#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h5p n ASP 595 N 0.00 0.00 0.00 7.83 8.00 -1.26 -4.63 116.55 126.49 1h5p n ASP 595 Ca 0.00 -0.47 0.00 0.00 0.71 0.00 0.00 54.79 55.03 1h5p n ASP 595 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1h5p n ASP 595 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1h5p n GLU 596 N -0.47 0.00 -0.08 -1.24 2.13 -1.26 -4.50 120.64 115.22 1h5p n GLU 596 Ca 0.00 0.00 0.26 0.00 0.66 0.00 0.00 57.16 58.08 1h5p n GLU 596 Cb 0.00 0.00 0.64 0.00 0.27 0.00 0.00 31.44 32.35 1h5p n GLU 596 CO 0.00 0.00 0.00 -0.97 -0.41 0.00 0.00 177.13 175.75 1h5p h ASN 597 N 0.00 0.00 -2.59 4.31 -0.00 -2.05 -2.58 115.58 112.67 1h5p h ASN 597 Ca 0.00 0.00 -0.71 0.00 -0.00 0.00 0.00 56.30 55.59 1h5p h ASN 597 Cb 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 38.32 37.98 1h5p h ASN 597 CO 0.00 0.00 0.16 -0.38 -0.00 0.00 0.00 177.43 177.21 1h5p n ILE 598 N -3.58 3.99 -1.68 2.57 2.08 -1.26 -5.04 119.36 116.45 1h5p n ILE 598 Ca 0.16 -5.62 -0.50 0.00 0.56 0.00 0.00 62.75 57.35 1h5p n ILE 598 Cb 1.06 -2.09 -0.05 0.00 -0.75 0.00 0.00 39.64 37.81 1h5p n ILE 598 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1h5p n ASN 599 N 1.10 3.16 -0.31 4.38 4.13 -0.98 -4.83 115.26 121.92 1h5p n ASN 599 Ca 0.28 0.96 0.14 0.00 1.68 0.00 0.00 54.58 57.63 1h5p n ASN 599 Cb 0.37 -1.32 0.55 0.00 -1.54 0.00 0.00 39.78 37.84 1h5p n ASN 599 CO 0.00 0.00 0.00 2.22 0.28 0.00 0.00 177.26 179.76 1h5p n PHE 600 N 6.62 0.00 1.50 3.10 -1.74 -1.26 -3.61 117.46 122.07 1h5p n PHE 600 Ca 0.24 0.00 0.14 0.00 -0.56 0.00 0.00 57.45 57.28 1h5p n PHE 600 Cb 0.26 -0.06 0.62 0.00 1.52 0.00 0.00 39.48 41.81 1h5p n PHE 600 CO 0.00 0.00 0.00 0.36 -0.56 0.00 0.00 176.76 176.56 1h5p n LYS 601 N -0.35 0.97 0.00 3.97 -0.00 -1.26 -4.87 118.16 116.61 1h5p n LYS 601 Ca 0.17 -0.39 0.00 0.00 -0.00 0.00 0.00 58.31 58.09 1h5p n LYS 601 Cb 0.31 -1.49 0.00 0.00 -0.00 0.00 0.00 35.03 33.85 1h5p n LYS 601 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1h5p n GLN 602 N -0.68 0.47 -0.00 -1.58 1.13 -1.24 -5.02 117.38 110.46 1h5p n GLN 602 Ca 0.17 0.00 0.02 0.00 -1.94 0.00 0.00 57.00 55.24 1h5p n GLN 602 Cb 0.28 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.60 1h5p n GLN 602 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 1h5p n SER 603 N -0.85 3.95 -3.64 1.08 7.64 -1.26 -4.72 113.62 115.83 1h5p n SER 603 Ca 0.00 -0.04 -0.27 0.00 1.01 0.00 0.00 58.87 59.57 1h5p n SER 603 Cb 0.00 1.14 -0.16 0.00 -1.01 0.00 0.00 64.21 64.18 1h5p n SER 603 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1h5p s GLU 604 N -2.17 0.29 -0.18 1.43 2.02 -1.26 -2.55 118.70 116.28 1h5p s GLU 604 Ca -0.01 -0.31 -0.09 0.00 0.02 0.00 0.00 54.97 54.58 1h5p s GLU 604 Cb 0.02 -1.81 -0.05 0.00 0.10 0.00 0.00 34.13 32.40 1h5p s GLU 604 CO 0.14 -0.74 0.11 -1.17 0.02 0.00 0.00 175.26 173.63 1h5p s LEU 605 N 2.02 4.14 0.03 1.80 2.96 0.30 -4.86 118.68 125.08 1h5p s LEU 605 Ca 0.03 0.24 -0.30 0.00 -0.22 0.00 0.00 54.13 53.87 1h5p s LEU 605 Cb -0.16 -2.05 -0.06 0.00 0.50 0.00 0.00 46.19 44.42 1h5p s LEU 605 CO -0.14 0.23 1.31 -2.16 -1.32 0.00 0.00 176.35 174.26 1h5p s PRO 