#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a0x n GLU 605 N 0.00 -4.17 -2.97 3.17 4.07 -1.26 -4.85 120.64 114.62 3a0x n GLU 605 Ca 0.00 3.20 -0.40 0.00 -0.06 0.00 0.00 57.16 59.89 3a0x n GLU 605 Cb 0.00 -5.00 -0.04 0.00 -0.06 0.00 0.00 31.44 26.34 3a0x n GLU 605 CO 0.00 0.00 0.00 -0.06 -0.06 0.00 0.00 177.13 177.01 3a0x s PHE 606 N -0.93 3.52 0.19 4.31 0.40 -1.26 -4.50 117.98 119.71 3a0x s PHE 606 Ca -0.20 1.27 0.09 0.00 -0.60 0.00 0.00 56.93 57.49 3a0x s PHE 606 Cb 0.01 -2.90 -0.04 0.00 0.51 0.00 0.00 43.02 40.60 3a0x s PHE 606 CO 0.76 -0.04 -0.18 0.95 0.70 0.00 0.00 175.22 177.42 3a0x s THR 607 N 1.29 1.89 -0.20 0.64 -4.23 -0.56 -4.84 115.64 109.64 3a0x s THR 607 Ca 0.38 -2.04 -0.18 0.00 -1.18 0.00 0.00 61.69 58.67 3a0x s THR 607 Cb -0.18 -1.95 -0.03 0.00 1.34 0.00 0.00 72.50 71.68 3a0x s THR 607 CO 0.17 -0.38 0.52 -0.70 -0.54 0.00 0.00 174.62 173.69 3a0x s GLU 608 N -3.06 4.20 0.15 3.99 2.12 -1.26 -2.05 118.70 122.78 3a0x s GLU 608 Ca 0.19 0.42 -0.10 0.00 0.36 0.00 0.00 54.97 55.83 3a0x s GLU 608 Cb -0.05 -3.56 0.00 0.00 0.26 0.00 0.00 34.13 30.79 3a0x s GLU 608 CO 0.08 -0.13 0.30 -0.59 -0.54 0.00 0.00 175.26 174.37 3a0x s PHE 609 N 1.59 0.23 -0.48 5.30 -0.71 -0.23 -4.98 117.98 118.70 3a0x s PHE 609 Ca 0.24 -0.61 -0.28 0.00 -1.04 0.00 0.00 56.93 55.24 3a0x s PHE 609 Cb -0.15 0.02 0.03 0.00 -1.21 0.00 0.00 43.02 41.70 3a0x s PHE 609 CO 0.10 -0.70 1.09 1.21 -1.34 0.00 0.00 175.22 175.58 3a0x s ASN 610 N -2.92 6.58 0.51 1.98 3.84 -1.26 -1.76 114.94 121.92 3a0x s ASN 610 Ca 0.12 0.34 0.16 0.00 0.21 0.00 0.00 52.86 53.70 3a0x s ASN 610 Cb 0.03 -2.52 1.24 0.00 -0.55 0.00 0.00 41.25 39.45 3a0x s ASN 610 CO -0.04 -1.22 2.12 0.25 -2.79 0.00 0.00 177.10 175.43 3a0x h LEU 611 N 11.10 0.05 -1.49 3.21 5.85 -1.59 0.14 115.31 132.58 3a0x h LEU 611 Ca -0.23 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.48 3a0x h LEU 611 Cb 1.06 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.08 3a0x h LEU 611 CO 1.11 0.04 -0.01 0.78 -0.34 0.00 0.00 178.44 180.01 3a0x h ASN 612 N 0.06 0.00 -0.14 1.25 2.35 -1.84 -1.77 115.58 115.49 3a0x h ASN 612 Ca 0.04 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.65 3a0x h ASN 612 Cb 0.10 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 3a0x h ASN 612 CO -0.00 0.01 -0.43 -0.33 -1.65 0.00 0.00 177.43 175.03 3a0x h GLU 613 N 0.00 0.69 -0.53 0.81 4.39 -1.06 -2.08 114.58 116.80 3a0x h GLU 613 Ca -0.00 -0.37 -0.01 0.00 0.34 0.00 0.00 59.36 59.32 3a0x h GLU 613 Cb 0.51 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.15 3a0x h GLU 613 CO 0.00 0.98 0.28 -0.07 -1.16 0.00 0.00 179.01 179.04 3a0x h LEU 614 N 0.56 0.67 -0.31 1.33 4.07 -1.34 -1.83 115.31 118.46 3a0x h LEU 614 Ca 0.04 -0.10 0.00 0.00 0.08 0.00 0.00 57.88 57.90 3a0x h LEU 614 Cb 0.96 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 42.52 3a0x h LEU 614 CO 0.09 0.58 0.20 0.40 -1.08 0.00 0.00 178.44 178.63 3a0x h ILE 615 N 0.71 1.08 0.02 1.22 2.04 -1.26 -1.89 117.51 119.43 3a0x h ILE 615 Ca 0.19 -0.14 0.02 0.00 1.00 0.00 0.00 64.86 65.92 3a0x h ILE 615 Cb 0.07 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 3a0x h ILE 615 CO -0.03 0.08 -0.14 -0.09 0.00 0.00 0.00 178.15 177.97 3a0x h ARG 616 N 0.42 -0.23 -0.95 2.37 2.43 -1.29 -0.55 114.38 116.57 3a0x h ARG 616 Ca 0.11 0.02 0.18 0.00 -0.81 0.00 0.00 59.98 59.48 3a0x h ARG 616 Cb -0.04 0.05 -0.11 0.00 -0.42 0.00 0.00 29.97 29.45 3a0x h ARG 616 CO -0.03 -0.16 0.54 0.93 -1.51 0.00 0.00 179.97 179.74 3a0x h GLU 617 N -0.24 0.66 -0.10 0.20 5.08 -1.15 -0.84 114.58 118.20 3a0x h GLU 617 Ca 0.04 -0.04 -0.22 0.00 -1.00 0.00 0.00 59.36 58.14 3a0x h GLU 617 Cb 0.29 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.40 3a0x h GLU 617 CO -0.12 0.44 -0.83 0.28 -1.00 0.00 0.00 179.01 177.78 3a0x h VAL 618 N 0.68 1.31 -0.54 3.13 2.07 -0.98 -1.18 116.25 120.75 3a0x h VAL 618 Ca 0.54 -2.10 0.07 0.00 0.82 0.00 0.00 66.70 66.03 3a0x h VAL 618 Cb 0.85 2.12 -0.06 0.00 -1.52 0.00 0.00 31.29 32.67 3a0x h VAL 618 CO -0.39 0.65 0.22 0.22 0.02 0.00 0.00 177.57 178.29 3a0x h TYR 619 N 0.43 0.40 -0.35 1.57 3.20 -0.60 -2.41 116.97 119.21 3a0x h TYR 619 Ca -0.06 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.75 3a0x h TYR 619 Cb 1.45 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 39.60 3a0x h TYR 619 CO 0.08 0.15 -0.13 0.28 -1.64 0.00 0.00 178.16 176.89 3a0x h VAL 620 N 0.42 1.25 -0.67 1.81 2.07 -0.98 0.50 116.25 120.66 3a0x h VAL 620 Ca 0.26 -1.12 0.02 0.00 0.82 0.00 0.00 66.70 66.68 3a0x h VAL 620 Cb 0.25 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 3a0x h VAL 620 CO -0.23 0.37 0.43 0.25 0.02 0.00 0.00 177.57 178.40 3a0x h LEU 621 N 0.56 0.72 -1.85 2.57 5.85 -0.93 -3.13 115.31 119.10 3a0x h LEU 621 Ca 0.10 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3a0x h LEU 621 Cb 0.56 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.42 3a0x h LEU 621 CO 0.04 0.51 -0.02 0.49 -0.34 0.00 0.00 178.44 179.12 3a0x n PHE 622 N -4.66 0.00 -0.14 1.25 3.72 -0.87 -4.65 117.46 112.12 3a0x n PHE 622 Ca 0.06 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.43 