#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hcp s LYS 566 N 0.00 4.00 0.42 -0.14 -2.85 -1.26 -4.88 119.74 115.03 3hcp s LYS 566 Ca 0.00 1.80 -0.26 0.00 -1.00 0.00 0.00 55.97 56.51 3hcp s LYS 566 Cb 0.00 -2.61 -0.09 0.00 -2.06 0.00 0.00 37.83 33.07 3hcp s LYS 566 CO 0.00 -0.35 1.41 -1.25 0.10 0.00 0.00 175.35 175.26 3hcp s PRO 567 N -2.40 3.88 -0.25 1.78 0.04 -1.26 -4.54 135.00 132.25 3hcp s PRO 567 Ca 0.58 2.39 -0.01 0.00 0.04 0.00 0.00 61.00 64.01 3hcp s PRO 567 Cb -0.30 -2.77 -0.15 0.00 0.04 0.00 0.00 34.50 31.32 3hcp s PRO 567 CO 0.37 -0.65 -0.24 1.17 0.04 0.00 0.00 177.00 177.69 3hcp n LYS 568 N 0.08 0.59 -4.20 4.56 4.81 0.73 -4.52 118.16 120.22 3hcp n LYS 568 Ca 0.04 0.16 -0.33 0.00 -0.87 0.00 0.00 58.31 57.30 3hcp n LYS 568 Cb 0.42 -1.47 -0.16 0.00 0.02 0.00 0.00 35.03 33.83 3hcp n LYS 568 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 3hcp s THR 569 N -2.48 2.24 -0.13 3.15 2.01 -1.01 -1.58 115.64 117.85 3hcp s THR 569 Ca -0.33 -0.89 -0.07 0.00 0.31 0.00 0.00 61.69 60.71 3hcp s THR 569 Cb 0.09 -1.94 -0.04 0.00 0.01 0.00 0.00 72.50 70.62 3hcp s THR 569 CO 0.54 0.53 0.13 -0.83 -0.69 0.00 0.00 174.62 174.29 3hcp s GLY 570 N 1.21 2.12 -0.28 4.40 0.00 0.22 -1.06 107.32 113.94 3hcp s GLY 570 Ca 0.03 -0.66 0.02 0.00 0.00 0.00 0.00 44.72 44.11 3hcp s GLY 570 CO -0.10 -0.34 -0.07 -0.42 0.00 0.00 0.00 173.10 172.18 3hcp s ILE 571 N -0.86 2.37 -0.44 0.90 1.09 0.42 -0.90 121.20 123.77 3hcp s ILE 571 Ca 0.14 -1.66 -0.23 0.00 -1.10 0.00 0.00 60.65 57.79 3hcp s ILE 571 Cb -0.12 -2.43 0.02 0.00 -1.06 0.00 0.00 42.46 38.88 3hcp s ILE 571 CO 0.03 -0.11 0.80 -0.22 -0.10 0.00 0.00 174.94 175.34 3hcp s LEU 572 N 1.11 4.20 -0.36 2.97 2.96 0.39 -0.54 118.68 129.41 3hcp s LEU 572 Ca -0.06 -0.02 -0.21 0.00 -0.22 0.00 0.00 54.13 53.62 3hcp s LEU 572 Cb -0.20 -3.00 0.01 0.00 0.50 0.00 0.00 46.19 43.49 3hcp s LEU 572 CO -0.04 -0.91 0.68 -0.04 -1.32 0.00 0.00 176.35 174.71 3hcp s MET 573 N 3.33 3.69 -0.16 1.98 -1.94 0.58 -0.39 119.30 126.38 3hcp s MET 573 Ca 0.31 0.11 -0.07 0.00 -1.71 0.00 0.00 55.69 54.33 3hcp s MET 573 Cb -0.12 -3.81 -0.04 0.00 2.01 0.00 0.00 34.83 32.87 3hcp s MET 573 CO 0.22 -0.77 0.07 -0.51 -0.01 0.00 0.00 175.02 174.02 3hcp s LEU 574 N 2.82 3.87 0.21 -0.03 1.43 -0.87 -0.85 118.68 125.26 3hcp s LEU 574 Ca 0.26 0.14 -0.19 0.00 -1.03 0.00 0.00 54.13 53.31 3hcp s LEU 574 Cb -0.14 -1.97 0.03 0.00 0.03 0.00 0.00 46.19 44.15 3hcp s LEU 574 CO 0.15 0.23 0.59 0.21 0.23 0.00 0.00 176.35 177.76 3hcp s ASN 575 N 0.06 -0.32 0.34 2.29 3.84 -1.10 -0.95 114.94 119.08 3hcp s ASN 575 Ca 0.06 -0.42 0.13 0.00 0.21 0.00 0.00 52.86 52.84 3hcp s ASN 575 Cb -0.12 0.62 0.59 0.00 -0.55 0.00 0.00 41.25 41.79 3hcp s ASN 575 CO 0.01 -1.11 1.73 0.00 -2.79 0.00 0.00 177.10 174.94 3hcp h MET 576 N 2.11 0.00 0.00 0.43 -0.00 -1.94 -0.34 114.93 115.19 3hcp h MET 576 Ca -0.27 0.00 0.07 0.00 -0.00 0.00 0.00 59.70 59.49 3hcp h MET 576 Cb 1.27 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.85 3hcp h MET 576 CO 0.34 0.46 -0.09 0.41 -0.00 0.00 0.00 176.91 178.04 3hcp n GLY 577 N -0.09 -2.19 3.39 -3.00 0.00 -1.26 -1.88 105.19 100.17 3hcp n GLY 577 Ca -0.01 -1.47 -0.13 0.00 0.00 0.00 0.00 46.02 44.41 3hcp n GLY 577 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hcp s GLY 578 N -2.84 -0.44 0.09 -0.02 0.00 -1.26 -4.92 107.32 97.91 3hcp s GLY 578 Ca 0.00 0.49 -0.31 0.00 0.00 0.00 0.00 44.72 44.90 3hcp s GLY 578 CO 0.00 0.19 1.70 2.56 0.00 0.00 0.00 173.10 177.55 3hcp s PRO 579 N -2.88 4.18 0.37 2.90 0.04 -1.26 -4.72 135.00 133.63 3hcp s PRO 579 Ca -0.03 2.41 0.15 0.00 0.04 0.00 0.00 61.00 63.57 3hcp s PRO 579 Cb -0.00 -3.59 0.72 0.00 0.04 0.00 0.00 34.50 31.67 3hcp s PRO 579 CO -0.05 -0.76 1.80 0.93 0.04 0.00 0.00 177.00 178.95 3hcp h GLU 580 N 8.38 0.00 -4.63 4.56 5.08 -1.91 -0.79 114.58 125.28 3hcp h GLU 580 Ca -0.44 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 57.68 3hcp h GLU 580 Cb 1.21 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.31 3hcp h GLU 580 CO 0.93 0.39 -0.64 0.95 -1.00 0.00 0.00 179.01 179.65 3hcp s THR 581 N -3.97 0.27 0.55 1.13 -4.23 -1.26 -4.09 115.64 104.05 3hcp s THR 581 Ca -0.02 -1.96 0.23 0.00 -1.18 0.00 0.00 61.69 58.76 3hcp s THR 581 Cb 0.13 -2.28 0.32 0.00 1.34 0.00 0.00 72.50 72.01 3hcp s THR 581 CO 0.71 -0.27 2.17 -0.07 -0.54 0.00 0.00 174.62 176.62 3hcp h LEU 582 N 2.68 0.00 -0.76 4.79 3.38 -1.85 -1.29 115.31 122.26 3hcp h LEU 582 Ca -0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.61 3hcp h LEU 582 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 3hcp h LEU 582 CO 0.59 0.00 0.00 1.23 0.09 0.00 0.00 178.44 180.35 3hcp h GLY 583 N 0.00 0.00 1.72 0.83 0.00 -1.96 -2.91 103.07 100.76 3hcp h GLY 583 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 3hcp h GLY 583 CO -0.00 0.00 -0.14 1.22 0.00 0.00 0.00 176.54 177.62 3hcp n ASP 584 N -2.80 0.18 0.06 0.19 8.00 -0.48 -4.35 116.55 117.35 3hcp n ASP 584 Ca 0.02 0.30 -0.12 0.00 0.71 0.00 0.00 54.79 55.70 3hcp n ASP 584 Cb 0.36 -0.30 -0.07 0.00 -0.02 0.00 0.00 41.12 41.08 3hcp n ASP 584 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3hcp h VAL 585 N 0.00 0.99 -0.23 2.53 2.07 -1.61 -2.53 116.25 117.47 3hcp h VAL 585 Ca 0.00 -0.11 0.06 0.00 0.82 0.00 0.00 66.70 67.46 3hcp h VAL 585 Cb 0.52 1.07 -0.06 0.00 -1.52 0.00 0.00 31.29 31.29 3hcp h VAL 585 CO 0.00 0.03 -0.14 -0.74 0.02 0.00 0.00 177.57 176.74 3hcp h HIS 586 N -0.11 -0.33 -0.11 1.57 -0.00 -1.81 -1.69 115.15 112.67 3hcp h HIS 586 Ca -0.01 0.03 -0.12 0.00 -0.00 0.00 0.00 60.37 60.28 3hcp h HIS 586 Cb 0.09 0.18 -0.01 0.00 -0.00 0.00 0.00 27.41 27.67 3hcp h HIS 586 CO -0.06 -0.20 -0.45 -0.44 -0.00 0.00 0.00 177.93 176.78 3hcp h ASP 587 N -0.12 0.27 0.19 3.26 5.19 -1.84 -0.27 116.42 123.11 3hcp h ASP 587 Ca 0.13 -0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 3hcp h ASP 587 Cb 0.31 -0.08 -0.02 0.00 0.18 0.00 0.00 39.33 39.73 3hcp h ASP 587 CO -0.31 0.69 -0.19 0.15 -3.12 0.00 0.00 179.24 176.46 3hcp h PHE 588 N 0.21 -0.50 -0.82 4.55 3.57 -1.13 -1.68 116.94 121.13 3hcp h PHE 588 Ca 0.01 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 3hcp h PHE 588 Cb 0.88 0.19 -0.04 0.00 2.79 0.00 0.00 35.95 39.78 3hcp h PHE 588 CO 0.02 -0.29 0.39 -0.07 -2.23 0.00 0.00 178.31 176.13 3hcp h LEU 589 N -0.42 1.07 0.07 0.59 3.38 -1.18 -1.74 115.31 117.07 3hcp h LEU 589 Ca 0.00 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 57.85 3hcp h LEU 589 Cb 0.39 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3hcp h LEU 589 CO -0.05 0.90 -0.14 0.25 0.09 0.00 0.00 178.44 179.49 3hcp h LEU 590 N 1.16 -0.40 -1.46 1.67 5.85 -0.90 -0.51 115.31 120.73 3hcp h LEU 590 Ca 0.28 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 59.04 3hcp h LEU 590 Cb 0.12 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 3hcp h LEU 590 CO -0.04 -0.21 0.19 0.03 -0.34 0.00 0.00 178.44 178.07 3hcp h ARG 591 N -0.27 0.55 -0.15 1.25 3.08 -1.20 -1.76 114.38 115.88 3hcp h ARG 591 Ca 0.03 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 3hcp h ARG 591 Cb 0.30 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 3hcp h ARG 591 CO -0.09 0.44 -0.08 1.25 -1.07 0.00 0.00 179.97 180.42 3hcp h LEU 592 N 0.56 0.32 -0.61 3.04 6.46 -0.81 -2.83 115.31 121.43 3hcp h LEU 592 Ca 0.14 -0.42 0.00 0.00 -0.12 0.00 0.00 57.88 57.48 3hcp h LEU 592 Cb 0.07 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 39.91 3hcp h LEU 592 CO -0.02 0.67 0.00 -0.26 -0.62 0.00 0.00 178.44 178.21 3hcp h PHE 593 N -0.02 0.00 0.00 1.25 -1.00 -0.92 -2.60 116.94 113.65 3hcp h PHE 593 Ca 0.03 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.81 3hcp h PHE 593 Cb 0.55 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.11 3hcp h PHE 593 CO 0.07 0.00 -0.07 1.28 -1.61 0.00 0.00 178.31 177.98 3hcp n LEU 594 N -2.73 0.19 -4.58 1.54 4.77 -0.68 -4.74 117.00 110.77 3hcp n LEU 594 Ca 0.03 0.45 -0.42 0.00 -0.03 0.00 0.00 56.01 56.03 3hcp n LEU 594 Cb 0.37 -0.44 -0.02 0.00 -2.33 0.00 0.00 43.42 41.00 3hcp n LEU 594 CO 0.28 -0.01 1.10 -0.62 -1.33 0.00 0.00 177.39 176.80 3hcp s ASP 595 N -3.24 6.44 0.35 -1.43 3.68 -0.98 -4.89 116.67 116.60 3hcp s ASP 595 Ca 0.13 0.20 0.27 0.00 2.13 0.00 0.00 52.55 55.28 3hcp s ASP 595 Cb 0.18 -2.55 0.99 0.00 -1.45 0.00 0.00 42.92 40.09 3hcp s ASP 595 CO 0.56 -1.47 1.79 0.03 0.13 0.00 0.00 175.17 176.21 3hcp h ARG 596 N 9.68 0.00 0.00 4.34 -0.00 -1.89 -2.01 114.38 124.50 3hcp h ARG 596 Ca -0.25 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.23 3hcp h ARG 596 Cb 1.06 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.03 3hcp h ARG 596 CO 1.17 0.00 0.00 -0.25 0.00 0.00 0.00 179.97 180.89 3hcp n ASP 597 N -2.57 0.23 -0.13 7.04 8.00 -1.26 -4.01 116.55 123.85 3hcp n ASP 597 Ca 0.02 0.53 -0.27 0.00 0.71 0.00 0.00 54.79 55.78 3hcp n ASP 597 Cb 0.32 -0.59 -0.09 0.00 -0.02 0.00 0.00 41.12 40.74 3hcp n ASP 597 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 3hcp n LEU 598 N -1.72 1.77 -3.63 0.64 7.94 -1.01 -4.57 117.00 116.41 3hcp n LEU 598 Ca 0.06 0.31 -0.13 0.00 -1.11 0.00 0.00 56.01 55.14 3hcp n LEU 598 Cb 0.34 -0.74 -0.06 0.00 0.53 0.00 0.00 43.42 43.49 3hcp n LEU 598 CO 0.26 0.52 0.19 0.00 -1.11 0.00 0.00 177.39 177.25 3hcp s MET 599 N -2.46 0.97 -0.04 1.96 0.23 -0.79 -4.99 119.30 114.17 3hcp s MET 599 Ca -0.35 -0.37 0.05 0.00 -1.03 0.00 0.00 55.69 53.98 3hcp s MET 599 Cb 0.14 0.44 -0.02 0.00 -1.53 0.00 0.00 34.83 33.85 3hcp s MET 599 CO 0.44 -0.35 -0.18 0.95 -2.03 0.00 0.00 175.02 173.86 3hcp s THR 600 N -2.64 2.74 0.11 3.16 -4.23 -1.26 -3.93 115.64 109.59 3hcp s THR 600 Ca -0.04 -0.84 0.04 0.00 -1.18 0.00 0.00 61.69 59.67 3hcp s THR 600 Cb -0.00 -2.04 -0.04 0.00 1.34 0.00 0.00 72.50 71.75 3hcp s THR 600 CO -0.03 0.59 -0.11 -0.76 -0.54 0.00 0.00 174.62 173.76 3hcp s LEU 601 N -0.64 2.44 0.70 4.79 1.43 -1.26 -5.13 118.68 121.00 3hcp s LEU 601 Ca 0.10 -0.86 -0.15 0.00 -1.03 0.00 0.00 54.13 52.18 3hcp s LEU 601 Cb -0.11 -0.36 0.02 0.00 0.03 0.00 0.00 46.19 45.77 3hcp s LEU 601 CO 0.00 -0.26 1.17 -2.16 0.23 0.00 0.00 176.35 175.34 3hcp s PRO 602 N -3.02 2.42 -0.52 1.29 0.04 -1.26 -3.75 135.00 130.20 3hcp s PRO 602 Ca 0.09 1.64 -0.03 0.00 0.04 0.00 0.00 61.00 62.74 3hcp s PRO 602 Cb -0.02 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.65 3hcp s PRO 602 CO 0.01 -1.60 0.06 0.44 0.04 0.00 0.00 177.00 175.95 3hcp n ILE 603 N -2.53 -0.49 -0.16 0.56 -5.35 -1.26 -4.63 119.36 105.50 3hcp n ILE 603 Ca 0.12 -0.18 0.07 0.00 -0.27 0.00 0.00 62.75 62.49 3hcp n ILE 603 Cb 0.51 -0.45 0.38 0.00 -1.74 0.00 0.00 39.64 38.33 3hcp n ILE 603 CO 0.00 0.00 0.00 -0.61 -1.76 0.00 0.00 176.55 174.18 3hcp h GLN 604 N 0.25 0.68 0.00 6.28 4.15 -1.98 0.37 115.11 124.86 3hcp h GLN 604 Ca -0.24 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.13 3hcp h GLN 604 Cb 0.50 -0.15 -0.00 0.00 0.21 0.00 0.00 27.48 28.03 3hcp h GLN 604 CO 0.24 0.45 -0.04 -0.91 -1.93 0.00 0.00 178.83 176.64 3hcp h ASN 605 N 0.70 0.00 0.05 -0.69 2.35 -1.92 -1.05 115.58 115.01 3hcp h ASN 605 Ca 0.30 0.00 -0.38 0.00 -0.55 0.00 0.00 56.30 55.67 3hcp h ASN 605 Cb 0.29 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.61 3hcp h ASN 605 CO -0.10 0.04 -2.25 0.29 -1.65 0.00 0.00 177.43 173.76 3hcp n LYS 606 N -3.33 0.69 0.08 0.81 4.76 0.12 -4.55 118.16 116.73 3hcp n LYS 606 Ca -0.02 0.22 -0.04 0.00 -2.87 0.00 0.00 58.31 55.60 3hcp n LYS 606 Cb 0.17 -1.60 -0.07 0.00 -1.84 0.00 0.00 35.03 31.69 3hcp n LYS 606 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 3hcp h LEU 607 N -0.08 0.00 0.27 -0.35 3.38 -1.08 -3.33 115.31 114.11 3hcp h LEU 607 Ca -0.52 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.45 3hcp h LEU 607 Cb 1.91 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.64 3hcp h LEU 607 CO -0.05 0.85 -0.22 0.00 0.09 0.00 0.00 178.44 179.12 3hcp h ALA 608 N 1.15 -0.49 0.00 1.53 0.00 -1.44 -1.30 119.26 118.71 3hcp h ALA 608 Ca -0.01 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3hcp h ALA 608 Cb 1.64 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 19.73 3hcp h ALA 608 CO 0.11 -0.80 -0.02 -1.35 0.00 0.00 0.00 179.25 177.19 3hcp h PRO 609 N -0.50 0.00 0.02 0.00 0.11 -1.80 -0.34 132.00 129.48 3hcp h PRO 609 Ca -0.01 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.92 3hcp h PRO 609 Cb 0.45 