#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a0t s GLU 605 N 0.00 4.15 -0.12 0.03 2.02 -1.26 -5.09 118.70 118.44 3a0t s GLU 605 Ca 0.00 0.09 -0.03 0.00 0.02 0.00 0.00 54.97 55.04 3a0t s GLU 605 Cb 0.00 -3.53 -0.03 0.00 0.10 0.00 0.00 34.13 30.66 3a0t s GLU 605 CO 0.00 -0.00 0.01 -0.06 0.02 0.00 0.00 175.26 175.23 3a0t s PHE 606 N 1.21 3.18 0.13 1.61 0.40 -1.26 -4.13 117.98 119.12 3a0t s PHE 606 Ca 0.16 0.10 -0.01 0.00 -0.60 0.00 0.00 56.93 56.58 3a0t s PHE 606 Cb -0.14 -1.88 -0.04 0.00 0.51 0.00 0.00 43.02 41.47 3a0t s PHE 606 CO 0.07 0.33 0.05 0.95 0.70 0.00 0.00 175.22 177.33 3a0t s THR 607 N -0.43 0.11 -0.18 0.64 -4.23 -0.48 -4.90 115.64 106.17 3a0t s THR 607 Ca 0.08 -1.90 -0.14 0.00 -1.18 0.00 0.00 61.69 58.55 3a0t s THR 607 Cb -0.12 -2.02 -0.04 0.00 1.34 0.00 0.00 72.50 71.66 3a0t s THR 607 CO 0.02 -0.49 0.30 -1.61 -0.54 0.00 0.00 174.62 172.30 3a0t s GLU 608 N -4.04 4.22 0.13 3.99 8.01 -1.26 -1.74 118.70 128.01 3a0t s GLU 608 Ca 0.23 0.07 -0.16 0.00 0.01 0.00 0.00 54.97 55.12 3a0t s GLU 608 Cb 0.07 -3.47 0.03 0.00 -4.31 0.00 0.00 34.13 26.46 3a0t s GLU 608 CO 0.01 0.15 0.41 -0.59 0.01 0.00 0.00 175.26 175.25 3a0t s PHE 609 N 0.74 -0.19 -0.34 1.61 -0.12 -0.49 -4.98 117.98 114.20 3a0t s PHE 609 Ca 0.16 -0.12 -0.26 0.00 -0.05 0.00 0.00 56.93 56.66 3a0t s PHE 609 Cb -0.13 0.27 0.01 0.00 -0.63 0.00 0.00 43.02 42.54 3a0t s PHE 609 CO 0.05 -0.72 0.91 1.21 -0.05 0.00 0.00 175.22 176.61 3a0t s ASN 610 N -2.81 6.71 0.45 1.98 3.84 -1.26 -1.29 114.94 122.56 3a0t s ASN 610 Ca 0.04 0.67 0.17 0.00 0.21 0.00 0.00 52.86 53.95 3a0t s ASN 610 Cb 0.02 -2.46 1.05 0.00 -0.55 0.00 0.00 41.25 39.31 3a0t s ASN 610 CO -0.11 -0.79 1.98 0.25 -2.79 0.00 0.00 177.10 175.64 3a0t h LEU 611 N 9.89 0.00 -0.98 3.21 5.85 -0.65 -2.07 115.31 130.57 3a0t h LEU 611 Ca -0.23 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.39 3a0t h LEU 611 Cb 1.08 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 3a0t h LEU 611 CO 0.96 0.21 -0.42 0.78 -0.34 0.00 0.00 178.44 179.63 3a0t h ASN 612 N 0.00 0.19 -0.21 1.25 2.35 -1.83 -1.86 115.58 115.46 3a0t h ASN 612 Ca -0.00 -0.08 -0.10 0.00 -0.55 0.00 0.00 56.30 55.57 3a0t h ASN 612 Cb 0.39 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.69 3a0t h ASN 612 CO 0.03 0.59 -0.18 -0.08 -1.65 0.00 0.00 177.43 176.14 3a0t h GLU 613 N 0.15 0.65 -0.49 0.81 4.22 -1.71 -0.92 114.58 117.29 3a0t h GLU 613 Ca 0.01 -0.23 -0.04 0.00 0.08 0.00 0.00 59.36 59.18 3a0t h GLU 613 Cb 0.81 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 3a0t h GLU 613 CO 0.06 0.80 0.15 1.25 -2.18 0.00 0.00 179.01 179.08 3a0t h LEU 614 N 0.58 0.73 -0.82 1.64 5.85 -1.21 -1.33 115.31 120.74 3a0t h LEU 614 Ca 0.09 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.60 3a0t h LEU 614 Cb 0.64 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 3a0t h LEU 614 CO 0.05 0.75 0.52 0.40 -0.34 0.00 0.00 178.44 179.82 3a0t h ILE 615 N 0.67 1.22 -0.44 4.05 2.04 -1.05 -1.43 117.51 122.56 3a0t h ILE 615 Ca 0.16 -0.43 0.06 0.00 1.00 0.00 0.00 64.86 65.65 3a0t h ILE 615 Cb 0.29 0.04 -0.05 0.00 -0.74 0.00 0.00 36.82 36.35 3a0t h ILE 615 CO -0.00 0.22 0.14 -0.09 0.00 0.00 0.00 178.15 178.41 3a0t h ARG 616 N 1.11 0.28 -0.97 2.37 2.43 -0.87 0.11 114.38 118.85 3a0t h ARG 616 Ca 0.30 -0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.51 3a0t h ARG 616 Cb -0.10 -0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 29.32 3a0t h ARG 616 CO -0.06 0.19 0.62 0.93 -1.51 0.00 0.00 179.97 180.14 3a0t h GLU 617 N 0.29 1.09 -0.35 0.20 5.08 -0.41 -0.50 114.58 119.98 3a0t h GLU 617 Ca 0.21 -0.07 -0.15 0.00 -1.00 0.00 0.00 59.36 58.35 3a0t h GLU 617 Cb 0.23 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 3a0t h GLU 617 CO -0.24 0.72 -0.38 0.28 -1.00 0.00 0.00 179.01 178.40 3a0t h VAL 618 N 1.13 1.28 -0.48 3.13 2.07 -0.73 -1.39 116.25 121.26 3a0t h VAL 618 Ca 0.42 -1.55 0.07 0.00 0.82 0.00 0.00 66.70 66.46 3a0t h VAL 618 Cb 0.17 1.47 -0.06 0.00 -1.52 0.00 0.00 31.29 31.35 3a0t h VAL 618 CO -0.17 0.51 0.14 0.22 0.02 0.00 0.00 177.57 178.29 3a0t h TYR 619 N 0.66 0.25 -0.76 1.57 3.20 -0.44 -2.08 116.97 119.37 3a0t h TYR 619 Ca 0.05 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.90 3a0t h TYR 619 Cb 0.97 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 39.17 3a0t h TYR 619 CO 0.07 0.06 0.29 0.28 -1.64 0.00 0.00 178.16 177.21 3a0t h VAL 620 N 0.30 1.26 -0.88 1.81 2.07 -0.94 0.11 116.25 119.98 3a0t h VAL 620 Ca 0.24 -0.84 0.16 0.00 0.82 0.00 0.00 66.70 67.08 3a0t h VAL 620 Cb 0.27 0.38 -0.10 0.00 -1.52 0.00 0.00 31.29 30.32 3a0t h VAL 620 CO -0.27 0.34 0.46 0.25 0.02 0.00 0.00 177.57 178.37 3a0t h LEU 621 N 1.10 0.56 -1.39 2.57 5.85 -0.93 -3.02 115.31 120.05 3a0t h LEU 621 Ca 0.25 0.10 0.00 0.00 0.84 0.00 0.00 57.88 59.07 3a0t h LEU 621 Cb 0.24 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.28 3a0t h LEU 621 CO -0.02 0.21 -0.14 0.49 -0.34 0.00 0.00 178.44 178.64 3a0t n PHE 622 N -4.87 0.00 -0.12 1.25 3.72 -0.66 -4.61 117.46 112.17 3a0t n PHE 622 Ca 0.19 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.62 3a0t n PHE 622 Cb 0.48 -0.01 0.35 0.00 -0.94 0.00 0.00 39.48 39.35 3a0t n PHE 622 