 -0.04 0.00 -0.34 0.00 0.00 178.44 178.56 3itm h ALA 640 N 1.59 0.19 -0.72 1.25 0.00 -0.76 -1.43 119.26 119.39 3itm h ALA 640 Ca 0.14 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3itm h ALA 640 Cb 0.15 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3itm h ALA 640 CO -0.01 -0.05 0.42 0.00 0.00 0.00 0.00 179.25 179.61 3itm h ARG 641 N -0.05 0.99 0.17 0.00 3.08 -0.81 -0.43 114.38 117.33 3itm h ARG 641 Ca 0.03 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 3itm h ARG 641 Cb 0.48 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.32 3itm h ARG 641 CO 0.02 0.71 -0.11 0.35 -1.07 0.00 0.00 179.97 179.87 3itm h PHE 642 N 0.99 -0.28 -0.71 3.04 3.57 -0.96 -0.00 116.94 122.59 3itm h PHE 642 Ca 0.26 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.70 3itm h PHE 642 Cb -0.01 0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.80 3itm h PHE 642 CO -0.01 -0.17 0.24 0.00 -2.23 0.00 0.00 178.31 176.14 3itm h LEU 644 N 1.05 1.02 -0.30 0.00 4.07 -0.88 -2.32 115.31 117.95 3itm h LEU 644 Ca 0.23 -0.00 -0.07 0.00 0.08 0.00 0.00 57.88 58.12 3itm h LEU 644 Cb 0.28 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.79 3itm h LEU 644 CO -0.01 0.69 -0.07 -0.03 -1.08 0.00 0.00 178.44 177.94 3itm h MET 645 N 1.18 0.58 -0.22 1.13 4.05 -0.55 -1.96 114.93 119.14 3itm h MET 645 Ca 0.39 -0.22 -0.01 0.00 -0.28 0.00 0.00 59.70 59.58 3itm h MET 645 Cb 0.04 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 30.79 3itm h MET 645 CO -0.13 0.77 0.12 -0.39 0.23 0.00 0.00 176.91 177.50 3itm h VAL 646 N 0.35 1.12 -0.98 -5.77 -1.51 -1.09 -2.50 116.25 105.87 3itm h VAL 646 Ca 0.08 -0.32 0.15 0.00 -1.23 0.00 0.00 66.70 65.38 3itm h VAL 646 Cb 0.55 0.92 -0.10 0.00 -2.13 0.00 0.00 31.29 30.54 3itm h VAL 646 CO 0.03 0.11 0.60 0.50 -1.23 0.00 0.00 177.57 177.58 3itm h LYS 647 N 0.25 0.82 0.00 5.19 3.64 -1.36 -1.02 116.57 124.09 3itm h LYS 647 Ca 0.08 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.37 3itm h LYS 647 Cb 0.08 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 3itm h LYS 647 CO -0.01 0.54 -0.18 -0.22 -2.27 0.00 0.00 179.45 177.31 3itm h LYS 648 N 0.84 0.00 0.00 1.90 3.64 -1.01 -3.10 116.57 118.84 3itm h LYS 648 Ca 0.53 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.91 3itm h LYS 648 Cb 0.69 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 3itm h LYS 648 CO -0.33 0.18 -0.52 0.78 -2.27 0.00 0.00 179.45 177.28 3itm h GLY 649 N 3.05 0.00 -4.11 5.01 0.00 -0.76 -3.45 103.07 102.81 3itm h GLY 649 Ca -0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 3itm h GLY 649 CO 0.02 0.00 0.79 -0.19 0.00 0.00 0.00 176.54 177.16 3itm s TYR 650 N -3.17 2.80 1.11 5.60 1.51 -1.14 -4.95 117.35 119.11 3itm s TYR 650 Ca 0.07 1.05 -0.19 0.00 -1.01 0.00 0.00 57.07 56.98 3itm s TYR 650 Cb 0.13 -3.95 0.26 0.00 -0.11 0.00 0.00 41.96 38.30 3itm s TYR 650 CO 0.70 -2.96 1.25 1.03 -1.11 0.00 0.00 175.55 174.46 3itm s ARG 651 N -1.16 -0.55 -0.44 -0.62 0.52 -1.26 -4.95 118.95 110.49 3itm s ARG 651 Ca 0.57 -0.39 0.07 0.00 -0.52 0.00 0.00 55.73 55.46 3itm s ARG 651 Cb -0.45 -1.71 0.41 0.00 0.52 0.00 0.00 34.95 33.72 3itm s ARG 651 CO 0.52 -3.21 1.03 -0.40 0.02 0.00 0.00 175.30 173.27 3itm n ASP 652 N -4.33 3.97 -4.75 0.23 5.75 -1.26 -4.32 116.55 111.84 3itm n ASP 652 Ca 0.16 -3.52 -0.29 0.00 -0.01 0.00 0.00 54.79 51.13 3itm n ASP 652 Cb 0.59 -0.50 0.14 0.00 -1.03 0.00 0.00 41.12 40.32 3itm n ASP 652 CO 0.00 0.00 0.00 -2.16 -0.11 0.00 0.00 177.20 174.93 3itm s PRO 653 N -3.41 1.22 0.37 0.11 0.04 -1.26 -4.91 135.00 127.16 3itm s PRO 653 Ca 0.45 0.57 0.14 0.00 0.04 0.00 0.00 61.00 62.19 3itm s PRO 653 Cb 0.38 -1.82 0.98 0.00 0.04 0.00 0.00 34.50 34.08 3itm s PRO 653 CO -0.14 -2.20 1.80 -1.35 0.04 0.00 0.00 177.00 175.15 3itm h PRO 654 N -1.51 0.50 0.00 0.56 0.11 -1.89 -3.40 132.00 126.37 3itm h PRO 654 Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3itm h PRO 654 Cb 1.30 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3itm h PRO 654 CO 0.58 0.33 -0.20 0.98 -0.21 0.00 0.00 178.00 179.48 3itm n TYR 655 N -4.63 0.00 -0.98 0.65 9.36 -1.26 -4.83 117.16 115.48 3itm n TYR 655 Ca 0.22 0.00 -0.29 0.00 3.32 0.00 0.00 57.90 61.15 3itm n TYR 655 Cb 0.71 -0.10 -0.02 0.00 -0.63 0.00 0.00 39.34 39.30 3itm n TYR 655 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 3itm n HIS 656 N -3.23 1.80 -3.63 2.98 8.25 -1.26 -4.25 115.22 115.89 3itm n HIS 656 Ca -0.03 -2.33 0.00 0.00 -0.26 0.00 0.00 57.72 55.10 3itm n HIS 656 Cb 0.11 -1.95 0.00 0.00 1.12 0.00 0.00 29.99 29.26 3itm n HIS 656 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3itm n ASN 657 N 4.34 1.84 0.04 0.41 0.23 -1.26 -4.60 115.26 116.25 3itm n ASN 657 Ca 0.55 -0.71 -0.12 0.00 -0.53 0.00 0.00 54.58 53.77 3itm n ASN 657 Cb 0.19 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 37.81 3itm n ASN 657 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 3itm h TRP 658 N 0.65 -0.02 -0.93 -2.53 2.91 -1.88 -1.89 115.95 112.26 3itm h TRP 658 Ca 0.00 -0.00 0.22 0.00 1.13 0.00 0.00 58.89 60.24 3itm h TRP 658 Cb 0.00 0.01 -0.12 0.00 -0.51 0.00 0.00 29.16 28.54 3itm h TRP 658 CO 0.00 0.09 0.47 0.52 -1.03 0.00 0.00 178.44 178.49 3itm h MET 659 N -0.13 0.48 0.28 2.65 2.86 -1.97 0.73 114.93 119.83 3itm h MET 659 Ca -0.00 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 3itm h MET 659 Cb 0.13 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.68 3itm h MET 659 CO 0.00 0.32 -0.13 1.25 1.06 0.00 0.00 176.91 179.41 3itm h HIS 660 N 0.50 -0.35 -0.52 -0.22 -0.00 -1.57 -0.73 115.15 112.27 3itm h HIS 660 Ca 0.57 -0.01 0.07 0.00 -0.00 0.00 0.00 60.37 61.00 3itm h HIS 660 Cb 1.05 0.11 -0.06 0.00 -0.00 0.00 0.00 27.41 28.52 3itm h HIS 660 CO -0.09 -0.17 0.19 0.00 -0.00 0.00 0.00 177.93 177.86 3itm h ALA 661 N 0.28 0.64 -0.42 5.26 0.00 -0.37 -0.53 119.26 124.11 3itm h ALA 661 Ca -0.04 0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.97 3itm h ALA 661 Cb 0.33 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 3itm h ALA 661 CO 0.06 -0.20 0.21 0.35 0.00 0.00 0.00 179.25 179.67 3itm h PHE 662 N 0.38 0.38 0.00 0.00 3.57 0.50 0.43 116.94 122.20 3itm h PHE 662 Ca 0.25 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.66 3itm h PHE 662 Cb 0.26 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 3itm h PHE 662 CO -0.16 0.19 -0.49 0.66 -2.23 0.00 0.00 178.31 176.28 3itm h SER 663 N 0.42 0.00 -0.30 0.41 4.64 -0.65 0.11 113.55 118.17 3itm h SER 663 Ca 0.18 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.47 3itm h SER 663 Cb 0.10 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 3itm h SER 663 CO -0.13 0.49 0.04 0.58 -0.87 0.00 0.00 176.83 176.94 3itm h VAL 664 N 0.00 1.24 -0.57 0.95 2.07 -0.55 -2.15 116.25 117.24 3itm h VAL 664 Ca -0.00 -0.82 0.05 0.00 0.82 0.00 0.00 66.70 66.74 3itm h VAL 664 Cb 0.94 1.20 -0.05 0.00 -1.52 0.00 0.00 31.29 31.86 3itm h VAL 664 CO 0.06 0.27 0.30 0.28 0.02 0.00 0.00 177.57 178.50 3itm h SER 665 N 0.32 0.43 -0.30 0.57 0.02 -0.46 -1.10 113.55 113.03 3itm h SER 665 Ca 0.09 0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 61.02 3itm h SER 665 Cb 0.36 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.83 3itm h SER 665 CO 0.01 0.29 0.02 -0.74 -1.14 0.00 0.00 176.83 175.26 3itm h HIS 666 N 0.56 0.64 0.00 3.45 6.17 -0.70 -1.13 115.15 124.14 3itm h HIS 666 Ca 0.25 -0.07 -0.09 0.00 0.71 0.00 0.00 60.37 61.18 3itm h HIS 666 Cb 0.16 -0.18 -0.01 0.00 2.52 0.00 0.00 27.41 29.89 3itm h HIS 666 CO -0.10 0.61 -0.41 0.35 0.71 0.00 0.00 177.93 179.10 3itm h PHE 667 N 0.59 0.00 -0.53 5.26 3.57 -0.56 -1.10 116.94 124.16 3itm h PHE 667 Ca 0.13 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.53 3itm h PHE 667 Cb 0.35 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 3itm h PHE 667 CO 0.01 0.41 -0.04 0.00 -2.23 0.00 0.00 178.31 176.46 3itm h TYR 669 N 0.84 0.28 -0.45 0.00 3.20 -0.91 -1.26 116.97 118.67 3itm h TYR 669 Ca 0.15 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.00 3itm h TYR 669 Cb 0.58 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.76 3itm h TYR 669 CO 0.04 0.13 0.12 -0.07 -1.64 0.00 0.00 178.16 176.74 3itm h LEU 670 N 0.33 0.61 -0.38 2.82 3.38 -0.57 0.46 115.31 121.97 3itm h LEU 670 Ca 0.17 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 3itm h LEU 670 Cb 0.13 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3itm h LEU 670 CO -0.16 0.61 -0.06 -0.07 0.09 0.00 0.00 178.44 178.84 3itm h LEU 671 N 0.65 0.71 -0.44 1.67 3.38 -0.87 -0.26 115.31 120.15 3itm h LEU 671 Ca 0.15 -0.35 0.08 0.00 0.09 0.00 0.00 57.88 57.85 3itm h LEU 671 Cb 0.23 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 40.72 3itm h LEU 671 CO -0.00 0.89 0.03 0.22 0.09 0.00 0.00 178.44 179.67 3itm h TYR 672 N 0.51 0.04 -0.18 1.13 3.20 0.04 0.58 116.97 122.30 3itm h TYR 672 Ca 0.10 0.03 -0.15 0.00 3.14 0.00 0.00 58.73 61.85 3itm h TYR 672 Cb 0.57 0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.89 