#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rei s TYR 608 N 0.00 2.76 -0.24 -1.42 5.04 0.23 -5.01 117.35 118.71 2rei s TYR 608 Ca 0.00 0.39 -0.05 0.00 -2.44 0.00 0.00 57.07 54.96 2rei s TYR 608 Cb 0.00 -4.03 -0.02 0.00 0.35 0.00 0.00 41.96 38.26 2rei s TYR 608 CO 0.00 -3.98 0.01 0.42 -1.34 0.00 0.00 175.55 170.66 2rei s ILE 609 N 1.67 3.80 -0.20 3.14 1.01 -1.26 -4.96 121.20 124.40 2rei s ILE 609 Ca 0.74 -0.37 -0.29 0.00 0.00 0.00 0.00 60.65 60.73 2rei s ILE 609 Cb -0.45 -2.76 -0.03 0.00 0.01 0.00 0.00 42.46 39.23 2rei s ILE 609 CO 0.32 0.37 1.64 -0.62 0.00 0.00 0.00 174.94 176.66 2rei s ASP 610 N 1.54 6.39 0.39 3.58 3.68 -1.26 -4.88 116.67 126.10 2rei s ASP 610 Ca 0.06 1.72 0.28 0.00 2.13 0.00 0.00 52.55 56.74 2rei s ASP 610 Cb -0.15 -2.53 1.32 0.00 -1.45 0.00 0.00 42.92 40.11 2rei s ASP 610 CO -0.00 -1.24 1.84 1.55 0.13 0.00 0.00 175.17 177.45 2rei h PRO 611 N 10.71 0.00 -0.02 4.34 0.13 -1.94 -1.29 132.00 143.92 2rei h PRO 611 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2rei h PRO 611 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2rei h PRO 611 CO 0.99 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 179.15 2rei n GLU 612 N -2.51 1.09 0.10 0.86 1.02 -1.26 -2.33 120.64 117.61 2rei n GLU 612 Ca -0.00 -0.14 0.12 0.00 -0.02 0.00 0.00 57.16 57.12 2rei n GLU 612 Cb 0.16 -1.26 0.12 0.00 -0.02 0.00 0.00 31.44 30.44 2rei n GLU 612 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 2rei h THR 613 N 0.27 0.00 -3.52 2.62 1.35 -1.63 -3.46 112.91 108.54 2rei h THR 613 Ca 0.00 -0.73 -0.52 0.00 -0.55 0.00 0.00 66.41 64.61 2rei h THR 613 Cb 0.06 1.35 0.02 0.00 -1.73 0.00 0.00 68.15 67.85 2rei h THR 613 CO 0.00 0.00 0.57 -0.31 -0.25 0.00 0.00 175.52 175.53 2rei s TYR 614 N -3.24 3.39 0.22 4.73 2.02 -0.98 -4.95 117.35 118.53 2rei s TYR 614 Ca 0.04 1.42 -0.09 0.00 -0.37 0.00 0.00 57.07 58.07 2rei s TYR 614 Cb 0.11 -3.46 0.18 0.00 -0.40 0.00 0.00 41.96 38.39 2rei s TYR 614 CO 0.73 -1.30 1.88 1.05 -1.57 0.00 0.00 175.55 176.35 2rei h GLU 615 N 5.01 1.09 -4.63 -0.62 4.11 -1.89 -3.35 114.58 114.29 2rei h GLU 615 Ca -0.45 -0.08 -0.69 0.00 0.07 0.00 0.00 59.36 58.21 2rei h GLU 615 Cb 1.21 -0.24 -0.33 0.00 0.50 0.00 0.00 28.75 29.90 2rei h GLU 615 CO 0.74 0.74 -0.62 0.16 0.07 0.00 0.00 179.01 180.10 2rei s ASP 616 N -5.99 5.12 0.43 3.06 1.47 -1.26 -4.99 116.67 114.52 2rei s ASP 616 Ca -0.13 -1.58 0.20 0.00 1.18 0.00 0.00 52.55 52.22 2rei s ASP 616 Cb 0.16 -1.79 0.99 0.00 -0.34 0.00 0.00 42.92 41.94 2rei s ASP 616 CO 0.79 -0.39 1.90 1.55 0.68 0.00 0.00 175.17 179.70 2rei h PRO 617 N 8.06 0.00 -0.57 2.11 0.13 -1.81 -2.11 132.00 137.80 2rei h PRO 617 Ca -0.18 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 65.04 2rei h PRO 617 Cb 1.06 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.15 2rei h PRO 617 CO 0.62 0.26 0.39 -0.91 -0.23 0.00 0.00 178.00 178.13 2rei h ASN 618 N 0.00 0.35 0.38 1.44 2.35 -1.94 -1.95 115.58 116.22 2rei h ASN 618 Ca -0.00 0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.70 2rei h ASN 618 Cb 0.59 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.88 2rei h ASN 618 CO 0.03 0.22 -0.27 0.03 -1.65 0.00 0.00 177.43 175.79 2rei h ARG 619 N 0.40 0.00 0.01 0.81 -0.00 -1.80 -2.75 114.38 111.05 2rei h ARG 619 Ca 0.26 0.00 -0.21 0.00 -0.50 0.00 0.00 59.98 59.54 2rei h ARG 619 Cb 0.51 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.48 2rei h ARG 619 CO -0.07 0.27 -0.91 0.00 0.00 0.00 0.00 179.97 179.27 2rei h ALA 620 N 1.73 0.47 -0.35 0.04 0.00 -1.46 -2.45 119.26 117.23 2rei h ALA 620 Ca -0.00 -0.73 0.02 0.00 0.00 0.00 0.00 54.91 54.20 2rei h ALA 620 Cb 0.54 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2rei h ALA 620 CO 0.04 0.90 0.18 0.28 0.00 0.00 0.00 179.25 180.65 2rei h VAL 621 N 0.13 1.00 0.00 0.00 2.07 -1.37 -1.43 116.25 116.64 2rei h VAL 621 Ca -0.05 -0.13 -0.06 0.00 0.82 0.00 0.00 66.70 67.28 2rei h VAL 621 Cb 1.54 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 2rei h VAL 621 CO 0.14 0.07 -0.27 0.45 0.02 0.00 0.00 177.57 177.98 2rei h HIS 622 N 0.38 0.00 -0.11 1.57 3.86 -1.44 -0.36 115.15 119.04 2rei h HIS 622 Ca 0.15 0.00 -0.21 0.00 -1.16 0.00 0.00 60.37 59.15 2rei h HIS 622 Cb 0.05 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.52 2rei h HIS 622 CO -0.09 0.27 -0.78 0.37 0.86 0.00 0.00 177.93 178.56 2rei h GLN 623 N 0.00 0.63 0.00 2.45 -0.00 -0.94 -3.38 115.11 113.87 2rei h GLN 623 Ca -0.00 -0.53 0.00 0.00 -0.00 0.00 0.00 58.65 58.12 2rei h GLN 623 Cb 0.79 0.11 0.00 0.00 0.00 0.00 0.00 27.48 28.38 2rei h GLN 623 CO 0.04 1.14 -0.47 1.19 0.00 0.00 0.00 178.83 180.73 2rei n PHE 624 N -3.89 0.00 -4.42 3.99 3.72 -0.59 -4.96 117.46 111.31 2rei n PHE 624 Ca -0.06 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.07 2rei n PHE 624 Cb 0.74 -0.01 -0.17 0.00 -0.94 0.00 0.00 39.48 39.10 2rei n PHE 624 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2rei s ALA 625 N -1.88 1.44 0.12 4.37 0.00 -0.17 -4.39 121.76 121.26 2rei s ALA 625 Ca 0.03 -0.56 -0.31 0.00 0.00 0.00 0.00 51.96 51.12 2rei s ALA 625 Cb 0.07 -0.73 -0.09 0.00 0.00 0.00 0.00 23.12 22.37 2rei s ALA 625 CO 0.37 -0.05 1.50 0.21 0.00 0.00 0.00 175.76 177.78 2rei s LYS 626 N 0.97 4.26 0.13 0.00 2.20 -1.26 -4.58 119.74 121.46 2rei s LYS 626 Ca -0.08 2.22 -0.30 0.00 -0.36 0.00 0.00 55.97 57.45 2rei s LYS 626 Cb -0.15 -3.28 -0.07 0.00 -1.51 0.00 0.00 37.83 32.82 2rei s LYS 626 CO -0.00 -0.56 1.21 -2.00 -0.36 0.00 0.00 175.35 173.64 2rei s GLU 627 N 1.41 4.46 0.09 4.03 2.56 -1.26 -0.36 118.70 129.62 2rei s GLU 627 Ca 0.68 1.84 0.05 0.00 0.00 0.00 0.00 54.97 57.54 2rei s GLU 627 Cb -0.40 -3.28 -0.04 0.00 2.00 0.00 0.00 34.13 32.41 2rei s GLU 627 CO 0.31 -0.18 0.01 -0.51 -0.56 0.00 0.00 175.26 174.33 2rei s LEU 628 N 0.39 3.52 -0.11 2.70 1.43 0.61 -4.86 118.68 122.35 2rei s LEU 628 Ca 0.56 -0.15 -0.28 0.00 -1.03 0.00 0.00 54.13 53.23 2rei s LEU 628 Cb -0.32 -2.24 -0.02 0.00 0.03 0.00 0.00 46.19 43.65 2rei s LEU 628 CO 0.33 0.17 0.92 -0.62 0.23 0.00 0.00 176.35 177.38 2rei s ASP 629 N -2.35 7.15 0.51 2.29 -1.08 -1.26 -4.68 116.67 117.23 2rei s ASP 629 Ca 0.26 1.40 0.18 0.00 -0.52 0.00 0.00 52.55 53.88 2rei s ASP 629 Cb -0.12 -2.51 1.27 0.00 -1.46 0.00 0.00 42.92 40.10 2rei s ASP 629 CO 0.19 -0.39 2.11 0.00 0.52 0.00 0.00 175.17 177.60 2rei h ALA 630 N 7.11 1.81 0.00 3.66 0.00 -1.96 -0.56 119.26 129.32 2rei h ALA 630 Ca -0.32 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2rei h ALA 630 Cb 1.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2rei h ALA 630 CO 0.83 0.08 0.00 0.66 0.00 0.00 0.00 179.25 180.82 2rei h SER 631 N 0.00 0.00 -0.15 0.00 4.64 -2.03 -1.88 113.55 114.13 2rei h SER 631 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2rei h SER 631 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 2rei h SER 631 CO 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.97 2rei s ILE 633 N -1.82 3.43 -0.22 0.00 1.01 -0.71 -0.72 121.20 122.18 2rei s ILE 633 Ca 0.34 -0.48 -0.07 0.00 0.00 0.00 0.00 60.65 60.44 2rei s ILE 633 Cb 0.20 -2.54 -0.03 0.00 0.01 0.00 0.00 42.46 40.09 2rei s ILE 633 CO 0.30 0.44 0.06 -0.75 0.00 0.00 0.00 174.94 174.99 2rei s LYS 634 N 1.22 3.79 -0.24 2.79 2.20 -0.04 -4.99 119.74 124.47 2rei s LYS 634 Ca 0.03 -0.43 -0.18 0.00 -0.36 0.00 0.00 55.97 55.03 2rei s LYS 634 Cb -0.14 -3.25 -0.03 0.00 -1.51 0.00 0.00 37.83 32.89 2rei s LYS 634 CO -0.01 0.03 0.49 0.42 -0.36 0.00 0.00 175.35 175.92 2rei s ILE 635 N 1.03 5.10 -0.26 5.43 1.09 -1.26 -1.70 121.20 130.63 2rei s ILE 635 Ca 0.04 0.86 -0.13 0.00 -1.10 0.00 0.00 60.65 60.32 2rei s ILE 635 Cb -0.14 -3.81 -0.11 0.00 -1.06 0.00 0.00 42.46 37.34 2rei s ILE 635 CO 0.03 0.14 -0.34 -0.62 -0.10 0.00 0.00 174.94 174.05 2rei n GLU 636 N 5.18 0.55 -3.80 2.79 1.02 0.27 -4.98 120.64 121.67 2rei n GLU 636 Ca -0.05 0.24 -0.12 0.00 -0.02 0.00 0.00 57.16 57.21 2rei n GLU 636 Cb 0.50 -1.43 -0.09 0.00 -0.02 0.00 0.00 31.44 30.40 2rei n GLU 636 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2rei s ARG 637 N -2.50 0.62 -0.07 3.49 0.52 -1.07 -4.99 118.95 114.95 2rei s ARG 637 Ca -0.36 -0.31 -0.29 0.00 -0.52 0.00 0.00 55.73 54.25 2rei s ARG 637 Cb 0.14 0.27 -0.02 0.00 0.52 0.00 0.00 34.95 35.85 2rei s ARG 637 CO 0.46 -0.17 0.97 0.08 0.02 0.00 0.00 175.30 176.66 2rei s VAL 638 N -1.51 4.84 -0.21 3.52 1.01 -1.26 -0.34 120.40 126.45 2rei s VAL 638 Ca -0.13 1.98 0.02 0.00 0.00 0.00 0.00 61.98 63.86 2rei s VAL 638 Cb -0.05 -4.29 -0.00 0.00 0.00 0.00 0.00 36.38 32.04 2rei s VAL 638 CO 0.02 0.07 0.31 2.30 0.00 0.00 0.00 175.10 177.81 2rei n ILE 639 N 4.30 0.00 -3.61 2.22 -5.35 0.80 -4.90 119.36 112.83 2rei n ILE 639 Ca 0.07 -0.47 -0.00 0.00 -0.27 0.00 0.00 62.75 62.08 2rei n ILE 639 Cb 0.50 1.02 -0.01 0.00 -1.74 0.00 0.00 39.64 39.41 2rei n ILE 639 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2rei s GLY 640 N -0.78 -0.35 -0.12 3.28 0.00 -0.79 -4.99 107.32 103.57 2rei s GLY 640 Ca 0.02 1.26 -0.05 0.00 0.00 0.00 0.00 44.72 45.95 2rei s GLY 640 CO 0.07 0.36 0.05 0.00 0.00 0.00 0.00 173.10 173.58 2rei s ALA 641 N -2.25 3.48 0.55 3.20 0.00 -1.26 -0.66 121.76 124.82 2rei s ALA 641 Ca 0.13 -0.74 0.05 0.00 0.00 0.00 0.00 51.96 51.39 2rei s ALA 641 Cb 0.03 -1.73 0.04 0.00 0.00 0.00 0.00 23.12 21.46 2rei s ALA 641 CO -0.04 0.49 0.41 0.20 0.00 0.00 0.00 175.76 176.82 2rei s GLY 642 N -0.59 2.38 0.42 0.00 0.00 -0.31 -4.87 107.32 104.36 2rei s GLY 642 Ca 0.11 -1.21 0.09 