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 3a0t h GLU 623 N 3.39 0.74 0.04 -1.08 4.81 -0.69 -0.73 114.58 121.07 3a0t h GLU 623 Ca 0.00 -0.04 -0.19 0.00 -0.13 0.00 0.00 59.36 59.00 3a0t h GLU 623 Cb 0.80 -0.17 0.02 0.00 0.63 0.00 0.00 28.75 30.03 3a0t h GLU 623 CO 0.00 0.49 -0.75 1.49 -0.73 0.00 0.00 179.01 179.51 3a0t h GLU 624 N 0.76 0.44 -0.48 1.92 4.81 -1.81 -1.97 114.58 118.25 3a0t h GLU 624 Ca 0.23 -0.52 0.03 0.00 -0.13 0.00 0.00 59.36 58.97 3a0t h GLU 624 Cb 0.00 0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.51 3a0t h GLU 624 CO -0.06 1.18 0.27 -0.22 -0.73 0.00 0.00 179.01 179.45 3a0t h LYS 625 N -0.07 0.52 -0.64 1.92 3.64 -1.76 -0.57 116.57 119.61 3a0t h LYS 625 Ca -0.10 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.28 3a0t h LYS 625 Cb 1.47 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 33.13 3a0t h LYS 625 CO 0.15 0.35 0.38 0.82 -2.27 0.00 0.00 179.45 178.87 3a0t h ILE 626 N 0.54 1.05 0.13 2.00 2.04 -1.11 -1.64 117.51 120.52 3a0t h ILE 626 Ca 0.20 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 3a0t h ILE 626 Cb 0.05 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 36.38 3a0t h ILE 626 CO -0.11 0.14 -0.06 -0.09 0.00 0.00 0.00 178.15 178.02 3a0t h ARG 627 N 0.74 -0.17 -0.51 2.37 2.43 -1.20 -0.55 114.38 117.50 3a0t h ARG 627 Ca 0.26 0.01 0.14 0.00 -0.81 0.00 0.00 59.98 59.59 3a0t h ARG 627 Cb 0.06 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 3a0t h ARG 627 CO -0.12 0.08 0.36 0.87 -1.51 0.00 0.00 179.97 179.65 3a0t h LYS 628 N -0.40 0.04 -0.21 0.20 1.57 -0.97 0.47 116.57 117.28 3a0t h LYS 628 Ca -0.02 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3a0t h LYS 628 Cb 0.32 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.62 3a0t h LYS 628 CO 0.03 0.03 0.00 -1.33 -0.57 0.00 0.00 179.45 177.61 3a0t n MET 629 N -4.40 2.19 -3.41 3.15 2.81 -0.63 -4.94 117.12 111.90 3a0t n MET 629 Ca 0.09 -1.77 -0.25 0.00 -1.81 0.00 0.00 57.70 53.96 3a0t n MET 629 Cb 0.55 -1.47 0.02 0.00 -0.71 0.00 0.00 33.22 31.61 3a0t n MET 629 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 3a0t n ASN 630 N 1.04 -4.86 -4.72 7.83 5.15 0.16 -0.39 115.26 119.46 3a0t n ASN 630 Ca 0.17 -0.46 -0.41 0.00 -0.60 0.00 0.00 54.58 53.28 3a0t n ASN 630 Cb 0.51 -3.94 -0.04 0.00 -0.53 0.00 0.00 39.78 35.79 3a0t n ASN 630 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3a0t s ILE 631 N -3.11 4.65 -0.40 -1.44 1.01 -0.28 -3.63 121.20 117.99 3a0t s ILE 631 Ca 0.45 2.04 -0.29 0.00 0.00 0.00 0.00 60.65 62.85 3a0t s ILE 631 Cb -0.22 -4.31 0.02 0.00 0.01 0.00 0.00 42.46 37.96 3a0t s ILE 631 CO 0.55 0.26 1.11 -0.62 0.00 0.00 0.00 174.94 176.24 3a0t s ASP 632 N 0.36 6.78 -0.16 3.58 2.15 -0.39 -4.70 116.67 124.29 3a0t s ASP 632 Ca 0.48 0.75 -0.05 0.00 0.43 0.00 0.00 52.55 54.17 3a0t s ASP 632 Cb -0.22 -2.55 -0.03 0.00 -0.30 0.00 0.00 42.92 39.82 3a0t s ASP 632 CO 0.29 -1.07 0.00 0.12 -0.17 0.00 0.00 175.17 174.34 3a0t s PHE 633 N 4.06 3.12 0.01 -5.34 2.19 -1.26 -0.55 117.98 120.21 3a0t s PHE 633 Ca 0.47 -0.11 0.05 0.00 0.33 0.00 0.00 56.93 57.66 3a0t s PHE 633 Cb -0.10 -1.98 -0.02 0.00 -1.31 0.00 0.00 43.02 39.62 3a0t s PHE 633 CO 0.24 0.09 -0.14 0.00 1.83 0.00 0.00 175.22 177.23 3a0t s PHE 635 N -0.52 0.96 -0.02 0.00 5.36 -1.26 -1.19 117.98 121.31 3a0t s PHE 635 Ca 0.04 -0.21 -0.02 0.00 -0.96 0.00 0.00 56.93 55.78 3a0t s PHE 635 Cb -0.06 -0.61 0.00 0.00 -0.34 0.00 0.00 43.02 42.01 3a0t s PHE 635 CO 0.00 -0.01 0.06 -2.00 -1.46 0.00 0.00 175.22 171.81 3a0t s GLU 636 N -0.39 0.11 0.02 10.12 2.12 -0.39 -4.99 118.70 125.30 3a0t s GLU 636 Ca 0.03 0.02 -0.05 0.00 0.36 0.00 0.00 54.97 55.33 3a0t s GLU 636 Cb -0.05 0.05 -0.01 0.00 0.26 0.00 0.00 34.13 34.38 3a0t s GLU 636 CO -0.00 -0.02 0.07 -0.08 -0.54 0.00 0.00 175.26 174.69 3a0t s THR 637 N -0.14 0.12 -1.83 -1.70 -1.32 -1.26 -1.06 115.64 108.44 3a0t s THR 637 Ca -0.02 -0.95 0.19 0.00 -1.21 0.00 0.00 61.69 59.70 3a0t s THR 637 Cb -0.01 -0.62 0.45 0.00 -1.51 0.00 0.00 72.50 70.81 3a0t s THR 637 CO 0.00 -0.52 1.38 -0.90 -2.21 0.00 0.00 174.62 172.36 3a0t n ASP 638 N 1.16 3.42 -3.18 8.08 5.68 -1.12 -4.86 116.55 125.74 3a0t n ASP 638 Ca -0.21 -1.96 0.04 0.00 -0.50 0.00 0.00 54.79 52.16 3a0t n ASP 638 Cb 0.57 -0.32 -0.01 0.00 -1.14 0.00 0.00 41.12 40.22 3a0t n ASP 638 CO 0.00 0.00 0.00 0.21 -1.33 0.00 0.00 177.20 176.08 3a0t s ASN 639 N -1.15 -1.22 0.36 -1.12 3.84 -1.26 -4.86 114.94 109.53 3a0t s ASN 639 Ca 0.37 0.81 0.08 0.00 0.21 0.00 0.00 52.86 54.33 3a0t s ASN 639 Cb 0.20 2.04 0.79 0.00 -0.55 0.00 0.00 41.25 43.74 3a0t s ASN 639 CO 0.27 -0.23 1.91 -0.08 -2.79 0.00 0.00 177.10 176.18 3a0t h GLU 640 N 7.99 0.69 -2.85 0.43 4.81 -1.99 -3.21 114.58 120.46 3a0t h GLU 640 Ca -0.21 -0.04 -0.78 0.00 -0.13 0.00 0.00 59.36 58.20 3a0t h GLU 640 Cb 1.16 -0.16 -0.21 0.00 0.63 0.00 0.00 28.75 30.17 3a0t h GLU 640 CO 0.19 0.46 1.53 -0.25 -0.73 0.00 0.00 179.01 180.21 3a0t n ASP 641 N -4.52 6.64 -4.46 1.04 9.92 -1.26 -4.68 116.55 119.24 3a0t n ASP 641 Ca 0.14 -3.34 -0.44 0.00 -0.53 0.00 0.00 54.79 50.63 3a0t n ASP 641 Cb 0.37 -1.32 -0.00 0.00 -0.64 0.00 0.00 41.12 39.52 3a0t n ASP 641 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 3a0t s LEU 642 N -2.30 5.12 -0.06 0.64 2.96 -1.21 -4.99 118.68 118.83 3a0t s LEU 642 Ca 0.40 -2.88 -0.15 0.00 -0.22 0.00 0.00 54.13 51.28 3a0t s LEU 642 Cb 0.12 -2.39 -0.05 0.00 0.50 0.00 0.00 46.19 44.37 3a0t s LEU 642 CO -0.01 -0.77 0.41 -0.13 -1.32 0.00 0.00 176.35 174.52 3a0t s ARG 643 N 1.61 4.07 0.13 1.98 0.52 -1.26 0.15 118.95 126.16 3a0t s ARG 643 Ca 0.41 0.37 0.03 0.00 -0.52 0.00 0.00 55.73 56.02 3a0t s ARG 643 Cb -0.03 -3.31 -0.04 0.00 0.52 0.00 0.00 34.95 32.08 3a0t s ARG 643 CO -0.02 0.48 -0.08 0.14 0.02 0.00 0.00 175.30 175.85 3a0t s VAL 644 N -0.40 0.97 -0.33 3.52 -7.23 -0.41 -4.91 120.40 111.61 3a0t s VAL 644 Ca 0.23 -2.01 -0.08 0.00 -1.81 0.00 0.00 61.98 58.31 3a0t s VAL 644 Cb -0.16 -1.82 0.02 0.00 0.56 0.00 0.00 36.38 34.99 3a0t s VAL 644 CO 0.11 -0.77 0.13 -0.70 -0.31 0.00 0.00 175.10 173.56 3a0t s GLU 645 N -3.79 2.87 0.33 4.82 2.12 0.11 -1.40 118.70 123.75 3a0t s GLU 645 Ca 0.16 -1.02 -0.18 0.00 0.36 0.00 0.00 54.97 54.29 3a0t s GLU 645 Cb 0.04 -3.51 0.03 0.00 0.26 0.00 0.00 34.13 30.95 3a0t s GLU 645 CO -0.01 -0.59 0.73 0.00 -0.54 0.00 0.00 175.26 174.85 3a0t s ALA 646 N 1.48 -0.89 -0.73 6.30 0.00 -0.71 -4.42 121.76 122.80 3a0t s ALA 646 Ca 0.01 -0.58 -0.25 0.00 0.00 0.00 0.00 51.96 51.14 3a0t s ALA 646 Cb -0.19 0.79 0.05 0.00 0.00 0.00 0.00 23.12 23.78 3a0t s ALA 646 CO 0.04 -1.00 1.16 0.34 0.00 0.00 0.00 175.76 176.30 3a0t s ASP 647 N -3.00 6.19 0.15 0.00 -1.08 -1.26 -1.38 116.67 116.29 3a0t s ASP 647 Ca 0.14 -0.74 -0.16 0.00 -0.52 0.00 0.00 52.55 51.27 3a0t s ASP 647 Cb -0.05 -2.50 0.02 0.00 -1.46 0.00 0.00 42.92 38.92 3a0t s ASP 647 CO 0.10 -1.65 1.77 -0.09 0.52 0.00 0.00 175.17 175.81 3a0t h ARG 648 N 9.81 0.59 -0.91 4.34 2.43 -1.89 0.53 114.38 129.28 3a0t h ARG 648 Ca -0.25 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 58.85 3a0t h ARG 648 Cb 1.06 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.44 3a0t h ARG 648 CO 1.25 0.46 0.55 1.15 -1.51 0.00 0.00 179.97 181.86 3a0t h THR 649 N 0.56 1.25 -0.05 0.20 2.02 -1.91 -0.25 112.91 114.74 3a0t h THR 649 Ca 0.15 -0.55 -0.21 0.00 0.77 0.00 0.00 66.41 66.57 3a0t h THR 649 Cb 0.03 -0.03 0.01 0.00 -1.74 0.00 0.00 68.15 66.42 3a0t h THR 649 CO -0.03 0.27 -0.80 0.03 0.37 0.00 0.00 175.52 175.35 3a0t h ARG 650 N 1.26 0.63 -0.76 6.66 -0.00 -1.75 -1.32 114.38 119.09 3a0t h ARG 650 Ca 0.33 -0.61 -0.03 0.00 -0.50 0.00 0.00 59.98 59.16 3a0t h ARG 650 Cb -0.05 0.16 -0.04 0.00 0.00 0.00 0.00 29.97 30.04 3a0t h ARG 650 CO -0.06 1.22 0.35 0.82 0.00 0.00 0.00 179.97 182.30 3a0t h ILE 651 N 0.27 1.24 -0.80 2.04 1.08 -0.83 -1.21 117.51 119.31 3a0t h ILE 651 Ca -0.09 -0.72 0.03 0.00 -0.39 0.00 0.00 64.86 63.70 3a0t h ILE 651 Cb 1.46 0.29 -0.05 0.00 -3.07 0.00 0.00 36.82 35.45 3a0t h ILE 651 CO 0.16 0.30 0.51 0.50 -0.69 0.00 0.00 178.15 178.93 3a0t h LYS 652 N 1.09 0.98 -0.91 2.37 3.64 -0.98 -1.64 116.57 121.12 3a0t h LYS 652 Ca 0.26 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.57 3a0t h LYS 652 Cb 0.14 -0.22 -0.04 0.00 -0.41 0.00 0.00 32.23 31.70 3a0t h LYS 652 CO -0.03 0.65 0.50 0.37 -2.27 0.00 0.00 179.45 178.67 3a0t h GLN 653 N 1.01 1.27 -0.13 1.90 5.75 -0.65 -0.61 115.11 123.65 3a0t h GLN 653 Ca 0.31 -0.15 0.03 0.00 -0.15 0.00 0.00 58.65 58.70 3a0t h GLN 653 Cb -0.01 -0.25 -0.03 0.00 1.07 0.00 0.00 27.48 28.26 3a0t h GLN 653 CO -0.11 0.92 -0.04 0.28 -2.65 0.00 0.00 178.83 177.24 3a0t h VAL 654 N 1.28 0.86 -0.59 2.39 2.07 -0.69 -0.66 116.25 120.90 3a0t h VAL 654 Ca 0.32 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.87 3a0t h VAL 654 Cb 0.02 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 3a0t h VAL 654 CO -0.05 0.00 0.35 -0.07 0.02 0.00 0.00 177.57 177.82 3a0t h LEU 655 N -0.01 0.57 -0.55 2.57 3.38 -0.89 -1.19 115.31 119.19 3a0t h LEU 655 Ca 0.06 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 3a0t h LEU 655 Cb 0.11 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 3a0t h LEU 655 CO -0.14 0.40 0.33 0.40 0.09 0.00 0.00 178.44 179.52 3a0t h ILE 656 N 0.70 1.16 -0.63 1.22 2.04 -0.96 -0.32 117.51 120.72 3a0t h ILE 656 Ca 0.24 -0.37 -0.08 0.00 1.00 0.00 0.00 64.86 65.65 3a0t h ILE 656 Cb 0.03 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.52 3a0t h ILE 656 CO -0.11 0.17 0.10 0.78 0.00 0.00 0.00 178.15 179.09 3a0t h ASN 657 N 0.73 1.00 -0.35 1.72 4.21 -0.65 0.33 115.58 122.58 3a0t h ASN 657 Ca 0.20 -0.26 -0.15 0.00 1.21 0.00 0.00 56.30 57.29 3a0t h ASN 657 Cb -0.01 -0.27 -0.01 0.00 -1.12 0.00 0.00 38.32 36.91 3a0t h ASN 657 CO -0.04 1.01 -0.35 -0.07 -1.29 0.00 0.00 177.43 176.70 3a0t h LEU 658 N 0.95 0.94 -0.32 1.61 3.38 -1.11 -1.98 115.31 118.79 3a0t h LEU 658 Ca 0.19 -0.41 -0.19 0.00 0.09 0.00 0.00 57.88 57.56 3a0t h LEU 658 Cb 0.44 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3a0t h LEU 658 CO 0.01 1.19 -0.61 0.58 0.09 0.00 0.00 178.44 179.71 3a0t h VAL 659 N 0.74 1.29 -0.39 1.22 2.07 -0.79 -0.80 116.25 119.59 3a0t h VAL 659 Ca 0.07 -1.82 0.03 0.00 0.82 0.00 0.00 66.70 65.80 3a0t h VAL 659 Cb 0.92 1.76 -0.03 0.00 -1.52 0.00 0.00 31.29 32.42 3a0t h VAL 659 CO 0.09 0.58 0.19 -0.61 0.02 0.00 0.00 177.57 177.84 3a0t h GLN 660 N 0.57 0.37 -0.88 1.57 5.75 -0.94 -0.98 115.11 120.59 3a0t h GLN 660 Ca -0.00 -0.02 0.01 0.00 -0.15 0.00 0.00 58.65 58.48 3a0t h GLN 660 Cb 1.21 -0.08 -0.04 0.00 1.07 0.00 0.00 27.48 29.63 3a0t h GLN 660 CO 0.13 0.25 0.58 -0.91 -2.65 0.00 0.00 178.83 176.23 3a0t h ASN 661 N 0.39 1.01 -0.38 -0.69 2.35 -1.20 -1.59 115.58 115.47 3a0t h ASN 661 Ca 0.17 -0.03 -0.05 0.00 -0.55 0.00 0.00 56.30 55.84 3a0t h ASN 661 Cb 0.08 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 3a0t h ASN 661 CO -0.12 0.73 0.04 0.00 -1.65 0.00 0.00 177.43 176.43 3a0t h ALA 662 N 1.45 0.50 -0.36 -0.83 0.00 -0.56 0.12 119.26 119.58 3a0t h ALA 662 Ca 0.32 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3a0t h ALA 662 Cb -0.14 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3a0t h ALA 662 CO -0.07 0.23 0.21 0.82 0.00 0.00 0.00 179.25 180.45 3a0t h ILE 663 N 0.47 1.13 -0.55 0.00 2.04 -1.03 0.53 117.51 120.09 3a0t h ILE 663 Ca 0.11 -0.30 -0.05 0.00 1.00 0.00 0.00 64.86 65.62 3a0t h ILE 663 Cb 0.40 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 3a0t h ILE 663 CO 0.01 0.13 0.14 -0.33 0.00 0.00 0.00 178.15 178.10 3a0t h GLU 664 N 0.46 0.85 -0.05 2.37 5.08 -1.09 -1.19 114.58 121.02 3a0t h GLU 664 Ca 0.13 -0.17 -0.25 0.00 -1.00 0.00 0.00 59.36 58.06 3a0t h GLU 664 Cb 0.02 -0.13 0.02 0.00 0.50 0.00 0.00 28.75 29.16 3a0t h GLU 664 CO -0.02 0.76 -0.96 0.00 -1.00 0.00 0.00 179.01 177.78 3a0t h ALA 665 N 1.33 0.20 0.06 3.43 0.00 -0.60 -3.35 119.26 120.34 3a0t h ALA 665 Ca 0.18 -0.67 -0.26 0.00 0.00 0.00 0.00 54.91 54.16 3a0t h ALA 665 Cb 0.29 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3a0t h ALA 665 CO -0.00 0.69 -1.31 0.00 0.00 0.00 0.00 179.25 178.63 3a0t h THR 666 N 0.43 1.39 -1.66 0.00 1.03 -0.75 -3.44 112.91 109.91 3a0t h THR 666 Ca -0.10 -3.06 0.06 0.00 -0.01 0.00 0.00 66.41 63.30 3a0t h THR 666 Cb 1.61 2.79 -0.02 0.00 -1.07 0.00 0.00 68.15 71.46 3a0t h THR 666 CO 0.19 0.85 -0.08 0.61 -0.01 0.00 0.00 175.52 177.07 3a0t n GLY 667 N 1.51 -1.41 3.65 2.99 0.00 -0.46 -4.28 105.19 107.19 3a0t n GLY 667 Ca -0.09 -1.14 -0.44 0.00 0.00 0.00 0.00 46.02 44.35 3a0t n GLY 667 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3a0t n GLU 668 N -1.88 1.81 -1.27 1.61 4.07 -1.26 -1.91 120.64 121.81 3a0t n GLU 668 Ca 0.00 0.64 -0.09 0.00 -0.06 0.00 0.00 57.16 57.65 3a0t n GLU 668 Cb 0.11 -2.16 -0.04 0.00 -0.06 0.00 0.00 31.44 29.29 3a0t n GLU 668 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 3a0t n ASN 669 N 1.21 -4.98 -2.41 4.31 3.02 0.48 -4.97 115.26 111.91 3a0t n ASN 669 Ca 0.08 0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.86 3a0t n ASN 669 Cb 0.33 -3.29 0.00 0.00 -0.61 0.00 0.00 39.78 36.21 3a0t n ASN 669 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3a0t n GLY 670 N -0.69 -0.42 3.07 7.41 0.00 -0.80 -4.77 105.19 108.99 3a0t n GLY 670 Ca -0.09 -1.70 -0.13 0.00 0.00 0.00 0.00 46.02 44.10 3a0t n GLY 670 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a0t s LYS 671 N -0.32 0.22 -0.02 1.61 1.02 -1.26 -1.26 119.74 119.73 3a0t s LYS 671 Ca 0.00 0.37 0.02 0.00 0.02 0.00 0.00 55.97 56.37 3a0t s LYS 671 Cb 0.00 0.03 0.01 0.00 -0.52 0.00 0.00 37.83 37.35 3a0t s LYS 671 CO 0.00 -0.08 -0.05 0.42 -0.92 0.00 0.00 175.35 174.72 3a0t s ILE 672 N 0.53 0.51 -0.07 2.17 1.01 0.28 -1.43 121.20 124.21 3a0t s ILE 672 Ca -0.03 -0.19 0.02 0.00 0.00 0.00 0.00 60.65 60.44 3a0t s ILE 672 Cb -0.05 -0.49 0.02 0.00 0.01 0.00 0.00 42.46 41.95 3a0t s ILE 672 CO -0.03 0.18 -0.11 -0.75 0.00 0.00 0.00 174.94 174.24 3a0t s LYS 673 N 0.41 1.61 -0.16 2.79 2.20 0.16 -0.61 119.74 126.14 3a0t s LYS 673 Ca -0.05 -0.37 -0.04 0.00 -0.36 0.00 0.00 55.97 55.16 3a0t s LYS 673 Cb -0.09 -1.40 -0.03 0.00 -1.51 0.00 0.00 37.83 34.81 3a0t s LYS 673 CO -0.00 -0.03 -0.03 0.42 -0.36 0.00 0.00 175.35 175.35 3a0t s ILE 674 N 0.85 3.92 -0.07 5.43 1.01 -0.33 0.09 121.20 132.11 3a0t s ILE 674 Ca -0.11 -0.35 0.05 0.00 0.00 0.00 0.00 60.65 60.24 3a0t s ILE 674 Cb -0.15 -2.72 -0.00 0.00 0.01 0.00 0.00 42.46 39.60 3a0t s ILE 674 CO 0.01 0.49 -0.21 -0.89 0.00 0.00 0.00 174.94 174.35 3a0t s THR 675 N 0.35 1.76 0.01 2.92 2.01 -0.25 -1.26 115.64 121.18 3a0t s THR 675 Ca -0.04 -0.88 0.07 0.00 0.31 0.00 0.00 61.69 61.15 3a0t s THR 675 Cb -0.14 -1.52 -0.03 0.00 0.01 0.00 0.00 72.50 70.83 3a0t s THR 675 CO 0.03 0.50 -0.22 -0.94 -0.69 0.00 0.00 174.62 173.29 3a0t s SER 676 N 0.14 3.45 -0.05 3.53 1.04 -0.23 -0.35 113.70 121.24 3a0t s SER 676 Ca -0.09 -0.44 0.01 0.00 0.48 0.00 0.00 55.95 55.90 3a0t s SER 676 Cb -0.15 -0.49 0.02 0.00 0.10 0.00 0.00 66.02 65.51 3a0t s SER 676 CO 0.05 0.29 -0.04 -0.70 0.98 0.00 0.00 173.24 173.82 3a0t s GLU 677 N -1.00 0.78 -0.42 4.02 2.12 0.46 -2.77 118.70 121.88 3a0t s GLU 677 Ca 0.12 -0.07 -0.29 0.00 0.36 0.00 0.00 54.97 55.08 3a0t s GLU 677 Cb -0.10 -0.84 0.02 0.00 0.26 0.00 0.00 34.13 33.48 3a0t s GLU 677 CO 0.02 -0.11 1.14 0.34 -0.54 0.00 0.00 175.26 176.11 3a0t s ASP 678 N 1.03 6.71 -0.25 -1.70 -1.08 -1.26 -1.14 116.67 118.98 3a0t s ASP 678 Ca -0.09 0.69 0.11 0.00 -0.52 0.00 0.00 52.55 52.74 3a0t s ASP 678 Cb -0.14 -2.55 0.49 0.00 -1.46 0.00 0.00 42.92 39.27 3a0t s ASP 678 CO -0.01 -1.14 1.42 0.23 0.52 0.00 0.00 175.17 176.19 3a0t n MET 679 N 7.54 2.05 0.00 4.34 2.81 0.24 -5.00 117.12 129.10 3a0t