3itm h TYR 672 CO 0.05 -0.06 -0.47 0.87 -1.64 0.00 0.00 178.16 176.91 3itm h LYS 673 N 0.15 0.63 0.00 1.82 1.79 -0.88 -2.80 116.57 117.29 3itm h LYS 673 Ca 0.22 -0.44 -0.16 0.00 -2.18 0.00 0.00 60.65 58.09 3itm h LYS 673 Cb 0.31 0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 31.00 3itm h LYS 673 CO -0.34 1.06 -1.65 0.09 -1.08 0.00 0.00 179.45 177.54 3itm n ASN 674 N -4.20 0.57 -0.29 0.86 3.02 -0.12 -4.08 115.26 111.03 3itm n ASN 674 Ca -0.06 0.25 0.09 0.00 -0.03 0.00 0.00 54.58 54.82 3itm n ASN 674 Cb 0.58 0.64 -0.03 0.00 -0.61 0.00 0.00 39.78 40.36 3itm n ASN 674 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3itm n LEU 675 N -2.74 1.47 -3.18 3.41 4.77 0.18 -4.94 117.00 115.97 3itm n LEU 675 Ca -0.12 -0.69 -0.09 0.00 -0.03 0.00 0.00 56.01 55.09 3itm n LEU 675 Cb 0.82 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.95 3itm n LEU 675 CO 0.43 0.29 0.17 -0.62 -1.33 0.00 0.00 177.39 176.33 3itm n GLU 676 N -0.48 -1.79 0.26 3.23 1.02 -1.06 -4.89 120.64 116.93 3itm n GLU 676 Ca 0.06 1.14 0.12 0.00 -0.02 0.00 0.00 57.16 58.46 3itm n GLU 676 Cb 0.35 -5.72 0.70 0.00 -0.02 0.00 0.00 31.44 26.75 3itm n GLU 676 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3itm h LEU 677 N -0.40 0.00 -2.47 -4.62 3.38 -1.73 -2.79 115.31 106.68 3itm h LEU 677 Ca -0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.63 3itm h LEU 677 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 3itm h LEU 677 CO 0.38 0.13 0.00 0.71 0.09 0.00 0.00 178.44 179.74 3itm h THR 678 N 0.00 0.00 0.00 0.22 1.35 -1.86 0.63 112.91 113.25 3itm h THR 678 Ca -0.00 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 3itm h THR 678 Cb 0.32 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 67.76 3itm h THR 678 CO 0.02 0.00 0.00 0.59 -0.25 0.00 0.00 175.52 175.88 3itm n ASN 679 N -2.95 0.00 -0.00 5.36 3.02 -1.05 -4.23 115.26 115.40 3itm n ASN 679 Ca -0.02 -0.11 -0.00 0.00 -0.03 0.00 0.00 54.58 54.42 3itm n ASN 679 Cb 0.11 -0.29 -0.00 0.00 -0.61 0.00 0.00 39.78 38.99 3itm n ASN 679 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3itm n TYR 680 N -1.29 0.00 -4.50 3.10 4.02 0.20 -5.01 117.16 113.68 3itm n TYR 680 Ca 0.14 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.79 3itm n TYR 680 Cb 0.24 -0.01 -0.11 0.00 -0.02 0.00 0.00 39.34 39.44 3itm n TYR 680 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3itm s LEU 681 N -4.91 2.51 0.72 7.72 1.43 -0.11 -4.86 118.68 121.18 3itm s LEU 681 Ca -0.00 -1.31 -0.11 0.00 -1.03 0.00 0.00 54.13 51.67 3itm s LEU 681 Cb 0.00 -0.65 0.02 0.00 0.03 0.00 0.00 46.19 45.59 3itm s LEU 681 CO 0.01 -0.46 1.10 -1.61 0.23 0.00 0.00 176.35 175.62 3itm s GLU 682 N -3.77 2.72 0.16 1.70 2.02 -1.26 -4.58 118.70 115.70 3itm s GLU 682 Ca 0.34 0.50 -0.14 0.00 0.02 0.00 0.00 54.97 55.68 3itm s GLU 682 Cb 0.07 -2.00 0.05 0.00 0.10 0.00 0.00 34.13 32.35 3itm s GLU 682 CO 0.15 -1.14 1.77 -0.44 0.02 0.00 0.00 175.26 175.63 3itm h ASP 683 N -0.73 0.63 -0.11 -0.19 3.32 -1.97 -1.63 116.42 115.74 3itm h ASP 683 Ca -0.45 -0.09 -0.05 0.00 0.02 0.00 0.00 57.03 56.46 3itm h ASP 683 Cb 1.26 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.63 3itm h ASP 683 CO 0.63 0.54 -0.07 -0.29 -1.72 0.00 0.00 179.24 178.34 3itm h ILE 684 N 0.67 1.19 -0.28 0.35 2.10 -1.98 -0.86 117.51 118.69 3itm h ILE 684 Ca 0.18 -0.79 -0.06 0.00 1.08 0.00 0.00 64.86 65.27 3itm h ILE 684 Cb 0.05 1.08 -0.01 0.00 -1.09 0.00 0.00 36.82 36.85 3itm h ILE 684 CO -0.03 0.26 -0.06 -0.33 -1.08 0.00 0.00 178.15 176.91 3itm h GLU 685 N 0.37 0.54 -0.20 2.19 5.08 -1.69 -1.40 114.58 119.48 3itm h GLU 685 Ca 0.08 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 3itm h GLU 685 Cb 0.36 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 3itm h GLU 685 CO 0.02 0.74 0.12 0.82 -1.00 0.00 0.00 179.01 179.71 3itm h ILE 686 N 0.31 1.07 -0.98 3.13 2.04 -1.01 -1.55 117.51 120.52 3itm h ILE 686 Ca 0.07 -0.15 0.12 0.00 1.00 0.00 0.00 64.86 65.90 3itm h ILE 686 Cb 0.53 0.82 -0.08 0.00 -0.74 0.00 0.00 36.82 37.35 3itm h ILE 686 CO 0.03 0.06 0.62 0.15 0.00 0.00 0.00 178.15 179.01 3itm h PHE 687 N 0.25 1.08 0.00 1.37 -0.00 -1.12 -0.46 116.94 118.07 3itm h PHE 687 Ca 0.07 0.03 -0.12 0.00 -0.00 0.00 0.00 57.97 57.95 3itm h PHE 687 Cb -0.00 -0.34 -0.02 0.00 -0.00 0.00 0.00 35.95 35.59 3itm h PHE 687 CO -0.06 0.43 -0.59 0.00 -0.00 0.00 0.00 178.31 178.09 3itm h ALA 688 N 1.55 0.88 -0.18 2.41 0.00 -0.87 -2.22 119.26 120.84 3itm h ALA 688 Ca 0.48 -0.54 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 3itm h ALA 688 Cb 0.52 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 3itm h ALA 688 CO -0.25 0.74 -0.14 1.25 0.00 0.00 0.00 179.25 180.85 3itm h LEU 689 N 0.00 0.43 -0.33 0.00 5.85 -0.12 0.57 115.31 121.71 3itm h LEU 689 Ca -0.01 -0.46 -0.01 0.00 0.84 0.00 0.00 57.88 58.25 3itm h LEU 689 Cb 1.14 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.04 3itm h LEU 689 CO 0.08 0.80 0.18 0.15 -0.34 0.00 0.00 178.44 179.30 3itm h PHE 690 N 0.07 0.45 -0.27 1.25 3.57 -1.12 0.14 116.94 121.03 3itm h PHE 690 Ca 0.03 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.40 3itm h PHE 690 Cb 0.66 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 3itm h PHE 690 CO 0.08 0.36 -0.35 0.82 -2.23 0.00 0.00 178.31 176.99 3itm h ILE 691 N 0.41 1.29 -0.47 1.41 1.08 -1.16 -1.47 117.51 118.59 3itm h ILE 691 Ca 0.12 -1.48 -0.01 0.00 -0.39 0.00 0.00 64.86 63.10 3itm h ILE 691 Cb 0.06 1.46 -0.02 0.00 -3.07 0.00 0.00 36.82 35.24 3itm h ILE 691 CO -0.02 0.47 0.27 0.28 -0.69 0.00 0.00 178.15 178.46 3itm h SER 692 N 0.51 0.58 -0.73 1.72 0.02 -0.22 -2.13 113.55 113.30 3itm h SER 692 Ca 0.05 -0.08 0.12 0.00 -0.84 0.00 0.00 61.79 61.05 3itm h SER 692 Cb 0.84 -0.15 -0.09 0.00 0.14 0.00 0.00 62.40 63.15 3itm h SER 692 CO 0.07 0.50 0.31 0.00 -1.14 0.00 0.00 176.83 176.56 3itm h MET 694 N 0.48 1.20 -0.02 0.00 2.07 -0.79 -3.25 114.93 114.63 3itm h MET 694 Ca 0.38 -0.10 0.00 0.00 -2.07 0.00 0.00 59.70 57.92 3itm h MET 694 Cb 0.53 -0.26 0.00 0.00 -1.87 0.00 0.00 31.60 30.00 3itm h MET 694 CO -0.36 0.83 -0.22 0.00 1.07 0.00 0.00 176.91 178.23 3itm n HIS 696 N 0.45 0.85 -1.20 0.00 1.44 0.08 -2.68 115.22 114.17 3itm n HIS 696 Ca 0.09 0.31 0.07 0.00 -2.01 0.00 0.00 57.72 56.18 3itm n HIS 696 Cb 0.44 -1.00 0.19 0.00 0.12 0.00 0.00 29.99 29.74 3itm n HIS 696 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 3itm n ASP 697 N -2.25 2.64 -0.33 4.39 8.00 -1.26 -4.76 116.55 122.97 3itm n ASP 697 Ca 0.03 -3.31 0.12 0.00 0.71 0.00 0.00 54.79 52.34 3itm n ASP 697 Cb 0.29 -0.51 0.33 0.00 -0.02 0.00 0.00 41.12 41.22 3itm n ASP 697 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3itm h LEU 698 N 0.77 0.76 -3.62 0.64 3.38 -1.83 -2.34 115.31 113.06 3itm h LEU 698 Ca 0.03 0.07 -0.41 0.00 0.09 0.00 0.00 57.88 57.66 3itm h LEU 698 Cb 1.21 -0.08 -0.25 0.00 0.09 0.00 0.00 40.66 41.63 3itm h LEU 698 CO 0.11 0.33 -0.13 -0.67 0.09 0.00 0.00 178.44 178.17 3itm n ASP 699 N -4.66 4.33 -4.69 -0.43 2.03 -1.26 -4.67 116.55 107.20 3itm n ASP 699 Ca 0.21 -3.78 -0.42 0.00 0.52 0.00 0.00 54.79 51.31 3itm n ASP 699 Cb 0.51 -0.61 -0.03 0.00 -0.72 0.00 0.00 41.12 40.27 3itm n ASP 699 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 3itm s HIS 700 N -3.49 2.65 -0.09 -0.67 5.65 -0.88 -4.71 115.29 113.74 3itm s HIS 700 Ca 0.51 0.53 0.10 0.00 0.25 0.00 0.00 55.06 56.45 3itm s HIS 700 Cb 0.43 -3.85 -0.14 0.00 -1.18 0.00 0.00 32.58 27.84 3itm s HIS 700 CO 0.01 -3.30 0.06 0.54 -0.65 0.00 0.00 174.74 171.40 3itm n ARG 701 N 5.32 2.03 -1.00 2.88 1.74 -1.26 -5.00 116.66 121.38 3itm n ARG 701 Ca 0.15 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.21 3itm n ARG 701 Cb 0.41 -1.27 0.00 0.00 -1.02 0.00 0.00 32.46 30.59 3itm n ARG 701 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3itm n GLY 702 N 2.29 0.50 3.56 -0.13 0.00 -1.26 -4.98 105.19 105.16 3itm n GLY 702 Ca -0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 3itm n GLY 702 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3itm s THR 703 N -2.02 3.59 -0.51 2.61 2.01 -1.26 -4.97 115.64 115.09 3itm s THR 703 Ca 0.00 0.39 -0.17 0.00 0.31 0.00 0.00 61.69 62.21 3itm s THR 703 Cb 0.00 -4.44 0.08 0.00 0.01 0.00 0.00 72.50 68.15 3itm s THR 703 CO 0.00 -1.34 0.54 0.54 -0.69 0.00 0.00 174.62 173.67 3itm s ASN 704 N 5.55 6.19 -0.11 3.53 4.22 -1.26 -4.89 114.94 128.16 3itm s ASN 704 Ca 0.51 -1.26 0.15 0.00 -2.14 0.00 0.00 52.86 50.13 3itm s ASN 704 Cb -0.10 -2.24 0.34 0.00 1.28 0.00 0.00 41.25 40.53 3itm s ASN 704 CO 0.19 -0.84 1.17 0.59 -2.04 0.00 0.00 177.10 176.17 3itm n ASN 705 N 5.74 1.43 -4.13 3.54 4.13 -1.26 -5.06 115.26 119.65 3itm n ASN 705 Ca -0.10 -3.00 -0.09 0.00 1.68 0.00 0.00 54.58 53.07 3itm n ASN 705 Cb 0.44 -0.41 -0.10 0.00 -1.54 0.00 0.00 39.78 38.17 3itm n ASN 705 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 3itm s SER 706 N -2.56 0.84 0.00 6.41 0.15 -1.26 -5.04 113.70 112.24 3itm s SER 706 Ca 0.31 -0.96 