606 N 0.08 4.34 0.15 0.98 0.04 -1.26 -0.61 135.00 138.72 1h5p s PRO 606 Ca 0.08 1.88 0.10 0.00 0.04 0.00 0.00 61.00 63.10 1h5p s PRO 606 Cb -0.11 -3.44 -0.04 0.00 0.04 0.00 0.00 34.50 30.94 1h5p s PRO 606 CO -0.00 -0.43 -0.19 0.14 0.04 0.00 0.00 177.00 176.55 1h5p s VAL 607 N 1.73 2.72 -0.26 -0.36 -7.23 -0.30 -0.96 120.40 115.75 1h5p s VAL 607 Ca 0.61 -1.70 -0.02 0.00 -1.81 0.00 0.00 61.98 59.06 1h5p s VAL 607 Cb -0.31 -2.28 0.12 0.00 0.56 0.00 0.00 36.38 34.47 1h5p s VAL 607 CO 0.27 -0.00 0.24 0.42 -0.31 0.00 0.00 175.10 175.72 1h5p s THR 608 N -1.38 -0.30 -0.35 5.32 -4.23 0.36 -0.89 115.64 114.15 1h5p s THR 608 Ca 0.20 -0.44 -0.05 0.00 -1.18 0.00 0.00 61.69 60.22 1h5p s THR 608 Cb -0.09 -0.89 0.06 0.00 1.34 0.00 0.00 72.50 72.91 1h5p s THR 608 CO 0.11 -0.45 0.11 0.00 -0.54 0.00 0.00 174.62 173.85 1h5p n GLY 610 N 4.74 -0.37 3.59 0.00 0.00 -1.25 -1.35 105.19 110.55 1h5p n GLY 610 Ca -0.11 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1h5p n GLY 610 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1h5p n GLU 611 N -4.03 0.00 -3.03 1.61 1.02 -1.26 -4.79 120.64 110.16 1h5p n GLU 611 Ca -0.28 0.00 -0.44 0.00 -0.02 0.00 0.00 57.16 56.42 1h5p n GLU 611 Cb 0.66 -3.38 -0.04 0.00 -0.02 0.00 0.00 31.44 28.67 1h5p n GLU 611 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1h5p s VAL 612 N -2.40 4.71 0.97 2.62 1.01 -0.46 -5.04 120.40 121.81 1h5p s VAL 612 Ca 0.00 -0.97 -0.12 0.00 0.00 0.00 0.00 61.98 60.88 1h5p s VAL 612 Cb 0.00 -4.58 0.17 0.00 0.00 0.00 0.00 36.38 31.97 1h5p s VAL 612 CO 0.00 -1.27 1.10 -0.75 0.00 0.00 0.00 175.10 174.18 1h5p s LYS 613 N 2.95 0.63 -0.23 2.72 2.20 -1.26 -0.82 119.74 125.92 1h5p s LYS 613 Ca 0.18 0.48 -0.37 0.00 -0.36 0.00 0.00 55.97 55.90 1h5p s LYS 613 Cb -0.19 -1.76 0.15 0.00 -1.51 0.00 0.00 37.83 34.52 1h5p s LYS 613 CO 0.04 -2.59 1.33 0.20 -0.36 0.00 0.00 175.35 173.98 1h5p s GLY 614 N -3.59 -0.26 -0.31 5.54 0.00 -0.07 -4.65 107.32 103.98 1h5p s GLY 614 Ca 0.65 1.70 -0.11 0.00 0.00 0.00 0.00 44.72 46.96 1h5p s GLY 614 CO 0.57 0.55 0.19 -1.59 0.00 0.00 0.00 173.10 172.82 1h5p s THR 615 N -2.17 4.99 -0.14 0.90 2.01 -1.02 -1.14 115.64 119.07 1h5p s THR 615 Ca 0.11 -0.22 -0.14 0.00 0.31 0.00 0.00 61.69 61.75 1h5p s THR 615 Cb -0.00 -3.51 -0.05 0.00 0.01 0.00 0.00 72.50 68.95 1h5p s THR 615 CO -0.03 0.08 0.33 -0.22 -0.69 0.00 0.00 174.62 174.08 1h5p s LEU 616 N 1.68 4.28 -0.30 4.42 0.20 0.22 -1.00 118.68 128.18 1h5p s LEU 616 Ca 0.06 0.60 -0.17 0.00 0.69 0.00 0.00 54.13 55.31 1h5p s LEU 616 Cb -0.17 -2.44 -0.02 0.00 -0.43 0.00 0.00 46.19 43.13 1h5p s LEU 616 CO 0.09 0.12 0.48 -0.31 -0.29 0.00 0.00 176.35 176.43 1h5p s TYR 617 N 0.28 3.23 0.37 5.38 1.51 0.12 -0.53 117.35 127.71 1h5p s TYR 617 Ca 0.19 0.40 0.10 0.00 -1.01 0.00 0.00 57.07 56.75 1h5p s TYR 617 Cb -0.14 -2.76 0.73 0.00 -0.11 0.00 0.00 41.96 39.68 1h5p s TYR 617 CO 0.06 -0.37 1.86 0.87 -1.11 0.00 0.00 175.55 176.86 1h5p h LYS 618 N 8.23 0.15 0.00 -0.62 1.79 -1.78 0.10 116.57 124.45 1h5p h LYS 618 Ca -0.29 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.13 1h5p h LYS 618 Cb 1.14 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.77 