n MET 679 Ca 0.12 -3.07 0.00 0.00 -1.81 0.00 0.00 57.70 52.95 3a0t n MET 679 Cb 0.48 -1.80 0.00 0.00 -0.71 0.00 0.00 33.22 31.20 3a0t n MET 679 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 3a0t n TYR 680 N -1.00 0.00 1.04 2.03 4.01 -1.26 -3.34 117.16 118.64 3a0t n TYR 680 Ca 0.29 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 58.14 3a0t n TYR 680 Cb 0.96 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 40.04 3a0t n TYR 680 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3a0t n THR 681 N 0.00 0.00 -3.92 -0.72 -2.24 -1.26 -4.91 114.28 101.22 3a0t n THR 681 Ca 0.00 -0.18 -0.09 0.00 -2.27 0.00 0.00 64.05 61.51 3a0t n THR 681 Cb 0.00 1.03 -0.07 0.00 -2.10 0.00 0.00 70.33 69.20 3a0t n THR 681 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 3a0t s LYS 682 N -2.60 1.16 0.13 -0.78 -2.85 -1.21 -1.82 119.74 111.76 3a0t s LYS 682 Ca 0.17 -1.12 0.10 0.00 -1.00 0.00 0.00 55.97 54.13 3a0t s LYS 682 Cb 0.18 0.39 -0.04 0.00 -2.06 0.00 0.00 37.83 36.30 3a0t s LYS 682 CO 0.63 -0.43 -0.24 0.14 0.10 0.00 0.00 175.35 175.54 3a0t s VAL 683 N -3.95 2.43 -0.08 1.79 -7.23 -0.29 -0.59 120.40 112.48 3a0t s VAL 683 Ca 0.15 -1.69 0.04 0.00 -1.81 0.00 0.00 61.98 58.67 3a0t s VAL 683 Cb 0.03 -2.09 -0.00 0.00 0.56 0.00 0.00 36.38 34.88 3a0t s VAL 683 CO -0.01 0.09 -0.22 -0.60 -0.31 0.00 0.00 175.10 174.04 3a0t s ARG 684 N -2.10 2.62 -0.08 4.82 3.52 -0.29 -2.08 118.95 125.36 3a0t s ARG 684 Ca 0.15 -0.80 0.05 0.00 -0.13 0.00 0.00 55.73 55.00 3a0t s ARG 684 Cb -0.10 -2.08 -0.00 0.00 -1.56 0.00 0.00 34.95 31.21 3a0t s ARG 684 CO 0.07 0.22 -0.23 0.08 -0.81 0.00 0.00 175.30 174.63 3a0t s VAL 685 N 0.21 1.98 -0.08 7.11 1.01 0.15 -0.41 120.40 130.37 3a0t s VAL 685 Ca -0.13 -1.00 0.05 0.00 0.00 0.00 0.00 61.98 60.90 3a0t s VAL 685 Cb -0.16 -1.70 -0.01 0.00 0.00 0.00 0.00 36.38 34.52 3a0t s VAL 685 CO 0.06 0.55 -0.24 -0.44 0.00 0.00 0.00 175.10 175.03 3a0t s SER 686 N 0.16 3.14 -0.29 3.32 0.01 0.53 -1.05 113.70 119.52 3a0t s SER 686 Ca -0.12 -0.52 0.03 0.00 1.31 0.00 0.00 55.95 56.64 3a0t s SER 686 Cb -0.16 -1.19 0.07 0.00 0.21 0.00 0.00 66.02 64.95 3a0t s SER 686 CO 0.06 0.20 -0.06 -0.69 0.41 0.00 0.00 173.24 173.16 3a0t s VAL 687 N 0.13 2.26 -0.04 3.43 1.01 0.56 -1.09 120.40 126.66 3a0t s VAL 687 Ca -0.12 -1.82 -0.00 0.00 0.00 0.00 0.00 61.98 60.04 3a0t s VAL 687 Cb -0.16 -2.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.76 3a0t s VAL 687 CO 0.07 -0.19 0.01 0.86 0.00 0.00 0.00 175.10 175.84 3a0t s TRP 688 N 1.06 3.13 0.04 5.22 -0.00 0.11 -0.98 118.94 127.52 3a0t s TRP 688 Ca -0.03 0.14 0.03 0.00 -0.00 0.00 0.00 56.10 56.24 3a0t s TRP 688 Cb -0.20 -1.73 -0.02 0.00 -0.00 0.00 0.00 33.47 31.52 3a0t s TRP 688 CO -0.06 0.47 -0.10 0.54 -0.00 0.00 0.00 176.95 177.81 3a0t s ASN 689 N -1.26 1.10 0.23 5.86 4.22 -0.33 -0.66 114.94 124.10 3a0t s ASN 689 Ca 0.17 -0.45 -0.30 0.00 -2.14 0.00 0.00 52.86 50.14 3a0t s ASN 689 Cb -0.11 -0.03 -0.09 0.00 1.28 0.00 0.00 41.25 42.30 3a0t s ASN 689 CO 0.07 -0.09 1.22 -0.94 -2.04 0.00 0.00 177.10 175.32 3a0t s SER 690 N -1.24 7.03 0.00 3.54 1.04 -0.51 -0.99 113.70 122.57 3a0t s SER 690 Ca -0.04 2.36 0.00 0.00 0.48 0.00 0.00 55.95 58.74 3a0t s SER 690 Cb -0.08 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.42 3a0t s SER 690 CO 0.01 -0.38 0.00 0.61 0.98 0.00 0.00 173.24 174.46 3a0t n GLY 691 N 1.76 -2.58 3.78 7.32 0.00 -0.72 -4.02 105.19 110.74 3a0t n GLY 691 Ca 0.03 -1.28 -0.34 0.00 0.00 0.00 0.00 46.02 44.42 3a0t n GLY 691 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3a0t s PRO 692 N -1.97 3.32 0.88 1.61 0.04 -1.26 -3.80 135.00 133.81 3a0t s PRO 692 Ca 0.00 1.43 -0.12 0.00 0.04 0.00 0.00 61.00 62.35 3a0t s PRO 692 Cb 0.00 -2.02 0.12 0.00 0.04 0.00 0.00 34.50 32.64 3a0t s PRO 692 CO 0.00 -0.84 1.11 -1.25 0.04 0.00 0.00 177.00 176.05 3a0t s PRO 693 N -3.61 1.43 -0.26 0.56 0.04 -1.26 -4.72 135.00 127.17 3a0t s PRO 693 Ca 0.69 0.54 -0.10 0.00 0.04 0.00 0.00 61.00 62.16 3a0t s PRO 693 Cb -0.20 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.44 3a0t s PRO 693 CO 0.31 -2.06 0.17 0.42 0.04 0.00 0.00 177.00 175.88 3a0t s ILE 694 N -3.13 5.25 0.62 0.56 1.01 -1.26 -5.09 121.20 119.16 3a0t s ILE 694 Ca 0.63 0.15 -0.17 0.00 0.00 0.00 0.00 60.65 61.25 3a0t s ILE 694 Cb -0.16 -3.47 -0.02 0.00 0.01 0.00 0.00 42.46 38.82 3a0t s ILE 694 CO 0.55 0.30 1.14 -2.16 0.00 0.00 0.00 174.94 174.77 3a0t s PRO 695 N 1.44 2.95 0.32 2.79 0.04 -1.26 -4.87 135.00 136.41 3a0t s PRO 695 Ca 0.07 1.56 0.08 0.00 0.04 0.00 0.00 61.00 62.75 3a0t s PRO 695 Cb -0.15 -1.95 0.81 0.00 0.04 0.00 0.00 34.50 33.25 3a0t s PRO 695 CO 0.08 -1.17 1.77 0.93 0.04 0.00 0.00 177.00 178.65 3a0t h GLU 696 N 0.51 0.67 0.00 4.56 4.39 -2.01 -0.52 114.58 122.18 3a0t h GLU 696 Ca -0.48 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.18 3a0t h GLU 696 Cb 1.26 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 3a0t h GLU 696 CO 0.55 0.44 0.00 -0.85 -1.16 0.00 0.00 179.01 177.99 3a0t n GLU 697 N -4.76 0.40 0.00 2.33 0.00 -1.26 -2.48 120.64 114.87 3a0t n GLU 697 Ca 0.24 0.07 0.03 0.00 0.00 0.00 0.00 57.16 57.49 3a0t n GLU 697 Cb 0.63 -1.50 0.01 0.00 0.00 0.00 0.00 31.44 30.59 3a0t n GLU 697 