0.15 0.00 0.70 0.00 0.00 55.95 56.16 3itm s SER 706 Cb 0.31 0.13 -0.15 0.00 -1.71 0.00 0.00 66.02 64.60 3itm s SER 706 CO -0.07 -0.50 0.68 0.49 1.20 0.00 0.00 173.24 175.04 3itm n PHE 707 N 0.17 0.00 -0.22 3.44 3.01 -1.26 -4.58 117.46 118.02 3itm n PHE 707 Ca -0.14 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.24 3itm n PHE 707 Cb 0.60 0.00 0.03 0.00 -0.01 0.00 0.00 39.48 40.11 3itm n PHE 707 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 3itm h GLN 708 N 0.17 0.98 0.14 -1.08 4.20 -2.00 -1.79 115.11 115.73 3itm h GLN 708 Ca 0.00 -0.22 -0.30 0.00 0.06 0.00 0.00 58.65 58.19 3itm h GLN 708 Cb 0.38 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.03 3itm h GLN 708 CO 0.00 0.87 -1.51 0.28 -0.67 0.00 0.00 178.83 177.81 3itm h VAL 709 N 0.91 1.01 -0.90 -0.54 2.07 -1.92 -3.38 116.25 113.50 3itm h VAL 709 Ca 0.20 -2.44 0.21 0.00 0.82 0.00 0.00 66.70 65.49 3itm h VAL 709 Cb 0.31 2.75 -0.12 0.00 -1.52 0.00 0.00 31.29 32.71 3itm h VAL 709 CO -0.00 0.76 0.43 0.00 0.02 0.00 0.00 177.57 178.77 3itm h ALA 710 N 0.01 1.45 -1.43 1.67 0.00 -1.69 0.21 119.26 119.49 3itm h ALA 710 Ca -0.31 0.14 0.41 0.00 0.00 0.00 0.00 54.91 55.15 3itm h ALA 710 Cb 1.87 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 19.70 3itm h ALA 710 CO 0.10 -0.28 1.22 0.43 0.00 0.00 0.00 179.25 180.72 3itm n SER 711 N -4.99 0.00 -0.05 0.00 7.64 -0.68 -2.53 113.62 113.01 3itm n SER 711 Ca 0.22 0.81 -0.10 0.00 1.01 0.00 0.00 58.87 60.81 3itm n SER 711 Cb 0.62 -0.36 -0.04 0.00 -1.01 0.00 0.00 64.21 63.43 3itm n SER 711 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3itm n LYS 712 N -3.44 0.23 -3.66 1.43 4.76 0.68 -5.00 118.16 113.15 3itm n LYS 712 Ca 0.32 0.08 -0.06 0.00 -2.87 0.00 0.00 58.31 55.78 3itm n LYS 712 Cb 1.65 -0.98 -0.07 0.00 -1.84 0.00 0.00 35.03 33.79 3itm n LYS 712 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3itm s SER 713 N -5.60 -0.78 0.20 4.39 0.15 -0.80 -4.87 113.70 106.40 3itm s SER 713 Ca -0.14 1.31 -0.10 0.00 0.70 0.00 0.00 55.95 57.72 3itm s SER 713 Cb 0.05 1.54 0.13 0.00 -1.71 0.00 0.00 66.02 66.02 3itm s SER 713 CO 0.20 -0.22 1.79 0.58 1.20 0.00 0.00 173.24 176.78 3itm h VAL 714 N 5.65 1.23 -0.10 4.45 2.07 -1.82 -2.60 116.25 125.14 3itm h VAL 714 Ca -0.25 -0.66 -0.15 0.00 0.82 0.00 0.00 66.70 66.47 3itm h VAL 714 Cb 1.16 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 3itm h VAL 714 CO 0.16 0.27 -0.60 0.25 0.02 0.00 0.00 177.57 177.67 3itm h LEU 715 N 1.00 0.37 -1.31 2.57 5.85 -1.93 -2.72 115.31 119.15 3itm h LEU 715 Ca 0.25 -0.21 0.04 0.00 0.84 0.00 0.00 57.88 58.80 3itm h LEU 715 Cb 0.12 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 3itm h LEU 715 CO -0.03 0.88 0.49 0.00 -0.34 0.00 0.00 178.44 179.45 3itm h ALA 716 N 1.12 1.59 0.00 1.25 0.00 -1.81 0.59 119.26 122.00 3itm h ALA 716 Ca -0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3itm h ALA 716 Cb 1.12 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 3itm h ALA 716 CO 0.10 0.32 -0.07 0.00 0.00 0.00 0.00 179.25 179.61 3itm h ALA 717 N 1.57 1.26 0.13 0.00 0.00 -1.15 0.92 119.26 121.99 3itm h ALA 717 Ca 0.31 -0.06 -0.35 0.00 0.00 0.00 0.00 54.91 54.81 3itm h ALA 717 Cb 0.11 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3itm h ALA 717 CO -0.09 0.08 -1.85 -0.07 0.00 0.00 0.00 179.25 177.32 3itm h LEU 718 N 0.00 0.44 -0.70 0.00 3.38 -0.95 -3.35 115.31 114.13 3itm h LEU 718 Ca -0.00 -0.83 -0.12 0.00 0.09 0.00 0.00 57.88 57.02 3itm h LEU 718 Cb 0.23 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3itm h LEU 718 CO 0.01 1.72 -0.29 1.88 0.09 0.00 0.00 178.44 181.86 3itm h TYR 719 N 0.08 0.79 -3.62 1.13 0.99 -0.72 -3.46 116.97 112.16 3itm h TYR 719 Ca -0.37 -0.19 -0.56 0.00 2.00 0.00 0.00 58.73 59.60 3itm h TYR 719 Cb 2.05 -0.18 0.13 0.00 1.00 0.00 0.00 36.73 39.73 3itm h TYR 719 CO 0.08 0.90 0.50 0.45 -0.00 0.00 0.00 178.16 180.08 3itm n SER 720 N -4.09 2.54 -4.47 3.88 2.88 0.28 -5.00 113.62 109.63 3itm n SER 720 Ca -0.01 1.08 -0.29 0.00 -1.33 0.00 0.00 58.87 58.33 3itm n SER 720 Cb 0.46 -1.51 0.19 0.00 -0.75 0.00 0.00 64.21 62.59 3itm n SER 720 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 3itm s SER 721 N -0.60 2.38 0.29 -3.46 0.01 -1.26 -4.93 113.70 106.13 3itm s SER 721 Ca 0.63 0.95 0.11 0.00 1.31 0.00 0.00 55.95 58.95 3itm s SER 721 Cb -0.49 -1.47 -0.05 0.00 0.21 0.00 0.00 66.02 64.22 3itm s SER 721 CO 0.57 -3.26 -0.13 -1.61 0.41 0.00 0.00 173.24 169.22 3itm s GLU 722 N -5.18 1.85 0.00 12.44 2.02 -1.26 -4.37 118.70 124.20 3itm s GLU 722 Ca 0.67 -1.72 0.00 0.00 0.02 0.00 0.00 54.97 53.93 3itm s GLU 722 Cb -0.15 -1.85 0.00 0.00 0.10 0.00 0.00 34.13 32.23 3itm s GLU 722 CO 0.56 0.30 0.00 0.41 0.02 0.00 0.00 175.26 176.55 3itm n GLY 723 N -0.72 0.79 0.09 -1.39 0.00 -1.11 -4.78 105.19 98.06 3itm n GLY 723 Ca -0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.89 3itm n GLY 723 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3itm n SER 724 N 0.00 0.44 -0.09 1.61 2.88 -1.26 -4.25 113.62 112.95 3itm n SER 724 Ca 0.00 0.21 -0.11 0.00 -1.33 0.00 0.00 58.87 57.63 3itm n SER 724 Cb 0.00 0.51 -0.04 0.00 -0.75 0.00 0.00 64.21 63.93 3itm n SER 724 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 3itm n VAL 725 N -2.87 1.49 -4.13 2.46 0.31 -1.26 -4.94 118.33 109.39 3itm n VAL 725 Ca -0.23 0.08 -0.35 0.00 -0.01 0.00 0.00 64.34 63.83 3itm n VAL 725 Cb 1.07 -2.28 -0.09 0.00 -0.91 0.00 0.00 33.84 31.62 3itm n VAL 725 CO 0.00 0.00 0.00 -0.04 -1.32 0.00 0.00 176.83 175.47 3itm s MET 726 N -2.69 3.50 0.16 5.55 1.00 -1.26 -5.07 119.30 120.49 3itm s MET 726 Ca -0.27 -0.33 -0.31 0.00 0.00 0.00 0.00 55.69 54.77 3itm s MET 726 Cb 0.05 -3.05 -0.10 0.00 0.00 0.00 0.00 34.83 31.73 3itm s MET 726 CO 0.40 0.53 1.64 -2.00 0.00 0.00 0.00 175.02 175.59 3itm s GLU 727 N -0.37 4.18 0.45 2.03 2.12 -1.26 -2.75 118.70 123.11 3itm s GLU 727 Ca 0.09 2.44 0.04 0.00 0.36 0.00 0.00 54.97 57.89 3itm s GLU 727 Cb -0.12 -3.24 -0.04 0.00 0.26 0.00 0.00 34.13 30.99 3itm s GLU 727 CO 0.02 -0.68 0.01 1.03 -0.54 0.00 0.00 175.26 175.10 3itm s ARG 728 N 1.50 2.06 -0.26 4.30 1.81 -1.26 -4.89 118.95 122.20 3itm s ARG 728 Ca 0.73 -2.24 0.10 0.00 -1.72 0.00 0.00 55.73 52.59 3itm s ARG 728 Cb -0.45 -1.51 0.45 0.00 -0.45 0.00 0.00 34.95 33.00 3itm s ARG 728 CO 0.32 -0.22 1.19 0.72 -0.68 0.00 0.00 175.30 176.62 3itm n HIS 729 N -1.10 1.86 0.02 -0.53 8.25 -1.26 -4.74 115.22 117.72 3itm n HIS 729 Ca -0.12 -1.98 -0.12 0.00 -0.26 0.00 0.00 57.72 55.24 3itm n HIS 729 Cb 0.67 -0.30 -0.07 0.00 1.12 0.00 0.00 29.99 31.40 3itm n HIS 729 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3itm h HIS 730 N 1.89 0.03 0.42 4.41 3.86 -1.89 -0.83 115.15 123.04 3itm h HIS 730 Ca 0.21 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.41 3itm h HIS 730 Cb 1.40 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 29.85 3itm h HIS 730 CO 0.77 0.11 -0.30 0.35 0.86 0.00 0.00 177.93 179.72 3itm h PHE 731 N -0.07 -0.79 -0.91 2.45 3.57 -1.85 -1.55 116.94 117.80 3itm h PHE 731 Ca 0.01 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.63 3itm h PHE 731 Cb 0.09 0.29 -0.07 0.00 2.79 0.00 0.00 35.95 39.05 3itm h PHE 731 CO -0.05 -0.45 0.58 0.00 -2.23 0.00 0.00 178.31 176.17 3itm h ALA 732 N -0.21 1.72 -0.35 2.41 0.00 -1.89 0.71 119.26 121.66 3itm h ALA 732 Ca -0.04 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 3itm h ALA 732 Cb 0.60 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3itm h ALA 732 CO 0.02 0.06 -0.14 1.96 0.00 0.00 0.00 179.25 181.15 3itm h GLN 733 N 0.80 0.61 -0.50 0.00 4.20 -0.68 -1.18 115.11 118.36 3itm h GLN 733 Ca 0.44 -0.20 -0.06 0.00 0.06 0.00 0.00 58.65 58.90 3itm h GLN 733 Cb 0.58 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.29 3itm h GLN 733 CO -0.21 0.73 0.09 0.00 -0.67 0.00 0.00 178.83 178.78 3itm h ALA 734 N 1.29 0.66 -0.67 3.87 0.00 0.10 -1.85 119.26 122.66 3itm h ALA 734 Ca 0.10 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 3itm h ALA 734 Cb 0.56 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 3itm h ALA 734 CO 0.04 0.38 0.16 0.82 0.00 0.00 0.00 179.25 180.65 3itm h ILE 735 N 0.70 1.26 -0.54 0.00 1.08 -1.07 -1.19 117.51 117.75 3itm h ILE 735 Ca 0.15 -0.96 -0.05 0.00 -0.39 0.00 0.00 64.86 63.62 3itm h ILE 735 Cb 0.38 0.57 -0.02 0.00 -3.07 0.00 0.00 36.82 34.68 3itm h ILE 735 CO 0.01 0.36 0.13 0.00 -0.69 0.00 0.00 178.15 177.97 3itm h ALA 736 N 1.14 1.23 0.10 1.87 0.00 -0.97 0.25 119.26 122.87 3itm h ALA 736 Ca 0.21 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3itm h ALA 736 Cb 0.37 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3itm h ALA 736 CO 0.00 0.54 -0.05 0.82 0.00 0.00 0.00 179.25 180.56 3itm h ILE 737 N 0.79 0.99 -0.92 0.00 2.04 -1.04 -2.68 117.51 116.69 3itm h ILE 737 Ca 0.18 -0.30 0.13 0.00 1.00 0.00 0.00 64.86 65.87 3itm h ILE 737 Cb 0.29 1.18 -0.07 0.00 -0.74 0.00 0.00 36.82 37.48 3itm h ILE 737 CO -0.00 0.07 0.59 -0.07 0.00 0.00 0.00 