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.57 3hcp h PRO 609 CO -0.02 0.02 -0.69 0.00 -0.21 0.00 0.00 178.00 177.10 3hcp h ALA 610 N 1.98 0.06 -0.44 -0.75 0.00 -1.58 -1.66 119.26 116.86 3hcp h ALA 610 Ca -0.00 -0.60 -0.09 0.00 0.00 0.00 0.00 54.91 54.21 3hcp h ALA 610 Cb 0.07 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3hcp h ALA 610 CO 0.00 0.40 -0.10 0.82 0.00 0.00 0.00 179.25 180.38 3hcp h ILE 611 N -0.07 1.27 0.14 0.00 2.04 -0.79 -2.06 117.51 118.04 3hcp h ILE 611 Ca -0.09 -1.20 0.02 0.00 1.00 0.00 0.00 64.86 64.59 3hcp h ILE 611 Cb 1.41 1.14 -0.04 0.00 -0.74 0.00 0.00 36.82 38.59 3hcp h ILE 611 CO 0.13 0.41 -0.35 0.00 0.00 0.00 0.00 178.15 178.34 3hcp h ALA 612 N 0.87 -0.62 -0.99 1.87 0.00 -1.11 0.66 119.26 119.94 3hcp h ALA 612 Ca 0.11 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.99 3hcp h ALA 612 Cb 0.63 0.58 -0.06 0.00 0.00 0.00 0.00 17.79 18.94 3hcp h ALA 612 CO 0.04 -0.91 0.65 -0.22 0.00 0.00 0.00 179.25 178.81 3hcp h LYS 613 N -0.60 1.22 -0.41 0.00 3.64 -1.29 -1.15 116.57 117.98 3hcp h LYS 613 Ca 0.02 -0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 59.27 3hcp h LYS 613 Cb 0.62 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 3hcp h LYS 613 CO -0.19 0.81 0.00 0.00 -2.27 0.00 0.00 179.45 177.80 3hcp h ARG 614 N 1.25 0.72 -0.00 1.90 3.08 -1.01 -3.29 114.38 117.04 3hcp h ARG 614 Ca 0.39 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 60.21 3hcp h ARG 614 Cb -0.01 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 29.98 3hcp h ARG 614 CO -0.12 0.80 -0.45 0.54 -1.07 0.00 0.00 179.97 179.67 3hcp n ARG 615 N -4.43 0.22 0.06 0.04 1.74 0.19 -4.36 116.66 110.12 3hcp n ARG 615 Ca -0.01 -0.13 -0.12 0.00 -0.77 0.00 0.00 57.85 56.83 3hcp n ARG 615 Cb 0.29 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.17 3hcp n ARG 615 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 3hcp h THR 616 N 0.31 0.78 -0.56 0.55 2.02 -1.29 -2.29 112.91 112.44 3hcp h THR 616 Ca 0.00 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.27 3hcp h THR 616 Cb 0.50 0.78 -0.07 0.00 -1.74 0.00 0.00 68.15 67.62 3hcp h THR 616 CO 0.00 0.00 0.16 -0.65 0.37 0.00 0.00 175.52 175.40 3hcp h PRO 617 N -0.17 0.31 -0.85 6.66 0.11 -1.79 0.25 132.00 136.52 3hcp h PRO 617 Ca 0.02 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.10 3hcp h PRO 617 Cb 0.20 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 31.20 3hcp h PRO 617 CO -0.07 0.20 0.45 -0.22 -0.21 0.00 0.00 178.00 178.16 3hcp h LYS 618 N 0.32 1.18 0.10 1.05 3.64 -1.80 -1.93 116.57 119.13 3hcp h LYS 618 Ca 0.28 -0.14 -0.26 0.00 -1.27 0.00 0.00 60.65 59.26 3hcp h LYS 618 Cb 0.37 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 3hcp h LYS 618 CO -0.33 0.87 -1.18 0.82 -2.27 0.00 0.00 179.45 177.37 3hcp h ILE 619 N 1.19 1.50 -0.81 2.00 1.08 -0.81 -2.55 117.51 119.10 3hcp h ILE 619 Ca 0.30 -2.98 0.00 0.00 -0.39 0.00 0.00 64.86 61.79 3hcp h ILE 619 Cb 0.04 2.85 -0.04 0.00 -3.07 0.00 0.00 36.82 36.61 3hcp h ILE 619 CO -0.05 0.87 0.51 1.56 -0.69 0.00 0.00 178.15 180.35 3hcp h GLN 620 N 0.09 1.09 -0.40 2.37 4.20 -0.38 -1.83 115.11 120.26 3hcp h GLN 620 Ca -0.12 -0.08 -0.11 0.00 0.06 0.00 0.00 58.65 58.40 3hcp h GLN 620 Cb 1.89 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 29.43 3hcp h GLN 620 CO 0.19 0.75 -0.18 1.49 -0.67 0.00 0.00 178.83 180.41 3hcp h GLU 621 N 1.11 0.82 -0.24 1.46 4.57 -1.26 0.14 114.58 121.19 3hcp h GLU 621 Ca 0.29 -0.35 0.04 0.00 -1.18 0.00 0.00 59.36 58.16 3hcp h GLU 621 Cb -0.08 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.45 3hcp h GLU 621 CO -0.06 0.98 0.01 1.96 -1.18 0.00 0.00 179.01 180.73 3hcp h GLN 622 N 0.63 0.09 -0.50 1.92 4.20 -1.05 -1.48 115.11 118.92 3hcp h GLN 622 Ca 0.09 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 3hcp h GLN 622 Cb 0.73 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.47 3hcp h GLN 622 CO 0.06 0.06 0.25 1.88 -0.67 0.00 0.00 178.83 180.41 3hcp h TYR 623 N 0.09 0.67 -0.72 2.96 -1.99 -1.05 -2.35 116.97 114.58 3hcp h TYR 623 Ca 0.11 -0.01 -0.02 0.00 2.00 0.00 0.00 58.73 60.81 3hcp h TYR 623 Cb 0.13 -0.22 -0.03 0.00 2.00 0.00 0.00 36.73 38.61 3hcp h TYR 623 CO -0.18 0.49 0.36 -0.09 -0.00 0.00 0.00 178.16 178.73 3hcp h ARG 624 N 0.69 1.03 0.00 4.88 2.43 -0.37 0.14 114.38 123.17 3hcp h ARG 624 Ca 0.18 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3hcp h ARG 624 Cb 0.05 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.41 3hcp h ARG 624 CO -0.03 0.80 0.00 0.00 -1.51 0.00 0.00 179.97 179.23 3hcp h ARG 625 N 1.00 0.00 -0.40 0.20 2.47 -0.73 -2.54 114.38 114.38 3hcp h ARG 625 Ca 0.25 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.97 3hcp h ARG 625 Cb 0.10 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.42 3hcp h ARG 625 CO -0.03 0.00 0.00 0.44 0.56 0.00 0.00 179.97 180.94 3hcp n ILE 626 N -2.87 1.62 0.00 2.04 -5.35 -0.74 -4.95 119.36 109.11 3hcp n ILE 626 Ca -0.01 -1.33 0.00 0.00 -0.27 0.00 0.00 62.75 61.13 3hcp n ILE 626 Cb 0.13 0.17 0.00 0.00 -1.74 0.00 0.00 39.64 38.20 3hcp n ILE 626 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hcp n GLY 627 N 0.36 0.74 0.00 3.28 0.00 -0.96 -4.74 105.19 103.88 3hcp n GLY 627 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3hcp n GLY 627 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hcp n GLY 628 N -1.02 1.15 0.00 -0.02 0.00 0.41 -4.98 105.19 100.73 3hcp n GLY 628 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3hcp n GLY 628 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hcp n GLY 629 N -1.40 -0.43 3.76 -0.02 0.00 -1.24 -2.98 105.19 102.88 3hcp n GLY 629 Ca 0.00 -1.08 -0.39 0.00 0.00 0.00 0.00 46.02 44.55 3hcp n GLY 629 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hcp s SER 630 N 0.00 6.91 0.00 1.61 0.15 -0.30 -4.97 113.70 117.10 3hcp s SER 630 Ca 0.00 1.09 0.15 0.00 0.70 0.00 0.00 55.95 57.89 3hcp s SER 630 Cb 0.00 -2.34 0.73 0.00 -1.71 0.00 0.00 66.02 62.70 3hcp s SER 630 CO 0.00 0.09 1.50 -0.81 1.20 0.00 0.00 173.24 175.22 3hcp n PRO 631 N 2.85 1.30 -0.18 5.44 -0.04 -1.26 -4.46 135.00 138.65 3hcp n PRO 631 Ca -0.07 -0.46 -0.01 0.00 -0.04 0.00 0.00 63.50 62.92 3hcp n PRO 631 Cb 0.51 -1.27 0.09 0.00 -0.04 0.00 0.00 33.50 32.79 3hcp n PRO 631 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 3hcp h ILE 632 N 0.87 0.74 -0.54 0.52 6.09 -1.92 -1.88 117.51 121.38 3hcp h ILE 632 Ca 0.00 -0.11 -0.07 0.00 -1.37 0.00 0.00 64.86 63.31 3hcp h ILE 632 Cb 0.19 0.40 -0.02 0.00 0.47 0.00 0.00 36.82 37.86 3hcp h ILE 632 CO 0.00 0.06 0.06 0.50 -3.07 0.00 0.00 178.15 175.70 3hcp h LYS 633 N 0.32 0.91 0.12 2.19 3.64 -1.91 -0.71 116.57 121.13 3hcp h LYS 633 Ca 0.28 -0.26 0.02 0.00 -1.27 0.00 0.00 60.65 59.42 3hcp h LYS 633 Cb 0.36 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 3hcp h LYS 633 CO -0.32 0.90 -0.25 0.82 -2.27 0.00 0.00 179.45 178.33 3hcp h ILE 634 N 0.80 0.44 -0.49 2.00 1.08 -1.78 -0.76 117.51 118.80 3hcp h ILE 634 Ca 0.16 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.61 3hcp h ILE 634 Cb 0.45 0.44 -0.02 0.00 -3.07 0.00 0.00 36.82 34.62 3hcp h ILE 634 CO 0.02 0.00 0.21 -0.50 -0.69 0.00 0.00 178.15 177.18 3hcp h TRP 635 N -0.46 0.72 -0.50 1.37 -0.00 -1.23 -1.80 115.95 114.05 3hcp h TRP 635 Ca 0.03 -0.05 0.02 0.00 -0.00 0.00 0.00 58.89 58.89 3hcp h TRP 635 Cb 0.48 -0.22 -0.03 0.00 -0.00 0.00 0.00 29.16 29.39 3hcp h TRP 635 CO -0.23 0.60 0.30 1.15 -0.00 0.00 0.00 178.44 180.25 3hcp h THR 636 N 0.64 1.05 -0.01 1.49 2.02 -1.04 -0.56 112.91 116.51 3hcp h THR 636 Ca 0.16 -0.20 0.01 0.00 0.77 0.00 0.00 66.41 67.15 3hcp h THR 636 Cb 0.17 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 3hcp h THR 636 CO -0.02 0.11 -0.03 0.28 0.37 0.00 0.00 175.52 176.23 3hcp h SER 637 N 0.59 -0.09 -0.35 4.18 0.02 -1.02 0.21 113.55 117.09 3hcp h SER 637 Ca 0.20 0.02 0.03 0.00 -0.84 0.00 0.00 61.79 61.20 3hcp h SER 637 Cb 0.02 0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.56 3hcp h SER 637 CO -0.09 -0.04 0.16 0.50 -1.14 0.00 0.00 176.83 176.21 3hcp h LYS 638 N -0.05 0.32 -0.32 3.45 3.64 -1.17 0.78 116.57 123.22 3hcp h LYS 638 Ca 0.02 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3hcp h LYS 638 Cb 0.07 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 3hcp h LYS 638 CO -0.04 0.21 0.15 1.96 -2.27 0.00 0.00 179.45 179.45 3hcp h GLN 639 N 0.33 0.46 -0.80 1.90 4.20 -0.92 -2.04 115.11 118.24 3hcp h GLN 639 Ca 0.15 -0.07 0.01 0.00 0.06 0.00 0.00 58.65 58.80 3hcp h GLN 639 Cb 0.09 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.75 3hcp h GLN 639 CO -0.13 0.44 0.53 0.78 -0.67 0.00 0.00 178.83 179.78 3hcp h GLY 640 N 0.37 1.12 0.97 3.46 0.00 -0.20 0.56 103.07 109.36 3hcp h GLY 640 Ca 0.11 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 3hcp h GLY 640 CO -0.01 0.41 0.23 0.83 0.00 0.00 0.00 176.54 178.00 3hcp h GLU 641 N 1.08 0.62 -0.51 4.80 5.08 -0.71 -1.60 114.58 123.35 3hcp h GLU 641 Ca 0.29 -0.08 -0.12 0.00 -1.00 0.00 0.00 59.36 58.45 3hcp h GLU 641 Cb -0.13 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 28.99 3hcp h GLU 641 CO -0.06 0.51 -0.16 0.78 -1.00 0.00 0.00 179.01 179.07 3hcp h GLY 642 N 0.57 1.09 0.75 -3.84 0.00 -1.13 -2.33 103.07 98.17 3hcp h GLY 642 Ca 0.15 -0.93 0.01 0.00 0.00 0.00 0.00 47.33 46.57 3hcp h GLY 642 CO -0.02 0.84 -0.16 1.98 0.00 0.00 0.00 176.54 179.18 3hcp h MET 643 N 0.87 -0.32 -0.83 4.80 1.85 -0.68 -2.59 114.93 118.02 3hcp h MET 643 Ca 0.12 0.02 0.02 0.00 -0.61 0.00 0.00 59.70 59.25 3hcp h MET 643 Cb 0.74 0.07 -0.04 0.00 0.43 0.00 0.00 31.60 32.80 3hcp h MET 643 CO 0.06 -0.21 0.55 0.28 -0.40 0.00 0.00 176.91 177.18 3hcp h VAL 644 N -0.33 1.19 -0.45 -5.77 2.07 -1.20 0.11 116.25 111.87 3hcp h VAL 644 Ca 0.02 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.16 3hcp h VAL 644 Cb 0.34 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.08 3hcp h VAL 644 CO -0.07 0.20 0.27 0.50 0.02 0.00 0.00 177.57 178.49 3hcp h LYS 645 N 1.10 0.61 -0.46 1.57 3.64 -1.36 -0.68 116.57 120.99 3hcp h LYS 645 Ca 0.31 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.54 3hcp h LYS 645 Cb -0.09 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.59 3hcp h LYS 645 CO -0.08 0.45 -0.08 -0.07 -2.27 0.00 0.00 179.45 177.40 3hcp h LEU 646 N 0.60 0.86 -1.04 5.20 3.38 -1.04 -3.25 115.31 120.02 3hcp h LEU 646 Ca 0.16 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 3hcp h LEU 646 Cb -0.00 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.48 3hcp h LEU 646 CO -0.03 1.01 0.39 -0.07 0.09 0.00 0.00 178.44 179.83 3hcp h LEU 647 N 0.70 0.96 -1.99 1.67 3.38 -0.15 -0.02 115.31 119.86 3hcp h LEU 647 Ca 0.12 -0.09 0.06 0.00 0.09 0.00 0.00 57.88 58.06 3hcp h LEU 647 Cb 0.61 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3hcp h LEU 647 CO 0.04 0.79 0.16 0.44 0.09 0.00 0.00 178.44 179.96 3hcp h ASP 648 N 1.07 0.01 0.12 -0.43 3.32 -1.18 0.31 116.42 119.64 3hcp h ASP 648 Ca 0.27 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.96 3hcp h ASP 648 Cb 0.06 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 3hcp h ASP 648 CO -0.04 0.01 -1.93 -0.62 -1.72 0.00 0.00 179.24 174.94 3hcp n GLU 649 N -4.47 0.75 -0.25 3.56 -0.58 -0.88 -3.76 120.64 115.00 3hcp n GLU 649 Ca 0.02 0.29 -0.06 0.00 -0.42 0.00 0.00 57.16 57.00 3hcp n GLU 649 Cb 0.30 -1.72 0.08 0.00 -0.57 0.00 0.00 31.44 29.54 3hcp n GLU 649 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 3hcp h LEU 650 N -0.02 1.04 -6.01 -4.62 3.38 -0.77 -3.38 115.31 104.93 3hcp h LEU 650 Ca -0.42 -0.19 -0.56 0.00 0.09 0.00 0.00 57.88 56.81 3hcp h LEU 650 Cb 1.97 -0.27 -0.40 0.00 0.09 0.00 0.00 40.66 42.05 3hcp h LEU 650 CO 0.06 0.96 -0.96 -0.24 0.09 0.00 0.00 178.44 178.35 3hcp n SER 651 N -4.26 1.40 0.12 -0.43 2.88 0.08 -4.95 113.62 108.46 3hcp n SER 651 Ca 0.06 -2.98 0.16 0.00 -1.33 0.00 0.00 58.87 54.78 3hcp n SER 651 Cb 0.22 -0.64 0.71 0.00 -0.75 0.00 0.00 64.21 63.75 3hcp n SER 651 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3hcp h PRO 652 N 3.86 0.00 0.00 -1.46 0.11 -1.75 -1.84 132.00 130.92 3hcp h PRO 652 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 3hcp h PRO 652 Cb 0.81 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.92 3hcp h PRO 652 CO 0.58 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.46 3hcp n ASN 653 N -4.29 0.63 -0.31 -2.05 5.03 -1.26 -2.65 115.26 110.36 3hcp n ASN 653 Ca 0.04 0.62 0.04 0.00 0.87 0.00 0.00 54.58 56.16 3hcp n ASN 653 Cb 0.40 -0.77 0.04 0.00 -1.02 0.00 0.00 39.78 38.43 3hcp n ASN 653 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 3hcp n THR 654 N -2.16 0.10 -1.97 3.41 -2.24 -0.71 -5.03 114.28 105.67 3hcp n THR 654 Ca 0.03 -0.55 -0.32 0.00 -2.27 0.00 0.00 64.05 60.94 3hcp n THR 654 Cb 0.28 1.09 0.02 0.00 -2.10 0.00 0.00 70.33 69.62 3hcp n THR 654 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hcp s ALA 655 N -0.66 2.74 0.24 6.98 0.00 -1.07 -3.49 121.76 126.49 3hcp s ALA 655 Ca 0.09 0.33 -0.30 0.00 0.00 0.00 0.00 51.96 52.08 3hcp s ALA 655 Cb 0.06 -3.22 -0.09 0.00 0.00 0.00 0.00 23.12 19.88 3hcp s ALA 655 CO 0.10 -0.87 1.19 -2.14 0.00 0.00 0.00 175.76 174.04 3hcp s PRO 656 N -4.26 4.51 0.19 0.00 0.02 -1.26 -4.59 135.00 129.62 3hcp s PRO 656 Ca 0.62 1.91 -0.06 0.00 0.02 0.00 0.00 61.00 63.49 3hcp s PRO 656 Cb -0.15 -3.20 -0.06 0.00 0.02 0.00 0.00 34.50 31.11 3hcp s PRO 656 CO 0.40 -0.01 0.46 -1.01 -0.33 0.00 0.00 177.00 176.50 3hcp s HIS 657 N -0.56 3.45 -0.00 6.54 3.76 -1.26 -0.19 115.29 127.03 3hcp s HIS 657 Ca 0.50 0.68 0.01 0.00 -0.15 0.00 0.00 55.06 56.09 3hcp s HIS 657 Cb -0.34 -2.10 -0.00 0.00 1.11 0.00 0.00 32.58 31.25 3hcp s HIS 657 CO 0.40 0.35 -0.03 0.21 -0.85 0.00 0.00 174.74 174.82 3hcp s LYS 658 N -2.81 0.26 0.01 1.40 2.20 -0.23 -4.95 119.74 115.62 3hcp s LYS 658 Ca 0.44 -0.11 -0.02 0.00 -0.36 0.00 0.00 55.97 55.92 3hcp s LYS 658 Cb -0.12 -0.25 -0.04 0.00 -1.51 0.00 0.00 37.83 35.91 3hcp s LYS 658 CO 0.24 0.07 0.18 1.52 -0.36 0.00 0.00 175.35 177.00 3hcp s TYR 659 N -0.06 3.53 -0.01 4.03 -0.85 -1.26 -0.44 117.35 122.29 3hcp s TYR 659 Ca 0.01 0.32 0.05 0.00 -0.52 0.00 0.00 57.07 56.93 3hcp s TYR 659 Cb -0.01 -1.80 -0.01 0.00 0.38 0.00 0.00 41.96 40.51 3hcp s TYR 659 CO -0.00 0.63 -0.15 0.71 -1.52 0.00 0.00 175.55 175.22 3hcp s TYR 660 N -1.37 1.34 -0.16 -3.49 1.51 0.30 -4.88 117.35 110.59 3hcp s TYR 660 Ca 0.29 -0.26 -0.17 0.00 -1.01 0.00 0.00 57.07 55.93 3hcp s TYR 660 Cb -0.13 -0.86 -0.04 0.00 -0.11 0.00 0.00 41.96 40.82 3hcp s TYR 660 CO 0.21 -0.02 0.43 0.42 -1.11 0.00 0.00 175.55 175.48 3hcp s ILE 661 N -0.37 5.19 -0.47 2.71 1.01 -1.26 -0.31 121.20 127.71 3hcp s ILE 661 Ca 0.06 0.82 0.04 0.00 0.00 0.00 0.00 60.65 61.56 3hcp s ILE 661 Cb -0.06 -3.77 0.13 0.00 0.01 0.00 0.00 42.46 38.77 3hcp s ILE 661 CO -0.01 0.28 0.22 -0.83 0.00 0.00 0.00 174.94 174.61 3hcp s GLY 662 N 0.83 2.19 0.21 6.18 0.00 -0.03 -4.59 107.32 112.11 3hcp s GLY 662 Ca 0.22 -2.99 -0.26 0.00 0.00 0.00 0.00 44.72 41.69 3hcp s GLY 662 CO 0.08 1.11 0.84 -1.36 0.00 0.00 0.00 173.10 173.78 3hcp s PHE 663 N 0.07 3.88 0.13 1.90 2.99 0.01 -2.72 117.98 124.25 3hcp s PHE 663 Ca 0.16 1.71 -0.12 0.00 0.00 0.00 0.00 56.93 58.68 3hcp s PHE 663 Cb -0.24 -2.83 -0.03 0.00 0.00 0.00 0.00 43.02 39.91 3hcp s PHE 663 CO -0.02 0.44 1.50 -0.09 -0.00 0.00 0.00 175.22 177.05 3hcp h ARG 664 N 4.03 0.87 -0.00 0.44 9.65 -0.82 -1.40 114.38 127.14 3hcp h ARG 664 Ca -0.46 -0.40 0.00 0.00 -1.10 0.00 0.00 59.98 58.02 3hcp h ARG 664 Cb 1.20 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.77 3hcp h ARG 664 CO 0.66 1.04 -0.00 0.66 2.80 0.00 0.00 179.97 185.13 3hcp n TYR 665 N -4.19 0.00 -4.21 2.20 4.02 -0.79 -4.73 117.16 109.46 3hcp n TYR 665 Ca -0.02 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.75 3hcp n TYR 665 Cb 0.46 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.68 3hcp n TYR 665 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 3hcp s VAL 666 N -0.22 0.32 0.34 -0.72 -7.23 -1.26 -4.17 120.40 107.46 3hcp s VAL 666 Ca 0.01 -1.96 -0.27 0.00 -1.81 0.00 0.00 61.98 57.95 3hcp s VAL 666 Cb 0.00 -2.25 -0.09 0.00 0.56 0.00 0.00 36.38 34.60 3hcp s VAL 666 CO 0.01 -0.30 1.10 -1.00 -0.31 0.00 0.00 175.10 174.60 3hcp s HIS 667 N -3.91 3.38 -0.01 2.82 3.76 -1.26 -2.86 115.29 117.20 3hcp s HIS 667 Ca 0.29 1.65 -0.30 0.00 -0.15 0.00 0.00 55.06 56.55 3hcp s HIS 667 Cb 0.07 -3.26 -0.04 0.00 1.11 0.00 0.00 32.58 30.47 3hcp s HIS 667 CO 0.06 -0.72 1.15 -1.25 -0.85 0.00 0.00 174.74 173.13 3hcp s PRO 668 N -1.95 4.42 0.60 8.40 0.04 -1.26 -4.96 135.00 140.29 3hcp s PRO 668 Ca 0.51 1.64 -0.15 0.00 0.04 0.00 0.00 61.00 63.05 3hcp s PRO 668 Cb -0.29 -3.47 -0.03 0.00 0.04 0.00 0.00 34.50 30.75 3hcp s PRO 668 CO 0.36 -0.31 1.05 -0.51 0.04 0.00 0.00 177.00 177.63 3hcp s LEU 669 N 1.61 3.45 0.27 -3.56 1.43 -1.14 -0.81 118.68 119.94 3hcp s LEU 669 Ca 0.56 1.75 -0.02 0.00 -1.03 0.00 0.00 54.13 55.39 3hcp s LEU 669 Cb -0.25 -4.52 0.59 0.00 0.03 0.00 0.00 46.19 42.04 3hcp s LEU 669 CO 0.25 -1.13 1.65 0.74 0.23 0.00 0.00 176.35 178.09 3hcp h THR 670 N 0.30 0.37 -0.40 5.49 2.02 -1.48 -0.58 112.91 118.62 3hcp h THR 670 Ca -0.46 -0.07 -0.06 0.00 0.77 0.00 0.00 66.41 66.58 3hcp h THR 670 Cb 1.21 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 3hcp h THR 670 CO 0.58 0.04 -0.02 -0.33 0.37 0.00 0.00 175.52 176.16 3hcp h GLU 671 N 0.20 0.66 -0.40 6.66 3.07 -1.91 -0.74 114.58 122.12 3hcp h GLU 671 Ca 0.49 -0.16 -0.15 0.00 -0.50 0.00 0.00 59.36 59.04 3hcp h GLU 671 Cb 0.93 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.75 3hcp h GLU 671 CO -0.63 0.69 -0.33 0.93 -1.40 0.00 0.00 179.01 178.27 3hcp h GLU 672 N 0.62 0.93 -0.40 2.33 5.08 -1.51 -2.21 114.58 119.42 3hcp h GLU 672 Ca 0.12 -0.47 -0.02 0.00 -1.00 0.00 0.00 59.36 57.99 3hcp h GLU 672 Cb 0.41 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 3hcp h GLU 672 CO 0.02 1.13 0.16 0.00 -1.00 0.00 0.00 179.01 179.31 3hcp h ALA 673 N 0.79 0.52 -0.58 3.43 0.00 -0.87 -1.10 119.26 121.44 3hcp h ALA 673 Ca 0.07 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3hcp h ALA 673 Cb 0.93 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 3hcp h ALA 673 CO 0.09 0.12 0.28 0.82 0.00 0.00 0.00 179.25 180.56 3hcp h ILE 674 N 0.50 1.21 -0.51 0.00 2.04 -1.06 -0.00 117.51 119.69 3hcp h ILE 674 Ca 0.13 -0.59 0.06 0.00 1.00 0.00 0.00 64.86 65.47 3hcp h ILE 674 Cb 0.19 0.52 -0.05 0.00 -0.74 0.00 0.00 36.82 36.73 3hcp h ILE 674 CO -0.01 0.24 0.21 -0.08 0.00 0.00 0.00 178.15 178.51 3hcp h GLU 675 N 0.79 0.40 -0.33 2.37 4.81 -1.10 0.05 114.58 121.57 3hcp h GLU 675 Ca 0.20 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.34 3hcp h GLU 675 Cb 0.12 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 3hcp h GLU 675 CO -0.03 0.26 -0.05 1.49 -0.73 0.00 0.00 179.01 179.96 3hcp h GLU 676 N 0.41 0.61 -0.40 1.92 4.81 -0.77 -0.65 114.58 120.52 3hcp h GLU 676 Ca 0.24 -0.22 0.07 0.00 -0.13 0.00 0.00 59.36 59.31 3hcp h GLU 676 Cb 0.22 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.50 3hcp h GLU 676 CO -0.21 0.77 0.04 0.52 -0.73 0.00 0.00 179.01 179.40 3hcp h MET 677 N 0.40 0.15 -0.45 1.92 2.86 -0.66 0.43 114.93 119.58 3hcp h MET 677 Ca 0.09 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 3hcp h MET 677 Cb 0.53 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.14 3hcp h MET 677 CO 0.03 0.10 0.23 0.93 1.06 0.00 0.00 176.91 179.25 3hcp h GLU 678 N 0.15 0.64 -0.45 1.72 4.39 -0.79 -2.38 114.58 117.85 3hcp h GLU 678 Ca 0.19 -0.09 0.02 0.00 0.34 0.00 0.00 59.36 59.83 3hcp h GLU 678 Cb 0.26 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 3hcp h GLU 678 CO -0.29 0.53 0.30 0.00 -1.16 0.00 0.00 179.01 178.39 3hcp h ARG 679 N 0.59 0.51 0.00 2.33 3.08 -0.94 -2.52 114.38 117.43 3hcp h ARG 679 Ca 0.16 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.18 3hcp h ARG 679 Cb 0.10 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.03 3hcp h ARG 679 CO -0.02 0.34 0.00 -0.25 -1.07 0.00 0.00 179.97 178.97 3hcp n ASP 680 N -4.48 0.11 -2.38 7.04 8.00 0.13 -4.91 116.55 120.06 3hcp n ASP 680 Ca 0.04 0.52 -0.16 0.00 0.71 0.00 0.00 54.79 55.91 3hcp n ASP 680 Cb 0.12 -0.55 0.04 0.00 -0.02 0.00 0.00 41.12 40.71 3hcp n ASP 680 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hcp n GLY 681 N 0.32 -0.11 3.75 0.44 0.00 -0.95 -4.78 105.19 103.86 3hcp n GLY 681 Ca 0.04 -0.10 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 3hcp n GLY 681 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hcp s LEU 682 N -5.03 3.76 0.08 0.99 1.43 -1.24 -4.96 118.68 113.70 3hcp s LEU 682 Ca 0.30 2.59 -0.09 0.00 -1.03 0.00 0.00 54.13 55.90 3hcp s LEU 682 Cb -0.13 -4.43 -0.22 0.00 0.03 0.00 0.00 46.19 41.44 3hcp s LEU 682 CO 0.37 -1.61 1.18 -0.33 0.23 0.00 0.00 176.35 176.20 3hcp h GLU 683 N 1.18 0.48 -4.08 1.70 5.08 -1.57 -3.41 114.58 113.96 3hcp h GLU 683 Ca -0.51 -0.63 -0.27 0.00 -1.00 0.00 0.00 59.36 56.96 3hcp h GLU 683 Cb 1.30 0.20 -0.27 0.00 0.50 0.00 0.00 28.75 30.49 3hcp h GLU 683 CO 0.56 1.26 -0.73 0.50 -1.00 0.00 0.00 179.01 179.59 3hcp s ARG 684 N -3.01 0.26 -0.09 2.33 3.52 -1.11 -2.19 118.95 118.65 3hcp s ARG 684 Ca -0.07 -0.21 0.02 0.00 -0.13 0.00 0.00 55.73 55.34 3hcp s ARG 684 Cb 0.07 -0.19 0.01 0.00 -1.56 0.00 0.00 34.95 33.28 3hcp s ARG 684 CO 0.90 0.05 -0.14 0.00 -0.81 0.00 0.00 175.30 175.29 3hcp s ALA 685 N -0.31 1.57 -0.23 6.12 0.00 0.56 -0.61 121.76 128.86 3hcp s ALA 685 Ca -0.02 -0.64 -0.02 0.00 0.00 0.00 0.00 51.96 51.29 3hcp s ALA 685 Cb -0.03 -0.75 0.01 0.00 0.00 0.00 0.00 23.12 22.35 3hcp s ALA 685 CO -0.00 -0.01 -0.07 0.42 0.00 0.00 0.00 175.76 176.10 3hcp s ILE 686 N 0.88 2.94 -0.76 0.00 1.01 -0.08 -2.33 121.20 122.86 3hcp s ILE 686 Ca -0.09 -0.82 -0.26 0.00 0.00 0.00 0.00 60.65 59.48 3hcp s ILE 686 Cb -0.15 -2.41 0.01 0.00 0.01 0.00 0.00 42.46 39.92 3hcp s ILE 686 CO 0.01 0.33 1.53 0.00 0.00 0.00 0.00 174.94 176.80 3hcp s ALA 687 N 1.38 2.48 -0.56 9.38 0.00 -0.15 -0.46 121.76 133.82 3hcp s ALA 687 Ca 0.03 -1.32 -0.07 0.00 0.00 0.00 0.00 51.96 50.60 3hcp s ALA 687 Cb -0.15 -4.34 0.15 0.00 0.00 0.00 0.00 23.12 18.77 3hcp s ALA 687 CO -0.05 -3.65 0.42 0.12 0.00 0.00 0.00 175.76 172.60 3hcp s PHE 688 N 6.96 3.49 0.35 0.00 5.99 0.48 -1.54 117.98 133.71 3hcp s PHE 688 Ca 0.49 -2.20 -0.29 0.00 0.00 0.00 0.00 56.93 54.94 3hcp s PHE 688 Cb -0.08 -3.43 -0.11 0.00 0.00 0.00 0.00 43.02 39.40 3hcp s PHE 688 CO 0.11 -0.95 1.41 -0.08 -0.00 0.00 0.00 175.22 175.72 3hcp s THR 689 N 0.74 2.37 -2.53 0.12 -1.32 -0.79 -2.06 115.64 112.17 3hcp s THR 689 Ca 0.11 0.37 0.26 0.00 -1.21 0.00 0.00 61.69 61.22 3hcp s THR 689 Cb -0.22 -3.24 0.47 0.00 -1.51 0.00 0.00 72.50 68.01 3hcp s THR 689 CO -0.03 0.09 1.62 0.00 -2.21 0.00 0.00 174.62 174.08 3hcp n GLN 690 N 0.80 1.81 -3.13 7.08 1.13 -0.13 -4.74 117.38 120.20 3hcp n GLN 690 Ca 0.01 -1.19 -0.42 0.00 -1.94 0.00 0.00 57.00 53.46 3hcp n GLN 690 Cb 0.40 -1.46 -0.07 0.00 0.11 0.00 0.00 30.24 29.22 3hcp n GLN 690 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 3hcp s TYR 691 N -1.94 3.13 0.47 1.08 1.51 -1.26 -4.64 117.35 115.71 3hcp s TYR 691 Ca 0.35 0.22 0.16 0.00 -1.01 0.00 0.00 57.07 56.79 3hcp s TYR 691 Cb 0.20 -3.17 1.12 0.00 -0.11 0.00 0.00 41.96 40.00 3hcp s TYR 691 CO 0.32 -0.68 2.05 -1.35 -1.11 0.00 0.00 175.55 174.77 3hcp h PRO 692 N 8.57 0.00 -5.37 -1.71 0.11 -1.85 -3.42 132.00 128.33 3hcp h PRO 692 Ca -0.26 0.00 -0.63 0.00 0.11 0.00 0.00 66.00 65.21 3hcp h PRO 692 Cb 1.11 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 32.03 3hcp h PRO 692 CO 0.84 0.12 -0.63 -0.65 -0.21 0.00 0.00 178.00 177.47 3hcp s GLN 693 N -4.76 3.68 -0.14 1.05 1.11 -1.26 0.09 119.66 119.44 3hcp s GLN 693 Ca -0.04 -0.46 -0.26 0.00 0.01 0.00 0.00 55.36 54.61 3hcp s GLN 693 Cb 0.16 -2.99 -0.02 0.00 -1.01 0.00 0.00 33.01 29.16 3hcp s GLN 693 CO 0.68 0.31 0.87 -0.47 0.01 0.00 0.00 175.29 176.68 3hcp s TYR 694 N 0.22 3.46 0.10 0.91 5.04 -1.26 -4.85 117.35 120.96 3hcp s TYR 694 Ca -0.00 1.35 0.10 0.00 -2.44 0.00 0.00 57.07 56.08 3hcp s TYR 694 Cb -0.13 -3.04 -0.04 0.00 0.35 0.00 0.00 41.96 39.10 3hcp s TYR 694 CO 0.02 -0.20 -0.25 0.45 -1.34 0.00 0.00 175.55 174.23 3hcp s SER 695 N 1.10 3.09 0.57 4.32 0.15 -1.26 -1.68 113.70 119.99 3hcp s SER 695 Ca 0.41 -0.69 0.32 0.00 0.70 0.00 0.00 55.95 56.69 3hcp s SER 695 Cb -0.17 -0.22 1.72 0.00 -1.71 0.00 0.00 66.02 65.64 3hcp s SER 695 CO 0.15 0.17 2.16 0.00 1.20 0.00 0.00 173.24 176.92 3hcp h SER 697 N 0.00 0.00 0.00 0.00 4.64 -1.95 -2.24 113.55 114.00 3hcp h SER 697 Ca -0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3hcp h SER 697 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 3hcp h SER 697 CO 0.01 