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3a0t n LEU 698 N -1.20 1.26 0.27 -1.84 4.77 -0.21 -4.66 117.00 115.39 3a0t n LEU 698 Ca 0.11 -0.92 0.14 0.00 -0.03 0.00 0.00 56.01 55.31 3a0t n LEU 698 Cb 0.13 0.00 0.76 0.00 -2.33 0.00 0.00 43.42 41.98 3a0t n LEU 698 CO 0.14 0.27 0.99 0.11 -1.33 0.00 0.00 177.39 177.57 3a0t h LYS 699 N 0.91 0.00 0.00 3.23 1.57 -1.38 -0.44 116.57 120.47 3a0t h LYS 699 Ca 0.00 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 58.39 3a0t h LYS 699 Cb 0.21 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.45 3a0t h LYS 699 CO 0.00 0.10 -2.46 0.39 -0.57 0.00 0.00 179.45 176.91 3a0t n GLU 700 N -3.56 0.66 -0.28 3.15 -0.58 -1.26 -4.54 120.64 114.23 3a0t n GLU 700 Ca -0.02 0.14 0.07 0.00 -0.42 0.00 0.00 57.16 56.94 3a0t n GLU 700 Cb 0.23 -1.53 0.30 0.00 -0.57 0.00 0.00 31.44 29.88 3a0t n GLU 700 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 3a0t h LYS 701 N 0.00 0.85 -0.06 3.49 3.64 -1.75 -1.25 116.57 121.49 3a0t h LYS 701 Ca -0.57 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 58.77 3a0t h LYS 701 Cb 1.93 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 33.56 3a0t h LYS 701 CO -0.08 0.56 0.12 -0.84 -2.27 0.00 0.00 179.45 176.95 3a0t h ILE 702 N 0.88 0.23 -0.01 2.00 3.07 -1.32 -1.11 117.51 121.25 3a0t h ILE 702 Ca 0.41 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.82 3a0t h ILE 702 Cb 0.41 0.89 0.00 0.00 -0.27 0.00 0.00 36.82 37.85 3a0t h ILE 702 CO -0.17 0.00 -0.13 0.49 -1.05 0.00 0.00 178.15 177.29 3a0t n PHE 703 N -3.39 0.00 -2.60 0.16 3.72 -0.47 -4.61 117.46 110.27 3a0t n PHE 703 Ca -0.01 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 56.98 3a0t n PHE 703 Cb 0.21 -0.10 -0.05 0.00 -0.94 0.00 0.00 39.48 38.60 3a0t n PHE 703 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 3a0t s SER 704 N -2.33 7.44 0.24 4.37 0.01 -0.42 -3.66 113.70 119.35 3a0t s SER 704 Ca 0.31 2.11 -0.31 0.00 1.31 0.00 0.00 55.95 59.36 3a0t s SER 704 Cb 0.20 -2.62 -0.12 0.00 0.21 0.00 0.00 66.02 63.69 3a0t s SER 704 CO 0.45 -0.01 1.65 -2.65 0.41 0.00 0.00 173.24 173.08 3a0t n PRO 705 N 1.43 2.65 -0.37 12.44 -0.02 -1.26 -2.10 135.00 147.76 3a0t n PRO 705 Ca -0.01 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 3a0t n PRO 705 Cb 0.46 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.18 3a0t n PRO 705 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3a0t n PHE 706 N 3.13 0.00 -2.32 6.00 3.72 0.48 -5.01 117.46 123.46 3a0t n PHE 706 Ca 0.13 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.11 3a0t n PHE 706 Cb 0.35 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.86 3a0t n PHE 706 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 3a0t s PHE 707 N -3.31 2.85 -0.05 1.38 5.36 -0.89 -4.58 117.98 118.74 3a0t s PHE 707 Ca 0.00 0.91 -0.14 0.00 -0.96 0.00 0.00 56.93 56.74 3a0t s PHE 707 Cb 0.00 -3.58 0.03 0.00 -0.34 0.00 0.00 43.02 39.13 3a0t s PHE 707 CO 0.00 -2.08 0.32 -0.08 -1.46 0.00 0.00 175.22 171.92 3a0t s THR 708 N 2.84 0.04 -1.73 0.12 -1.32 -1.26 -4.31 115.64 110.02 3a0t s THR 708 Ca 0.60 -0.34 0.18 0.00 -1.21 0.00 0.00 61.69 60.92 3a0t s THR 708 Cb -0.27 -0.58 0.46 0.00 -1.51 0.00 0.00 72.50 70.59 3a0t s THR 708 CO 0.22 -0.19 1.38 0.35 -2.21 0.00 0.00 174.62 174.17 3a0t n THR 709 N 1.71 0.82 -4.34 5.08 -2.24 -1.26 -5.00 114.28 109.05 3a0t n THR 709 Ca -0.19 -0.91 -0.35 0.00 -2.27 0.00 0.00 64.05 60.33 3a0t n THR 709 Cb 0.56 0.66 -0.10 0.00 -2.10 0.00 0.00 70.33 69.36 3a0t n THR 709 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3a0t s LYS 710 N -1.11 3.21 0.18 -0.78 1.02 -1.26 -5.04 119.74 115.96 3a0t s LYS 710 Ca 0.36 -0.42 -0.14 0.00 0.02 0.00 0.00 55.97 55.79 3a0t s LYS 710 Cb 0.20 -2.86 0.15 0.00 -0.52 0.00 0.00 37.83 34.80 3a0t s LYS 710 CO 0.26 0.58 1.71 1.15 -0.92 0.00 0.00 175.35 178.14 3a0t h THR 711 N 4.40 0.72 -0.64 2.17 2.02 -2.06 -0.94 112.91 118.58 3a0t h THR 711 Ca -0.46 -0.06 -0.29 0.00 0.77 0.00 0.00 66.41 66.37 3a0t h THR 711 Cb 1.19 0.52 -0.17 0.00 -1.74 0.00 0.00 68.15 67.95 3a0t h THR 711 CO 0.57 0.03 0.25 0.00 0.37 0.00 0.00 175.52 176.75 3a0t n GLN 712 N -5.14 2.47 -1.97 6.66 1.13 -1.26 -5.02 117.38 114.24 3a0t n GLN 712 Ca 0.04 -3.08 -0.41 0.00 -1.94 0.00 0.00 57.00 51.62 3a0t n GLN 712 Cb 0.22 -2.02 -0.01 0.00 0.11 0.00 0.00 30.24 28.54 3a0t n GLN 712 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 3a0t s GLY 713 N -1.76 2.97 0.21 1.08 0.00 -0.36 -4.94 107.32 104.52 3a0t s GLY 713 Ca 0.51 1.40 0.02 0.00 0.00 0.00 0.00 44.72 46.65 3a0t s GLY 713 CO 0.07 2.07 1.51 -0.91 0.00 0.00 0.00 173.10 175.84 3a0t h THR 714 N 3.01 1.39 -1.76 0.90 1.35 -1.95 -3.48 112.91 112.37 3a0t h THR 714 Ca -0.50 -2.06 -0.31 0.00 -0.55 0.00 0.00 66.41 62.99 3a0t h THR 714 Cb 1.23 2.05 -0.05 0.00 -1.73 0.00 0.00 68.15 69.65 3a0t h THR 714 CO 0.65 0.61 -0.36 0.61 -0.25 0.00 0.00 175.52 176.78 3a0t n GLY 715 N 0.39 0.29 0.00 5.82 0.00 -1.26 -4.21 105.19 106.23 3a0t n GLY 715 Ca -0.03 -0.25 0.04 0.00 0.00 0.00 0.00 46.02 45.78 3a0t n GLY 715 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3a0t n LEU 716 N -2.08 0.10 -0.12 0.99 4.77 -1.26 -0.39 117.00 119.00 3a0t n LEU 716 Ca -0.18 -0.13 -0.05 0.00 -0.03 0.00 0.00 56.01 55.63 3a0t n LEU 716 Cb 0.60 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.72 3a0t n LEU 716 CO 0.22 0.02 0.85 1.23 -1.33 0.00 0.00 177.39 178.38 3a0t h GLY 717 N 1.60 0.39 1.65 -0.72 0.00 -1.94 -1.36 103.07 102.69 3a0t h GLY 717 Ca 0.00 0.05 -0.21 0.00 0.00 0.00 0.00 47.33 47.18 3a0t h GLY 717 CO 0.00 -0.10 -1.12 1.41 0.00 0.00 0.00 176.54 176.73 3a0t h LEU 718 N 0.10 0.00 -0.68 3.11 3.38 -1.84 -1.56 115.31 117.82 3a0t h LEU 718 Ca 0.20 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.04 3a0t h LEU 718 Cb 0.