#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nf2 s TYR 602 N 0.00 3.55 0.00 1.12 2.02 -0.55 -4.48 117.35 119.01 1nf2 s TYR 602 Ca 0.00 0.48 0.00 0.00 -0.37 0.00 0.00 57.07 57.18 1nf2 s TYR 602 Cb 0.00 -2.00 0.00 0.00 -0.40 0.00 0.00 41.96 39.56 1nf2 s TYR 602 CO 0.00 0.62 0.06 0.54 -1.57 0.00 0.00 175.55 175.20 1nf2 n ARG 603 N 2.39 2.15 -4.81 -0.62 1.74 -0.72 -3.23 116.66 113.56 1nf2 n ARG 603 Ca -0.19 -0.06 -0.28 0.00 -0.77 0.00 0.00 57.85 56.54 1nf2 n ARG 603 Cb 0.54 -0.37 -0.17 0.00 -1.02 0.00 0.00 32.46 31.45 1nf2 n ARG 603 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1nf2 s VAL 604 N -0.33 1.57 -0.21 1.55 1.01 -0.89 -2.17 120.40 120.94 1nf2 s VAL 604 Ca 0.00 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.26 1nf2 s VAL 604 Cb 0.00 -1.40 0.04 0.00 0.00 0.00 0.00 36.38 35.03 1nf2 s VAL 604 CO 0.00 0.45 -0.10 -0.36 0.00 0.00 0.00 175.10 175.09 1nf2 s PHE 605 N 0.59 2.51 -0.21 5.22 0.08 -0.13 -1.87 117.98 124.17 1nf2 s PHE 605 Ca -0.15 -1.67 -0.08 0.00 0.12 0.00 0.00 56.93 55.15 1nf2 s PHE 605 Cb -0.17 -1.67 -0.04 0.00 -0.57 0.00 0.00 43.02 40.57 1nf2 s PHE 605 CO 0.05 -0.76 0.08 0.08 -0.10 0.00 0.00 175.22 174.56 1nf2 s VAL 606 N 1.36 4.72 -0.05 -0.44 1.01 0.11 -0.49 120.40 126.61 1nf2 s VAL 606 Ca -0.02 -0.05 0.05 0.00 0.00 0.00 0.00 61.98 61.96 1nf2 s VAL 606 Cb -0.17 -3.16 -0.00 0.00 0.00 0.00 0.00 36.38 33.05 1nf2 s VAL 606 CO -0.08 0.41 -0.20 -0.36 0.00 0.00 0.00 175.10 174.87 1nf2 s PHE 607 N 0.83 1.96 0.39 5.22 0.08 0.23 -1.10 117.98 125.57 1nf2 s PHE 607 Ca 0.04 -0.59 -0.17 0.00 0.12 0.00 0.00 56.93 56.32 1nf2 s PHE 607 Cb -0.13 -1.31 -0.10 0.00 -0.57 0.00 0.00 43.02 40.91 1nf2 s PHE 607 CO 0.02 -0.20 0.84 0.34 -0.10 0.00 0.00 175.22 176.13 1nf2 s ASP 608 N 0.03 6.81 0.00 1.36 3.68 -1.10 -0.27 116.67 127.19 1nf2 s ASP 608 Ca -0.05 1.46 0.00 0.00 2.13 0.00 0.00 52.55 56.09 1nf2 s ASP 608 Cb -0.13 -2.45 0.00 0.00 -1.45 0.00 0.00 42.92 38.89 1nf2 s ASP 608 CO 0.03 -0.31 0.00 -0.11 0.13 0.00 0.00 175.17 174.91 1nf2 n LEU 609 N -0.63 2.03 -4.63 -1.34 7.94 -1.10 -2.36 117.00 116.92 1nf2 n LEU 609 Ca 0.05 0.04 -0.44 0.00 -1.11 0.00 0.00 56.01 54.55 1nf2 n LEU 609 Cb 0.54 -0.06 -0.02 0.00 0.53 0.00 0.00 43.42 44.42 1nf2 n LEU 609 CO 0.40 -0.06 0.71 0.47 -1.11 0.00 0.00 177.39 177.81 1nf2 n ASP 610 N -0.89 1.84 0.00 1.96 8.00 -1.26 -1.28 116.55 124.92 1nf2 n ASP 610 Ca 0.00 1.18 0.00 0.00 0.71 0.00 0.00 54.79 56.68 1nf2 n ASP 610 Cb 0.00 -1.35 0.00 0.00 -0.02 0.00 0.00 41.12 39.75 1nf2 n ASP 610 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nf2 n GLY 611 N 1.21 0.12 0.73 0.44 0.00 -1.25 -4.67 105.19 101.78 1nf2 n GLY 611 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1nf2 n GLY 611 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1nf2 n THR 612 N -2.03 0.00 0.10 2.61 -1.04 -0.61 -4.58 114.28 108.74 1nf2 n THR 612 Ca 0.00 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.82 1nf2 n THR 612 Cb 0.09 -0.40 -0.15 0.00 -1.82 0.00 0.00 70.33 68.05 1nf2 n THR 612 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1nf2 h LEU 613 N 0.00 0.53 -9.66 -4.42 6.46 -0.80 -3.41 115.31 104.01 1nf2 h LEU 613 Ca 0.00 -0.61 -0.54 0.00 -0.12 0.00 0.00 57.88 56.61 1nf2 h LEU 613 Cb 0.00 -0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 39.72 1nf2 h LEU 613 CO 0.00 1.48 0.12 -0.76 -0.62 0.00 0.00 178.44 178.67 1nf2 s LEU 614 N -7.23 4.54 0.00 2.25 1.43 -0.63 -4.52 118.68 114.53 1nf2 s LEU 614 Ca -0.07 1.50 -0.04 0.00 -1.03 0.00 0.00 54.13 54.48 1nf2 s LEU 614 Cb 0.06 -3.18 0.07 0.00 0.03 0.00 0.00 46.19 43.17 1nf2 s LEU 614 CO 0.89 0.17 0.43 -0.46 0.23 0.00 0.00 176.35 177.61 1nf2 n ASN 615 N 1.97 0.13 0.00 2.29 2.04 -0.17 -3.82 115.26 117.70 1nf2 n ASN 615 Ca -0.06 -1.21 0.08 0.00 -0.44 0.00 0.00 54.58 52.95 1nf2 n ASN 615 Cb 0.50 -0.32 0.45 0.00 -2.53 0.00 0.00 39.78 37.88 1nf2 n ASN 615 CO 0.00 0.00 0.00 0.47 -0.44 0.00 0.00 177.26 177.29 1nf2 n ASP 616 N -3.22 0.00 -0.81 0.53 8.00 -1.26 -1.05 116.55 118.73 1nf2 n ASP 616 Ca 0.06 -0.32 0.07 0.00 0.71 0.00 0.00 54.79 55.31 1nf2 n ASP 616 Cb 0.20 -0.10 0.20 0.00 -0.02 0.00 0.00 41.12 41.40 1nf2 n ASP 616 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1nf2 n ASN 617 N -1.10 3.21 -2.31 -2.24 3.02 -1.26 -4.97 115.26 109.62 1nf2 n ASN 617 Ca 0.11 -2.04 -0.16 0.00 -0.03 0.00 0.00 54.58 52.46 1nf2 n ASN 617 Cb 0.08 -0.30 0.04 0.00 -0.61 0.00 0.00 39.78 38.98 1nf2 n ASN 617 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1nf2 n LEU 618 N 0.73 -2.55 -4.24 3.41 4.77 -0.22 -5.04 117.00 113.86 1nf2 n LEU 618 Ca 0.15 -0.26 -0.15 0.00 -0.03 0.00 0.00 56.01 55.72 1nf2 n LEU 618 Cb 0.49 -2.21 -0.10 0.00 -2.33 0.00 0.00 43.42 39.27 1nf2 n LEU 618 CO 0.10 0.26 -0.42 -1.83 -1.33 0.00 0.00 177.39 174.18 1nf2 s GLU 619 N -5.53 1.04 -0.21 3.23 -1.05 -1.26 -4.82 118.70 110.09 1nf2 s GLU 619 Ca 0.28 -1.38 -0.15 0.00 -0.15 0.00 0.00 54.97 53.57 1nf2 s GLU 619 Cb -0.12 -0.68 -0.04 0.00 -0.44 0.00 0.00 34.13 32.84 1nf2 s GLU 619 CO 0.34 0.10 0.35 0.42 0.95 0.00 0.00 175.26 177.42 1nf2 s ILE 620 N -2.98 5.23 0.81 1.83 1.01 -1.26 -1.00 121.20 124.84 1nf2 s ILE 620 Ca 0.14 0.59 -0.14 0.00 0.00 0.00 0.00 60.65 61.24 1nf2 s ILE 620 Cb 0.00 -3.68 0.06 0.00 0.01 0.00 0.00 42.46 38.85 1nf2 s ILE 620 CO 0.01 0.27 1.01 -1.54 0.00 0.00 0.00 174.94 174.68 1nf2 n SER 621 N 4.48 0.33 -0.21 3.58 3.41 -1.26 -4.78 113.62 119.17 1nf2 n SER 621 Ca -0.10 0.56 -0.06 0.00 -0.26 0.00 0.00 58.87 59.02 1nf2 n SER 621 Cb 0.51 -1.43 0.10 0.00 -0.26 0.00 0.00 64.21 63.14 1nf2 n SER 621 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1nf2 h GLU 622 N -0.90 1.03 -0.03 4.33 4.39 -1.99 -1.45 114.58 119.96 1nf2 h GLU 622 Ca -0.46 -0.23 -0.00 0.00 0.34 0.00 0.00 59.36 59.01 1nf2 h GLU 622 Cb 1.31 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 29.81 1nf2 h GLU 622 CO 0.44 0.91 0.02 -0.22 -1.16 0.00 0.00 179.01 179.00 1nf2 h LYS 623 N 0.98 0.04 -0.62 2.33 3.64 -1.99 0.40 116.57 121.35 1nf2 h LYS 623 Ca 0.21 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.60 1nf2 h LYS 623 Cb 0.34 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.12 1nf2 h LYS 623 CO 0.00 0.09 0.40 -0.44 -2.27 0.00 0.00 179.45 177.24 1nf2 h ASP 624 N -0.02 0.68 -0.14 4.20 3.32 -1.89 -1.36 116.42 121.21 1nf2 h ASP 624 Ca 0.01 -0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.07 1nf2 h ASP 624 Cb 0.06 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 1nf2 h ASP 624 CO -0.00 0.49 0.02 -0.09 -1.72 0.00 0.00 179.24 177.94 1nf2 h ARG 625 N 0.81 0.07 -0.30 3.56 2.43 -0.94 -0.55 114.38 119.47 1nf2 h ARG 625 Ca 0.24 -0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.44 1nf2 h ARG 625 Cb -0.05 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.44 1nf2 h ARG 625 CO -0.07 0.05 0.06 0.00 -1.51 0.00 0.00 179.97 178.50 1nf2 h ARG 626 N 0.07 0.17 -0.30 0.20 3.08 -0.57 -0.23 114.38 116.81 1nf2 h ARG 626 Ca 0.06 -0.01 -0.08 0.00 0.07 0.00 0.00 59.98 60.02 1nf2 h ARG 626 Cb 0.06 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 1nf2 h ARG 626 CO -0.10 0.11 -0.16 -0.91 -1.07 0.00 0.00 179.97 177.84 1nf2 h ASN 627 N 0.17 0.51 -0.33 7.04 2.35 -1.00 -1.31 115.58 123.01 1nf2 h ASN 627 Ca 0.14 -0.15 -0.15 0.00 -0.55 0.00 0.00 56.30 55.59 1nf2 h ASN 627 Cb 0.14 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 1nf2 h ASN 627 CO -0.18 0.70 -0.38 0.40 -1.65 0.00 0.00 177.43 176.32 1nf2 h ILE 628 N 0.48 1.28 -0.49 2.81 5.03 -0.80 -2.78 117.51 123.04 1nf2 h ILE 628 Ca 0.08 -1.55 0.04 0.00 -0.12 0.00 0.00 64.86 63.31 1nf2 h ILE 628 Cb 0.56 1.50 -0.04 0.00 -3.03 0.00 0.00 36.82 35.81 1nf2 h ILE 628 CO 0.04 0.51 0.26 -0.33 -0.68 0.00 0.00 178.15 177.94 1nf2 h GLU 629 N 0.63 0.49 -0.69 2.37 4.39 -0.70 0.16 114.58 121.24 1nf2 h GLU 629 Ca 0.05 -0.03 0.03 0.00 0.34 0.00 0.00 59.36 59.75 1nf2 h GLU 629 Cb 0.97 -0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 29.46 1nf2 h GLU 629 CO 0.09 0.33 0.42 0.87 -1.16 0.00 0.00 179.01 179.56 1nf2 h LYS 630 N 0.51 0.80 -0.27 2.33 1.57 -1.20 -2.94 116.57 117.36 1nf2 h LYS 630 Ca 0.21 -0.05 -0.17 0.00 -1.87 0.00 0.00 60.65 58.77 1nf2 h LYS 630 Cb 0.10 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.22 1nf2 h LYS 630 CO -0.13 0.53 -0.50 -0.07 -0.57 0.00 0.00 179.45 178.70 1nf2 h LEU 631 N 0.83 0.85 -1.66 2.94 3.38 -1.14 -3.09 115.31 117.41 1nf2 h LEU 631 Ca 0.28 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1nf2 h LEU 631 Cb 0.04 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.55 1nf2 h LEU 631 CO -0.11 1.20 0.24 0.77 0.09 0.00 0.00 178.44 180.63 1nf2 h SER 632 N 0.60 0.00 -3.58 -0.43 4.64 -0.79 -2.84 113.55 111.15 1nf2 h SER 632 Ca 0.02 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.76 1nf2 h SER 632 Cb 1.08 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.08 1nf2 h SER 632 CO 0.11 0.00 0.70 -0.60 -0.87 0.00 0.00 176.83 176.17 1nf2 s ARG 633 N -3.78 3.55 0.00 4.77 6.06 -1.17 -3.94 118.95 124.44 1nf2 s ARG 633 Ca -0.03 0.21 0.00 0.00 -2.50 0.00 0.00 55.73 53.41 1nf2 s ARG 633 Cb 0.07 -3.95 0.00 0.00 0.06 0.00 0.00 34.95 31.14 1nf2 s ARG 633 CO 0.23 -1.34 0.00 1.17 -2.50 0.00 0.00 175.30 172.86 1nf2 n LYS 634 N 7.48 0.00 -4.08 5.12 4.81 -1.26 -4.54 118.16 125.69 1nf2 n LYS 634 Ca 0.07 0.00 -0.25 0.00 -0.87 0.00 0.00 58.31 57.26 1nf2 n LYS 634 Cb 0.49 -0.39 -0.06 0.00 0.02 0.00 0.00 35.03 35.08 1nf2 n LYS 634 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1nf2 s TYR 636 N -2.61 3.31 -0.09 0.00 2.02 -0.92 -4.48 117.35 114.57 1nf2 s TYR 636 Ca 0.40 0.19 0.02 0.00 -0.37 0.00 0.00 57.07 57.30 1nf2 s TYR 636 Cb 0.03 -2.21 -0.02 0.00 -0.40 0.00 0.00 41.96 39.36 1nf2 s TYR 636 CO 0.22 0.11 -0.14 0.08 -1.57 0.00 0.00 175.55 174.25 1nf2 s VAL 637 N 0.81 2.99 -0.05 0.71 1.01 -1.26 -0.96 120.40 123.66 1nf2 s VAL 637 Ca 0.07 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.37 1nf2 s VAL 637 Cb -0.13 -2.21 -0.00 0.00 0.00 0.00 0.00 36.38 34.04 1nf2 s VAL 637 CO 0.02 0.56 -0.17 -0.69 0.00 0.00 0.00 175.10 174.82 1nf2 s VAL 638 N -0.12 1.42 -0.17 2.92 1.01 0.35 -3.79 120.40 122.03 1nf2 s VAL 638 Ca -0.01 -0.70 -0.05 0.00 0.00 0.00 0.00 61.98 61.22 1nf2 s VAL 638 Cb -0.14 -1.23 -0.03 0.00 0.00 0.00 0.00 36.38 34.98 1nf2 s VAL 638 CO 0.04 0.41 -0.00 -0.36 0.00 0.00 0.00 175.10 175.19 1nf2 s PHE 639 N 0.16 3.11 -0.17 5.22 0.40 -0.91 -0.60 117.98 125.18 1nf2 s PHE 639 Ca -0.07 -0.17 0.01 0.00 -0.60 0.00 0.00 56.93 56.11 1nf2 s PHE 639 Cb -0.13 -2.00 0.02 0.00 0.51 0.00 0.00 43.02 41.42 1nf2 s PHE 639 CO 0.03 0.03 -0.20 0.00 0.70 0.00 0.00 175.22 175.78 1nf2 s ALA 640 N 0.37 2.33 0.12 5.36 0.00 0.63 0.22 121.76 130.79 1nf2 s ALA 640 Ca -0.02 -1.19 0.00 0.00 0.00 0.00 0.00 51.96 50.75 1nf2 s ALA 640 Cb -0.14 -1.16 -0.04 0.00 0.00 0.00 0.00 23.12 21.78 1nf2 s ALA 640 CO 0.02 -0.29 0.00 0.45 0.00 0.00 0.00 175.76 175.95 1nf2 s SER 641 N 1.20 0.73 0.00 0.00 0.15 0.11 -2.70 113.70 113.18 1nf2 s SER 641 Ca 0.03 -1.12 0.23 0.00 0.70 0.00 0.00 55.95 55.79 1nf2 s SER 641 Cb -0.14 0.20 0.14 0.00 -1.71 0.00 0.00 66.02 64.51 1nf2 s SER 641 CO -0.10 -0.62 1.17 0.61 1.20 0.00 0.00 173.24 175.50 1nf2 n GLY 642 N -0.08 -0.35 3.83 9.45 0.00 -1.26 -1.02 105.19 115.75 1nf2 n GLY 642 Ca -0.09 -0.57 -0.29 0.00 0.00 0.00 0.00 46.02 45.07 1nf2 n GLY 642 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nf2 s ARG 643 N -2.61 1.17 0.97 1.61 0.52 -1.26 -4.01 118.95 115.35 1nf2 s ARG 643 Ca 0.17 0.12 -0.11 0.00 -0.52 0.00 0.00 55.73 55.39 1nf2 s ARG 643 Cb 0.18 -1.86 0.18 0.00 0.52 0.00 0.00 34.95 33.97 1nf2 s ARG 643 CO 0.62 -2.14 1.11 -1.64 0.02 0.00 0.00 175.30 173.27 1nf2 s MET 644 N -5.46 0.57 0.06 3.54 -1.94 -1.26 -1.09 119.30 113.71 1nf2 s MET 644 Ca 0.65 1.28 -0.22 0.00 -1.71 0.00 0.00 55.69 55.69 1nf2 s MET 644 Cb -0.12 -1.70 -0.13 0.00 2.01 0.00 0.00 34.83 34.89 1nf2 s MET 644 CO 0.52 -2.85 1.51 1.25 -0.01 0.00 0.00 175.02 175.45 1nf2 h LEU 645 N -2.01 0.18 -0.31 -0.03 6.46 -1.94 -2.77 115.31 114.88 1nf2 h LEU 645 Ca -0.49 -0.27 0.07 0.00 -0.12 0.00 0.00 57.88 57.07 1nf2 h LEU 645 Cb 1.28 -0.05 -0.06 0.00 -0.73 0.00 0.00 40.66 41.10 1nf2 h LEU 645 CO 0.46 0.40 -0.12 0.58 -0.62 0.00 0.00 178.44 179.14 1nf2 h VAL 646 N -0.05 0.60 -0.57 1.05 2.07 -1.92 -0.04 116.25 117.39 1nf2 h VAL 646 Ca 0.03 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.63 1nf2 h VAL 646 Cb 0.30 0.60 -0.06 0.00 -1.52 0.00 0.00 31.29 30.61 1nf2 h VAL 646 CO 0.00 0.00 0.24 0.28 0.02 0.00 0.00 177.57 178.11 1nf2 h SER 647 N -0.06 0.29 -0.14 0.57 0.02 -1.93 0.90 113.55 113.19 1nf2 h SER 647 Ca 0.16 0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 61.15 1nf2 h SER 647 Cb 0.30 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 1nf2 h SER 647 CO -0.35 0.18 0.03 0.74 -1.14 0.00 0.00 176.83 176.29 1nf2 h THR 648 N 0.45 1.21 -0.58 -2.27 2.02 -1.09 -2.50 112.91 110.16 1nf2 h THR 648 Ca 0.28 -0.67 -0.01 0.00 0.77 0.00 0.00 66.41 66.77 1nf2 h THR 648 Cb 0.28 1.38 -0.03 0.00 -1.74 0.00 0.00 68.15 68.04 1nf2 h THR 648 CO -0.25 0.20 0.30 -0.07 0.37 0.00 0.00 175.52 176.07 1nf2 h LEU 649 N 0.03 0.71 -1.14 2.58 3.38 -0.59 -1.74 115.31 118.54 1nf2 h LEU 649 Ca 0.04 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1nf2 h LEU 649 Cb 0.28 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1nf2 h LEU 649 CO 0.00 0.58 -0.06 0.78 0.09 0.00 0.00 178.44 179.84 1nf2 h ASN 650 N 0.80 0.51 -0.40 -0.43 2.35 -0.69 0.84 115.58 118.56 1nf2 h ASN 650 Ca 0.20 -0.11 -0.09 0.00 -0.55 0.00 0.00 56.30 55.75 1nf2 h ASN 650 Cb 0.04 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 1nf2 h ASN 650 CO -0.03 0.62 -0.11 0.58 -1.65 0.00 0.00 177.43 176.84 1nf2 h VAL 651 N 0.50 1.28 -0.44 2.81 2.07 -0.88 -0.23 116.25 121.35 1nf2 h VAL 651 Ca 0.10 -1.21 -0.00 0.00 0.82 0.00 0.00 66.70 66.41 1nf2 h VAL 651 Cb 0.41 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 1nf2 h VAL 651 CO 0.02 0.41 0.27 -0.33 0.02 0.00 0.00 177.57 177.95 1nf2 h GLU 652 N 0.59 0.60 -0.09 1.57 5.08 -0.77 -2.52 114.58 119.05 1nf2 h GLU 652 Ca 0.10 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.29 1nf2 h GLU 652 Cb 0.64 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1nf2 h GLU 652 CO 0.04 0.45 -0.46 0.87 -1.00 0.00 0.00 179.01 178.90 1nf2 h LYS 653 N 0.59 0.21 -0.22 2.33 1.57 -0.73 0.83 116.57 121.15 1nf2 h LYS 653 Ca 0.16 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 1nf2 h LYS 653 Cb -0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1nf2 h LYS 653 CO -0.03 0.63 0.07 -0.22 -0.57 0.00 0.00 179.45 179.33 1nf2 h LYS 654 N 0.17 0.34 0.00 3.15 3.64 -0.75 -3.30 116.57 119.81 1nf2 h LYS 654 Ca 0.01 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.27 1nf2 h LYS 654 Cb 0.89 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.65 1nf2 h LYS 654 CO 0.07 0.43 -1.35 0.66 -2.27 0.00 0.00 179.45 176.99 1nf2 n TYR 655 N -4.78 0.73 -4.01 1.91 4.01 -0.97 -4.83 117.16 109.21 1nf2 n TYR 655 Ca -0.04 0.22 -0.15 0.00 -0.16 0.00 0.00 57.90 57.77 1nf2 n TYR 655 Cb 0.15 -0.89 -0.15 0.00 -0.31 0.00 0.00 39.34 38.15 1nf2 n TYR 655 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 1nf2 s PHE 656 N -3.28 0.29 -0.85 -0.72 0.40 0.28 -5.05 117.98 109.04 1nf2 s PHE 656 Ca -0.03 -0.04 -0.06 0.00 -0.60 0.00 0.00 56.93 56.20 1nf2 s PHE 656 Cb 0.10 -0.25 -0.02 0.00 0.51 0.00 0.00 43.02 43.37 1nf2 s PHE 656 CO 0.82 -0.04 2.86 1.63 0.70 0.00 0.00 175.22 181.19 1nf2 n LYS 657 N 3.36 3.25 -3.87 0.44 4.01 -1.25 -2.92 118.16 121.18 1nf2 n LYS 657 Ca -0.17 -2.39 -0.02 0.00 -0.51 0.00 0.00 58.31 55.22 1nf2 n LYS 657 Cb 0.56 -2.39 0.01 0.00 -0.51 0.00 0.00 35.03 32.71 1nf2 n LYS 657 CO 0.00 0.00 0.00 -0.98 -1.11 0.00 0.00 177.40 175.31 1nf2 s ARG 658 N -0.26 1.12 0.36 1.97 1.70 -1.26 -5.02 118.95 117.56 1nf2 s ARG 658 Ca 0.61 -0.71 0.09 0.00 -0.47 0.00 0.00 55.73 55.25 1nf2 s ARG 658 Cb 0.27 0.32 -0.06 0.00 -0.57 0.00 0.00 34.95 34.92 1nf2 s ARG 658 CO -0.11 -0.53 0.02 0.95 -1.08 0.00 0.00 175.30 174.55 1nf2 s THR 659 N -2.27 2.48 0.31 4.99 -4.23 -1.26 -3.48 115.64 112.17 1nf2 s THR 659 Ca 0.22 -1.98 0.03 0.00 -1.18 0.00 0.00 61.69 58.78 1nf2 s THR 659 Cb -0.02 -2.82 -0.04 0.00 1.34 0.00 0.00 72.50 70.97 1nf2 s THR 659 CO 0.04 -0.16 0.15 -0.36 -0.54 0.00 0.00 174.62 173.75 1nf2 s PHE 660 N -2.56 1.63 0.15 3.99 0.08 -1.26 -4.80 117.98 115.20 1nf2 s PHE 660 Ca 0.35 -1.35 -0.31 0.00 0.12 0.00 0.00 56.93 55.74 1nf2 s PHE 660 Cb 0.02 -0.89 -0.11 0.00 -0.57 0.00 0.00 43.02 41.46 1nf2 s PHE 660 CO 0.19 -0.48 1.82 -2.30 -0.10 0.00 0.00 175.22 174.35 1nf2 n PRO 661 N -0.61 2.83 -4.46 0.24 -0.02 -1.25 -4.45 135.00 127.29 1nf2 n PRO 661 Ca 0.00 1.03 -0.22 0.00 -2.02 0.00 0.00 63.50 62.29 1nf2 n PRO 661 Cb 0.65 -2.92 -0.13 0.00 -0.02 0.00 0.00 33.50 31.08 1nf2 n PRO 661 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1nf2 s THR 662 N 2.40 1.37 -0.19 3.45 2.01 -0.14 -2.15 115.64 122.40 1nf2 s THR 662 Ca 0.80 -1.13 -0.01 0.00 0.31 0.00 0.00 61.69 61.67 1nf2 s THR 662 Cb -0.47 -1.22 0.01 0.00 0.01 0.00 0.00 72.50 70.82 1nf2 s THR 662 CO 0.36 0.07 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.59 1nf2 s ILE 663 N -0.86 2.56 0.44 1.82 1.01 0.13 -0.32 121.20 125.98 1nf2 s ILE 663 Ca 0.04 -0.77 0.03 0.00 0.00 0.00 0.00 60.65 59.95 1nf2 s ILE 663 Cb -0.08 -2.11 -0.04 0.00 0.01 0.00 0.00 42.46 40.24 1nf2 s ILE 663 CO 0.02 0.50 0.05 0.00 0.00 0.00 0.00 174.94 175.50 1nf2 s ALA 664 N 1.32 3.34 -1.30 9.38 0.00 -0.62 0.05 121.76 133.94 1nf2 s ALA 664 Ca 0.05 -1.22 -0.05 0.00 0.00 0.00 0.00 51.96 50.73 1nf2 s ALA 664 Cb -0.14 0.35 0.03 0.00 0.00 0.00 0.00 23.12 23.37 1nf2 s ALA 664 CO -0.09 -0.17 0.34 0.66 0.00 0.00 0.00 175.76 176.50 1nf2 n TYR 665 N -1.02 -1.67 -2.64 0.00 4.01 -0.25 -1.49 117.16 114.09 1nf2 n TYR 665 Ca -0.10 0.31 -0.21 0.00 -0.16 0.00 0.00 57.90 57.73 1nf2 n TYR 665 Cb 0.66 -3.30 0.01 0.00 -0.31 0.00 0.00 39.34 36.40 1nf2 n TYR 665 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1nf2 n ASN 666 N -2.18 -5.88 0.00 7.72 5.15 -0.19 -2.86 115.26 117.02 1nf2 n ASN 666 Ca -0.09 -0.11 0.00 0.00 -0.60 0.00 0.00 54.58 53.78 1nf2 n ASN 666 Cb 0.59 -4.84 0.00 0.00 -0.53 0.00 0.00 39.78 35.00 1nf2 n ASN 666 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1nf2 n GLY 667 N -1.19 1.19 0.22 8.20 0.00 -0.56 -2.43 105.19 110.61 1nf2 n GLY 667 Ca -0.19 0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.93 1nf2 n GLY 667 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nf2 h ALA 668 N 0.00 0.97 -4.23 4.61 0.00 -1.37 -3.41 119.26 115.82 1nf2 h ALA 668 Ca 0.00 -0.19 -0.51 0.00 0.00 0.00 0.00 54.91 54.21 1nf2 h ALA 668 Cb 0.00 -0.03 -0.29 0.00 0.00 0.00 0.00 17.79 17.47 1nf2 h ALA 668 CO 0.00 0.26 -0.82 0.42 0.00 0.00 0.00 179.25 179.11 1nf2 s ILE 669 N -3.51 1.25 -0.07 0.00 1.01 -1.01 -0.08 121.20 118.79 1nf2 s ILE 669 Ca 0.02 -0.71 0.02 0.00 0.00 0.00 0.00 60.65 59.98 1nf2 s ILE 669 Cb 0.09 -1.05 0.02 0.00 0.01 0.00 0.00 42.46 41.53 1nf2 s ILE 669 CO 0.64 0.33 -0.10 -0.69 0.00 0.00 0.00 174.94 175.12 1nf2 s VAL 670 N -0.41 1.02 0.07 2.92 1.01 -0.99 -1.58 120.40 122.44 1nf2 s VAL 670 Ca 0.06 -0.40 0.06 0.00 0.00 0.00 0.00 61.98 61.71 1nf2 s VAL 670 Cb -0.06 -0.96 -0.03 0.00 0.00 0.00 0.00 36.38 35.33 1nf2 s VAL 670 CO -0.00 0.34 -0.17 -0.47 0.00 0.00 0.00 175.10 174.79 1nf2 s TYR 671 N 0.83 1.45 -0.04 5.22 6.14 0.56 -0.78 117.35 130.74 1nf2 s TYR 671 Ca -0.12 -0.42 0.03 0.00 0.64 0.00 0.00 57.07 57.21 1nf2 s TYR 671 Cb -0.15 -0.82 0.00 0.00 0.42 0.00 0.00 41.96 41.41 1nf2 s TYR 671 CO 0.02 0.10 -0.13 -0.51 0.64 0.00 0.00 175.55 175.67 1nf2 s LEU 672 N -1.61 1.79 0.32 6.97 1.43 0.09 -0.96 118.68 126.71 1nf2 s LEU 672 Ca 0.02 -0.27 0.10 0.00 -1.03 0.00 0.00 54.13 52.95 1nf2 s LEU 672 Cb -0.09 -0.77 0.96 0.00 0.03 0.00 0.00 46.19 46.32 1nf2 s LEU 672 CO 0.03 0.09 1.64 -0.65 0.23 0.00 0.00 176.35 177.68 1nf2 h PRO 673 N 6.50 0.22 0.10 1.29 0.11 -1.86 0.56 132.00 138.91 1nf2 h PRO 673 Ca -0.33 -0.01 -0.29 0.00 0.11 0.00 0.00 66.00 65.48 1nf2 h PRO 673 Cb 1.18 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1nf2 h PRO 673 CO 0.48 0.15 -1.53 1.05 -0.21 0.00 0.00 178.00 177.93 1nf2 h GLU 674 N 0.23 0.20 0.06 1.05 9.09 -1.97 -3.40 114.58 119.84 1nf2 h GLU 674 Ca 0.68 -0.35 -0.27 0.00 0.05 0.00 0.00 59.36 59.47 1nf2 h GLU 674 Cb 1.51 0.13 -0.02 0.00 -1.65 0.00 0.00 28.75 28.72 1nf2 h GLU 674 CO -0.66 1.17 -1.34 0.93 0.05 0.00 0.00 179.01 179.15 1nf2 h GLU 675 N -0.34 0.12 0.00 1.06 4.39 -1.93 -3.50 114.58 114.38 1nf2 h GLU 675 Ca -0.34 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.15 1nf2 h GLU 675 Cb 1.75 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 30.47 1nf2 h GLU 675 CO 0.02 0.98 0.00 0.41 -1.16 0.00 0.00 179.01 179.25 1nf2 n GLY 676 N 1.52 -0.46 3.71 -3.84 0.00 0.19 -4.87 105.19 101.44 1nf2 n GLY 676 Ca -0.10 -1.65 -0.42 0.00 0.00 0.00 0.00 46.02 43.85 1nf2 n GLY 676 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nf2 s VAL 677 N 0.00 3.27 -0.24 1.61 1.01 -1.26 -0.73 120.40 124.06 1nf2 s VAL 677 Ca 0.00 0.84 0.03 0.00 0.00 0.00 0.00 61.98 62.84 1nf2 s VAL 677 Cb 0.00 -3.54 -0.00 0.00 0.00 0.00 0.00 36.38 32.84 1nf2 s VAL 677 CO 0.00 0.04 0.36 2.30 0.00 0.00 0.00 175.10 177.80 1nf2 n ILE 678 N 4.24 0.00 -3.70 2.22 -5.35 0.04 -4.95 119.36 111.87 1nf2 n ILE 678 Ca 0.13 -0.47 -0.17 0.00 -0.27 0.00 0.00 62.75 61.97 1nf2 n ILE 678 Cb 0.42 1.03 -0.16 0.00 -1.74 0.00 0.00 39.64 39.19 1nf2 n ILE 678 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 1nf2 s LEU 679 N -1.11 0.33 -0.48 7.28 2.96 -1.19 -4.97 118.68 121.50 1nf2 s LEU 679 Ca 0.02 0.22 0.05 0.00 -0.22 0.00 0.00 54.13 54.20 1nf2 s LEU 679 Cb 0.02 0.14 0.19 0.00 0.50 0.00 0.00 46.19 47.04 1nf2 s LEU 679 CO 0.07 -0.21 0.44 -3.20 -1.32 0.00 0.00 176.35 172.13 1nf2 n ASN 680 N 4.89 0.65 -4.74 3.68 4.05 -1.25 -2.34 115.26 120.20 1nf2 n ASN 680 Ca -0.13 -2.68 -0.41 0.00 0.45 0.00 0.00 54.58 51.81 1nf2 n ASN 680 Cb 0.50 -0.62 -0.04 0.00 1.23 0.00 0.00 39.78 40.86 1nf2 n ASN 680 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 1nf2 s GLU 681 N -0.68 4.60 0.21 1.20 0.41 0.88 -5.03 118.70 120.30 1nf2 s GLU 681 Ca 0.32 1.68 -0.23 0.00 -0.41 0.00 0.00 54.97 56.34 1nf2 s GLU 681 Cb 0.06 -3.30 0.04 0.00 -1.78 0.00 0.00 34.13 29.16 1nf2 s GLU 681 CO -0.16 0.08 0.73 -1.59 -0.49 0.00 0.00 175.26 173.82 1nf2 s LYS 682 N -0.23 1.51 -0.14 1.61 -2.85 -1.26 -4.75 119.74 113.63 1nf2 s LYS 682 Ca 0.50 -0.76 -0.29 0.00 -1.00 0.00 0.00 55.97 54.41 1nf2 s LYS 682 Cb -0.28 0.57 -0.01 0.00 -2.06 0.00 0.00 37.83 36.04 1nf2 s LYS 682 CO 0.34 -0.69 1.15 0.42 0.10 0.00 0.00 175.35 176.68 1nf2 s ILE 683 N -3.75 4.45 0.81 3.79 1.09 0.15 -4.87 121.20 122.87 1nf2 s ILE 683 Ca 0.08 1.75 -0.13 0.00 -1.10 0.00 0.00 60.65 61.25 1nf2 s ILE 683 Cb -0.04 -4.13 0.08 0.00 -1.06 0.00 0.00 42.46 37.32 1nf2 s ILE 683 CO -0.00 -0.08 1.19 -2.16 -0.10 0.00 0.00 174.94 173.79 1nf2 s PRO 684 N 2.81 1.65 0.18 2.79 0.04 -1.26 -2.28 135.00 138.92 1nf2 s PRO 684 Ca 0.52 1.71 -0.19 0.00 0.04 0.00 0.00 61.00 63.08 1nf2 s PRO 684 Cb -0.20 -1.78 0.14 0.00 0.04 0.00 0.00 34.50 32.69 1nf2 s PRO 684 CO 0.15 -2.20 1.61 -1.35 0.04 0.00 0.00 177.00 175.26 1nf2 h PRO 685 N -0.95 -0.12 -0.80 0.56 0.11 -1.83 -1.49 132.00 127.47 1nf2 h PRO 685 Ca -0.46 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 1nf2 h PRO 685 Cb 1.29 0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.39 1nf2 h PRO 685 CO 0.46 -0.08 0.49 0.93 -0.21 0.00 0.00 178.00 179.59 1nf2 h GLU 686 N -0.13 1.08 -0.12 1.05 4.39 -1.90 0.57 114.58 119.53 1nf2 h GLU 686 Ca 0.23 -0.09 -0.06 0.00 0.34 0.00 0.00 59.36 59.78 1nf2 h GLU 686 Cb 0.49 -0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 28.91 1nf2 h GLU 686 CO -0.58 0.75 -0.14 0.28 -1.16 0.00 0.00 179.01 178.16 1nf2 h VAL 687 N 1.10 1.36 -0.91 3.13 2.07 -1.83 -2.15 116.25 119.01 1nf2 h VAL 687 Ca 0.29 -1.33 0.04 0.00 0.82 0.00 0.00 66.70 66.52 1nf2 h VAL 687 Cb -0.06 1.96 -0.05 0.00 -1.52 0.00 0.00 31.29 31.62 1nf2 h VAL 687 CO -0.06 0.38 0.59 0.00 0.02 0.00 0.00 177.57 178.51 1nf2 h ALA 688 N 0.58 1.21 0.06 1.67 0.00 -1.00 -0.60 119.26 121.17 1nf2 h ALA 688 Ca 0.02 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1nf2 h ALA 688 Cb 0.68 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1nf2 h ALA 688 CO 0.03 0.44 -0.09 -0.22 0.00 0.00 0.00 179.25 179.42 1nf2 h LYS 689 N 1.14 -0.17 -0.83 0.00 3.64 -0.83 -0.88 116.57 118.64 1nf2 h LYS 689 Ca 0.37 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.80 1nf2 h LYS 689 Cb 0.02 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 31.83 1nf2 h LYS 689 CO -0.13 -0.11 0.53 -0.44 -2.27 0.00 0.00 179.45 177.03 1nf2 h ASP 690 N -0.18 0.86 -0.28 4.20 3.45 -0.66 -0.86 116.42 122.95 1nf2 h ASP 690 Ca 0.01 0.00 -0.06 0.00 0.43 0.00 0.00 57.03 57.42 1nf2 h ASP 690 Cb 0.19 -0.18 -0.01 0.00 -0.56 0.00 0.00 39.33 38.77 1nf2 h ASP 690 CO -0.05 0.58 -0.07 0.40 -1.57 0.00 0.00 179.24 178.53 1nf2 h ILE 691 N 1.00 1.28 -0.48 0.35 2.04 -0.94 -2.04 117.51 118.72 1nf2 h ILE 691 Ca 0.34 -1.09 -0.05 0.00 1.00 0.00 0.00 64.86 65.06 1nf2 h ILE 691 Cb 0.06 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 1nf2 h ILE 691 CO -0.13 0.35 0.11 0.40 0.00 0.00 0.00 178.15 178.87 1nf2 h ILE 692 N 0.30 1.24 0.00 -0.67 2.04 -0.93 -2.00 117.51 117.49 1nf2 h ILE 692 Ca 0.07 -0.85 -0.06 0.00 1.00 0.00 0.00 64.86 65.02 1nf2 h ILE 692 Cb 0.54 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 1nf2 h ILE 692 CO 0.03 0.30 -0.27 -0.33 0.00 0.00 0.00 178.15 177.89 1nf2 h GLU 693 N 0.66 0.00 0.00 2.37 5.08 -1.16 -1.13 114.58 120.39 1nf2 h GLU 693 Ca 0.15 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.37 1nf2 h GLU 693 Cb 0.34 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1nf2 h GLU 693 CO 0.00 0.27 -0.64 -0.92 -1.00 0.00 0.00 179.01 176.71 1nf2 h TYR 694 N 0.00 0.00 0.00 4.33 3.20 -1.03 -3.29 116.97 120.18 1nf2 h TYR 694 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1nf2 h TYR 694 Cb 0.61 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.88 1nf2 h TYR 694 CO 0.00 0.64 -1.33 1.51 -1.64 0.00 0.00 178.16 177.34 1nf2 n ILE 695 N -3.57 0.29 -0.18 1.81 3.06 -0.78 -4.48 119.36 115.51 1nf2 n ILE 695 Ca -0.00 -0.45 -0.02 0.00 -2.50 0.00 0.00 62.75 59.78 1nf2 n ILE 695 Cb 0.68 -0.07 0.08 0.00 0.54 0.00 0.00 39.64 40.88 1nf2 n ILE 695 CO 0.00 0.00 0.00 0.11 -2.50 0.00 0.00 176.55 174.16 1nf2 h LYS 696 N 0.00 0.40 0.00 9.51 1.57 -1.29 -1.75 116.57 125.01 1nf2 h LYS 696 Ca 0.00 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1nf2 h LYS 696 Cb 0.92 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.14 1nf2 h LYS 696 CO 0.00 0.26 -0.02 -1.35 -0.57 0.00 0.00 179.45 177.77 1nf2 h PRO 697 N 0.41 0.00 -0.25 3.15 0.11 -1.79 -2.58 132.00 131.05 1nf2 h PRO 697 Ca 0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.38 1nf2 h PRO 697 Cb 0.