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.32 3hcp n THR 698 N -2.67 0.00 -0.22 2.95 -2.24 -0.97 -4.52 114.28 106.62 3hcp n THR 698 Ca 0.05 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.79 3hcp n THR 698 Cb 0.48 -0.28 0.07 0.00 -2.10 0.00 0.00 70.33 68.51 3hcp n THR 698 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3hcp h THR 699 N 0.00 1.03 -0.58 4.28 2.02 -1.76 -1.74 112.91 116.16 3hcp h THR 699 Ca 0.00 -0.25 0.06 0.00 0.77 0.00 0.00 66.41 67.00 3hcp h THR 699 Cb 0.00 0.25 -0.06 0.00 -1.74 0.00 0.00 68.15 66.60 3hcp h THR 699 CO 0.00 0.13 0.28 1.23 0.37 0.00 0.00 175.52 177.53 3hcp h GLY 700 N 0.72 0.83 0.99 2.16 0.00 -1.37 -0.58 103.07 105.81 3hcp h GLY 700 Ca 0.27 -0.18 -0.03 0.00 0.00 0.00 0.00 47.33 47.39 3hcp h GLY 700 CO -0.13 0.08 0.23 0.23 0.00 0.00 0.00 176.54 176.95 3hcp h SER 701 N 0.52 0.79 -0.61 0.19 0.87 -0.87 -0.11 113.55 114.32 3hcp h SER 701 Ca 0.27 -0.17 -0.05 0.00 -1.23 0.00 0.00 61.79 60.61 3hcp h SER 701 Cb 0.23 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 61.96 3hcp h SER 701 CO -0.21 0.74 0.18 0.28 -0.53 0.00 0.00 176.83 177.28 3hcp h SER 702 N 0.79 0.90 -0.45 6.23 0.02 -0.71 -1.32 113.55 119.01 3hcp h SER 702 Ca 0.19 -0.22 -0.12 0.00 -0.84 0.00 0.00 61.79 60.81 3hcp h SER 702 Cb 0.19 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 3hcp h SER 702 CO -0.02 0.88 -0.17 -0.07 -1.14 0.00 0.00 176.83 176.31 3hcp h LEU 703 N 0.87 0.93 -1.14 5.07 3.38 -0.97 -2.85 115.31 120.60 3hcp h LEU 703 Ca 0.19 -0.39 0.12 0.00 0.09 0.00 0.00 57.88 57.89 3hcp h LEU 703 Cb 0.31 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 40.73 3hcp h LEU 703 CO -0.00 1.11 0.60 0.78 0.09 0.00 0.00 178.44 181.01 3hcp h ASN 704 N 0.75 0.82 -0.71 -0.43 2.35 -0.84 -1.88 115.58 115.64 3hcp h ASN 704 Ca 0.11 0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.89 3hcp h ASN 704 Cb 0.74 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.94 3hcp h ASN 704 CO 0.06 0.45 0.44 0.00 -1.65 0.00 0.00 177.43 176.73 3hcp h ALA 705 N 1.56 1.42 0.13 -0.83 0.00 -1.02 0.12 119.26 120.64 3hcp h ALA 705 Ca 0.45 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 3hcp h ALA 705 Cb 0.50 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3hcp h ALA 705 CO -0.22 0.50 -0.06 0.82 0.00 0.00 0.00 179.25 180.30 3hcp h ILE 706 N 0.98 1.04 -0.28 0.00 2.04 -1.15 -0.03 117.51 120.10 3hcp h ILE 706 Ca 0.26 -0.80 0.07 0.00 1.00 0.00 0.00 64.86 65.38 3hcp h ILE 706 Cb -0.05 1.53 -0.07 0.00 -0.74 0.00 0.00 36.82 37.49 3hcp h ILE 706 CO -0.05 0.19 -0.21 0.22 0.00 0.00 0.00 178.15 178.30 3hcp h TYR 707 N -0.56 -0.54 -0.22 1.37 3.20 -1.24 -2.58 116.97 116.39 3hcp h TYR 707 Ca -0.02 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.87 3hcp h TYR 707 Cb 0.44 0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.98 3hcp h TYR 707 CO 0.05 -0.29 0.03 0.00 -1.64 0.00 0.00 178.16 176.32 3hcp h ARG 708 N -0.19 0.32 0.39 1.82 3.08 -0.72 -1.61 114.38 117.47 3hcp h ARG 708 Ca 0.15 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 3hcp h ARG 708 Cb 0.42 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.41 3hcp h ARG 708 CO -0.40 0.32 -0.20 -0.92 -1.07 0.00 0.00 179.97 177.70 3hcp h TYR 709 N 0.32 -0.53 -0.59 3.04 3.20 -0.59 0.12 116.97 121.94 3hcp h TYR 709 Ca 0.08 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.88 3hcp h TYR 709 Cb 0.16 0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.59 3hcp h TYR 709 CO 0.00 -0.32 0.14 1.88 -1.64 0.00 0.00 178.16 178.22 3hcp h TYR 710 N -0.55 0.99 -0.72 -3.82 -1.99 -1.36 -0.13 116.97 109.39 3hcp h TYR 710 Ca -0.05 -0.12 0.03 0.00 2.00 0.00 0.00 58.73 60.60 3hcp h TYR 710 Cb 0.43 -0.28 -0.05 0.00 2.00 0.00 0.00 36.73 38.84 3hcp h TYR 710 CO -0.06 0.84 0.45 -0.97 -0.00 0.00 0.00 178.16 178.42 3hcp h ASN 711 N 0.85 0.73 0.86 3.88 -0.73 -1.21 -0.91 115.58 119.05 3hcp h ASN 711 Ca 0.18 0.00 -0.22 0.00 1.87 0.00 0.00 56.30 58.14 3hcp h ASN 711 Cb 0.35 -0.15 -0.02 0.00 0.27 0.00 0.00 38.32 38.76 3hcp h ASN 711 CO 0.00 0.50 -1.02 0.06 -0.37 0.00 0.00 177.43 176.61 3hcp h GLN 712 N 0.87 0.08 0.00 6.67 -0.00 -0.60 -3.17 115.11 118.96 3hcp h GLN 712 Ca 0.29 -0.12 -0.05 0.00 -0.00 0.00 0.00 58.65 58.77 3hcp h GLN 712 Cb 0.04 0.04 -0.01 0.00 -0.00 0.00 0.00 27.48 27.56 3hcp h GLN 712 CO -0.12 1.02 -0.24 -0.24 -0.00 0.00 0.00 178.83 179.26 3hcp h VAL 713 N 0.03 0.51 -1.24 1.86 3.04 -0.89 -3.47 116.25 116.09 3hcp h VAL 713 Ca -0.04 -1.28 -0.12 0.00 -1.01 0.00 0.00 66.70 64.25 3hcp h VAL 713 Cb 1.75 1.90 0.01 0.00 -2.01 0.00 0.00 31.29 32.94 3hcp h VAL 713 CO 0.14 0.23 -0.16 0.61 -1.01 0.00 0.00 177.57 177.38 3hcp n GLY 714 N 0.46 0.23 2.95 3.17 0.00 -0.36 -5.05 105.19 106.59 3hcp n GLY 714 Ca 0.01 -0.58 -0.10 0.00 0.00 0.00 0.00 46.02 45.35 3hcp n GLY 714 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hcp s ARG 715 N -4.57 0.22 0.58 1.61 0.52 -1.15 -5.07 118.95 111.08 3hcp s ARG 715 Ca 0.04 -0.43 -0.15 0.00 -0.52 0.00 0.00 55.73 54.68 3hcp s ARG 715 Cb -0.02 0.08 -0.05 0.00 0.52 0.00 0.00 34.95 35.48 3hcp s ARG 715 CO 0.05 -0.04 1.03 0.15 0.02 0.00 0.00 175.30 176.51 3hcp s LYS 716 N -1.02 3.54 0.83 3.54 -0.14 -1.26 -4.66 119.74 120.57 3hcp s LYS 716 Ca -0.11 1.00 -0.12 0.00 -1.36 0.00 0.00 55.97 55.38 3hcp s LYS 716 Cb -0.07 -2.07 0.10 0.00 -1.68 0.00 0.00 37.83 34.10 3hcp s LYS 716 CO -0.01 -0.61 1.17 -2.14 -0.76 0.00 0.00 175.35 173.00 3hcp s PRO 717 N -4.39 1.57 0.00 -1.68 0.02 -1.26 -4.94 135.00 124.32 3hcp s PRO 717 Ca 0.60 1.60 0.18 0.00 0.02 0.00 0.00 61.00 63.40 3hcp s PRO 717 Cb -0.13 -1.78 0.17 0.00 0.02 0.00 0.00 34.50 32.78 3hcp s PRO 717 CO 0.40 -2.24 1.10 0.25 -0.33 0.00 0.00 177.00 176.19 3hcp n THR 718 N -3.58 0.08 -4.26 0.99 -2.24 -1.26 -4.95 114.28 99.07 3hcp n THR 718 Ca 0.12 -0.54 -0.18 0.00 -2.27 0.00 0.00 64.05 61.18 3hcp n THR 718 Cb 0.51 1.30 -0.11 0.00 -2.10 0.00 0.00 70.33 69.94 3hcp n THR 718 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hcp s MET 719 N -1.47 1.06 -0.00 -0.78 0.00 -1.26 -4.92 119.30 111.93 3hcp s MET 719 Ca 0.23 -1.29 -0.30 0.00 0.00 0.00 0.00 55.69 54.33 3hcp s MET 719 Cb 0.15 -0.93 -0.04 0.00 0.00 0.00 0.00 34.83 34.02 3hcp s MET 719 CO 0.23 0.18 1.10 0.15 0.00 0.00 0.00 175.02 176.68 3hcp s LYS 720 N -2.81 4.46 0.11 3.16 1.02 -0.93 -4.86 119.74 119.89 3hcp s LYS 720 Ca 0.11 1.59 0.04 0.00 0.02 0.00 0.00 55.97 57.72 3hcp s LYS 720 Cb -0.04 -3.45 -0.04 0.00 -0.52 0.00 0.00 37.83 33.78 3hcp s LYS 720 CO 0.03 -0.23 0.09 -1.58 -0.92 0.00 0.00 175.35 172.75 3hcp s TRP 721 N 1.36 3.16 0.26 3.18 0.52 -1.26 -0.33 118.94 125.84 3hcp s TRP 721 Ca 0.55 0.04 -0.17 0.00 0.02 0.00 0.00 56.10 56.54 3hcp s TRP 721 Cb -0.24 -1.58 0.01 0.00 -1.15 0.00 0.00 33.47 30.51 3hcp s TRP 721 CO 0.26 0.52 0.59 -1.54 0.02 0.00 0.00 176.95 176.80 3hcp s SER 722 N -2.61 -0.18 0.00 2.95 1.04 -0.98 -4.84 113.70 109.08 3hcp s SER 722 Ca 0.30 -0.74 0.01 0.00 0.48 0.00 0.00 55.95 55.99 3hcp s SER 722 Cb -0.11 0.65 -0.00 0.00 0.10 0.00 0.00 66.02 66.65 3hcp s SER 722 CO 0.22 -1.22 -0.03 0.28 0.98 0.00 0.00 173.24 173.47 3hcp s THR 723 N -3.96 0.22 -0.55 2.02 -1.32 0.56 -0.98 115.64 111.63 3hcp s THR 723 Ca 0.16 -0.19 -0.16 0.00 -1.21 0.00 0.00 61.69 60.29 3hcp s THR 723 Cb -0.03 -0.20 0.13 0.00 -1.51 0.00 0.00 72.50 70.89 3hcp s THR 723 CO 0.07 0.01 0.51 -0.63 -2.21 0.00 0.00 174.62 172.37 3hcp s ILE 724 N -0.19 5.21 -0.95 5.08 1.01 -0.59 -3.80 121.20 126.98 3hcp s ILE 724 Ca -0.00 -1.51 0.22 0.00 0.00 0.00 0.00 60.65 59.36 3hcp s ILE 724 Cb -0.02 -4.35 -0.19 0.00 0.01 0.00 0.00 42.46 37.92 3hcp s ILE 724 CO -0.00 -0.88 0.97 -0.90 0.00 0.00 0.00 174.94 174.13 3hcp n ASP 725 N 5.25 0.86 -3.48 3.58 5.75 -1.26 -1.89 116.55 125.35 3hcp n ASP 725 Ca -0.13 -0.80 -0.11 0.00 -0.01 0.00 0.00 54.79 53.74 3hcp n ASP 725 Cb 0.40 0.91 -0.03 0.00 -1.03 0.00 0.00 41.12 41.37 3hcp n ASP 725 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hcp s ARG 726 N -3.03 0.99 -0.40 0.11 1.70 -1.26 -4.63 118.95 112.42 3hcp s ARG 726 Ca 0.08 -0.27 0.06 0.00 -0.47 0.00 0.00 55.73 55.13 3hcp s ARG 726 Cb 0.16 0.46 0.31 0.00 -0.57 0.00 0.00 34.95 35.31 3hcp s ARG 726 CO 0.84 -0.41 1.24 -2.67 -1.08 0.00 0.00 175.30 173.22 3hcp n TRP 727 N -0.09 -2.06 0.28 5.89 4.27 0.11 -5.03 117.44 120.81 3hcp n TRP 727 Ca -0.13 -1.67 0.18 0.00 -3.89 0.00 0.00 57.50 51.98 3hcp n TRP 727 Cb 0.62 1.50 0.74 0.00 -1.36 0.00 0.00 31.31 32.81 3hcp n TRP 727 CO 0.00 0.00 0.00 -1.00 -2.29 0.00 0.00 177.69 174.40 3hcp h PRO 728 N 2.26 0.00 0.00 -2.67 0.13 -1.72 -3.16 132.00 126.84 3hcp h PRO 728 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3hcp h PRO 728 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3hcp h PRO 728 CO -0.01 0.01 -0.03 0.25 -0.23 0.00 0.00 178.00 177.99 3hcp n THR 729 N -3.11 1.40 -1.66 1.56 -2.24 -1.26 -4.09 114.28 104.87 3hcp n THR 729 Ca 0.00 -1.61 -0.47 0.00 -2.27 0.00 0.00 64.05 59.71 3hcp n THR 729 Cb 0.28 0.11 -0.04 0.00 -2.10 0.00 0.00 70.33 68.58 3hcp n THR 729 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 3hcp n HIS 730 N -0.97 2.18 -0.21 4.78 -0.00 -1.20 -4.80 115.22 115.01 3hcp n HIS 730 Ca 0.09 0.31 0.12 0.00 0.46 0.00 0.00 57.72 58.70 3hcp n HIS 730 Cb 0.50 -2.52 0.42 0.00 -0.12 0.00 0.00 29.99 28.27 3hcp n HIS 730 CO 0.00 0.00 0.00 1.12 0.46 0.00 0.00 176.34 177.92 3hcp h HIS 731 N 5.83 0.68 0.02 1.57 2.07 -1.97 -1.17 115.15 122.19 3hcp h HIS 731 Ca -0.45 0.02 -0.23 0.00 -2.85 0.00 0.00 60.37 56.86 3hcp h HIS 731 Cb 1.26 -0.22 -0.02 0.00 2.57 0.00 0.00 27.41 31.00 3hcp h HIS 731 CO 0.63 0.28 -1.10 -0.07 -3.07 0.00 0.00 177.93 174.60 3hcp h LEU 732 N 0.60 0.08 -0.50 6.12 3.38 -1.95 -1.84 115.31 121.20 3hcp h LEU 732 Ca 0.39 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.28 3hcp h LEU 732 Cb 0.67 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 3hcp h LEU 732 CO -0.15 1.07 0.32 0.25 0.09 0.00 0.00 178.44 180.02 3hcp h LEU 733 N 0.01 0.54 -0.42 1.67 5.85 -1.60 -1.63 115.31 119.72 3hcp h LEU 733 Ca -0.05 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 3hcp h LEU 733 Cb 1.83 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.71 3hcp h LEU 733 CO 0.14 0.38 0.22 0.40 -0.34 0.00 0.00 178.44 179.24 3hcp h ILE 734 N 0.64 1.16 -0.85 4.05 1.08 -1.23 -2.13 117.51 120.25 3hcp h ILE 734 Ca 0.19 -0.44 0.04 0.00 -0.39 0.00 0.00 64.86 64.26 3hcp h ILE 734 Cb -0.03 0.69 -0.05 0.00 -3.07 0.00 0.00 36.82 34.35 3hcp h ILE 734 CO -0.06 0.17 0.54 -0.61 -0.69 0.00 0.00 178.15 177.50 3hcp h GLN 735 N 0.54 0.99 -0.15 2.37 4.15 -1.21 -0.21 115.11 121.59 3hcp h GLN 735 Ca 0.15 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.51 3hcp h GLN 735 Cb 0.08 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 27.54 3hcp h GLN 735 CO -0.02 0.66 0.10 0.00 -1.93 0.00 0.00 178.83 177.64 3hcp h PHE 737 N 0.21 0.25 -0.73 0.00 0.05 -1.01 -1.62 116.94 114.09 3hcp h PHE 737 Ca 0.06 0.01 -0.03 0.00 3.82 0.00 0.00 57.97 61.82 3hcp h PHE 737 Cb -0.02 -0.09 -0.03 0.00 2.00 0.00 0.00 35.95 37.81 3hcp h PHE 737 CO -0.07 0.16 0.35 0.00 -0.18 0.00 0.00 178.31 178.57 3hcp h ALA 738 N 1.07 0.95 -0.32 2.45 0.00 -0.84 -1.04 119.26 121.53 3hcp h ALA 738 Ca 0.07 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.86 3hcp h ALA 738 Cb -0.03 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 3hcp h ALA 738 CO -0.02 0.51 0.14 -0.44 0.00 0.00 0.00 179.25 179.45 3hcp h ASP 739 N 1.03 0.20 0.14 0.00 3.45 -0.69 -0.17 116.42 120.38 3hcp h ASP 739 Ca 0.25 0.02 -0.10 0.00 0.43 0.00 0.00 57.03 57.63 3hcp h ASP 739 Cb 0.12 -0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 38.86 3hcp h ASP 739 CO -0.03 0.16 -0.35 0.45 -1.57 0.00 0.00 179.24 177.89 3hcp h HIS 740 N 0.31 0.35 -0.16 4.55 3.86 -0.87 -0.85 115.15 122.34 3hcp h HIS 740 Ca 0.14 -0.08 -0.04 0.00 -1.16 0.00 0.00 60.37 59.23 3hcp h HIS 740 Cb 0.07 -0.08 -0.00 0.00 1.06 0.00 0.00 27.41 28.45 3hcp h HIS 740 CO -0.11 0.62 -0.04 0.82 0.86 0.00 0.00 177.93 180.08 3hcp h ILE 741 N 0.26 1.29 -0.71 2.45 2.04 -0.98 -2.07 117.51 119.79 3hcp h ILE 741 Ca 0.03 -1.00 0.00 0.00 1.00 0.00 0.00 64.86 64.89 3hcp h ILE 741 Cb 0.75 1.63 -0.03 0.00 -0.74 0.00 0.00 36.82 38.42 3hcp h ILE 741 CO 0.06 0.30 0.45 -0.07 0.00 0.00 0.00 178.15 178.88 3hcp h LEU 742 N 0.01 0.83 -0.93 1.44 3.38 -0.78 -0.07 115.31 119.18 3hcp h LEU 742 Ca 