178.15 178.74 3itm h LEU 738 N -0.27 0.74 -1.53 1.44 3.38 -0.38 0.35 115.31 119.05 3itm h LEU 738 Ca -0.01 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3itm h LEU 738 Cb 0.22 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3itm h LEU 738 CO 0.02 0.39 0.00 0.59 0.09 0.00 0.00 178.44 179.53 3itm n ASN 739 N -4.58 2.23 -4.73 -0.43 3.02 0.79 -2.93 115.26 108.64 3itm n ASN 739 Ca 0.18 -2.10 -0.40 0.00 -0.03 0.00 0.00 54.58 52.22 3itm n ASN 739 Cb 0.42 -0.32 -0.05 0.00 -0.61 0.00 0.00 39.78 39.23 3itm n ASN 739 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3itm s THR 740 N -1.59 4.83 0.04 3.41 2.01 0.12 -4.99 115.64 119.47 3itm s THR 740 Ca 0.25 1.66 -0.38 0.00 0.31 0.00 0.00 61.69 63.52 3itm s THR 740 Cb 0.14 -4.13 -0.18 0.00 0.01 0.00 0.00 72.50 68.34 3itm s THR 740 CO 0.15 0.30 1.22 1.57 -0.69 0.00 0.00 174.62 177.17 3itm n HIS 741 N 3.25 1.12 -1.03 4.92 -0.00 -1.26 -0.91 115.22 121.31 3itm n HIS 741 Ca -0.01 0.84 -0.01 0.00 0.46 0.00 0.00 57.72 59.00 3itm n HIS 741 Cb 0.51 -2.22 -0.01 0.00 -0.12 0.00 0.00 29.99 28.15 3itm n HIS 741 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3itm n GLY 742 N 2.09 0.49 0.00 1.57 0.00 -1.26 -4.91 105.19 103.17 3itm n GLY 742 Ca 0.19 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.95 3itm n GLY 742 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3itm s ASN 744 N -0.16 6.67 0.51 0.00 3.84 -1.15 -4.57 114.94 120.08 3itm s ASN 744 Ca 0.00 -2.00 0.34 0.00 0.21 0.00 0.00 52.86 51.41 3itm s ASN 744 Cb 0.00 -2.49 1.65 0.00 -0.55 0.00 0.00 41.25 39.86 3itm s ASN 744 CO 0.00 -1.20 2.03 0.16 -2.79 0.00 0.00 177.10 175.29 3itm h ILE 745 N 6.00 0.00 -0.54 -5.21 3.07 -1.87 -1.94 117.51 117.02 3itm h ILE 745 Ca 0.24 -0.22 0.00 0.00 1.55 0.00 0.00 64.86 66.43 3itm h ILE 745 Cb 0.98 1.09 0.00 0.00 -0.27 0.00 0.00 36.82 38.62 3itm h ILE 745 CO 1.30 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 178.89 3itm n PHE 746 N -2.83 1.95 -0.30 0.16 3.72 -1.26 -4.65 117.46 114.25 3itm n PHE 746 Ca -0.01 -0.75 0.14 0.00 -0.05 0.00 0.00 57.45 56.79 3itm n PHE 746 Cb 0.17 -0.49 0.39 0.00 -0.94 0.00 0.00 39.48 38.61 3itm n PHE 746 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 3itm h ASP 747 N 3.74 0.65 0.69 4.37 3.58 -1.76 -2.65 116.42 125.04 3itm h ASP 747 Ca 0.00 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.51 3itm h ASP 747 Cb 1.92 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 42.91 3itm h ASP 747 CO 0.46 0.27 -0.34 1.41 -2.88 0.00 0.00 179.24 178.16 3itm n HIS 748 N -4.62 0.04 -1.80 0.28 8.25 -1.26 -4.89 115.22 111.22 3itm n HIS 748 Ca 0.20 0.01 -0.37 0.00 -0.26 0.00 0.00 57.72 57.31 3itm n HIS 748 Cb 0.58 -0.36 0.06 0.00 1.12 0.00 0.00 29.99 31.38 3itm n HIS 748 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3itm s PHE 749 N -3.01 2.16 0.83 4.41 0.40 -1.00 -4.98 117.98 116.79 3itm s PHE 749 Ca 0.12 1.48 -0.11 0.00 -0.60 0.00 0.00 56.93 57.81 3itm s PHE 749 Cb 0.18 -3.67 0.10 0.00 0.51 0.00 0.00 43.02 40.13 3itm s PHE 749 CO 0.65 -2.80 1.13 -1.54 0.70 0.00 0.00 175.22 173.36 3itm s SER 750 N -1.38 3.72 0.27 1.36 1.04 -1.26 -4.69 113.70 112.77 3itm s SER 750 Ca 0.80 2.05 -0.01 0.00 0.48 0.00 0.00 55.95 59.28 3itm s SER 750 Cb -0.37 -2.55 0.51 0.00 0.10 0.00 0.00 66.02 63.72 3itm s SER 750 CO 0.39 -2.57 1.81 0.03 0.98 0.00 0.00 173.24 173.88 3itm h ARG 751 N -1.39 0.81 -0.45 4.02 3.08 -1.97 0.18 114.38 118.65 3itm h ARG 751 Ca -0.44 -0.05 -0.11 0.00 0.07 0.00 0.00 59.98 59.45 3itm h ARG 751 Cb 1.25 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 31.11 3itm h ARG 751 CO 0.46 0.54 -0.15 0.87 -1.07 0.00 0.00 179.97 180.62 3itm h LYS 752 N 0.84 0.90 0.00 0.04 1.57 -2.00 -1.79 116.57 116.13 3itm h LYS 752 Ca 0.47 -0.37 -0.13 0.00 -1.87 0.00 0.00 60.65 58.74 3itm h LYS 752 Cb 0.52 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 3itm h LYS 752 CO -0.29 1.02 -0.64 -0.44 -0.57 0.00 0.00 179.45 178.53 3itm h ASP 753 N 0.74 0.00 0.70 0.86 3.32 -1.76 -1.56 116.42 118.72 3itm h ASP 753 Ca 0.11 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.13 3itm h ASP 753 Cb 0.71 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 3itm h ASP 753 CO 0.05 0.64 -0.45 0.22 -1.72 0.00 0.00 179.24 177.98 3itm h TYR 754 N 0.00 -1.20 -0.93 4.55 3.20 -0.45 0.63 116.97 122.78 3itm h TYR 754 Ca -0.01 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.91 3itm h TYR 754 Cb 1.21 0.43 -0.06 0.00 1.54 0.00 0.00 36.73 39.85 3itm h TYR 754 CO 0.00 -0.67 0.60 1.96 -1.64 0.00 0.00 178.16 178.42 3itm h GLN 755 N -1.09 1.05 -0.25 1.82 1.08 -1.30 -0.72 115.11 115.70 3itm h GLN 755 Ca -0.09 -0.06 0.04 0.00 -1.45 0.00 0.00 58.65 57.08 3itm h GLN 755 Cb 0.88 -0.24 -0.04 0.00 -0.05 0.00 0.00 27.48 28.04 3itm h GLN 755 CO 0.08 0.69 0.03 -0.09 -0.95 0.00 0.00 178.83 178.59 3itm h ARG 756 N 1.08 0.11 -0.34 1.46 2.43 -0.99 0.22 114.38 118.36 3itm h ARG 756 Ca 0.39 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.55 3itm h ARG 756 Cb 0.16 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 3itm h ARG 756 CO -0.14 0.07 0.18 1.98 -1.51 0.00 0.00 179.97 180.55 3itm h MET 757 N 0.11 0.47 -0.11 0.20 4.05 0.14 0.19 114.93 119.97 3itm h MET 757 Ca 0.12 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.49 3itm h MET 757 Cb 0.13 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 30.83 3itm h MET 757 CO -0.17 0.39 0.06 -0.07 0.23 0.00 0.00 176.91 177.35 3itm h LEU 758 N 0.42 0.10 -0.85 3.39 4.07 -1.00 -1.03 115.31 120.42 3itm h LEU 758 Ca 0.12 0.00 0.14 0.00 0.08 0.00 0.00 57.88 58.22 3itm h LEU 758 Cb 0.06 -0.02 -0.09 0.00 1.08 0.00 0.00 40.66 41.69 3itm h LEU 758 CO -0.02 0.08 0.44 0.44 -1.08 0.00 0.00 178.44 178.30 3itm h ASP 759 N 0.14 0.55 -0.28 -0.43 5.19 -0.00 -0.28 116.42 121.31 3itm h ASP 759 Ca 0.04 0.08 -0.19 0.00 -0.62 0.00 0.00 57.03 56.35 3itm h ASP 759 Cb -0.00 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 39.50 3itm h ASP 759 CO -0.02 0.25 -0.58 -0.07 -3.12 0.00 0.00 179.24 175.70 3itm h LEU 760 N 0.65 0.98 -0.03 1.55 3.38 -0.43 -2.32 115.31 119.10 3itm h LEU 760 Ca 0.45 -0.54 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 3itm h LEU 760 Cb 0.61 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 3itm h LEU 760 CO -0.34 1.35 0.02 0.24 0.09 0.00 0.00 178.44 179.79 3itm h MET 761 N 0.66 0.04 -0.80 1.13 2.86 -0.43 -0.26 114.93 118.14 3itm h MET 761 Ca 0.01 -0.01 0.10 0.00 -2.06 0.00 0.00 59.70 57.74 3itm h MET 761 Cb 1.19 -0.01 -0.08 0.00 0.06 0.00 0.00 31.60 32.77 3itm h MET 761 CO 0.13 0.11 0.44 -0.09 1.06 0.00 0.00 176.91 178.56 3itm h ARG 762 N -0.04 0.69 -0.18 1.72 2.43 -1.04 -0.50 114.38 117.46 3itm h ARG 762 Ca 0.01 -0.04 -0.19 0.00 -0.81 0.00 0.00 59.98 58.95 3itm h ARG 762 Cb 0.08 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.48 3itm h ARG 762 CO -0.00 0.46 -0.63 -0.44 -1.51 0.00 0.00 179.97 177.84 3itm h ASP 763 N 0.72 0.76 0.14 -3.80 5.19 -1.25 -2.60 116.42 115.58 3itm h ASP 763 Ca 0.40 -0.44 -0.21 0.00 -0.62 0.00 0.00 57.03 56.15 3itm h ASP 763 Cb 0.41 -0.22 0.02 0.00 0.18 0.00 0.00 39.33 39.73 3itm h ASP 763 CO -0.27 1.20 -0.92 0.40 -3.12 0.00 0.00 179.24 176.54 3itm h ILE 764 N 0.49 1.46 -0.27 0.35 2.04 -0.49 -1.96 117.51 119.12 3itm h ILE 764 Ca -0.01 -2.50 0.07 0.00 1.00 0.00 0.00 64.86 63.41 3itm h ILE 764 Cb 1.22 3.08 -0.07 0.00 -0.74 0.00 0.00 36.82 40.31 3itm h ILE 764 CO 0.13 0.72 -0.24 0.40 0.00 0.00 0.00 178.15 179.15 3itm h ILE 765 N -0.22 0.38 -0.90 -0.67 2.04 -1.18 -0.32 117.51 116.64 3itm h ILE 765 Ca -0.15 0.00 0.19 0.00 1.00 0.00 0.00 64.86 65.89 3itm h ILE 765 Cb 1.70 0.38 -0.11 0.00 -0.74 0.00 0.00 36.82 38.05 3itm h ILE 765 CO 0.17 0.00 0.45 0.25 0.00 0.00 0.00 178.15 179.02 3itm h LEU 766 N -0.23 0.49 -2.27 1.44 5.85 -1.48 -0.74 115.31 118.37 3itm h LEU 766 Ca 0.15 0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.98 3itm h LEU 766 Cb 0.46 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.55 3itm h LEU 766 CO -0.41 0.13 -0.02 0.00 -0.34 0.00 0.00 178.44 177.80 3itm h ALA 767 N 1.64 1.06 -0.60 1.25 0.00 -0.25 -3.07 119.26 119.30 3itm h ALA 767 Ca 0.53 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.43 3itm h ALA 767 Cb 0.89 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 3itm h ALA 767 CO -0.44 0.03 0.40 1.15 0.00 0.00 0.00 179.25 180.38 3itm h THR 768 N 0.00 1.16 -1.38 0.00 2.02 -0.74 -3.40 112.91 110.57 3itm h THR 768 Ca -0.00 -0.29 -0.75 0.00 0.77 0.00 0.00 66.41 66.13 3itm h THR 768 Cb 0.24 0.27 0.01 0.00 -1.74 0.00 0.00 68.15 66.93 3itm h THR 768 CO 0.00 0.15 0.94 -0.67 0.37 0.00 0.00 175.52 176.32 3itm n ASP 769 N -4.66 2.18 0.27 4.18 4.64 -1.16 -4.44 116.55 117.56 3itm n ASP 769 Ca 0.04 1.02 0.18 0.00 -1.38 0.00 0.00 54.79 54.66 3itm n ASP 769 Cb 0.02 -1.11 0.92 0.00 -1.04 0.00 0.00 41.12 39.91 3itm n ASP 769 CO 0.00 0.00 0.00 -0.07 -0.82 0.00 0.00 177.20 176.31 3itm h LEU 770 N 7.46 0.00 -0.68 -2.67 4.07 -1.82 0.13 115.31 121.80 