#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bwt h ARG 555 N 0.00 0.00 -0.36 -1.46 2.47 -2.04 -3.13 114.38 109.86 3bwt h ARG 555 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3bwt h ARG 555 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 3bwt h ARG 555 CO 0.00 0.07 0.00 1.19 0.56 0.00 0.00 179.97 181.79 3bwt n PHE 556 N -3.82 0.49 -0.23 3.04 3.01 -1.26 -4.59 117.46 114.09 3bwt n PHE 556 Ca -0.02 -0.49 -0.06 0.00 1.01 0.00 0.00 57.45 57.89 3bwt n PHE 556 Cb 0.16 -0.02 0.08 0.00 -0.01 0.00 0.00 39.48 39.68 3bwt n PHE 556 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3bwt h ALA 557 N 2.19 1.00 -0.84 4.37 0.00 -1.99 -3.00 119.26 121.00 3bwt h ALA 557 Ca 0.00 -0.24 -0.57 0.00 0.00 0.00 0.00 54.91 54.10 3bwt h ALA 557 Cb 0.74 -0.27 -0.41 0.00 0.00 0.00 0.00 17.79 17.86 3bwt h ALA 557 CO 0.00 0.65 -0.59 -0.25 0.00 0.00 0.00 179.25 179.06 3bwt n ASP 558 N -4.24 5.28 -4.77 0.00 8.00 -1.26 -5.03 116.55 114.53 3bwt n ASP 558 Ca 0.05 -3.75 -0.25 0.00 0.71 0.00 0.00 54.79 51.55 3bwt n ASP 558 Cb 0.25 -0.43 -0.06 0.00 -0.02 0.00 0.00 41.12 40.86 3bwt n ASP 558 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3bwt s ALA 559 N -3.63 3.77 -0.00 2.24 0.00 -1.13 -5.15 121.76 117.86 3bwt s ALA 559 Ca 0.53 -1.86 0.00 0.00 0.00 0.00 0.00 51.96 50.63 3bwt s ALA 559 Cb 0.42 -0.44 0.01 0.00 0.00 0.00 0.00 23.12 23.11 3bwt s ALA 559 CO 0.01 -0.20 0.00 0.08 0.00 0.00 0.00 175.76 175.65 3bwt s VAL 560 N -2.64 0.03 0.27 0.00 1.01 -1.26 -5.04 120.40 112.78 3bwt s VAL 560 Ca 0.38 0.02 -0.01 0.00 0.00 0.00 0.00 61.98 62.37 3bwt s VAL 560 Cb 0.02 -0.06 0.30 0.00 0.00 0.00 0.00 36.38 36.64 3bwt s VAL 560 CO 0.21 0.03 1.65 0.25 0.00 0.00 0.00 175.10 177.24 3bwt h LEU 561 N 6.37 -0.11 -2.64 3.92 6.46 -2.00 -1.37 115.31 125.94 3bwt h LEU 561 Ca -0.29 0.19 -0.00 0.00 -0.12 0.00 0.00 57.88 57.66 3bwt h LEU 561 Cb 1.19 0.29 -0.00 0.00 -0.73 0.00 0.00 40.66 41.41 3bwt h LEU 561 CO 0.50 -0.15 -0.01 0.44 -0.62 0.00 0.00 178.44 178.60 3bwt h ASP 562 N 0.18 0.00 0.64 1.25 3.32 -2.00 0.89 116.42 120.70 3bwt h ASP 562 Ca 0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.55 3bwt h ASP 562 Cb 0.96 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.51 3bwt h ASP 562 CO -0.65 0.01 -0.04 0.00 -1.72 0.00 0.00 179.24 176.84 3bwt n GLN 563 N -3.37 0.35 0.00 3.56 10.64 -0.52 -3.51 117.38 124.54 3bwt n GLN 563 Ca -0.03 -0.04 0.06 0.00 -1.83 0.00 0.00 57.00 55.16 3bwt n GLN 563 Cb 0.10 -1.50 -0.02 0.00 -0.86 0.00 0.00 30.24 27.96 3bwt n GLN 563 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 3bwt n TYR 564 N -1.29 0.00 -1.66 2.61 4.01 0.30 -4.95 117.16 116.17 3bwt n TYR 564 Ca 0.12 0.00 -0.50 0.00 -0.16 0.00 0.00 57.90 57.36 3bwt n TYR 564 Cb 0.28 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.25 3bwt n TYR 564 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 3bwt n ILE 565 N -0.50 0.23 -0.46 -0.72 2.08 -1.20 0.76 119.36 119.55 3bwt n ILE 565 Ca 0.04 -0.04 0.00 0.00 0.56 0.00 0.00 62.75 63.31 3bwt n ILE 565 Cb 0.24 -1.42 0.00 0.00 -0.75 0.00 0.00 39.64 37.71 3bwt n ILE 565 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3bwt n GLY 566 N 3.65 0.73 0.15 7.39 0.00 -1.26 -4.82 105.19 111.03 3bwt n GLY 566 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 3bwt n GLY 566 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3bwt n SER 567 N 0.00 0.00 -0.34 1.61 7.64 0.23 -4.90 113.62 117.86 3bwt n SER 567 Ca 0.00 -1.27 -0.01 0.00 1.01 0.00 0.00 58.87 58.60 3bwt n SER 567 Cb 0.00 -0.05 0.12 0.00 -1.01 0.00 0.00 64.21 63.27 3bwt n SER 567 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 3bwt h ILE 568 N 4.16 1.15 -0.63 0.44 2.04 -1.69 -2.35 117.51 120.62 3bwt h ILE 568 Ca 0.00 -0.39 -0.00 0.00 1.00 0.00 0.00 64.86 65.46 3bwt h ILE 568 Cb 1.11 -0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 3bwt h ILE 568 CO 0.00 0.21 0.38 -0.74 0.00 0.00 0.00 178.15 177.99 3bwt h HIS 569 N 1.15 0.82 0.00 1.37 2.76 -1.90 -1.09 115.15 118.25 3bwt h HIS 569 Ca 0.36 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.53 3bwt h HIS 569 Cb 0.00 -0.27 -0.00 0.00 1.55 0.00 0.00 27.41 28.69 3bwt h HIS 569 CO -0.01 0.55 -0.04 0.66 -1.30 0.00 0.00 177.93 177.79 3bwt h SER 570 N 0.87 0.00 1.60 3.26 4.64 -1.81 0.29 113.55 122.40 3bwt h SER 570 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 3bwt h SER 570 Cb -0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 3bwt h SER 570 CO -0.04 0.04 0.00 -0.07 -0.87 0.00 0.00 176.83 175.89 3bwt h LEU 571 N 0.00 0.00 -0.17 5.97 3.38 -1.24 -3.32 115.31 119.93 3bwt h LEU 571 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3bwt h LEU 571 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3bwt h LEU 571 CO 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 178.44 178.52 3bwt h LYS 573 N 0.41 -0.11 -6.55 0.00 1.57 -1.70 -3.37 116.57 106.82 3bwt h LYS 573 Ca 0.00 0.01 -0.59 0.00 -1.87 0.00 0.00 60.65 58.20 3bwt h LYS 573 Cb 0.18 0.02 0.15 0.00 0.08 0.00 0.00 32.23 32.66 3bwt h LYS 573 CO 0.00 -0.07 -0.13 -0.25 -0.57 0.00 0.00 179.45 178.43 3bwt n ASP 574 N -2.71 0.05 -0.17 0.86 8.00 -1.18 -4.72 116.55 116.67 3bwt n ASP 574 Ca -0.01 0.90 -0.11 0.00 0.71 0.00 0.00 54.79 56.28 3bwt n ASP 574 Cb 0.04 -1.25 0.00 0.00 -0.02 0.00 0.00 41.12 39.90 3bwt n ASP 574 CO 0.00 0.00 0.00 -0.61 -0.39 0.00 0.00 177.20 176.20 3bwt h GLN 575 N 0.88 0.97 -0.07 -1.24 4.15 -1.92 -1.77 115.11 116.11 3bwt h GLN 575 Ca -0.44 -0.36 -0.24 0.00 0.77 0.00 0.00 58.65 58.37 3bwt h GLN 575 Cb 1.37 -0.06 0.01 0.00 0.21 0.00 0.00 27.48 29.02 3bwt h GLN 575 CO 0.52 1.03 -0.92 0.45 -1.93 0.00 0.00 178.83 177.99 3bwt h HIS 576 N 0.83 1.00 -0.32 3.99 3.86 -1.91 -1.12 115.15 121.48 3bwt h HIS 576 Ca 0.13 -0.50 -0.00 0.00 -1.16 0.00 0.00 60.37 58.84 3bwt h HIS 576 Cb 0.67 