3a0x n PHE 622 Cb 0.05 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.64 3a0x n PHE 622 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 3a0x h GLU 623 N 4.41 0.17 -0.31 -1.08 4.81 0.05 0.63 114.58 123.26 3a0x h GLU 623 Ca 0.00 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.28 3a0x h GLU 623 Cb 0.95 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.24 3a0x h GLU 623 CO 0.00 0.11 -0.02 1.49 -0.73 0.00 0.00 179.01 179.86 3a0x h GLU 624 N 0.17 0.06 -0.20 1.92 4.81 -1.82 0.09 114.58 119.60 3a0x h GLU 624 Ca 0.22 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.43 3a0x h GLU 624 Cb 0.29 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 3a0x h GLU 624 CO -0.32 0.04 0.07 -0.22 -0.73 0.00 0.00 179.01 177.85 3a0x h LYS 625 N 0.06 0.31 -0.47 1.92 3.64 -1.70 -0.07 116.57 120.26 3a0x h LYS 625 Ca 0.15 -0.06 0.07 0.00 -1.27 0.00 0.00 60.65 59.54 3a0x h LYS 625 Cb 0.21 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 31.92 3a0x h LYS 625 CO -0.27 0.40 0.10 0.82 -2.27 0.00 0.00 179.45 178.23 3a0x h ILE 626 N 0.16 0.76 -0.28 2.00 2.04 -0.76 0.06 117.51 121.49 3a0x h ILE 626 Ca 0.07 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 3a0x h ILE 626 Cb 0.22 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 3a0x h ILE 626 CO -0.00 0.04 0.11 0.03 0.00 0.00 0.00 178.15 178.34 3a0x h ARG 627 N 0.24 0.42 -0.65 2.37 3.08 -0.85 -0.72 114.38 118.28 3a0x h ARG 627 Ca 0.23 -0.08 0.06 0.00 0.07 0.00 0.00 59.98 60.26 3a0x h ARG 627 Cb 0.29 -0.07 -0.06 0.00 0.08 0.00 0.00 29.97 30.21 3a0x h ARG 627 CO -0.29 0.45 0.35 -0.22 -1.07 0.00 0.00 179.97 179.19 3a0x h LYS 628 N 0.31 0.63 0.00 0.04 3.11 -0.50 -1.93 116.57 118.23 3a0x h LYS 628 Ca 0.09 -0.04 0.00 0.00 -2.81 0.00 0.00 60.65 57.90 3a0x h LYS 628 Cb 0.18 -0.14 0.00 0.00 -1.00 0.00 0.00 32.23 31.27 3a0x h LYS 628 CO -0.01 0.41 0.00 -1.33 -2.81 0.00 0.00 179.45 175.72 3a0x n MET 629 N -4.81 0.75 -3.81 1.90 2.81 -0.04 -4.90 117.12 109.02 3a0x n MET 629 Ca 0.08 0.01 -0.26 0.00 -1.81 0.00 0.00 57.70 55.72 3a0x n MET 629 Cb 0.18 -1.50 0.03 0.00 -0.71 0.00 0.00 33.22 31.23 3a0x n MET 629 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 3a0x n ASN 630 N -1.05 -3.37 -4.74 7.83 5.15 -0.73 -0.44 115.26 117.91 3a0x n ASN 630 Ca 0.19 -0.78 -0.39 0.00 -0.60 0.00 0.00 54.58 52.99 3a0x n ASN 630 Cb 0.11 -4.02 -0.05 0.00 -0.53 0.00 0.00 39.78 35.29 3a0x n ASN 630 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3a0x s ILE 631 N -3.46 5.01 -0.51 -1.44 1.01 -0.32 -3.49 121.20 118.00 3a0x s ILE 631 Ca 0.38 1.24 -0.26 0.00 0.00 0.00 0.00 60.65 62.01 3a0x s ILE 631 Cb -0.19 -3.94 0.03 0.00 0.01 0.00 0.00 42.46 38.38 3a0x s ILE 631 CO 0.82 0.35 1.01 -0.62 0.00 0.00 0.00 174.94 176.51 3a0x s ASP 632 N 0.25 6.47 -0.15 3.58 -1.08 -0.66 -4.70 116.67 120.38 3a0x s ASP 632 Ca 0.32 0.06 -0.06 0.00 -0.52 0.00 0.00 52.55 52.34 3a0x s ASP 632 Cb -0.17 -2.48 -0.04 0.00 -1.46 0.00 0.00 42.92 38.76 3a0x s ASP 632 CO 0.16 -1.21 0.07 0.12 0.52 0.00 0.00 175.17 174.83 3a0x s PHE 633 N 4.14 3.32 -0.03 -5.34 2.19 -1.26 -1.11 117.98 119.89 3a0x s PHE 633 Ca 0.38 0.22 0.02 0.00 0.33 0.00 0.00 56.93 57.88 3a0x s PHE 633 Cb -0.10 -1.98 0.01 0.00 -1.31 0.00 0.00 43.02 39.64 3a0x s PHE 633 CO 0.25 0.37 -0.08 0.00 1.83 0.00 0.00 175.22 177.60 3a0x s PHE 635 N 0.33 2.44 0.01 0.00 5.36 -1.26 -0.74 117.98 124.11 3a0x s PHE 635 Ca -0.05 -0.88 0.02 0.00 -0.96 0.00 0.00 56.93 55.07 3a0x s PHE 635 Cb -0.09 -1.62 -0.01 0.00 -0.34 0.00 0.00 43.02 40.96 3a0x s PHE 635 CO 0.00 -0.32 -0.07 -1.21 -1.46 0.00 0.00 175.22 172.16 3a0x s GLU 636 N 0.13 0.52 -0.02 10.12 2.02 -0.57 -4.99 118.70 125.91 3a0x s GLU 636 Ca -0.12 -0.36 -0.04 0.00 0.02 0.00 0.00 54.97 54.47 3a0x s GLU 636 Cb -0.16 -0.46 0.00 0.00 0.10 0.00 0.00 34.13 33.62 3a0x s GLU 636 CO 0.06 0.12 0.09 -0.08 0.02 0.00 0.00 175.26 175.47 3a0x s THR 637 N -0.45 0.03 -1.94 3.63 -1.32 -1.26 -0.94 115.64 113.39 3a0x s THR 637 Ca -0.00 -0.25 0.28 0.00 -1.21 0.00 0.00 61.69 60.51 3a0x s THR 637 Cb -0.04 -0.22 0.48 0.00 -1.51 0.00 0.00 72.50 71.22 3a0x s THR 637 CO -0.00 -0.14 1.80 -0.90 -2.21 0.00 0.00 174.62 173.17 3a0x n ASP 638 N 2.53 0.84 -3.28 8.08 5.68 -1.11 -4.70 116.55 124.59 3a0x n ASP 638 Ca -0.16 -0.95 -0.05 0.00 -0.50 0.00 0.00 54.79 53.13 3a0x n ASP 638 Cb 0.58 0.01 -0.05 0.00 -1.14 0.00 0.00 41.12 40.51 3a0x n ASP 638 CO 0.00 0.00 0.00 0.21 -1.33 0.00 0.00 177.20 176.08 3a0x s ASN 639 N -2.30 -0.28 0.26 -1.12 3.84 -1.26 -4.95 114.94 109.13 3a0x s ASN 639 Ca 0.32 0.31 -0.03 0.00 0.21 0.00 0.00 52.86 53.68 3a0x s ASN 639 Cb 0.20 1.45 0.41 0.00 -0.55 0.00 0.00 41.25 42.77 3a0x s ASN 639 CO 0.44 -0.30 1.86 -0.33 -2.79 0.00 0.00 177.10 175.98 3a0x h GLU 640 N 8.12 1.04 -4.86 0.43 5.08 -1.99 -3.26 114.58 119.14 3a0x h GLU 640 Ca -0.18 -0.06 -0.69 0.00 -1.00 0.00 0.00 59.36 57.43 3a0x h GLU 640 Cb 1.15 -0.23 -0.19 0.00 0.50 0.00 0.00 28.75 29.98 3a0x h GLU 640 CO 0.26 0.69 0.36 0.34 -1.00 0.00 0.00 179.01 179.66 3a0x s ASP 641 N -5.81 6.32 -0.88 1.42 2.15 -1.26 -4.70 116.67 113.91 3a0x s ASP 641 Ca -0.12 -1.56 -0.01 0.00 0.43 0.00 0.00 52.55 51.29 3a0x s ASP 641 Cb 0.20 -2.34 0.22 0.00 -0.30 0.00 0.00 42.92 40.70 3a0x s ASP 641 CO 0.81 -1.14 0.79 -0.11 -0.17 0.00 0.00 175.17 175.35 3a0x n LEU 642 N 6.50 4.16 -4.73 -1.34 7.94 -1.23 -5.04 117.00 123.26 3a0x n LEU 642 Ca 0.00 -5.16 -0.41 0.00 -1.11 0.00 0.00 56.01 49.33 3a0x n LEU 642 Cb 0.45 -1.05 -0.04 0.00 0.53 0.00 0.00 43.42 43.31 3a0x n LEU 642 CO 0.56 1.62 0.71 -0.13 -1.11 0.00 0.00 177.39 179.04 3a0x s ARG 643 N -1.52 4.65 0.04 1.96 1.81 -1.26 -1.40 118.95 123.22 3a0x s ARG 643 Ca 0.28 1.53 -0.02 0.00 -1.72 0.00 0.00 55.73 55.80 3a0x s ARG 643 Cb -0.05 -3.36 -0.02 0.00 -0.45 0.00 0.00 34.95 31.07 3a0x s ARG 643 CO -0.12 0.13 0.01 0.14 -0.68 0.00 0.00 175.30 174.79 3a0x s VAL 644 N 0.09 0.15 -0.26 3.52 -7.23 -0.72 -4.90 120.40 111.05 3a0x s VAL 644 Ca 0.49 -1.27 -0.07 0.00 -1.81 0.00 0.00 61.98 59.32 3a0x s VAL 644 Cb -0.25 -0.89 -0.01 0.00 0.56 0.00 0.00 36.38 35.79 3a0x s VAL 644 CO 0.31 -0.70 0.05 -0.70 -0.31 0.00 0.00 175.10 173.75 3a0x s GLU 645 N -2.66 3.44 0.25 4.82 2.12 0.22 -1.07 118.70 125.82 3a0x s GLU 645 Ca -0.05 -0.62 -0.21 0.00 0.36 0.00 0.00 54.97 54.46 3a0x s GLU 645 Cb -0.01 -3.28 0.06 0.00 0.26 0.00 0.00 34.13 31.15 3a0x s GLU 645 CO -0.05 -0.27 0.89 0.00 -0.54 0.00 0.00 175.26 175.29 3a0x s ALA 646 N 1.56 -1.30 -0.64 6.30 0.00 -0.87 -4.24 121.76 122.56 3a0x s ALA 646 Ca 0.05 -0.32 -0.24 0.00 0.00 0.00 0.00 51.96 51.45 3a0x s ALA 646 Cb -0.16 0.72 0.06 0.00 0.00 0.00 0.00 23.12 23.74 3a0x s ALA 646 CO 0.02 -1.03 1.01 0.34 0.00 0.00 0.00 175.76 176.09 3a0x s ASP 647 N -3.10 6.22 0.22 0.00 -1.08 -1.26 -1.49 116.67 116.17 3a0x s ASP 647 Ca 0.15 -0.74 -0.08 0.00 -0.52 0.00 0.00 52.55 51.36 3a0x s ASP 647 Cb -0.04 -2.44 0.27 0.00 -1.46 0.00 0.00 42.92 39.25 3a0x s ASP 647 CO 0.07 -1.44 1.81 -0.09 0.52 0.00 0.00 175.17 176.03 3a0x h ARG 648 N 9.57 0.68 -0.43 4.34 2.43 -1.87 -1.77 114.38 127.33 3a0x h ARG 648 Ca -0.28 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 3a0x h ARG 648 Cb 1.07 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.44 3a0x h ARG 648 CO 1.17 0.45 0.27 1.15 -1.51 0.00 0.00 179.97 181.50 3a0x h THR 649 N 0.70 1.12 -0.22 0.20 2.02 -1.92 -1.58 112.91 113.23 3a0x h THR 649 Ca 0.32 -0.25 -0.17 0.00 0.77 0.00 0.00 66.41 67.08 3a0x h THR 649 Cb 0.23 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 3a0x h THR 649 CO -0.20 0.12 -0.52 0.03 0.37 0.00 0.00 175.52 175.32 3a0x h ARG 650 N 0.57 0.73 -0.88 6.66 2.47 -1.81 -1.59 114.38 120.54 3a0x h ARG 650 Ca 0.16 -0.50 -0.02 0.00 -1.26 0.00 0.00 59.98 58.35 3a0x h ARG 650 Cb -0.04 0.07 -0.04 0.00 -1.65 0.00 0.00 29.97 28.31 3a0x h ARG 650 CO -0.03 1.12 0.45 0.82 0.56 0.00 0.00 179.97 182.89 3a0x h ILE 651 N 0.45 1.26 -0.37 2.04 1.08 -1.32 -1.95 117.51 118.69 3a0x h ILE 651 Ca -0.00 -0.69 0.06 0.00 -0.39 0.00 0.00 64.86 63.84 3a0x h ILE 651 Cb 1.13 0.11 -0.05 0.00 -3.07 0.00 0.00 36.82 34.93 3a0x h ILE 651 CO 0.11 0.30 0.06 0.50 -0.69 0.00 0.00 178.15 178.43 3a0x h LYS 652 N 1.24 0.17 -0.63 2.37 3.64 -1.16 -1.17 116.57 121.03 3a0x h LYS 652 Ca 0.30 -0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.76 3a0x h LYS 652 Cb 0.07 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 31.79 3a0x h LYS 652 CO -0.04 0.11 0.27 0.37 -2.27 0.00 0.00 179.45 177.89 3a0x h GLN 653 N 0.17 0.47 0.04 1.90 4.15 -0.82 0.19 115.11 121.22 3a0x h GLN 653 Ca 0.18 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.59 3a0x h GLN 653 Cb 0.22 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.79 3a0x h GLN 653 CO -0.25 0.31 -0.12 0.28 -1.93 0.00 0.00 178.83 177.12 3a0x h VAL 654 N 0.49 0.72 -0.58 2.39 2.07 -0.95 -1.23 116.25 119.15 3a0x h VAL 654 Ca 0.31 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.82 3a0x h VAL 654 Cb 0.34 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 3a0x h VAL 654 CO -0.27 0.00 0.33 -0.07 0.02 0.00 0.00 177.57 177.58 3a0x h LEU 655 N -0.22 0.71 -0.26 2.57 3.38 -0.44 -0.41 115.31 120.63 3a0x h LEU 655 Ca 0.03 -0.08 0.06 0.00 0.09 0.00 0.00 57.88 57.99 3a0x h LEU 655 Cb 0.25 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 40.75 3a0x h LEU 655 CO -0.09 0.58 -0.20 0.40 0.09 0.00 0.00 178.44 179.22 3a0x h ILE 656 N 0.78 0.46 -0.31 1.22 2.04 -0.52 -0.36 117.51 120.82 3a0x h ILE 656 Ca 0.20 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.08 3a0x h ILE 656 Cb 0.01 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.53 3a0x h ILE 656 CO -0.04 0.00 0.16 -1.13 0.00 0.00 0.00 178.15 177.15 3a0x h ASN 657 N -0.19 0.25 -0.86 1.72 -1.24 -0.94 -0.76 115.58 113.56 3a0x h ASN 657 Ca 0.15 0.01 -0.02 0.00 0.71 0.00 0.00 56.30 57.15 3a0x h ASN 657 Cb 0.41 -0.04 -0.04 0.00 0.73 0.00 0.00 38.32 39.38 3a0x h ASN 657 CO -0.38 0.19 0.47 -0.07 -1.29 0.00 0.00 177.43 176.35 3a0x h LEU 658 N 0.34 1.09 -0.21 0.34 3.38 -0.64 -1.04 115.31 118.56 3a0x h LEU 658 Ca 0.12 -0.10 -0.16 0.00 0.09 0.00 0.00 57.88 57.83 3a0x h LEU 658 Cb 0.02 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.50 3a0x h LEU 658 CO -0.07 0.88 -0.50 0.58 0.09 0.00 0.00 178.44 