3itm h LEU 770 Ca -0.43 0.00 -0.13 0.00 0.08 0.00 0.00 57.88 57.39 3itm h LEU 770 Cb 1.33 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 43.05 3itm h LEU 770 CO 0.98 0.00 -0.64 0.00 -1.08 0.00 0.00 178.44 177.70 3itm h ALA 771 N 1.73 0.90 -0.44 1.53 0.00 -1.89 -0.75 119.26 120.33 3itm h ALA 771 Ca 0.05 -0.58 -0.05 0.00 0.00 0.00 0.00 54.91 54.33 3itm h ALA 771 Cb 0.41 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3itm h ALA 771 CO -0.00 0.80 0.09 1.25 0.00 0.00 0.00 179.25 181.38 3itm h HIS 772 N 0.00 0.76 -0.64 0.00 -0.00 -1.05 -2.49 115.15 111.72 3itm h HIS 772 Ca -0.01 -0.10 0.02 0.00 -0.00 0.00 0.00 60.37 60.28 3itm h HIS 772 Cb 1.16 -0.21 -0.04 0.00 -0.00 0.00 0.00 27.41 28.32 3itm h HIS 772 CO 0.00 0.72 0.41 1.25 -0.00 0.00 0.00 177.93 180.31 3itm h HIS 773 N 0.59 0.77 -0.12 5.26 6.17 -1.20 -2.16 115.15 124.46 3itm h HIS 773 Ca 0.14 0.02 -0.11 0.00 0.71 0.00 0.00 60.37 61.13 3itm h HIS 773 Cb 0.35 -0.26 -0.01 0.00 2.52 0.00 0.00 27.41 30.02 3itm h HIS 773 CO 0.02 0.46 -0.40 -0.07 0.71 0.00 0.00 177.93 178.65 3itm h LEU 774 N 0.82 0.26 -0.75 0.26 3.38 -1.06 -1.22 115.31 117.00 3itm h LEU 774 Ca 0.25 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 58.00 3itm h LEU 774 Cb -0.03 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3itm h LEU 774 CO -0.08 0.64 -0.25 -0.09 0.09 0.00 0.00 178.44 178.75 3itm h ARG 775 N 0.21 0.68 -0.56 1.13 9.65 -1.03 -3.15 114.38 121.32 3itm h ARG 775 Ca 0.02 -0.28 0.00 0.00 -1.10 0.00 0.00 59.98 58.62 3itm h ARG 775 Cb 0.80 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.35 3itm h ARG 775 CO 0.06 0.87 0.00 0.44 2.80 0.00 0.00 179.97 184.14 3itm n ILE 776 N -4.11 0.73 -0.11 1.20 -5.35 -0.85 -4.61 119.36 106.27 3itm n ILE 776 Ca -0.00 -0.81 -0.08 0.00 -0.27 0.00 0.00 62.75 61.59 3itm n ILE 776 Cb 0.44 0.58 -0.00 0.00 -1.74 0.00 0.00 39.64 38.91 3itm n ILE 776 CO 0.00 0.00 0.00 0.15 -1.76 0.00 0.00 176.55 174.94 3itm h PHE 777 N 3.90 0.43 -0.71 4.28 3.57 -1.19 -0.52 116.94 126.69 3itm h PHE 777 Ca 0.00 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.54 3itm h PHE 777 Cb 0.88 -0.14 -0.05 0.00 2.79 0.00 0.00 35.95 39.44 3itm h PHE 777 CO 0.37 0.26 0.44 -0.22 -2.23 0.00 0.00 178.31 176.93 3itm h LYS 778 N 0.46 0.84 -0.50 1.11 3.64 -1.82 0.12 116.57 120.42 3itm h LYS 778 Ca 0.14 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.42 3itm h LYS 778 Cb -0.02 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.58 3itm h LYS 778 CO -0.05 0.55 0.10 -0.44 -2.27 0.00 0.00 179.45 177.34 3itm h ASP 779 N 0.86 0.73 -0.53 4.20 3.32 -1.70 0.28 116.42 123.57 3itm h ASP 779 Ca 0.29 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3itm h ASP 779 Cb 0.03 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.36 3itm h ASP 779 CO -0.11 0.73 0.34 -0.07 -1.72 0.00 0.00 179.24 178.41 3itm h LEU 780 N 0.74 0.63 -0.28 1.55 3.38 0.26 -1.52 115.31 120.07 3itm h LEU 780 Ca 0.16 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.13 3itm h LEU 780 Cb 0.32 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 3itm h LEU 780 CO 0.00 0.48 0.06 1.56 0.09 0.00 0.00 178.44 180.64 3itm h GLN 781 N 0.72 0.16 -0.47 1.13 1.08 -0.20 -1.49 115.11 116.05 3itm h GLN 781 Ca 0.19 -0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.37 3itm h GLN 781 Cb -0.04 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.33 3itm h GLN 781 CO -0.04 0.11 0.23 -0.22 -0.95 0.00 0.00 178.83 177.95 3itm h LYS 782 N 0.17 0.68 -0.72 1.46 3.64 -0.78 -1.36 116.57 119.65 3itm h LYS 782 Ca 0.13 -0.10 0.08 0.00 -1.27 0.00 0.00 60.65 59.49 3itm h LYS 782 Cb 0.13 -0.12 -0.07 0.00 -0.41 0.00 0.00 32.23 31.76 3itm h LYS 782 CO -0.17 0.57 0.38 1.98 -2.27 0.00 0.00 179.45 179.95 3itm h MET 783 N 0.62 0.65 -0.07 1.90 4.05 -0.99 -0.36 114.93 120.72 3itm h MET 783 Ca 0.16 -0.04 -0.11 0.00 -0.28 0.00 0.00 59.70 59.43 3itm h MET 783 Cb 0.12 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 30.76 3itm h MET 783 CO -0.02 0.43 -0.46 0.00 0.23 0.00 0.00 176.91 177.09 3itm h ALA 784 N 1.41 1.11 0.67 0.39 0.00 -0.86 0.07 119.26 122.04 3itm h ALA 784 Ca 0.34 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3itm h ALA 784 Cb 0.31 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.02 3itm h ALA 784 CO -0.24 0.61 -0.32 1.49 0.00 0.00 0.00 179.25 180.79 3itm h GLU 785 N 0.14 -0.87 0.00 0.00 4.57 -0.42 -3.25 114.58 114.74 3itm h GLU 785 Ca 0.01 0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.24 3itm h GLU 785 Cb 0.86 0.20 -0.00 0.00 -0.16 0.00 0.00 28.75 29.65 3itm h GLU 785 CO 0.07 -0.58 -0.02 -0.39 -1.18 0.00 0.00 179.01 176.91 3itm h VAL 786 N -1.16 0.05 -0.00 0.32 -1.51 -1.07 -3.49 116.25 109.39 3itm h VAL 786 Ca -0.09 -0.52 0.00 0.00 -1.23 0.00 0.00 66.70 64.86 3itm h VAL 786 Cb 0.69 1.49 0.00 0.00 -2.13 0.00 0.00 31.29 31.34 3itm h VAL 786 CO 0.15 0.02 0.00 0.61 -1.23 0.00 0.00 177.57 177.12 3itm n GLY 787 N -0.05 1.62 3.62 5.19 0.00 0.01 -5.00 105.19 110.57 3itm n GLY 787 Ca 0.00 -1.36 -0.46 0.00 0.00 0.00 0.00 46.02 44.20 3itm n GLY 787 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3itm n TYR 788 N 2.95 1.67 -3.86 1.61 9.36 -1.25 -4.93 117.16 122.71 3itm n TYR 788 Ca 0.00 0.59 -0.30 0.00 3.32 0.00 0.00 57.90 61.51 3itm n TYR 788 Cb 0.00 -2.34 -0.15 0.00 -0.63 0.00 0.00 39.34 36.22 3itm n TYR 788 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 3itm s ASP 789 N -0.10 4.21 0.53 2.98 -1.08 -1.26 -5.00 116.67 116.95 3itm s ASP 789 Ca 0.66 -1.71 0.27 0.00 -0.52 0.00 0.00 52.55 51.24 3itm s ASP 789 Cb -0.71 -1.16 1.45 0.00 -1.46 0.00 0.00 42.92 41.04 3itm s ASP 789 CO 0.55 -0.37 1.79 -0.09 0.52 0.00 0.00 175.17 177.56 3itm h ARG 790 N 7.92 0.00 -0.02 4.34 2.43 -1.93 0.18 114.38 127.30 3itm h ARG 790 Ca -0.11 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 3itm h ARG 790 Cb 1.03 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 3itm h ARG 790 CO 0.47 0.00 -0.17 0.09 -1.51 0.00 0.00 179.97 178.85 3itm n ASN 791 N -2.61 1.93 -4.60 -3.80 3.02 -1.26 -4.82 115.26 103.13 3itm n ASN 791 Ca -0.02 -1.50 -0.40 0.00 -0.03 0.00 0.00 54.58 52.63 3itm n ASN 791 Cb 0.27 0.14 -0.08 0.00 -0.61 0.00 0.00 39.78 39.50 3itm n ASN 791 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3itm s ASN 792 N -2.23 6.32 0.34 6.41 3.84 0.05 -4.95 114.94 124.72 3itm s ASN 792 Ca 0.28 0.27 0.06 0.00 0.21 0.00 0.00 52.86 53.68 3itm s ASN 792 Cb 0.20 -2.24 0.62 0.00 -0.55 0.00 0.00 41.25 39.28 3itm s ASN 792 CO 0.42 -0.28 1.85 0.11 -2.79 0.00 0.00 177.10 176.41 3itm h LYS 793 N 8.20 0.38 -0.63 0.43 1.57 -1.87 -2.56 116.57 122.08 3itm h LYS 793 Ca -0.30 -0.10 -0.09 0.00 -1.87 0.00 0.00 60.65 58.29 3itm h LYS 793 Cb 1.15 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.39 3itm h LYS 793 CO 0.69 0.52 0.04 1.96 -0.57 0.00 0.00 179.45 182.09 3itm h GLN 794 N 0.35 1.08 -0.69 3.15 1.08 -1.94 -2.16 115.11 115.98 3itm h GLN 794 Ca 0.07 -0.32 0.05 0.00 -1.45 0.00 0.00 58.65 56.99 3itm h GLN 794 Cb 0.45 -0.11 -0.05 0.00 -0.05 0.00 0.00 27.48 27.72 3itm h GLN 794 CO 0.03 1.03 0.41 0.45 -0.95 0.00 0.00 178.83 179.79 3itm h HIS 795 N 0.99 0.76 0.04 2.96 3.86 -1.79 0.48 115.15 122.44 3itm h HIS 795 Ca 0.18 0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.44 3itm h HIS 795 Cb 0.51 -0.24 -0.03 0.00 1.06 0.00 0.00 27.41 28.72 3itm h HIS 795 CO 0.04 0.40 -0.15 0.45 0.86 0.00 0.00 177.93 179.52 3itm h HIS 796 N 0.77 -0.39 -0.27 2.45 3.86 -1.02 0.40 115.15 120.96 3itm h HIS 796 Ca 0.29 0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.53 3itm h HIS 796 Cb 0.11 0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.72 3itm h HIS 796 CO -0.06 -0.22 0.13 0.00 0.86 0.00 0.00 177.93 178.64 3itm h ARG 797 N -0.27 0.27 -0.26 2.45 3.08 -1.03 -0.61 114.38 118.01 3itm h ARG 797 Ca 0.04 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.08 3itm h ARG 797 Cb 0.31 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 3itm h ARG 797 CO -0.12 0.18 0.15 -0.07 -1.07 0.00 0.00 179.97 179.04 3itm h LEU 798 N 0.28 0.25 -0.57 3.04 3.38 -0.67 -2.26 115.31 118.76 3itm h LEU 798 Ca 0.11 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.11 3itm h LEU 798 Cb 0.04 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 3itm h LEU 798 CO -0.08 0.18 0.33 0.25 0.09 0.00 0.00 178.44 179.22 3itm h LEU 799 N 0.31 0.53 -1.05 1.67 5.85 -0.76 -1.34 115.31 120.52 3itm h LEU 799 Ca 0.10 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.86 3itm h LEU 799 Cb -0.00 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 40.87 3itm h LEU 799 CO -0.05 0.37 0.64 -0.07 -0.34 0.00 0.00 178.44 178.99 3itm h LEU 800 N 0.65 1.07 0.70 2.25 3.38 -0.62 0.24 115.31 122.98 3itm h LEU 800 Ca 0.23 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 3itm h LEU 800 Cb 0.05 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.56 3itm h LEU 800 CO -0.11 0.74 -0.36 0.00 0.09 0.00 0.00 178.44 178.80 3itm h LEU 802 N -0.97 0.13 -0.73 