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.39 1nf2 h PRO 697 CO -0.25 0.02 0.00 1.28 -0.21 0.00 0.00 178.00 178.84 1nf2 n LEU 698 N -3.23 1.41 -2.86 2.35 4.32 -0.66 -4.97 117.00 113.35 1nf2 n LEU 698 Ca -0.02 -0.69 -0.20 0.00 -0.02 0.00 0.00 56.01 55.08 1nf2 n LEU 698 Cb 0.17 -0.17 0.01 0.00 -1.62 0.00 0.00 43.42 41.81 1nf2 n LEU 698 CO 0.24 0.35 -0.16 0.59 -1.22 0.00 0.00 177.39 177.19 1nf2 n ASN 699 N 0.25 -3.09 -4.16 -1.43 4.13 -0.97 -4.97 115.26 105.02 1nf2 n ASN 699 Ca 0.10 -0.32 -0.19 0.00 1.68 0.00 0.00 54.58 55.84 1nf2 n ASN 699 Cb 0.23 -0.95 -0.13 0.00 -1.54 0.00 0.00 39.78 37.39 1nf2 n ASN 699 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 1nf2 s VAL 700 N -1.64 1.11 0.04 2.41 -7.23 -1.26 -5.12 120.40 108.70 1nf2 s VAL 700 Ca 0.13 -1.14 -0.30 0.00 -1.81 0.00 0.00 61.98 58.86 1nf2 s VAL 700 Cb -0.01 -1.04 -0.04 0.00 0.56 0.00 0.00 36.38 35.85 1nf2 s VAL 700 CO 0.53 -0.10 1.01 -2.28 -0.31 0.00 0.00 175.10 173.95 1nf2 s HIS 701 N -1.05 3.66 0.04 2.82 2.46 -1.26 -4.99 115.29 116.98 1nf2 s HIS 701 Ca -0.00 1.67 0.01 0.00 0.47 0.00 0.00 55.06 57.21 1nf2 s HIS 701 Cb -0.09 -3.15 -0.03 0.00 -0.13 0.00 0.00 32.58 29.19 1nf2 s HIS 701 CO 0.02 -0.13 -0.05 1.67 -2.47 0.00 0.00 174.74 173.77 1nf2 s TRP 702 N 0.75 0.53 0.07 3.88 1.48 -1.26 -1.62 118.94 122.77 1nf2 s TRP 702 Ca 0.52 -0.61 0.02 0.00 -1.06 0.00 0.00 56.10 54.96 1nf2 s TRP 702 Cb -0.23 -0.34 -0.04 0.00 -1.16 0.00 0.00 33.47 31.71 1nf2 s TRP 702 CO 0.29 -0.16 -0.07 1.14 -4.06 0.00 0.00 176.95 174.09 1nf2 s GLN 703 N -2.02 0.70 0.16 3.25 -2.07 0.09 -4.43 119.66 115.34 1nf2 s GLN 703 Ca -0.08 -1.12 0.08 0.00 -1.82 0.00 0.00 55.36 52.42 1nf2 s GLN 703 Cb -0.07 -0.19 -0.04 0.00 -1.09 0.00 0.00 33.01 31.62 1nf2 s GLN 703 CO -0.02 -0.00 -0.17 0.00 -1.32 0.00 0.00 175.29 173.78 1nf2 s ALA 704 N -2.87 1.90 -0.30 2.60 0.00 -0.59 -1.75 121.76 120.76 1nf2 s ALA 704 Ca 0.04 -1.48 0.01 0.00 0.00 0.00 0.00 51.96 50.53 1nf2 s ALA 704 Cb 0.00 -0.15 0.07 0.00 0.00 0.00 0.00 23.12 23.04 1nf2 s ALA 704 CO -0.03 0.18 -0.02 0.71 0.00 0.00 0.00 175.76 176.59 1nf2 s TYR 705 N -2.22 3.38 -0.20 0.00 2.02 -1.17 -0.01 117.35 119.15 1nf2 s TYR 705 Ca 0.15 -2.31 0.00 0.00 -0.37 0.00 0.00 57.07 54.55 1nf2 s TYR 705 Cb -0.05 -2.27 0.02 0.00 -0.40 0.00 0.00 41.96 39.27 1nf2 s TYR 705 CO 0.06 -0.88 -0.15 0.42 -1.57 0.00 0.00 175.55 173.43 1nf2 s ILE 706 N 1.12 2.36 -1.53 2.71 1.01 -0.65 -0.71 121.20 125.52 1nf2 s ILE 706 Ca -0.03 -0.96 -0.07 0.00 0.00 0.00 0.00 60.65 59.59 1nf2 s ILE 706 Cb -0.20 -2.08 0.06 0.00 0.01 0.00 0.00 42.46 40.25 1nf2 s ILE 706 CO -0.04 0.42 0.55 0.47 0.00 0.00 0.00 174.94 176.33 1nf2 n ASP 707 N 4.63 -1.49 -2.39 3.58 8.00 -1.26 -1.73 116.55 125.89 1nf2 n ASP 707 Ca -0.19 -1.02 -0.18 0.00 0.71 0.00 0.00 54.79 54.11 1nf2 n ASP 707 Cb 0.49 -2.89 0.02 0.00 -0.02 0.00 0.00 41.12 38.72 1nf2 n ASP 707 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1nf2 n ASP 708 N -2.86 -5.27 -4.04 -2.24 2.03 -1.26 -5.02 116.55 97.88 1nf2 n ASP 708 Ca -0.16 -0.19 -0.24 0.00 0.52 0.00 0.00 54.79 54.72 1nf2 n ASP 708 Cb 0.61 -4.17 -0.16 0.00 -0.72 0.00 0.00 41.12 36.68 1nf2 n ASP 708 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1nf2 s VAL 709 N -3.02 1.13 -0.09 5.18 1.01 -0.70 -4.84 120.40 119.06 1nf2 s VAL 709 Ca 0.19 -0.51 -0.25 0.00 0.00 0.00 0.00 61.98 61.42 1nf2 s VAL 709 Cb -0.09 -1.01 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 1nf2 s VAL 709 CO 0.24 0.34 0.78 -0.22 0.00 0.00 0.00 175.10 176.24 1nf2 s LEU 710 N 0.41 4.28 0.11 3.92 0.20 -1.26 -1.63 118.68 124.71 1nf2 s LEU 710 Ca -0.09 1.24 0.10 0.00 0.69 0.00 0.00 54.13 56.07 1nf2 s LEU 710 Cb -0.13 -3.19 -0.04 0.00 -0.43 0.00 0.00 46.19 42.40 1nf2 s LEU 710 CO 0.03 -0.22 -0.25 -0.31 -0.29 0.00 0.00 176.35 175.31 1nf2 s TYR 711 N 1.24 2.15 -0.04 5.38 2.02 0.98 -0.79 117.35 128.29 1nf2 s TYR 711 Ca 0.40 -0.39 -0.04 0.00 -0.37 0.00 0.00 57.07 56.66 1nf2 s TYR 711 Cb -0.18 -1.19 0.01 0.00 -0.40 0.00 0.00 41.96 40.20 1nf2 s TYR 711 CO 0.18 0.27 0.11 0.45 -1.57 0.00 0.00 175.55 174.98 1nf2 s SER 712 N -1.87 -0.10 0.18 2.29 0.15 -0.17 -1.55 113.70 112.63 1nf2 s SER 712 Ca 0.11 0.20 -0.10 0.00 0.70 0.00 0.00 55.95 56.86 1nf2 s SER 712 Cb -0.10 0.22 0.09 0.00 -1.71 0.00 0.00 66.02 64.52 1nf2 s SER 712 CO 0.05 -0.06 1.68 -0.33 1.20 0.00 0.00 173.24 175.79 1nf2 h GLU 713 N 5.89 1.06 -6.00 5.44 5.08 -1.78 0.28 114.58 124.56 1nf2 h GLU 713 Ca -0.25 -0.28 -0.53 0.00 -1.00 0.00 0.00 59.36 57.30 1nf2 h GLU 713 Cb 1.20 -0.13 -0.21 0.00 0.50 0.00 0.00 28.75 30.12 1nf2 h GLU 713 CO 0.44 0.98 -0.81 0.15 -1.00 0.00 0.00 179.01 178.76 1nf2 s LYS 714 N -5.23 1.13 -1.20 2.33 1.02 -1.26 -3.55 119.74 112.97 1nf2 s LYS 714 Ca -0.12 -1.21 -0.09 0.00 0.02 0.00 0.00 55.97 54.57 1nf2 s LYS 714 Cb 0.14 -1.30 0.21 0.00 -0.52 0.00 0.00 37.83 36.36 1nf2 s LYS 714 CO 0.84 0.29 1.63 -3.47 -0.92 0.00 0.00 175.35 173.72 1nf2 n ASP 715 N 0.87 5.50 -0.70 2.83 4.64 -1.26 -4.85 116.55 123.57 1nf2 n ASP 715 Ca -0.18 -3.16 0.00 0.00 -1.38 0.00 0.00 54.79 50.07 1nf2 n ASP 715 Cb 0.55 -1.43 0.00 0.00 -1.04 0.00 0.00 41.12 39.19 1nf2 n ASP 715 CO 0.00 0.00 0.00 -0.46 -0.82 0.00 0.00 177.20 175.92 1nf2 n ASN 716 N 3.43 0.03 0.00 1.67 6.94 -1.26 -4.97 115.26 121.10 1nf2 n ASN 716 Ca 0.34 -0.35 -0.19 0.00 -0.02 0.00 0.00 54.58 54.37 1nf2 n ASN 716 Cb 0.37 0.00 -0.09 0.00 -2.36 0.00 0.00 39.78 37.70 1nf2 n ASN 716 CO 0.00 0.00 0.00 -0.33 -1.03 0.00 0.00 177.26 175.90 1nf2 h GLU 717 N 0.00 0.76 0.04 -3.83 3.07 -1.99 -2.72 114.58 109.91 1nf2 h GLU 717 Ca 0.00 -0.69 0.03 0.00 -0.50 0.00 0.00 59.36 58.19 1nf2 h GLU 717 Cb 0.00 0.17 -0.04 0.00 -0.84 0.00 0.00 28.75 28.04 1nf2 h GLU 717 CO 0.00 1.29 -0.24 0.93 -1.40 0.00 0.00 179.01 179.59 1nf2 h GLU 718 N 0.47 -0.38 -0.57 2.33 3.07 -1.96 0.17 114.58 117.71 1nf2 h GLU 718 Ca -0.08 0.03 -0.09 0.00 -0.50 0.00 0.00 59.36 58.72 1nf2 h GLU 718 Cb 1.52 0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 29.50 1nf2 h GLU 718 CO 0.18 -0.26 0.02 0.97 -1.40 0.00 0.00 179.01 178.52 1nf2 h ILE 719 N -0.40 1.26 -0.65 3.13 6.09 -1.89 0.21 117.51 125.27 1nf2 h ILE 719 Ca 0.05 -1.10 -0.00 0.00 -1.37 0.00 0.00 64.86 62.44 1nf2 h ILE 719 Cb 0.46 0.85 -0.03 0.00 0.47 0.00 0.00 36.82 38.57 1nf2 h ILE 719 CO -0.19 0.40 0.39 0.11 -3.07 0.00 0.00 178.15 175.79 1nf2 h LYS 720 N 0.88 0.88 -0.10 2.19 1.57 -1.19 -0.51 116.57 120.28 1nf2 h LYS 720 Ca 0.16 -0.08 -0.13 0.00 -1.87 0.00 0.00 60.65 58.73 1nf2 h LYS 720 Cb 0.52 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 1nf2 h LYS 720 CO 0.03 0.62 -0.53 1.03 -0.57 0.00 0.00 179.45 180.03 1nf2 h SER 721 N 0.88 0.30 -0.01 0.86 0.87 -0.47 -2.87 113.55 113.12 1nf2 h SER 721 Ca 0.23 -0.16 -0.01 0.00 -1.23 0.00 0.00 61.79 60.62 1nf2 h SER 721 Cb -0.03 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 61.84 1nf2 h SER 721 CO -0.04 0.78 -0.05 0.22 -0.53 0.00 0.00 176.83 177.21 1nf2 h TYR 722 N 0.22 0.08 0.00 2.24 5.03 -0.53 -2.60 116.97 121.40 1nf2 h TYR 722 Ca 0.00 -0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.28 1nf2 h TYR 722 Cb 1.01 -0.01 0.00 0.00 1.55 0.00 0.00 36.73 39.28 1nf2 h TYR 722 CO 0.02 0.69 0.00 0.00 -1.32 0.00 0.00 178.16 177.55 1nf2 h ALA 723 N 0.37 1.00 0.04 1.82 0.00 -1.17 -1.25 119.26 120.07 1nf2 h ALA 723 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1nf2 h ALA 723 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1nf2 h ALA 723 CO 0.01 0.00 -0.02 -0.09 0.00 0.00 0.00 179.25 179.15 1nf2 h ARG 724 N 0.00 -0.05 0.00 0.00 2.43 -1.38 -2.29 114.38 113.08 1nf2 h ARG 724 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1nf2 h ARG 724 Cb 0.07 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1nf2 h ARG 724 CO 0.00 -0.03 0.00 0.72 -1.51 0.00 0.00 179.97 179.15 1nf2 n HIS 725 N -4.75 0.78 0.70 2.20 8.25 -0.99 -2.51 115.22 118.89 1nf2 n HIS 725 Ca -0.01 0.32 0.07 0.00 -0.26 0.00 0.00 57.72 57.85 1nf2 n HIS 725 Cb 0.02 -1.02 -0.04 0.00 1.12 0.00 0.00 29.99 30.07 1nf2 n HIS 725 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1nf2 n SER 726 N -2.23 1.18 -3.62 0.41 7.64 -0.49 -5.02 113.62 111.49 1nf2 n SER 726 Ca 0.01 -1.09 -0.28 0.00 1.01 0.00 0.00 58.87 58.52 1nf2 n SER 726 Cb 0.19 0.71 0.04 0.00 -1.01 0.00 0.00 64.21 64.15 1nf2 n SER 726 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1nf2 n ASN 727 N -0.69 -5.57 -3.99 6.43 5.15 -0.91 -5.00 115.26 110.67 1nf2 n ASN 727 Ca 0.05 -0.94 -0.08 0.00 -0.60 0.00 0.00 54.58 53.01 1nf2 n ASN 727 Cb 0.28 -3.54 -0.09 0.00 -0.53 0.00 0.00 39.78 35.91 1nf2 n ASN 727 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1nf2 s VAL 728 N -3.40 0.18 0.47 3.44 -7.23 -0.94 -4.99 120.40 107.93 1nf2 s VAL 728 Ca 0.43 -1.55 0.06 0.00 -1.81 0.00 0.00 61.98 59.11 1nf2 s VAL 728 Cb -0.14 -1.48 0.02 0.00 0.56 0.00 0.00 36.38 35.33 1nf2 s VAL 728 CO 0.85 -0.81 0.65 -1.81 -0.31 0.00 0.00 175.10 173.67 1nf2 s ASP 729 N -2.90 5.49 0.24 4.85 1.11 -1.26 -4.69 116.67 119.50 1nf2 s ASP 729 Ca 0.07 -0.29 -0.19 0.00 0.18 0.00 0.00 52.55 52.33 1nf2 s ASP 729 Cb 0.07 -0.70 0.02 0.00 1.07 0.00 0.00 42.92 43.38 1nf2 s ASP 729 CO -0.09 -0.93 0.60 -0.72 1.18 0.00 0.00 175.17 175.21 1nf2 s TYR 730 N -2.52 -0.10 0.05 4.23 1.13 -1.26 -4.33 117.35 114.55 1nf2 s TYR 730 Ca 0.56 -0.28 0.06 0.00 -1.41 0.00 0.00 57.07 56.00 1nf2 s TYR 730 Cb -0.10 0.50 -0.03 0.00 -1.10 0.00 0.00 41.96 41.24 1nf2 s TYR 730 CO 0.35 -1.06 -0.18 1.03 -2.51 0.00 0.00 175.55 173.19 1nf2 s ARG 731 N -3.91 1.15 -0.24 -3.49 3.00 0.03 -5.00 118.95 110.50 1nf2 s ARG 731 Ca 0.12 -0.90 -0.09 0.00 0.00 0.00 0.00 55.73 54.85 1nf2 s ARG 731 Cb -0.03 -1.24 -0.05 0.00 0.00 0.00 0.00 34.95 33.63 1nf2 s ARG 731 CO 0.02 0.31 0.13 0.14 0.00 0.00 0.00 175.30 175.90 1nf2 s VAL 732 N -0.89 5.09 -0.34 3.52 -7.23 -1.26 -1.00 120.40 118.29 1nf2 s VAL 732 Ca 0.05 0.09 -0.00 0.00 -1.81 0.00 0.00 61.98 60.30 1nf2 s VAL 732 Cb -0.09 -3.37 0.11 0.00 0.56 0.00 0.00 36.38 33.60 1nf2 s VAL 732 CO 0.02 0.35 0.13 -0.70 -0.31 0.00 0.00 175.10 174.60 1nf2 s GLU 733 N 1.10 0.77 0.60 4.82 2.56 0.99 -4.93 118.70 124.61 1nf2 s GLU 733 Ca 0.06 -1.23 0.29 0.00 0.00 0.00 0.00 54.97 54.10 1nf2 s GLU 733 Cb -0.14 -1.95 1.58 0.00 2.00 0.00 0.00 34.13 35.63 1nf2 s GLU 733 CO 0.04 -1.04 1.98 -1.00 -0.56 0.00 0.00 175.26 174.68 1nf2 h PRO 734 N 7.78 0.00 -0.87 4.30 0.13 -1.80 -0.64 132.00 140.90 1nf2 h PRO 734 Ca -0.10 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.49 1nf2 h PRO 734 Cb 0.99 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 