0.00 0.00 0.00 0.00 44.72 43.71 2rei s GLY 642 CO 0.02 -1.95 2.05 -2.09 0.00 0.00 0.00 173.10 171.14 2rei h GLU 643 N 0.72 0.46 0.00 2.90 4.81 -2.00 -3.23 114.58 118.24 2rei h GLU 643 Ca -0.36 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.84 2rei h GLU 643 Cb 1.31 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.58 2rei h GLU 643 CO 0.57 0.31 -1.47 1.19 -0.73 0.00 0.00 179.01 178.87 2rei n PHE 644 N -4.48 0.00 0.00 0.92 3.72 -1.26 -5.10 117.46 111.26 2rei n PHE 644 Ca 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 2rei n PHE 644 Cb 0.12 -0.25 0.00 0.00 -0.94 0.00 0.00 39.48 38.41 2rei n PHE 644 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2rei n GLY 645 N 1.81 0.02 3.75 1.37 0.00 -1.22 -1.91 105.19 109.01 2rei n GLY 645 Ca -0.02 -1.17 -0.38 0.00 0.00 0.00 0.00 46.02 44.45 2rei n GLY 645 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2rei s GLU 646 N -2.00 3.11 -0.14 1.61 2.02 -1.26 -1.16 118.70 120.88 2rei s GLU 646 Ca 0.00 2.11 -0.02 0.00 0.02 0.00 0.00 54.97 57.08 2rei s GLU 646 Cb 0.00 -2.18 -0.02 0.00 0.10 0.00 0.00 34.13 32.03 2rei s GLU 646 CO 0.00 -1.18 -0.07 0.08 0.02 0.00 0.00 175.26 174.11 2rei s VAL 647 N -1.38 3.59 0.25 2.63 1.01 0.17 -1.61 120.40 125.06 2rei s VAL 647 Ca 0.73 -0.47 0.10 0.00 0.00 0.00 0.00 61.98 62.34 2rei s VAL 647 Cb -0.37 -2.54 -0.05 0.00 0.00 0.00 0.00 36.38 33.41 2rei s VAL 647 CO 0.43 0.51 -0.17 0.00 0.00 0.00 0.00 175.10 175.88 2rei s SER 649 N -3.44 5.60 0.00 0.00 1.04 0.54 -0.16 113.70 117.28 2rei s SER 649 Ca 0.27 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.52 2rei s SER 649 Cb -0.03 -1.46 0.00 0.00 0.10 0.00 0.00 66.02 64.63 2rei s SER 649 CO 0.12 -0.01 0.00 0.61 0.98 0.00 0.00 173.24 174.94 2rei n GLY 650 N -0.95 -0.74 3.07 7.32 0.00 -0.16 -0.56 105.19 113.17 2rei n GLY 650 Ca -0.08 -0.37 -0.08 0.00 0.00 0.00 0.00 46.02 45.49 2rei n GLY 650 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2rei s ARG 651 N -0.20 0.56 -0.07 1.61 1.70 -0.69 -1.00 118.95 120.85 2rei s ARG 651 Ca 0.00 -1.07 0.03 0.00 -0.47 0.00 0.00 55.73 54.22 2rei s ARG 651 Cb 0.00 0.20 0.01 0.00 -0.57 0.00 0.00 34.95 34.58 2rei s ARG 651 CO 0.00 -0.10 -0.17 -1.17 -1.08 0.00 0.00 175.30 172.77 2rei s LEU 652 N -2.59 1.85 -0.32 -1.89 2.96 -0.06 -0.86 118.68 117.77 2rei s LEU 652 Ca 0.02 -0.41 -0.22 0.00 -0.22 0.00 0.00 54.13 53.31 2rei s LEU 652 Cb 0.04 -1.07 -0.00 0.00 0.50 0.00 0.00 46.19 45.66 2rei s LEU 652 CO -0.08 0.10 0.70 -0.75 -1.32 0.00 0.00 176.35 175.00 2rei s LYS 653 N 0.44 3.86 -0.01 1.98 2.20 0.11 -1.39 119.74 126.92 2rei s LYS 653 Ca -0.14 0.34 0.00 0.00 -0.36 0.00 0.00 55.97 55.81 2rei s LYS 653 Cb -0.16 -3.75 -0.04 0.00 -1.51 0.00 0.00 37.83 32.37 2rei s LYS 653 CO 0.05 -0.67 0.03 -0.51 -0.36 0.00 0.00 175.35 173.90 2rei s LEU 654 N 2.79 3.66 0.10 5.43 1.02 -1.26 -4.91 118.68 125.51 2rei s LEU 654 Ca 0.28 0.07 -0.31 0.00 0.02 0.00 0.00 54.13 54.19 2rei s LEU 654 Cb -0.14 -2.08 -0.10 0.00 0.02 0.00 0.00 46.19 43.89 2rei s LEU 654 CO 0.13 0.29 1.76 -2.16 0.02 0.00 0.00 176.35 176.39 2rei s PRO 655 N -1.54 4.16 0.00 1.29 0.04 -1.26 -2.78 135.00 134.91 2rei s PRO 655 Ca 0.20 2.49 0.00 0.00 0.04 0.00 0.00 61.00 63.73 2rei s PRO 655 Cb -0.12 -3.58 0.00 0.00 0.04 0.00 0.00 34.50 30.84 2rei s PRO 655 CO 0.11 -0.80 0.00 0.41 0.04 0.00 0.00 177.00 176.76 2rei n GLY 656 N 4.13 2.99 3.88 0.56 0.00 -1.26 -5.00 105.19 110.50 2rei n GLY 656 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 2rei n GLY 656 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rei s LYS 657 N -0.13 3.18 0.73 1.61 1.02 -1.12 -5.10 119.74 119.93 2rei s LYS 657 Ca 0.00 -0.81 -0.14 0.00 0.02 0.00 0.00 55.97 55.04 2rei s LYS 657 Cb 0.00 -2.77 0.04 0.00 -0.52 0.00 0.00 37.83 34.58 2rei s LYS 657 CO 0.00 0.46 1.16 -0.98 -0.92 0.00 0.00 175.35 175.07 2rei s ARG 658 N -3.52 2.25 0.46 1.68 1.04 -1.26 -4.53 118.95 115.06 2rei s ARG 658 Ca 0.33 1.59 -0.24 0.00 -1.04 0.00 0.00 55.73 56.37 2rei s ARG 658 Cb -0.10 -1.86 -0.09 0.00 -2.04 0.00 0.00 34.95 30.86 2rei s ARG 658 CO 0.26 -1.71 1.23 -0.25 -0.04 0.00 0.00 175.30 174.79 2rei n ASP 659 N -2.81 2.26 -4.77 -2.89 8.00 -1.26 -4.67 116.55 110.41 2rei n ASP 659 Ca 0.12 1.05 -0.37 0.00 0.71 0.00 0.00 54.79 56.31 2rei n ASP 659 Cb 0.51 -1.49 -0.07 0.00 -0.02 0.00 0.00 41.12 40.06 2rei n ASP 659 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2rei s VAL 660 N -1.25 5.32 0.15 2.53 1.01 -0.49 -4.93 120.40 122.74 2rei s VAL 660 Ca 0.64 0.47 -0.30 0.00 0.00 0.00 0.00 61.98 62.80 2rei s VAL 660 Cb -0.49 -3.58 -0.07 0.00 0.00 0.00 0.00 36.38 32.24 2rei s VAL 660 CO 0.56 0.47 1.09 0.00 0.00 0.00 0.00 175.10 177.21 2rei s ALA 661 N -0.04 3.35 0.08 5.51 0.00 -1.26 -0.89 121.76 128.51 2rei s ALA 661 Ca 0.16 0.77 0.02 0.00 0.00 0.00 0.00 51.96 52.91 2rei s ALA 661 Cb -0.13 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.60 2rei s ALA 661 CO 0.04 -0.21 -0.07 0.14 0.00 0.00 0.00 175.76 175.67 2rei s VAL 662 N -0.03 0.64 -0.04 0.00 -7.23 -0.17 -2.61 120.40 110.96 2rei s VAL 662 Ca 0.50 -1.63 -0.06 0.00 -1.81 0.00 0.00 61.98 58.98 2rei s VAL 662 Cb -0.28 -1.31 -0.04 0.00 0.56 0.00 0.00 36.38 35.31 2rei s VAL 662 CO 0.33 -0.70 0.20 0.00 -0.31 0.00 0.00 175.10 174.63 2rei s ALA 663 N -2.83 3.89 -0.22 1.32 0.00 0.02 -0.99 121.76 122.95 2rei s ALA 663 Ca 0.04 -0.64 0.01 0.00 0.00 0.00 0.00 51.96 51.37 2rei s ALA 663 Cb -0.00 -1.99 0.05 0.00 0.00 0.00 0.00 23.12 21.19 2rei s ALA 663 CO -0.03 0.66 -0.07 0.42 0.00 0.00 0.00 175.76 176.74 2rei s ILE 664 N -1.20 1.58 -0.22 0.00 1.01 0.77 -0.95 121.20 122.18 2rei s ILE 664 Ca 0.23 -1.15 -0.20 0.00 0.00 0.00 0.00 60.65 59.52 2rei s ILE 664 Cb -0.13 -1.77 -0.02 0.00 0.01 0.00 0.00 42.46 40.55 2rei s ILE 664 CO 0.12 -0.01 0.62 -0.54 0.00 0.00 0.00 174.94 175.13 2rei s LYS 665 N 1.39 4.16 0.10 2.79 1.02 0.37 -0.63 119.74 128.93 2rei s LYS 665 Ca -0.04 0.56 -0.03 0.00 0.02 0.00 0.00 55.97 56.48 2rei s LYS 665 Cb -0.18 -3.61 -0.05 0.00 -0.52 0.00 0.00 37.83 33.47 2rei s LYS 665 CO -0.07 -0.31 0.30 0.95 -0.92 0.00 0.00 175.35 175.30 2rei s THR 666 N 2.17 5.26 -0.40 2.17 -4.23 -0.64 -0.94 115.64 119.04 2rei s THR 666 Ca 0.27 -0.10 -0.13 0.00 -1.18 0.00 0.00 61.69 60.55 2rei s THR 666 Cb -0.16 -3.62 0.03 0.00 1.34 0.00 0.00 72.50 70.09 2rei s THR 666 CO 0.09 0.11 0.26 -0.22 -0.54 0.00 0.00 174.62 174.32 2rei s LEU 667 N -2.50 4.95 0.33 4.79 2.96 -0.65 -3.43 118.68 125.12 2rei s LEU 667 Ca 0.37 -1.00 -0.29 0.00 -0.22 0.00 0.00 54.13 52.99 2rei s LEU 667 Cb -0.13 -2.09 -0.12 0.00 0.50 0.00 0.00 46.19 44.36 2rei s LEU 667 CO 0.25 -0.43 1.48 1.17 -1.32 0.00 0.00 176.35 177.49 2rei n LYS 668 N 5.07 2.51 -1.54 1.98 4.81 -0.80 -4.53 118.16 125.66 2rei n LYS 668 Ca -0.11 0.89 -0.42 0.00 -0.87 0.00 0.00 58.31 57.79 2rei n LYS 668 Cb 0.46 -2.60 0.01 0.00 0.02 0.00 0.00 35.03 32.92 2rei n LYS 668 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 2rei n VAL 669 N 1.17 2.18 -0.32 3.15 3.14 -1.26 -3.06 118.33 123.34 2rei n VAL 669 Ca 0.06 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.94 2rei n VAL 669 Cb 0.37 -0.87 0.00 0.00 -1.06 0.00 0.00 33.84 32.28 2rei n VAL 669 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2rei n GLY 670 N 1.44 0.83 3.76 7.55 0.00 -1.26 -5.06 105.19 112.45 2rei n GLY 670 Ca 0.11 -0.07 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 2rei n GLY 670 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2rei s TYR 671 N -2.00 2.57 0.90 1.61 -0.85 -1.17 -5.04 117.35 113.36 2rei s TYR 671 Ca 0.00 1.42 -0.14 0.00 -0.52 0.00 0.00 57.07 57.82 2rei s TYR 671 Cb 0.00 -3.67 0.15 0.00 0.38 0.00 0.00 41.96 38.82 2rei s TYR 671 CO 0.00 -2.35 1.26 0.95 -1.52 0.00 0.00 175.55 173.89 2rei s THR 672 N -1.35 2.00 0.21 -3.49 -4.23 -1.26 -4.93 115.64 102.58 2rei s THR 672 Ca 0.65 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 61.14 2rei s THR 672 Cb -0.37 -3.00 -0.03 0.00 1.34 0.00 0.00 72.50 70.44 2rei s THR 672 CO 0.45 0.00 1.55 -0.08 -0.54 0.00 0.00 174.62 176.00 2rei h GLU 673 N -1.40 0.55 -0.36 3.99 4.57 -1.99 -2.37 114.58 117.57 2rei h GLU 673 Ca -0.45 -0.31 -0.01 0.00 -1.18 0.00 0.00 59.36 57.40 2rei h GLU 673 Cb 1.28 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.87 2rei h GLU 673 CO 0.50 0.91 0.18 -0.22 -1.18 0.00 0.00 179.01 179.20 2rei h LYS 674 N 0.43 0.52 -0.62 1.92 3.64 -1.99 -0.02 116.57 120.46 2rei h LYS 674 Ca 0.02 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 2rei h LYS 674 Cb 1.00 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.70 2rei h LYS 674 CO 0.09 0.46 0.36 1.96 -2.27 0.00 0.00 179.45 180.05 2rei h GLN 675 N 0.45 0.85 -0.34 1.90 4.20 -1.93 0.16 115.11 120.40 2rei h GLN 675 Ca 0.13 -0.09 0.01 0.00 0.06 0.00 0.00 58.65 58.76 2rei h GLN 675 Cb 0.11 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 2rei h GLN 675 CO -0.02 0.62 0.22 -0.09 -0.67 0.00 0.00 178.83 178.89 2rei h ARG 676 N 0.84 0.43 0.08 1.46 2.43 -1.14 0.16 114.38 118.63 2rei h ARG 676 Ca 0.22 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.37 2rei h ARG 676 Cb 0.00 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 2rei h ARG 676 CO -0.04 0.29 -0.09 -0.09 -1.51 0.00 0.00 179.97 178.53 2rei h ARG 677 N 0.45 -0.18 -0.63 0.20 2.43 -0.68 0.37 114.38 116.34 2rei h ARG 677 Ca 0.13 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.27 2rei h ARG 677 Cb -0.04 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 2rei h