0.00 5.85 -0.60 0.03 115.31 119.01 3itm h LEU 802 Ca -0.09 0.12 -0.10 0.00 0.84 0.00 0.00 57.88 58.64 3itm h LEU 802 Cb 0.76 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 3itm h LEU 802 CO 0.14 0.04 -0.13 -0.07 -0.34 0.00 0.00 178.44 178.08 3itm h LEU 803 N 0.34 0.83 -0.21 2.25 3.38 -0.36 0.59 115.31 122.13 3itm h LEU 803 Ca 0.38 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3itm h LEU 803 Cb 0.59 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3itm h LEU 803 CO -0.43 0.98 0.10 -0.03 0.09 0.00 0.00 178.44 179.15 3itm h MET 804 N 0.75 0.31 -0.32 1.13 4.05 0.51 -1.26 114.93 120.10 3itm h MET 804 Ca 0.12 -0.05 -0.05 0.00 -0.28 0.00 0.00 59.70 59.44 3itm h MET 804 Cb 0.64 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.37 3itm h MET 804 CO 0.04 0.33 -0.03 1.79 0.23 0.00 0.00 176.91 179.27 3itm h THR 805 N 0.22 1.20 -0.63 -0.77 1.35 -0.97 -1.38 112.91 111.92 3itm h THR 805 Ca 0.07 -0.82 -0.01 0.00 -0.55 0.00 0.00 66.41 65.10 3itm h THR 805 Cb 0.12 0.99 -0.03 0.00 -1.73 0.00 0.00 68.15 67.50 3itm h THR 805 CO -0.01 0.28 0.36 0.28 -0.25 0.00 0.00 175.52 176.18 3itm h SER 806 N 0.48 0.77 -0.24 5.36 0.02 -0.36 -2.20 113.55 117.38 3itm h SER 806 Ca 0.10 -0.05 -0.12 0.00 -0.84 0.00 0.00 61.79 60.88 3itm h SER 806 Cb 0.36 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.70 3itm h SER 806 CO 0.01 0.61 -0.32 0.00 -1.14 0.00 0.00 176.83 176.00 3itm h ASP 808 N 0.35 0.43 -0.65 0.00 3.58 -0.68 -2.03 116.42 117.42 3itm h ASP 808 Ca 0.03 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.41 3itm h ASP 808 Cb 0.90 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.84 3itm h ASP 808 CO 0.08 0.47 0.00 0.18 -2.88 0.00 0.00 179.24 177.09 3itm n LEU 809 N -4.33 4.94 0.12 2.28 4.77 -0.94 -4.54 117.00 119.29 3itm n LEU 809 Ca 0.01 -2.49 0.11 0.00 -0.03 0.00 0.00 56.01 53.61 3itm n LEU 809 Cb 0.20 -0.60 0.48 0.00 -2.33 0.00 0.00 43.42 41.17 3itm n LEU 809 CO 0.38 0.79 0.84 -1.54 -1.33 0.00 0.00 177.39 176.53 3itm n SER 810 N 1.10 0.61 -0.34 -1.43 3.41 -0.76 -1.11 113.62 115.10 3itm n SER 810 Ca 0.26 0.66 0.31 0.00 -0.26 0.00 0.00 58.87 59.84 3itm n SER 810 Cb 0.94 -0.78 0.65 0.00 -0.26 0.00 0.00 64.21 64.76 3itm n SER 810 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3itm h ASP 811 N 0.00 0.19 0.06 4.04 3.32 -1.81 -1.98 116.42 120.23 3itm h ASP 811 Ca 0.00 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3itm h ASP 811 Cb 0.34 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.90 3itm h ASP 811 CO 0.00 0.02 -0.00 0.00 -1.72 0.00 0.00 179.24 177.54 3itm n GLN 812 N -4.38 0.94 -0.07 3.56 1.13 -0.27 -2.68 117.38 115.61 3itm n GLN 812 Ca 0.27 -0.01 0.10 0.00 -1.94 0.00 0.00 57.00 55.42 3itm n GLN 812 Cb 1.13 -1.50 0.12 0.00 0.11 0.00 0.00 30.24 30.11 3itm n GLN 812 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 3itm n THR 813 N -1.03 0.20 -2.03 5.09 -2.24 -0.75 -4.04 114.28 109.49 3itm n THR 813 Ca 0.23 -0.60 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 3itm n THR 813 Cb 0.13 1.24 0.00 0.00 -2.10 0.00 0.00 70.33 69.59 3itm n THR 813 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3itm n LYS 814 N 1.19 1.43 -0.66 -0.78 4.76 -1.09 -4.83 118.16 118.19 3itm n LYS 814 Ca 0.14 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.27 3itm n LYS 814 Cb 0.52 0.00 0.17 0.00 -1.84 0.00 0.00 35.03 33.89 3itm n LYS 814 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3itm n GLY 815 N 5.00 -0.50 0.20 0.72 0.00 -1.26 -4.86 105.19 104.49 3itm n GLY 815 Ca 0.00 -0.75 -0.02 0.00 0.00 0.00 0.00 46.02 45.25 3itm n GLY 815 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3itm h TRP 816 N -1.95 0.22 -0.07 1.61 2.91 -1.97 -0.66 115.95 116.03 3itm h TRP 816 Ca -0.44 0.03 0.02 0.00 1.13 0.00 0.00 58.89 59.63 3itm h TRP 816 Cb 1.27 -0.02 -0.00 0.00 -0.51 0.00 0.00 29.16 29.90 3itm h TRP 816 CO 0.48 0.03 0.10 1.57 -1.03 0.00 0.00 178.44 179.60 3itm h LYS 817 N 0.28 0.00 -0.05 2.65 2.10 -1.99 -1.91 116.57 117.65 3itm h LYS 817 Ca 0.25 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.88 3itm h LYS 817 Cb 0.32 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.65 3itm h LYS 817 CO -0.30 0.00 -0.06 1.15 -2.00 0.00 0.00 179.45 178.24 3itm h THR 818 N 0.00 1.39 -0.86 0.07 2.02 -1.46 -0.77 112.91 113.30 3itm h THR 818 Ca 0.04 -1.24 0.08 0.00 0.77 0.00 0.00 66.41 66.06 3itm h THR 818 Cb 0.23 2.10 -0.07 0.00 -1.74 0.00 0.00 68.15 68.68 3itm h THR 818 CO -0.00 0.34 0.52 0.74 0.37 0.00 0.00 175.52 177.48 3itm h THR 819 N -0.33 0.97 0.29 3.16 2.02 -1.34 0.98 112.91 118.66 3itm h THR 819 Ca 0.01 -0.31 -0.01 0.00 0.77 0.00 0.00 66.41 66.87 3itm h THR 819 Cb 0.57 -0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.98 3itm h THR 819 CO 0.01 0.16 -0.14 -0.09 0.37 0.00 0.00 175.52 175.84 3itm h ARG 820 N 0.89 -0.38 -0.58 6.66 2.43 -1.23 -0.46 114.38 121.72 3itm h ARG 820 Ca 0.40 0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.64 3itm h ARG 820 Cb 0.29 0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 29.88 3itm h ARG 820 CO -0.22 -0.17 0.31 -0.22 -1.51 0.00 0.00 179.97 178.16 3itm h LYS 821 N -0.51 0.58 -0.49 0.20 1.63 -0.75 -1.34 116.57 115.89 3itm h LYS 821 Ca -0.04 -0.03 -0.06 0.00 -0.85 0.00 0.00 60.65 59.66 3itm h LYS 821 Cb 0.38 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 31.86 3itm h LYS 821 CO 0.07 0.38 0.06 0.82 -3.45 0.00 0.00 179.45 177.33 3itm h ILE 822 N 0.60 1.25 -0.49 2.00 5.03 -0.71 -1.03 117.51 124.16 3itm h ILE 822 Ca 0.26 -0.96 0.09 0.00 -0.12 0.00 0.00 64.86 64.13 3itm h ILE 822 Cb 0.14 0.93 -0.08 0.00 -3.03 0.00 0.00 36.82 34.78 3itm h ILE 822 CO -0.16 0.34 0.00 0.00 -0.68 0.00 0.00 178.15 177.65 3itm h ALA 823 N 0.95 0.46 -0.41 1.87 0.00 -0.62 -1.05 119.26 120.47 3itm h ALA 823 Ca 0.15 0.14 -0.11 0.00 0.00 0.00 0.00 54.91 55.09 3itm h ALA 823 Cb 0.43 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3itm h ALA 823 CO 0.01 -0.39 -0.20 1.05 0.00 0.00 0.00 179.25 179.73 3itm h GLU 824 N 0.12 0.80 -0.82 0.00 4.11 -0.51 -2.57 114.58 115.72 3itm h GLU 824 Ca 0.25 -0.32 0.07 0.00 0.07 0.00 0.00 59.36 59.43 3itm h GLU 824 Cb 0.37 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.52 3itm h GLU 824 CO -0.41 0.94 0.49 -0.07 0.07 0.00 0.00 179.01 180.03 3itm h LEU 825 N 0.70 0.75 -0.37 3.06 3.38 -0.74 0.46 115.31 122.56 3itm h LEU 825 Ca 0.10 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 58.01 3itm h LEU 825 Cb 0.72 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 3itm h LEU 825 CO 0.06 0.47 -0.12 -0.29 0.09 0.00 0.00 178.44 178.64 3itm h ILE 826 N 0.88 1.28 -0.44 1.22 6.09 -0.85 0.57 117.51 126.26 3itm h ILE 826 Ca 0.37 -1.21 0.02 0.00 -1.37 0.00 0.00 64.86 62.66 3itm h ILE 826 Cb 0.22 1.30 -0.03 0.00 0.47 0.00 0.00 36.82 38.78 3itm h ILE 826 CO -0.19 0.40 0.26 1.88 -3.07 0.00 0.00 178.15 177.43 3itm h TYR 827 N 0.53 0.48 -0.37 2.19 -1.99 -1.19 0.62 116.97 117.24 3itm h TYR 827 Ca 0.09 0.02 0.01 0.00 2.00 0.00 0.00 58.73 60.85 3itm h TYR 827 Cb 0.64 -0.15 -0.02 0.00 2.00 0.00 0.00 36.73 39.20 3itm h TYR 827 CO 0.05 0.28 0.25 0.87 -0.00 0.00 0.00 178.16 179.61 3itm h LYS 828 N 0.52 0.44 0.11 4.88 1.57 -0.57 -1.07 116.57 122.45 3itm h LYS 828 Ca 0.17 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 3itm h LYS 828 Cb 0.01 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.22 3itm h LYS 828 CO -0.08 0.29 -0.05 1.49 -0.57 0.00 0.00 179.45 180.53 3itm h GLU 829 N 0.45 -0.15 -0.34 3.15 4.81 0.14 -2.97 114.58 119.68 3itm h GLU 829 Ca 0.14 0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.29 3itm h GLU 829 Cb 0.01 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 3itm h GLU 829 CO -0.03 0.25 -0.18 0.35 -0.73 0.00 0.00 179.01 178.66 3itm h PHE 830 N -0.58 0.68 0.00 0.92 3.04 -0.42 -2.24 116.94 118.34 3itm h PHE 830 Ca -0.02 -0.13 0.00 0.00 3.98 0.00 0.00 57.97 61.80 3itm h PHE 830 Cb 0.46 -0.17 0.00 0.00 2.56 0.00 0.00 35.95 38.80 3itm h PHE 830 CO 0.06 0.76 0.00 1.19 -2.02 0.00 0.00 178.31 178.30 3itm n PHE 831 N -4.15 0.00 -1.55 0.41 3.01 -0.45 -4.62 117.46 110.11 3itm n PHE 831 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.06 3itm n PHE 831 Cb 0.38 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.84 3itm n PHE 831 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3itm n SER 832 N -0.82 5.88 0.01 4.37 3.41 -0.84 -5.04 113.62 120.59 3itm n SER 832 Ca 0.15 -2.73 0.00 0.00 -0.26 0.00 0.00 58.87 56.03 3itm n SER 832 Cb 0.07 -1.62 0.00 0.00 -0.26 0.00 0.00 64.21 62.40 3itm n SER 832 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 3itm n GLN 833 N 5.07 0.00 0.00 4.33 -0.06 -1.26 -5.09 117.38 120.36 3itm n GLN 833 Ca 0.63 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.63 3itm n GLN 833 Cb 0.32 -0.02 0.00 0.00 -4.06 0.00 0.00 30.24 26.48 3itm n GLN 833 CO 0.00 0.00 0.00 -1.91 -0.20 0.00 0.00 177.06 174.95 3itm n GLU 837 N -2.60 0.00 -1.67 3.69 2.13 -1.26 -5.30 120.64 