31.84 1nf2 h PRO 734 CO 0.46 0.00 0.48 0.09 -0.23 0.00 0.00 178.00 178.79 1nf2 n ASN 735 N -3.58 5.25 -0.37 1.44 4.13 -1.26 -4.72 115.26 116.15 1nf2 n ASN 735 Ca 0.04 -3.73 0.00 0.00 1.68 0.00 0.00 54.58 52.58 1nf2 n ASN 735 Cb 0.49 -0.81 0.14 0.00 -1.54 0.00 0.00 39.78 38.06 1nf2 n ASN 735 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 1nf2 h LEU 736 N 1.52 1.07 -0.98 3.41 5.85 -1.47 -2.19 115.31 122.52 1nf2 h LEU 736 Ca 0.53 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 59.25 1nf2 h LEU 736 Cb 1.72 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 42.46 1nf2 h LEU 736 CO 1.16 0.73 0.59 0.77 -0.34 0.00 0.00 178.44 181.34 1nf2 h SER 737 N 1.24 1.13 -0.30 1.25 4.64 -1.86 0.44 113.55 120.09 1nf2 h SER 737 Ca 0.40 -0.06 -0.12 0.00 -0.47 0.00 0.00 61.79 61.54 1nf2 h SER 737 Cb 0.02 -0.29 -0.01 0.00 -0.31 0.00 0.00 62.40 61.81 1nf2 h SER 737 CO -0.13 0.86 -0.25 -0.33 -0.87 0.00 0.00 176.83 176.10 1nf2 h GLU 738 N 1.31 0.80 0.07 4.77 3.07 -1.85 0.63 114.58 123.38 1nf2 h GLU 738 Ca 0.34 -0.34 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1nf2 h GLU 738 Cb -0.08 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 27.80 1nf2 h GLU 738 CO -0.07 0.97 -0.04 1.25 -1.40 0.00 0.00 179.01 179.72 1nf2 h LEU 739 N 0.69 -0.08 -1.43 1.33 5.85 -0.70 -2.90 115.31 118.06 1nf2 h LEU 739 Ca 0.09 -0.24 -0.06 0.00 0.84 0.00 0.00 57.88 58.51 1nf2 h LEU 739 Cb 0.78 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 1nf2 h LEU 739 CO 0.06 0.19 -0.23 0.58 -0.34 0.00 0.00 178.44 178.70 1nf2 h VAL 740 N -0.37 1.19 0.00 1.05 2.07 -0.12 -0.58 116.25 119.49 1nf2 h VAL 740 Ca -0.01 -0.89 -0.02 0.00 0.82 0.00 0.00 66.70 66.60 1nf2 h VAL 740 Cb 0.32 1.42 -0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1nf2 h VAL 740 CO 0.02 0.26 -0.08 0.28 0.02 0.00 0.00 177.57 178.07 1nf2 h SER 741 N 0.07 0.00 0.00 0.57 0.02 -0.69 -0.85 113.55 112.66 1nf2 h SER 741 Ca 0.01 0.00 -0.43 0.00 -0.84 0.00 0.00 61.79 60.53 1nf2 h SER 741 Cb 0.46 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.93 1nf2 h SER 741 CO 0.03 0.08 -2.34 1.17 -1.14 0.00 0.00 176.83 174.63 1nf2 n LYS 742 N -3.48 0.59 0.02 3.45 4.81 -0.74 -4.39 118.16 118.42 1nf2 n LYS 742 Ca -0.02 0.31 0.12 0.00 -0.87 0.00 0.00 58.31 57.86 1nf2 n LYS 742 Cb 0.22 -1.54 0.32 0.00 0.02 0.00 0.00 35.03 34.05 1nf2 n LYS 742 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 1nf2 n MET 743 N -4.23 0.09 -0.48 1.64 2.81 -0.30 -4.69 117.12 111.95 1nf2 n MET 743 Ca -0.51 0.03 0.07 0.00 -1.81 0.00 0.00 57.70 55.48 1nf2 n MET 743 Cb 0.86 -1.56 -0.02 0.00 -0.71 0.00 0.00 33.22 31.79 1nf2 n MET 743 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1nf2 n GLY 744 N 1.45 -1.54 3.27 3.03 0.00 -0.33 -4.73 105.19 106.35 1nf2 n GLY 744 Ca 0.05 -1.41 -0.13 0.00 0.00 0.00 0.00 46.02 44.53 1nf2 n GLY 744 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1nf2 s THR 745 N -1.50 0.02 0.35 2.61 -1.32 -0.97 -4.76 115.64 110.07 1nf2 s THR 745 Ca 0.00 -0.13 0.05 0.00 -1.21 0.00 0.00 61.69 60.40 1nf2 s THR 745 Cb 0.00 -0.57 0.29 0.00 -1.51 0.00 0.00 72.50 70.71 1nf2 s THR 745 CO 0.00 -0.07 1.95 0.74 -2.21 0.00 0.00 174.62 175.03 1nf2 h THR 746 N 4.30 1.03 -1.79 5.08 2.02 -1.21 0.46 112.91 122.80 1nf2 h THR 746 Ca -0.27 -0.27 0.26 0.00 0.77 0.00 0.00 66.41 66.89 1nf2 h THR 746 Cb 1.18 0.16 -0.12 0.00 -1.74 0.00 0.00 68.15 67.64 1nf2 h THR 746 CO 0.31 0.15 0.69 -1.59 0.37 0.00 0.00 175.52 175.45 1nf2 s LYS 747 N -5.71 0.67 0.03 6.66 -2.85 -1.26 -4.28 119.74 113.01 1nf2 s LYS 747 Ca -0.10 -0.36 0.07 0.00 -1.00 0.00 0.00 55.97 54.59 1nf2 s LYS 747 Cb 0.19 0.24 -0.02 0.00 -2.06 0.00 0.00 37.83 36.18 1nf2 s LYS 747 CO 0.78 -0.31 -0.22 -0.51 0.10 0.00 0.00 175.35 175.19 1nf2 s LEU 748 N -2.85 2.14 -0.07 2.77 1.43 -0.23 -3.05 118.68 118.82 1nf2 s LEU 748 Ca 0.12 -0.50 0.01 0.00 -1.03 0.00 0.00 54.13 52.73 1nf2 s LEU 748 Cb 0.02 -1.04 0.02 0.00 0.03 0.00 0.00 46.19 45.22 1nf2 s LEU 748 CO -0.02 0.20 -0.07 -0.22 0.23 0.00 0.00 176.35 176.47 1nf2 s LEU 749 N -1.03 1.27 0.04 1.79 0.20 -0.72 -0.60 118.68 119.64 1nf2 s LEU 749 Ca 0.08 -0.21 0.04 0.00 0.69 0.00 0.00 54.13 54.73 1nf2 s LEU 749 Cb -0.09 -0.64 -0.04 0.00 -0.43 0.00 0.00 46.19 44.99 1nf2 s LEU 749 CO 0.01 -0.07 -0.04 -0.76 -0.29 0.00 0.00 176.35 175.21 1nf2 s LEU 750 N 1.19 3.31 -0.02 -0.68 1.02 0.39 -0.73 118.68 123.15 1nf2 s LEU 750 Ca -0.06 -0.16 0.00 0.00 0.02 0.00 0.00 54.13 53.93 1nf2 s LEU 750 Cb -0.14 -1.97 0.02 0.00 0.02 0.00 0.00 46.19 44.12 1nf2 s LEU 750 CO -0.02 0.23 0.00 -0.51 0.02 0.00 0.00 176.35 176.08 1nf2 s ILE 751 N -1.14 0.11 0.00 -0.59 2.07 -0.64 -0.54 121.20 120.47 1nf2 s ILE 751 Ca 0.21 0.09 0.00 0.00 -1.41 0.00 0.00 60.65 59.54 1nf2 s ILE 751 Cb -0.11 -0.20 0.00 0.00 0.13 0.00 0.00 42.46 42.28 1nf2 s ILE 751 CO 0.12 0.11 0.00 -0.67 -1.91 0.00 0.00 174.94 172.59 1nf2 n ASP 752 N 3.95 0.00 -4.75 4.50 -0.08 -1.22 -4.01 116.55 114.94 1nf2 n ASP 752 Ca -0.25 -0.99 -0.36 0.00 -1.51 0.00 0.00 54.79 51.68 1nf2 n ASP 752 Cb 0.52 0.00 0.05 0.00 2.34 0.00 0.00 41.12 44.02 1nf2 n ASP 752 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1nf2 s THR 753 N -2.74 2.47 0.34 5.18 -4.23 -1.26 -4.59 115.64 110.82 1nf2 s THR 753 Ca 0.00 0.29 0.07 0.00 -1.18 0.00 0.00 61.69 60.86 1nf2 s THR 753 Cb 0.00 -3.09 0.31 0.00 1.34 0.00 0.00 72.50 71.06 1nf2 s THR 753 CO 0.00 -0.07 1.87 -0.65 -0.54 0.00 0.00 174.62 175.23 1nf2 h PRO 754 N 0.70 0.76 0.42 3.99 0.11 -1.94 -1.11 132.00 134.93 1nf2 h PRO 754 Ca -0.50 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.55 1nf2 h PRO 754 Cb 1.31 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 1nf2 h PRO 754 CO 0.54 0.50 -0.45 1.49 -0.21 0.00 0.00 178.00 179.87 1nf2 h GLU 755 N 0.78 -0.85 -0.09 1.05 4.57 -1.89 -1.13 114.58 117.02 1nf2 h GLU 755 Ca 0.44 0.06 -0.08 0.00 -1.18 0.00 0.00 59.36 58.60 1nf2 h GLU 755 Cb 0.60 0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 29.37 1nf2 h GLU 755 CO -0.20 -0.57 -0.32 -0.09 -1.18 0.00 0.00 179.01 176.65 1nf2 h ARG 756 N -0.88 0.17 -0.23 1.92 2.43 -1.84 -2.62 114.38 113.32 1nf2 h ARG 756 Ca -0.05 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 58.97 1nf2 h ARG 756 Cb 0.77 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.30 1nf2 h ARG 756 CO -0.07 0.48 -0.21 1.25 -1.51 0.00 0.00 179.97 179.91 1nf2 h LEU 757 N 0.15 0.41 -1.00 3.80 5.85 -1.05 -1.23 115.31 122.24 1nf2 h LEU 757 Ca 0.02 -0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.56 1nf2 h LEU 757 Cb 0.65 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 1nf2 h LEU 757 CO 0.05 0.63 0.12 0.44 -0.34 0.00 0.00 178.44 179.34 1nf2 h ASP 758 N 0.38 0.79 -0.10 1.25 3.45 -0.82 -0.07 116.42 121.30 1nf2 h ASP 758 Ca 0.06 -0.15 -0.04 0.00 0.43 0.00 0.00 57.03 57.34 1nf2 h ASP 758 Cb 0.58 -0.21 -0.00 0.00 -0.56 0.00 0.00 39.33 39.14 1nf2 h ASP 758 CO 0.04 0.78 -0.09 -0.33 -1.57 0.00 0.00 179.24 178.07 1nf2 h GLU 759 N 0.81 0.24 -0.79 3.56 5.08 -1.31 -2.92 114.58 119.25 1nf2 h GLU 759 Ca 0.18 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1nf2 h GLU 759 Cb 0.31 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 1nf2 h GLU 759 CO 0.00 0.64 0.48 -0.07 -1.00 0.00 0.00 179.01 179.06 1nf2 h LEU 760 N -0.16 0.95 -1.18 1.33 3.38 -1.05 -1.44 115.31 117.14 1nf2 h LEU 760 Ca 0.02 -0.07 0.10 0.00 0.09 0.00 0.00 57.88 58.02 1nf2 h LEU 760 Cb 0.60 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 41.04 1nf2 h LEU 760 CO 0.02 0.74 0.58 0.50 0.09 0.00 0.00 178.44 180.37 1nf2 h LYS 761 N 1.09 0.87 0.48 1.13 3.11 -1.01 -0.29 116.57 121.94 1nf2 h LYS 761 Ca 0.28 -0.05 -0.02 0.00 -2.81 0.00 0.00 60.65 58.05 1nf2 h LYS 761 Cb -0.04 -0.20 0.00 0.00 -1.00 0.00 0.00 32.23 31.00 1nf2 h LYS 761 CO -0.05 0.57 -0.23 1.49 -2.81 0.00 0.00 179.45 178.42 1nf2 h GLU 762 N 0.89 -0.62 -0.36 1.90 4.81 -1.08 -1.79 114.58 118.32 1nf2 h GLU 762 Ca 0.42 0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.60 1nf2 h GLU 762 Cb 0.42 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 1nf2 h GLU 762 CO -0.19 -0.34 -0.13 -0.84 -0.73 0.00 0.00 179.01 176.79 1nf2 h ILE 763 N -0.84 1.28 -0.21 2.32 3.07 -1.07 -1.87 117.51 120.20 1nf2 h ILE 763 Ca -0.07 -1.23 -0.12 0.00 1.55 0.00 0.00 64.86 65.00 1nf2 h ILE 763 Cb 0.58 1.32 -0.01 0.00 -0.27 0.00 0.00 36.82 38.43 1nf2 h ILE 763 CO 0.11 0.40 -0.38 -0.07 -1.05 0.00 0.00 178.15 177.17 1nf2 h LEU 764 N 0.52 0.49 -0.37 0.16 3.38 -1.15 0.38 115.31 118.72 1nf2 h LEU 764 Ca 0.09 -0.20 -0.18 0.00 0.09 0.00 0.00 57.88 57.68 1nf2 h LEU 764 Cb 0.66 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 1nf2 h LEU 764 CO 0.04 0.82 -0.55 -1.28 0.09 0.00 0.00 178.44 177.56 1nf2 h SER 765 N 0.39 0.87 0.28 -0.43 0.87 -1.31 0.32 113.55 114.55 1nf2 h SER 765 Ca 0.04 -0.47 -0.16 0.00 -1.23 0.00 0.00 61.79 59.97 1nf2 h SER 765 Cb 0.84 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.54 1nf2 h SER 765 CO 0.07 1.24 -0.65 -0.33 -0.53 0.00 0.00 176.83 176.63 1nf2 h GLU 766 N 0.60 0.34 0.01 2.24 4.39 -1.14 -1.55 114.58 119.47 1nf2 h GLU 766 Ca 0.01 -0.25 -0.24 0.00 0.34 0.00 0.00 59.36 59.22 1nf2 h GLU 766 Cb 1.14 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.80 1nf2 h GLU 766 CO 0.12 0.87 -1.24 -0.09 -1.16 0.00 0.00 179.01 177.51 1nf2 h ARG 767 N 0.25 0.02 -0.05 2.33 9.65 -0.87 -3.38 114.38 