0.04 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 3hcp h LEU 742 Cb 0.47 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3hcp h LEU 742 CO 0.02 0.62 -0.37 0.07 0.09 0.00 0.00 178.44 178.87 3hcp h LYS 743 N 0.96 0.33 -0.27 1.13 2.10 -1.16 -2.40 116.57 117.26 3hcp h LYS 743 Ca 0.26 -0.14 -0.17 0.00 -2.00 0.00 0.00 60.65 58.59 3hcp h LYS 743 Cb -0.08 -0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 31.24 3hcp h LYS 743 CO -0.05 0.65 -0.53 1.49 -2.00 0.00 0.00 179.45 179.01 3hcp h GLU 744 N 0.28 0.78 -0.87 0.07 4.57 -0.76 -2.89 114.58 115.76 3hcp h GLU 744 Ca 0.03 -0.48 0.12 0.00 -1.18 0.00 0.00 59.36 57.85 3hcp h GLU 744 Cb 0.78 0.05 -0.07 0.00 -0.16 0.00 0.00 28.75 29.35 3hcp h GLU 744 CO 0.06 1.11 0.56 -0.07 -1.18 0.00 0.00 179.01 179.49 3hcp h LEU 745 N 0.60 0.69 -2.43 1.64 3.38 -0.83 0.11 115.31 118.47 3hcp h LEU 745 Ca 0.02 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3hcp h LEU 745 Cb 1.12 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 3hcp h LEU 745 CO 0.11 0.38 -0.02 0.44 0.09 0.00 0.00 178.44 179.44 3hcp h ASP 746 N 0.74 0.00 0.71 -0.43 3.45 -1.22 -2.17 116.42 117.51 3hcp h ASP 746 Ca 0.42 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.88 3hcp h ASP 746 Cb 0.59 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.36 3hcp h ASP 746 CO -0.18 0.02 -0.19 1.41 -1.57 0.00 0.00 179.24 178.72 3hcp n HIS 747 N -3.69 0.00 -1.93 4.55 8.25 0.02 -4.86 115.22 117.56 3hcp n HIS 747 Ca -0.03 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.11 3hcp n HIS 747 Cb 0.11 -0.36 0.02 0.00 1.12 0.00 0.00 29.99 30.88 3hcp n HIS 747 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3hcp s PHE 748 N -2.91 3.16 0.22 4.41 0.40 -0.82 -4.98 117.98 117.46 3hcp s PHE 748 Ca 0.16 1.46 -0.32 0.00 -0.60 0.00 0.00 56.93 57.62 3hcp s PHE 748 Cb 0.19 -2.91 -0.14 0.00 0.51 0.00 0.00 43.02 40.67 3hcp s PHE 748 CO 0.58 -1.00 1.42 -2.30 0.70 0.00 0.00 175.22 174.62 3hcp n PRO 749 N -2.39 2.01 -0.34 0.24 -0.02 -1.26 -4.83 135.00 128.40 3hcp n PRO 749 Ca 0.08 0.72 0.18 0.00 -2.02 0.00 0.00 63.50 62.45 3hcp n PRO 749 Cb 0.53 -2.38 0.39 0.00 -0.02 0.00 0.00 33.50 32.02 3hcp n PRO 749 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3hcp h LEU 750 N 4.43 0.67 -0.67 2.45 5.85 -1.93 0.33 115.31 126.43 3hcp h LEU 750 Ca -0.45 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.41 3hcp h LEU 750 Cb 1.28 0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.34 3hcp h LEU 750 CO 0.77 0.10 0.00 -1.84 -0.34 0.00 0.00 178.44 177.13 3hcp n GLU 751 N -4.88 0.16 0.00 1.25 0.00 -1.26 -2.72 120.64 113.19 3hcp n GLU 751 Ca 0.27 0.42 0.07 0.00 0.00 0.00 0.00 57.16 57.92 3hcp n GLU 751 Cb 0.75 -1.83 -0.06 0.00 0.00 0.00 0.00 31.44 30.30 3hcp n GLU 751 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3hcp n LYS 752 N -2.14 2.38 -0.19 3.44 4.76 0.08 -4.75 118.16 121.73 3hcp n LYS 752 Ca 0.02 -0.16 0.00 0.00 -2.87 0.00 0.00 58.31 55.30 3hcp n LYS 752 Cb 0.20 -1.15 0.10 0.00 -1.84 0.00 0.00 35.03 32.34 3hcp n LYS 752 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 3hcp h ARG 753 N 0.33 0.31 0.00 1.97 2.43 -1.28 -0.95 114.38 117.20 3hcp h ARG 753 Ca 0.00 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3hcp h ARG 753 Cb 0.35 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.83 3hcp h ARG 753 CO 0.00 0.21 -0.00 0.66 -1.51 0.00 0.00 179.97 179.32 3hcp h SER 754 N 0.32 0.00 1.17 -3.80 4.64 -1.85 -2.86 113.55 111.18 3hcp h SER 754 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 3hcp h SER 754 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3hcp h SER 754 CO -0.35 0.00 -0.25 1.21 -0.87 0.00 0.00 176.83 176.58 3hcp n GLU 755 N -3.10 0.24 -1.72 4.77 4.07 -0.42 -4.90 120.64 119.59 3hcp n GLU 755 Ca 0.02 0.14 -0.43 0.00 -0.06 0.00 0.00 57.16 56.83 3hcp n GLU 755 Cb 0.37 -1.72 -0.01 0.00 -0.06 0.00 0.00 31.44 30.01 3hcp n GLU 755 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 3hcp n VAL 756 N -2.11 1.33 -4.23 6.31 0.31 -0.86 -4.77 118.33 114.30 3hcp n VAL 756 Ca 0.05 -0.33 -0.34 0.00 -0.01 0.00 0.00 64.34 63.70 3hcp n VAL 756 Cb 0.42 -1.74 -0.10 0.00 -0.91 0.00 0.00 33.84 31.51 3hcp n VAL 756 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3hcp s VAL 757 N -0.39 4.38 -0.23 2.52 1.01 -0.05 -4.31 120.40 123.33 3hcp s VAL 757 Ca 0.62 -0.19 -0.17 0.00 0.00 0.00 0.00 61.98 62.24 3hcp s VAL 757 Cb -0.55 -2.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.87 3hcp s VAL 757 CO 0.54 0.51 0.45 -0.63 0.00 0.00 0.00 175.10 175.97 3hcp s ILE 758 N 0.03 5.14 -0.43 2.22 1.01 -0.29 -0.45 121.20 128.43 3hcp s ILE 758 Ca 0.03 0.79 -0.08 0.00 0.00 0.00 0.00 60.65 61.39 3hcp s ILE 758 Cb -0.13 -3.78 0.09 0.00 0.01 0.00 0.00 42.46 38.66 3hcp s ILE 758 CO 0.02 0.17 0.26 -0.76 0.00 0.00 0.00 174.94 174.63 3hcp s LEU 759 N 1.79 5.26 0.06 2.97 1.02 -0.01 -1.46 118.68 128.30 3hcp s LEU 759 Ca 0.20 -1.69 -0.31 0.00 0.02 0.00 0.00 54.13 52.35 3hcp s LEU 759 Cb -0.15 -1.95 -0.06 0.00 0.02 0.00 0.00 46.19 44.05 3hcp s LEU 759 CO 0.09 -0.57 1.25 -0.36 0.02 0.00 0.00 176.35 176.78 3hcp s PHE 760 N 1.35 3.35 -0.12 0.29 0.40 -0.36 -0.79 117.98 122.11 3hcp s PHE 760 Ca 0.04 1.20 0.01 0.00 -0.60 0.00 0.00 56.93 57.58 3hcp s PHE 760 Cb -0.24 -3.49 0.02 0.00 0.51 0.00 0.00 43.02 39.83 3hcp s PHE 760 CO 0.00 -1.57 -0.14 0.45 0.70 0.00 0.00 175.22 174.67 3hcp s SER 761 N 1.14 2.44 0.08 1.36 0.15 0.41 -0.95 113.70 118.33 3hcp s SER 761 Ca 0.60 -0.42 0.07 0.00 0.70 0.00 0.00 55.95 56.90 3hcp s SER 761 Cb -0.31 -1.07 -0.03 0.00 -1.71 0.00 0.00 66.02 62.91 3hcp s SER 761 CO 0.29 -0.02 -0.18 0.00 1.20 0.00 0.00 173.24 174.53 3hcp s ALA 762 N 1.22 1.50 0.29 5.45 0.00 -0.95 -2.51 121.76 126.77 3hcp s ALA 762 Ca -0.02 -1.10 -0.30 0.00 0.00 0.00 0.00 51.96 50.55 3hcp s ALA 762 Cb -0.14 -0.19 -0.12 0.00 0.00 0.00 0.00 23.12 22.67 3hcp s ALA 762 CO -0.05 0.28 1.48 0.72 0.00 0.00 0.00 175.76 178.19 3hcp n HIS 763 N 1.31 2.58 -1.38 0.00 8.25 -1.26 -0.54 115.22 124.17 3hcp n HIS 763 Ca -0.20 0.37 -0.30 0.00 -0.26 0.00 0.00 57.72 57.34 3hcp n HIS 763 Cb 0.54 -2.52 0.12 0.00 1.12 0.00 0.00 29.99 29.25 3hcp n HIS 763 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3hcp s SER 764 N 0.25 3.84 0.14 0.41 0.15 -0.09 -4.69 113.70 113.71 3hcp s SER 764 Ca 0.63 1.33 0.09 0.00 0.70 0.00 0.00 55.95 58.70 3hcp s SER 764 Cb -0.55 -2.02 -0.04 0.00 -1.71 0.00 0.00 66.02 61.70 3hcp s SER 764 CO 0.52 -2.39 -0.22 -0.76 1.20 0.00 0.00 173.24 171.60 3hcp s LEU 765 N -6.03 2.36 0.51 3.45 1.43 -1.26 -4.94 118.68 114.20 3hcp s LEU 765 Ca 0.62 -0.77 -0.23 0.00 -1.03 0.00 0.00 54.13 52.73 3hcp s LEU 765 Cb -0.16 -0.97 -0.06 0.00 0.03 0.00 0.00 46.19 45.03 3hcp s LEU 765 CO 0.55 0.06 1.34 -2.84 0.23 0.00 0.00 176.35 175.70 3hcp s PRO 766 N -2.28 3.35 0.56 1.29 0.02 -1.26 -0.80 135.00 135.88 3hcp s PRO 766 Ca 0.12 2.21 0.24 0.00 0.02 0.00 0.00 61.00 63.59 3hcp s PRO 766 Cb -0.09 -2.37 1.61 0.00 0.02 0.00 0.00 34.50 33.67 3hcp s PRO 766 CO 0.06 -1.01 2.21 0.52 -0.33 0.00 0.00 177.00 178.45 3hcp h MET 767 N 1.74 0.00 -0.36 5.54 2.86 -0.83 -1.19 114.93 122.70 3hcp h MET 767 Ca -0.51 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.14 3hcp h MET 767 Cb 1.28 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.93 3hcp h MET 767 CO 0.59 0.00 0.24 0.66 1.06 0.00 0.00 176.91 179.46 3hcp h SER 768 N 0.00 0.41 0.10 1.22 4.64 -1.90 0.14 113.55 118.16 3hcp h SER 768 Ca -0.00 -0.01 -0.14 0.00 -0.47 0.00 0.00 61.79 61.17 3hcp h SER 768 Cb 0.01 -0.10 0.02 0.00 -0.31 0.00 0.00 62.40 62.01 3hcp h SER 768 CO 0.00 0.30 -0.61 0.58 -0.87 0.00 0.00 176.83 176.23 3hcp h VAL 769 N 0.48 1.58 -0.41 0.95 2.07 -1.60 -3.17 116.25 116.15 3hcp h VAL 769 Ca 0.13 -2.48 0.07 0.00 0.82 0.00 0.00 66.70 65.24 3hcp h VAL 769 Cb -0.05 3.25 -0.07 0.00 -1.52 0.00 0.00 31.29 32.90 3hcp h VAL 769 CO -0.03 0.69 0.01 0.58 0.02 0.00 0.00 177.57 178.83 3hcp h VAL 770 N -0.55 0.70 0.00 2.57 2.07 -1.10 -2.56 116.25 117.38 3hcp h VAL 770 Ca -0.11 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.37 3hcp h VAL 770 Cb 1.47 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 3hcp h VAL 770 CO 0.11 0.02 0.00 0.59 0.02 0.00 0.00 177.57 178.31 3hcp n ASN 771 N -5.19 0.05 -0.15 0.57 3.02 0.46 -1.68 115.26 112.33 3hcp n ASN 771 Ca 0.03 0.51 0.12 0.00 -0.03 0.00 0.00 54.58 55.21 3hcp n ASN 771 Cb 0.21 -0.52 0.28 0.00 -0.61 0.00 0.00 39.78 39.14 3hcp n ASN 771 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 3hcp n ARG 772 N -1.55 0.49 0.00 3.52 1.85 -0.97 -4.91 116.66 115.09 3hcp n ARG 772 Ca 0.03 -0.31 0.00 0.00 -1.00 0.00 0.00 57.85 56.58 3hcp n ARG 772 Cb 0.16 -1.49 0.00 0.00 -1.05 0.00 0.00 32.46 30.08 3hcp n ARG 772 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3hcp n GLY 773 N 1.42 1.65 3.68 2.89 0.00 -0.68 -1.78 105.19 112.37 3hcp n GLY 773 Ca 0.09 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.65 3hcp n GLY 773 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hcp n ASP 774 N 0.00 3.26 0.06 1.61 2.03 -1.20 -4.75 116.55 117.56 3hcp n ASP 774 Ca 0.00 1.06 0.09 0.00 0.52 0.00 0.00 54.79 56.47 3hcp n ASP 774 Cb 0.00 -1.44 0.40 0.00 -0.72 0.00 0.00 41.12 39.36 3hcp n ASP 774 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 3hcp n PRO 775 N 3.91 0.09 0.13 -0.67 -0.02 -1.26 -4.32 135.00 132.86 3hcp n PRO 775 Ca 0.17 0.32 -0.13 0.00 -2.02 0.00 0.00 63.50 61.84 3hcp n PRO 775 Cb 0.30 -1.67 -0.07 0.00 -0.02 0.00 0.00 33.50 32.04 3hcp n PRO 775 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 3hcp h TYR 776 N 0.00 -0.33 -1.00 6.00 3.20 -1.65 -2.73 116.97 120.45 3hcp h TYR 776 Ca 0.00 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.94 3hcp h TYR 776 Cb 0.32 0.12 -0.07 0.00 1.54 0.00 0.00 36.73 38.64 3hcp h TYR 776 CO 0.00 -0.20 0.65 -1.35 -1.64 0.00 0.00 178.16 175.62 3hcp h PRO 777 N -0.31 1.13 -0.60 1.82 0.11 -1.88 0.05 132.00 132.32 3hcp h PRO 777 Ca -0.01 -0.07 -0.08 0.00 0.11 0.00 0.00 66.00 65.96 3hcp h PRO 777 Cb 0.27 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.11 3hcp h PRO 777 CO 0.00 0.74 0.08 0.37 -0.21 0.00 0.00 178.00 178.99 3hcp h GLN 778 N 1.16 1.00 -0.32 1.05 -0.00 -1.84 -1.67 115.11 114.49 3hcp h GLN 778 Ca 0.44 -0.28 -0.13 0.00 -0.00 0.00 0.00 58.65 58.68 3hcp h GLN 778 Cb 0.19 -0.11 -0.01 0.00 0.00 0.00 0.00 27.48 27.56 3hcp h GLN 778 CO -0.18 0.95 -0.30 0.93 0.00 0.00 0.00 178.83 180.23 3hcp h GLU 779 N 0.90 0.77 -0.70 1.69 5.08 -1.08 -2.12 114.58 119.13 3hcp h GLU 779 Ca 0.18 -0.40 0.07 0.00 -1.00 0.00 0.00 59.36 58.20 3hcp h GLU 779 Cb 0.45 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.65 3hcp h GLU 779 CO 0.02 1.03 0.38 0.28 -1.00 0.00 0.00 179.01 179.72 3hcp h VAL 780 N 0.54 0.94 -0.80 3.13 2.07 -0.99 -1.65 116.25 119.49 3hcp h VAL 780 Ca 0.05 -0.24 0.03 0.00 0.82 0.00 0.00 66.70 67.36 3hcp h VAL 780 Cb 0.88 0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 3hcp h VAL 780 CO 0.08 0.13 0.53 0.28 0.02 0.00 0.00 177.57 178.60 3hcp h SER 781 N 0.69 0.87 -0.54 0.57 0.02 -1.18 -1.48 113.55 112.50 3hcp h SER 781 Ca 0.32 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 61.18 3hcp h SER 781 Cb 0.23 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 3hcp h SER 781 CO -0.20 0.61 0.06 0.00 -1.14 0.00 0.00 176.83 176.15 3hcp h ALA 782 N 1.52 0.72 -0.22 3.77 0.00 -0.67 -1.55 119.26 122.84 3hcp h ALA 782 Ca 0.31 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3hcp h ALA 782 Cb -0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3hcp h ALA 782 CO -0.09 0.49 0.14 1.15 0.00 0.00 0.00 179.25 180.95 3hcp h THR 783 N 0.80 1.07 -0.43 0.00 2.02 -0.80 -1.94 112.91 113.62 3hcp h THR 783 Ca 0.16 -0.13 0.07 0.00 0.77 0.00 0.00 66.41 67.27 3hcp h THR 783 Cb 0.45 0.77 -0.06 0.00 -1.74 0.00 0.00 68.15 67.58 3hcp h THR 783 CO 0.02 0.06 0.09 0.58 0.37 0.00 0.00 175.52 176.64 3hcp h VAL 784 N 0.28 0.78 -0.63 3.16 2.07 -1.14 -1.31 116.25 119.46 3hcp h VAL 784 Ca 0.08 -0.08 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 3hcp h VAL 784 Cb -0.02 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.26 3hcp h VAL 784 CO -0.02 0.04 0.14 -0.61 0.02 0.00 0.00 177.57 177.14 3hcp h GLN 785 N 0.23 0.99 -0.42 1.57 5.75 -1.01 -1.50 115.11 120.72 3hcp h GLN 785 Ca 0.21 -0.23 -0.13 0.00 -0.15 0.00 0.00 58.65 58.35 