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.99 3bwt h HIS 576 CO 0.05 1.33 0.19 0.78 0.86 0.00 0.00 177.93 181.13 3bwt h GLY 577 N 0.58 0.46 0.85 2.45 0.00 -1.71 0.08 103.07 105.78 3bwt h GLY 577 Ca -0.09 -0.20 0.03 0.00 0.00 0.00 0.00 47.33 47.07 3bwt h GLY 577 CO 0.18 0.19 0.32 0.00 0.00 0.00 0.00 176.54 177.23 3bwt h ARG 579 N 0.63 0.76 -0.07 0.00 3.08 -0.97 0.97 114.38 118.78 3bwt h ARG 579 Ca 0.22 -0.33 0.04 0.00 0.07 0.00 0.00 59.98 59.99 3bwt h ARG 579 Cb 0.04 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.01 3bwt h ARG 579 CO -0.11 0.94 -0.27 0.35 -1.07 0.00 0.00 179.97 179.82 3bwt h PHE 580 N 0.66 -0.73 -0.68 3.04 3.57 -0.69 -0.08 116.94 122.03 3bwt h PHE 580 Ca 0.08 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 3bwt h PHE 580 Cb 0.78 0.33 -0.03 0.00 2.79 0.00 0.00 35.95 39.82 3bwt h PHE 580 CO 0.04 -0.35 0.42 -0.07 -2.23 0.00 0.00 178.31 176.11 3bwt h LEU 581 N -0.37 0.81 -1.43 0.59 3.38 -0.71 -1.42 115.31 116.16 3bwt h LEU 581 Ca 0.08 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 3bwt h LEU 581 Cb 0.49 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 3bwt h LEU 581 CO -0.28 0.62 0.10 1.56 0.09 0.00 0.00 178.44 180.53 3bwt h GLN 582 N 0.92 0.48 0.90 1.13 4.20 -0.52 0.64 115.11 122.86 3bwt h GLN 582 Ca 0.24 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.84 3bwt h GLN 582 Cb -0.04 -0.09 0.01 0.00 0.30 0.00 0.00 27.48 27.66 3bwt h GLN 582 CO -0.05 0.43 -0.43 -0.22 -0.67 0.00 0.00 178.83 177.89 3bwt h LYS 583 N 0.48 -1.17 -0.90 1.46 3.64 -0.15 -1.53 116.57 118.40 3bwt h LYS 583 Ca 0.12 0.08 0.21 0.00 -1.27 0.00 0.00 60.65 59.79 3bwt h LYS 583 Cb 0.16 0.27 -0.12 0.00 -0.41 0.00 0.00 32.23 32.12 3bwt h LYS 583 CO -0.01 -0.77 0.42 1.96 -2.27 0.00 0.00 179.45 178.77 3bwt h GLN 584 N -1.29 0.43 -0.88 1.90 1.08 -0.77 0.35 115.11 115.93 3bwt h GLN 584 Ca -0.12 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.05 3bwt h GLN 584 Cb 0.93 -0.10 -0.04 0.00 -0.05 0.00 0.00 27.48 28.22 3bwt h GLN 584 CO 0.20 0.28 0.53 -0.07 -0.95 0.00 0.00 178.83 178.83 3bwt h LEU 585 N 0.44 1.06 -1.22 1.46 3.38 -0.72 -0.66 115.31 119.04 3bwt h LEU 585 Ca 0.56 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.43 3bwt h LEU 585 Cb 1.03 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 3bwt h LEU 585 CO -0.51 0.81 -0.19 -0.78 0.09 0.00 0.00 178.44 177.87 3bwt h ASP 586 N 1.22 0.00 0.00 -0.43 3.58 0.74 -3.36 116.42 118.18 3bwt h ASP 586 Ca 0.32 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.76 3bwt h ASP 586 Cb -0.05 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.00 3bwt h ASP 586 CO -0.06 0.19 -1.15 2.30 -2.88 0.00 0.00 179.24 177.64 3bwt n ILE 587 N -3.37 0.02 0.01 2.25 -5.35 -0.81 -4.88 119.36 107.22 3bwt n ILE 587 Ca 0.00 -0.08 -0.10 0.00 -0.27 0.00 0.00 62.75 62.30 3bwt n ILE 587 Cb 0.40 0.33 -0.08 0.00 -1.74 0.00 0.00 39.64 38.54 3bwt n ILE 587 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 3bwt h LEU 588 N 0.00 -0.10 0.00 7.28 3.38 -1.27 -3.49 115.31 121.11 3bwt h LEU 588 Ca -0.01 -0.47 -0.20 0.00 0.09 0.00 0.00 57.88 57.30 3bwt h LEU 588 Cb 0.22 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 3bwt h LEU 588 CO 0.00 0.54 -1.76 0.61 0.09 0.00 0.00 178.44 177.92 3bwt n GLY 589 N 0.98 -0.20 0.33 0.83 0.00 -1.26 -4.66 105.19 101.20 3bwt n GLY 589 Ca -0.07 -0.09 0.02 0.00 0.00 0.00 0.00 46.02 45.87 3bwt n GLY 589 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3bwt n SER 590 N -2.87 -0.45 -0.04 1.61 2.88 -1.26 0.16 113.62 113.65 3bwt n SER 590 Ca -0.23 1.51 -0.01 0.00 -1.33 0.00 0.00 58.87 58.81 3bwt n SER 590 Cb 0.76 -0.39 0.26 0.00 -0.75 0.00 0.00 64.21 64.09 3bwt n SER 590 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 3bwt h LYS 591 N 0.00 0.61 -0.16 -1.46 1.57 -1.97 -0.45 116.57 114.71 3bwt h LYS 591 Ca 0.35 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.98 3bwt h LYS 591 Cb 0.57 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 3bwt h LYS 591 CO -0.88 0.61 0.03 0.00 -0.57 0.00 0.00 179.45 178.64 3bwt h ALA 592 N 1.45 0.22 -0.87 3.86 0.00 0.12 -1.91 119.26 122.13 3bwt h ALA 592 Ca 0.13 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.93 3bwt h ALA 592 Cb 0.33 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 3bwt h ALA 592 CO 0.01 -0.12 0.55 0.00 0.00 0.00 0.00 179.25 179.68 3bwt h ALA 593 N 0.82 1.18 0.26 0.00 0.00 0.15 -0.07 119.26 121.60 3bwt h ALA 593 Ca 0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3bwt h ALA 593 Cb 0.30 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3bwt h ALA 593 CO 0.00 0.32 -0.12 -0.44 0.00 0.00 0.00 179.25 179.01 3bwt h ASP 594 N 1.01 -0.30 -0.61 0.00 3.32 -1.00 0.22 116.42 119.06 3bwt h ASP 594 Ca 0.37 -0.16 0.02 0.00 0.02 0.00 0.00 57.03 57.28 3bwt h ASP 594 Cb 0.13 0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.72 3bwt h ASP 594 CO -0.16 0.00 0.38 0.00 -1.72 0.00 0.00 179.24 177.75 3bwt h ALA 595 N 0.05 0.78 -0.09 3.45 0.00 -1.15 0.46 119.26 122.76 3bwt h ALA 595 Ca -0.04 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.63 3bwt h ALA 595 Cb 0.44 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.03 3bwt h ALA 595 CO 0.06 0.14 -0.82 0.82 0.00 0.00 0.00 179.25 179.45 3bwt h ILE 596 N 0.76 1.33 -0.22 0.00 2.04 -1.01 -2.56 117.51 117.86 3bwt h ILE 596 Ca 0.24 -2.13 0.01 0.00 1.00 0.00 0.00 64.86 63.97 3bwt h ILE 596 Cb -0.02 2.13 -0.01 0.00 -0.74 0.00 0.00 36.82 38.18 3bwt h ILE 596 CO -0.08 0.66 0.13 0.15 0.00 0.00 0.00 178.15 179.01 3bwt h PHE 597 N 0.39 0.25 -0.50 1.37 3.57 -0.21 -1.58 116.94 120.23 3bwt h PHE 597 Ca -0.06 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.40 3bwt h PHE 597 Cb 1.44 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 40.07 3bwt h PHE 597 CO 0.07 0.15 0.13 0.93 -2.23 0.00 0.00 178.31 177.37 3bwt h GLU 