ARG 677 CO -0.04 -0.12 0.22 -0.44 -1.51 0.00 0.00 179.97 178.08 2rei h ASP 678 N -0.19 0.90 0.27 -3.80 3.32 -0.44 -1.60 116.42 114.88 2rei h ASP 678 Ca 0.01 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 56.85 2rei h ASP 678 Cb 0.19 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.51 2rei h ASP 678 CO -0.03 0.85 -0.13 0.15 -1.72 0.00 0.00 179.24 178.35 2rei h PHE 679 N 0.89 -0.34 0.00 4.55 3.57 -0.59 -3.10 116.94 121.93 2rei h PHE 679 Ca 0.21 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.70 2rei h PHE 679 Cb 0.26 0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.11 2rei h PHE 679 CO 0.02 -0.18 0.00 -0.07 -2.23 0.00 0.00 178.31 175.84 2rei h LEU 680 N -0.40 0.00 -1.66 0.59 3.38 -0.74 -2.83 115.31 113.65 2rei h LEU 680 Ca -0.04 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.05 2rei h LEU 680 Cb 0.30 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 2rei h LEU 680 CO 0.06 0.00 0.42 0.00 0.09 0.00 0.00 178.44 179.01 2rei h GLU 682 N 0.37 1.04 -0.38 0.00 4.81 -1.64 -1.84 114.58 116.95 2rei h GLU 682 Ca 0.30 -0.06 -0.15 0.00 -0.13 0.00 0.00 59.36 59.31 2rei h GLU 682 Cb 0.66 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 2rei h GLU 682 CO -0.08 0.69 -0.37 0.00 -0.73 0.00 0.00 179.01 178.52 2rei h ALA 683 N 1.35 0.63 -0.84 2.92 0.00 -1.27 0.75 119.26 122.79 2rei h ALA 683 Ca 0.33 -0.45 0.02 0.00 0.00 0.00 0.00 54.91 54.82 2rei h ALA 683 Cb -0.01 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 2rei h ALA 683 CO -0.11 0.67 0.56 0.77 0.00 0.00 0.00 179.25 181.14 2rei h SER 684 N 0.74 0.95 0.14 0.00 0.02 -0.99 0.96 113.55 115.36 2rei h SER 684 Ca 0.06 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 2rei h SER 684 Cb 0.95 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.26 2rei h SER 684 CO 0.09 0.67 -0.07 0.40 -1.14 0.00 0.00 176.83 176.79 2rei h ILE 685 N 1.11 0.53 -0.66 3.27 2.04 -1.22 -3.34 117.51 119.25 2rei h ILE 685 Ca 0.32 -1.15 0.06 0.00 1.00 0.00 0.00 64.86 65.09 2rei h ILE 685 Cb -0.08 0.95 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 2rei h ILE 685 CO -0.08 0.16 0.44 -0.03 0.00 0.00 0.00 178.15 178.64 2rei h MET 686 N -0.98 0.63 0.00 2.37 4.05 -0.74 -1.11 114.93 119.15 2rei h MET 686 Ca -0.02 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.36 2rei h MET 686 Cb 0.40 -0.14 0.00 0.00 -0.80 0.00 0.00 31.60 31.06 2rei h MET 686 CO 0.03 0.42 0.03 0.78 0.23 0.00 0.00 176.91 178.40 2rei h GLY 687 N 0.65 0.00 1.56 1.39 0.00 -0.93 -2.23 103.07 103.51 2rei h GLY 687 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.62 2rei h GLY 687 CO -0.09 0.00 -0.13 -1.06 0.00 0.00 0.00 176.54 175.26 2rei n GLN 688 N -3.04 0.15 -4.20 4.80 6.02 -0.42 -4.88 117.38 115.82 2rei n GLN 688 Ca -0.03 -0.04 -0.30 0.00 -0.01 0.00 0.00 57.00 56.62 2rei n GLN 688 Cb 0.10 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 29.77 2rei n GLN 688 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2rei s PHE 689 N -2.88 2.93 -0.33 1.08 0.08 -0.84 -4.98 117.98 113.04 2rei s PHE 689 Ca 0.17 -0.05 0.02 0.00 0.12 0.00 0.00 56.93 57.20 2rei s PHE 689 Cb 0.19 -1.53 0.15 0.00 -0.57 0.00 0.00 43.02 41.26 2rei s PHE 689 CO 0.55 0.46 0.38 0.34 -0.10 0.00 0.00 175.22 176.84 2rei s ASP 690 N -2.14 0.97 -0.09 1.36 2.15 -1.26 -4.88 116.67 112.78 2rei s ASP 690 Ca 0.23 -1.02 -0.17 0.00 0.43 0.00 0.00 52.55 52.02 2rei s ASP 690 Cb -0.11 0.75 0.04 0.00 -0.30 0.00 0.00 42.92 43.30 2rei s ASP 690 CO 0.16 -0.31 0.41 -2.28 -0.17 0.00 0.00 175.17 172.97 2rei s HIS 691 N 1.98 -0.38 0.59 -5.34 2.46 -1.26 -5.04 115.29 108.30 2rei s HIS 691 Ca 0.13 0.79 0.29 0.00 0.47 0.00 0.00 55.06 56.74 2rei s HIS 691 Cb -0.14 0.16 1.60 0.00 -0.13 0.00 0.00 32.58 34.08 2rei s HIS 691 CO -0.18 -0.34 2.03 -1.35 -2.47 0.00 0.00 174.74 172.43 2rei h PRO 692 N 4.55 0.00 -0.33 2.88 0.11 -2.00 -2.10 132.00 135.11 2rei h PRO 692 Ca -0.28 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.73 2rei h PRO 692 Cb 1.17 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.23 2rei h PRO 692 CO 0.32 0.00 -0.00 0.09 -0.21 0.00 0.00 178.00 178.20 2rei n ASN 693 N -3.75 3.27 -4.02 -2.05 4.13 -1.26 -4.87 115.26 106.71 2rei n ASN 693 Ca 0.04 -3.36 -0.26 0.00 1.68 0.00 0.00 54.58 52.67 2rei n ASN 693 Cb 0.44 -0.60 -0.17 0.00 -1.54 0.00 0.00 39.78 37.92 2rei n ASN 693 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2rei s VAL 694 N -3.03 1.23 0.39 2.41 1.01 -0.79 -0.65 120.40 120.97 2rei s VAL 694 Ca 0.44 -0.50 -0.26 0.00 0.00 0.00 0.00 61.98 61.65 2rei s VAL 694 Cb 0.37 -1.14 -0.11 0.00 0.00 0.00 0.00 36.38 35.51 2rei s VAL 694 CO 0.05 0.38 1.25 1.33 0.00 0.00 0.00 175.10 178.12 2rei n VAL 695 N 4.08 2.32 -3.27 2.92 0.24 -0.69 -4.56 118.33 119.36 2rei n VAL 695 Ca -0.20 -0.50 -0.38 0.00 -2.04 0.00 0.00 64.34 61.21 2rei n VAL 695 Cb 0.51 -1.52 -0.06 0.00 -1.47 0.00 0.00 33.84 31.30 2rei n VAL 695 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2rei s HIS 696 N -1.16 3.60 -0.19 6.34 2.46 -1.26 -4.98 115.29 120.10 2rei s HIS 696 Ca 0.59 1.04 -0.23 0.00 0.47 0.00 0.00 55.06 56.93 2rei s HIS 696 Cb -0.54 -2.56 -0.02 0.00 -0.13 0.00 0.00 32.58 29.33 2rei s HIS 696 CO 0.60 0.28 0.72 -1.17 -2.47 0.00 0.00 174.74 172.69 2rei s LEU 697 N 0.17 4.15 -0.02 8.88 2.96 -1.26 -1.15 118.68 132.41 2rei s LEU 697 Ca 0.28 0.97 -0.19 0.00 -0.22 0.00 0.00 54.13 54.98 2rei s LEU 697 Cb -0.17 -3.04 -0.33 0.00 0.50 0.00 0.00 46.19 43.16 2rei s LEU 697 CO 0.14 -0.33 0.90 -0.33 -1.32 0.00 0.00 176.35 175.41 2rei h GLU 698 N 7.44 0.39 0.00 1.98 4.39 -1.14 -3.48 114.58 124.16 2rei h GLU 698 Ca -0.30 -0.67 0.00 0.00 0.34 0.00 0.00 59.36 58.73 2rei h GLU 698 Cb 1.14 0.25 0.00 0.00 -0.10 0.00 0.00 28.75 30.04 2rei h GLU 698 CO 0.80 1.32 0.00 0.41 -1.16 0.00 0.00 179.01 180.38 2rei n GLY 699 N 1.70 -0.80 3.11 -3.84 0.00 -0.97 -4.61 105.19 99.77 2rei n GLY 699 Ca -0.16 -1.11 -0.08 0.00 0.00 0.00 0.00 46.02 44.67 2rei n GLY 699 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2rei s VAL 700 N -3.00 0.19 -0.19 1.61 -7.23 0.51 -0.61 120.40 111.68 2rei s VAL 700 Ca 0.00 -1.56 0.01 0.00 -1.81 0.00 0.00 61.98 58.62 2rei s VAL 700 Cb 0.00 -1.34 0.03 0.00 0.56 0.00 0.00 36.38 35.63 2rei s VAL 700 CO 0.00 -0.86 -0.16 -0.69 -0.31 0.00 0.00 175.10 173.07 2rei s VAL 701 N -3.61 1.95 -0.02 1.32 1.01 -0.31 -0.29 120.40 120.45 2rei s VAL 701 Ca 0.04 -1.02 0.04 0.00 0.00 0.00 0.00 61.98 61.04 2rei s VAL 701 Cb 0.05 -1.85 -0.06 0.00 0.00 0.00 0.00 36.38 34.52 2rei s VAL 701 CO -0.09 0.38 0.07 0.35 0.00 0.00 0.00 175.10 175.82 2rei n THR 702 N 4.62 0.09 -3.78 3.92 -2.24 -1.26 -1.40 114.28 114.22 2rei n THR 702 Ca -0.18 -0.13 -0.12 0.00 -2.27 0.00 0.00 64.05 61.35 2rei n THR 702 Cb 0.48 0.01 -0.08 0.00 -2.10 0.00 0.00 70.33 68.64 2rei n THR 702 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2rei s ARG 703 N -2.25 0.73 0.00 -0.78 1.81 -1.26 -4.93 118.95 112.28 2rei s ARG 703 Ca -0.02 -0.44 0.00 0.00 -1.72 0.00 0.00 55.73 53.55 2rei s ARG 703 Cb 0.02 0.32 0.00 0.00 -0.45 0.00 0.00 34.95 34.84 2rei s ARG 703 CO 0.18 -0.22 0.00 0.41 -0.68 0.00 0.00 175.30 174.99 2rei n GLY 704 N 0.83 3.03 3.26 -3.53 0.00 -1.26 -4.91 105.19 102.61 2rei n GLY 704 Ca -0.20 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 2rei n GLY 704 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rei s LYS 705 N -0.09 1.17 0.15 1.61 -0.14 -1.26 -5.12 119.74 116.06 2rei s LYS 705 Ca 0.00 -1.45 -0.34 0.00 -1.36 0.00 0.00 55.97 52.82 2rei s LYS 705 Cb 0.00 0.31 -0.14 0.00 -1.68 0.00 0.00 37.83 36.31 2rei s LYS 705 CO 0.00 -0.39 1.50 -2.30 -0.76 0.00 0.00 175.35 173.40 2rei n PRO 706 N -0.23 1.91 -2.47 -1.68 -0.02 -1.26 -4.77 135.00 126.48 2rei n PRO 706 Ca -0.02 0.69 -0.41 0.00 -2.02 0.00 0.00 63.50 61.73 2rei n PRO 706 Cb 0.64 -2.41 -0.04 0.00 -0.02 0.00 0.00 33.50 31.67 2rei n PRO 706 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2rei s VAL 707 N 0.70 3.86 0.01 -1.45 1.01 -1.26 -4.80 120.40 118.47 2rei s VAL 707 Ca 0.79 1.53 -0.16 0.00 0.00 0.00 0.00 61.98 64.14 2rei s VAL 707 Cb -0.74 -3.98 0.03 0.00 0.00 0.00 0.00 36.38 31.69 2rei s VAL 707 CO 0.41 0.23 0.34 -0.04 0.00 0.00 0.00 175.10 176.04 2rei s MET 708 N -0.02 0.77 -0.13 2.72 -1.94 -0.50 -1.64 119.30 118.56 2rei s MET 708 Ca 0.52 -0.29 0.01 0.00 -1.71 0.00 0.00 55.69 54.22 2rei s MET 708 Cb -0.30 0.34 -0.01 0.00 2.01 0.00 0.00 34.83 36.88 2rei s MET 708 CO 0.34 -0.23 -0.17 0.42 -0.01 0.00 0.00 175.02 175.37 2rei s ILE 709 N -1.86 2.62 -0.20 2.53 1.01 -0.11 -1.17 121.20 124.02 2rei s ILE 709 Ca -0.10 -0.81 -0.02 0.00 0.00 0.00 0.00 60.65 59.73 2rei s ILE 709 Cb -0.03 -2.08 0.00 0.00 0.01 0.00 0.00 42.46 40.36 2rei s ILE 709 CO 0.01 0.53 -0.10 -0.69 0.00 0.00 0.00 174.94 174.70 2rei s VAL 710 N 0.51 2.90 0.30 2.92 1.01 0.23 -0.48 120.40 127.79 2rei s VAL 710 Ca -0.11 -0.65 0.06 0.00 0.00 0.00 0.00 61.98 61.28 2rei s VAL 710 Cb -0.16 -2.29 -0.06 0.00 0.00 0.00 0.00 36.38 33.87 2rei s VAL 710 CO 0.05 0.47 -0.04 0.27 0.00 0.00 0.00 175.10 175.84 2rei s ILE 711 N 1.38 1.63 0.40 2.22 -4.36 -0.12 -0.55 121.20 121.79 2rei s ILE 711 Ca 0.05 -2.10 -0.27 0.00 -0.26 0.00 0.00 60.65 58.07 2rei s ILE 711 Cb -0.14 -2.55 -0.10 0.00 1.25 0.00 0.00 42.46 40.92 2rei s ILE 711 CO -0.06 -0.23 1.42 -1.84 0.24 0.00 0.00 174.94 174.46 2rei n GLU 712 N -0.63 2.38 -2.75 0.37 0.28 -0.30 -0.80 120.64 119.18 2rei n GLU 712 Ca -0.05 0.84 -0.42 0.00 -0.16 0.00 0.00 57.16 57.37 2rei n GLU 712 