115.64 3itm n GLU 837 Ca 0.00 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.39 3itm n GLU 837 Cb 0.00 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.68 3itm n GLU 837 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 3itm n LYS 838 N 0.00 2.76 -1.25 5.31 4.81 -1.26 -4.94 118.16 123.60 3itm n LYS 838 Ca 0.00 1.01 -0.35 0.00 -0.87 0.00 0.00 58.31 58.11 3itm n LYS 838 Cb 0.00 -2.94 0.11 0.00 0.02 0.00 0.00 35.03 32.22 3itm n LYS 838 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3itm n ALA 839 N 7.08 0.02 -1.79 3.14 0.00 -1.26 -4.95 120.51 122.75 3itm n ALA 839 Ca 0.20 -0.25 -0.35 0.00 0.00 0.00 0.00 53.44 53.03 3itm n ALA 839 Cb 0.39 -2.21 -0.05 0.00 0.00 0.00 0.00 19.45 17.57 3itm n ALA 839 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 3itm s MET 840 N -3.79 4.13 0.00 0.00 1.75 -1.26 -2.37 119.30 117.76 3itm s MET 840 Ca 0.74 1.38 0.00 0.00 -1.25 0.00 0.00 55.69 56.56 3itm s MET 840 Cb -0.32 -2.39 0.00 0.00 2.84 0.00 0.00 34.83 34.97 3itm s MET 840 CO 0.50 -0.15 0.00 0.41 -0.65 0.00 0.00 175.02 175.13 3itm n GLY 841 N 0.03 2.81 3.40 2.11 0.00 -1.26 -2.60 105.19 109.68 3itm n GLY 841 Ca 0.06 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.88 3itm n GLY 841 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3itm n ASN 842 N 0.47 -6.26 -3.44 1.61 5.15 -1.00 -5.00 115.26 106.79 3itm n ASN 842 Ca 0.00 -0.76 -0.28 0.00 -0.60 0.00 0.00 54.58 52.93 3itm n ASN 842 Cb 0.00 -4.48 -0.11 0.00 -0.53 0.00 0.00 39.78 34.66 3itm n ASN 842 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3itm s ARG 843 N -4.84 0.61 0.19 1.20 0.52 -1.07 -4.96 118.95 110.61 3itm s ARG 843 Ca 0.41 -1.46 -0.11 0.00 -0.52 0.00 0.00 55.73 54.06 3itm s ARG 843 Cb -0.09 -1.29 0.12 0.00 0.52 0.00 0.00 34.95 34.21 3itm s ARG 843 CO 0.79 -1.24 1.80 -1.00 0.02 0.00 0.00 175.30 175.67 3itm h PRO 844 N 6.75 0.97 -0.59 3.54 0.13 -1.91 -2.59 132.00 138.29 3itm h PRO 844 Ca 0.10 -0.12 0.09 0.00 -0.87 0.00 0.00 66.00 65.20 3itm h PRO 844 Cb 0.96 -0.19 -0.11 0.00 0.13 0.00 0.00 31.00 31.80 3itm h PRO 844 CO 0.28 0.74 -0.43 0.52 -0.23 0.00 0.00 178.00 178.88 3itm h MET 845 N 0.95 -0.21 -0.84 0.86 2.86 -1.99 -1.86 114.93 114.70 3itm h MET 845 Ca 0.24 0.01 0.13 0.00 -2.06 0.00 0.00 59.70 58.03 3itm h MET 845 Cb 0.06 0.05 -0.09 0.00 0.06 0.00 0.00 31.60 31.68 3itm h MET 845 CO -0.04 -0.14 0.45 0.93 1.06 0.00 0.00 176.91 179.17 3itm h GLU 846 N -0.22 0.65 -0.00 1.72 3.07 -1.88 -2.95 114.58 114.96 3itm h GLU 846 Ca 0.18 -0.04 -0.18 0.00 -0.50 0.00 0.00 59.36 58.83 3itm h GLU 846 Cb 0.56 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.31 3itm h GLU 846 CO -0.70 0.43 -0.80 0.52 -1.40 0.00 0.00 179.01 177.06 3itm h MET 847 N 0.67 0.11 -0.44 2.33 2.86 -1.39 -2.45 114.93 116.61 3itm h MET 847 Ca 0.45 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.98 3itm h MET 847 Cb 0.58 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.25 3itm h MET 847 CO -0.33 0.85 0.28 1.98 1.06 0.00 0.00 176.91 180.75 3itm h MET 848 N 0.06 0.59 -0.06 1.72 -1.53 -1.21 -1.65 114.93 112.86 3itm h MET 848 Ca -0.02 -0.04 -0.10 0.00 -3.44 0.00 0.00 59.70 56.09 3itm h MET 848 Cb 1.40 -0.13 -0.01 0.00 -0.55 0.00 0.00 31.60 32.31 3itm h MET 848 CO 0.11 0.42 -0.41 -0.44 0.14 0.00 0.00 176.91 176.73 3itm h ASP 849 N 0.59 0.14 1.09 1.39 3.32 -1.32 0.14 116.42 121.76 3itm h ASP 849 Ca 0.16 -0.06 -0.11 0.00 0.02 0.00 0.00 57.03 57.04 3itm h ASP 849 Cb -0.04 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 3itm h ASP 849 CO -0.03 0.54 -0.54 0.03 -1.72 0.00 0.00 179.24 177.51 3itm h ARG 850 N 0.11 0.00 -0.01 3.56 3.08 -1.04 -2.83 114.38 117.26 3itm h ARG 850 Ca 0.01 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.83 3itm h ARG 850 Cb 0.78 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.84 3itm h ARG 850 CO 0.06 0.54 -0.95 1.49 -1.07 0.00 0.00 179.97 180.05 3itm h GLU 851 N 0.00 0.48 0.00 0.04 4.57 -1.15 -3.25 114.58 115.27 3itm h GLU 851 Ca -0.01 -0.50 -0.02 0.00 -1.18 0.00 0.00 59.36 57.65 3itm h GLU 851 Cb 1.24 0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 29.96 3itm h GLU 851 CO 0.07 1.15 -0.11 0.87 -1.18 0.00 0.00 179.01 179.81 3itm h LYS 852 N 0.27 0.00 -0.03 1.92 1.57 -0.64 -2.57 116.57 117.10 3itm h LYS 852 Ca -0.09 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.65 3itm h LYS 852 Cb 1.58 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.88 3itm h LYS 852 CO 0.17 0.11 -0.19 0.00 -0.57 0.00 0.00 179.45 178.97 3itm h ALA 853 N 1.89 1.64 0.00 3.86 0.00 -1.53 -1.74 119.26 123.38 3itm h ALA 853 Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3itm h ALA 853 Cb 0.93 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3itm h ALA 853 CO 0.01 0.27 0.00 0.66 0.00 0.00 0.00 179.25 180.20 3itm n TYR 854 N -4.29 0.00 -0.11 0.00 4.02 -0.97 -4.27 117.16 111.53 3itm n TYR 854 Ca -0.02 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.80 3itm n TYR 854 Cb 0.26 -0.39 -0.01 0.00 -0.02 0.00 0.00 39.34 39.19 3itm n TYR 854 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 176.86 176.67 3itm h ILE 855 N 0.00 0.26 -0.38 -0.72 2.04 -1.46 -2.21 117.51 115.05 3itm h ILE 855 Ca 0.00 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.94 3itm h ILE 855 Cb 0.33 0.26 -0.08 0.00 -0.74 0.00 0.00 36.82 36.59 3itm h ILE 855 CO 0.00 0.00 -0.16 -0.65 0.00 0.00 0.00 178.15 177.34 3itm h PRO 856 N -0.24 -0.09 -0.65 2.37 0.11 -1.80 0.22 132.00 131.93 3itm h PRO 856 Ca 0.18 0.01 0.06 0.00 0.11 0.00 0.00 66.00 66.35 3itm h PRO 856 Cb 0.52 0.02 -0.06 0.00 0.11 0.00 0.00 31.00 31.59 3itm h PRO 856 CO -0.52 -0.06 0.35 0.93 -0.21 0.00 0.00 178.00 178.49 3itm h GLU 857 N -0.09 0.62 -0.32 1.05 4.39 -1.77 0.50 114.58 118.96 3itm h GLU 857 Ca 0.19 -0.04 -0.14 0.00 0.34 0.00 0.00 59.36 59.71 3itm h GLU 857 Cb 0.38 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 3itm h GLU 857 CO -0.44 0.41 -0.35 -0.07 -1.16 0.00 0.00 179.01 177.40 3itm h LEU 858 N 0.64 0.77 -0.57 1.33 3.38 -0.80 -1.46 115.31 118.60 3itm h LEU 858 Ca 0.29 -0.33 -0.14 0.00 0.09 0.00 0.00 57.88 57.79 3itm h LEU 858 Cb 0.20 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3itm h LEU 858 CO -0.19 1.05 -0.42 -0.61 0.09 0.00 0.00 178.44 178.36 3itm h GLN 859 N 0.61 0.66 0.21 1.13 5.75 0.03 -1.34 115.11 122.17 3itm h GLN 859 Ca 0.06 -0.35 -0.01 0.00 -0.15 0.00 0.00 58.65 58.20 3itm h GLN 859 Cb 0.89 0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.45 3itm h GLN 859 CO 0.08 0.96 -0.10 0.82 -2.65 0.00 0.00 178.83 177.94 3itm h ILE 860 N 0.54 0.86 -0.74 2.39 2.04 -0.71 0.53 117.51 122.42 3itm h ILE 860 Ca 0.04 -0.46 0.17 0.00 1.00 0.00 0.00 64.86 65.61 3itm h ILE 860 Cb 0.95 1.13 -0.04 0.00 -0.74 0.00 0.00 36.82 38.12 3itm h ILE 860 CO 0.09 0.10 0.50 -1.28 0.00 0.00 0.00 178.15 177.56 3itm h SER 861 N -0.51 0.27 -0.17 1.72 0.87 -1.25 0.13 113.55 114.60 3itm h SER 861 Ca -0.03 0.02 -0.18 0.00 -1.23 0.00 0.00 61.79 60.37 3itm h SER 861 Cb 0.39 -0.03 0.01 0.00 -0.44 0.00 0.00 62.40 62.32 3itm h SER 861 CO 0.05 0.13 -0.60 0.15 -0.53 0.00 0.00 176.83 176.03 3itm h PHE 862 N 0.28 0.94 -0.15 2.24 3.57 -0.61 -2.46 116.94 120.75 3itm h PHE 862 Ca 0.36 -0.38 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 3itm h PHE 862 Cb 1.01 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.59 3itm h PHE 862 CO -0.00 1.19 0.05 0.52 -2.23 0.00 0.00 178.31 177.84 3itm h MET 863 N 0.41 0.23 -0.19 1.11 0.00 0.12 -2.37 114.93 114.24 3itm h MET 863 Ca -0.03 -0.05 -0.15 0.00 0.00 0.00 0.00 59.70 59.48 3itm h MET 863 Cb 1.22 -0.03 -0.01 0.00 0.00 0.00 0.00 31.60 32.78 3itm h MET 863 CO 0.13 0.35 -0.50 0.93 0.00 0.00 0.00 176.91 177.81 3itm h GLU 864 N 0.07 0.52 0.00 1.72 5.08 -0.81 -0.67 114.58 120.49 3itm h GLU 864 Ca 0.05 -0.31 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 3itm h GLU 864 Cb 0.21 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3itm h GLU 864 CO -0.00 0.90 -1.14 0.72 -1.00 0.00 0.00 179.01 178.49 3itm n HIS 865 N -3.98 0.00 0.11 4.33 8.25 -0.93 -4.50 115.22 118.51 3itm n HIS 865 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 3itm n HIS 865 Cb 0.57 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.58 3itm n HIS 865 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 3itm n ILE 866 N -1.62 0.47 0.02 1.59 2.08 -1.01 -4.86 119.36 116.04 3itm n ILE 866 Ca 0.02 0.16 -0.12 0.00 0.56 0.00 0.00 62.75 63.37 3itm n ILE 866 Cb 0.35 -0.91 -0.09 0.00 -0.75 0.00 0.00 39.64 38.24 3itm n ILE 866 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3itm h ALA 867 N 0.00 -0.13 -0.25 -1.39 0.00 -1.43 -3.10 119.26 112.96 3itm h ALA 867 Ca 0.00 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 3itm h ALA 867 Cb 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3itm h ALA 867 CO 0.00 -0.27 0.16 0.52 0.00 0.00 0.00 179.25 179.65 3itm h MET 868 N -0.74 0.34 -0.96 0.00 2.86 -1.37 -0.32 114.93 114.74 3itm h MET 868 Ca -0.01 -0.03 0.19 