179.41 3a0x h VAL 659 N 1.21 1.31 -0.32 1.22 2.07 -0.87 -1.17 116.25 119.70 3a0x h VAL 659 Ca 0.30 -1.72 0.05 0.00 0.82 0.00 0.00 66.70 66.16 3a0x h VAL 659 Cb 0.04 1.83 -0.05 0.00 -1.52 0.00 0.00 31.29 31.59 3a0x h VAL 659 CO -0.05 0.54 0.02 -0.61 0.02 0.00 0.00 177.57 177.49 3a0x h GLN 660 N 0.44 0.11 -0.58 1.57 4.15 -1.04 -0.55 115.11 119.21 3a0x h GLN 660 Ca -0.00 -0.01 -0.07 0.00 0.77 0.00 0.00 58.65 59.34 3a0x h GLN 660 Cb 1.12 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.76 3a0x h GLN 660 CO 0.11 0.07 0.09 -0.91 -1.93 0.00 0.00 178.83 176.27 3a0x h ASN 661 N 0.12 0.92 -0.83 -0.69 2.35 -1.10 -1.93 115.58 114.41 3a0x h ASN 661 Ca 0.15 -0.26 -0.03 0.00 -0.55 0.00 0.00 56.30 55.61 3a0x h ASN 661 Cb 0.19 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.28 3a0x h ASN 661 CO -0.24 0.95 0.40 0.00 -1.65 0.00 0.00 177.43 176.89 3a0x h ALA 662 N 1.01 1.07 -0.45 -0.83 0.00 -0.77 0.11 119.26 119.40 3a0x h ALA 662 Ca 0.18 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3a0x h ALA 662 Cb 0.42 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3a0x h ALA 662 CO 0.01 0.64 0.28 0.82 0.00 0.00 0.00 179.25 181.00 3a0x h ILE 663 N 1.18 1.13 -0.31 0.00 2.04 -0.84 0.39 117.51 121.10 3a0x h ILE 663 Ca 0.29 -0.26 -0.12 0.00 1.00 0.00 0.00 64.86 65.77 3a0x h ILE 663 Cb 0.12 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 3a0x h ILE 663 CO -0.04 0.13 -0.29 -0.33 0.00 0.00 0.00 178.15 177.62 3a0x h GLU 664 N 0.60 0.65 0.15 2.37 5.08 -0.94 -1.69 114.58 120.80 3a0x h GLU 664 Ca 0.16 -0.28 -0.27 0.00 -1.00 0.00 0.00 59.36 57.97 3a0x h GLU 664 Cb -0.04 -0.02 0.03 0.00 0.50 0.00 0.00 28.75 29.22 3a0x h GLU 664 CO -0.03 0.87 -1.16 0.00 -1.00 0.00 0.00 179.01 177.69 3a0x h ALA 665 N 1.12 -0.06 -0.14 3.43 0.00 -0.85 -3.32 119.26 119.42 3a0x h ALA 665 Ca 0.07 -0.76 -0.17 0.00 0.00 0.00 0.00 54.91 54.05 3a0x h ALA 665 Cb 0.78 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3a0x h ALA 665 CO 0.06 0.59 -0.61 0.00 0.00 0.00 0.00 179.25 179.29 3a0x h THR 666 N 0.07 1.34 -1.42 0.00 1.03 -0.88 -3.44 112.91 109.61 3a0x h THR 666 Ca -0.19 -1.91 0.02 0.00 -0.01 0.00 0.00 66.41 64.33 3a0x h THR 666 Cb 1.87 1.89 -0.01 0.00 -1.07 0.00 0.00 68.15 70.84 3a0x h THR 666 CO 0.22 0.58 -0.03 0.61 -0.01 0.00 0.00 175.52 176.90 3a0x n GLY 667 N 0.35 -1.36 3.62 2.99 0.00 -0.64 -4.27 105.19 105.87 3a0x n GLY 667 Ca -0.04 -1.14 -0.44 0.00 0.00 0.00 0.00 46.02 44.40 3a0x n GLY 667 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3a0x n GLU 668 N -1.50 1.58 -1.78 1.61 4.07 -1.26 -1.70 120.64 121.67 3a0x n GLU 668 Ca 0.00 0.56 -0.21 0.00 -0.06 0.00 0.00 57.16 57.45 3a0x n GLU 668 Cb 0.04 -2.01 -0.07 0.00 -0.06 0.00 0.00 31.44 29.34 3a0x n GLU 668 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 3a0x n ASN 669 N 1.21 -5.57 -2.53 4.31 3.02 0.42 -4.98 115.26 111.14 3a0x n ASN 669 Ca 0.09 0.39 0.00 0.00 -0.03 0.00 0.00 54.58 55.03 3a0x n ASN 669 Cb 0.33 -4.83 0.00 0.00 -0.61 0.00 0.00 39.78 34.67 3a0x n ASN 669 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3a0x n GLY 670 N -0.56 0.13 3.40 7.41 0.00 -0.69 -4.80 105.19 110.08 3a0x n GLY 670 Ca -0.22 -1.65 -0.12 0.00 0.00 0.00 0.00 46.02 44.03 3a0x n GLY 670 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a0x s LYS 671 N 0.52 0.56 -0.03 1.61 1.02 -1.26 -1.65 119.74 120.51 3a0x s LYS 671 Ca 0.00 0.76 0.02 0.00 0.02 0.00 0.00 55.97 56.77 3a0x s LYS 671 Cb 0.00 0.22 0.01 0.00 -0.52 0.00 0.00 37.83 37.54 3a0x s LYS 671 CO 0.00 -0.09 -0.06 0.42 -0.92 0.00 0.00 175.35 174.70 3a0x s ILE 672 N 0.59 0.56 -0.06 2.17 1.01 -0.27 -1.10 121.20 124.10 3a0x s ILE 672 Ca -0.03 -0.20 0.02 0.00 0.00 0.00 0.00 60.65 60.45 3a0x s ILE 672 Cb -0.05 -0.54 0.01 0.00 0.01 0.00 0.00 42.46 41.90 3a0x s ILE 672 CO -0.04 0.20 -0.12 -0.75 0.00 0.00 0.00 174.94 174.24 3a0x s LYS 673 N 0.49 1.64 -0.10 2.79 2.20 -0.51 -1.20 119.74 125.05 3a0x s LYS 673 Ca -0.07 -0.41 0.01 0.00 -0.36 0.00 0.00 55.97 55.14 3a0x s LYS 673 Cb -0.10 -1.37 -0.02 0.00 -1.51 0.00 0.00 37.83 34.83 3a0x s LYS 673 CO 0.00 0.04 -0.12 0.42 -0.36 0.00 0.00 175.35 175.33 3a0x s ILE 674 N 0.62 3.23 -0.00 5.43 1.01 0.08 -0.57 121.20 131.00 3a0x s ILE 674 Ca -0.14 -0.62 0.06 0.00 0.00 0.00 0.00 60.65 59.95 3a0x s ILE 674 Cb -0.15 -2.33 -0.02 0.00 0.01 0.00 0.00 42.46 39.97 3a0x s ILE 674 CO 0.03 0.55 -0.19 -0.89 0.00 0.00 0.00 174.94 174.44 3a0x s THR 675 N -0.07 1.52 -0.01 2.92 2.01 -0.08 -1.51 115.64 120.43 3a0x s THR 675 Ca -0.02 -0.89 0.05 0.00 0.31 0.00 0.00 61.69 61.15 3a0x s THR 675 Cb -0.14 -1.28 -0.01 0.00 0.01 0.00 0.00 72.50 71.08 3a0x s THR 675 CO 0.04 0.37 -0.17 -0.94 -0.69 0.00 0.00 174.62 173.23 3a0x s SER 676 N -0.60 2.02 -0.04 3.53 1.04 -0.12 -0.82 113.70 118.71 3a0x s SER 676 Ca 0.07 -0.33 0.01 0.00 0.48 0.00 0.00 55.95 56.18 3a0x s SER 676 Cb -0.08 -0.22 0.02 0.00 0.10 0.00 0.00 66.02 65.85 3a0x s SER 676 CO -0.00 0.20 -0.04 -1.61 0.98 0.00 0.00 173.24 172.76 3a0x s GLU 677 N -0.49 0.81 -0.56 4.02 2.02 0.97 -2.75 118.70 122.72 3a0x s GLU 677 Ca 0.06 -0.10 -0.26 0.00 0.02 0.00 0.00 54.97 54.69 3a0x s