598 N 0.27 0.75 -0.00 1.11 4.39 -0.85 -1.03 114.58 119.22 3bwt h GLU 598 Ca 0.08 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.64 3bwt h GLU 598 Cb -0.02 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.51 3bwt h GLU 598 CO -0.03 0.67 -0.50 0.39 -1.16 0.00 0.00 179.01 178.38 3bwt n GLU 599 N -4.30 0.11 0.00 2.33 1.02 -0.97 -4.25 120.64 114.58 3bwt n GLU 599 Ca 0.04 -0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 3bwt n GLU 599 Cb 0.21 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.13 3bwt n GLU 599 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3bwt n THR 600 N -1.39 0.00 -0.27 2.62 -2.24 -0.61 -4.44 114.28 107.95 3bwt n THR 600 Ca 0.06 -0.50 0.09 0.00 -2.27 0.00 0.00 64.05 61.43 3bwt n THR 600 Cb 0.34 1.00 0.33 0.00 -2.10 0.00 0.00 70.33 69.90 3bwt n THR 600 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 3bwt h LYS 601 N 0.00 0.77 0.00 -0.78 2.10 -1.36 -0.79 116.57 116.51 3bwt h LYS 601 Ca 0.00 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 3bwt h LYS 601 Cb 0.00 -0.17 0.00 0.00 -0.90 0.00 0.00 32.23 31.16 3bwt h LYS 601 CO 0.00 0.51 0.00 -0.25 -2.00 0.00 0.00 179.45 177.71 3bwt n ASP 602 N -4.54 0.53 -0.20 7.07 8.00 -1.26 -3.04 116.55 123.11 3bwt n ASP 602 Ca 0.16 0.60 0.09 0.00 0.71 0.00 0.00 54.79 56.35 3bwt n ASP 602 Cb 0.36 -0.73 0.15 0.00 -0.02 0.00 0.00 41.12 40.89 3bwt n ASP 602 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3bwt n TYR 603 N -2.06 0.00 -0.24 1.24 4.01 -0.33 -4.80 117.16 114.98 3bwt n TYR 603 Ca 0.03 -1.09 -0.03 0.00 -0.16 0.00 0.00 57.90 56.65 3bwt n TYR 603 Cb 0.27 -0.17 0.08 0.00 -0.31 0.00 0.00 39.34 39.21 3bwt n TYR 603 CO 0.00 0.00 0.00 1.79 -0.46 0.00 0.00 176.86 178.19 3bwt h THR 604 N 0.35 1.06 -0.79 -0.72 1.35 -1.41 -0.71 112.91 112.04 3bwt h THR 604 Ca -0.00 -0.28 0.02 0.00 -0.55 0.00 0.00 66.41 65.60 3bwt h THR 604 Cb 1.01 0.19 -0.04 0.00 -1.73 0.00 0.00 68.15 67.57 3bwt h THR 604 CO 0.00 0.15 0.52 0.58 -0.25 0.00 0.00 175.52 176.52 3bwt h VAL 605 N 0.81 1.17 0.00 6.82 2.07 -1.88 0.31 116.25 125.55 3bwt h VAL 605 Ca 0.28 -0.36 -0.09 0.00 0.82 0.00 0.00 66.70 67.35 3bwt h VAL 605 Cb 0.06 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 29.85 3bwt h VAL 605 CO -0.12 0.19 -0.45 -0.08 0.02 0.00 0.00 177.57 177.13 3bwt h GLU 606 N 1.04 0.00 0.00 1.57 4.81 -1.73 -2.37 114.58 117.90 3bwt h GLU 606 Ca 0.30 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.43 3bwt h GLU 606 Cb -0.07 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 3bwt h GLU 606 CO -0.08 0.45 -0.64 -0.07 -0.73 0.00 0.00 179.01 177.94 3bwt h LEU 607 N 0.00 0.00 -0.47 1.64 3.38 -0.61 -3.23 115.31 116.01 3bwt h LEU 607 Ca -0.00 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 3bwt h LEU 607 Cb 1.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 3bwt h LEU 607 CO 0.06 0.43 -0.63 0.24 0.09 0.00 0.00 178.44 178.62 3bwt h MET 608 N 0.00 0.48 -0.64 1.13 2.86 -0.07 0.34 114.93 119.03 3bwt h MET 608 Ca -0.03 -0.34 0.00 0.00 -2.06 0.00 0.00 59.70 57.27 3bwt h MET 608 Cb 1.35 0.05 0.00 0.00 0.06 0.00 0.00 31.60 33.07 3bwt h MET 608 CO 0.05 0.96 0.00 0.25 1.06 0.00 0.00 176.91 179.23 3bwt n THR 609 N -3.90 1.92 -3.94 2.22 -2.24 -0.92 -1.42 114.28 106.00 3bwt n THR 609 Ca -0.04 -1.12 -0.32 0.00 -2.27 0.00 0.00 64.05 60.31 3bwt n THR 609 Cb 0.65 -0.06 -0.05 0.00 -2.10 0.00 0.00 70.33 68.78 3bwt n THR 609 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3bwt s ASP 610 N -0.79 6.25 0.37 3.42 2.15 -1.15 -4.70 116.67 122.22 3bwt s ASP 610 Ca 0.47 0.27 0.09 0.00 0.43 0.00 0.00 52.55 53.81 3bwt s ASP 610 Cb 0.32 -1.92 0.71 0.00 -0.30 0.00 0.00 42.92 41.73 3bwt s ASP 610 CO 0.19 0.21 1.86 0.77 -0.17 0.00 0.00 175.17 178.04 3bwt h SER 611 N 3.46 0.21 0.00 -0.34 4.64 -1.91 -2.19 113.55 117.42 3bwt h SER 611 Ca -0.47 -0.05 -0.24 0.00 -0.47 0.00 0.00 61.79 60.56 3bwt h SER 611 Cb 1.17 -0.06 -0.04 0.00 -0.31 0.00 0.00 62.40 63.16 3bwt h SER 611 CO 0.72 0.44 -1.89 0.49 -0.87 0.00 0.00 176.83 175.71 3bwt n PHE 612 N -4.21 0.00 -0.04 4.77 3.72 -1.26 -4.62 117.46 115.81 3bwt n PHE 612 Ca -0.01 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.41 3bwt n PHE 612 Cb 0.32 -0.62 0.35 0.00 -0.94 0.00 0.00 39.48 38.58 3bwt n PHE 612 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3bwt h GLY 613 N 1.88 0.66 0.86 1.37 0.00 -1.72 -2.39 103.07 103.74 3bwt h GLY 613 Ca -0.35 -0.30 0.08 0.00 0.00 0.00 0.00 47.33 46.76 3bwt h GLY 613 CO -0.02 0.28 0.54 3.45 0.00 0.00 0.00 176.54 180.80 3bwt h ASN 614 N 0.62 0.77 0.24 0.19 7.08 0.36 -1.57 115.58 123.28 3bwt h ASN 614 Ca 0.16 0.01 -0.13 0.00 -3.08 0.00 0.00 56.30 53.26 3bwt h ASN 614 Cb 0.07 -0.15 -0.01 0.00 -2.08 0.00 0.00 38.32 36.14 3bwt h ASN 614 CO -0.02 0.48 -0.49 1.88 -2.08 0.00 0.00 177.43 177.20 3bwt h TYR 615 N 0.86 0.35 0.41 4.14 0.05 -1.70 -1.39 116.97 119.69 3bwt h TYR 615 Ca 0.37 -0.11 -0.02 0.00 0.05 0.00 0.00 58.73 59.02 3bwt h TYR 615 Cb 0.32 -0.07 0.00 0.00 1.01 0.00 0.00 36.73 37.99 3bwt h TYR 615 CO -0.00 0.72 -0.20 1.25 -1.05 0.00 0.00 178.16 178.88 3bwt h LEU 616 N 0.23 -0.47 -1.23 3.88 5.85 -1.37 -1.62 115.31 120.58 3bwt h LEU 616 Ca 0.01 -0.05 0.06 0.00 0.84 0.00 0.00 57.88 58.75 3bwt h LEU 616 Cb 0.95 0.12 -0.05 0.00 0.37 0.00 0.00 40.66 42.04 3bwt h LEU 616 CO 0.08 -0.24 0.55 0.40 -0.34 0.00 0.00 178.44 178.88 3bwt h ILE 617 N -0.67 1.05 -0.62 4.05 1.08 -1.13 0.68 117.51 121.95 3bwt h ILE 617 Ca -0.06 -0.32 0.03 0.00 -0.39 0.00 0.00 64.86 64.12 3bwt h ILE 617 Cb 0.49 0.04 -0.04 0.00 -3.07 0.00 0.00 36.82 34.24 3bwt h ILE 617 CO 0.09 0.17 0.38 1.56 -0.69 0.00 0.00 178.15 179.67 3bwt h GLN 618 N 0.93 0.73 -0.28 2.37 4.20 -1.16 0.39 115.11 122.29 3bwt h GLN 618 Ca 0.36 -0.04 -0.11 0.00 0.06 0.00 0.00 58.65 58.92 3bwt h GLN 618 Cb 0.22 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 