Cb 0.64 -2.58 -0.03 0.00 1.43 0.00 0.00 31.44 30.90 2rei n GLU 712 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 2rei s PHE 713 N -1.15 3.67 -0.47 -1.84 5.36 -1.07 -4.11 117.98 118.37 2rei s PHE 713 Ca 0.57 1.66 -0.02 0.00 -0.96 0.00 0.00 56.93 58.18 2rei s PHE 713 Cb -0.48 -3.08 0.12 0.00 -0.34 0.00 0.00 43.02 39.24 2rei s PHE 713 CO 0.61 0.02 0.26 -1.64 -1.46 0.00 0.00 175.22 173.01 2rei s MET 714 N 0.89 2.12 0.59 10.12 -1.94 -1.26 -4.88 119.30 124.93 2rei s MET 714 Ca 0.50 -2.06 0.28 0.00 -1.71 0.00 0.00 55.69 52.70 2rei s MET 714 Cb -0.21 -3.58 1.62 0.00 2.01 0.00 0.00 34.83 34.67 2rei s MET 714 CO 0.27 -1.09 2.07 1.49 -0.01 0.00 0.00 175.02 177.75 2rei h GLU 715 N 7.65 0.00 -0.06 2.03 4.81 -1.83 -1.31 114.58 125.87 2rei h GLU 715 Ca -0.09 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 2rei h GLU 715 Cb 1.01 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.39 2rei h GLU 715 CO 0.69 0.00 0.00 0.09 -0.73 0.00 0.00 179.01 179.06 2rei n ASN 716 N -3.83 2.72 0.00 1.04 3.02 0.03 -4.93 115.26 113.31 2rei n ASN 716 Ca 0.03 -1.84 0.00 0.00 -0.03 0.00 0.00 54.58 52.74 2rei n ASN 716 Cb 0.37 -0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.51 2rei n ASN 716 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2rei n GLY 717 N 1.13 -0.12 3.76 7.41 0.00 -0.49 -4.61 105.19 112.27 2rei n GLY 717 Ca 0.12 -1.00 -0.41 0.00 0.00 0.00 0.00 46.02 44.74 2rei n GLY 717 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rei s ALA 718 N -1.41 3.46 0.26 4.61 0.00 -1.26 -0.88 121.76 126.53 2rei s ALA 718 Ca 0.00 1.10 -0.04 0.00 0.00 0.00 0.00 51.96 53.02 2rei s ALA 718 Cb 0.00 -3.42 0.32 0.00 0.00 0.00 0.00 23.12 20.02 2rei s ALA 718 CO 0.00 -0.44 1.87 1.25 0.00 0.00 0.00 175.76 178.44 2rei h LEU 719 N 3.79 0.99 -0.22 0.00 5.85 -0.68 -1.46 115.31 123.58 2rei h LEU 719 Ca -0.48 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.12 2rei h LEU 719 Cb 1.22 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.99 2rei h LEU 719 CO 0.67 0.82 0.05 -2.24 -0.34 0.00 0.00 178.44 177.41 2rei h ASP 720 N 1.09 0.34 -0.73 1.25 2.03 -1.83 -0.30 116.42 118.27 2rei h ASP 720 Ca 0.27 -0.23 -0.04 0.00 -0.73 0.00 0.00 57.03 56.29 2rei h ASP 720 Cb 0.08 -0.09 -0.03 0.00 -0.83 0.00 0.00 39.33 38.46 2rei h ASP 720 CO -0.04 0.48 0.29 0.00 -1.03 0.00 0.00 179.24 178.95 2rei h ALA 721 N 0.86 1.11 -0.24 4.15 0.00 -1.87 -1.78 119.26 121.49 2rei h ALA 721 Ca 0.07 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2rei h ALA 721 Cb 0.28 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2rei h ALA 721 CO 0.00 0.64 0.14 0.35 0.00 0.00 0.00 179.25 180.38 2rei h PHE 722 N 1.09 0.31 -0.13 0.00 3.57 -1.01 -1.77 116.94 119.00 2rei h PHE 722 Ca 0.25 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.64 2rei h PHE 722 Cb 0.21 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 2rei h PHE 722 CO 0.02 0.24 -0.41 -0.07 -2.23 0.00 0.00 178.31 175.87 2rei h LEU 723 N 0.29 0.32 -0.88 0.59 3.38 -0.86 -1.67 115.31 116.47 2rei h LEU 723 Ca 0.08 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 2rei h LEU 723 Cb 0.02 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 2rei h LEU 723 CO -0.02 0.69 0.37 0.03 0.09 0.00 0.00 178.44 179.61 2rei h ARG 724 N 0.25 1.18 -0.29 1.13 3.08 -1.07 -0.38 114.38 118.29 2rei h ARG 724 Ca 0.02 -0.18 -0.10 0.00 0.07 0.00 0.00 59.98 59.79 2rei h ARG 724 Cb 0.83 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 2rei h ARG 724 CO 0.07 0.92 -0.26 -0.22 -1.07 0.00 0.00 179.97 179.41 2rei h LYS 725 N 1.17 0.56 -0.75 0.04 3.64 -0.97 -3.10 116.57 117.16 2rei h LYS 725 Ca 0.28 -0.22 -0.44 0.00 -1.27 0.00 0.00 60.65 58.99 2rei h LYS 725 Cb 0.14 -0.03 -0.25 0.00 -0.41 0.00 0.00 32.23 31.68 2rei h LYS 725 CO -0.03 0.77 0.27 0.72 -2.27 0.00 0.00 179.45 178.91 2rei n HIS 726 N -4.11 2.39 -1.66 1.91 8.25 -0.66 -5.02 115.22 116.32 2rei n HIS 726 Ca -0.00 -2.09 -0.48 0.00 -0.26 0.00 0.00 57.72 54.89 2rei n HIS 726 Cb 0.42 -0.84 -0.05 0.00 1.12 0.00 0.00 29.99 30.65 2rei n HIS 726 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2rei n ASP 727 N -1.04 2.91 -0.35 0.41 -0.08 -0.20 -1.30 116.55 116.91 2rei n ASP 727 Ca 0.50 1.06 -0.05 0.00 -1.51 0.00 0.00 54.79 54.80 2rei n ASP 727 Cb 1.14 -1.36 -0.02 0.00 2.34 0.00 0.00 41.12 43.21 2rei n ASP 727 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2rei n GLY 728 N 3.52 0.71 0.64 0.27 0.00 -1.26 -4.91 105.19 104.16 2rei n GLY 728 Ca 0.19 -0.43 0.08 0.00 0.00 0.00 0.00 46.02 45.86 2rei n GLY 728 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2rei n GLN 729 N -2.31 1.23 -5.26 1.61 6.02 -0.42 -4.96 117.38 113.30 2rei n GLN 729 Ca -0.05 -1.46 -0.31 0.00 -0.01 0.00 0.00 57.00 55.17 2rei n GLN 729 Cb 0.22 -1.30 -0.16 0.00 1.02 0.00 0.00 30.24 30.01 2rei n GLN 729 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2rei s PHE 730 N -1.31 2.34 0.81 1.08 0.08 -1.26 -5.13 117.98 114.59 2rei s PHE 730 Ca 0.19 -0.58 -0.11 0.00 0.12 0.00 0.00 56.93 56.55 2rei s PHE 730 Cb 0.13 -1.52 0.08 0.00 -0.57 0.00 0.00 43.02 41.14 2rei s PHE 730 CO 0.20 -0.13 1.09 0.95 -0.10 0.00 0.00 175.22 177.23 2rei s THR 731 N -0.37 3.14 0.20 0.64 -4.23 -1.26 -4.80 115.64 108.97 2rei s THR 731 Ca 0.03 0.37 -0.10 0.00 -1.18 0.00 0.00 61.69 60.81 2rei s THR 731 Cb -0.12 -2.94 0.14 0.00 1.34 0.00 0.00 72.50 70.92 2rei s THR 731 CO 0.01 -0.48 1.73 0.58 -0.54 0.00 0.00 174.62 175.92 2rei h VAL 732 N -1.21 0.73 -0.58 2.29 2.07 -1.99 -0.58 116.25 116.97 2rei h VAL 732 Ca -0.46 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 66.92 2rei h VAL 732 Cb 1.25 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 2rei h VAL 732 CO 0.55 0.06 0.26 -0.29 0.02 0.00 0.00 177.57 178.17 2rei h ILE 733 N 0.33 1.20 -0.39 4.57 -0.00 -1.96 0.30 117.51 121.56 2rei h ILE 733 Ca 0.30 -0.59 -0.04 0.00 -0.00 0.00 0.00 64.86 64.53 2rei h ILE 733 Cb 0.39 0.48 -0.02 0.00 -0.00 0.00 0.00 36.82 37.67 2rei h ILE 733 CO -0.33 0.24 0.08 1.56 -0.00 0.00 0.00 178.15 179.70 2rei h GLN 734 N 0.83 0.63 -0.56 2.19 4.20 -1.74 -0.94 115.11 119.72 2rei h GLN 734 Ca 0.20 -0.16 -0.06 0.00 0.06 0.00 0.00 58.65 58.69 2rei h GLN 734 Cb 0.12 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 2rei h GLN 734 CO -0.02 0.67 0.12 -0.07 -0.67 0.00 0.00 178.83 178.86 2rei h LEU 735 N 0.49 0.87 -1.32 1.46 3.38 -0.65 -2.11 115.31 117.43 2rei h LEU 735 Ca 0.12 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 2rei h LEU 735 Cb 0.33 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2rei h LEU 735 CO 0.00 0.89 0.21 0.58 0.09 0.00 0.00 178.44 180.22 2rei h VAL 736 N 0.81 1.17 -0.83 1.22 2.07 -0.34 -1.28 116.25 119.08 2rei h VAL 736 Ca 0.17 -0.51 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 2rei h VAL 736 Cb 0.37 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 2rei h VAL 736 CO 0.01 0.20 0.47 1.23 0.02 0.00 0.00 177.57 179.49 2rei h GLY 737 N 0.80 1.23 0.94 2.17 0.00 -0.66 0.16 103.07 107.71 2rei h GLY 737 Ca 0.17 -0.55 -0.00 0.00 0.00 0.00 0.00 47.33 46.95 2rei h GLY 737 CO -0.02 0.52 0.12 -0.33 0.00 0.00 0.00 176.54 176.84 2rei h MET 738 N 1.15 0.32 -0.45 4.80 2.07 -0.74 -1.90 114.93 120.17 2rei h MET 738 Ca 0.29 -0.04 -0.02 0.00 -2.07 0.00 0.00 59.70 57.86 2rei h MET 738 Cb 0.01 -0.06 -0.02 0.00 -1.87 0.00 0.00 31.60 29.66 2rei h MET 738 CO -0.05 0.30 0.19 -0.07 1.07 0.00 0.00 176.91 178.35 2rei h LEU 739 N 0.25 0.58 -0.58 1.22 3.38 -0.80 -1.92 115.31 117.44 2rei h LEU 739 Ca 0.08 -0.06 -0.13 0.00 0.09 0.00 0.00 57.88 57.86 2rei h LEU 739 Cb 0.07 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2rei h LEU 739 CO -0.01 0.52 -0.22 -0.09 0.09 0.00 0.00 178.44 178.73 2rei h ARG 740 N 0.64 0.90 -0.28 1.13 1.12 -0.40 -0.05 114.38 117.45 2rei h ARG 740 Ca 0.16 -0.38 0.00 0.00 -1.11 0.00 0.00 59.98 58.65 2rei h ARG 740 Cb 0.12 -0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 30.03 2rei h ARG 740 CO -0.02 1.03 0.18 0.78 -3.11 0.00 0.00 179.97 178.83 2rei h GLY 741 N 0.92 0.40 0.99 2.80 0.00 -0.95 0.21 103.07 107.43 2rei h GLY 741 Ca 0.10 -0.16 -0.03 0.00 0.00 0.00 0.00 47.33 47.25 2rei h GLY 741 CO 0.06 0.16 0.26 -2.22 0.00 0.00 0.00 176.54 174.80 2rei h ILE 742 N 0.36 1.21 -0.66 2.60 2.04 -1.14 -0.97 117.51 120.96 2rei h ILE 742 Ca 0.10 -0.63 -0.04 0.00 1.00 0.00 0.00 64.86 65.29 2rei h ILE 742 Cb -0.01 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 36.61 2rei h ILE 742 CO -0.02 0.25 0.25 0.00 0.00 0.00 0.00 178.15 178.63 2rei h ALA 743 N 1.10 1.19 -0.54 1.87 0.00 -0.76 -0.80 119.26 121.32 2rei h ALA 743 Ca 0.19 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 2rei h ALA 743 Cb 0.15 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2rei h ALA 743 CO -0.02 0.58 0.08 0.00 0.00 0.00 0.00 179.25 179.89 2rei h ALA 744 N 1.31 0.72 -0.41 0.00 0.00 -0.51 0.27 119.26 120.65 2rei h ALA 744 Ca 0.22 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.90 2rei h ALA 744 Cb 0.21 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2rei h ALA 744 CO -0.02 0.48 0.22 0.78 0.00 0.00 0.00 179.25 180.71 2rei h GLY 745 N 0.80 0.56 1.48 0.00 0.00 -0.85 -1.85 103.07 103.22 2rei h GLY 745 Ca 0.16 -0.16 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 2rei h GLY 745 CO 0.01 0.13 -0.28 -0.33 0.00 0.00 0.00 176.54 176.07 2rei h MET 746 N 0.45 0.60 -0.66 4.80 2.86 -0.89 -1.04 114.93 121.04 2rei h MET 746 Ca 0.17 -0.25 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 