1h5p h LYS 618 CO 0.72 0.40 0.15 0.93 -1.08 0.00 0.00 179.45 180.57 1h5p h GLU 619 N 0.14 0.00 0.00 3.15 5.08 -1.89 -2.73 114.58 118.33 1h5p h GLU 619 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1h5p h GLU 619 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1h5p h GLU 619 CO 0.04 0.00 -0.95 0.54 -1.00 0.00 0.00 179.01 177.63 1h5p n ARG 620 N -2.91 2.56 0.31 2.33 1.74 -0.99 -4.67 116.66 115.03 1h5p n ARG 620 Ca -0.02 0.00 0.20 0.00 -0.77 0.00 0.00 57.85 57.25 1h5p n ARG 620 Cb 0.20 -0.98 0.96 0.00 -1.02 0.00 0.00 32.46 31.63 1h5p n ARG 620 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 1h5p h PHE 621 N 0.00 0.00 0.00 -1.55 3.57 -0.69 -2.78 116.94 115.49 1h5p h PHE 621 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1h5p h PHE 621 Cb 0.61 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.35 1h5p h PHE 621 CO 0.00 0.01 0.19 0.87 -2.23 0.00 0.00 178.31 177.15 1h5p h LYS 622 N 0.00 0.00 0.00 1.11 1.79 -1.77 0.34 116.57 118.03 1h5p h LYS 622 Ca -0.00 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 1h5p h LYS 622 Cb 0.24 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.89 1h5p h LYS 622 CO 0.00 0.00 -1.94 1.04 -1.08 0.00 0.00 179.45 177.47 1h5p n GLN 623 N -2.29 0.62 -1.95 3.15 6.02 -1.05 -4.94 117.38 116.95 1h5p n GLN 623 Ca -0.01 -0.18 0.00 0.00 -0.01 0.00 0.00 57.00 56.80 1h5p n GLN 623 Cb 0.22 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 30.00 1h5p n GLN 623 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1h5p n GLY 624 N 1.38 -4.81 2.87 1.08 0.00 0.12 -4.38 105.19 101.45 1h5p n GLY 624 Ca -0.05 -0.34 -0.09 0.00 0.00 0.00 0.00 46.02 45.54 1h5p n GLY 624 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1h5p n THR 625 N 0.80 -0.08 -0.36 2.61 5.66 -1.26 -4.65 114.28 116.99 1h5p n THR 625 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1h5p n THR 625 Cb 0.00 -0.28 0.00 0.00 -1.55 0.00 0.00 70.33 68.50 1h5p n THR 625 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1h5p n SER 626 N -1.71 0.36 -3.66 1.09 7.64 -1.26 -4.89 113.62 111.17 1h5p n SER 626 Ca 0.01 -0.79 -0.13 0.00 1.01 0.00 0.00 58.87 58.97 1h5p n SER 626 Cb 0.50 0.14 -0.06 0.00 -1.01 0.00 0.00 64.21 63.78 1h5p n SER 626 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1h5p s LYS 627 N -0.14 0.91 -0.65 1.43 -0.14 -1.26 -5.07 119.74 114.81 1h5p s LYS 627 Ca 0.00 -0.32 -0.23 0.00 -1.36 0.00 0.00 55.97 54.06 1h5p s LYS 627 Cb 0.00 0.41 0.07 0.00 -1.68 0.00 0.00 37.83 36.63 1h5p s LYS 627 CO 0.00 -0.31 0.97 0.15 -0.76 0.00 0.00 175.35 175.40 1h5p s LYS 628 N -2.33 3.12 0.00 1.68 -0.14 -1.26 -4.46 119.74 116.35 1h5p s LYS 628 Ca -0.06 -0.79 0.00 0.00 -1.36 0.00 0.00 55.97 53.76 1h5p s LYS 628 Cb -0.01 -4.22 0.00 0.00 -1.68 0.00 0.00 37.83 31.92 1h5p s LYS 628 CO -0.01 -1.80 0.57 0.00 -0.76 0.00 0.00 175.35 173.34 1h5p s ILE 630 N -0.14 5.06 -0.30 0.00 1.01 -1.12 0.13 121.20 125.83 1h5p s ILE 630 Ca 0.00 -0.19 -0.12 0.00 0.00 0.00 0.00 60.65 60.35 1h5p s ILE 630 Cb 0.00 -3.54 -0.04 0.00 0.01 0.00 0.00 42.46 38.89 1h5p s ILE 630 CO 0.00 0.08 0.21 -1.58 0.00 0.00 0.00 174.94 173.65 1h5p s GLN 631 N 1.70 