3bwt h GLN 618 CO -0.13 0.48 -0.24 -0.22 -0.67 0.00 0.00 178.83 178.05 3bwt h LYS 619 N 0.75 0.66 -0.67 1.46 1.63 -0.07 -3.03 116.57 117.31 3bwt h LYS 619 Ca 0.25 -0.34 0.04 0.00 -0.85 0.00 0.00 60.65 59.75 3bwt h LYS 619 Cb 0.01 0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 31.60 3bwt h LYS 619 CO -0.10 0.94 0.41 1.25 -3.45 0.00 0.00 179.45 178.50 3bwt h LEU 620 N 0.40 0.65 -1.08 5.20 5.85 0.73 -2.35 115.31 124.72 3bwt h LEU 620 Ca 0.05 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.83 3bwt h LEU 620 Cb 0.80 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.64 3bwt h LEU 620 CO 0.06 0.44 0.62 -0.07 -0.34 0.00 0.00 178.44 179.16 3bwt h LEU 621 N 0.79 0.99 -0.76 2.25 3.38 -0.15 -1.18 115.31 120.63 3bwt h LEU 621 Ca 0.28 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.16 3bwt h LEU 621 Cb 0.07 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3bwt h LEU 621 CO -0.13 0.65 -0.08 -0.33 0.09 0.00 0.00 178.44 178.64 3bwt h GLU 622 N 1.13 0.85 0.00 1.13 5.08 -1.31 -3.32 114.58 118.14 3bwt h GLU 622 Ca 0.40 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3bwt h GLU 622 Cb 0.12 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.30 3bwt h GLU 622 CO -0.14 0.91 -1.14 -1.91 -1.00 0.00 0.00 179.01 175.73 3bwt n GLU 623 N -4.17 0.24 -2.02 2.33 4.07 -0.83 -4.94 120.64 115.33 3bwt n GLU 623 Ca 0.02 -0.03 -0.30 0.00 -0.06 0.00 0.00 57.16 56.78 3bwt n GLU 623 Cb 0.36 -1.55 0.01 0.00 -0.06 0.00 0.00 31.44 30.21 3bwt n GLU 623 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 3bwt s VAL 624 N -3.18 4.57 0.93 6.31 0.11 -0.51 -4.78 120.40 123.85 3bwt s VAL 624 Ca 0.04 0.69 -0.15 0.00 -2.93 0.00 0.00 61.98 59.63 3bwt s VAL 624 Cb 0.15 -3.81 0.16 0.00 -1.53 0.00 0.00 36.38 31.35 3bwt s VAL 624 CO 0.83 -1.02 1.25 0.42 -3.33 0.00 0.00 175.10 173.26 3bwt s THR 625 N -3.12 1.98 0.24 5.04 -4.23 -1.26 -4.80 115.64 109.48 3bwt s THR 625 Ca 0.54 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 61.01 3bwt s THR 625 Cb -0.11 -2.95 0.09 0.00 1.34 0.00 0.00 72.50 70.87 3bwt s THR 625 CO 0.52 0.00 1.71 0.74 -0.54 0.00 0.00 174.62 177.05 3bwt h THR 626 N -1.51 1.25 -0.18 3.99 2.02 -1.98 0.68 112.91 117.18 3bwt h THR 626 Ca -0.45 -1.10 0.01 0.00 0.77 0.00 0.00 66.41 65.63 3bwt h THR 626 Cb 1.27 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 68.60 3bwt h THR 626 CO 0.48 0.39 0.11 -0.33 0.37 0.00 0.00 175.52 176.54 3bwt h GLU 627 N 0.78 0.22 -0.34 6.66 3.07 -2.00 -0.90 114.58 122.06 3bwt h GLU 627 Ca 0.14 -0.01 -0.06 0.00 -0.50 0.00 0.00 59.36 58.92 3bwt h GLU 627 Cb 0.53 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.38 3bwt h GLU 627 CO 0.03 0.14 -0.04 1.96 -1.40 0.00 0.00 179.01 179.71 3bwt h GLN 628 N 0.22 0.63 -0.92 2.33 4.20 -1.87 -2.78 115.11 116.92 3bwt h GLN 628 Ca 0.07 -0.22 0.09 0.00 0.06 0.00 0.00 58.65 58.65 3bwt h GLN 628 Cb -0.01 -0.05 -0.07 0.00 0.30 0.00 0.00 27.48 27.65 3bwt h GLN 628 CO -0.03 0.77 0.57 -0.09 -0.67 0.00 0.00 178.83 179.38 3bwt h ARG 629 N 0.42 0.94 0.00 1.46 2.43 -0.66 -0.43 114.38 118.54 3bwt h ARG 629 Ca 0.09 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.15 3bwt h ARG 629 Cb 0.51 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 3bwt h ARG 629 CO 0.02 0.62 -0.25 0.82 -1.51 0.00 0.00 179.97 179.68 3bwt h ILE 630 N 0.97 1.16 -0.09 1.20 2.04 -0.91 -0.75 117.51 121.14 3bwt h ILE 630 Ca 0.43 -0.85 -0.14 0.00 1.00 0.00 0.00 64.86 65.31 3bwt h ILE 630 Cb 0.32 1.46 0.01 0.00 -0.74 0.00 0.00 36.82 37.87 3bwt h ILE 630 CO -0.22 0.24 -0.48 0.58 0.00 0.00 0.00 178.15 178.27 3bwt h VAL 631 N 0.00 1.38 -0.87 1.67 2.07 -0.86 -1.25 116.25 118.38 3bwt h VAL 631 Ca -0.00 -1.82 0.02 0.00 0.82 0.00 0.00 66.70 65.72 3bwt h VAL 631 Cb 0.44 2.23 -0.05 0.00 -1.52 0.00 0.00 31.29 32.40 3bwt h VAL 631 CO 0.03 0.54 0.58 -0.07 0.02 0.00 0.00 177.57 178.67 3bwt h LEU 632 N 0.06 0.98 -0.38 2.57 3.38 -0.93 -1.25 115.31 119.75 3bwt h LEU 632 Ca -0.03 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 3bwt h LEU 632 Cb 1.12 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 3bwt h LEU 632 CO 0.10 0.70 0.02 0.74 0.09 0.00 0.00 178.44 180.08 3bwt h THR 633 N 1.15 1.25 -0.51 0.22 2.02 -1.06 -2.14 112.91 113.84 3bwt h THR 633 Ca 0.33 -0.96 -0.07 0.00 0.77 0.00 0.00 66.41 66.48 3bwt h THR 633 Cb -0.08 1.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 3bwt h THR 633 CO -0.08 0.32 0.03 0.11 0.37 0.00 0.00 175.52 176.26 3bwt h LYS 634 N 0.48 0.84 -0.22 6.66 1.57 -0.61 -0.30 116.57 124.98 3bwt h LYS 634 Ca 0.11 -0.22 -0.18 0.00 -1.87 0.00 0.00 60.65 58.49 3bwt h LYS 634 Cb 0.44 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.65 3bwt h LYS 634 CO 0.02 0.83 -0.56 0.82 -0.57 0.00 0.00 179.45 179.98 3bwt h ILE 635 N 0.79 1.29 0.00 1.86 2.04 -1.20 -3.28 117.51 119.01 3bwt h ILE 635 Ca 0.16 -1.77 -0.14 0.00 1.00 0.00 0.00 64.86 64.11 3bwt h ILE 635 Cb 0.44 1.80 -0.02 0.00 -0.74 0.00 0.00 36.82 38.30 3bwt h ILE 635 CO 0.02 0.56 -0.74 0.77 0.00 0.00 0.00 178.15 178.76 3bwt h SER 636 N 0.52 0.00 -0.94 1.72 4.64 -1.27 -3.39 113.55 114.83 3bwt h SER 636 Ca -0.01 0.00 0.15 0.00 -0.47 0.00 0.00 61.79 61.47 3bwt h SER 636 Cb 1.18 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.19 3bwt h SER 636 CO 0.12 0.62 0.60 0.77 -0.87 0.00 0.00 176.83 178.06 3bwt h SER 637 N 0.00 0.71 0.32 4.97 4.64 -1.11 0.26 113.55 123.34 3bwt h SER 637 Ca -0.03 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3bwt h SER 637 Cb 1.50 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.50 3bwt h SER 637 CO 0.08 0.34 0.00 -2.65 -0.87 0.00 0.00 176.83 173.72 3bwt n PRO 638 N -4.60 0.13 -0.32 4.77 -0.02 -1.26 -2.99 135.00 130.72 3bwt n PRO 638 Ca 0.19 0.19 0.08 0.00 -2.02 0.00 0.00 63.50 61.94 3bwt n PRO 638 Cb 0.49 -1.50 0.16 0.00 -0.02 0.00 0.00 33.50 