GLU 677 Cb -0.07 -0.81 0.03 0.00 0.10 0.00 0.00 34.13 33.38 3a0x s GLU 677 CO -0.00 -0.07 1.08 0.34 0.02 0.00 0.00 175.26 176.62 3a0x s ASP 678 N 0.88 6.41 -0.55 -0.19 -1.08 -1.26 -1.30 116.67 119.58 3a0x s ASP 678 Ca -0.12 -0.07 0.04 0.00 -0.52 0.00 0.00 52.55 51.89 3a0x s ASP 678 Cb -0.14 -2.50 0.38 0.00 -1.46 0.00 0.00 42.92 39.19 3a0x s ASP 678 CO 0.00 -1.36 1.12 0.23 0.52 0.00 0.00 175.17 175.68 3a0x n MET 679 N 7.99 3.41 0.00 4.34 2.81 -0.28 -5.02 117.12 130.36 3a0x n MET 679 Ca 0.06 -4.62 0.00 0.00 -1.81 0.00 0.00 57.70 51.33 3a0x n MET 679 Cb 0.48 -2.26 0.00 0.00 -0.71 0.00 0.00 33.22 30.74 3a0x n MET 679 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 3a0x n TYR 680 N -0.37 0.00 0.51 2.03 4.01 -1.26 -2.37 117.16 119.71 3a0x n TYR 680 Ca 0.37 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 58.16 3a0x n TYR 680 Cb 0.51 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.52 3a0x n TYR 680 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3a0x n THR 681 N 0.00 0.00 -4.00 -0.72 -2.24 -1.26 -4.97 114.28 101.09 3a0x n THR 681 Ca 0.00 -0.35 -0.08 0.00 -2.27 0.00 0.00 64.05 61.35 3a0x n THR 681 Cb 0.00 1.11 -0.09 0.00 -2.10 0.00 0.00 70.33 69.25 3a0x n THR 681 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 3a0x s LYS 682 N -1.62 0.69 0.16 -0.78 -2.85 -1.00 -0.79 119.74 113.56 3a0x s LYS 682 Ca 0.08 -1.10 0.10 0.00 -1.00 0.00 0.00 55.97 54.06 3a0x s LYS 682 Cb 0.09 0.26 -0.04 0.00 -2.06 0.00 0.00 37.83 36.08 3a0x s LYS 682 CO 0.33 -0.17 -0.22 0.14 0.10 0.00 0.00 175.35 175.53 3a0x s VAL 683 N -3.82 2.54 -0.05 1.79 -7.23 -0.53 -1.13 120.40 111.98 3a0x s VAL 683 Ca 0.06 -1.79 0.06 0.00 -1.81 0.00 0.00 61.98 58.49 3a0x s VAL 683 Cb 0.06 -2.19 -0.01 0.00 0.56 0.00 0.00 36.38 34.81 3a0x s VAL 683 CO -0.10 -0.01 -0.22 -0.60 -0.31 0.00 0.00 175.10 173.86 3a0x s ARG 684 N -2.40 2.18 -0.09 4.82 3.52 -0.42 -2.17 118.95 124.39 3a0x s ARG 684 Ca 0.19 -0.79 0.04 0.00 -0.13 0.00 0.00 55.73 55.03 3a0x s ARG 684 Cb -0.09 -1.90 0.00 0.00 -1.56 0.00 0.00 34.95 31.40 3a0x s ARG 684 CO 0.09 0.36 -0.23 0.08 -0.81 0.00 0.00 175.30 174.79 3a0x s VAL 685 N -0.16 1.94 -0.08 7.11 1.01 -0.05 -0.02 120.40 130.15 3a0x s VAL 685 Ca -0.02 -0.95 0.04 0.00 0.00 0.00 0.00 61.98 61.05 3a0x s VAL 685 Cb -0.12 -1.68 0.00 0.00 0.00 0.00 0.00 36.38 34.58 3a0x s VAL 685 CO 0.02 0.53 -0.22 -0.44 0.00 0.00 0.00 175.10 175.00 3a0x s SER 686 N 0.35 2.78 -0.21 3.32 0.01 0.00 -1.08 113.70 118.88 3a0x s SER 686 Ca -0.18 -0.49 0.00 0.00 1.31 0.00 0.00 55.95 56.60 3a0x s SER 686 Cb -0.17 -1.14 0.05 0.00 0.21 0.00 0.00 66.02 64.97 3a0x s SER 686 CO 0.08 0.15 -0.06 -0.69 0.41 0.00 0.00 173.24 173.13 3a0x s VAL 687 N 0.28 1.44 0.02 3.43 1.01 0.56 -0.90 120.40 126.23 3a0x s VAL 687 Ca -0.14 -1.05 0.05 0.00 0.00 0.00 0.00 61.98 60.83 3a0x s VAL 687 Cb -0.16 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.52 3a0x s VAL 687 CO 0.07 -0.01 -0.11 0.86 0.00 0.00 0.00 175.10 175.91 3a0x s TRP 688 N 1.46 2.77 0.01 5.22 -0.00 0.27 -0.86 118.94 127.81 3a0x s TRP 688 Ca -0.04 -0.12 0.01 0.00 -0.00 0.00 0.00 56.10 55.96 3a0x s TRP 688 Cb -0.18 -1.56 -0.01 0.00 -0.00 0.00 0.00 33.47 31.72 3a0x s TRP 688 CO -0.07 0.33 -0.04 0.54 -0.00 0.00 0.00 176.95 177.71 3a0x s ASN 689 N -1.43 0.41 0.44 5.86 4.22 -0.24 -1.43 114.94 122.77 3a0x s ASN 689 Ca 0.16 -0.28 -0.24 0.00 -2.14 0.00 0.00 52.86 50.36 3a0x s ASN 689 Cb -0.11 0.02 -0.08 0.00 1.28 0.00 0.00 41.25 42.36 3a0x s ASN 689 CO 0.07 -0.11 1.22 -0.94 -2.04 0.00 0.00 177.10 175.29 3a0x s SER 690 N -0.79 6.20 0.00 3.54 1.04 -0.26 -1.40 113.70 122.03 3a0x s SER 690 Ca -0.06 2.44 0.00 0.00 0.48 0.00 0.00 55.95 58.81 3a0x s SER 690 Cb -0.05 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.45 3a0x s SER 690 CO -0.00 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 173.92 3a0x n GLY 691 N 0.58 -0.49 3.78 7.32 0.00 0.05 -3.92 105.19 112.52 3a0x n GLY 691 Ca 0.06 -1.68 -0.36 0.00 0.00 0.00 0.00 46.02 44.04 3a0x n GLY 691 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3a0x s PRO 692 N -1.52 3.82 0.69 1.61 0.04 -1.26 -3.80 135.00 134.58 3a0x s PRO 692 Ca 0.00 1.58 -0.14 0.00 0.04 0.00 0.00 61.00 62.47 3a0x s PRO 692 Cb 0.00 -2.31 0.02 0.00 0.04 0.00 0.00 34.50 32.25 3a0x s PRO 692 CO 0.00 -0.45 1.13 -1.25 0.04 0.00 0.00 177.00 176.47 3a0x s PRO 693 N -2.86 2.55 -0.11 0.56 0.04 -1.26 -4.78 135.00 129.14 3a0x s PRO 693 Ca 0.64 1.45 -0.23 0.00 0.04 0.00 0.00 61.00 62.90 3a0x s PRO 693 Cb -0.23 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.37 3a0x s PRO 693 CO 0.28 -1.45 0.71 0.42 0.04 0.00 0.00 177.00 177.00 3a0x s ILE 694 N -2.33 5.01 0.17 0.56 1.01 -1.26 -5.02 121.20 119.34 3a0x s ILE 694 Ca 0.68 1.43 -0.34 0.00 0.00 0.00 0.00 60.65 62.42 3a0x s ILE 694 Cb -0.22 -4.04 -0.14 0.00 0.01 0.00 0.00 42.46 38.07 3a0x s ILE 694 CO 0.44 0.18 1.56 -2.65 0.00 0.00 0.00 174.94 174.47 3a0x n PRO 695 N 4.34 2.14 -2.04 2.79 -0.02 -1.26 -4.81 135.00 136.14 3a0x n PRO 695 Ca -0.00 0.77 -0.39 0.00 -2.02 0.00 0.00 63.50 61.86 3a0x n PRO 695 Cb 0.50 -2.53 -0.03 0.00 -0.02 0.00 0.00 33.50 