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3a0t h LEU 718 CO -0.33 0.86 -0.31 0.77 0.09 0.00 0.00 178.44 179.52 3a0t h SER 719 N 0.00 0.70 -0.29 -0.43 4.64 -1.59 0.21 113.55 116.79 3a0t h SER 719 Ca -0.09 -0.28 -0.02 0.00 -0.47 0.00 0.00 61.79 60.92 3a0t h SER 719 Cb 1.74 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 63.62 3a0t h SER 719 CO 0.10 0.97 0.09 0.40 -0.87 0.00 0.00 176.83 177.51 3a0t h ILE 720 N 0.58 1.20 -0.36 0.95 2.04 -1.25 -1.36 117.51 119.32 3a0t h ILE 720 Ca 0.07 -0.65 0.07 0.00 1.00 0.00 0.00 64.86 65.34 3a0t h ILE 720 Cb 0.82 1.08 -0.06 0.00 -0.74 0.00 0.00 36.82 37.92 3a0t h ILE 720 CO 0.07 0.22 -0.02 0.00 0.00 0.00 0.00 178.15 178.41 3a0t h ARG 722 N 0.07 0.89 -0.53 0.00 2.43 -0.76 0.21 114.38 116.68 3a0t h ARG 722 Ca 0.17 -0.16 0.03 0.00 -0.81 0.00 0.00 59.98 59.20 3a0t h ARG 722 Cb 0.25 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.62 3a0t h ARG 722 CO -0.31 0.77 0.32 -0.22 -1.51 0.00 0.00 179.97 179.01 3a0t h LYS 723 N 0.83 0.61 -0.04 0.20 3.64 -0.97 0.10 116.57 120.93 3a0t h LYS 723 Ca 0.20 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 3a0t h LYS 723 Cb 0.21 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.89 3a0t h LYS 723 CO -0.02 0.41 -0.05 0.82 -2.27 0.00 0.00 179.45 178.34 3a0t h ILE 724 N 0.63 1.38 -0.07 2.00 2.04 -0.98 -1.12 117.51 121.39 3a0t h ILE 724 Ca 0.22 -1.21 -0.06 0.00 1.00 0.00 0.00 64.86 64.81 3a0t h ILE 724 Cb 0.03 2.09 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 3a0t h ILE 724 CO -0.10 0.33 -0.17 0.40 0.00 0.00 0.00 178.15 178.60 3a0t h ILE 725 N -0.35 1.42 0.00 -0.67 1.08 -0.89 -2.15 117.51 115.95 3a0t h ILE 725 Ca 0.01 -1.51 -0.13 0.00 -0.39 0.00 0.00 64.86 62.84 3a0t h ILE 725 Cb 0.55 2.22 -0.02 0.00 -3.07 0.00 0.00 36.82 36.50 3a0t h ILE 725 CO 0.01 0.42 -0.74 -0.33 -0.69 0.00 0.00 178.15 176.82 3a0t h GLU 726 N -0.24 0.00 0.01 2.37 5.08 -0.90 0.15 114.58 121.05 3a0t h GLU 726 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3a0t h GLU 726 Cb 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 3a0t h GLU 726 CO 0.04 0.96 -0.01 -0.44 -1.00 0.00 0.00 179.01 178.56 3a0t h ASP 727 N -1.00 -0.01 -0.21 1.42 3.32 -1.36 -2.42 116.42 116.16 3a0t h ASP 727 Ca -0.20 -0.80 -0.15 0.00 0.02 0.00 0.00 57.03 55.90 3a0t h ASP 727 Cb 1.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.70 3a0t h ASP 727 CO -0.12 0.85 -0.45 -0.08 -1.72 0.00 0.00 179.24 177.72 3a0t h GLU 728 N -0.93 0.67 -0.00 3.56 4.81 -1.16 -3.35 114.58 118.18 3a0t h GLU 728 Ca -0.00 -0.45 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 3a0t h GLU 728 Cb 0.81 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.25 3a0t h GLU 728 CO 0.00 1.07 -0.54 0.72 -0.73 0.00 0.00 179.01 179.52 3a0t n HIS 729 N -4.18 0.00 -1.62 0.92 8.25 -0.82 -4.98 115.22 112.79 3a0t n HIS 729 Ca -0.06 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.31 3a0t n HIS 729 Cb 0.57 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.65 3a0t n HIS 729 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3a0t n GLY 730 N 1.26 0.69 0.00 -1.41 0.00 -0.91 -4.48 105.19 100.34 3a0t n GLY 730 Ca 0.04 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.51 3a0t n GLY 730 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a0t n GLY 731 N -1.50 2.05 2.97 -0.02 0.00 0.50 -4.80 105.19 104.38 3a0t n GLY 731 Ca -0.10 -2.00 -0.13 0.00 0.00 0.00 0.00 46.02 43.78 3a0t n GLY 731 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a0t s LYS 732 N 3.20 0.32 -0.01 1.61 -0.14 -0.70 -4.30 119.74 119.72 3a0t s LYS 732 Ca 0.00 -0.36 0.01 0.00 -1.36 0.00 0.00 55.97 54.25 3a0t s LYS 732 Cb 0.00 -0.18 0.01 0.00 -1.68 0.00 0.00 37.83 35.98 3a0t s LYS 732 CO 0.00 0.04 -0.01 -1.50 -0.76 0.00 0.00 175.35 173.11 3a0t s ILE 733 N -0.66 0.19 0.31 2.17 2.07 -1.26 -1.26 121.20 122.75 3a0t s ILE 733 Ca -0.05 -0.03 -0.12 0.00 -1.41 0.00 0.00 60.65 59.04 3a0t s ILE 733 Cb -0.05 -0.21 0.01 0.00 0.13 0.00 0.00 42.46 42.34 3a0t s ILE 733 CO -0.00 0.09 0.57 -1.66 -1.91 0.00 0.00 174.94 172.03 3a0t s TRP 734 N 0.37 0.43 0.06 3.50 -2.14 -0.39 -5.01 118.94 115.76 3a0t s TRP 734 Ca -0.03 -0.84 0.07 0.00 2.66 0.00 0.00 56.10 57.95 3a0t s TRP 734 Cb -0.06 0.32 -0.03 0.00 -3.10 0.00 0.00 33.47 30.60 3a0t s TRP 734 CO -0.01 -1.19 -0.18 -0.08 -2.66 0.00 0.00 176.95 172.83 3a0t s THR 735 N -3.38 1.47 0.10 0.66 -1.32 -1.26 -1.30 115.64 110.60 3a0t s THR 735 Ca 0.22 -1.23 0.04 0.00 -1.21 0.00 0.00 61.69 59.50 3a0t s THR 735 Cb -0.02 -1.31 -0.04 0.00 -1.51 0.00 0.00 72.50 69.62 3a0t s THR 735 CO 0.12 0.04 -0.10 -1.61 -2.21 0.00 0.00 174.62 170.86 3a0t s GLU 736 N -1.39 0.85 -0.20 