32.63 3bwt n PRO 638 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3bwt n HIS 639 N -1.35 0.00 -0.11 6.00 8.25 0.89 -4.78 115.22 124.12 3bwt n HIS 639 Ca 0.05 -1.14 -0.00 0.00 -0.26 0.00 0.00 57.72 56.37 3bwt n HIS 639 Cb 0.12 -0.18 0.26 0.00 1.12 0.00 0.00 29.99 31.31 3bwt n HIS 639 CO 0.00 0.00 0.00 0.74 0.64 0.00 0.00 176.34 177.72 3bwt h PHE 640 N 0.40 0.78 0.04 4.41 -1.00 -1.53 -1.03 116.94 119.01 3bwt h PHE 640 Ca -0.01 -0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.74 3bwt h PHE 640 Cb 1.03 -0.24 0.00 0.00 3.61 0.00 0.00 35.95 40.35 3bwt h PHE 640 CO 0.29 0.59 -0.02 0.28 -1.61 0.00 0.00 178.31 177.84 3bwt h VAL 641 N 0.78 1.08 -0.66 -0.55 2.07 -1.88 0.23 116.25 117.33 3bwt h VAL 641 Ca 0.19 -0.39 0.08 0.00 0.82 0.00 0.00 66.70 67.39 3bwt h VAL 641 Cb 0.12 1.35 -0.06 0.00 -1.52 0.00 0.00 31.29 31.17 3bwt h VAL 641 CO -0.02 0.10 0.33 -0.08 0.02 0.00 0.00 177.57 177.92 3bwt h GLU 642 N -0.23 0.58 -0.39 1.57 4.81 -1.84 -1.78 114.58 117.30 3bwt h GLU 642 Ca -0.01 -0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 59.05 3bwt h GLU 642 Cb 0.21 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 3bwt h GLU 642 CO 0.01 0.38 -0.32 0.82 -0.73 0.00 0.00 179.01 179.17 3bwt h ILE 643 N 0.59 1.28 0.00 2.32 2.04 -0.93 -3.13 117.51 119.68 3bwt h ILE 643 Ca 0.31 -1.49 -0.07 0.00 1.00 0.00 0.00 64.86 64.62 3bwt h ILE 643 Cb 0.28 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 3bwt h ILE 643 CO -0.23 0.50 -0.31 0.28 0.00 0.00 0.00 178.15 178.38 3bwt h SER 644 N 0.72 0.00 1.70 1.72 0.02 -0.19 -1.59 113.55 115.92 3bwt h SER 644 Ca 0.07 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 3bwt h SER 644 Cb 0.90 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.44 3bwt h SER 644 CO 0.08 0.31 -0.15 -0.07 -1.14 0.00 0.00 176.83 175.86 3bwt h LEU 645 N 0.00 0.00 -9.65 5.07 3.38 -1.28 -2.59 115.31 110.23 3bwt h LEU 645 Ca -0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 3bwt h LEU 645 Cb 0.70 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 3bwt h LEU 645 CO 0.04 0.15 0.27 0.21 0.09 0.00 0.00 178.44 179.20 3bwt s ASN 646 N -6.23 7.45 0.48 -0.43 3.84 -1.06 -4.68 114.94 114.31 3bwt s ASN 646 Ca 0.05 1.73 0.15 0.00 0.21 0.00 0.00 52.86 55.00 3bwt s ASN 646 Cb 0.06 -2.55 1.15 0.00 -0.55 0.00 0.00 41.25 39.37 3bwt s ASN 646 CO 0.68 0.09 2.07 -0.65 -2.79 0.00 0.00 177.10 176.49 3bwt h PRO 647 N 4.87 0.20 0.00 0.43 0.11 -1.88 -0.69 132.00 135.05 3bwt h PRO 647 Ca -0.45 -0.01 -0.24 0.00 0.11 0.00 0.00 66.00 65.41 3bwt h PRO 647 Cb 1.21 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 32.23 3bwt h PRO 647 CO 0.69 0.13 -1.41 0.72 -0.21 0.00 0.00 178.00 177.92 3bwt n HIS 648 N -4.48 0.78 -0.33 0.65 8.25 -1.26 -3.99 115.22 114.83 3bwt n HIS 648 Ca 0.03 0.34 0.12 0.00 -0.26 0.00 0.00 57.72 57.95 3bwt n HIS 648 Cb 0.23 -1.02 0.25 0.00 1.12 0.00 0.00 29.99 30.57 3bwt n HIS 648 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3bwt n GLY 649 N 1.42 -1.33 0.25 -1.41 0.00 -0.51 0.42 105.19 104.03 3bwt n GLY 649 Ca -0.33 0.93 0.05 0.00 0.00 0.00 0.00 46.02 46.67 3bwt n GLY 649 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bwt h THR 650 N 0.00 1.11 0.15 2.61 1.03 -0.11 0.45 112.91 118.14 3bwt h THR 650 Ca 0.55 -0.46 -0.30 0.00 -0.01 0.00 0.00 66.41 66.19 3bwt h THR 650 Cb 1.08 1.12 0.02 0.00 -1.07 0.00 0.00 68.15 69.31 3bwt h THR 650 CO -0.90 0.14 -1.28 0.03 -0.01 0.00 0.00 175.52 173.51 3bwt h ARG 651 N 0.12 0.52 -0.51 0.00 3.08 -0.17 -2.38 114.38 115.05 3bwt h ARG 651 Ca 0.03 -0.75 -0.07 0.00 0.07 0.00 0.00 59.98 59.25 3bwt h ARG 651 Cb 0.21 0.26 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 3bwt h ARG 651 CO 0.01 1.34 0.02 0.00 -1.07 0.00 0.00 179.97 180.27 3bwt h ALA 652 N 0.36 1.08 0.00 0.04 0.00 -0.79 -2.47 119.26 117.47 3bwt h ALA 652 Ca -0.19 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.33 3bwt h ALA 652 Cb 1.96 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.53 3bwt h ALA 652 CO 0.24 0.58 -0.60 1.25 0.00 0.00 0.00 179.25 180.72 3bwt h LEU 653 N 0.78 0.00 -0.43 0.00 5.85 -0.94 -1.91 115.31 118.66 3bwt h LEU 653 Ca 0.15 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.76 3bwt h LEU 653 Cb 0.45 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 3bwt h LEU 653 CO 0.02 0.60 -0.16 1.56 -0.34 0.00 0.00 178.44 180.12 3bwt h GLN 654 N 0.00 0.87 -0.56 1.25 4.20 -1.31 -2.56 115.11 117.01 3bwt h GLN 654 Ca -0.01 -0.36 -0.02 0.00 0.06 0.00 0.00 58.65 58.33 3bwt h GLN 654 Cb 1.40 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 29.12 3bwt h GLN 654 CO 0.08 1.00 0.27 -0.22 -0.67 0.00 0.00 178.83 179.29 3bwt h LYS 655 N 0.69 0.80 -0.31 1.46 1.63 -1.24 -0.84 116.57 118.76 3bwt h LYS 655 Ca 0.10 -0.11 0.07 0.00 -0.85 0.00 0.00 60.65 59.86 3bwt h LYS 655 Cb 0.71 -0.14 -0.07 0.00 -0.60 0.00 0.00 32.23 32.13 3bwt h LYS 655 CO 0.05 0.65 -0.14 1.25 -3.45 0.00 0.00 179.45 177.81 3bwt h LEU 656 N 0.75 -0.48 -0.83 5.20 6.46 -1.31 -0.15 115.31 124.95 3bwt h LEU 656 Ca 0.19 0.12 0.02 0.00 -0.12 0.00 0.00 57.88 58.09 3bwt h LEU 656 Cb 0.11 0.27 -0.05 0.00 -0.73 0.00 0.00 40.66 40.26 3bwt h LEU 656 CO -0.02 -0.18 0.55 0.40 -0.62 0.00 0.00 178.44 178.57 3bwt h ILE 657 N -0.09 1.18 0.00 4.05 2.04 -1.16 -1.23 117.51 122.30 3bwt h ILE 657 Ca 0.16 -0.37 -0.02 0.00 1.00 0.00 0.00 64.86 65.63 3bwt h ILE 657 Cb 0.33 -0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.40 3bwt h ILE 657 CO -0.37 0.20 -0.09 -0.33 0.00 0.00 0.00 178.15 177.56 3bwt h GLU 658 N 1.09 0.00 0.00 2.37 5.08 -0.37 -3.14 114.58 119.61 3bwt h GLU 658 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 3bwt h GLU 658 Cb -0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.18 3bwt h GLU 658 CO -0.09 0.09 -0.95 0.00 -1.00 0.00 0.00 179.01 177.06 3bwt s ILE 660 N -3.36 3.21 -0.16 