3.75 0.80 2.79 0.74 -0.17 -0.69 119.66 128.59 1h5p s GLN 631 Ca 0.06 -0.46 -0.11 0.00 0.05 0.00 0.00 55.36 54.90 1h5p s GLN 631 Cb -0.17 -3.72 0.09 0.00 1.10 0.00 0.00 33.01 30.31 1h5p s GLN 631 CO 0.09 -0.29 1.16 -1.54 -0.55 0.00 0.00 175.29 174.16 1h5p s SER 632 N 1.74 4.43 0.66 6.67 1.04 0.18 -2.43 113.70 126.00 1h5p s SER 632 Ca 0.07 0.67 0.39 0.00 0.48 0.00 0.00 55.95 57.56 1h5p s SER 632 Cb -0.17 -1.15 2.11 0.00 0.10 0.00 0.00 66.02 66.91 1h5p s SER 632 CO 0.11 -1.93 2.21 -0.33 0.98 0.00 0.00 173.24 174.28 1h5p h GLU 633 N -1.03 0.00 -0.72 4.02 3.07 -1.90 0.96 114.58 118.97 1h5p h GLU 633 Ca -0.46 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.40 1h5p h GLU 633 Cb 1.32 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.23 1h5p h GLU 633 CO 0.63 0.00 0.00 -3.47 -1.40 0.00 0.00 179.01 174.77 1h5p n ASP 634 N -3.10 2.45 -3.62 1.42 -0.08 -1.26 -4.88 116.55 107.47 1h5p n ASP 634 Ca -0.02 -2.27 -0.22 0.00 -1.51 0.00 0.00 54.79 50.77 1h5p n ASP 634 Cb 0.19 -0.48 0.04 0.00 2.34 0.00 0.00 41.12 43.21 1h5p n ASP 634 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1h5p n LYS 635 N 0.24 -4.08 -4.07 -0.67 0.00 0.33 -5.00 118.16 104.91 1h5p n LYS 635 Ca 0.10 0.64 -0.18 0.00 0.00 0.00 0.00 58.31 58.86 1h5p n LYS 635 Cb 0.52 -5.13 -0.16 0.00 0.00 0.00 0.00 35.03 30.25 1h5p n LYS 635 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1h5p s LYS 636 N -5.74 0.58 -0.11 1.64 -0.14 -1.24 -4.92 119.74 109.82 1h5p s LYS 636 Ca 0.13 -0.04 -0.15 0.00 -1.36 0.00 0.00 55.97 54.56 1h5p s LYS 636 Cb -0.03 -0.66 -0.05 0.00 -1.68 0.00 0.00 37.83 35.41 1h5p s LYS 636 CO 0.81 -0.09 0.37 -1.58 -0.76 0.00 0.00 175.35 174.10 1h5p s TRP 637 N 0.86 3.55 0.36 3.18 0.52 -1.25 -0.65 118.94 125.52 1h5p s TRP 637 Ca -0.10 0.78 0.04 0.00 0.02 0.00 0.00 56.10 56.83 1h5p s TRP 637 Cb -0.13 -2.37 -0.03 0.00 -1.15 0.00 0.00 33.47 29.78 1h5p s TRP 637 CO -0.01 0.34 0.14 -0.06 0.02 0.00 0.00 176.95 177.38 1h5p s PHE 638 N 0.08 1.75 0.23 -1.98 0.08 0.14 -4.91 117.98 113.36 1h5p s PHE 638 Ca 0.21 -1.30 0.01 0.00 0.12 0.00 0.00 56.93 55.97 1h5p s PHE 638 Cb -0.14 -1.05 -0.04 0.00 -0.57 0.00 0.00 43.02 41.22 1h5p s PHE 638 CO 0.08 -0.37 0.40 0.95 -0.10 0.00 0.00 175.22 176.18 1h5p s THR 639 N -3.35 5.22 0.20 0.64 -4.23 -1.26 -2.45 115.64 110.40 1h5p s THR 639 Ca 0.30 -0.55 0.11 0.00 -1.18 0.00 0.00 61.69 60.36 1h5p s THR 639 Cb 0.04 -3.78 0.11 0.00 1.34 0.00 0.00 72.50 70.21 1h5p s THR 639 CO 0.16 -0.26 1.21 -0.65 -0.54 0.00 0.00 174.62 174.55 1h5p h PRO 640 N 1.65 0.00 0.00 3.99 0.11 -1.91 0.19 132.00 136.03 1h5p h PRO 640 Ca -0.49 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.40 1h5p h PRO 640 Cb 1.20 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 1h5p h PRO 640 CO 0.66 0.00 -1.23 -2.13 -0.21 0.00 0.00 178.00 175.09 1h5p n ARG 641 N -2.09 0.56 0.24 1.05 0.63 -1.26 -3.30 116.66 112.48 1h5p n ARG 641 Ca -0.01 0.57 0.10 0.00 -0.92 0.00 0.00 57.85 57.60 1h5p n ARG 641 Cb 0.47 -1.74 0.57 0.00 0.45 0.00 0.00 32.46 32.21 1h5p n ARG 641 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1h5p h GLU 642 N -1.00 0.00 -0.06 -0.14 5.08 -1.33 -2.44 