2rei h MET 746 Cb 0.04 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 2rei h MET 746 CO -0.10 0.82 0.43 -0.09 1.06 0.00 0.00 176.91 179.03 2rei h ARG 747 N 0.52 0.88 0.12 1.72 2.43 -0.27 0.83 114.38 120.61 2rei h ARG 747 Ca 0.07 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 2rei h ARG 747 Cb 0.75 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 2rei h ARG 747 CO 0.06 0.59 -0.06 -0.92 -1.51 0.00 0.00 179.97 178.13 2rei h TYR 748 N 0.89 -0.15 -0.54 2.20 3.20 -0.98 -1.52 116.97 120.07 2rei h TYR 748 Ca 0.24 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.13 2rei h TYR 748 Cb -0.08 0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.20 2rei h TYR 748 CO -0.02 -0.04 0.33 -0.07 -1.64 0.00 0.00 178.16 176.71 2rei h LEU 749 N -0.23 0.53 -1.00 2.82 3.38 -0.93 -1.23 115.31 118.66 2rei h LEU 749 Ca -0.02 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 2rei h LEU 749 Cb 0.18 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 2rei h LEU 749 CO 0.03 0.37 0.32 0.00 0.09 0.00 0.00 178.44 179.25 2rei h ALA 750 N 1.24 1.21 0.00 1.53 0.00 -0.74 -0.63 119.26 121.87 2rei h ALA 750 Ca 0.22 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 2rei h ALA 750 Cb 0.03 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2rei h ALA 750 CO -0.10 0.59 -0.33 0.22 0.00 0.00 0.00 179.25 179.63 2rei h ASP 751 N 1.02 0.00 0.73 0.00 3.58 -0.75 -1.40 116.42 119.60 2rei h ASP 751 Ca 0.25 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.70 2rei h ASP 751 Cb 0.14 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.19 2rei h ASP 751 CO -0.03 0.33 0.00 0.23 -2.88 0.00 0.00 179.24 176.90 2rei n MET 752 N -3.64 0.26 -0.70 0.28 2.81 -0.51 -4.91 117.12 110.70 2rei n MET 752 Ca -0.01 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 2rei n MET 752 Cb 0.45 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.46 2rei n MET 752 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2rei n GLY 753 N 1.34 0.58 3.65 3.03 0.00 -0.53 -0.60 105.19 112.67 2rei n GLY 753 Ca 0.11 -0.75 -0.37 0.00 0.00 0.00 0.00 46.02 45.02 2rei n GLY 753 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2rei s TYR 754 N -2.00 3.31 -0.23 1.61 5.04 -0.33 -4.90 117.35 119.84 2rei s TYR 754 Ca 0.00 0.22 -0.09 0.00 -2.44 0.00 0.00 57.07 54.75 2rei s TYR 754 Cb 0.00 -2.28 -0.04 0.00 0.35 0.00 0.00 41.96 39.99 2rei s TYR 754 CO 0.00 0.04 0.12 0.08 -1.34 0.00 0.00 175.55 174.46 2rei s VAL 755 N 1.12 5.02 -0.03 3.14 1.01 -1.26 -3.96 120.40 125.45 2rei s VAL 755 Ca 0.07 0.06 -0.22 0.00 0.00 0.00 0.00 61.98 61.90 2rei s VAL 755 Cb -0.14 -3.33 -0.26 0.00 0.00 0.00 0.00 36.38 32.66 2rei s VAL 755 CO 0.05 0.36 1.01 -0.74 0.00 0.00 0.00 175.10 175.78 2rei h HIS 756 N 7.56 0.46 0.00 5.22 2.76 -1.97 -3.47 115.15 125.71 2rei h HIS 756 Ca -0.37 -0.28 0.00 0.00 -2.20 0.00 0.00 60.37 57.52 2rei h HIS 756 Cb 1.17 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 30.09 2rei h HIS 756 CO 0.66 1.12 0.00 0.54 -1.30 0.00 0.00 177.93 178.95 2rei n ARG 757 N -4.29 0.00 -0.42 5.26 1.74 -1.26 -4.73 116.66 112.95 2rei n ARG 757 Ca -0.11 0.00 0.02 0.00 -0.77 0.00 0.00 57.85 56.99 2rei n ARG 757 Cb 0.65 -1.47 0.03 0.00 -1.02 0.00 0.00 32.46 30.65 2rei n ARG 757 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2rei n ASP 758 N 0.00 0.54 -4.68 0.55 10.43 -1.26 -5.01 116.55 117.12 2rei n ASP 758 Ca 0.00 -2.25 -0.42 0.00 2.57 0.00 0.00 54.79 54.69 2rei n ASP 758 Cb 0.00 -0.25 -0.03 0.00 1.84 0.00 0.00 41.12 42.68 2rei n ASP 758 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 2rei s LEU 759 N -0.65 4.34 0.02 0.64 2.96 -1.26 -4.84 118.68 119.89 2rei s LEU 759 Ca 0.08 2.29 -0.28 0.00 -0.22 0.00 0.00 54.13 56.01 2rei s LEU 759 Cb 0.07 -3.56 0.08 0.00 0.50 0.00 0.00 46.19 43.29 2rei s LEU 759 CO 0.00 -0.84 0.73 0.00 -1.32 0.00 0.00 176.35 174.92 2rei s ALA 760 N 2.89 -1.74 0.51 5.97 0.00 -1.26 -4.72 121.76 123.40 2rei s ALA 760 Ca 0.70 0.99 0.16 0.00 0.00 0.00 0.00 51.96 53.82 2rei s ALA 760 Cb -0.35 0.31 1.24 0.00 0.00 0.00 0.00 23.12 24.32 2rei s ALA 760 CO 0.29 -0.57 2.13 0.00 0.00 0.00 0.00 175.76 177.61 2rei h ALA 761 N 2.39 1.94 0.00 0.00 0.00 -1.93 0.16 119.26 121.83 2rei h ALA 761 Ca -0.28 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 2rei h ALA 761 Cb 1.22 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 2rei h ALA 761 CO 0.36 0.04 -0.02 0.07 0.00 0.00 0.00 179.25 179.70 2rei h ARG 762 N 0.00 0.00 -0.71 0.00 0.11 -1.94 -2.45 114.38 109.40 2rei h ARG 762 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2rei h ARG 762 Cb 0.05 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.13 2rei h ARG 762 CO 0.00 0.02 0.00 0.09 0.10 0.00 0.00 179.97 180.18 2rei n ASN 763 N -3.21 4.14 -4.57 0.08 3.02 0.04 -4.69 115.26 110.08 2rei n ASN 763 Ca -0.02 -2.11 -0.34 0.00 -0.03 0.00 0.00 54.58 52.08 2rei n ASN 763 Cb 0.18 -0.51 -0.11 0.00 -0.61 0.00 0.00 39.78 38.73 2rei n ASN 763 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2rei s ILE 764 N -1.21 4.31 0.16 2.41 -1.09 -0.93 -1.28 121.20 123.56 2rei s ILE 764 Ca 0.49 -0.21 0.06 0.00 -2.23 0.00 0.00 60.65 58.76 2rei s ILE 764 Cb 0.27 -2.91 -0.04 0.00 -1.58 0.00 0.00 42.46 38.20 2rei s ILE 764 CO 0.31 0.49 0.06 -0.76 -1.23 0.00 0.00 174.94 173.81 2rei s LEU 765 N 0.30 3.56 -0.09 2.97 1.43 -0.14 -0.52 118.68 126.19 2rei s LEU 765 Ca -0.00 -0.24 0.02 0.00 -1.03 0.00 0.00 54.13 52.88 2rei s LEU 765 Cb -0.13 -2.20 0.01 0.00 0.03 0.00 0.00 46.19 43.90 2rei s LEU 765 CO 0.02 0.09 -0.16 -0.69 0.23 0.00 0.00 176.35 175.84 2rei s VAL 766 N -1.68 1.46 0.50 -1.59 1.01 -0.06 -0.73 120.40 119.31 2rei s VAL 766 Ca 0.29 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 61.61 2rei s VAL 766 Cb -0.10 -1.32 0.10 0.00 0.00 0.00 0.00 36.38 35.07 2rei s VAL 766 CO 0.21 0.43 0.69 -0.46 0.00 0.00 0.00 175.10 175.96 2rei n ASN 767 N 3.95 0.84 0.27 3.32 0.23 -0.71 -0.79 115.26 122.38 2rei n ASN 767 Ca -0.20 -1.73 0.18 0.00 -0.53 0.00 0.00 54.58 52.30 2rei n ASN 767 Cb 0.52 -0.45 0.79 0.00 -2.08 0.00 0.00 39.78 38.55 2rei n ASN 767 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 2rei h SER 768 N -0.46 0.00 -0.44 0.53 4.64 -1.91 -0.52 113.55 115.40 2rei h SER 768 Ca -0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 2rei h SER 768 Cb 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 2rei h SER 768 CO 0.24 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.79 2rei n ASN 769 N -2.96 2.69 -0.67 4.97 5.03 -1.26 -4.93 115.26 118.12 2rei n ASN 769 Ca -0.00 -1.95 -0.09 0.00 0.87 0.00 0.00 54.58 53.42 2rei n ASN 769 Cb 0.23 -0.29 -0.04 0.00 -1.02 0.00 0.00 39.78 38.67 2rei n ASN 769 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 2rei n LEU 770 N 0.97 -0.55 -4.72 3.41 4.77 -0.20 -4.99 117.00 115.68 2rei n LEU 770 Ca 0.17 0.22 -0.42 0.00 -0.03 0.00 0.00 56.01 55.96 2rei n LEU 770 Cb 0.45 -1.68 -0.03 0.00 -2.33 0.00 0.00 43.42 39.82 2rei n LEU 770 CO 0.13 -0.55 0.82 -0.69 -1.33 0.00 0.00 177.39 175.77 2rei s VAL 771 N -2.23 4.10 -0.18 4.08 1.01 -1.26 -4.80 120.40 121.12 2rei s VAL 771 Ca 0.00 1.60 -0.09 0.00 0.00 0.00 0.00 61.98 63.49 2rei s VAL 771 Cb 0.00 -4.03 -0.05 0.00 0.00 0.00 0.00 36.38 32.31 2rei s VAL 771 CO 0.00 0.18 0.13 0.00 0.00 0.00 0.00 175.10 175.40 2rei s LYS 773 N 0.02 0.67 0.17 0.00 1.02 0.09 -4.36 119.74 117.37 2rei s LYS 773 Ca 0.09 -0.32 -0.30 0.00 0.02 0.00 0.00 55.97 55.47 2rei s LYS 773 Cb -0.11 -0.65 -0.08 0.00 -0.52 0.00 0.00 37.83 36.47 2rei s LYS 773 CO -0.00 0.18 1.29 0.08 -0.92 0.00 0.00 175.35 175.97 2rei s VAL 774 N -0.23 3.37 0.00 3.17 1.01 0.17 -0.97 120.40 126.93 2rei s VAL 774 Ca 0.03 1.10 0.00 0.00 0.00 0.00 0.00 61.98 63.11 2rei s VAL 774 Cb -0.03 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.64 2rei s VAL 774 CO -0.00 0.15 0.00 -1.54 0.00 0.00 0.00 175.10 173.71 2rei n SER 775 N 2.88 0.73 -2.58 3.32 3.41 -0.41 -1.70 113.62 119.28 2rei n SER 775 Ca 0.07 -0.70 -0.06 0.00 -0.26 0.00 0.00 58.87 57.91 2rei n SER 775 Cb 0.43 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.39 2rei n SER 775 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2rei n ASP 776 N -1.59 -6.80 -0.87 4.04 4.64 -1.26 -4.86 116.55 109.84 2rei n ASP 776 Ca 0.00 0.49 0.07 0.00 -1.38 0.00 0.00 54.79 53.97 2rei n ASP 776 Cb 0.00 -4.54 0.23 0.00 -1.04 0.00 0.00 41.12 35.77 2rei n ASP 776 CO 0.00 0.00 0.00 0.49 -0.82 0.00 0.00 177.20 176.87 2rei n PHE 777 N -0.27 0.82 -1.38 -0.67 3.72 -1.26 -4.97 117.46 113.45 2rei n PHE 777 Ca 0.09 -0.70 -0.30 0.00 -0.05 0.00 0.00 57.45 56.49 2rei n PHE 777 Cb 0.34 -0.20 0.23 0.00 -0.94 0.00 0.00 39.48 38.91 2rei n PHE 777 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 2rei s GLY 778 N -1.45 1.66 -0.25 1.37 0.00 -1.26 -4.38 107.32 103.01 2rei s GLY 778 Ca 0.36 -1.08 0.02 0.00 0.00 0.00 0.00 44.72 44.02 2rei s GLY 778 CO 0.13 -0.21 -0.08 -2.27 0.00 0.00 0.00 173.10 170.66 2rei s LEU 779 N -6.60 3.03 0.00 0.66 0.20 -1.26 -5.00 118.68 109.71 2rei s LEU 779 Ca 0.72 -1.29 0.00 0.00 0.69 0.00 0.00 54.13 54.25 2rei s LEU 779 Cb -0.07 -1.37 0.00 0.00 -0.43 0.00 0.00 46.19 44.32 2rei s LEU 779 CO 0.55 -0.21 0.00 -2.65 -0.29 0.00 0.00 176.35 173.75 2rei n PRO 799 N 4.55 0.00 -0.15 0.98 -0.02 -1.26 -5.19 135.00 133.91 2rei n PRO 799 Ca -0.13 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.32 2rei n PRO 799 Cb 0.43 0.00 0.03 0.00 -0.02 0.00 0.00 33.50 33.94 2rei n PRO 799 