0.00 -4.36 -0.90 -4.92 121.20 110.71 3bwt s ILE 660 Ca -0.00 0.98 0.00 0.00 -0.26 0.00 0.00 60.65 61.37 3bwt s ILE 660 Cb 0.09 -3.63 -0.10 0.00 1.25 0.00 0.00 42.46 40.07 3bwt s ILE 660 CO 0.78 0.14 -0.15 0.29 0.24 0.00 0.00 174.94 176.24 3bwt n LYS 661 N 2.74 0.40 -1.82 0.37 5.02 -1.26 -5.04 118.16 118.57 3bwt n LYS 661 Ca 0.07 0.10 -0.29 0.00 -2.02 0.00 0.00 58.31 56.17 3bwt n LYS 661 Cb 0.43 -1.30 0.10 0.00 -0.02 0.00 0.00 35.03 34.23 3bwt n LYS 661 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3bwt s THR 662 N -2.32 2.14 -0.15 -0.18 -4.23 -1.26 -4.99 115.64 104.64 3bwt s THR 662 Ca -0.22 0.04 0.21 0.00 -1.18 0.00 0.00 61.69 60.55 3bwt s THR 662 Cb 0.06 -2.99 -0.15 0.00 1.34 0.00 0.00 72.50 70.76 3bwt s THR 662 CO 0.37 -0.06 0.78 0.47 -0.54 0.00 0.00 174.62 175.64 3bwt n ASP 663 N -3.38 0.52 -0.15 3.99 8.00 -1.26 -3.32 116.55 120.95 3bwt n ASP 663 Ca 0.08 0.21 -0.05 0.00 0.71 0.00 0.00 54.79 55.73 3bwt n ASP 663 Cb 0.60 0.96 0.12 0.00 -0.02 0.00 0.00 41.12 42.79 3bwt n ASP 663 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 3bwt h GLU 664 N 0.00 0.91 -0.46 -1.24 4.81 -1.99 -0.73 114.58 115.88 3bwt h GLU 664 Ca -0.05 -0.24 -0.06 0.00 -0.13 0.00 0.00 59.36 58.88 3bwt h GLU 664 Cb 1.13 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.39 3bwt h GLU 664 CO 0.01 0.87 0.04 0.93 -0.73 0.00 0.00 179.01 180.13 3bwt h GLU 665 N 0.85 0.72 -0.03 1.92 5.08 -1.96 -1.77 114.58 119.39 3bwt h GLU 665 Ca 0.17 -0.17 -0.23 0.00 -1.00 0.00 0.00 59.36 58.13 3bwt h GLU 665 Cb 0.44 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.60 3bwt h GLU 665 CO 0.02 0.71 -0.93 0.00 -1.00 0.00 0.00 179.01 177.80 3bwt h ALA 666 N 1.36 0.31 -0.65 3.43 0.00 -1.47 -2.55 119.26 119.69 3bwt h ALA 666 Ca 0.14 -0.68 -0.08 0.00 0.00 0.00 0.00 54.91 54.29 3bwt h ALA 666 Cb 0.37 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3bwt h ALA 666 CO 0.01 0.75 0.09 1.96 0.00 0.00 0.00 179.25 182.06 3bwt h GLN 667 N 0.33 1.10 -0.65 0.00 1.08 -0.99 -0.05 115.11 115.92 3bwt h GLN 667 Ca -0.09 -0.31 -0.01 0.00 -1.45 0.00 0.00 58.65 56.79 3bwt h GLN 667 Cb 1.57 -0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 28.84 3bwt h GLN 667 CO 0.17 1.02 0.35 0.82 -0.95 0.00 0.00 178.83 180.24 3bwt h ILE 668 N 1.01 1.20 0.05 2.54 2.04 -1.31 0.41 117.51 123.45 3bwt h ILE 668 Ca 0.20 -0.49 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 3bwt h ILE 668 Cb 0.47 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 3bwt h ILE 668 CO 0.02 0.22 -0.02 0.58 0.00 0.00 0.00 178.15 178.94 3bwt h VAL 669 N 0.90 1.30 -0.62 1.67 2.07 -1.00 -1.91 116.25 118.66 3bwt h VAL 669 Ca 0.23 -1.33 0.01 0.00 0.82 0.00 0.00 66.70 66.43 3bwt h VAL 669 Cb 0.02 2.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.92 3bwt h VAL 669 CO -0.04 0.33 0.40 -0.37 0.02 0.00 0.00 177.57 177.91 3bwt h VAL 670 N -0.68 1.13 -0.76 2.57 -1.51 -0.97 0.12 116.25 116.15 3bwt h VAL 670 Ca -0.01 -0.28 0.06 0.00 -1.23 0.00 0.00 66.70 65.25 3bwt h VAL 670 Cb 0.59 0.25 -0.05 0.00 -2.13 0.00 0.00 31.29 29.94 3bwt h VAL 670 CO 0.01 0.15 0.50 0.44 -1.23 0.00 0.00 177.57 177.44 3bwt h ASP 671 N 0.81 0.72 0.91 4.19 5.19 -0.95 0.15 116.42 127.45 3bwt h ASP 671 Ca 0.24 0.00 -0.23 0.00 -0.62 0.00 0.00 57.03 56.42 3bwt h ASP 671 Cb -0.05 -0.15 -0.03 0.00 0.18 0.00 0.00 39.33 39.28 3bwt h ASP 671 CO -0.07 0.47 -1.10 0.28 -3.12 0.00 0.00 179.24 175.70 3bwt h SER 672 N 0.82 0.05 0.19 6.45 0.02 -0.42 -3.36 113.55 117.30 3bwt h SER 672 Ca 0.32 -0.05 -0.35 0.00 -0.84 0.00 0.00 61.79 60.87 3bwt h SER 672 Cb 0.22 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.72 3bwt h SER 672 CO -0.11 1.04 -1.97 0.18 -1.14 0.00 0.00 176.83 174.84 3bwt n LEU 673 N -3.34 2.28 -0.34 5.07 4.77 -0.08 -4.57 117.00 120.78 3bwt n LEU 673 Ca -0.03 0.23 -0.02 0.00 -0.03 0.00 0.00 56.01 56.17 3bwt n LEU 673 Cb 0.96 -0.84 0.03 0.00 -2.33 0.00 0.00 43.42 41.24 3bwt n LEU 673 CO 0.47 0.76 0.59 -0.09 -1.33 0.00 0.00 177.39 177.80 3bwt h ARG 674 N 0.05 -0.04 0.00 3.23 2.43 -0.84 0.38 114.38 119.60 3bwt h ARG 674 Ca -0.40 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.77 3bwt h ARG 674 Cb 2.03 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.59 3bwt h ARG 674 CO 0.08 -0.02 0.31 -1.35 -1.51 0.00 0.00 179.97 177.48 3bwt h PRO 675 N -0.04 0.00 0.00 0.20 0.11 -1.81 -2.65 132.00 127.82 3bwt h PRO 675 Ca 0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.43 3bwt h PRO 675 Cb 0.58 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.69 3bwt h PRO 675 CO -0.92 0.00 -0.01 0.66 -0.21 0.00 0.00 178.00 177.52 3bwt n TYR 676 N -2.83 0.00 -0.16 0.65 4.01 0.13 -4.86 117.16 114.09 3bwt n TYR 676 Ca -0.02 -0.90 -0.04 0.00 -0.16 0.00 0.00 57.90 56.78 3bwt n TYR 676 Cb 0.36 -0.13 0.05 0.00 -0.31 0.00 0.00 39.34 39.31 3bwt n TYR 676 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 3bwt h THR 677 N 0.11 0.95 0.13 -0.72 2.02 -1.40 -1.91 112.91 112.09 3bwt h THR 677 Ca 0.00 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 67.01 3bwt h THR 677 Cb 0.92 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 3bwt h THR 677 CO 0.00 0.09 -0.06 0.58 0.37 0.00 0.00 175.52 176.50 3bwt h VAL 678 N 0.48 0.99 -0.68 3.16 2.07 -1.89 0.58 116.25 120.96 3bwt h VAL 678 Ca 0.22 -0.48 0.15 0.00 0.82 0.00 0.00 66.70 67.41 3bwt h VAL 678 Cb 0.14 1.29 -0.11 0.00 -1.52 0.00 0.00 31.29 31.09 3bwt h VAL 678 CO -0.16 0.11 0.03 -0.61 0.02 0.00 0.00 177.57 176.96 3bwt h GLN 679 N -0.39 0.13 -0.09 1.57 4.15 -1.86 0.10 115.11 118.72 3bwt h GLN 679 Ca -0.02 -0.01 -0.23 0.00 0.77 0.00 0.00 58.65 59.17 3bwt h GLN 679 Cb 0.32 -0.03 0.01 0.00 0.21 0.00 0.00 27.48 27.99 3bwt h GLN 679 CO 0.03 0.09 -0.82 -0.07 -1.93 0.00 0.00 178.83 176.12 3bwt h LEU 680 N 0.14 0.88 -1.48 -2.39 3.38 -1.29 -2.45 115.31 112.10 3bwt h LEU 680 Ca 0.37 -0.67 0.17 0.00 0.09 0.00 0.00 57.88 57.83 3bwt h LEU 680 Cb 0.61 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.04 3bwt h LEU 680 CO -0.57 1.42 0.56 0.28 0.09 0.00 0.00 178.44 180.22 3bwt h SER 681 N 0.41 0.46 0.22 -0.43 0.02 -0.07 0.20 113.55 114.36 3bwt h SER 681 Ca -0.08 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 3bwt h SER 681 Cb 1.47 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.96 3bwt h SER 681 CO 0.17 0.21 -0.20 0.29 -1.14 0.00 0.00 176.83 176.16 3bwt n LYS 682 N -4.51 0.92 -3.57 3.45 5.02 0.28 -2.91 118.16 116.84 3bwt n LYS 682 Ca 0.17 -0.51 -0.38 0.00 -2.02 0.00 0.00 58.31 55.58 3bwt n LYS 682 Cb 0.59 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 34.05 3bwt n LYS 682 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3bwt s ASP 683 N -2.43 6.71 0.37 4.39 -1.08 -0.56 -4.77 116.67 119.30 3bwt s ASP 683 Ca 0.27 0.84 0.13 0.00 -0.52 0.00 0.00 52.55 53.27 3bwt s ASP 683 Cb 0.20 -2.22 0.93 0.00 -1.46 0.00 0.00 42.92 40.37 3bwt s ASP 683 CO 0.49 0.32 1.81 0.25 0.52 0.00 0.00 175.17 178.56 3bwt h LEU 684 N 4.93 0.58 0.01 -1.34 5.85 -1.91 -0.91 115.31 122.53 3bwt h LEU 684 Ca -0.51 0.07 -0.37 0.00 0.84 0.00 0.00 57.88 57.91 3bwt h LEU 684 Cb 1.22 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 42.15 3bwt h LEU 684 CO 0.62 0.21 -2.34 0.59 -0.34 0.00 0.00 178.44 177.19 3bwt n ASN 685 N -4.63 1.04 0.08 1.25 3.02 -1.26 -4.60 115.26 110.16 3bwt n ASN 685 Ca 0.22 -0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.75 3bwt n ASN 685 Cb 0.66 0.20 0.25 0.00 -0.61 0.00 0.00 39.78 40.27 3bwt n ASN 685 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 3bwt h GLY 686 N 2.93 0.31 2.00 7.41 0.00 -1.03 -3.09 103.07 111.60 3bwt h GLY 686 Ca -0.53 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 46.52 3bwt h GLY 686 CO -0.01 0.24 -0.05 3.45 0.00 0.00 0.00 176.54 180.17 3bwt h ASN 687 N 0.25 0.00 0.27 0.19 7.08 0.75 -1.48 115.58 122.64 3bwt h ASN 687 Ca 0.03 0.00 -0.15 0.00 -3.08 0.00 0.00 56.30 53.10 3bwt h ASN 687 Cb 0.71 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.94 3bwt h ASN 687 CO 0.05 0.05 -0.59 0.45 -2.08 0.00 0.00 177.43 175.31 3bwt h HIS 688 N 0.00 0.42 -0.25 4.14 3.86 -1.80 -0.78 115.15 120.74 3bwt h HIS 688 Ca -0.00 -0.16 -0.02 0.00 -1.16 0.00 0.00 60.37 59.03 3bwt h HIS 688 Cb 0.11 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.49 3bwt h HIS 688 CO 0.00 0.84 0.07 0.28 0.86 0.00 0.00 177.93 179.98 3bwt h VAL 689 N 0.25 1.20 -0.73 2.45 2.07 -1.42 -1.12 116.25 118.95 3bwt h VAL 689 Ca -0.00 -0.65 0.05 0.00 0.82 0.00 0.00 66.70 66.92 3bwt h VAL 689 Cb 1.11 1.16 -0.05 0.00 -1.52 0.00 0.00 31.29 31.98 3bwt h VAL 689 CO 0.10 0.21 0.43 0.40 0.02 0.00 0.00 177.57 178.73 3bwt h ILE 690 N 0.23 1.02 -0.53 4.57 1.08 -1.34 -2.26 117.51 120.28 3bwt h ILE 690 Ca 0.08 -0.28 -0.07 0.00 -0.39 0.00 0.00 64.86 64.20 3bwt h ILE 690 Cb 0.25 0.14 -0.02 0.00 -3.07 0.00 0.00 36.82 34.13 3bwt h ILE 690 CO -0.00 0.15 0.04 1.56 -0.69 0.00 0.00 178.15 179.21 3bwt h GLN 691 N 0.81 0.88 -0.84 2.37 4.20 -0.94 -2.68 115.11 118.91 3bwt h GLN 691 Ca 0.31 -0.23 0.02 0.00 0.06 0.00 0.00 58.65 58.82 3bwt h GLN 691 Cb 0.13 -0.11 -0.05 0.00 0.30 0.00 0.00 27.48 27.76 3bwt h GLN 691 CO -0.16 0.85 0.55 -0.22 -0.67 0.00 0.00 178.83 179.18 3bwt h LYS 692 N 0.82 1.05 -0.68 1.46 1.63 -0.64 -0.48 116.57 119.73 3bwt h LYS 692 Ca 0.16 -0.06 0.05 0.00 -0.85 0.00 0.00 60.65 59.95 3bwt h LYS 692 Cb 0.43 -0.24 -0.05 0.00 -0.60 0.00 0.00 32.23 31.77 3bwt h LYS 692 CO 0.02 0.69 0.39 0.00 -3.45 0.00 0.00 179.45 177.10 3bwt h LEU 694 N 0.72 0.91 -1.42 0.00 3.38 -1.21 0.09 115.31 117.79 3bwt h LEU 694 Ca 0.30 -0.38 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 3bwt h LEU 694 Cb 0.16 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 3bwt h LEU 694 CO -0.17 1.15 -0.13 1.56 0.09 0.00 0.00 178.44 180.94 3bwt h GLN 695 N 0.72 0.00 0.00 1.13 4.20 -0.18 -3.38 115.11 117.60 3bwt h GLN 695 Ca 0.07 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.73 3bwt h GLN 695 Cb 0.89 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.66 3bwt h GLN 695 CO 0.08 0.13 -1.20 0.54 -0.67 0.00 0.00 178.83 177.71 3bwt n ARG 696 N -3.32 1.81 -2.60 1.46 5.12 -0.15 -5.07 116.66 113.91 3bwt n ARG 696 Ca -0.00 0.01 -0.26 0.00 -1.93 0.00 0.00 57.85 55.67 3bwt n ARG 696 Cb 0.35 -1.07 0.02 0.00 -1.16 0.00 0.00 32.46 30.60 3bwt n ARG 696 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3bwt s LEU 697 N -4.71 3.42 0.42 0.55 1.43 0.00 -5.06 118.68 114.73 3bwt s LEU 697 Ca -0.03 0.64 -0.24 0.00 -1.03 0.00 0.00 54.13 53.47 3bwt s LEU 697 Cb 0.01 -3.50 -0.08 0.00 0.03 0.00 0.00 46.19 42.65 3bwt s LEU 697 CO 0.10 -0.88 1.14 -0.54 0.23 0.00 0.00 176.35 176.40 3bwt s LYS 698 N -4.83 3.97 0.49 1.70 1.02 -1.26 -4.82 119.74 116.02 3bwt s LYS 698 Ca 0.51 1.75 0.31 0.00 0.02 0.00 0.00 55.97 58.57 3bwt s LYS 698 Cb -0.10 -2.56 1.42 0.00 -0.52 0.00 0.00 37.83 36.07 3bwt s LYS 698 CO 0.43 -0.37 1.78 -1.35 -0.92 0.00 0.00 175.35 174.93 3bwt h PRO 699 N 2.40 0.12 -0.05 -1.68 0.11 -1.95 0.48 132.00 131.44 3bwt h PRO 699 Ca -0.49 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.51 3bwt h PRO 699 Cb 1.24 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 3bwt h PRO 699 CO 0.62 0.08 -0.46 0.93 -0.21 0.00 0.00 178.00 178.96 3bwt h GLU 700 N 0.12 0.11 0.00 1.05 3.07 -2.01 -1.57 114.58 115.36 3bwt h GLU 700 Ca 0.59 -0.06 -0.17 0.00 -0.50 0.00 0.00 59.36 59.22 3bwt h GLU 700 Cb 2.07 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.95 3bwt h GLU 700 CO -0.11 0.55 -0.98 -0.91 -1.40 0.00 0.00 179.01 176.16 3bwt h ASN 701 N 0.09 0.00 -0.66 1.42 2.35 -0.44 -3.31 115.58 115.04 3bwt h ASN 701 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3bwt h ASN 701 Cb 0.85 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.22 