122.32 1nf2 h ARG 767 Ca -0.01 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.83 1nf2 h ARG 767 Cb 1.19 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.78 1nf2 h ARG 767 CO 0.11 0.86 0.00 1.19 2.80 0.00 0.00 179.97 184.93 1nf2 n PHE 768 N -3.27 0.10 0.28 2.20 3.72 0.10 -4.76 117.46 115.82 1nf2 n PHE 768 Ca -0.06 -0.63 0.16 0.00 -0.05 0.00 0.00 57.45 56.87 1nf2 n PHE 768 Cb 0.98 -0.08 0.77 0.00 -0.94 0.00 0.00 39.48 40.21 1nf2 n PHE 768 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1nf2 h LYS 769 N 0.33 0.00 0.00 -1.08 3.64 -1.44 -0.81 116.57 117.21 1nf2 h LYS 769 Ca 0.00 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 1nf2 h LYS 769 Cb 0.68 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.49 1nf2 h LYS 769 CO 0.01 0.00 -0.36 -0.44 -2.27 0.00 0.00 179.45 176.39 1nf2 h ASP 770 N 0.00 0.00 0.00 4.20 3.45 -1.86 -3.38 116.42 118.83 1nf2 h ASP 770 Ca 0.05 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.51 1nf2 h ASP 770 Cb 0.82 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.59 1nf2 h ASP 770 CO -0.00 0.36 0.00 1.33 -1.57 0.00 0.00 179.24 179.36 1nf2 n VAL 771 N -3.24 0.00 -4.02 -1.35 0.24 -0.46 -5.06 118.33 104.44 1nf2 n VAL 771 Ca 0.02 -0.31 -0.10 0.00 -2.04 0.00 0.00 64.34 61.91 1nf2 n VAL 771 Cb 0.64 1.11 -0.08 0.00 -1.47 0.00 0.00 33.84 34.04 1nf2 n VAL 771 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1nf2 s VAL 772 N -0.44 0.06 -0.10 3.34 0.11 -0.44 -4.23 120.40 118.70 1nf2 s VAL 772 Ca 0.00 -1.54 0.03 0.00 -2.93 0.00 0.00 61.98 57.54 1nf2 s VAL 772 Cb 0.00 -1.97 0.01 0.00 -1.53 0.00 0.00 36.38 32.89 1nf2 s VAL 772 CO 0.00 -0.28 -0.20 -0.75 -3.33 0.00 0.00 175.10 170.54 1nf2 s LYS 773 N -4.00 2.69 -0.02 1.54 2.20 -0.00 -4.30 119.74 117.85 1nf2 s LYS 773 Ca 0.21 -0.75 0.07 0.00 -0.36 0.00 0.00 55.97 55.14 1nf2 s LYS 773 Cb 0.04 -2.10 -0.02 0.00 -1.51 0.00 0.00 37.83 34.24 1nf2 s LYS 773 CO 0.02 0.09 -0.22 0.14 -0.36 0.00 0.00 175.35 175.02 1nf2 s VAL 774 N 0.55 1.74 0.05 4.02 -7.23 -1.26 -1.31 120.40 116.96 1nf2 s VAL 774 Ca -0.15 -0.94 -0.27 0.00 -1.81 0.00 0.00 61.98 58.81 1nf2 s VAL 774 Cb -0.17 -1.44 0.09 0.00 0.56 0.00 0.00 36.38 35.42 1nf2 s VAL 774 CO 0.05 0.49 0.81 0.72 -0.31 0.00 0.00 175.10 176.86 1nf2 s PHE 775 N -0.50 -0.38 -0.19 2.82 -0.71 -0.48 -4.95 117.98 113.59 1nf2 s PHE 775 Ca 0.08 0.21 -0.22 0.00 -1.04 0.00 0.00 56.93 55.96 1nf2 s PHE 775 Cb -0.09 0.55 -0.02 0.00 -1.21 0.00 0.00 43.02 42.25 1nf2 s PHE 775 CO -0.01 -0.65 0.69 0.15 -1.34 0.00 0.00 175.22 174.06 1nf2 s LYS 776 N -3.31 4.24 0.07 1.99 -0.14 -1.26 -0.05 119.74 121.28 1nf2 s LYS 776 Ca 0.04 0.73 0.20 0.00 -1.36 0.00 0.00 55.97 55.59 1nf2 s LYS 776 Cb -0.01 -3.57 -0.14 0.00 -1.68 0.00 0.00 37.83 32.43 1nf2 s LYS 776 CO -0.09 -0.25 0.77 -1.13 -0.76 0.00 0.00 175.35 173.88 1nf2 n SER 777 N 5.06 0.60 -3.75 2.83 3.41 -0.71 -4.95 113.62 116.11 1nf2 n SER 777 Ca 0.00 0.25 -0.10 0.00 -0.26 0.00 0.00 58.87 58.76 1nf2 n SER 777 Cb 0.49 0.72 -0.04 0.00 -0.26 0.00 0.00 64.21 65.12 1nf2 n SER 777 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1nf2 s PHE 778 N -3.17 -0.06 0.51 7.33 0.08 -1.21 -4.99 117.98 116.45 1nf2 s PHE 778 Ca -0.04 -0.28 0.29 0.00 0.12 0.00 0.00 56.93 57.03 1nf2 s PHE 778 Cb 0.10 0.31 1.40 0.00 -0.57 0.00 0.00 43.02 44.26 1nf2 s PHE 778 CO 0.83 -0.85 1.86 -1.35 -0.10 0.00 0.00 175.22 175.61 1nf2 h PRO 779 N 2.28 0.09 -0.14 0.24 0.11 -1.99 -2.15 132.00 130.44 1nf2 h PRO 779 Ca -0.30 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1nf2 h PRO 779 Cb 1.26 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1nf2 h PRO 779 CO 0.41 0.06 0.00 0.25 -0.21 0.00 0.00 178.00 178.51 1nf2 n THR 780 N -4.32 0.86 -4.07 -1.15 -2.24 -1.26 -3.71 114.28 98.38 1nf2 n THR 780 Ca 0.20 -0.93 -0.33 0.00 -2.27 0.00 0.00 64.05 60.72 1nf2 n THR 780 Cb 0.96 0.59 -0.15 0.00 -2.10 0.00 0.00 70.33 69.63 1nf2 n THR 780 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1nf2 s TYR 781 N -0.92 2.88 -0.28 4.78 2.02 -0.81 -3.44 117.35 121.59 1nf2 s TYR 781 Ca 0.10 -1.63 -0.07 0.00 -0.37 0.00 0.00 57.07 55.10 1nf2 s TYR 781 Cb 0.05 -1.96 -0.01 0.00 -0.40 0.00 0.00 41.96 39.65 1nf2 s TYR 781 CO 0.07 -0.78 0.08 -1.17 -1.57 0.00 0.00 175.55 172.18 1nf2 s LEU 782 N 1.30 3.67 -0.02 -1.29 0.20 0.30 -1.74 118.68 121.10 1nf2 s LEU 782 Ca 0.03 -0.49 -0.01 0.00 0.69 0.00 0.00 54.13 54.35 1nf2 s LEU 782 Cb -0.14 -1.90 -0.04 0.00 -0.43 0.00 0.00 46.19 43.68 1nf2 s LEU 782 CO -0.10 -0.13 0.07 -1.61 -0.29 0.00 0.00 176.35 174.29 1nf2 s GLU 783 N 1.55 3.07 -0.16 1.98 2.02 0.93 -0.46 118.70 127.64 1nf2 s GLU 783 Ca 0.04 -0.46 -0.00 0.00 0.02 0.00 0.00 54.97 54.58 1nf2 s GLU 783 Cb -0.16 -2.86 0.04 0.00 0.10 0.00 0.00 34.13 31.24 1nf2 s GLU 783 CO 0.03 0.66 -0.07 0.42 0.02 0.00 0.00 175.26 176.32 1nf2 s ILE 784 N -1.14 1.17 0.25 -1.63 1.09 0.23 -1.38 121.20 119.79 1nf2 s ILE 784 Ca 0.21 -0.59 0.01 0.00 -1.10 0.00 0.00 60.65 59.18 1nf2 s ILE 784 Cb -0.12 -1.28 -0.05 0.00 -1.06 0.00 0.00 42.46 39.95 1nf2 s ILE 784 CO 0.11 0.21 0.09 0.68 -0.10 0.00 0.00 174.94 175.94 1nf2 s VAL 785 N 1.62 0.54 0.76 2.92 -7.23 -0.43 -1.06 120.40 117.52 1nf2 s VAL 785 Ca 0.02 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.05 1nf2 s VAL 785 Cb -0.15 -2.61 0.06 0.00 0.56 0.00 0.00 36.38 34.24 1nf2 s VAL 785 CO -0.08 -0.02 1.19 -2.84 -0.31 0.00 0.00 175.10 173.04 1nf2 s PRO 786 N -4.04 1.95 0.02 4.82 0.02 -1.26 -0.82 135.00 135.70 1nf2 s PRO 786 Ca 0.37 1.69 -0.20 0.00 0.02 0.00 0.00 61.00 62.88 1nf2 s PRO 786 Cb 0.08 -1.82 -0.17 0.00 0.02 0.00 0.00 34.50 32.60 1nf2 s PRO 786 CO 0.13 -1.96 1.24 0.87 -0.33 0.00 0.00 177.00 176.95 1nf2 h LYS 787 N -0.61 0.39 -2.48 5.54 1.57 -1.87 -3.38 116.57 115.73 1nf2 h LYS 787 Ca -0.47 -0.28 -0.75 0.00 -1.87 0.00 0.00 60.65 57.29 1nf2 h LYS 787 Cb 1.29 0.05 -0.17 0.00 0.08 0.00 0.00 32.23 33.48 1nf2 h LYS 787 CO 0.48 0.90 1.93 0.09 -0.57 0.00 0.00 179.45 182.28 1nf2 n ASN 788 N -4.42 7.79 -3.79 0.86 3.02 -1.26 -4.93 115.26 112.53 1nf2 n ASN 788 Ca -0.08 -3.30 -0.15 0.00 -0.03 0.00 0.00 54.58 51.02 1nf2 n ASN 788 Cb 0.48 -1.30 -0.16 0.00 -0.61 0.00 0.00 39.78 38.19 1nf2 n ASN 788 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1nf2 s VAL 789 N -2.11 -0.00 0.04 2.41 -7.23 -1.26 -5.04 120.40 107.21 1nf2 s VAL 789 Ca 0.50 0.18 -0.27 0.00 -1.81 0.00 0.00 61.98 60.58 1nf2 s VAL 789 Cb 0.20 -0.12 0.09 0.00 0.56 0.00 0.00 36.38 37.11 1nf2 s VAL 789 CO -0.12 0.10 0.83 1.51 -0.31 0.00 0.00 175.10 177.12 1nf2 s ASP 790 N 1.03 -0.39 0.46 4.85 1.47 -1.24 -4.94 116.67 117.91 1nf2 s ASP 790 Ca -0.09 -0.02 0.19 0.00 1.18 0.00 0.00 52.55 53.81 1nf2 s ASP 790 Cb -0.13 0.43 1.18 0.00 -0.34 0.00 0.00 42.92 44.07 1nf2 s ASP 790 CO -0.03 -0.71 1.95 0.11 0.68 0.00 0.00 175.17 177.17 1nf2 h LYS 791 N 2.00 0.26 -0.25 2.11 1.57 -1.69 -2.31 116.57 118.26 1nf2 h LYS 791 Ca -0.24 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.51 1nf2 h LYS 791 Cb 1.25 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.50 1nf2 h LYS 791 CO 0.32 0.17 0.12 0.78 -0.57 0.00 0.00 179.45 180.27 1nf2 h GLY 792 N 0.26 0.38 1.25 3.86 0.00 -1.83 0.23 103.07 107.22 1nf2 h GLY 792 Ca 0.33 -0.19 -0.10 0.00 0.00 0.00 0.00 47.33 47.37 1nf2 h GLY 792 CO -0.08 0.18 -0.10 0.50 0.00 0.00 0.00 176.54 177.04 1nf2 h LYS 793 N 0.27 0.88 -0.69 4.80 1.57 -1.73 -1.10 116.57 120.56 1nf2 h LYS 793 Ca 0.08 -0.30 -0.06 0.00 -1.87 0.00 0.00 60.65 58.50 1nf2 h LYS 793 Cb 0.12 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 1nf2 h LYS 793 CO -0.01 0.94 0.19 0.00 -0.57 0.00 0.00 179.45 180.01 1nf2 h ALA 794 N 1.08 1.03 -0.13 3.86 0.00 -1.31 -0.88 119.26 122.91 1nf2 h ALA 794 Ca 0.13 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 1nf2 h ALA 794 Cb 0.62 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1nf2 h ALA 794 CO 0.04 0.64 -0.47 1.25 0.00 0.00 0.00 179.25 180.71 1nf2 h LEU 795 N 1.04 0.35 -0.45 0.00 5.85 -0.57 -1.74 115.31 119.79 1nf2 h LEU 795 Ca 0.22 -0.17 -0.16 0.00 0.84 0.00 0.00 57.88 58.62 1nf2 h LEU 795 Cb 0.33 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1nf2 h LEU 795 CO -0.00 0.78 -0.44 -0.09 -0.34 0.00 0.00 178.44 178.35 1nf2 h ARG 796 N 0.27 0.80 -0.57 1.25 2.43 -0.93 -0.53 114.38 117.10 1nf2 h ARG 796 Ca 0.02 -0.44 -0.02 0.00 -0.81 0.00 0.00 59.98 58.72 1nf2 h ARG 796 Cb 0.93 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.48 1nf2 h ARG 796 CO 0.08 1.08 0.28 0.35 -1.51 0.00 0.00 179.97 180.24 1nf2 h PHE 797 N 0.65 0.82 -0.70 2.20 3.57 -0.97 -1.81 116.94 120.69 1nf2 h PHE 797 Ca 0.04 -0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.44 1nf2 h PHE 797 Cb 1.01 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 39.46 1nf2 h PHE 797 CO 0.06 0.62 0.18 1.25 -2.23 0.00 0.00 178.31 178.19 1nf2 h LEU 798 N 0.77 1.05 -0.94 0.59 5.85 -1.15 -2.06 115.31 119.42 1nf2 h LEU 798 Ca 0.20 -0.23 0.02 0.00 0.84 0.00 0.00 57.88 58.71 1nf2 h LEU 798 Cb 0.11 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 40.81 1nf2 h LEU 798 CO -0.03 1.00 0.61 0.03 -0.34 0.00 0.00 178.44 179.72 1nf2 h ARG 799 N 1.05 1.19 -0.12 1.25 3.08 -0.63 0.11 114.38 120.30 1nf2 h ARG 799 Ca 0.22 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.18 1nf2 h ARG 799 Cb 0.35 -0.27 -0.00 0.00 0.08 0.00 0.00 29.97 30.13 1nf2 h ARG 799 CO -0.00 0.79 -0.00 0.93 -1.07 0.00 0.00 