31.42 3a0x n PRO 695 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3a0x s GLU 696 N 0.80 2.75 0.00 -0.52 2.12 -1.26 -1.27 118.70 121.32 3a0x s GLU 696 Ca 0.78 0.74 0.00 0.00 0.36 0.00 0.00 54.97 56.85 3a0x s GLU 696 Cb -0.68 -4.35 0.00 0.00 0.26 0.00 0.00 34.13 29.36 3a0x s GLU 696 CO 0.39 -2.58 0.00 -0.85 -0.54 0.00 0.00 175.26 171.67 3a0x n GLU 697 N 9.05 0.00 0.00 4.30 0.28 -1.26 -4.85 120.64 128.15 3a0x n GLU 697 Ca 0.21 0.00 0.08 0.00 -0.16 0.00 0.00 57.16 57.29 3a0x n GLU 697 Cb 0.51 0.00 0.04 0.00 1.43 0.00 0.00 31.44 33.42 3a0x n GLU 697 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 3a0x n LEU 698 N 0.00 2.06 -0.22 -1.84 -0.00 -0.40 -4.20 117.00 112.40 3a0x n LEU 698 Ca 0.00 -0.91 -0.04 0.00 -0.00 0.00 0.00 56.01 55.06 3a0x n LEU 698 Cb 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 43.42 43.48 3a0x n LEU 698 CO 0.00 0.38 1.11 0.11 -0.00 0.00 0.00 177.39 178.99 3a0x h LYS 699 N 2.63 0.75 0.00 1.96 1.57 -1.84 -1.36 116.57 120.27 3a0x h LYS 699 Ca 0.00 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 3a0x h LYS 699 Cb 0.62 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.75 3a0x h LYS 699 CO 0.00 0.49 -0.32 0.93 -0.57 0.00 0.00 179.45 179.98 3a0x h GLU 700 N 0.77 0.00 -0.99 3.15 3.07 -1.92 -3.39 114.58 115.26 3a0x h GLU 700 Ca 0.26 0.00 0.40 0.00 -0.50 0.00 0.00 59.36 59.51 3a0x h GLU 700 Cb 0.03 0.00 -0.16 0.00 -0.84 0.00 0.00 28.75 27.78 3a0x h GLU 700 CO -0.11 0.26 0.56 1.17 -1.40 0.00 0.00 179.01 179.50 3a0x n LYS 701 N -4.66 -0.05 0.17 2.33 4.81 -1.24 -0.57 118.16 118.95 3a0x n LYS 701 Ca -0.08 1.24 0.18 0.00 -0.87 0.00 0.00 58.31 58.78 3a0x n LYS 701 Cb 0.24 -2.27 0.80 0.00 0.02 0.00 0.00 35.03 33.82 3a0x n LYS 701 CO 0.00 0.00 0.00 0.97 1.17 0.00 0.00 177.40 179.54 3a0x h ILE 702 N 0.00 0.45 -0.02 3.15 2.10 -1.44 -1.47 117.51 120.27 3a0x h ILE 702 Ca 0.78 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.72 3a0x h ILE 702 Cb 2.18 0.78 0.00 0.00 -1.09 0.00 0.00 36.82 38.68 3a0x h ILE 702 CO -0.65 0.00 -0.13 0.49 -1.08 0.00 0.00 178.15 176.79 3a0x n PHE 703 N -3.79 0.00 -2.06 2.19 3.72 0.27 -4.45 117.46 113.34 3a0x n PHE 703 Ca 0.03 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.15 3a0x n PHE 703 Cb 0.42 -0.01 0.06 0.00 -0.94 0.00 0.00 39.48 39.01 3a0x n PHE 703 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3a0x s SER 704 N -2.15 5.04 0.00 4.37 1.04 -0.56 -4.23 113.70 117.22 3a0x s SER 704 Ca 0.28 0.79 0.00 0.00 0.48 0.00 0.00 55.95 57.50 3a0x s SER 704 Cb 0.20 -1.50 0.00 0.00 0.10 0.00 0.00 66.02 64.82 3a0x s SER 704 CO 0.39 -1.52 0.48 -0.81 0.98 0.00 0.00 173.24 172.76 3a0x n PRO 705 N -3.00 0.92 -1.60 4.02 -0.04 -1.26 -4.47 135.00 129.56 3a0x n PRO 705 Ca 0.07 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.17 3a0x n PRO 705 Cb 0.59 -1.43 0.08 0.00 -0.04 0.00 0.00 33.50 32.70 3a0x n PRO 705 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 3a0x s PHE 706 N -1.06 2.01 -0.16 0.54 5.36 -1.26 -5.05 117.98 118.36 3a0x s PHE 706 Ca 0.00 1.53 -0.12 0.00 -0.96 0.00 0.00 56.93 57.38 3a0x s PHE 706 Cb 0.00 -3.65 0.05 0.00 -0.34 0.00 0.00 43.02 39.08 3a0x s PHE 706 CO 0.00 -2.91 0.41 0.12 -1.46 0.00 0.00 175.22 171.37 3a0x s PHE 707 N -1.57 -0.52 0.03 10.12 5.36 -1.26 -5.06 117.98 125.08 3a0x s PHE 707 Ca 0.80 1.18 0.01 0.00 -0.96 0.00 0.00 56.93 57.97 3a0x s PHE 707 Cb -0.36 0.20 -0.02 0.00 -0.34 0.00 0.00 43.02 42.51 3a0x s PHE 707 CO 0.42 -0.28 -0.06 -0.08 -1.46 0.00 0.00 175.22 173.77 3a0x s THR 708 N 0.79 0.37 -0.83 0.12 -1.32 -1.26 -5.01 115.64 108.50 3a0x s THR 708 Ca -0.05 -0.83 0.19 0.00 -1.21 0.00 0.00 61.69 59.79 3a0x s THR 708 Cb -0.06 -0.44 0.18 0.00 -1.51 0.00 0.00 72.50 70.68 3a0x s THR 708 CO -0.06 -0.31 1.60 0.35 -2.21 0.00 0.00 174.62 173.99 3a0x n THR 709 N 1.83 0.83 -0.14 5.08 -2.24 -1.26 -2.46 114.28 115.93 3a0x n THR 709 Ca -0.21 0.19 -0.02 0.00 -2.27 0.00 0.00 64.05 61.74 3a0x n THR 709 Cb 0.56 -0.97 0.21 0.00 -2.10 0.00 0.00 70.33 68.02 3a0x n THR 709 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3a0x h LYS 710 N 0.00 0.84 -6.66 -0.78 1.57 -2.03 -3.44 116.57 106.08 3a0x h LYS 710 Ca 0.00 -0.15 -0.55 0.00 -1.87 0.00 0.00 60.65 58.09 3a0x h LYS 710 Cb 0.33 -0.14 0.07 0.00 0.08 0.00 0.00 32.23 32.58 3a0x h LYS 710 CO 0.00 0.72 0.88 2.41 -0.57 0.00 0.00 179.45 182.89 3a0x n THR 711 N -4.30 0.41 -3.22 -0.16 -1.04 -1.03 -4.99 114.28 99.95 3a0x n THR 711 Ca 0.04 -0.10 -0.23 0.00 -2.04 0.00 0.00 64.05 61.72 3a0x n THR 711 Cb 0.19 -1.82 -0.00 0.00 -1.82 0.00 0.00 70.33 66.88 3a0x n THR 711 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3a0x s GLN 712 N 0.43 3.29 3.19 -2.82 -2.07 -1.26 -4.92 119.66 115.51 3a0x s GLN 712 Ca 0.72 -0.44 0.00 0.00 -1.82 0.00 0.00 55.36 53.82 3a0x s GLN 712 Cb -0.56 -2.63 0.00 0.00 -1.09 0.00 0.00 33.01 28.73 3a0x s GLN 712 CO 0.40 -0.03 0.00 0.41 -1.32 0.00 0.00 175.29 174.75 3a0x n GLY 713 N -1.90 -0.10 0.83 2.60 0.00 -1.26 -3.90 105.19 101.46 3a0x n GLY 713 Ca -0.02 -1.00 0.10 0.00 0.00 0.00 0.00 46.02 45.10 3a0x n GLY 713 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3a0x