3hcp h GLN 785 Cb 0.25 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.66 3hcp h GLN 785 CO -0.27 0.89 -0.25 0.87 -2.65 0.00 0.00 178.83 177.42 3hcp h LYS 786 N 0.94 0.87 -0.29 1.69 1.79 -0.92 -1.23 116.57 119.44 3hcp h LYS 786 Ca 0.20 -0.38 -0.02 0.00 -2.18 0.00 0.00 60.65 58.27 3hcp h LYS 786 Cb 0.36 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.97 3hcp h LYS 786 CO 0.00 1.02 0.10 0.28 -1.08 0.00 0.00 179.45 179.78 3hcp h VAL 787 N 0.75 1.19 -0.44 0.50 2.07 -0.98 -1.81 116.25 117.52 3hcp h VAL 787 Ca 0.09 -0.59 -0.09 0.00 0.82 0.00 0.00 66.70 66.93 3hcp h VAL 787 Cb 0.80 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 3hcp h VAL 787 CO 0.07 0.20 -0.09 0.24 0.02 0.00 0.00 177.57 178.00 3hcp h MET 788 N 0.31 0.79 -0.36 1.57 2.86 -1.13 -0.70 114.93 118.26 3hcp h MET 788 Ca 0.09 -0.25 0.01 0.00 -2.06 0.00 0.00 59.70 57.49 3hcp h MET 788 Cb 0.21 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 3hcp h MET 788 CO -0.01 0.85 0.22 0.93 1.06 0.00 0.00 176.91 179.97 3hcp h GLU 789 N 0.72 0.44 -0.61 1.72 5.08 -1.17 -0.38 114.58 120.37 3hcp h GLU 789 Ca 0.12 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 3hcp h GLU 789 Cb 0.57 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 3hcp h GLU 789 CO 0.04 0.29 0.29 -0.09 -1.00 0.00 0.00 179.01 178.53 3hcp h ARG 790 N 0.45 0.87 0.00 2.33 2.43 -1.01 -1.37 114.38 118.08 3hcp h ARG 790 Ca 0.14 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3hcp h ARG 790 Cb -0.01 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.38 3hcp h ARG 790 CO -0.06 0.68 0.00 1.28 -1.51 0.00 0.00 179.97 180.36 3hcp n LEU 791 N -4.35 0.00 -3.50 3.80 4.77 -0.30 -4.91 117.00 112.52 3hcp n LEU 791 Ca 0.06 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.78 3hcp n LEU 791 Cb 0.14 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.26 3hcp n LEU 791 CO 0.38 0.00 0.07 -0.62 -1.33 0.00 0.00 177.39 175.89 3hcp n GLU 792 N -0.98 -5.30 -3.99 3.23 1.02 -0.52 -2.40 120.64 111.69 3hcp n GLU 792 Ca 0.22 0.70 -0.30 0.00 -0.02 0.00 0.00 57.16 57.76 3hcp n GLU 792 Cb 0.10 -5.57 0.00 0.00 -0.02 0.00 0.00 31.44 25.95 3hcp n GLU 792 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3hcp n TYR 793 N -4.53 -1.95 0.14 -0.32 4.01 -0.25 -4.83 117.16 109.42 3hcp n TYR 793 Ca -0.02 0.83 0.01 0.00 -0.16 0.00 0.00 57.90 58.56 3hcp n TYR 793 Cb 0.56 -3.67 0.31 0.00 -0.31 0.00 0.00 39.34 36.23 3hcp n TYR 793 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hcp s ASN 795 N -6.90 1.68 0.62 0.00 -0.87 -1.26 -4.98 114.94 103.22 3hcp s ASN 795 Ca -0.04 -0.91 -0.12 0.00 -1.57 0.00 0.00 52.86 50.22 3hcp s ASN 795 Cb 0.14 -0.01 -0.04 0.00 -0.02 0.00 0.00 41.25 41.32 3hcp s ASN 795 CO 0.74 -0.28 1.03 -2.16 -2.57 0.00 0.00 177.10 173.86 3hcp s PRO 796 N -3.24 3.53 0.11 -0.60 0.04 -1.26 -4.89 135.00 128.68 3hcp s PRO 796 Ca 0.11 0.84 -0.06 0.00 0.04 0.00 0.00 61.00 61.93 3hcp s PRO 796 Cb -0.00 -2.07 -0.02 0.00 0.04 0.00 0.00 34.50 32.45 3hcp s PRO 796 CO 0.01 -0.63 0.15 1.52 0.04 0.00 0.00 177.00 178.09 3hcp s TYR 797 N -3.03 0.42 0.04 0.56 -0.85 -1.26 -1.14 117.35 112.09 3hcp s TYR 797 Ca 0.57 -0.84 0.02 0.00 -0.52 0.00 0.00 57.07 56.29 3hcp s TYR 797 Cb -0.12 -0.20 -0.02 0.00 0.38 0.00 0.00 41.96 42.00 3hcp s TYR 797 CO 0.50 -0.55 -0.08 1.03 -1.52 0.00 0.00 175.55 174.93 3hcp s ARG 798 N -3.93 0.52 -0.29 -3.49 1.81 -0.54 -4.96 118.95 108.06 3hcp s ARG 798 Ca 0.12 -0.74 -0.16 0.00 -1.72 0.00 0.00 55.73 53.23 3hcp s ARG 798 Cb 0.06 -0.28 -0.03 0.00 -0.45 0.00 0.00 34.95 34.25 3hcp s ARG 798 CO -0.06 0.05 0.40 -1.17 -0.68 0.00 0.00 175.30 173.84 3hcp s LEU 799 N -1.55 4.14 0.33 2.53 2.96 -1.26 -1.22 118.68 124.61 3hcp s LEU 799 Ca -0.10 0.19 0.03 0.00 -0.22 0.00 0.00 54.13 54.04 3hcp s LEU 799 Cb -0.10 -2.46 -0.06 0.00 0.50 0.00 0.00 46.19 44.08 3hcp s LEU 799 CO 0.00 -0.26 0.07 0.68 -1.32 0.00 0.00 176.35 175.53 3hcp s VAL 800 N 2.13 1.04 -0.05 1.68 -7.23 -0.13 -4.73 120.40 113.11 3hcp s VAL 800 Ca 0.16 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.34 3hcp s VAL 800 Cb -0.16 -2.70 0.02 0.00 0.56 0.00 0.00 36.38 34.10 3hcp s VAL 800 CO 0.11 0.00 -0.08 0.26 -0.31 0.00 0.00 175.10 175.08 3hcp s TRP 801 N -3.32 1.02 0.30 2.82 0.52 -0.15 -2.23 118.94 117.89 3hcp s TRP 801 Ca 0.34 -0.33 0.08 0.00 0.02 0.00 0.00 56.10 56.21 3hcp s TRP 801 Cb 0.08 -0.81 -0.03 0.00 -1.15 0.00 0.00 33.47 31.55 3hcp s TRP 801 CO 0.15 -0.22 0.20 1.14 0.02 0.00 0.00 176.95 178.24 3hcp s GLN 802 N 0.79 2.68 -1.37 4.98 -2.07 0.30 -1.05 119.66 123.92 3hcp s GLN 802 Ca -0.13 -1.27 -0.00 0.00 -1.82 0.00 0.00 55.36 52.14 3hcp s GLN 802 Cb -0.15 -2.42 0.00 0.00 -1.09 0.00 0.00 33.01 29.35 3hcp s GLN 802 CO 0.02 0.23 0.01 -1.13 -1.32 0.00 0.00 175.29 173.09 3hcp n SER 803 N -1.22 -4.80 -4.61 12.60 3.41 -1.26 -0.91 113.62 116.83 3hcp n SER 803 Ca -0.05 -0.02 -0.42 0.00 -0.26 0.00 0.00 58.87 58.13 3hcp n SER 803 Cb 0.59 -3.91 0.01 0.00 -0.26 0.00 0.00 64.21 60.64 3hcp n SER 803 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 3hcp n LYS 804 N -2.56 1.39 -4.92 4.33 2.85 -1.26 -4.89 118.16 113.10 3hcp n LYS 804 Ca -0.19 0.50 -0.28 0.00 -1.05 0.00 0.00 58.31 57.29 3hcp n LYS 804 Cb 0.64 -2.05 -0.15 0.00 -0.65 0.00 0.00 35.03 32.83 3hcp n LYS 804 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 3hcp s VAL 805 N -1.25 1.82 0.00 0.58 -7.23 -1.26 -5.09 120.40 107.97 3hcp s VAL 805 Ca 0.63 -1.13 0.00 0.00 -1.81 0.00 0.00 61.98 59.67 3hcp s VAL 805 Cb -0.56 -1.54 0.00 0.00 0.56 0.00 0.00 36.38 34.83 3hcp s VAL 805 CO 0.57 0.38 0.00 0.61 -0.31 0.00 0.00 175.10 176.35 3hcp n GLY 806 N 2.15 -2.49 0.13 2.32 0.00 -1.26 -4.66 105.19 101.38 3hcp n GLY 806 Ca -0.16 -1.62 0.12 0.00 0.00 0.00 0.00 46.02 44.36 3hcp n GLY 806 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hcp n PRO 807 N -0.57 0.41 -1.70 1.61 -0.04 -1.26 -4.98 135.00 128.46 3hcp n PRO 807 Ca 0.00 -0.25 -0.30 0.00 -0.04 0.00 0.00 63.50 62.91 3hcp n PRO 807 Cb 0.00 -1.49 0.07 0.00 -0.04 0.00 0.00 33.50 32.03 3hcp n PRO 807 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3hcp s MET 808 N -2.77 2.55 0.10 0.54 -1.94 -1.26 -4.99 119.30 111.52 3hcp s MET 808 Ca 0.17 0.60 -0.31 0.00 -1.71 0.00 0.00 55.69 54.44 3hcp s MET 808 Cb 0.18 -1.97 -0.07 0.00 2.01 0.00 0.00 34.83 34.98 3hcp s MET 808 CO 0.63 -1.29 1.24 -2.14 -0.01 0.00 0.00 175.02 173.46 3hcp s PRO 809 N -5.23 4.42 0.30 2.03 0.02 -1.26 -4.98 135.00 130.30 3hcp s PRO 809 Ca 0.59 1.86 0.08 0.00 0.02 0.00 0.00 61.00 63.55 3hcp s PRO 809 Cb -0.13 -3.30 -0.06 0.00 0.02 0.00 0.00 34.50 31.03 3hcp s PRO 809 CO 0.53 -0.26 -0.09 -1.58 -0.33 0.00 0.00 177.00 175.27 3hcp s TRP 810 N 0.84 2.13 0.03 6.54 0.52 -1.26 -0.15 118.94 127.59 3hcp s TRP 810 Ca 0.59 -0.58 -0.30 0.00 0.02 0.00 0.00 56.10 55.82 3hcp s TRP 810 Cb -0.32 -1.17 -0.06 0.00 -1.15 0.00 0.00 33.47 30.77 3hcp s TRP 810 CO 0.31 0.44 1.43 -1.17 0.02 0.00 0.00 176.95 177.98 3hcp s LEU 811 N -3.50 4.33 0.00 2.99 2.96 0.02 -4.72 118.68 120.77 3hcp s LEU 811 Ca 0.30 2.20 0.00 0.00 -0.22 0.00 0.00 54.13 56.42 3hcp s LEU 811 Cb 0.02 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 43.15 3hcp s LEU 811 CO 0.13 -0.73 0.03 0.61 -1.32 0.00 0.00 176.35 175.08 3hcp n GLY 812 N 3.66 3.71 3.79 7.98 0.00 -1.26 -4.64 105.19 118.44 3hcp n GLY 812 Ca 0.13 -2.24 -0.33 0.00 0.00 0.00 0.00 46.02 43.58 3hcp n GLY 812 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hcp s PRO 813 N -2.54 3.38 0.39 1.61 0.04 -1.26 -4.85 135.00 131.76 3hcp s PRO 813 Ca 0.03 1.30 -0.25 0.00 0.04 0.00 0.00 61.00 62.12 3hcp s PRO 813 Cb -0.00 -2.03 -0.09 0.00 0.04 0.00 0.00 34.50 32.42 3hcp s PRO 813 CO 0.02 -0.78 1.13 -0.65 0.04 0.00 0.00 177.00 176.76 3hcp s GLN 814 N -3.80 4.12 0.17 4.56 -0.21 -1.26 -0.98 119.66 122.25 3hcp s GLN 814 Ca 0.66 1.73 -0.15 0.00 0.02 0.00 0.00 55.36 57.62 3hcp s GLN 814 Cb -0.17 -2.66 0.06 0.00 1.00 0.00 0.00 33.01 31.23 3hcp s GLN 814 CO 0.32 -0.24 1.82 1.15 -2.12 0.00 0.00 175.29 176.22 3hcp h THR 815 N 2.32 1.08 -0.09 -0.19 2.02 -1.41 -0.96 112.91 115.68 3hcp h THR 815 Ca -0.48 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 66.49 3hcp h THR 815 Cb 1.23 0.44 -0.00 0.00 -1.74 0.00 0.00 68.15 68.08 3hcp h THR 815 CO 0.63 0.11 0.04 -2.24 0.37 0.00 0.00 175.52 174.43 3hcp h ASP 816 N 0.59 0.11 -0.69 4.18 2.03 -1.93 -1.31 116.42 119.40 3hcp h ASP 816 Ca 0.18 -0.11 0.06 0.00 -0.73 0.00 0.00 57.03 56.43 3hcp h ASP 816 Cb -0.02 -0.03 -0.04 0.00 -0.83 0.00 0.00 39.33 38.40 3hcp h ASP 816 CO -0.06 0.19 0.46 1.05 -1.03 0.00 0.00 179.24 179.85 3hcp h GLU 817 N 0.03 0.71 -0.28 4.15 4.11 -1.95 -2.23 114.58 119.12 3hcp h GLU 817 Ca 0.03 -0.04 -0.13 0.00 0.07 0.00 0.00 59.36 59.29 3hcp h GLU 817 Cb 0.11 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 3hcp h GLU 817 CO -0.00 0.47 -0.32 0.77 0.07 0.00 0.00 179.01 180.00 3hcp h SER 818 N 0.73 0.76 0.13 3.06 0.02 -0.82 0.75 113.55 118.18 3hcp h SER 818 Ca 0.30 -0.48 0.01 0.00 -0.84 0.00 0.00 61.79 60.77 3hcp h SER 818 Cb 0.24 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 3hcp h SER 818 CO -0.09 1.09 -0.14 0.40 -1.14 0.00 0.00 176.83 176.95 3hcp h ILE 819 N 0.45 0.68 -0.64 3.27 2.04 -1.00 0.66 117.51 122.97 3hcp h ILE 819 Ca 0.04 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.98 3hcp h ILE 819 Cb 0.89 0.68 -0.06 0.00 -0.74 0.00 0.00 36.82 37.59 3hcp h ILE 819 CO 0.08 0.00 0.31 0.50 0.00 0.00 0.00 178.15 179.03 3hcp h LYS 820 N -0.31 0.54 -0.39 2.37 3.64 -1.35 -1.83 116.57 119.24 3hcp h LYS 820 Ca 0.01 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.28 3hcp h LYS 820 Cb 0.30 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 3hcp h LYS 820 CO -0.05 0.35 -0.05 0.78 -2.27 0.00 0.00 179.45 178.22 3hcp h GLY 821 N 0.55 0.78 0.80 5.01 0.00 -0.44 -1.32 103.07 108.45 3hcp h GLY 821 Ca 0.31 -0.61 0.02 0.00 0.00 0.00 0.00 47.33 47.05 3hcp h GLY 821 CO -0.24 0.56 0.03 1.41 0.00 0.00 0.00 176.54 178.30 3hcp h LEU 822 N 0.53 0.01 -0.36 3.11 3.38 -0.74 -2.12 115.31 119.12 3hcp h LEU 822 Ca 0.10 0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.15 3hcp h LEU 822 Cb 0.54 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.28 3hcp h LEU 822 CO 0.03 0.03 0.09 0.00 0.09 0.00 0.00 178.44 178.68 3hcp h GLU 824 N 0.23 0.00 -0.64 0.00 5.08 -1.10 -2.01 114.58 116.14 3hcp h GLU 824 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 3hcp h GLU 824 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 3hcp h GLU 824 CO -0.20 0.03 0.00 0.54 -1.00 0.00 0.00 179.01 178.38 3hcp n ARG 825 N -3.95 3.29 -0.75 2.33 1.74 -0.66 -4.94 116.66 113.72 3hcp n ARG 825 Ca -0.03 -2.46 0.00 0.00 -0.77 0.00 0.00 57.85 54.60 3hcp n ARG 825 Cb 0.12 -1.78 0.00 0.00 -1.02 0.00 0.00 32.46 29.77 3hcp n ARG 825 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hcp n GLY 826 N 1.08 0.72 3.36 -0.13 0.00 -0.75 -4.99 105.19 104.48 3hcp n GLY 826 Ca 0.22 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.78 3hcp n GLY 826 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hcp s ARG 827 N -0.25 3.47 0.00 1.61 1.81 0.15 -4.86 118.95 120.88 3hcp s ARG 827 Ca 0.00 -2.07 0.16 0.00 -1.72 0.00 0.00 55.73 52.10 3hcp s ARG 827 Cb 0.00 -4.51 0.37 0.00 -0.45 0.00 0.00 34.95 30.36 3hcp s ARG 827 CO 0.00 -1.44 1.29 1.63 -0.68 0.00 0.00 175.30 176.09 3hcp n LYS 828 N 5.02 2.43 -3.86 3.54 5.02 -1.26 -3.31 118.16 125.74 3hcp n LYS 828 Ca 0.10 -2.10 -0.30 0.00 -2.02 0.00 0.00 58.31 53.99 3hcp n LYS 828 Cb 0.46 -1.38 -0.16 0.00 -0.02 0.00 0.00 35.03 33.94 3hcp n LYS 828 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3hcp s ASN 829 N -1.09 3.84 -0.05 4.39 -0.87 -1.26 -0.84 114.94 119.06 3hcp s ASN 829 Ca 0.30 -1.35 0.03 0.00 -1.57 0.00 0.00 52.86 50.27 3hcp s ASN 829 Cb 0.17 -1.05 0.01 0.00 -0.02 0.00 0.00 41.25 40.36 3hcp s ASN 829 CO 0.23 -0.31 -0.13 -0.63 -2.57 0.00 0.00 177.10 173.69 3hcp s ILE 830 N 1.47 1.12 -0.26 0.60 1.01 -0.20 -0.87 121.20 124.07 3hcp s ILE 830 Ca 0.01 -0.50 -0.05 0.00 0.00 0.00 0.00 60.65 60.11 3hcp s ILE 830 Cb -0.18 -1.01 0.00 0.00 0.01 0.00 0.00 42.46 41.28 3hcp s ILE 830 CO -0.12 0.34 0.02 -0.22 0.00 0.00 0.00 174.94 174.97 3hcp s LEU 831 N 0.44 3.44 0.01 2.97 2.96 0.40 -1.43 118.68 127.46 3hcp s LEU 831 Ca -0.10 -0.60 -0.24 0.00 -0.22 0.00 0.00 54.13 52.97 3hcp s LEU 831 Cb -0.13 -1.81 -0.05 0.00 0.50 0.00 0.00 46.19 44.70 3hcp s LEU 831 CO 0.03 -0.12 0.73 -0.76 -1.32 0.00 0.00 176.35 174.91 3hcp s LEU 832 N 1.48 4.41 -0.25 -0.68 1.43 0.49 -0.83 118.68 124.72 3hcp s LEU 832 Ca 0.03 1.35 0.00 0.00 -1.03 0.00 0.00 54.13 54.49 3hcp s LEU 832 Cb -0.16 -3.16 0.07 0.00 0.03 0.00 0.00 46.19 42.97 3hcp s LEU 832 CO -0.00 -0.01 0.00 -0.69 0.23 0.00 0.00 176.35 175.87 3hcp s VAL 833 N 0.17 1.28 -0.31 -1.59 1.01 0.03 -1.15 120.40 119.85 3hcp s VAL 833 Ca 0.38 -1.22 -0.28 0.00 0.00 0.00 0.00 61.98 60.86 3hcp s VAL 833 Cb -0.20 -1.70 -0.02 0.00 0.00 0.00 0.00 36.38 34.46 3hcp s VAL 833 CO 0.21 -0.27 1.89 -2.84 0.00 0.00 0.00 175.10 174.09 3hcp s PRO 834 N 1.48 3.29 0.00 2.72 0.02 -1.26 -0.44 135.00 140.82 3hcp s PRO 834 Ca -0.01 1.56 0.16 0.00 0.02 0.00 0.00 61.00 62.73 3hcp s PRO 834 Cb -0.18 -4.23 0.02 0.00 0.02 0.00 0.00 34.50 30.13 3hcp s PRO 834 CO -0.10 -1.91 0.89 1.51 -0.33 0.00 0.00 177.00 177.06 3hcp n ILE 835 N 7.49 0.00 -0.96 2.83 0.13 -1.04 -4.61 119.36 123.19 3hcp n ILE 835 Ca 0.24 -0.37 0.03 0.00 -1.10 0.00 0.00 62.75 61.56 3hcp n ILE 835 Cb 0.46 1.22 0.04 0.00 -0.84 0.00 0.00 39.64 40.53 3hcp n ILE 835 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3hcp n ALA 836 N 0.08 1.89 -3.10 1.51 0.00 -1.26 -4.99 120.51 114.65 3hcp n ALA 836 Ca 0.07 -1.42 -0.11 0.00 0.00 0.00 0.00 53.44 51.97 3hcp n ALA 836 Cb 0.35 -0.23 -0.09 0.00 0.00 0.00 0.00 19.45 19.48 3hcp n ALA 836 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3hcp s PHE 837 N -1.19 0.01 -0.98 0.00 0.08 -1.26 -4.69 117.98 109.94 3hcp s PHE 837 Ca 0.10 -0.08 0.09 0.00 0.12 0.00 0.00 56.93 57.16 3hcp s PHE 837 Cb 0.09 -0.02 0.17 0.00 -0.57 0.00 0.00 43.02 42.69 3hcp s PHE 837 CO 0.01 -0.32 1.02 0.25 -0.10 0.00 0.00 175.22 176.08 3hcp n THR 838 N 1.33 0.52 -4.13 0.64 -2.24 -1.26 -4.78 114.28 104.36 3hcp n THR 838 Ca -0.22 -0.76 -0.09 0.00 -2.27 0.00 0.00 64.05 60.70 3hcp n THR 838 Cb 0.56 0.83 -0.10 0.00 -2.10 0.00 0.00 70.33 69.52 3hcp n THR 838 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3hcp s SER 839 N -0.90 0.84 0.69 3.42 0.01 -1.26 -1.54 113.70 114.96 3hcp s SER 839 Ca 0.16 -0.96 -0.16 0.00 1.31 0.00 0.00 55.95 56.30 3hcp s SER 839 Cb 0.09 0.13 0.02 0.00 0.21 0.00 0.00 66.02 66.47 3hcp s SER 839 CO 0.13 -0.49 1.19 -1.81 0.41 0.00 0.00 173.24 172.67 3hcp s ASP 840 N -2.85 4.53 0.08 2.44 1.01 -1.26 -4.90 116.67 115.72 3hcp s ASP 840 Ca 0.08 2.31 -0.07 0.00 0.71 0.00 0.00 52.55 55.57 3hcp s ASP 840 Cb 0.05 -2.58 0.03 0.00 1.01 0.00 0.00 42.92 41.42 3hcp s ASP 840 CO -0.06 -2.04 0.36 0.00 0.21 0.00 0.00 175.17 173.64 3hcp n HIS 841 N -2.46 -0.95 0.20 4.23 1.44 -1.26 -4.24 115.22 112.17 3hcp n HIS 841 Ca 0.13 -0.49 0.07 0.00 -2.01 0.00 0.00 57.72 55.42 3hcp n HIS 841 Cb 0.50 0.24 0.57 0.00 0.12 0.00 0.00 29.99 31.42 3hcp n HIS 841 CO 0.00 0.00 0.00 0.97 -2.81 0.00 0.00 176.34 174.50 3hcp h ILE 842 N 1.35 1.04 0.00 0.61 6.09 -1.95 -0.91 117.51 123.75 3hcp h ILE 842 Ca -0.10 -0.14 0.00 0.00 -1.37 0.00 0.00 64.86 63.25 3hcp h ILE 842 Cb 0.43 0.94 0.00 0.00 0.47 0.00 0.00 36.82 38.66 3hcp h ILE 842 CO 0.13 0.05 -0.17 -0.33 -3.07 0.00 0.00 178.15 174.77 3hcp h GLU 843 N 0.13 0.00 0.00 2.19 3.07 -1.96 0.01 114.58 118.02 3hcp h GLU 843 Ca 0.03 0.00 -0.18 0.00 -0.50 0.00 0.00 59.36 58.72 3hcp h GLU 843 Cb 0.04 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 27.92 3hcp h GLU 843 CO -0.00 0.00 -0.97 1.79 -1.40 0.00 0.00 179.01 178.42 3hcp h THR 844 N 0.00 1.11 -0.10 1.13 1.35 -1.81 -1.72 112.91 112.87 3hcp h THR 844 Ca 0.00 -2.21 -0.14 0.00 -0.55 0.00 0.00 66.41 63.50 3hcp h THR 844 Cb 0.83 2.48 -0.01 0.00 -1.73 0.00 0.00 68.15 69.72 3hcp h THR 844 CO 0.00 0.38 -0.57 -0.07 -0.25 0.00 0.00 175.52 175.01 3hcp h LEU 845 N -1.00 0.33 0.00 3.87 3.38 -1.25 0.22 115.31 120.87 3hcp h LEU 845 Ca -0.27 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3hcp h LEU 845 Cb 1.23 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.89 3hcp h LEU 845 CO -0.16 0.83 -0.51 0.00 0.09 0.00 0.00 178.44 178.69 3hcp n TYR 846 N -3.91 0.00 0.32 1.13 9.36 -0.05 -4.03 117.16 119.98 3hcp n TYR 846 Ca -0.02 0.00 -0.16 0.00 3.32 0.00 0.00 57.90 61.03 3hcp n TYR 846 Cb 0.60 -0.26 -0.08 0.00 -0.63 0.00 0.00 39.34 38.97 3hcp n TYR 846 CO 0.00 0.00 0.00 1.49 0.22 0.00 0.00 176.86 178.57 3hcp h GLU 847 N -0.51 -0.75 -0.04 2.98 4.81 -1.50 0.65 114.58 120.21 3hcp h GLU 847 Ca 0.00 0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 3hcp h GLU 847 Cb 0.51 0.17 -0.00 0.00 0.63 0.00 0.00 28.75 30.06 3hcp h GLU 847 CO 0.00 -0.46 -0.05 -0.07 -0.73 0.00 0.00 179.01 177.70 3hcp h LEU 848 N -0.89 0.11 -0.41 1.64 3.38 -1.27 0.39 115.31 118.25 3hcp h LEU 848 Ca -0.08 -0.50 -0.18 0.00 0.09 0.00 0.00 57.88 57.21 3hcp h LEU 848 Cb 0.64 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3hcp h LEU 848 CO 0.13 0.59 -0.78 0.44 0.09 0.00 0.00 178.44 178.91 3hcp h ASP 849 N -0.37 0.23 0.00 -0.43 3.32 -0.99 -1.02 116.42 117.16 3hcp h ASP 849 Ca 0.01 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.89 3hcp h ASP 849 Cb 0.56 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.04 3hcp h ASP 849 CO 0.01 0.92 -0.46 -0.38 -1.72 0.00 0.00 179.24 177.62 3hcp n ILE 850 N -3.72 0.87 0.01 0.35 5.41 0.13 -3.42 119.36 119.00 3hcp n ILE 850 Ca -0.03 0.27 -0.11 0.00 1.00 0.00 0.00 62.75 63.88 3hcp n ILE 850 Cb 0.74 -1.85 -0.06 0.00 -0.71 0.00 0.00 39.64 37.76 3hcp n ILE 850 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 3hcp h GLU 851 N -0.46 0.08 0.10 0.38 4.81 -1.07 -2.00 114.58 116.42 3hcp h GLU 851 Ca 0.00 -0.01 -0.27 0.00 -0.13 0.00 0.00 59.36 58.95 3hcp h GLU 851 Cb 0.46 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 3hcp h GLU 851 CO 0.00 0.08 -1.41 1.88 -0.73 0.00 0.00 179.01 178.83 3hcp h TYR 852 N 0.06 0.38 0.15 0.92 0.05 -0.97 -1.66 116.97 115.90 3hcp h TYR 852 Ca 0.02 -0.28 -0.31 0.00 0.05 0.00 0.00 58.73 58.22 3hcp h TYR 852 Cb 0.02 -0.02 0.01 0.00 1.01 0.00 0.00 36.73 37.75 3hcp h TYR 852 CO -0.07 1.55 -1.49 0.77 -1.05 0.00 0.00 178.16 177.88 3hcp h SER 853 N -0.37 0.50 0.09 3.88 0.02 -1.27 0.17 113.55 116.57 3hcp h SER 853 Ca -0.31 -0.63 -0.34 0.00 -0.84 0.00 0.00 61.79 59.67 3hcp h SER 853 Cb 1.71 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 64.06 3hcp h SER 853 CO 0.03 1.51 -1.87 0.00 -1.14 0.00 0.00 176.83 175.36 3hcp n GLN 854 N -3.53 0.71 -0.01 3.45 6.02 -0.81 -4.38 117.38 118.82 3hcp n GLN 854 Ca -0.16 0.33 -0.01 0.00 -0.01 0.00 0.00 57.00 57.15 3hcp n GLN 854 Cb 1.05 -1.70 -0.00 0.00 1.02 0.00 0.00 30.24 30.61 3hcp n GLN 854 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3hcp n VAL 855 N -3.70 0.24 0.07 5.09 0.31 -0.85 -4.10 118.33 115.39 3hcp n VAL 855 Ca -0.33 0.45 -0.11 0.00 -0.01 0.00 0.00 64.34 64.33 3hcp n VAL 855 Cb 0.96 -1.65 -0.05 0.00 -0.91 0.00 0.00 33.84 32.19 3hcp n VAL 855 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 3hcp h LEU 856 N -0.17 -0.35 -1.13 7.52 5.85 -1.34 -1.95 115.31 123.74 3hcp h LEU 856 Ca 0.00 0.05 0.10 0.00 0.84 0.00 0.00 57.88 58.87 3hcp h LEU 856 Cb 0.11 0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.21 3hcp h LEU 856 CO 0.00 -0.18 0.60 0.00 -0.34 0.00 0.00 178.44 178.52 3hcp h ALA 857 N 0.70 1.59 -0.18 1.25 0.00 -0.85 -0.47 119.26 121.30 3hcp h ALA 857 Ca 0.03 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 3hcp h ALA 857 Cb 0.27 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3hcp h ALA 857 CO -0.10 0.22 -0.15 -0.22 0.00 0.00 0.00 179.25 178.99 3hcp h LYS 858 N 0.94 0.42 -0.83 0.00 3.11 -1.65 -0.88 116.57 117.68 3hcp h LYS 858 Ca 0.44 -0.21 0.12 0.00 -2.81 0.00 0.00 60.65 58.19 3hcp h LYS 858 Cb 0.41 0.00 -0.06 0.00 -1.00 0.00 0.00 32.23 31.59 3hcp h LYS 858 CO -0.20 0.77 0.54 1.49 -2.81 0.00 0.00 179.45 179.24 3hcp h GLU 859 N 0.07 0.65 -0.01 1.90 4.81 -0.63 -2.68 114.58 118.71 3hcp h GLU 859 Ca 0.03 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3hcp h GLU 859 Cb 0.68 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.91 3hcp h GLU 859 CO 0.04 0.43 -0.08 0.00 -0.73 0.00 0.00 179.01 178.67 3hcp n GLY 861 N 1.21 0.31 3.71 0.00 0.00 -0.96 -4.70 105.19 104.76 3hcp n GLY 861 Ca 0.17 -0.81 -0.36 0.00 0.00 0.00 0.00 46.02 45.02 3hcp n GLY 861 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3hcp n VAL 862 N -3.96 4.26 -0.11 1.61 0.24 -0.38 -4.96 118.33 115.04 3hcp n VAL 862 Ca -0.02 -0.44 -0.23 0.00 -2.04 0.00 0.00 64.34 61.60 3hcp n VAL 862 Cb 0.52 -1.39 -0.11 0.00 -1.47 0.00 0.00 33.84 31.38 3hcp n VAL 862 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3hcp n GLU 863 N -2.07 0.57 -3.68 7.34 1.02 -0.02 -4.91 120.64 118.90 3hcp n GLU 863 Ca 0.15 0.52 -0.14 0.00 -0.02 0.00 0.00 57.16 57.67 3hcp n GLU 863 Cb 0.48 -1.70 -0.14 0.00 -0.02 0.00 0.00 31.44 30.07 3hcp n GLU 863 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3hcp s ASN 864 N -6.98 0.34 -0.07 1.62 -0.87 -0.68 -5.03 114.94 103.27 3hcp s ASN 864 Ca -0.31 0.52 0.03 0.00 -1.57 0.00 0.00 52.86 51.53 3hcp s ASN 864 Cb 0.08 0.54 0.01 0.00 -0.02 0.00 0.00 41.25 41.86 3hcp s ASN 864 CO 0.57 -0.23 -0.16 -0.51 -2.57 0.00 0.00 177.10 174.20 3hcp s ILE 865 N 2.19 1.45 0.15 0.60 2.07 -1.26 -1.04 121.20 125.36 3hcp s ILE 865 Ca -0.00 -0.67 0.02 0.00 -1.41 0.00 0.00 60.65 58.59 3hcp s ILE 865 Cb -0.12 -1.29 -0.05 0.00 0.13 0.00 0.00 42.46 41.14 3hcp s ILE 865 CO -0.08 0.42 -0.04 -0.13 -1.91 0.00 0.00 174.94 173.21 3hcp s ARG 866 N 0.51 1.04 -0.07 3.50 0.52 -0.52 -5.00 118.95 118.94 3hcp s ARG 866 Ca -0.15 -1.48 0.03 0.00 -0.52 0.00 0.00 55.73 53.61 3hcp s ARG 866 Cb -0.16 -0.35 0.01 0.00 0.52 0.00 0.00 34.95 34.96 3hcp s ARG 866 CO 0.05 -0.06 -0.16 0.50 0.02 0.00 0.00 175.30 175.65 3hcp s ARG 867 N -3.85 2.11 0.44 3.54 3.52 -1.26 -0.38 118.95 123.06 3hcp s ARG 867 Ca 0.20 -0.58 -0.25 0.00 -0.13 0.00 0.00 55.73 54.96 3hcp s ARG 867 Cb 0.05 -1.69 -0.08 0.00 -1.56 0.00 0.00 34.95 31.67 3hcp s ARG 867 CO 0.01 0.11 1.39 0.00 -0.81 0.00 0.00 175.30 176.00 3hcp s ALA 868 N 0.47 3.22 0.33 6.12 0.00 -0.30 -4.93 121.76 126.68 3hcp s ALA 868 Ca -0.14 1.40 -0.29 0.00 0.00 0.00 0.00 51.96 52.93 3hcp s ALA 868 Cb -0.16 -3.56 -0.11 0.00 0.00 0.00 0.00 23.12 19.29 3hcp s ALA 868 CO 0.05 -1.11 1.45 -2.00 0.00 0.00 0.00 175.76 174.16 3hcp s GLU 869 N -2.42 4.20 0.86 0.00 2.12 -1.26 -4.74 118.70 117.45 3hcp s GLU 869 Ca 0.60 2.44 -0.10 0.00 0.36 0.00 0.00 54.97 58.27 3hcp s GLU 869 Cb -0.42 -3.03 0.11 0.00 0.26 0.00 0.00 34.13 31.05 3hcp s GLU 869 CO 0.54 -0.45 1.12 -1.12 -0.54 0.00 0.00 175.26 174.81 3hcp s SER 870 N -0.02 3.54 0.17 -1.70 0.01 -1.26 -4.93 113.70 109.51 3hcp s SER 870 Ca 0.55 2.02 -0.10 0.00 1.31 0.00 0.00 55.95 59.73 3hcp s SER 870 Cb -0.44 -2.54 0.04 0.00 0.21 0.00 0.00 66.02 63.29 3hcp s SER 870 CO 0.54 -2.68 1.61 -0.07 0.41 0.00 0.00 173.24 173.05 3hcp h LEU 871 N -1.58 1.05 0.00 2.44 3.38 -1.83 -3.44 115.31 115.32 3hcp h LEU 871 Ca -0.44 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.20 3hcp h LEU 871 Cb 1.25 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.72 3hcp h LEU 871 CO 0.46 1.14 0.00 0.59 0.09 0.00 0.00 178.44 180.72 3hcp n ASN 872 N -4.16 0.00 -0.77 -0.43 3.02 -0.59 -1.37 115.26 110.96 3hcp n ASN 872 Ca 0.02 0.00 0.09 0.00 -0.03 0.00 0.00 54.58 54.66 3hcp n ASN 872 Cb 0.39 0.00 0.28 0.00 -0.61 0.00 0.00 39.78 39.84 3hcp n ASN 872 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hcp n GLY 873 N 0.00 0.86 3.68 7.41 0.00 -1.26 -4.77 105.19 111.11 3hcp n GLY 873 Ca 0.00 -0.50 -0.49 0.00 0.00 0.00 0.00 46.02 45.03 3hcp n GLY 873 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3hcp n ASN 874 N 0.72 3.42 0.21 1.61 4.05 -0.47 -4.85 115.26 119.96 3hcp n ASN 874 Ca 0.16 0.97 0.06 0.00 0.45 0.00 0.00 54.58 56.22 3hcp n ASN 874 Cb 0.40 -1.37 0.54 0.00 1.23 0.00 0.00 39.78 40.58 3hcp n ASN 874 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 3hcp h PRO 875 N 9.26 0.06 -0.05 1.20 0.13 -1.92 0.11 132.00 140.77 3hcp h PRO 875 Ca -0.48 -0.01 0.02 0.00 -0.87 0.00 0.00 66.00 64.66 3hcp h PRO 875 Cb 1.27 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 3hcp h PRO 875 CO 0.95 0.14 0.04 1.25 -0.23 0.00 0.00 178.00 180.15 3hcp h LEU 876 N 0.06 0.00 -0.08 1.56 5.85 -1.98 -1.86 115.31 118.85 3hcp h LEU 876 Ca 0.01 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.68 