179.97 180.62 1nf2 h GLU 800 N 1.23 0.22 0.25 0.04 4.39 -1.10 0.42 114.58 120.02 1nf2 h GLU 800 Ca 0.36 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.99 1nf2 h GLU 800 Cb -0.08 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.53 1nf2 h GLU 800 CO -0.10 0.46 -0.26 -0.09 -1.16 0.00 0.00 179.01 177.87 1nf2 h ARG 801 N -0.05 -0.53 0.00 2.33 1.12 -1.01 -3.01 114.38 113.23 1nf2 h ARG 801 Ca 0.03 0.04 0.00 0.00 -1.11 0.00 0.00 59.98 58.94 1nf2 h ARG 801 Cb 0.37 0.12 0.00 0.00 -0.01 0.00 0.00 29.97 30.45 1nf2 h ARG 801 CO 0.01 -0.35 -0.20 -1.33 -3.11 0.00 0.00 179.97 174.98 1nf2 n MET 802 N -5.38 0.22 -1.08 0.20 2.81 0.35 -4.95 117.12 109.29 1nf2 n MET 802 Ca -0.08 0.14 -0.03 0.00 -1.81 0.00 0.00 57.70 55.92 1nf2 n MET 802 Cb 0.29 -1.72 -0.01 0.00 -0.71 0.00 0.00 33.22 31.07 1nf2 n MET 802 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1nf2 n ASN 803 N -2.08 -3.44 -4.75 7.83 2.85 0.14 -5.01 115.26 110.79 1nf2 n ASN 803 Ca 0.05 0.07 -0.39 0.00 -0.11 0.00 0.00 54.58 54.20 1nf2 n ASN 803 Cb 0.42 -1.20 0.04 0.00 1.24 0.00 0.00 39.78 40.28 1nf2 n ASN 803 CO 0.00 0.00 0.00 0.79 -2.11 0.00 0.00 177.26 175.94 1nf2 n TRP 804 N -2.88 2.42 -4.12 1.20 5.03 -0.66 -4.99 117.44 113.43 1nf2 n TRP 804 Ca -0.03 0.43 -0.32 0.00 3.03 0.00 0.00 57.50 60.61 1nf2 n TRP 804 Cb 0.11 -2.39 -0.07 0.00 -1.03 0.00 0.00 31.31 27.93 1nf2 n TRP 804 CO 0.00 0.00 0.00 -1.59 -0.03 0.00 0.00 177.69 176.07 1nf2 s LYS 805 N -2.79 2.92 0.17 -0.99 -2.85 -1.26 -4.76 119.74 110.18 1nf2 s LYS 805 Ca 0.69 -0.60 -0.23 0.00 -1.00 0.00 0.00 55.97 54.84 1nf2 s LYS 805 Cb -0.42 -2.76 0.07 0.00 -2.06 0.00 0.00 37.83 32.66 1nf2 s LYS 805 CO 0.51 0.61 1.59 0.87 0.10 0.00 0.00 175.35 179.03 1nf2 h LYS 806 N 3.85 -0.22 0.00 1.78 1.57 -1.95 -2.54 116.57 119.05 1nf2 h LYS 806 Ca -0.48 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1nf2 h LYS 806 Cb 1.17 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.53 1nf2 h LYS 806 CO 0.62 -0.15 0.15 -1.91 -0.57 0.00 0.00 179.45 177.60 1nf2 n GLU 807 N -5.42 0.05 -0.35 3.15 2.13 -1.26 -0.32 120.64 118.61 1nf2 n GLU 807 Ca 0.02 0.46 0.08 0.00 0.66 0.00 0.00 57.16 58.38 1nf2 n GLU 807 Cb 0.34 -1.80 0.24 0.00 0.27 0.00 0.00 31.44 30.49 1nf2 n GLU 807 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 1nf2 n GLU 808 N -1.69 3.07 -4.37 5.31 0.28 -0.96 -4.70 120.64 117.58 1nf2 n GLU 808 Ca -0.00 -2.47 -0.34 0.00 -0.16 0.00 0.00 57.16 54.18 1nf2 n GLU 808 Cb 0.16 -1.56 -0.10 0.00 1.43 0.00 0.00 31.44 31.37 1nf2 n GLU 808 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1nf2 s ILE 809 N -1.56 4.17 -0.06 3.84 -1.09 0.56 -1.76 121.20 125.31 1nf2 s ILE 809 Ca 0.36 -0.28 0.05 0.00 -2.23 0.00 0.00 60.65 58.55 1nf2 s ILE 809 Cb 0.23 -2.78 -0.01 0.00 -1.58 0.00 0.00 42.46 38.32 1nf2 s ILE 809 CO 0.18 0.56 -0.22 -0.69 -1.23 0.00 0.00 174.94 173.54 1nf2 s VAL 810 N -0.36 1.80 -0.03 2.92 1.01 -0.78 -0.85 120.40 124.10 1nf2 s VAL 810 Ca 0.07 -0.91 0.04 0.00 0.00 0.00 0.00 61.98 61.18 1nf2 s VAL 810 Cb -0.12 -1.53 -0.01 0.00 0.00 0.00 0.00 36.38 34.72 1nf2 s VAL 810 CO 0.02 0.50 -0.17 0.68 0.00 0.00 0.00 175.10 176.14 1nf2 s VAL 811 N -0.00 1.36 -0.14 2.92 -7.23 -0.94 -0.72 120.40 115.65 1nf2 s VAL 811 Ca -0.06 -0.70 -0.02 0.00 -1.81 0.00 0.00 61.98 59.40 1nf2 s VAL 811 Cb -0.13 -1.16 -0.02 0.00 0.56 0.00 0.00 36.38 35.63 1nf2 s VAL 811 CO 0.04 0.39 -0.09 -0.36 -0.31 0.00 0.00 175.10 174.76 1nf2 s PHE 812 N -0.08 2.89 -0.05 2.82 0.08 -0.26 -1.24 117.98 122.13 1nf2 s PHE 812 Ca -0.01 -0.54 -0.30 0.00 0.12 0.00 0.00 56.93 56.20 1nf2 s PHE 812 Cb -0.10 -1.90 0.08 0.00 -0.57 0.00 0.00 43.02 40.53 1nf2 s PHE 812 CO 0.01 -0.17 0.73 0.20 -0.10 0.00 0.00 175.22 175.89 1nf2 s GLY 813 N 0.41 -0.53 0.00 4.36 0.00 -0.77 -2.70 107.32 108.10 1nf2 s GLY 813 Ca -0.08 1.37 0.03 0.00 0.00 0.00 0.00 44.72 46.04 1nf2 s GLY 813 CO 0.04 0.91 0.18 2.09 0.00 0.00 0.00 173.10 176.32 1nf2 n ASP 814 N 0.78 0.29 -4.98 1.64 3.85 -1.26 -3.75 116.55 113.12 1nf2 n ASP 814 Ca -0.17 -0.64 -0.19 0.00 -0.71 0.00 0.00 54.79 53.07 1nf2 n ASP 814 Cb 0.58 0.85 0.04 0.00 -1.35 0.00 0.00 41.12 41.23 1nf2 n ASP 814 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.20 176.39 1nf2 s ASN 815 N -1.09 5.34 0.11 -1.12 0.02 -1.26 -3.07 114.94 113.87 1nf2 s ASN 815 Ca 0.01 -0.39 -0.05 0.00 -1.02 0.00 0.00 52.86 51.41 1nf2 s ASN 815 Cb 0.02 -0.47 -0.17 0.00 0.02 0.00 0.00 41.25 40.65 1nf2 s ASN 815 CO 0.09 -1.07 1.24 -0.33 0.02 0.00 0.00 177.10 177.05 1nf2 h GLU 816 N 0.30 0.36 -0.40 -0.60 4.39 -1.99 -2.59 114.58 114.04 1nf2 h GLU 816 Ca -0.38 -0.46 -0.05 0.00 0.34 0.00 0.00 59.36 58.80 1nf2 h GLU 816 Cb 1.28 0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 30.06 1nf2 h GLU 816 CO 0.46 1.15 0.03 -0.91 -1.16 0.00 0.00 179.01 178.58 1nf2 h ASN 817 N 0.16 0.59 1.75 1.42 -0.26 -2.02 -2.74 115.58 114.48 1nf2 h ASN 817 Ca -0.10 -0.11 -0.01 0.00 -0.56 0.00 0.00 56.30 55.51 1nf2 h ASN 817 Cb 1.74 -0.15 -0.00 0.00 -1.06 0.00 0.00 38.32 38.85 1nf2 h ASN 817 CO 0.18 0.64 -0.07 0.44 -1.06 0.00 0.00 177.43 177.57 1nf2 h ASP 818 N 0.60 0.00 -0.58 5.81 3.45 -1.90 -3.23 116.42 120.57 1nf2 h ASP 818 Ca 0.13 0.00 0.05 0.00 0.43 0.00 0.00 57.03 57.64 1nf2 h ASP 818 Cb 0.34 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 39.08 1nf2 h ASP 818 CO 0.01 0.07 0.39 0.25 -1.57 0.00 0.00 179.24 178.38 1nf2 h LEU 819 N 0.00 0.53 -1.76 1.55 5.85 -1.14 -0.31 115.31 120.03 1nf2 h LEU 819 Ca -0.00 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1nf2 h LEU 819 Cb 0.96 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.86 1nf2 h LEU 819 CO 0.01 0.35 -0.06 -0.26 -0.34 0.00 0.00 178.44 178.14 1nf2 h PHE 820 N 0.61 0.07 0.00 1.25 0.04 -1.69 -2.35 116.94 114.87 1nf2 h PHE 820 Ca 0.24 -0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.89 1nf2 h PHE 820 Cb 0.20 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.31 1nf2 h PHE 820 CO -0.00 0.14 -0.59 0.52 -0.60 0.00 0.00 178.31 177.78 1nf2 h MET 821 N 0.07 0.00 -0.72 1.51 2.86 -1.25 -3.22 114.93 114.17 1nf2 h MET 821 Ca 0.02 0.00 0.11 0.00 -2.06 0.00 0.00 59.70 57.76 1nf2 h MET 821 Cb 0.16 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.77 1nf2 h MET 821 CO 0.01 0.59 0.48 0.74 1.06 0.00 0.00 176.91 179.79 1nf2 h PHE 822 N 0.00 0.62 0.00 -0.22 0.05 -1.31 0.32 116.94 116.39 1nf2 h PHE 822 Ca -0.01 0.02 -0.02 0.00 3.82 0.00 0.00 57.97 61.78 1nf2 h PHE 822 Cb 1.21 -0.20 -0.00 0.00 2.00 0.00 0.00 35.95 38.96 1nf2 h PHE 822 CO 0.00 0.28 -0.09 0.93 -0.18 0.00 0.00 178.31 179.25 1nf2 h GLU 823 N 0.57 0.00 -0.39 1.51 4.39 -1.65 -2.64 114.58 116.37 1nf2 h GLU 823 Ca 0.34 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.04 1nf2 h GLU 823 Cb 0.55 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 1nf2 h GLU 823 CO -0.12 0.09 0.00 0.39 -1.16 0.00 0.00 179.01 178.21 1nf2 n GLU 824 N -3.37 2.46 -4.45 2.33 -0.58 0.09 -4.98 120.64 112.13 1nf2 n GLU 824 Ca -0.01 -2.21 -0.24 0.00 -0.42 0.00 0.00 57.16 54.28 1nf2 n GLU 824 Cb 0.26 -1.51 -0.10 0.00 -0.57 0.00 0.00 31.44 29.52 1nf2 n GLU 824 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1nf2 s ALA 825 N -1.50 2.74 -0.20 0.62 0.00 -0.99 -4.70 121.76 117.73 1nf2 s ALA 825 Ca 0.39 -1.82 0.20 0.00 0.00 0.00 0.00 51.96 50.73 1nf2 s ALA 825 Cb 0.22 -0.31 -0.04 0.00 0.00 0.00 0.00 23.12 22.99 1nf2 s ALA 825 CO 0.31 0.31 1.00 0.78 0.00 0.00 0.00 175.76 178.16 1nf2 h GLY 826 N 2.42 0.00 -6.48 0.00 0.00 -0.45 -3.45 103.07 95.11 1nf2 h GLY 826 Ca -0.42 0.00 -0.42 0.00 0.00 0.00 0.00 47.33 46.50 1nf2 h GLY 826 CO 0.58 0.00 -0.77 -2.27 0.00 0.00 0.00 176.54 174.08 1nf2 s LEU 827 N -5.61 1.10 -0.22 3.11 2.96 -0.80 -4.98 118.68 114.24 1nf2 s LEU 827 Ca -0.01 -0.12 -0.05 0.00 -0.22 0.00 0.00 54.13 53.74 1nf2 s LEU 827 Cb 0.09 -0.45 -0.02 0.00 0.50 0.00 0.00 46.19 46.31 1nf2 s LEU 827 CO 0.79 -0.10 -0.01 -0.13 -1.32 0.00 0.00 176.35 175.58 1nf2 s ARG 828 N 1.25 3.49 -0.24 1.98 0.52 -1.26 -2.20 118.95 122.49 1nf2 s ARG 828 Ca -0.06 -0.57 -0.03 0.00 -0.52 0.00 0.00 55.73 54.55 1nf2 s ARG 828 Cb -0.14 -3.08 0.01 0.00 0.52 0.00 0.00 34.95 32.26 1nf2 s ARG 828 CO -0.02 -0.14 -0.05 0.08 0.02 0.00 0.00 175.30 175.20 1nf2 s VAL 829 N 1.37 3.15 -0.12 3.52 1.01 -0.37 -0.08 120.40 128.88 1nf2 s VAL 829 Ca 0.04 -0.77 -0.04 0.00 0.00 0.00 0.00 61.98 61.22 1nf2 s VAL 829 Cb -0.15 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 1nf2 s VAL 829 CO -0.00 0.30 0.02 0.00 0.00 0.00 0.00 175.10 175.41 1nf2 s ALA 830 N 1.41 3.32 0.44 5.51 0.00 0.02 -1.84 121.76 130.61 1nf2 s ALA 830 Ca 0.03 -0.78 -0.04 0.00 0.00 0.00 0.00 51.96 51.17 1nf2 s ALA 830 Cb -0.15 -1.63 -0.04 0.00 0.00 0.00 0.00 23.12 21.30 1nf2 s ALA 830 CO -0.04 0.44 0.71 -1.64 0.00 0.00 0.00 175.76 175.24 1nf2 s MET 831 N -0.43 3.53 0.46 0.00 -1.94 -1.25 -1.02 119.30 118.66 1nf2 s MET 831 Ca 0.08 0.05 0.21 0.00 -1.71 0.00 0.00 55.69 54.32 1nf2 s MET 831 Cb -0.12 -2.46 1.19 0.00 2.01 0.00 0.00 34.83 35.45 1nf2 s MET 831 CO 0.02 -0.09 1.91 1.49 -0.01 0.00 0.00 175.02 178.34 1nf2 h GLU 832 N 0.43 0.26 -0.06 2.03 4.81 -1.04 0.36 114.58 121.37 1nf2 h GLU 832 Ca -0.48 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1nf2 h GLU 832 Cb 1.21 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.53 1nf2 h GLU 832 CO 0.62 0.17 0.00 0.27 -0.73 0.00 0.00 179.01 179.34 1nf2 n ASN 833 N -4.44 1.11 -4.77 1.04 6.94 -1.26 -4.93 115.26 108.96 1nf2 n ASN 833 Ca 0.15 -1.47 -0.34 0.00 -0.02 0.00 0.00 54.58 52.90 1nf2 n ASN 833 Cb 0.66 -0.03 0.03 0.00 -2.36 0.00 0.00 39.78 38.07 1nf2 n ASN 833 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1nf2 s ALA 834 N -1.93 2.57 0.79 -2.53 0.00 0.12 -5.00 121.76 115.78 1nf2 s ALA 834 Ca 0.37 0.77 -0.12 0.00 0.00 0.00 0.00 51.96 52.97 1nf2 s ALA 834 Cb 0.19 -3.37 0.08 0.00 0.00 0.00 0.00 23.12 20.02 1nf2 s ALA 834 CO 0.30 -1.05 1.15 0.96 0.00 0.00 0.00 175.76 177.13 1nf2 s ILE 835 N -1.94 2.51 0.27 0.00 -4.36 -1.17 -4.76 121.20 111.75 1nf2 s ILE 835 Ca 0.72 0.20 0.00 0.00 -0.26 0.00 0.00 60.65 61.32 1nf2 s ILE 835 Cb -0.24 -2.56 0.26 0.00 1.25 0.00 0.00 42.46 41.16 1nf2 s ILE 835 CO 0.33 -0.18 1.75 -0.33 0.24 0.00 0.00 174.94 176.75 1nf2 h GLU 836 N -0.97 0.58 -0.89 0.37 4.39 -1.94 -1.90 114.58 114.21 1nf2 h GLU 836 Ca -0.45 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.22 1nf2 h GLU 836 Cb 1.27 -0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 29.74 1nf2 h GLU 836 CO 0.48 0.38 0.57 -0.22 -1.16 0.00 0.00 179.01 179.06 1nf2 h LYS 837 N 0.60 1.19 -0.10 2.33 3.64 -1.98 -0.93 116.57 121.32 1nf2 h LYS 837 Ca 0.49 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.76 1nf2 h LYS 837 Cb 0.75 -0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1nf2 h LYS 837 CO -0.39 0.81 -0.02 0.28 -2.27 0.00 0.00 179.45 177.86 1nf2 h VAL 838 N 1.22 1.28 -0.69 2.00 2.07 -1.68 -2.58 116.25 117.87 1nf2 h VAL 838 Ca 0.32 -0.92 0.03 0.00 0.82 0.00 0.00 66.70 66.96 1nf2 h VAL 838 Cb -0.10 1.71 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 1nf2 h VAL 838 CO -0.07 0.26 0.43 0.11 0.02 0.00 0.00 177.57 178.32 1nf2 h LYS 839 N -0.14 0.81 0.00 1.57 1.57 -1.18 -1.17 116.57 118.03 1nf2 h LYS 839 Ca 0.02 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1nf2 h LYS 839 Cb 0.42 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 1nf2 h LYS 839 CO 0.01 0.53 -0.07 0.93 -0.57 0.00 0.00 179.45 180.28 1nf2 h GLU 840 N 0.83 0.00 -0.00 3.15 5.08 -1.14 -2.45 114.58 120.05 1nf2 h GLU 840 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1nf2 h GLU 840 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1nf2 h GLU 840 CO -0.11 0.07 -0.59 0.00 -1.00 0.00 0.00 179.01 177.38 1nf2 n ALA 841 N -2.20 3.79 -1.96 3.43 0.00 -0.51 -4.97 120.51 118.10 1nf2 n ALA 841 Ca -0.02 -0.46 -0.23 0.00 0.00 0.00 0.00 53.44 52.73 1nf2 n ALA 841 Cb 0.22 -0.99 0.07 0.00 0.00 0.00 0.00 19.45 18.75 1nf2 n ALA 841 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1nf2 s SER 842 N -2.85 4.86 -0.16 0.00 1.04 -0.81 -4.95 113.70 110.83 1nf2 s SER 842 Ca 0.14 0.08 -0.00 0.00 0.48 0.00 0.00 55.95 56.64 1nf2 s SER 842 Cb 0.17 -0.75 -0.23 0.00 0.10 0.00 0.00 66.02 65.31 1nf2 s SER 842 CO 0.70 -1.50 0.19 0.47 0.98 0.00 0.00 173.24 174.08 1nf2 n ASP 843 N -2.68 1.82 -3.92 7.02 8.00 0.89 -4.96 116.55 122.71 1nf2 n ASP 843 Ca 0.10 0.11 -0.15 0.00 0.71 0.00 0.00 54.79 55.56 1nf2 n ASP 843 Cb 0.60 -0.52 -0.14 0.00 -0.02 0.00 0.00 41.12 41.03 1nf2 n ASP 843 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1nf2 s ILE 844 N -2.55 0.28 -0.34 0.53 1.01 -1.00 -5.04 121.20 114.09 1nf2 s ILE 844 Ca -0.24 -0.14 -0.06 0.00 0.00 0.00 0.00 60.65 60.22 1nf2 s ILE 844 Cb 0.07 -0.25 0.04 0.00 0.01 0.00 0.00 42.46 42.34 1nf2 s ILE 844 CO 0.73 0.09 0.10 0.54 0.00 0.00 0.00 174.94 176.39 1nf2 s VAL 845 N 0.01 3.65 0.00 2.92 0.11 -1.25 -0.80 120.40 125.04 1nf2 s VAL 845 Ca 0.00 -1.21 0.00 0.00 -2.93 0.00 0.00 61.98 57.85 1nf2 s VAL 845 Cb -0.02 -3.09 0.00 0.00 -1.53 0.00 0.00 36.38 31.73 1nf2 s VAL 845 CO -0.00 -0.19 0.00 1.07 -3.33 0.00 0.00 175.10 172.65 1nf2 n THR 846 N 4.78 0.00 -1.12 5.04 5.66 -0.19 -4.82 114.28 123.62 1nf2 n THR 846 Ca -0.12 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.67 1nf2 n THR 846 Cb 0.44 -1.72 0.16 0.00 -1.55 0.00 0.00 70.33 67.66 1nf2 n THR 846 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1nf2 n LEU 847 N 0.00 0.00 -4.75 1.09 4.77 -1.26 -1.63 117.00 115.22 1nf2 n LEU 847 Ca 0.00 -0.87 -0.30 0.00 -0.03 0.00 0.00 56.01 54.81 1nf2 n LEU 847 Cb 0.00 -0.69 0.11 0.00 -2.33 0.00 0.00 43.42 40.51 1nf2 n LEU 847 CO 0.00 -1.59 0.69 -0.89 -1.33 0.00 0.00 177.39 174.27 1nf2 s THR 848 N -2.57 3.01 -0.92 -5.08 2.01 -1.26 -2.59 115.64 108.23 1nf2 s THR 848 Ca 0.50 0.33 0.21 0.00 0.31 0.00 0.00 61.69 63.04 1nf2 s THR 848 Cb -0.04 -2.88 0.18 0.00 0.01 0.00 0.00 72.50 69.78 1nf2 s THR 848 CO 0.37 -0.43 1.66 -0.46 -0.69 0.00 0.00 174.62 175.07 1nf2 n ASN 849 N -3.65 0.14 0.05 3.53 2.04 -1.26 -1.68 115.26 114.42 1nf2 n ASN 849 Ca 0.08 0.52 -0.18 0.00 -0.44 0.00 0.00 54.58 54.56 1nf2 n ASN 849 Cb 0.55 -0.56 -0.14 0.00 -2.53 0.00 0.00 39.78 37.10 1nf2 n ASN 849 CO 0.00 0.00 0.00 0.78 -0.44 0.00 0.00 177.26 177.60 1nf2 h ASN 850 N 0.00 0.41 0.00 0.53 -0.26 -1.90 -3.28 115.58 111.08 1nf2 h ASN 850 Ca 0.00 -0.61 0.00 0.00 -0.56 0.00 0.00 56.30 55.13 1nf2 h ASN 850 Cb 0.38 -0.13 0.00 0.00 -1.06 0.00 0.00 38.32 37.50 1nf2 h ASN 850 CO 0.00 1.51 0.00 0.47 -1.06 0.00 0.00 177.43 178.35 1nf2 n ASP 851 N -3.45 0.00 -3.22 5.81 8.00 -1.07 -4.96 116.55 117.66 1nf2 n ASP 851 Ca -0.19 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.05 1nf2 n ASP 851 Cb 1.05 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 42.09 1nf2 n ASP 851 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1nf2 n SER 852 N 0.00 3.02 -0.21 -2.24 7.64 -1.25 -4.90 113.62 115.68 1nf2 n SER 852 Ca 0.00 -3.33 0.01 0.00 1.01 0.00 0.00 58.87 56.56 1nf2 n SER 852 Cb 0.00 -0.63 0.12 0.00 -1.01 0.00 0.00 64.21 62.69 1nf2 n SER 852 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1nf2 h GLY 853 N 3.68 0.80 0.32 0.23 0.00 -1.51 -1.48 103.07 105.11 1nf2 h GLY 853 Ca 0.15 -0.03 0.03 0.00 0.00 0.00 0.00 47.33 47.48 1nf2 h GLY 853 CO 0.73 -0.13 -0.32 -2.08 0.00 0.00 0.00 176.54 174.74 1nf2 h VAL 854 N 0.26 0.30 -0.90 4.60 2.07 -1.84 -2.66 116.25 118.09 1nf2 h VAL 854 Ca 0.33 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.89 1nf2 h VAL 854 Cb 0.50 0.30 -0.06 0.00 -1.52 0.00 0.00 31.29 30.52 1nf2 h VAL 854 CO -0.42 0.00 0.57 0.28 0.02 0.00 0.00 177.57 178.02 1nf2 h SER 855 N -0.48 0.94 -0.72 0.57 0.02 -1.79 -0.98 113.55 111.11 1nf2 h SER 855 Ca 0.06 -0.00 0.21 0.00 -0.84 0.00 0.00 61.79 61.22 1nf2 h SER 855 Cb 0.56 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.87 1nf2 h SER 855 CO -0.26 0.63 0.58 0.22 -1.14 0.00 0.00 176.83 176.86 1nf2 h TYR 856 N 1.09 0.00 0.00 3.45 5.03 -0.92 -2.03 116.97 123.60 1nf2 h TYR 856 Ca 0.37 0.00 -0.42 0.00 2.58 0.00 0.00 58.73 61.26 1nf2 h TYR 856 Cb 0.06 0.00 -0.07 0.00 1.55 0.00 0.00 36.73 38.27 1nf2 h TYR 856 CO -0.02 0.00 -2.46 0.28 -1.32 0.00 0.00 178.16 174.65 1nf2 n VAL 857 N -4.09 1.52 -0.30 1.81 0.31 -0.86 -4.48 118.33 112.24 1nf2 n VAL 857 Ca 0.15 -0.47 0.21 0.00 -0.01 0.00 0.00 64.34 64.22 1nf2 n VAL 857 Cb 0.84 -1.68 0.50 0.00 -0.91 0.00 0.00 33.84 32.60 1nf2 n VAL 857 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1nf2 h LEU 858 N -0.52 0.45 0.00 7.52 5.85 -0.85 0.31 115.31 128.08 1nf2 h LEU 858 Ca -0.63 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.16 1nf2 h LEU 858 Cb 1.75 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.77 1nf2 h LEU 858 CO -0.25 0.13 0.00 -0.62 -0.34 0.00 0.00 178.44 177.36 1nf2 n GLU 859 N -4.58 0.25 0.00 1.25 1.02 -0.79 -3.74 120.64 114.04 1nf2 n GLU 859 Ca 0.23 0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.49 1nf2 n GLU 859 Cb 0.80 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.72 1nf2 n GLU 859 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1nf2 n ARG 860 N -1.29 4.62 -2.36 3.49 5.12 0.11 -5.06 116.66 121.29 1nf2 n ARG 860 Ca 0.08 0.00 -0.36 0.00 -1.93 0.00 0.00 57.85 55.64 1nf2 n ARG 860 Cb 0.14 -0.45 -0.02 0.00 -1.16 0.00 0.00 32.46 30.97 1nf2 n ARG 860 CO 0.00 0.00 0.00 0.96 -1.93 0.00 0.00 177.63 176.66 1nf2 s ILE 861 N -0.86 3.34 -0.31 0.55 -0.00 -1.00 -4.91 121.20 118.01 1nf2 s ILE 861 Ca 0.00 0.98 -0.29 0.00 -0.00 0.00 0.00 60.65 61.34 1nf2 s ILE 861 Cb 0.00 -3.48 -0.02 0.00 -0.00 0.00 0.00 42.46 38.96 1nf2 s ILE 861 CO 0.00 -0.04 1.72 -0.44 -0.00 0.00 0.00 174.94 176.17 1nf2 s SER 862 N -1.52 6.06 0.03 4.36 0.01 -1.26 -4.96 113.70 116.41 1nf2 s SER 862 Ca 0.63 1.33 0.07 0.00 1.31 0.00 0.00 55.95 59.29 1nf2 s SER 862 Cb -0.25 -2.53 -0.02 0.00 0.21 0.00 0.00 66.02 63.43 1nf2 s SER 862 CO 0.30 -1.57 -0.20 0.28 0.41 0.00 0.00 173.24 172.46 1nf2 s THR 863 N 6.33 1.62 -2.32 1.44 -1.32 -1.26 -1.48 115.64 118.65 1nf2 s THR 863 Ca 0.76 -1.12 0.27 0.00 -1.21 0.00 0.00 61.69 60.39 1nf2 s THR 863 Cb -0.22 -1.40 0.62 0.00 -1.51 0.00 0.00 72.50 69.98 1nf2 s THR 863 CO 0.33 0.24 1.82 -0.67 -2.21 0.00 0.00 174.62 174.13 1nf2 n ASP 864 N 1.99 1.09 -4.92 8.08 4.64 -1.20 -4.87 116.55 121.36 1nf2 n ASP 864 Ca -0.17 -1.41 -0.26 0.00 -1.38 0.00 0.00 54.79 51.57 1nf2 n ASP 864 Cb 0.53 -0.02 0.04 0.00 -1.04 0.00 0.00 41.12 40.64 1nf2 n ASP 864 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1nf2 n LEU 866 N -2.67 -2.96 0.00 0.00 7.99 -1.26 -5.13 117.00 112.97 1nf2 n LEU 866 Ca 0.06 -0.38 0.00 0.00 -0.01 0.00 0.00 56.01 55.68 1nf2 n LEU 866 Cb 0.58 -2.36 0.00 0.00 -0.11 0.00 0.00 43.42 41.54 1nf2 n LEU 866 CO 0.52 0.45 0.00 0.47 -1.51 0.00 0.00 177.39 177.32