n THR 714 N 0.00 0.18 0.00 2.61 5.66 -1.26 -5.07 114.28 116.40 3a0x n THR 714 Ca 0.00 -0.59 0.00 0.00 -3.05 0.00 0.00 64.05 60.41 3a0x n THR 714 Cb 0.00 1.24 0.00 0.00 -1.55 0.00 0.00 70.33 70.02 3a0x n THR 714 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3a0x n GLY 715 N 1.11 2.40 0.01 1.09 0.00 -1.25 -4.78 105.19 103.76 3a0x n GLY 715 Ca 0.13 -1.91 0.14 0.00 0.00 0.00 0.00 46.02 44.37 3a0x n GLY 715 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3a0x n LEU 716 N 0.00 0.15 -2.14 0.99 4.77 -1.26 -4.95 117.00 114.56 3a0x n LEU 716 Ca 0.00 0.34 -0.17 0.00 -0.03 0.00 0.00 56.01 56.15 3a0x n LEU 716 Cb 0.00 -0.41 -0.03 0.00 -2.33 0.00 0.00 43.42 40.66 3a0x n LEU 716 CO 0.00 0.04 -0.20 0.61 -1.33 0.00 0.00 177.39 176.50 3a0x n GLY 717 N 1.47 0.14 0.19 -0.72 0.00 -1.26 -4.88 105.19 100.13 3a0x n GLY 717 Ca 0.08 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.21 3a0x n GLY 717 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3a0x h LEU 718 N 0.00 0.00 -0.43 0.99 3.38 -1.93 -3.00 115.31 114.33 3a0x h LEU 718 Ca -0.39 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.51 3a0x h LEU 718 Cb 1.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 3a0x h LEU 718 CO 0.49 0.05 -0.03 -1.28 0.09 0.00 0.00 178.44 177.75 3a0x h SER 719 N 0.00 0.77 -0.04 -0.43 0.87 -1.78 -1.12 113.55 111.82 3a0x h SER 719 Ca -0.00 -0.33 -0.08 0.00 -1.23 0.00 0.00 61.79 60.15 3a0x h SER 719 Cb 1.04 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.78 3a0x h SER 719 CO 0.01 0.91 -0.21 -0.29 -0.53 0.00 0.00 176.83 176.72 3a0x h ILE 720 N 0.61 1.25 -0.39 2.23 6.09 -1.89 0.03 117.51 125.44 3a0x h ILE 720 Ca 0.12 -1.15 0.00 0.00 -1.37 0.00 0.00 64.86 62.46 3a0x h ILE 720 Cb 0.53 1.30 -0.02 0.00 0.47 0.00 0.00 36.82 39.10 3a0x h ILE 720 CO 0.03 0.36 0.25 0.00 -3.07 0.00 0.00 178.15 175.73 3a0x h ARG 722 N 0.52 0.98 0.12 0.00 2.43 -0.87 -0.94 114.38 116.63 3a0x h ARG 722 Ca 0.14 -0.32 0.01 0.00 -0.81 0.00 0.00 59.98 59.01 3a0x h ARG 722 Cb -0.06 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.38 3a0x h ARG 722 CO -0.03 0.99 -0.21 -0.22 -1.51 0.00 0.00 179.97 178.99 3a0x h LYS 723 N 0.90 -0.38 0.38 0.20 3.64 -0.34 0.08 116.57 121.05 3a0x h LYS 723 Ca 0.16 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 3a0x h LYS 723 Cb 0.57 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 3a0x h LYS 723 CO 0.03 -0.26 -0.26 0.82 -2.27 0.00 0.00 179.45 177.52 3a0x h ILE 724 N -0.40 0.45 -0.19 2.00 2.04 -0.98 -0.56 117.51 119.87 3a0x h ILE 724 Ca 0.02 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.84 3a0x h ILE 724 Cb 0.41 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 3a0x h ILE 724 CO -0.11 0.00 -0.05 0.40 0.00 0.00 0.00 178.15 178.40 3a0x h ILE 725 N -0.63 1.29 0.02 -0.67 1.08 -1.11 -2.26 117.51 115.23 3a0x h ILE 725 Ca -0.04 -1.03 -0.35 0.00 -0.39 0.00 0.00 64.86 63.06 3a0x h ILE 725 Cb 0.53 1.57 -0.05 0.00 -3.07 0.00 0.00 36.82 35.80 3a0x h ILE 725 CO 0.02 0.31 -1.94 -0.62 -0.69 0.00 0.00 178.15 175.23 3a0x n GLU 726 N -4.63 0.62 0.08 2.37 1.02 0.01 -0.47 120.64 119.64 3a0x n GLU 726 Ca -0.05 0.37 -0.23 0.00 -0.02 0.00 0.00 57.16 57.24 3a0x n GLU 726 Cb 0.28 -1.63 -0.15 0.00 -0.02 0.00 0.00 31.44 29.91 3a0x n GLU 726 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 3a0x h ASP 727 N -0.70 0.64 0.06 1.62 5.19 -1.18 -2.35 116.42 119.70 3a0x h ASP 727 Ca -0.50 -0.92 -0.08 0.00 -0.62 0.00 0.00 57.03 54.90 3a0x h ASP 727 Cb 1.60 -0.21 0.01 0.00 0.18 0.00 0.00 39.33 40.91 3a0x h ASP 727 CO -0.21 1.71 -0.37 -0.08 -3.12 0.00 0.00 179.24 177.17 3a0x h GLU 728 N 0.02 0.14 -0.00 3.56 4.81 -1.16 -3.40 114.58 118.54 3a0x h GLU 728 Ca -0.30 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 3a0x h GLU 728 Cb 2.03 0.09 0.00 0.00 0.63 0.00 0.00 28.75 31.50 3a0x h GLU 728 CO 0.19 1.10 -0.85 0.72 -0.73 0.00 0.00 179.01 179.44 3a0x n HIS 729 N -4.39 0.00 -1.60 0.92 8.25 -0.85 -4.97 115.22 112.58 3a0x n HIS 729 Ca -0.12 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.26 3a0x n HIS 729 Cb 0.63 -0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.71 3a0x n HIS 729 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3a0x n GLY 730 N 1.48 0.61 0.00 -1.41 0.00 -0.88 -4.39 105.19 100.60 3a0x n GLY 730 Ca 0.05 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.44 3a0x n GLY 730 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a0x n GLY 731 N -1.61 3.64 3.04 -0.02 0.00 0.39 -4.80 105.19 105.82 3a0x n GLY 731 Ca -0.09 -1.97 -0.12 0.00 0.00 0.00 0.00 46.02 43.85 3a0x n GLY 731 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a0x s LYS 732 N 2.67 0.28 -0.01 1.61 1.02 -0.77 -4.23 119.74 120.30 3a0x s LYS 732 Ca 0.00 -0.10 0.02 0.00 0.02 0.00 0.00 55.97 55.92 3a0x s LYS 732 Cb 0.00 0.12 -0.00 0.00 -0.52 0.00 0.00 37.83 37.43 3a0x s LYS 732 CO 0.00 -0.05 -0.07 -1.50 -0.92 0.00 0.00 175.35 172.80 3a0x s ILE 733 N -0.58 0.61 0.32 2.17 2.07 -1.26 -1.37 121.20 123.16 3a0x s ILE 733 Ca -0.07 -0.30 -0.08 0.00 -1.41 0.00 0.00 60.65 58.79 3a0x s ILE 733 Cb -0.04 -0.54 0.01 0.00 0.13 0.00 0.00 