114.58 114.69 1h5p h GLU 642 Ca -0.33 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 57.79 1h5p h GLU 642 Cb 1.25 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.51 1h5p h GLU 642 CO -0.20 0.20 -0.91 0.35 -1.00 0.00 0.00 179.01 177.45 1h5p h PHE 643 N 0.00 0.95 -0.24 4.33 3.57 -0.91 -2.99 116.94 121.65 1h5p h PHE 643 Ca -0.00 -0.47 -0.05 0.00 3.53 0.00 0.00 57.97 60.98 1h5p h PHE 643 Cb 0.55 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 1h5p h PHE 643 CO 0.00 1.30 -0.07 1.49 -2.23 0.00 0.00 178.31 178.80 1h5p h GLU 644 N 0.41 0.37 -0.70 1.11 4.22 -1.46 0.64 114.58 119.16 1h5p h GLU 644 Ca -0.09 -0.08 -0.07 0.00 0.08 0.00 0.00 59.36 59.20 1h5p h GLU 644 Cb 1.55 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.72 1h5p h GLU 644 CO 0.18 0.46 0.18 0.82 -2.18 0.00 0.00 179.01 178.47 1h5p h ILE 645 N 0.36 1.26 0.00 2.32 2.04 -1.36 -0.48 117.51 121.65 1h5p h ILE 645 Ca 0.07 -0.95 -0.21 0.00 1.00 0.00 0.00 64.86 64.78 1h5p h ILE 645 Cb 0.36 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 1h5p h ILE 645 CO 0.02 0.37 -1.08 -0.33 0.00 0.00 0.00 178.15 177.12 1h5p h GLU 646 N 1.06 0.00 0.21 2.37 3.07 -1.30 -2.67 114.58 117.31 1h5p h GLU 646 Ca 0.22 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.07 1h5p h GLU 646 Cb 0.36 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.27 1h5p h GLU 646 CO 0.00 0.77 -0.10 0.78 -1.40 0.00 0.00 179.01 179.06 1h5p h GLY 647 N 3.23 -0.30 0.00 -3.84 0.00 -0.71 -3.43 103.07 98.02 1h5p h GLY 647 Ca -0.07 0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1h5p h GLY 647 CO 0.10 -0.11 -0.39 1.22 0.00 0.00 0.00 176.54 177.37 1h5p n ASP 648 N -4.96 0.80 0.00 0.19 8.00 -0.20 -4.35 116.55 116.02 1h5p n ASP 648 Ca -0.07 0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.61 1h5p n ASP 648 Cb 0.24 -0.61 0.00 0.00 -0.02 0.00 0.00 41.12 40.73 1h5p n ASP 648 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1h5p n ARG 649 N -3.31 0.00 0.00 -1.24 3.00 -1.01 -5.01 116.66 109.09 1h5p n ARG 649 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.80 1h5p n ARG 649 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.66 1h5p n ARG 649 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1h5p n GLY 650 N -0.47 1.12 0.11 5.14 0.00 -1.24 -4.65 105.19 105.21 1h5p n GLY 650 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1h5p n GLY 650 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h5p n ALA 651 N 0.00 1.95 -0.20 4.61 0.00 -1.26 -3.19 120.51 122.43 1h5p n ALA 651 Ca 0.00 0.03 0.02 0.00 0.00 0.00 0.00 53.44 53.49 1h5p n ALA 651 Cb 0.00 -1.42 0.28 0.00 0.00 0.00 0.00 19.45 18.31 1h5p n ALA 651 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1h5p h SER 652 N 0.00 0.79 0.00 0.00 0.02 -1.93 -3.45 113.55 108.98 1h5p h SER 652 Ca 0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1h5p h SER 652 Cb 0.53 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.88 1h5p h SER 652 CO 0.00 0.56 0.00 1.17 -1.14 0.00 0.00 176.83 177.42 1h5p n LYS 653 N -4.44 0.00 -1.54 3.45 0.00 -1.19 -4.81 118.16 109.62 1h5p n LYS 653 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 58.31 