3hcp h LEU 876 Cb 0.18 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.21 3hcp h LEU 876 CO 0.01 0.00 -0.15 0.15 -0.34 0.00 0.00 178.44 178.11 3hcp h PHE 877 N 0.00 0.30 0.00 1.25 3.04 -1.31 -1.54 116.94 118.68 3hcp h PHE 877 Ca 0.03 -0.11 -0.03 0.00 3.98 0.00 0.00 57.97 61.84 3hcp h PHE 877 Cb 0.11 -0.06 -0.00 0.00 2.56 0.00 0.00 35.95 38.56 3hcp h PHE 877 CO 0.00 0.75 -0.16 0.66 -2.02 0.00 0.00 178.31 177.54 3hcp h SER 878 N -0.24 0.00 -0.78 0.41 4.64 -1.45 -0.83 113.55 115.31 3hcp h SER 878 Ca 0.00 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 3hcp h SER 878 Cb 0.73 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.78 3hcp h SER 878 CO 0.03 0.16 0.51 0.50 -0.87 0.00 0.00 176.83 177.16 3hcp h LYS 879 N 0.00 1.03 -0.47 4.77 3.64 -1.26 -1.42 116.57 122.86 3hcp h LYS 879 Ca -0.00 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 3hcp h LYS 879 Cb 0.29 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 3hcp h LYS 879 CO 0.02 0.69 0.28 0.00 -2.27 0.00 0.00 179.45 178.18 3hcp h ALA 880 N 1.28 0.60 -0.33 5.00 0.00 -0.13 -0.25 119.26 125.43 3hcp h ALA 880 Ca 0.29 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.14 3hcp h ALA 880 Cb -0.11 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 3hcp h ALA 880 CO -0.06 0.09 0.20 -0.07 0.00 0.00 0.00 179.25 179.41 3hcp h LEU 881 N 0.63 0.34 -0.72 0.00 3.38 -1.02 -1.03 115.31 116.88 3hcp h LEU 881 Ca 0.17 -0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.01 3hcp h LEU 881 Cb -0.01 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3hcp h LEU 881 CO -0.03 0.24 -0.38 0.00 0.09 0.00 0.00 178.44 178.36 3hcp h ALA 882 N 1.13 0.89 -0.23 1.53 0.00 -1.09 -2.00 119.26 119.50 3hcp h ALA 882 Ca 0.12 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 3hcp h ALA 882 Cb -0.02 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3hcp h ALA 882 CO -0.05 0.63 0.10 0.22 0.00 0.00 0.00 179.25 180.16 3hcp h ASP 883 N 0.46 0.30 -0.15 0.00 3.58 -0.78 0.78 116.42 120.61 3hcp h ASP 883 Ca 0.04 -0.14 0.04 0.00 0.42 0.00 0.00 57.03 57.39 3hcp h ASP 883 Cb 0.86 -0.08 -0.04 0.00 1.72 0.00 0.00 39.33 41.79 3hcp h ASP 883 CO 0.07 0.36 -0.10 -0.07 -2.88 0.00 0.00 179.24 176.62 3hcp h LEU 884 N 0.23 -0.34 -0.37 2.28 3.38 -1.04 0.46 115.31 119.91 3hcp h LEU 884 Ca 0.08 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 3hcp h LEU 884 Cb 0.14 0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 3hcp h LEU 884 CO -0.01 -0.14 0.21 0.58 0.09 0.00 0.00 178.44 179.17 3hcp h VAL 885 N -0.11 1.14 -0.15 1.22 2.07 -1.21 -1.00 116.25 118.21 3hcp h VAL 885 Ca 0.09 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 3hcp h VAL 885 Cb 0.24 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 3hcp h VAL 885 CO -0.22 0.14 0.09 -0.74 0.02 0.00 0.00 177.57 176.86 3hcp h HIS 886 N 0.48 0.20 -1.00 1.57 -0.00 -0.67 -0.96 115.15 114.77 3hcp h HIS 886 Ca 0.13 -0.00 0.01 0.00 -0.00 0.00 0.00 60.37 60.51 3hcp h HIS 886 Cb 0.04 -0.07 -0.05 0.00 -0.00 0.00 0.00 27.41 27.33 3hcp h HIS 886 CO -0.03 0.18 0.66 0.77 -0.00 0.00 0.00 177.93 179.51 3hcp h SER 887 N 0.16 1.14 -0.20 3.26 0.02 -0.79 -0.63 113.55 116.51 3hcp h SER 887 Ca 0.05 -0.03 0.02 0.00 -0.84 0.00 0.00 61.79 60.99 3hcp h SER 887 Cb 0.04 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.28 3hcp h SER 887 CO -0.01 0.82 0.08 -0.74 -1.14 0.00 0.00 176.83 175.84 3hcp h HIS 888 N 1.35 0.15 -0.04 3.45 6.17 -0.84 -0.04 115.15 125.36 3hcp h HIS 888 Ca 0.37 0.01 -0.00 0.00 0.71 0.00 0.00 60.37 61.46 3hcp h HIS 888 Cb -0.15 -0.04 -0.00 0.00 2.52 0.00 0.00 27.41 29.74 3hcp h HIS 888 CO -0.00 0.08 0.02 0.82 0.71 0.00 0.00 177.93 179.56 3hcp h ILE 889 N 0.18 1.04 -0.39 6.26 2.04 -0.93 -2.58 117.51 123.14 3hcp h ILE 889 Ca 0.08 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 3hcp h ILE 889 Cb 0.04 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 3hcp h ILE 889 CO -0.08 0.03 0.20 1.56 0.00 0.00 0.00 178.15 179.87 3hcp h GLN 890 N 0.01 0.54 0.00 2.37 4.20 -0.97 -2.71 115.11 118.55 3hcp h GLN 890 Ca 0.01 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.67 3hcp h GLN 890 Cb 0.04 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.71 3hcp h GLN 890 CO -0.00 0.41 -0.01 0.66 -0.67 0.00 0.00 178.83 179.22 3hcp h SER 891 N 0.54 0.00 -0.10 1.46 4.64 -0.87 -3.48 113.55 115.75 3hcp h SER 891 Ca 0.14 -0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.41 3hcp h SER 891 Cb 0.05 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.12 3hcp h SER 891 CO -0.02 0.00 -0.04 0.59 -0.87 0.00 0.00 176.83 176.49 3hcp n ASN 892 N -2.55 -5.66 -4.76 4.97 4.13 -0.98 -4.97 115.26 105.43 3hcp n ASN 892 Ca 0.05 0.05 -0.38 0.00 1.68 0.00 0.00 54.58 55.98 3hcp n ASN 892 Cb 0.47 -3.34 0.00 0.00 -1.54 0.00 0.00 39.78 35.37 3hcp n ASN 892 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 3hcp s GLU 893 N -2.00 3.67 0.07 3.52 2.02 -1.24 -4.94 118.70 119.78 3hcp s GLU 893 Ca 0.00 1.97 0.20 0.00 0.02 0.00 0.00 54.97 57.16 3hcp s GLU 893 Cb 0.00 -2.46 -0.14 0.00 0.10 0.00 0.00 34.13 31.63 3hcp s GLU 893 CO 0.00 -0.68 0.76 1.28 0.02 0.00 0.00 175.26 176.64 3hcp n LEU 894 N -0.46 0.59 -3.66 1.80 4.77 -1.26 -4.74 117.00 114.04 3hcp n LEU 894 Ca 0.07 0.25 0.01 0.00 -0.03 0.00 0.00 56.01 56.31 3hcp n LEU 894 Cb 0.46 0.05 -0.00 0.00 -2.33 0.00 0.00 43.42 41.60 3hcp n LEU 894 CO 0.51 0.03 1.03 0.00 -1.33 0.00 0.00 177.39 177.62 3hcp s SER 896 N -3.03 4.68 0.32 0.00 1.04 -1.26 -4.93 113.70 110.51 3hcp s SER 896 Ca 0.15 1.74 0.03 0.00 0.48 0.00 0.00 55.95 58.34 3hcp s SER 896 Cb 0.04 -2.48 0.62 0.00 0.10 0.00 0.00 66.02 64.29 3hcp s SER 896 CO -0.03 -1.91 1.92 0.50 0.98 0.00 0.00 173.24 174.70 3hcp h LYS 897 N -1.04 0.89 -0.73 4.02 1.63 -2.02 -2.87 116.57 116.46 3hcp h LYS 897 Ca -0.44 -0.05 0.06 0.00 -0.85 0.00 0.00 60.65 59.37 3hcp h LYS 897 Cb 1.23 -0.20 -0.05 0.00 -0.60 0.00 0.00 32.23 32.61 3hcp h LYS 897 CO 0.53 0.59 0.48 1.96 -3.45 0.00 0.00 179.45 179.56 3hcp h GLN 898 N 0.92 0.74 0.00 1.90 1.08 -1.94 -1.05 115.11 116.76 3hcp h GLN 898 Ca 0.38 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.52 3hcp h GLN 898 Cb 0.27 -0.17 -0.00 0.00 -0.05 0.00 0.00 27.48 27.53 3hcp h GLN 898 CO -0.14 0.49 -0.04 1.25 -0.95 0.00 0.00 178.83 179.44 3hcp h LEU 899 N 0.77 0.00 0.00 1.46 5.85 -1.88 -2.58 115.31 118.93 3hcp h LEU 899 Ca 0.31 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.03 3hcp h LEU 899 Cb 0.25 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.28 3hcp h LEU 899 CO -0.10 0.04 0.00 0.35 -0.34 0.00 0.00 178.44 178.38 3hcp n THR 900 N -3.63 0.23 -4.08 1.05 -2.24 -0.40 -4.46 114.28 100.74 3hcp n THR 900 Ca -0.03 0.06 -0.33 0.00 -2.27 0.00 0.00 64.05 61.49 3hcp n THR 900 Cb 0.13 -0.68 -0.15 0.00 -2.10 0.00 0.00 70.33 67.53 3hcp n THR 900 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3hcp s LEU 901 N -2.47 2.90 0.62 3.22 2.96 -0.97 -5.12 118.68 119.82 3hcp s LEU 901 Ca 0.24 -1.07 -0.10 0.00 -0.22 0.00 0.00 54.13 52.99 3hcp s LEU 901 Cb 0.16 -1.53 -0.02 0.00 0.50 0.00 0.00 46.19 45.30 3hcp s LEU 901 CO 0.34 -0.11 1.00 -0.44 -1.32 0.00 0.00 176.35 175.81 3hcp s SER 902 N 1.19 5.94 0.31 3.68 0.01 -1.26 -4.98 113.70 118.58 3hcp s SER 902 Ca -0.03 1.18 -0.29 0.00 1.31 0.00 0.00 55.95 58.12 3hcp s SER 902 Cb -0.17 -2.19 -0.13 0.00 0.21 0.00 0.00 66.02 63.74 3hcp s SER 902 CO -0.08 -0.98 1.24 0.00 0.41 0.00 0.00 173.24 173.82 3hcp h PRO 904 N 2.67 0.20 -0.21 0.00 0.11 -1.85 -1.86 132.00 131.06 3hcp h PRO 904 Ca -0.44 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.57 3hcp h PRO 904 Cb 1.30 -0.04 -0.05 0.00 0.11 0.00 0.00 31.00 32.31 3hcp h PRO 904 CO 0.64 0.13 -0.15 1.28 -0.21 0.00 0.00 178.00 179.70 3hcp n LEU 905 N -4.40 3.52 -4.68 2.35 4.77 -0.73 -5.03 117.00 112.80 3hcp n LEU 905 Ca 0.18 -3.58 -0.45 0.00 -0.03 0.00 0.00 56.01 52.13 3hcp n LEU 905 Cb 0.78 -0.57 -0.04 0.00 -2.33 0.00 0.00 43.42 41.27 3hcp n LEU 905 CO 0.35 1.11 1.24 0.00 -1.33 0.00 0.00 177.39 178.75 3hcp n VAL 907 N 3.51 1.45 -3.56 0.00 0.24 -1.26 -4.99 118.33 113.71 3hcp n VAL 907 Ca 0.16 -1.59 -0.41 0.00 -2.04 0.00 0.00 64.34 60.47 3hcp n VAL 907 Cb 0.30 0.14 -0.11 0.00 -1.47 0.00 0.00 33.84 32.71 3hcp n VAL 907 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 3hcp s ASN 908 N -1.85 5.84 0.56 -1.34 3.84 -1.26 -4.98 114.94 115.76 3hcp s ASN 908 Ca 0.17 -0.78 0.28 0.00 0.21 0.00 0.00 52.86 52.75 3hcp s ASN 908 Cb 0.15 -2.07 1.67 0.00 -0.55 0.00 0.00 41.25 40.44 3hcp s ASN 908 CO 0.03 -0.34 2.18 -0.65 -2.79 0.00 0.00 177.10 175.53 3hcp h PRO 909 N 8.48 0.00 0.00 0.43 0.11 -2.02 -2.59 132.00 136.40 3hcp h PRO 909 Ca -0.28 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.76 3hcp h PRO 909 Cb 1.13 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3hcp h PRO 909 CO 0.67 0.05 -0.31 0.28 -0.21 0.00 0.00 178.00 178.47 3hcp h VAL 910 N 0.00 0.96 -0.59 3.15 2.07 -2.01 -3.28 116.25 116.55 3hcp h VAL 910 Ca -0.00 -1.19 -0.01 0.00 0.82 0.00 0.00 66.70 66.32 3hcp h VAL 910 Cb 0.13 1.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.57 3hcp h VAL 910 CO 0.01 0.31 0.33 0.00 0.02 0.00 0.00 177.57 178.23 3hcp h ARG 912 N 0.79 1.07 -0.63 0.00 2.43 -1.76 -0.90 114.38 115.39 3hcp h ARG 912 Ca 0.21 -0.18 -0.04 0.00 -0.81 0.00 0.00 59.98 59.15 3hcp h ARG 912 Cb 0.03 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.37 3hcp h ARG 912 CO -0.03 0.87 0.24 0.93 -1.51 0.00 0.00 179.97 180.46 3hcp h GLU 913 N 1.05 0.95 -0.28 0.20 4.39 -1.42 -1.73 114.58 117.74 3hcp h GLU 913 Ca 0.24 -0.18 -0.03 0.00 0.34 0.00 0.00 59.36 59.74 3hcp h GLU 913 Cb 0.20 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 3hcp h GLU 913 CO -0.02 0.81 0.08 1.15 -1.16 0.00 0.00 179.01 179.87 3hcp h THR 914 N 0.89 1.21 -0.23 1.13 2.02 -0.87 0.92 112.91 117.97 3hcp h THR 914 Ca 0.21 -0.68 0.04 0.00 0.77 0.00 0.00 66.41 66.75 3hcp h THR 914 Cb 0.23 1.12 -0.04 0.00 -1.74 0.00 0.00 68.15 67.73 3hcp h THR 914 CO -0.01 0.22 -0.03 0.50 0.37 0.00 0.00 175.52 176.57 3hcp h LYS 915 N 0.29 0.03 -0.56 6.66 3.64 -1.03 -2.28 116.57 123.33 3hcp h LYS 915 Ca 0.09 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.43 3hcp h LYS 915 Cb 0.27 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 3hcp h LYS 915 CO -0.00 0.02 0.19 0.77 -2.27 0.00 0.00 179.45 178.16 3hcp h SER 916 N 0.03 0.75 -0.64 4.20 0.02 -1.19 -0.56 113.55 116.17 3hcp h SER 916 Ca 0.11 -0.11 0.10 0.00 -0.84 0.00 0.00 61.79 61.06 3hcp h SER 916 Cb 0.16 -0.19 -0.08 0.00 0.14 0.00 0.00 62.40 62.42 3hcp h SER 916 CO -0.21 0.70 0.23 0.15 -1.14 0.00 0.00 176.83 176.56 3hcp h PHE 917 N 0.80 0.40 0.08 3.45 3.57 -0.25 -1.22 116.94 123.77 3hcp h PHE 917 Ca 0.19 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.57 3hcp h PHE 917 Cb 0.20 -0.08 0.02 0.00 2.79 0.00 0.00 35.95 38.88 3hcp h PHE 917 CO 0.01 0.08 -0.65 0.74 -2.23 0.00 0.00 178.31 176.27 3hcp h PHE 918 N 0.40 0.50 0.00 0.41 -1.00 -1.01 -3.32 116.94 112.92 3hcp h PHE 918 Ca 0.33 -0.33 -0.02 0.00 2.81 0.00 0.00 57.97 60.76 3hcp h PHE 918 Cb 0.43 -0.03 -0.00 0.00 3.61 0.00 0.00 35.95 39.96 3hcp h PHE 918 CO -0.18 1.21 -0.11 1.79 -1.61 0.00 0.00 178.31 179.41 3hcp h THR 919 N -0.36 0.43 -0.08 -1.55 1.35 -0.97 -2.89 112.91 108.84 3hcp h THR 919 Ca -0.10 -0.59 0.00 0.00 -0.55 0.00 0.00 66.41 65.17 3hcp h THR 919 Cb 1.45 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 69.28 3hcp h THR 919 CO 0.12 0.11 0.00 -1.20 -0.25 0.00 0.00 175.52 174.30 3hcp n SER 920 N -3.47 2.18 -4.77 5.36 7.64 -0.47 -4.97 113.62 115.12 3hcp n SER 920 Ca -0.01 -1.73 -0.41 0.00 1.01 0.00 0.00 58.87 57.72 3hcp n SER 920 Cb 0.27 -0.04 -0.01 0.00 -1.01 0.00 0.00 64.21 63.42 3hcp n SER 920 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3hcp s GLN 921 N -1.92 4.11 0.10 1.43 -1.52 -1.09 -4.91 119.66 115.86 3hcp s GLN 921 Ca 0.34 2.58 -0.32 0.00 -1.95 0.00 0.00 55.36 56.00 3hcp s GLN 921 Cb 0.20 -2.99 -0.12 0.00 -0.22 0.00 0.00 33.01 29.88 3hcp s GLN 921 CO 0.31 -0.58 1.77 0.94 -0.25 0.00 0.00 175.29 177.48 3hcp n GLN 922 N 1.26 2.54 0.00 2.91 7.27 -1.26 -5.06 117.38 125.03 3hcp n GLN 922 Ca 0.04 0.92 0.00 0.00 0.07 0.00 0.00 57.00 58.03 3hcp n GLN 922 Cb 0.38 -2.77 0.00 0.00 2.41 0.00 0.00 30.24 30.26 3hcp n GLN 922 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41