42.46 42.02 3a0x s ILE 733 CO 0.01 0.19 0.53 -1.66 -1.91 0.00 0.00 174.94 172.09 3a0x s TRP 734 N 0.05 0.66 0.07 3.50 -2.14 -0.44 -5.01 118.94 115.62 3a0x s TRP 734 Ca -0.00 -1.02 0.06 0.00 2.66 0.00 0.00 56.10 57.80 3a0x s TRP 734 Cb -0.06 0.17 -0.03 0.00 -3.10 0.00 0.00 33.47 30.45 3a0x s TRP 734 CO -0.00 -1.16 -0.16 -0.08 -2.66 0.00 0.00 176.95 172.89 3a0x s THR 735 N -3.25 1.27 0.06 0.66 -1.32 -1.26 -1.16 115.64 110.63 3a0x s THR 735 Ca 0.25 -1.31 0.01 0.00 -1.21 0.00 0.00 61.69 59.44 3a0x s THR 735 Cb -0.01 -1.18 -0.03 0.00 -1.51 0.00 0.00 72.50 69.76 3a0x s THR 735 CO 0.15 -0.14 -0.06 -1.61 -2.21 0.00 0.00 174.62 170.75 3a0x s GLU 736 N -1.67 0.62 -0.16 7.08 2.02 -0.29 -5.00 118.70 121.30 3a0x s GLU 736 Ca 0.01 -0.99 -0.17 0.00 0.02 0.00 0.00 54.97 53.84 3a0x s GLU 736 Cb -0.10 -0.17 -0.04 0.00 0.10 0.00 0.00 34.13 33.92 3a0x s GLU 736 CO 0.03 0.00 0.44 -0.80 0.02 0.00 0.00 175.26 174.94 3a0x s ASN 737 N -2.21 6.56 0.03 -0.19 0.01 -1.26 -0.99 114.94 116.90 3a0x s ASN 737 Ca -0.01 0.67 -0.11 0.00 -0.71 0.00 0.00 52.86 52.69 3a0x s ASN 737 Cb -0.03 -2.26 0.01 0.00 0.41 0.00 0.00 41.25 39.38 3a0x s ASN 737 CO -0.03 -0.04 0.24 -0.13 -1.51 0.00 0.00 177.10 175.64 3a0x s ARG 738 N 0.95 0.71 0.30 -0.60 1.81 -0.76 -4.96 118.95 116.40 3a0x s ARG 738 Ca 0.23 -0.52 0.00 0.00 -1.72 0.00 0.00 55.73 53.72 3a0x s ARG 738 Cb -0.15 0.30 0.00 0.00 -0.45 0.00 0.00 34.95 34.65 3a0x s ARG 738 CO 0.09 -0.21 0.00 0.39 -0.68 0.00 0.00 175.30 174.89 3a0x n GLU 739 N 0.78 0.00 -1.02 3.54 -0.58 -1.26 0.14 120.64 122.24 3a0x n GLU 739 Ca -0.19 0.00 -0.16 0.00 -0.42 0.00 0.00 57.16 56.39 3a0x n GLU 739 Cb 0.58 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 31.41 3a0x n GLU 739 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 3a0x n ASN 740 N -1.82 6.02 0.00 1.62 6.94 -1.26 -4.95 115.26 121.82 3a0x n ASN 740 Ca 0.00 -2.87 0.00 0.00 -0.02 0.00 0.00 54.58 51.69 3a0x n ASN 740 Cb 0.00 -1.20 0.00 0.00 -2.36 0.00 0.00 39.78 36.22 3a0x n ASN 740 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3a0x n GLY 741 N 1.16 3.17 3.10 4.83 0.00 0.38 -0.77 105.19 117.06 3a0x n GLY 741 Ca 0.33 -0.63 -0.12 0.00 0.00 0.00 0.00 46.02 45.60 3a0x n GLY 741 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a0x s VAL 742 N -2.14 0.01 0.03 1.61 1.01 -0.49 -1.83 120.40 118.60 3a0x s VAL 742 Ca 0.00 -0.11 0.07 0.00 0.00 0.00 0.00 61.98 61.94 3a0x s VAL 742 Cb 0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 36.38 36.02 3a0x s VAL 742 CO 0.00 -0.06 -0.22 0.54 0.00 0.00 0.00 175.10 175.36 3a0x s VAL 743 N -0.15 1.74 -0.14 2.92 0.11 -0.16 -1.07 120.40 123.64 3a0x s VAL 743 Ca -0.03 -1.18 0.01 0.00 -2.93 0.00 0.00 61.98 57.86 3a0x s VAL 743 Cb -0.02 -1.50 -0.00 0.00 -1.53 0.00 0.00 36.38 33.33 3a0x s VAL 743 CO 0.01 0.28 -0.17 -0.36 -3.33 0.00 0.00 175.10 171.52 3a0x s PHE 744 N -0.75 2.75 -0.01 1.54 0.40 -0.04 -1.14 117.98 120.73 3a0x s PHE 744 Ca 0.08 -1.04 0.05 0.00 -0.60 0.00 0.00 56.93 55.42 3a0x s PHE 744 Cb -0.09 -1.86 -0.01 0.00 0.51 0.00 0.00 43.02 41.57 3a0x s PHE 744 CO 0.01 -0.46 -0.15 0.42 0.70 0.00 0.00 175.22 175.74 3a0x s ILE 745 N 0.71 1.20 0.13 0.64 1.01 -0.31 -0.32 121.20 124.26 3a0x s ILE 745 Ca -0.08 -0.65 0.04 0.00 0.00 0.00 0.00 60.65 59.96 3a0x s ILE 745 Cb -0.16 -1.00 -0.04 0.00 0.01 0.00 0.00 42.46 41.27 3a0x s ILE 745 CO 0.01 0.34 -0.09 0.72 0.00 0.00 0.00 174.94 175.92 3a0x s PHE 746 N -0.35 1.14 -0.02 3.97 -0.12 -0.24 -1.33 117.98 121.04 3a0x s PHE 746 Ca 0.06 -0.77 0.01 0.00 -0.05 0.00 0.00 56.93 56.17 3a0x s PHE 746 Cb -0.06 -0.60 0.01 0.00 -0.63 0.00 0.00 43.02 41.74 3a0x s PHE 746 CO -0.01 0.01 -0.01 -1.21 -0.05 0.00 0.00 175.22 173.96 3a0x s GLU 747 N -3.57 0.22 0.08 1.99 2.02 -0.47 -0.87 118.70 118.10 3a0x s GLU 747 Ca 0.13 0.01 0.06 0.00 0.02 0.00 0.00 54.97 55.19 3a0x s GLU 747 Cb 0.02 -0.32 -0.03 0.00 0.10 0.00 0.00 34.13 33.90 3a0x s GLU 747 CO -0.01 -0.05 -0.15 0.96 0.02 0.00 0.00 175.26 176.03 3a0x s ILE 748 N 0.50 1.22 0.73 -1.63 -4.36 -0.92 -1.86 121.20 114.89 3a0x s ILE 748 Ca -0.05 -1.40 -0.14 0.00 -0.26 0.00 0.00 60.65 58.81 3a0x s ILE 748 Cb -0.07 -1.20 0.04 0.00 1.25 0.00 0.00 42.46 42.47 3a0x s ILE 748 CO -0.01 -0.23 1.14 -2.16 0.24 0.00 0.00 174.94 173.92 3a0x s PRO 749 N -1.90 2.25 0.31 0.37 0.04 -1.26 -1.45 135.00 133.36 3a0x s PRO 749 Ca 0.01 1.50 0.15 0.00 0.04 0.00 0.00 61.00 62.70 3a0x s PRO 749 Cb -0.09 -1.87 0.43 0.00 0.04 0.00 0.00 34.50 33.00 3a0x s PRO 749 CO 0.03 -1.69 1.62 0.87 0.04 0.00 0.00 177.00 177.86 3a0x h LYS 750 N -0.51 0.00 -4.75 4.56 1.57 -1.29 -3.44 116.57 112.71 3a0x h LYS 750 Ca -0.46 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 57.95 3a0x h LYS 750 Cb 1.26 0.00 -0.27 0.00 0.08 0.00 0.00 32.23 33.31 3a0x h LYS 750 CO 0.50 0.52 -0.77 0.95 -0.57 0.00 0.00 179.45 180.09 3a0x s THR 751 N -3.45 0.71 -1.29 -0.16 -4.23 -1.26 0.72 115.64 106.69 3a0x s THR 751 Ca 0.00 -0.60 0.00 0.00 -1.18 0.00 0.00 61.69 59.92 3a0x s THR 751 Cb 0.11 -0.64 0.00 0.00 1.34 0.00 0.00 72.50 73.31 3a0x s THR 751 CO 0.73 0.05 0.32 -0.81 -0.54 0.00 0.00 174.62 174.37