58.12 1h5p n LYS 653 Cb 0.08 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 35.04 1h5p n LYS 653 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1h5p n ASN 654 N 2.20 1.65 0.21 3.14 3.02 -1.26 -4.74 115.26 119.48 1h5p n ASN 654 Ca 0.00 -0.78 0.11 0.00 -0.03 0.00 0.00 54.58 53.88 1h5p n ASN 654 Cb 0.00 -1.46 0.29 0.00 -0.61 0.00 0.00 39.78 37.99 1h5p n ASN 654 CO 0.00 0.00 0.00 4.11 -2.62 0.00 0.00 177.26 178.75 1h5p h TRP 655 N 15.86 0.00 0.00 3.10 5.08 -1.87 -1.23 115.95 136.89 1h5p h TRP 655 Ca -0.12 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.85 1h5p h TRP 655 Cb 1.17 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.33 1h5p h TRP 655 CO 1.07 0.15 0.00 0.87 -1.28 0.00 0.00 178.44 179.25 1h5p h LYS 656 N 0.00 0.00 0.00 0.12 1.57 -1.87 -2.75 116.57 113.64 1h5p h LYS 656 Ca -0.00 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 1h5p h LYS 656 Cb 0.94 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.23 1h5p h LYS 656 CO 0.02 0.00 -1.67 1.28 -0.57 0.00 0.00 179.45 178.51 1h5p n LEU 657 N -2.66 0.00 0.08 2.94 4.77 -1.15 -0.18 117.00 120.81 1h5p n LEU 657 Ca 0.04 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.99 1h5p n LEU 657 Cb 0.43 0.16 -0.07 0.00 -2.33 0.00 0.00 43.42 41.61 1h5p n LEU 657 CO 0.30 0.16 0.17 0.77 -1.33 0.00 0.00 177.39 177.46 1h5p h SER 658 N 0.00 0.00 -3.27 -1.43 4.64 -1.29 -3.46 113.55 108.74 1h5p h SER 658 Ca -0.17 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.49 1h5p h SER 658 Cb 1.21 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.18 1h5p h SER 658 CO 0.01 0.80 -0.62 -0.63 -0.87 0.00 0.00 176.83 175.52 1h5p s ILE 659 N -2.80 4.34 0.35 0.95 1.01 -1.04 -3.94 121.20 120.07 1h5p s ILE 659 Ca 0.01 -0.60 0.09 0.00 0.00 0.00 0.00 60.65 60.15 1h5p s ILE 659 Cb 0.09 -2.98 -0.06 0.00 0.01 0.00 0.00 42.46 39.52 1h5p s ILE 659 CO 0.79 0.32 0.01 -0.13 0.00 0.00 0.00 174.94 175.93 1h5p s ARG 660 N -1.77 2.05 -0.30 2.79 0.52 -0.04 -3.13 118.95 119.07 1h5p s ARG 660 Ca 0.22 -1.80 -0.03 0.00 -0.52 0.00 0.00 55.73 53.61 1h5p s ARG 660 Cb -0.12 -1.89 0.11 0.00 0.52 0.00 0.00 34.95 33.57 1h5p s ARG 660 CO 0.13 0.11 0.17 0.00 0.02 0.00 0.00 175.30 175.73 1h5p n GLY 662 N 5.06 1.42 0.19 0.00 0.00 -0.13 -3.43 105.19 108.29 1h5p n GLY 662 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1h5p n GLY 662 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h5p n GLY 663 N 0.00 -0.05 3.83 -0.02 0.00 -1.26 -5.08 105.19 102.60 1h5p n GLY 663 Ca 0.00 -0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 1h5p n GLY 663 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1h5p s TYR 664 N -1.64 3.42 1.13 1.61 2.02 -1.22 -4.99 117.35 117.68 1h5p s TYR 664 Ca 0.00 0.33 -0.14 0.00 -0.37 0.00 0.00 57.07 56.89 1h5p s TYR 664 Cb 0.00 -1.83 0.26 0.00 -0.40 0.00 0.00 41.96 39.99 1h5p s TYR 664 CO 0.00 0.62 1.06 0.95 -1.57 0.00 0.00 175.55 176.60 1h5p s THR 665 N -1.14 1.90 0.44 -0.71 -4.23 -1.26 -1.05 115.64 109.60 1h5p s THR 665 Ca 0.20 0.00 0.20 0.00 -1.18 0.00 0.00 61.69 60.91 1h5p s THR 665 Cb -0.12 -2.30 0.23 0.00 1.34 0.00 0.00 72.50 71.65 1h5p s THR 665 CO 0.11 0.00 2.03 -0.07 -0.54 0.00 0.00 174.62 176.15 1h5p h LEU 666 N -2.40 0.00 -0.52 4.79 -0.00 -1.32 0.17 115.31 116.04 1h5p h LEU 666 Ca -0.56 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 57.33 1h5p h LEU 666 Cb 1.33 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.97 1h5p h LEU 666 CO 0.51 0.15 0.34 0.50 -0.00 0.00 0.00 178.44 179.94 1h5p h LYS 667 N 0.00 0.66 0.12 1.13 3.11 -0.87 0.38 116.57 121.10 1h5p h LYS 667 Ca -0.00 -0.04 -0.28 0.00 -2.81 0.00 0.00 60.65 57.52 1h5p h LYS 667 Cb 0.31 -0.15 -0.00 0.00 -1.00 0.00 0.00 32.23 31.39 1h5p h LYS 667 CO 0.02 0.44 -1.32 0.28 -2.81 0.00 0.00 179.45 176.06 1h5p h VAL 668 N 0.68 1.40 -0.05 2.00 2.07 -1.67 -2.87 116.25 117.82 1h5p h VAL 668 Ca 0.19 -3.00 -0.06 0.00 0.82 0.00 0.00 66.70 64.65 1h5p h VAL 668 Cb -0.06 2.89 -0.01 0.00 -1.52 0.00 0.00 31.29 32.58 1h5p h VAL 668 CO -0.05 0.87 -0.27 -0.07 0.02 0.00 0.00 177.57 178.07 1h5p h LEU 669 N 0.07 0.08 0.00 2.57 4.07 -0.41 0.26 115.31 121.95 1h5p h LEU 669 Ca -0.16 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.78 1h5p h LEU 669 Cb 1.98 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 43.70 1h5p h LEU 669 CO 0.19 0.36 -0.32 1.15 -1.08 0.00 0.00 178.44 178.73 1h5p n MET 670 N -4.19 0.10 0.01 1.13 0.00 0.13 -2.60 117.12 111.69 1h5p n MET 670 Ca -0.02 0.04 0.01 0.00 0.00 0.00 0.00 57.70 57.74 1h5p n MET 670 Cb 0.34 -1.58 -0.11 0.00 0.00 0.00 0.00 33.22 31.88 1h5p n MET 670 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 1h5p n GLU 671 N -1.73 0.64 0.00 3.17 2.13 -0.29 -4.62 120.64 119.94 1h5p n GLU 671 Ca 0.05 0.09 0.00 0.00 0.66 0.00 0.00 57.16 57.97 1h5p n GLU 671 Cb 0.37 -1.70 0.00 0.00 0.27 0.00 0.00 31.44 30.38 1h5p n GLU 671 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1h5p n ASN 672 N -2.72 0.00 0.00 4.31 3.02 0.76 -4.97 115.26 115.65 1h5p n ASN 672 Ca -0.12 0.29 0.00 0.00 -0.03 0.00 0.00 54.58 54.72 1h5p n ASN 672 Cb 0.82 -0.28 0.00 0.00 -0.61 0.00 0.00 39.78 39.70 1h5p n ASN 672 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1h5p n LYS 673 N -1.35 0.00 -0.29 3.52 2.85 -1.20 -5.00 118.16 116.68 1h5p n LYS 673 Ca 0.00 0.00 0.09 0.00 -1.05 0.00 0.00 58.31 57.35 1h5p n LYS 673 Cb 0.00 0.00 0.22 0.00 -0.65 0.00 0.00 35.03 34.60 1h5p n LYS 673 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 177.40 178.09 1h5p h PHE 674 N 0.00 0.02 -3.56 5.58 0.04 -1.90 -3.38 116.94 113.75 1h5p h PHE 674 Ca 0.00 0.06 -0.67 0.00 2.80 0.00 0.00 57.97 60.16 1h5p h PHE 674 Cb 0.00 0.13 -0.21 0.00 2.20 0.00 0.00 35.95 38.07 1h5p h PHE 674 CO 0.00 -0.29 -0.70 -1.17 -0.60 0.00 0.00 178.31 175.55 1h5p s LEU 675 N -10.83 3.12 0.00 1.54 2.96 -1.07 -4.92 118.68 109.48 1h5p s LEU 675 Ca -0.13 -0.08 0.00 0.00 -0.22 0.00 0.00 54.13 53.70 1h5p s LEU 675 Cb 0.25 -1.70 0.00 0.00 0.50 0.00 0.00 46.19 45.24 1h5p s LEU 675 CO 0.77 0.30 0.33 -0.81 -1.32 0.00 0.00 176.35 175.61 1h5p n PRO 676 N 2.66 0.00 -3.22 0.98 -0.04 -1.26 -4.61 135.00 129.52 1h5p n PRO 676 Ca -0.18 0.18 -0.06 0.00 -0.04 0.00 0.00 63.50 63.40 1h5p n PRO 676 Cb 0.53 -0.83 0.01 0.00 -0.04 0.00 0.00 33.50 33.16 1h5p n PRO 676 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1h5p