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2rei h VAL 800 N 0.00 0.50 0.00 -1.45 2.07 -1.99 -1.64 116.25 113.74 2rei h VAL 800 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2rei h VAL 800 Cb 0.00 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 2rei h VAL 800 CO 0.00 0.00 0.00 -2.11 0.02 0.00 0.00 177.57 175.48 2rei n ARG 801 N -5.36 0.10 0.00 1.57 1.85 -1.26 -1.50 116.66 112.06 2rei n ARG 801 Ca 0.04 0.17 0.11 0.00 -1.00 0.00 0.00 57.85 57.17 2rei n ARG 801 Cb 0.26 -1.50 0.03 0.00 -1.05 0.00 0.00 32.46 30.20 2rei n ARG 801 CO 0.00 0.00 0.00 0.91 -0.01 0.00 0.00 177.63 178.53 2rei n TRP 802 N -1.41 0.00 -4.27 2.89 8.01 -0.63 -5.00 117.44 117.03 2rei n TRP 802 Ca 0.06 0.00 -0.35 0.00 -1.31 0.00 0.00 57.50 55.90 2rei n TRP 802 Cb 0.18 0.00 -0.09 0.00 -2.01 0.00 0.00 31.31 29.39 2rei n TRP 802 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.69 177.67 2rei s THR 803 N -2.23 4.55 0.53 -0.99 2.01 -0.56 -3.67 115.64 115.28 2rei s THR 803 Ca 0.21 -0.15 -0.21 0.00 0.31 0.00 0.00 61.69 61.84 2rei s THR 803 Cb 0.18 -2.93 -0.05 0.00 0.01 0.00 0.00 72.50 69.71 2rei s THR 803 CO 0.46 0.60 1.27 0.00 -0.69 0.00 0.00 174.62 176.26 2rei s ALA 804 N -0.84 2.79 0.26 7.40 0.00 -1.26 -4.79 121.76 125.32 2rei s ALA 804 Ca 0.13 1.16 -0.02 0.00 0.00 0.00 0.00 51.96 53.23 2rei s ALA 804 Cb -0.12 -3.49 0.49 0.00 0.00 0.00 0.00 23.12 20.00 2rei s ALA 804 CO 0.03 -1.14 1.80 -1.35 0.00 0.00 0.00 175.76 175.09 2rei h PRO 805 N 1.48 0.76 0.00 0.00 0.11 -1.95 -0.53 132.00 131.87 2rei h PRO 805 Ca -0.50 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.53 2rei h PRO 805 Cb 1.29 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 2rei h PRO 805 CO 0.57 0.50 -0.16 1.05 -0.21 0.00 0.00 178.00 179.75 2rei h GLU 806 N 0.78 0.00 0.18 1.05 9.09 -1.91 -0.42 114.58 123.36 2rei h GLU 806 Ca 0.45 0.00 -0.31 0.00 0.05 0.00 0.00 59.36 59.55 2rei h GLU 806 Cb 0.50 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.62 2rei h GLU 806 CO -0.29 0.16 -1.42 0.00 0.05 0.00 0.00 179.01 177.51 2rei h ALA 807 N 1.84 0.02 -0.22 1.06 0.00 -1.26 -1.48 119.26 119.21 2rei h ALA 807 Ca -0.00 -0.93 -0.02 0.00 0.00 0.00 0.00 54.91 53.96 2rei h ALA 807 Cb 0.57 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2rei h ALA 807 CO 0.02 0.89 0.05 0.82 0.00 0.00 0.00 179.25 181.03 2rei h ILE 808 N 0.11 1.21 0.17 0.00 2.04 -0.86 -2.13 117.51 118.05 2rei h ILE 808 Ca -0.22 -0.69 -0.33 0.00 1.00 0.00 0.00 64.86 64.62 2rei h ILE 808 Cb 2.07 1.25 0.01 0.00 -0.74 0.00 0.00 36.82 39.41 2rei h ILE 808 CO 0.23 0.22 -1.62 1.56 0.00 0.00 0.00 178.15 178.53 2rei h GLN 809 N 0.18 0.37 -0.01 2.37 1.08 -1.19 -3.39 115.11 114.52 2rei h GLN 809 Ca 0.07 -0.63 0.00 0.00 -1.45 0.00 0.00 58.65 56.64 2rei h GLN 809 Cb 0.29 0.23 0.00 0.00 -0.05 0.00 0.00 27.48 27.95 2rei h GLN 809 CO 0.00 1.30 0.00 0.66 -0.95 0.00 0.00 178.83 179.84 2rei n TYR 810 N -3.70 0.01 -2.76 2.96 4.02 -0.59 -4.99 117.16 112.11 2rei n TYR 810 Ca -0.24 -0.37 -0.20 0.00 -0.01 0.00 0.00 57.90 57.08 2rei n TYR 810 Cb 1.03 -0.04 0.01 0.00 -0.02 0.00 0.00 39.34 40.32 2rei n TYR 810 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2rei n ARG 811 N -0.35 -3.11 -2.96 -0.72 1.74 -0.80 -4.91 116.66 105.55 2rei n ARG 811 Ca 0.00 0.80 -0.44 0.00 -0.77 0.00 0.00 57.85 57.44 2rei n ARG 811 Cb 0.19 -5.52 -0.01 0.00 -1.02 0.00 0.00 32.46 26.10 2rei n ARG 811 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2rei s LYS 812 N -5.40 3.87 -0.20 5.56 -0.14 -0.99 -4.94 119.74 117.49 2rei s LYS 812 Ca 0.16 -2.25 -0.17 0.00 -1.36 0.00 0.00 55.97 52.35 2rei s LYS 812 Cb -0.08 -4.97 -0.04 0.00 -1.68 0.00 0.00 37.83 31.07 2rei s LYS 812 CO 0.20 -1.74 0.45 -0.06 -0.76 0.00 0.00 175.35 173.44 2rei s PHE 813 N 1.92 3.38 0.31 3.18 0.08 -1.26 -3.90 117.98 121.69 2rei s PHE 813 Ca 0.37 0.69 -0.01 0.00 0.12 0.00 0.00 56.93 58.10 2rei s PHE 813 Cb -0.04 -2.59 -0.01 0.00 -0.57 0.00 0.00 43.02 39.81 2rei s PHE 813 CO -0.05 -0.05 0.38 0.95 -0.10 0.00 0.00 175.22 176.35 2rei s THR 814 N 1.45 0.00 0.43 0.64 -4.23 -1.26 -4.99 115.64 107.68 2rei s THR 814 Ca 0.21 -1.72 0.32 0.00 -1.18 0.00 0.00 61.69 59.32 2rei s THR 814 Cb -0.15 -2.53 0.35 0.00 1.34 0.00 0.00 72.50 71.50 2rei s THR 814 CO 0.09 0.00 2.14 0.28 -0.54 0.00 0.00 174.62 176.59 2rei h SER 815 N 2.21 0.00 0.39 3.99 0.02 -1.96 -0.86 113.55 117.33 2rei h SER 815 Ca -0.28 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.51 2rei h SER 815 Cb 1.24 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.77 2rei h SER 815 CO 0.40 0.06 -0.66 0.00 -1.14 0.00 0.00 176.83 175.50 2rei h ALA 816 N 1.94 0.77 -0.03 3.77 0.00 -1.95 -1.10 119.26 122.66 2rei h ALA 816 Ca -0.00 -0.58 -0.15 0.00 0.00 0.00 0.00 54.91 54.18 2rei h ALA 816 Cb 0.26 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2rei h ALA 816 CO 0.01 0.76 -0.68 0.66 0.00 0.00 0.00 179.25 180.00 2rei h SER 817 N 0.18 0.17 -0.21 0.00 4.64 -1.65 -2.77 113.55 113.91 2rei h SER 817 Ca -0.01 -0.11 -0.01 0.00 -0.47 0.00 0.00 61.79 61.19 2rei h SER 817 Cb 1.19 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.21 2rei h SER 817 CO 0.10 0.80 0.11 0.44 -0.87 0.00 0.00 176.83 177.42 2rei h ASP 818 N 0.10 0.30 -0.47 4.97 3.32 -0.87 -2.24 116.42 121.53 2rei h ASP 818 Ca -0.01 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 56.92 2rei h ASP 818 Cb 1.22 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.67 2rei h ASP 818 CO 0.10 0.26 -0.05 0.58 -1.72 0.00 0.00 179.24 178.41 2rei h VAL 819 N 0.34 1.26 -0.18 -1.35 2.07 -0.94 0.16 116.25 117.61 2rei h VAL 819 Ca 0.09 -1.16 0.04 0.00 0.82 0.00 0.00 66.70 66.49 2rei h VAL 819 Cb 0.05 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 2rei h VAL 819 CO -0.01 0.41 -0.05 -0.25 0.02 0.00 0.00 177.57 177.68 2rei h TRP 820 N 0.84 -0.11 -0.80 1.57 2.91 -1.19 -0.99 115.95 118.17 2rei h TRP 820 Ca 0.15 0.02 0.04 0.00 1.13 0.00 0.00 58.89 60.22 2rei h TRP 820 Cb 0.57 0.08 -0.05 0.00 -0.51 0.00 0.00 29.16 29.25 2rei h TRP 820 CO 0.03 -0.09 0.51 0.77 -1.03 0.00 0.00 178.44 178.63 2rei h SER 821 N -0.01 0.82 -0.92 2.65 0.02 -1.00 -1.20 113.55 113.91 2rei h SER 821 Ca 0.09 0.00 0.07 0.00 -0.84 0.00 0.00 61.79 61.11 2rei h SER 821 Cb 0.15 -0.17 -0.07 0.00 0.14 0.00 0.00 62.40 62.45 2rei h SER 821 CO -0.20 0.56 0.58 0.22 -1.14 0.00 0.00 176.83 176.85 2rei h TYR 822 N 0.97 1.07 -0.56 3.45 3.20 -0.11 0.24 116.97 125.23 2rei h TYR 822 Ca 0.33 0.03 0.05 0.00 3.14 0.00 0.00 58.73 62.28 2rei h TYR 822 Cb 0.06 -0.35 -0.05 0.00 1.54 0.00 0.00 36.73 37.93 2rei h TYR 822 CO -0.03 0.54 0.30 0.78 -1.64 0.00 0.00 178.16 178.10 2rei h GLY 823 N 1.04 0.80 1.00 1.82 0.00 0.00 0.14 103.07 107.87 2rei h GLY 823 Ca 0.41 -0.21 -0.00 0.00 0.00 0.00 0.00 47.33 47.53 2rei h GLY 823 CO -0.18 0.13 0.37 -2.22 0.00 0.00 0.00 176.54 174.64 2rei h ILE 824 N 0.57 1.17 -0.78 2.60 1.08 -0.67 -1.87 117.51 119.61 2rei h ILE 824 Ca 0.25 -0.36 0.05 0.00 -0.39 0.00 0.00 64.86 64.41 2rei h ILE 824 Cb 0.14 0.34 -0.06 0.00 -3.07 0.00 0.00 36.82 34.17 2rei h ILE 824 CO -0.16 0.17 0.47 0.58 -0.69 0.00 0.00 178.15 178.52 2rei h VAL 825 N 0.80 1.03 -0.71 1.67 2.07 -0.20 0.15 116.25 121.07 2rei h VAL 825 Ca 0.21 -0.30 0.07 0.00 0.82 0.00 0.00 66.70 67.51 2rei h VAL 825 Cb -0.04 0.08 -0.06 0.00 -1.52 0.00 0.00 31.29 29.75 2rei h VAL 825 CO -0.04 0.16 0.39 0.24 0.02 0.00 0.00 177.57 178.34 2rei h MET 826 N 0.87 0.68 -0.44 1.57 2.86 -0.19 0.70 114.93 120.99 2rei h MET 826 Ca 0.34 -0.04 -0.14 0.00 -2.06 0.00 0.00 59.70 57.80 2rei h MET 826 Cb 0.15 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 2rei h MET 826 CO -0.16 0.45 -0.27 2.35 1.06 0.00 0.00 176.91 180.33 2rei h TRP 827 N 0.70 1.09 -0.73 -0.22 7.01 -0.49 -0.58 115.95 122.75 2rei h TRP 827 Ca 0.33 -0.28 -0.00 0.00 2.11 0.00 0.00 58.89 61.04 2rei h TRP 827 Cb 0.24 -0.25 -0.04 0.00 -2.10 0.00 0.00 29.16 27.02 2rei h TRP 827 CO -0.08 1.10 0.45 0.93 -2.79 0.00 0.00 178.44 178.05 2rei h GLU 828 N 0.80 0.97 -0.03 2.65 5.08 -0.12 -1.17 114.58 122.77 2rei h GLU 828 Ca 0.09 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2rei h GLU 828 Cb 0.85 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 2rei h GLU 828 CO 0.07 0.68 0.00 0.28 -1.00 0.00 0.00 179.01 179.04 2rei h VAL 829 N 0.99 1.23 0.00 3.13 2.07 -0.57 0.27 116.25 123.36 2rei h VAL 829 Ca 0.26 -0.67 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 2rei h VAL 829 Cb -0.06 1.63 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 2rei h VAL 829 CO -0.05 0.18 -0.08 0.24 0.02 0.00 0.00 177.57 177.88 2rei h MET 830 N -0.22 0.00 -0.12 1.57 2.86 -1.00 -1.38 114.93 116.65 2rei h MET 830 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2rei h MET 830 Cb 0.29 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.95 2rei h MET 830 CO 0.00 0.08 0.00 -1.13 1.06 0.00 0.00 176.91 176.92 2rei n SER 831 N -3.27 1.89 -3.70 1.22 3.41 -0.45 -4.70 113.62 108.02 2rei n SER 831 Ca -0.00 -1.68 -0.24 0.00 -0.26 0.00 0.00 58.87 56.68 2rei n SER 831 Cb 0.29 -0.07 0.05 0.00 -0.26 0.00 0.00 64.21 64.22 2rei n SER 831 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2rei n TYR 832 N 0.47 -2.30 -1.15 7.33 4.01 -0.52 -3.52 117.16 121.48 2rei n TYR 832 Ca 0.17 0.92 0.00 0.00 -0.16 0.00 0.00 57.90 58.83 2rei n TYR 832 Cb 0.39 -4.52 0.00 0.00 -0.31 0.00 0.00 39.34 34.90 2rei n TYR 832 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2rei n GLY 833 N -1.64 0.77 3.76 2.72 0.00 0.91 -3.17 105.19 108.55 2rei n GLY 833 Ca -0.12 -0.67 -0.35 0.00 0.00 0.00 0.00 46.02 44.89 2rei n GLY 833 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2rei s GLU 834 N -2.51 2.99 -0.02 1.61 2.56 -1.23 -4.88 118.70 117.22 2rei s GLU 834 Ca 0.00 1.60 -0.30 0.00 0.00 0.00 0.00 54.97 56.27 2rei s GLU 834 Cb 0.00 -1.96 -0.05 0.00 2.00 0.00 0.00 34.13 34.13 2rei s GLU 834 CO 0.00 -1.14 1.33 0.50 -0.56 0.00 0.00 175.26 175.38 2rei s ARG 835 N -3.60 4.31 0.14 4.30 3.52 -1.26 -4.76 118.95 121.60 2rei s ARG 835 Ca 0.72 1.85 -0.34 0.00 -0.13 0.00 0.00 55.73 57.83 2rei s ARG 835 Cb -0.25 -3.57 -0.14 0.00 -1.56 0.00 0.00 34.95 29.43 2rei s ARG 835 CO 0.34 -0.53 1.54 -2.30 -0.81 0.00 0.00 175.30 173.54 2rei n PRO 836 N 5.34 1.97 -1.22 5.12 -0.02 -1.26 -0.77 135.00 144.17 2rei n PRO 836 Ca 0.12 0.71 -0.07 0.00 -2.02 0.00 0.00 63.50 62.24 2rei n PRO 836 Cb 0.45 -2.46 -0.03 0.00 -0.02 0.00 0.00 33.50 31.43 2rei n PRO 836 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2rei n TYR 837 N 3.31 0.00 0.00 6.00 4.01 -1.26 -4.84 117.16 124.38 2rei n TYR 837 Ca 0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.91 2rei n TYR 837 Cb 0.27 -1.97 0.00 0.00 -0.31 0.00 0.00 39.34 37.33 2rei n TYR 837 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 2rei n TRP 838 N -2.46 0.00 0.40 -0.72 8.01 0.05 -1.39 117.44 121.34 2rei n TRP 838 Ca -0.07 0.00 0.08 0.00 -1.31 0.00 0.00 57.50 56.19 2rei n TRP 838 Cb 0.41 0.00 0.22 0.00 -2.01 0.00 0.00 31.31 29.92 2rei n TRP 838 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 2rei n ASP 839 N 4.20 2.71 -4.76 -0.99 8.00 -1.26 -4.92 116.55 119.52 2rei n ASP 839 Ca 0.00 -2.04 -0.40 0.00 0.71 0.00 0.00 54.79 53.06 2rei n ASP 839 Cb 0.00 -0.35 0.02 0.00 -0.02 0.00 0.00 41.12 40.77 2rei n ASP 839 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2rei s MET 840 N -1.41 3.66 0.70 -1.24 -1.94 -0.48 -4.98 119.30 113.61 2rei s MET 840 Ca 0.33 2.39 -0.13 0.00 -1.71 0.00 0.00 55.69 56.56 2rei s MET 840 Cb 0.18 -2.63 0.02 0.00 2.01 0.00 0.00 34.83 34.40 2rei s MET 840 CO 0.21 -0.82 1.09 -1.54 -0.01 0.00 0.00 175.02 173.95 2rei s SER 841 N -0.56 4.95 0.22 3.03 1.04 -1.26 -4.82 113.70 116.30 2rei s SER 841 Ca 0.61 1.88 -0.07 0.00 0.48 0.00 0.00 55.95 58.85 2rei s SER 841 Cb -0.43 -2.53 0.33 0.00 0.10 0.00 0.00 66.02 63.49 2rei s SER 841 CO 0.55 -1.74 1.76 0.78 0.98 0.00 0.00 173.24 175.57 2rei h ASN 842 N -0.47 0.33 -0.68 7.02 2.35 -1.99 0.30 115.58 122.44 2rei h ASN 842 Ca -0.45 0.08 -0.05 0.00 -0.55 0.00 0.00 56.30 55.33 2rei h ASN 842 Cb 1.23 0.03 -0.03 0.00 0.05 0.00 0.00 38.32 39.60 2rei h ASN 842 CO 0.53 0.18 0.25 1.56 -1.65 0.00 0.00 177.43 178.30 2rei h GLN 843 N 0.49 1.05 -0.12 0.81 1.08 -2.00 -1.44 115.11 114.98 2rei h GLN 843 Ca 0.34 -0.20 -0.12 0.00 -1.45 0.00 0.00 58.65 57.23 2rei h GLN 843 Cb 0.42 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.67 2rei h GLN 843 CO -0.31 0.88 -0.45 -0.44 -0.95 0.00 0.00 178.83 177.57 2rei h ASP 844 N 1.02 0.31 -0.15 1.46 3.32 -1.70 -1.72 116.42 118.96 2rei h ASP 844 Ca 0.23 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 2rei h ASP 844 Cb 0.24 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 2rei h ASP 844 CO -0.01 0.72 0.06 0.58 -1.72 0.00 0.00 179.24 178.87 2rei h VAL 845 N 0.24 1.15 -0.26 -1.35 2.07 -0.52 -0.57 116.25 117.02 2rei h VAL 845 Ca 0.02 -0.44 0.03 0.00 0.82 0.00 0.00 66.70 67.13 2rei h VAL 845 Cb 0.89 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.79 2rei h VAL 845 CO 0.07 0.14 0.07 0.40 0.02 0.00 0.00 177.57 178.27 2rei h ILE 846 N 0.10 0.91 -0.55 4.57 2.04 -1.03 -0.45 117.51 123.10 2rei h ILE 846 Ca 0.05 -0.06 -0.09 0.00 1.00 0.00 0.00 64.86 65.76 2rei h ILE 846 Cb 0.16 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 2rei h ILE 846 CO -0.00 0.03 -0.00 0.11 0.00 0.00 0.00 178.15 178.29 2rei h LYS 847 N 0.18 0.95 -0.24 2.37 1.57 -1.24 -1.94 116.57 118.23 2rei h LYS 847 Ca 0.11 -0.29 -0.02 0.00 -1.87 0.00 0.00 60.65 58.59 2rei h LYS 847 Cb 0.10 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2rei h LYS 847 CO -0.13 0.94 0.08 0.00 -0.57 0.00 0.00 179.45 179.77 2rei h ALA 848 N 1.11 0.31 -0.98 3.86 0.00 -0.62 -2.06 119.26 120.87 2rei h ALA 848 Ca 0.16 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.95 2rei h ALA 848 Cb 0.52 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 2rei h ALA 848 CO 0.03 -0.07 0.65 0.82 0.00 0.00 0.00 179.25 180.68 2rei h ILE 849 N 0.22 1.23 -0.20 0.00 2.04 -0.95 -1.24 117.51 118.61 2rei h ILE 849 Ca 0.08 -0.45 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 2rei h ILE 849 Cb 0.23 -0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.10 2rei h ILE 849 CO -0.00 0.24 0.07 -0.33 0.00 0.00 0.00 178.15 178.13 2rei h GLU 850 N 1.31 0.28 -0.01 2.37 5.08 -0.98 -1.46 114.58 121.17 2rei h GLU 850 Ca 0.37 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 2rei h GLU 850 Cb -0.11 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.08 2rei h GLU 850 CO -0.09 0.24 -0.11 -0.85 -1.00 0.00 0.00 179.01 177.20 2rei n GLU 851 N -4.44 0.84 0.00 2.33 0.28 -0.75 -4.91 120.64 113.99 2rei n GLU 851 Ca -0.00 -0.34 0.00 0.00 -0.16 0.00 0.00 57.16 56.66 2rei n GLU 851 Cb 0.12 -1.49 0.00 0.00 1.43 0.00 0.00 31.44 31.50 2rei n GLU 851 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2rei n GLY 852 N 1.26 0.62 3.76 -1.84 0.00 -0.55 -5.07 105.19 103.37 2rei n GLY 852 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 2rei n GLY 852 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2rei s TYR 853 N -2.00 2.67 0.04 1.61 6.14 -0.54 -4.99 117.35 120.28 2rei s TYR 853 Ca 0.00 0.87 0.02 0.00 0.64 0.00 0.00 57.07 58.60 2rei s TYR 853 Cb 0.00 -4.08 -0.02 0.00 0.42 0.00 0.00 41.96 38.28 2rei s TYR 853 CO 0.00 -3.50 -0.07 1.03 0.64 0.00 0.00 175.55 173.64 2rei s ARG 854 N -1.00 0.50 0.55 4.97 1.81 -1.26 -4.27 118.95 120.26 2rei s ARG 854 Ca 0.60 -0.72 -0.21 0.00 -1.72 0.00 0.00 55.73 53.69 2rei s ARG 854 Cb -0.48 -0.26 -0.05 0.00 -0.45 0.00 0.00 34.95 33.71 2rei s ARG 854 CO 0.53 0.04 1.34 -0.51 -0.68 0.00 0.00 175.30 176.02 2rei s LEU 855 N -1.49 3.82 0.71 2.53 1.43 -1.26 -4.99 118.68 119.43 2rei s LEU 855 Ca -0.10 2.72 -0.11 0.00 -1.03 0.00 0.00 54.13 55.60 2rei s LEU 855 Cb -0.10 -4.32 0.02 0.00 0.03 0.00 0.00 46.19 41.83 2rei s LEU 855 CO 0.00 -1.59 1.10 -2.16 0.23 0.00 0.00 176.35 173.94 2rei s PRO 856 N -2.96 2.73 0.12 1.29 0.04 -1.26 -5.00 135.00 129.97 2rei s PRO 856 Ca 0.72 0.38 -0.31 0.00 0.04 0.00 0.00 61.00 61.83 2rei s PRO 856 Cb -0.39 -2.03 -0.10 0.00 0.04 0.00 0.00 34.50 32.02 2rei s PRO 856 CO 0.46 -1.10 1.76 0.00 0.04 0.00 0.00 177.00 178.16 2rei s ALA 857 N -3.37 3.77 1.07 8.56 0.00 -1.26 -4.99 121.76 125.54 2rei s ALA 857 Ca 0.58 1.41 -0.12 0.00 0.00 0.00 0.00 51.96 53.83 2rei s ALA 857 Cb -0.11 -3.73 0.23 0.00 0.00 0.00 0.00 23.12 19.51 2rei s ALA 857 CO 0.51 -1.14 1.06 -2.14 0.00 0.00 0.00 175.76 174.06 2rei s PRO 858 N 2.44 -0.21 0.13 0.00 0.02 -1.26 -4.86 135.00 131.25 2rei s PRO 858 Ca 0.78 0.95 -0.35 0.00 0.02 0.00 0.00 61.00 62.40 2rei s PRO 858 Cb -0.45 -1.63 -0.16 0.00 0.02 0.00 0.00 34.50 32.29 2rei s PRO 858 CO 0.35 -3.28 1.38 -0.12 -0.33 0.00 0.00 177.00 175.00 2rei n MET 859 N -4.62 1.46 -0.80 5.54 0.00 -1.26 -1.41 117.12 116.03 2rei n MET 859 Ca 0.05 0.53 0.00 0.00 -0.00 0.00 0.00 57.70 58.28 2rei n MET 859 Cb 0.54 -2.19 0.00 0.00 0.00 0.00 0.00 33.22 31.58 2rei n MET 859 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 2rei n ASP 860 N 2.67 -0.34 -4.65 6.12 8.00 -1.26 -4.91 116.55 122.19 2rei n ASP 860 Ca 0.17 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.24 2rei n ASP 860 Cb 0.23 -1.12 -0.02 0.00 -0.02 0.00 0.00 41.12 40.19 2rei n ASP 860 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2rei s PRO 862 N 3.69 2.40 0.30 0.00 0.02 -1.26 -4.80 135.00 135.34 2rei s PRO 862 Ca 0.51 1.93 -0.02 0.00 0.02 0.00 0.00 61.00 63.44 2rei s PRO 862 Cb -0.16 -1.84 0.44 0.00 0.02 0.00 0.00 34.50 32.95 2rei s PRO 862 CO 0.16 -1.68 1.94 0.00 -0.33 0.00 0.00 177.00 177.09 2rei h ALA 863 N 0.23 1.37 -0.52 -1.55 0.00 -1.77 -2.16 119.26 114.86 2rei h ALA 863 Ca -0.50 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.26 2rei h ALA 863 Cb 1.32 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 2rei h ALA 863 CO 0.52 0.54 0.04 0.78 0.00 0.00 0.00 179.25 181.13 2rei h GLY 864 N 1.07 0.91 0.97 0.00 0.00 -0.74 0.14 103.07 105.42 2rei h GLY 864 Ca 0.27 -0.59 -0.10 0.00 0.00 0.00 0.00 47.33 46.91 2rei h GLY 864 CO -0.05 0.55 -0.18 -2.00 0.00 0.00 0.00 176.54 174.86 2rei h LEU 865 N 0.79 0.76 -1.10 3.11 6.46 -1.32 -1.80 115.31 122.21 2rei h LEU 865 Ca 0.16 -0.41 -0.06 0.00 -0.12 0.00 0.00 57.88 57.45 2rei h LEU 865 Cb 0.42 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 40.12 2rei h LEU 865 CO 0.01 1.00 -0.01 -0.74 -0.62 0.00 0.00 178.44 178.09 2rei h HIS 866 N 0.52 0.66 -0.52 1.25 2.76 -1.09 -1.93 115.15 116.80 2rei h HIS 866 Ca 0.08 -0.08 -0.02 0.00 -2.20 0.00 0.00 60.37 58.15 2rei h HIS 866 Cb 0.72 -0.19 -0.03 0.00 1.55 0.00 0.00 27.41 29.47 2rei h HIS 866 CO 0.06 0.63 0.25 0.37 -1.30 0.00 0.00 177.93 177.94 2rei h GLN 867 N 0.59 0.72 -0.65 5.26 5.75 -0.46 -0.63 115.11 125.71 2rei h GLN 867 Ca 0.12 -0.08 -0.07 0.00 -0.15 0.00 0.00 58.65 58.46 2rei h GLN 867 Cb 0.39 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 28.77 2rei h GLN 867 CO 0.01 0.56 0.11 1.25 -2.65 0.00 0.00 178.83 178.12 