7.08 2.02 -0.48 -5.01 118.70 121.57 3a0t s GLU 736 Ca 0.05 -1.15 -0.17 0.00 0.02 0.00 0.00 54.97 53.72 3a0t s GLU 736 Cb -0.09 -0.56 -0.04 0.00 0.10 0.00 0.00 34.13 33.54 3a0t s GLU 736 CO 0.02 0.09 0.45 -0.80 0.02 0.00 0.00 175.26 175.04 3a0t s ASN 737 N -2.40 6.49 -0.05 -0.19 0.01 -1.26 -0.85 114.94 116.68 3a0t s ASN 737 Ca 0.05 0.58 -0.02 0.00 -0.71 0.00 0.00 52.86 52.76 3a0t s ASN 737 Cb -0.03 -2.26 0.04 0.00 0.41 0.00 0.00 41.25 39.41 3a0t s ASN 737 CO 0.00 -0.12 0.11 -0.13 -1.51 0.00 0.00 177.10 175.45 3a0t s ARG 738 N 1.45 0.04 6.04 -0.60 1.81 -0.39 -4.97 118.95 122.33 3a0t s ARG 738 Ca 0.21 0.32 0.00 0.00 -1.72 0.00 0.00 55.73 54.54 3a0t s ARG 738 Cb -0.15 -0.21 0.00 0.00 -0.45 0.00 0.00 34.95 34.14 3a0t s ARG 738 CO 0.09 -0.17 0.00 0.39 -0.68 0.00 0.00 175.30 174.92 3a0t n GLU 739 N 4.26 0.00 -1.55 3.54 -0.58 -1.26 -1.83 120.64 123.22 3a0t n GLU 739 Ca -0.26 0.00 -0.36 0.00 -0.42 0.00 0.00 57.16 56.12 3a0t n GLU 739 Cb 0.51 0.00 0.06 0.00 -0.57 0.00 0.00 31.44 31.44 3a0t n GLU 739 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 3a0t n ASN 740 N 2.76 7.52 -0.05 1.62 6.94 -1.26 -4.95 115.26 127.84 3a0t n ASN 740 Ca 0.00 -3.80 0.00 0.00 -0.02 0.00 0.00 54.58 50.76 3a0t n ASN 740 Cb 0.00 -0.98 0.00 0.00 -2.36 0.00 0.00 39.78 36.44 3a0t n ASN 740 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3a0t n GLY 741 N -0.79 2.10 2.96 4.83 0.00 -0.76 -1.75 105.19 111.78 3a0t n GLY 741 Ca 0.59 -0.71 -0.20 0.00 0.00 0.00 0.00 46.02 45.71 3a0t n GLY 741 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a0t s VAL 742 N -2.62 0.67 -0.08 1.61 1.01 -0.16 -1.27 120.40 119.56 3a0t s VAL 742 Ca 0.00 -0.28 0.03 0.00 0.00 0.00 0.00 61.98 61.74 3a0t s VAL 742 Cb 0.00 -0.61 -0.02 0.00 0.00 0.00 0.00 36.38 35.75 3a0t s VAL 742 CO 0.00 0.22 -0.18 0.54 0.00 0.00 0.00 175.10 175.69 3a0t s VAL 743 N 0.36 2.69 -0.20 2.92 0.11 -0.03 -1.18 120.40 125.07 3a0t s VAL 743 Ca -0.05 -0.83 -0.07 0.00 -2.93 0.00 0.00 61.98 58.10 3a0t s VAL 743 Cb -0.09 -2.06 -0.04 0.00 -1.53 0.00 0.00 36.38 32.66 3a0t s VAL 743 CO 0.00 0.56 0.06 -0.36 -3.33 0.00 0.00 175.10 172.03 3a0t s PHE 744 N -0.14 3.18 -0.08 1.54 0.40 -0.16 -1.39 117.98 121.33 3a0t s PHE 744 Ca -0.02 -0.10 0.04 0.00 -0.60 0.00 0.00 56.93 56.26 3a0t s PHE 744 Cb -0.14 -2.11 -0.01 0.00 0.51 0.00 0.00 43.02 41.27 3a0t s PHE 744 CO 0.04 -0.01 -0.22 0.42 0.70 0.00 0.00 175.22 176.15 3a0t s ILE 745 N 0.73 2.28 0.10 0.64 1.01 -0.42 -0.32 121.20 125.22 3a0t s ILE 745 Ca 0.03 -0.97 0.07 0.00 0.00 0.00 0.00 60.65 59.78 3a0t s ILE 745 Cb -0.13 -1.86 -0.03 0.00 0.01 0.00 0.00 42.46 40.44 3a0t s ILE 745 CO 0.02 0.56 -0.19 0.72 0.00 0.00 0.00 174.94 176.06 3a0t s PHE 746 N -0.00 1.64 -0.04 3.97 -0.12 -0.21 -1.26 117.98 121.95 3a0t s PHE 746 Ca -0.07 -0.44 0.04 0.00 -0.05 0.00 0.00 56.93 56.40 3a0t s PHE 746 Cb -0.15 -0.89 -0.00 0.00 -0.63 0.00 0.00 43.02 41.35 3a0t s PHE 746 CO 0.05 0.18 -0.14 -1.21 -0.05 0.00 0.00 175.22 174.05 3a0t s GLU 747 N -2.01 1.47 0.11 1.99 2.02 -0.39 -0.67 118.70 121.22 3a0t s GLU 747 Ca 0.06 -0.50 0.06 0.00 0.02 0.00 0.00 54.97 54.61 3a0t s GLU 747 Cb -0.09 -1.31 -0.04 0.00 0.10 0.00 0.00 34.13 32.79 3a0t s GLU 747 CO 0.04 0.20 -0.16 0.96 0.02 0.00 0.00 175.26 176.32 3a0t s ILE 748 N 0.09 1.41 0.54 -1.63 -4.36 -0.88 -1.72 121.20 114.64 3a0t s ILE 748 Ca -0.03 -1.60 -0.21 0.00 -0.26 0.00 0.00 60.65 58.55 3a0t s ILE 748 Cb -0.10 -1.45 -0.05 0.00 1.25 0.00 0.00 42.46 42.11 3a0t s ILE 748 CO 0.01 -0.28 1.28 -2.16 0.24 0.00 0.00 174.94 174.03 3a0t s PRO 749 N -2.28 3.23 0.35 0.37 0.04 -1.26 -1.14 135.00 134.31 3a0t s PRO 749 Ca 0.06 2.03 0.05 0.00 0.04 0.00 0.00 61.00 63.19 3a0t s PRO 749 Cb -0.07 -2.21 0.67 0.00 0.04 0.00 0.00 34.50 32.92 3a0t s PRO 749 CO 0.03 -1.05 1.91 0.87 0.04 0.00 0.00 177.00 178.80 3a0t h LYS 750 N 1.45 0.49 -4.41 4.56 1.57 -1.67 -3.43 116.57 115.13 3a0t h LYS 750 Ca -0.50 -0.09 -0.33 0.00 -1.87 0.00 0.00 60.65 57.85 3a0t h LYS 750 Cb 1.29 -0.08 -0.28 0.00 0.08 0.00 0.00 32.23 33.25 3a0t h LYS 750 CO 0.57 0.50 -0.76 0.95 -0.57 0.00 0.00 179.45 180.15 3a0t s THR 751 N -5.01 0.48 0.40 -0.16 -4.23 -1.26 0.06 115.64 105.92 3a0t s THR 751 Ca -0.07 -0.36 -0.26 0.00 -1.18 0.00 0.00 61.69 59.81 3a0t s THR 751 Cb 0.16 -0.43 -0.11 0.00 1.34 0.00 0.00 72.50 73.47 3a0t s THR 751 CO 0.76 0.07 1.28 -2.65 -0.54 0.00 0.00 174.62 173.53 3a0t n PRO 752 N 2.74 1.99 -2.58 3.99 -0.02 -1.26 -4.83 135.00 135.03 3a0t n PRO 752 Ca -0.14 0.71 -0.43 0.00 -2.02 0.00 0.00 63.50 61.62 3a0t n PRO 752 Cb 0.58 -2.37 -0.02 0.00 -0.02 0.00 0.00 33.50 31.66 3a0t n PRO 752 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3a0t s GLU 753 N -2.11 4.36 0.22 -0.52 2.02 -1.26 -4.96 118.70 116.45 3a0t s GLU 753 Ca 0.59 1.51 -0.32 0.00 0.02 0.00 0.00 54.97 56.77 3a0t s GLU 753 Cb -0.52 -3.58 -0.12 0.00 0.10 0.00 0.00 34.13 30.01 3a0t s GLU 753 CO 0.59 -0.44 1.70 0.21 0.02 0.00 0.00 175.26 177.34 3a0t s LYS 754 N 2.38 4.13 0.00 1.61 2.47 -1.26 -5.20 119.74 123.86 3a0t s LYS 754 Ca 0.51 2.60 0.27 0.00 -1.56 0.00 0.00 55.97 57.79 3a0t s LYS 754 Cb -0.20 -3.07 0.87 0.00 -1.46 0.00 0.00 37.83 33.97 3a0t s LYS 754 CO 0.17 -0.73 1.64 0.54 0.16 0.00 0.00 175.35 177.14