n GLU 677 N -0.51 -0.68 -0.28 0.54 -0.58 -1.26 -4.81 120.64 113.06 1h5p n GLU 677 Ca 0.00 0.97 0.05 0.00 -0.42 0.00 0.00 57.16 57.76 1h5p n GLU 677 Cb 0.00 -1.37 0.14 0.00 -0.57 0.00 0.00 31.44 29.64 1h5p n GLU 677 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 1h5p h PRO 678 N 3.32 0.03 -6.48 3.49 0.11 -1.93 -3.37 132.00 127.18 1h5p h PRO 678 Ca -0.09 -0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.45 1h5p h PRO 678 Cb 1.02 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.07 1h5p h PRO 678 CO 0.04 0.02 1.01 -1.25 -0.21 0.00 0.00 178.00 177.61 1h5p s PRO 679 N -6.17 3.74 -0.47 1.05 0.04 -1.26 -4.90 135.00 127.02 1h5p s PRO 679 Ca -0.14 1.02 0.04 0.00 0.04 0.00 0.00 61.00 61.96 1h5p s PRO 679 Cb 0.24 -3.94 0.19 0.00 0.04 0.00 0.00 34.50 31.03 1h5p s PRO 679 CO 0.76 -1.34 0.80 -1.54 0.04 0.00 0.00 177.00 175.72 1h5p s SER 680 N 3.23 -1.20 0.42 6.66 1.04 -1.26 -4.93 113.70 117.65 1h5p s SER 680 Ca 0.57 -1.37 0.00 0.00 0.48 0.00 0.00 55.95 55.63 1h5p s SER 680 Cb -0.14 1.57 0.00 0.00 0.10 0.00 0.00 66.02 67.55 1h5p s SER 680 CO 0.28 -0.05 0.00 0.41 0.98 0.00 0.00 173.24 174.86 1h5p n THR 681 N 2.98 0.00 -4.22 2.02 -1.04 -1.26 -4.95 114.28 107.82 1h5p n THR 681 Ca 0.16 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.17 1h5p n THR 681 Cb 0.58 -0.15 0.00 0.00 -1.82 0.00 0.00 70.33 68.94 1h5p n THR 681 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1h5p n ARG 682 N -3.45 0.00 0.15 -2.82 5.12 -1.26 -4.92 116.66 109.48 1h5p n ARG 682 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1h5p n ARG 682 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 1h5p n ARG 682 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 1h5p n LYS 683 N -0.30 0.00 -3.74 5.56 3.00 -1.26 -5.10 118.16 116.32 1h5p n LYS 683 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 58.31 58.09 1h5p n LYS 683 Cb 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 35.03 34.85 1h5p n LYS 683 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1h5p s LYS 684 N -1.91 0.42 0.06 1.64 -0.14 -1.26 -5.14 119.74 113.41 1h5p s LYS 684 Ca 0.00 0.17 -0.04 0.00 -1.36 0.00 0.00 55.97 54.73 1h5p s LYS 684 Cb 0.00 -0.88 -0.02 0.00 -1.68 0.00 0.00 37.83 35.24 1h5p s LYS 684 CO 0.00 -0.32 0.07 0.14 -0.76 0.00 0.00 175.35 174.47 1h5p s VAL 685 N 2.02 0.17 0.79 3.17 -7.23 -1.26 -5.15 120.40 112.91 1h5p s VAL 685 Ca 0.05 -1.43 -0.12 0.00 -1.81 0.00 0.00 61.98 58.66 1h5p s VAL 685 Cb -0.12 -1.29 0.07 0.00 0.56 0.00 0.00 36.38 35.60 1h5p s VAL 685 CO -0.05 -0.79 1.14 0.28 -0.31 0.00 0.00 175.10 175.37 1h5p s THR 686 N -3.54 2.64 -0.37 5.32 -1.32 -1.26 -4.99 115.64 112.11 1h5p s THR 686 Ca 0.03 0.25 -0.15 0.00 -1.21 0.00 0.00 61.69 60.61 1h5p s THR 686 Cb 0.05 -2.62 0.00 0.00 -1.51 0.00 0.00 72.50 68.42 1h5p s THR 686 CO -0.09 -0.23 0.33 -0.63 -2.21 0.00 0.00 174.62 171.79 1h5p s ILE 687 N -2.49 5.20 -2.00 5.08 1.09 -1.26 -5.22 121.20 121.60 1h5p s ILE 687 Ca 0.67 -0.27 0.14 0.00 -1.10 0.00 0.00 60.65 60.09 1h5p s ILE 687 Cb -0.23 -3.87 0.40 0.00 -1.06 0.00 0.00 42.46 37.70 1h5p s ILE 687 CO 0.52 -0.20 1.26 1.17 -0.10 0.00 0.00 174.94 177.59