0.00 -2.06 0.00 0.00 59.70 57.79 3itm h MET 868 Cb 0.56 -0.07 -0.11 0.00 0.06 0.00 0.00 31.60 32.04 3itm h MET 868 CO 0.02 0.27 0.56 -1.35 1.06 0.00 0.00 176.91 177.46 3itm h PRO 869 N 0.32 0.67 -0.43 -0.22 0.11 -1.78 0.53 132.00 131.21 3itm h PRO 869 Ca 0.09 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 66.20 3itm h PRO 869 Cb 0.01 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 30.93 3itm h PRO 869 CO -0.02 0.44 0.20 0.82 -0.21 0.00 0.00 178.00 179.23 3itm h ILE 870 N 0.69 0.95 0.00 4.15 2.04 -0.99 -0.70 117.51 123.64 3itm h ILE 870 Ca 0.56 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 66.27 3itm h ILE 870 Cb 0.89 0.51 -0.00 0.00 -0.74 0.00 0.00 36.82 37.48 3itm h ILE 870 CO -0.40 0.07 -0.20 1.88 0.00 0.00 0.00 178.15 179.51 3itm h TYR 871 N 0.40 0.00 -0.42 1.37 -1.99 -0.74 -1.87 116.97 113.71 3itm h TYR 871 Ca 0.19 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.78 3itm h TYR 871 Cb 0.11 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.83 3itm h TYR 871 CO -0.11 0.07 -0.29 -0.22 -0.00 0.00 0.00 178.16 177.60 3itm h LYS 872 N 0.00 0.92 -0.13 4.88 3.64 -0.60 -2.13 116.57 123.16 3itm h LYS 872 Ca -0.00 -0.43 0.03 0.00 -1.27 0.00 0.00 60.65 58.98 3itm h LYS 872 Cb 1.05 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.83 3itm h LYS 872 CO 0.01 1.09 -0.08 -0.07 -2.27 0.00 0.00 179.45 178.12 3itm h LEU 873 N 0.78 -0.27 -0.51 5.20 3.38 -0.77 0.50 115.31 123.61 3itm h LEU 873 Ca 0.09 0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.20 3itm h LEU 873 Cb 0.87 0.14 -0.07 0.00 0.09 0.00 0.00 40.66 41.69 3itm h LEU 873 CO 0.08 -0.12 0.14 -0.07 0.09 0.00 0.00 178.44 178.56 3itm h LEU 874 N -0.09 0.08 -1.29 1.67 3.38 -1.32 -0.86 115.31 116.87 3itm h LEU 874 Ca 0.08 0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 3itm h LEU 874 Cb 0.20 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3itm h LEU 874 CO -0.18 0.07 0.05 -0.61 0.09 0.00 0.00 178.44 177.85 3itm h GLN 875 N 0.29 0.53 -0.30 1.13 4.15 -0.78 0.65 115.11 120.77 3itm h GLN 875 Ca 0.26 -0.10 -0.09 0.00 0.77 0.00 0.00 58.65 59.49 3itm h GLN 875 Cb 0.33 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.91 3itm h GLN 875 CO -0.30 0.52 -0.18 -0.44 -1.93 0.00 0.00 178.83 176.49 3itm h ASP 876 N 0.51 0.54 0.15 -0.69 5.19 0.48 -3.18 116.42 119.42 3itm h ASP 876 Ca 0.12 -0.17 -0.30 0.00 -0.62 0.00 0.00 57.03 56.06 3itm h ASP 876 Cb 0.26 -0.15 0.01 0.00 0.18 0.00 0.00 39.33 39.63 3itm h ASP 876 CO 0.00 0.74 -1.49 -0.07 -3.12 0.00 0.00 179.24 175.30 3itm h LEU 877 N 0.49 0.51 -7.60 1.55 3.38 -0.89 -3.44 115.31 109.32 3itm h LEU 877 Ca 0.08 -0.90 -0.65 0.00 0.09 0.00 0.00 57.88 56.50 3itm h LEU 877 Cb 0.60 -0.17 -0.40 0.00 0.09 0.00 0.00 40.66 40.78 3itm h LEU 877 CO 0.04 1.67 -0.72 -0.36 0.09 0.00 0.00 178.44 179.16 3itm s PHE 878 N -2.52 3.45 0.35 1.13 0.08 0.22 -4.97 117.98 115.72 3itm s PHE 878 Ca -0.17 -2.83 0.13 0.00 0.12 0.00 0.00 56.93 54.18 3itm s PHE 878 Cb 0.04 -2.75 0.98 0.00 -0.57 0.00 0.00 43.02 40.73 3itm s PHE 878 CO 0.82 -0.93 1.74 -1.35 -0.10 0.00 0.00 175.22 175.40 3itm h PRO 879 N 7.64 0.49 0.00 0.24 0.11 -1.80 0.54 132.00 139.22 3itm h PRO 879 Ca -0.05 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.03 3itm h PRO 879 Cb 1.01 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.02 3itm h PRO 879 CO 0.52 0.32 0.00 1.63 -0.21 0.00 0.00 178.00 180.26 3itm n LYS 880 N -4.78 0.03 -0.02 1.05 5.02 -1.26 -1.21 118.16 117.00 3itm n LYS 880 Ca 0.26 0.33 0.12 0.00 -2.02 0.00 0.00 58.31 57.00 3itm n LYS 880 Cb 0.81 -1.50 0.61 0.00 -0.02 0.00 0.00 35.03 34.93 3itm n LYS 880 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3itm n ALA 881 N -1.41 2.61 -0.20 7.82 0.00 0.18 -4.39 120.51 125.12 3itm n ALA 881 Ca 0.02 -0.27 -0.02 0.00 0.00 0.00 0.00 53.44 53.17 3itm n ALA 881 Cb 0.06 -1.29 0.09 0.00 0.00 0.00 0.00 19.45 18.30 3itm n ALA 881 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3itm h ALA 882 N 3.88 0.78 -0.19 0.00 0.00 -1.32 -1.81 119.26 120.61 3itm h ALA 882 Ca 0.00 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.00 3itm h ALA 882 Cb 0.17 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3itm h ALA 882 CO 0.00 -0.08 0.14 1.05 0.00 0.00 0.00 179.25 180.37 3itm h GLU 883 N 0.53 0.00 -0.21 0.00 4.11 -1.84 -1.35 114.58 115.82 3itm h GLU 883 Ca 0.28 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.61 3itm h GLU 883 Cb 0.23 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 3itm h GLU 883 CO -0.21 0.00 -0.26 -0.07 0.07 0.00 0.00 179.01 178.54 3itm h LEU 884 N 0.00 0.58 -0.07 3.06 3.38 -1.64 -1.00 115.31 119.62 3itm h LEU 884 Ca 0.09 -0.50 -0.01 0.00 0.09 0.00 0.00 57.88 57.55 3itm h LEU 884 Cb 0.37 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 3itm h LEU 884 CO -0.00 0.97 0.02 0.22 0.09 0.00 0.00 178.44 179.74 3itm h TYR 885 N 0.21 0.11 -0.03 1.13 3.20 -1.20 -1.60 116.97 118.79 3itm h TYR 885 Ca 0.03 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.89 3itm h TYR 885 Cb 0.83 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 39.06 3itm h TYR 885 CO 0.08 0.28 0.02 0.93 -1.64 0.00 0.00 178.16 177.84 3itm h GLU 886 N -0.09 0.00 -0.13 1.82 5.08 -1.33 0.52 114.58 120.44 3itm h GLU 886 Ca 0.02 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.31 3itm h GLU 886 Cb 0.22 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 3itm h GLU 886 CO -0.00 0.00 -0.21 -0.09 -1.00 0.00 0.00 179.01 177.71 3itm h ARG 887 N 0.00 0.38 -0.27 2.33 9.65 -0.72 -1.49 114.38 124.25 3itm h ARG 887 Ca 0.02 -0.23 -0.03 0.00 -1.10 0.00 0.00 59.98 58.64 3itm h ARG 887 Cb 0.07 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.65 3itm h ARG 887 CO -0.00 0.81 0.05 0.28 2.80 0.00 0.00 179.97 183.91 3itm h VAL 888 N -0.02 1.14 -0.51 0.20 2.07 -0.64 -0.41 116.25 118.08 3itm h VAL 888 Ca 0.01 -0.51 -0.12 0.00 0.82 0.00 0.00 66.70 66.90 3itm h VAL 888 Cb 0.78 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 3itm h VAL 888 CO 0.05 0.18 -0.15 0.00 0.02 0.00 0.00 177.57 177.67 3itm h ALA 889 N 1.67 0.71 -0.46 1.67 0.00 -0.77 -1.22 119.26 120.87 3itm h ALA 889 Ca 0.09 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 54.51 3itm h ALA 889 Cb 0.18 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3itm h ALA 889 CO -0.00 0.65 -0.20 1.03 0.00 0.00 0.00 179.25 180.73 3itm h SER 890 N 0.87 0.97 -0.71 0.00 0.87 -0.73 -1.08 113.55 113.73 3itm h SER 890 Ca 0.13 -0.39 -0.03 0.00 -1.23 0.00 0.00 61.79 60.27 3itm h SER 890 Cb 0.72 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 62.38 3itm h SER 890 CO 0.06 1.15 0.34 0.78 -0.53 0.00 0.00 176.83 178.62 3itm h ASN 891 N 0.78 0.93 0.78 6.23 2.35 -0.96 -1.84 115.58 123.86 3itm h ASN 891 Ca 0.10 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 3itm h ASN 891 Cb 0.77 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.90 3itm h ASN 891 CO 0.06 0.80 0.00 0.08 -1.65 0.00 0.00 177.43 176.72 3itm h ARG 892 N 0.99 0.00 -0.17 0.81 0.11 -0.74 -1.27 114.38 114.11 3itm h ARG 892 Ca 0.24 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.29 3itm h ARG 892 Cb 0.12 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.19 3itm h ARG 892 CO -0.03 0.00 -0.04 0.93 0.10 0.00 0.00 179.97 180.93 3itm h GLU 893 N 0.00 0.33 -0.63 0.08 4.39 -0.48 -2.62 114.58 115.66 3itm h GLU 893 Ca 0.00 -0.12 -0.06 0.00 0.34 0.00 0.00 59.36 59.51 3itm h GLU 893 Cb 0.39 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.99 3itm h GLU 893 CO 0.00 0.59 0.13 0.45 -1.16 0.00 0.00 179.01 179.03 3itm h HIS 894 N 0.05 1.04 -0.84 4.33 3.86 -0.50 -1.93 115.15 121.17 3itm h HIS 894 Ca 0.05 -0.12 -0.01 0.00 -1.16 0.00 0.00 60.37 59.13 3itm h HIS 894 Cb 0.47 -0.30 -0.04 0.00 1.06 0.00 0.00 27.41 28.60 3itm h HIS 894 CO 0.05 0.87 0.48 -1.49 0.86 0.00 0.00 177.93 178.70 3itm h TRP 895 N 0.95 1.12 -0.38 2.45 4.06 -1.33 -2.66 115.95 120.16 3itm h TRP 895 Ca 0.20 -0.01 -0.04 0.00 2.06 0.00 0.00 58.89 61.09 3itm h TRP 895 Cb 0.36 -0.36 -0.02 0.00 -1.00 0.00 0.00 29.16 28.14 3itm h TRP 895 CO 0.02 0.76 0.06 1.79 -3.56 0.00 0.00 178.44 177.52 3itm h THR 896 N 1.15 1.19 0.00 1.49 1.35 -0.97 0.59 112.91 117.71 3itm h THR 896 Ca 0.30 -0.71 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 3itm h THR 896 Cb -0.01 0.84 0.00 0.00 -1.73 0.00 0.00 68.15 67.24 3itm h THR 896 CO -0.05 0.25 0.01 1.17 -0.25 0.00 0.00 175.52 176.64 3itm n LYS 897 N -4.31 0.00 -3.84 4.72 4.81 -0.84 -4.31 118.16 114.39 3itm n LYS 897 Ca 0.02 0.37 -0.36 0.00 -0.87 0.00 0.00 58.31 57.47 3itm n LYS 897 Cb 0.21 -1.51 -0.13 0.00 0.02 0.00 0.00 35.03 33.62 3itm n LYS 897 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3itm s VAL 898 N -2.73 3.68 0.00 3.15 1.01 0.20 -5.10 120.40 120.61 3itm s VAL 898 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.46 3itm s VAL 898 Cb 0.00 -2.76 0.00 0.00 0.00 0.00 0.00 36.38 33.62 3itm s VAL 898 CO 0.00 0.30 0.00 -1.54 0.00 0.00 0.00 175.10 173.86