2rei h LEU 868 N 0.73 1.00 -0.15 -2.39 5.85 -0.58 -0.41 115.31 119.36 2rei h LEU 868 Ca 0.18 -0.23 0.03 0.00 0.84 0.00 0.00 57.88 58.70 2rei h LEU 868 Cb 0.07 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 2rei h LEU 868 CO -0.03 0.99 -0.03 0.24 -0.34 0.00 0.00 178.44 179.27 2rei h MET 869 N 0.99 0.01 -1.00 1.25 2.86 -0.69 -1.16 114.93 117.18 2rei h MET 869 Ca 0.20 -0.00 0.11 0.00 -2.06 0.00 0.00 59.70 57.95 2rei h MET 869 Cb 0.41 -0.00 -0.08 0.00 0.06 0.00 0.00 31.60 31.99 2rei h MET 869 CO 0.01 0.00 0.63 -0.07 1.06 0.00 0.00 176.91 178.55 2rei h LEU 870 N 0.01 0.93 -0.69 1.22 3.38 -0.64 -1.09 115.31 118.43 2rei h LEU 870 Ca 0.07 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 2rei h LEU 870 Cb 0.11 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 2rei h LEU 870 CO -0.15 0.51 0.14 0.44 0.09 0.00 0.00 178.44 179.48 2rei h ASP 871 N 1.01 1.06 0.23 -0.43 3.32 -0.57 -2.14 116.42 118.91 2rei h ASP 871 Ca 0.48 -0.25 -0.02 0.00 0.02 0.00 0.00 57.03 57.26 2rei h ASP 871 Cb 0.45 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.71 2rei h ASP 871 CO -0.25 1.04 -0.11 0.00 -1.72 0.00 0.00 179.24 178.20 2rei n TRP 873 N -3.91 2.40 -1.78 0.00 8.01 -0.58 -3.56 117.44 118.02 2rei n TRP 873 Ca -0.02 -1.13 -0.41 0.00 -1.31 0.00 0.00 57.50 54.62 2rei n TRP 873 Cb 0.20 -0.67 -0.01 0.00 -2.01 0.00 0.00 31.31 28.82 2rei n TRP 873 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.69 176.03 2rei s GLN 874 N -2.90 4.12 0.21 -0.99 -1.52 -1.04 -4.89 119.66 112.66 2rei s GLN 874 Ca 0.54 2.58 -0.09 0.00 -1.95 0.00 0.00 55.36 56.43 2rei s GLN 874 Cb 0.43 -3.02 0.21 0.00 -0.22 0.00 0.00 33.01 30.41 2rei s GLN 874 CO 0.14 -0.62 1.85 -0.22 -0.25 0.00 0.00 175.29 176.18 2rei h LYS 875 N 4.70 0.85 -5.78 2.91 3.11 -1.93 -3.38 116.57 117.05 2rei h LYS 875 Ca -0.47 -0.05 -0.61 0.00 -2.81 0.00 0.00 60.65 56.71 2rei h LYS 875 Cb 1.22 -0.19 -0.10 0.00 -1.00 0.00 0.00 32.23 32.16 2rei h LYS 875 CO 0.78 0.56 0.39 -1.21 -2.81 0.00 0.00 179.45 177.16 2rei s GLU 876 N -6.11 3.91 0.45 1.90 0.41 -1.26 -4.94 118.70 113.07 2rei s GLU 876 Ca -0.13 0.52 0.11 0.00 -0.41 0.00 0.00 54.97 55.06 2rei s GLU 876 Cb 0.16 -3.75 1.02 0.00 -1.78 0.00 0.00 34.13 29.78 2rei s GLU 876 CO 0.77 -0.72 2.07 0.07 -0.49 0.00 0.00 175.26 176.97 2rei h ARG 877 N 8.21 0.35 0.00 1.61 0.11 -1.97 -1.56 114.38 121.13 2rei h ARG 877 Ca -0.24 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 59.81 2rei h ARG 877 Cb 1.10 -0.08 0.00 0.00 1.11 0.00 0.00 29.97 32.10 2rei h ARG 877 CO 0.89 0.23 0.00 0.00 0.10 0.00 0.00 179.97 181.19 2rei h ALA 878 N 1.81 1.00 -0.00 0.08 0.00 -1.93 -2.50 119.26 117.72 2rei h ALA 878 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2rei h ALA 878 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2rei h ALA 878 CO -0.03 0.00 -0.33 0.39 0.00 0.00 0.00 179.25 179.29 2rei n GLU 879 N -2.48 0.12 -2.42 0.00 -0.58 -0.59 -4.90 120.64 109.79 2rei n GLU 879 Ca 0.02 -0.05 -0.35 0.00 -0.42 0.00 0.00 57.16 56.36 2rei n GLU 879 Cb 0.25 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 29.60 2rei n GLU 879 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2rei s ARG 880 N -2.92 3.63 0.70 3.49 0.52 -0.94 -4.95 118.95 118.47 2rei s ARG 880 Ca 0.14 1.48 -0.14 0.00 -0.52 0.00 0.00 55.73 56.69 2rei s ARG 880 Cb 0.18 -2.08 0.02 0.00 0.52 0.00 0.00 34.95 33.60 2rei s ARG 880 CO 0.63 -0.59 1.13 -1.25 0.02 0.00 0.00 175.30 175.23 2rei s PRO 881 N -3.22 2.52 0.57 3.54 0.04 -1.26 -5.04 135.00 132.15 2rei s PRO 881 Ca 0.69 1.44 -0.07 0.00 0.04 0.00 0.00 61.00 63.10 2rei s PRO 881 Cb -0.20 -1.91 -0.01 0.00 0.04 0.00 0.00 34.50 32.42 2rei s PRO 881 CO 0.23 -1.48 0.90 0.15 0.04 0.00 0.00 177.00 176.84 2rei s LYS 882 N -4.19 3.24 0.35 4.56 3.01 -1.26 -4.92 119.74 120.53 2rei s LYS 882 Ca 0.68 0.23 0.03 0.00 -1.01 0.00 0.00 55.97 55.90 2rei s LYS 882 Cb -0.22 -2.25 0.67 0.00 -1.01 0.00 0.00 37.83 35.02 2rei s LYS 882 CO 0.45 -0.54 1.99 0.74 0.51 0.00 0.00 175.35 178.50 2rei h PHE 883 N -0.11 0.79 -0.97 3.18 0.04 -1.93 -0.74 116.94 117.21 2rei h PHE 883 Ca -0.46 0.02 0.06 0.00 2.80 0.00 0.00 57.97 60.40 2rei h PHE 883 Cb 1.23 -0.27 -0.07 0.00 2.20 0.00 0.00 35.95 39.05 2rei h PHE 883 CO 0.54 0.47 0.62 1.49 -0.60 0.00 0.00 178.31 180.83 2rei h GLU 884 N 0.83 1.09 -0.41 1.51 4.57 -1.93 -0.38 114.58 119.86 2rei h GLU 884 Ca 0.26 -0.07 -0.14 0.00 -1.18 0.00 0.00 59.36 58.24 2rei h GLU 884 Cb 0.03 -0.25 -0.01 0.00 -0.16 0.00 0.00 28.75 28.36 2rei h GLU 884 CO -0.07 0.72 -0.28 1.96 -1.18 0.00 0.00 179.01 180.17 2rei h GLN 885 N 1.13 0.89 -0.14 1.92 4.20 -1.56 -2.51 115.11 119.03 2rei h GLN 885 Ca 0.42 -0.40 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 2rei h GLN 885 Cb 0.16 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 2rei h GLN 885 CO -0.17 1.05 0.06 0.82 -0.67 0.00 0.00 178.83 179.92 2rei h ILE 886 N 0.75 1.13 -0.51 2.54 2.04 -0.61 -0.67 117.51 122.19 2rei h ILE 886 Ca 0.09 -0.38 0.09 0.00 1.00 0.00 0.00 64.86 65.65 2rei h ILE 886 Cb 0.84 1.14 -0.07 0.00 -0.74 0.00 0.00 36.82 37.98 2rei h ILE 886 CO 0.07 0.12 0.09 0.58 0.00 0.00 0.00 178.15 179.01 2rei h VAL 887 N 0.09 0.69 -0.60 1.67 2.07 -1.03 -1.07 116.25 118.07 2rei h VAL 887 Ca 0.05 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 2rei h VAL 887 Cb 0.13 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 2rei h VAL 887 CO -0.01 0.04 0.37 1.23 0.02 0.00 0.00 177.57 179.23 2rei h GLY 888 N 0.22 0.86 0.95 2.17 0.00 -1.03 -0.42 103.07 105.82 2rei h GLY 888 Ca 0.26 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 2rei h GLY 888 CO -0.35 0.34 0.17 -2.22 0.00 0.00 0.00 176.54 174.48 2rei h ILE 889 N 0.81 1.17 -0.36 2.60 2.04 -0.58 -1.88 117.51 121.30 2rei h ILE 889 Ca 0.22 -0.47 -0.11 0.00 1.00 0.00 0.00 64.86 65.49 2rei h ILE 889 Cb -0.04 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 2rei h ILE 889 CO -0.04 0.17 -0.23 -0.07 0.00 0.00 0.00 178.15 177.98 2rei h LEU 890 N 0.44 0.72 -1.00 1.44 3.38 -1.00 -2.21 115.31 117.08 2rei h LEU 890 Ca 0.12 -0.26 0.03 0.00 0.09 0.00 0.00 57.88 57.87 2rei h LEU 890 Cb 0.12 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.62 2rei h LEU 890 CO -0.02 0.93 0.66 0.44 0.09 0.00 0.00 178.44 180.54 2rei h ASP 891 N 0.62 1.11 -0.27 -0.43 3.32 -0.83 -1.25 116.42 118.68 2rei h ASP 891 Ca 0.09 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.05 2rei h ASP 891 Cb 0.72 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.00 2rei h ASP 891 CO 0.06 0.77 -0.07 0.11 -1.72 0.00 0.00 179.24 178.39 2rei h LYS 892 N 1.29 0.65 -0.09 3.56 1.57 -0.84 -0.91 116.57 121.80 2rei h LYS 892 Ca 0.39 -0.18 -0.13 0.00 -1.87 0.00 0.00 60.65 58.86 2rei h LYS 892 Cb -0.03 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 2rei h LYS 892 CO -0.12 0.72 -0.53 0.52 -0.57 0.00 0.00 179.45 179.48 2rei h MET 893 N 0.60 0.26 -0.05 3.15 2.86 -0.87 0.45 114.93 121.33 2rei h MET 893 Ca 0.11 -0.15 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 2rei h MET 893 Cb 0.48 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.15 2rei h MET 893 CO 0.03 0.72 -0.04 0.82 1.06 0.00 0.00 176.91 179.50 2rei h ILE 894 N 0.20 1.35 -0.76 -1.22 2.04 -0.80 -1.86 117.51 116.46 2rei h ILE 894 Ca 0.00 -1.10 -0.05 0.00 1.00 0.00 0.00 64.86 64.72 2rei h ILE 894 Cb 0.99 1.98 -0.03 0.00 -0.74 0.00 0.00 36.82 39.02 2rei h ILE 894 CO 0.08 0.30 0.30 -0.09 0.00 0.00 0.00 178.15 178.74 2rei h ARG 895 N -0.30 1.14 -2.75 2.37 2.43 -1.17 -3.36 114.38 112.75 2rei h ARG 895 Ca 0.01 -0.20 -0.60 0.00 -0.81 0.00 0.00 59.98 58.37 2rei h ARG 895 Cb 0.50 -0.19 -0.40 0.00 -0.42 0.00 0.00 29.97 29.47 2rei h ARG 895 CO 0.01 0.92 -0.78 1.21 -1.51 0.00 0.00 179.97 179.82 2rei s ASN 896 N -6.39 3.11 0.50 -3.80 2.47 0.15 -5.00 114.94 105.98 2rei s ASN 896 Ca -0.12 -3.26 0.15 0.00 0.42 0.00 0.00 52.86 50.05 2rei s ASN 896 Cb 0.16 -0.98 1.19 0.00 -1.45 0.00 0.00 41.25 40.17 2rei s ASN 896 CO 0.83 -0.16 2.11 -0.65 -3.72 0.00 0.00 177.10 175.51 2rei h PRO 897 N 5.77 0.01 -0.34 0.43 0.11 -1.50 0.21 132.00 136.70 2rei h PRO 897 Ca 0.17 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.31 2rei h PRO 897 Cb 0.86 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.95 2rei h PRO 897 CO 0.52 0.05 0.23 -0.91 -0.21 0.00 0.00 178.00 177.68 2rei h ASN 898 N 0.01 0.27 0.64 -2.05 2.35 -1.94 -2.24 115.58 112.62 2rei h ASN 898 Ca 0.00 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2rei h ASN 898 Cb 0.08 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.39 2rei h ASN 898 CO 0.01 0.19 0.00 0.77 -1.65 0.00 0.00 177.43 176.74 2rei h SER 899 N 0.31 0.00 0.32 5.81 4.64 -1.27 -2.41 113.55 120.96 2rei h SER 899 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 2rei h SER 899 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 2rei h SER 899 CO -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.93 2rei h ALA 900 N 2.18 1.00 -0.00 5.18 0.00 -1.50 -2.40 119.26 123.71 2rei h ALA 900 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2rei h ALA 900 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2rei h ALA 900 CO 0.00 0.00 -0.45 0.72 0.00 0.00 0.00 179.25 179.52 2rei n HIS 901 N -2.64 0.00 0.61 0.00 8.25 -0.90 -0.21 115.22 120.33 2rei n HIS 901 Ca -0.01 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.52 2rei n HIS 901 Cb 0.13 -0.15 0.06 0.00 1.12 0.00 0.00 29.99 31.15 2rei n HIS 901 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70