3bwt h ASN 701 CO 0.06 0.74 0.00 2.22 -1.65 0.00 0.00 177.43 178.81 3bwt n PHE 702 N -3.18 0.88 -0.30 1.19 -1.74 -0.57 -4.40 117.46 109.33 3bwt n PHE 702 Ca -0.03 -0.44 0.11 0.00 -0.56 0.00 0.00 57.45 56.53 3bwt n PHE 702 Cb 0.86 0.00 0.27 0.00 1.52 0.00 0.00 39.48 42.14 3bwt n PHE 702 CO 0.00 0.00 0.00 0.37 -0.56 0.00 0.00 176.76 176.57 3bwt h GLN 703 N 4.37 0.48 -0.51 3.97 5.75 -1.38 -2.28 115.11 125.51 3bwt h GLN 703 Ca 0.00 -0.03 0.15 0.00 -0.15 0.00 0.00 58.65 58.62 3bwt h GLN 703 Cb 0.99 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 29.41 3bwt h GLN 703 CO 0.00 0.32 0.38 0.27 -2.65 0.00 0.00 178.83 177.15 3bwt h PHE 704 N 0.49 0.00 -0.17 3.99 -0.00 -1.85 0.74 116.94 120.14 3bwt h PHE 704 Ca 0.52 0.00 -0.08 0.00 -0.00 0.00 0.00 57.97 58.41 3bwt h PHE 704 Cb 0.90 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 36.85 3bwt h PHE 704 CO -0.12 0.00 -0.21 0.82 -0.00 0.00 0.00 178.31 178.81 3bwt h ILE 705 N 0.00 1.34 -0.78 0.88 2.04 -1.75 -0.38 117.51 118.86 3bwt h ILE 705 Ca 0.24 -1.39 -0.02 0.00 1.00 0.00 0.00 64.86 64.69 3bwt h ILE 705 Cb 1.01 1.85 -0.04 0.00 -0.74 0.00 0.00 36.82 38.90 3bwt h ILE 705 CO -0.00 0.42 0.41 -0.26 0.00 0.00 0.00 178.15 178.72 3bwt h PHE 706 N 0.09 1.08 -0.08 1.37 -1.00 -1.02 -1.15 116.94 116.23 3bwt h PHE 706 Ca 0.02 -0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 3bwt h PHE 706 Cb 0.76 -0.34 -0.00 0.00 3.61 0.00 0.00 35.95 39.97 3bwt h PHE 706 CO 0.09 0.76 0.02 -0.44 -1.61 0.00 0.00 178.31 177.13 3bwt h ASP 707 N 1.10 0.13 -0.59 2.17 3.32 -0.86 -0.75 116.42 120.94 3bwt h ASP 707 Ca 0.28 -0.24 -0.03 0.00 0.02 0.00 0.00 57.03 57.05 3bwt h ASP 707 Cb 0.05 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 3bwt h ASP 707 CO -0.04 0.34 0.25 0.00 -1.72 0.00 0.00 179.24 178.06 3bwt h ALA 708 N 0.80 1.27 -0.36 3.45 0.00 -0.90 -2.59 119.26 120.93 3bwt h ALA 708 Ca 0.03 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 3bwt h ALA 708 Cb 0.26 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3bwt h ALA 708 CO 0.00 0.54 -0.12 0.82 0.00 0.00 0.00 179.25 180.50 3bwt h ILE 709 N 0.90 1.28 -1.16 0.00 2.04 -1.10 -2.83 117.51 116.64 3bwt h ILE 709 Ca 0.21 -1.21 0.33 0.00 1.00 0.00 0.00 64.86 65.20 3bwt h ILE 709 Cb 0.17 1.31 -0.06 0.00 -0.74 0.00 0.00 36.82 37.51 3bwt h ILE 709 CO -0.02 0.40 0.82 0.28 0.00 0.00 0.00 178.15 179.63 3bwt h SER 710 N 0.51 0.07 0.26 1.72 0.02 -0.72 -0.99 113.55 114.41 3bwt h SER 710 Ca 0.09 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3bwt h SER 710 Cb 0.64 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.18 3bwt h SER 710 CO 0.04 0.01 -1.57 0.47 -1.14 0.00 0.00 176.83 174.64 3bwt n ASP 711 N -4.26 0.34 -2.31 3.07 8.00 -1.08 -4.26 116.55 116.06 3bwt n ASP 711 Ca 0.25 -0.05 -0.17 0.00 0.71 0.00 0.00 54.79 55.53 3bwt n ASP 711 Cb 1.19 1.43 0.03 0.00 -0.02 0.00 0.00 41.12 43.75 3bwt n ASP 711 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3bwt n SER 712 N -2.23 3.85 -0.00 -2.24 7.64 -0.72 -4.94 113.62 114.98 3bwt n SER 712 Ca -0.02 -3.23 -0.12 0.00 1.01 0.00 0.00 58.87 56.51 3bwt n SER 712 Cb 0.53 -0.40 -0.06 0.00 -1.01 0.00 0.00 64.21 63.27 3bwt n SER 712 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3bwt h ILE 714 N 0.01 0.77 0.00 0.00 6.09 -1.92 0.23 117.51 122.69 3bwt h ILE 714 Ca 0.03 -0.03 -0.09 0.00 -1.37 0.00 0.00 64.86 63.40 3bwt h ILE 714 Cb 0.10 0.79 -0.01 0.00 0.47 0.00 0.00 36.82 38.17 3bwt h ILE 714 CO -0.00 0.01 -0.40 -2.24 -3.07 0.00 0.00 178.15 172.44 3bwt h ASP 715 N -0.34 0.00 0.15 2.19 2.03 -1.94 -0.92 116.42 117.59 3bwt h ASP 715 Ca -0.03 0.00 -0.30 0.00 -0.73 0.00 0.00 57.03 55.97 3bwt h ASP 715 Cb 0.26 0.00 0.03 0.00 -0.83 0.00 0.00 39.33 38.79 3bwt h ASP 715 CO 0.05 0.40 -1.26 0.40 -1.03 0.00 0.00 179.24 177.81 3bwt h ILE 716 N 0.00 1.29 -0.41 4.15 2.04 -1.06 -2.95 117.51 120.57 3bwt h ILE 716 Ca -0.00 -2.49 -0.06 0.00 1.00 0.00 0.00 64.86 63.31 3bwt h ILE 716 Cb 0.75 2.71 -0.02 0.00 -0.74 0.00 0.00 36.82 39.52 3bwt h ILE 716 CO 0.05 0.76 0.02 0.00 0.00 0.00 0.00 178.15 178.97 3bwt h ALA 717 N 0.30 1.26 -0.48 1.87 0.00 -0.39 -2.79 119.26 119.03 3bwt h ALA 717 Ca -0.19 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3bwt h ALA 717 Cb 1.93 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.55 3bwt h ALA 717 CO 0.24 0.50 0.00 0.25 0.00 0.00 0.00 179.25 180.24 3bwt n THR 718 N -4.26 1.89 -4.04 0.00 -2.24 -0.36 -3.56 114.28 101.72 3bwt n THR 718 Ca 0.02 -1.03 -0.34 0.00 -2.27 0.00 0.00 64.05 60.43 3bwt n THR 718 Cb 0.26 -0.19 -0.06 0.00 -2.10 0.00 0.00 70.33 68.24 3bwt n THR 718 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3bwt s HIS 719 N -2.15 3.39 0.28 4.78 5.04 -1.11 -4.65 115.29 120.86 3bwt s HIS 719 Ca 0.42 0.28 0.02 0.00 -1.54 0.00 0.00 55.06 54.24 3bwt s HIS 719 Cb 0.30 -1.79 0.64 0.00 0.04 0.00 0.00 32.58 31.78 3bwt s HIS 719 CO 0.15 0.59 1.74 -0.09 -2.34 0.00 0.00 174.74 174.80 3bwt h ARG 720 N 4.16 0.57 0.00 2.88 2.43 -1.91 -1.28 114.38 121.23 3bwt h ARG 720 Ca -0.50 -0.03 -0.38 0.00 -0.81 0.00 0.00 59.98 58.26 3bwt h ARG 720 Cb 1.19 -0.13 -0.07 0.00 -0.42 0.00 0.00 29.97 30.54 3bwt h ARG 720 CO 0.63 0.38 -2.45 0.72 -1.51 0.00 0.00 179.97 177.74 3bwt n HIS 721 N -4.90 0.00 -0.09 2.20 8.25 -1.26 -4.24 115.22 115.18 3bwt n HIS 721 Ca 0.20 0.00 0.22 0.00 -0.26 0.00 0.00 57.72 57.88 3bwt n HIS 721 Cb 0.54 -0.99 0.67 0.00 1.12 0.00 0.00 29.99 31.33 3bwt n HIS 721 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 3bwt h GLY 722 N 2.35 0.14 2.00 -1.41 0.00 -1.44 0.90 103.07 105.61 3bwt h GLY 722 Ca -0.57 -0.03 -0.10 0.00 0.00 0.00 0.00 47.33 46.63 3bwt h GLY 722 CO -0.07 0.01 -0.46 0.00 0.00 0.00 0.00 176.54 176.02 3bwt h VAL 725 N 0.21 1.28 -0.77 0.00 2.07 -1.16 -1.89 116.25 115.99 3bwt h VAL 725 Ca -0.06 -1.64 0.08 0.00 0.82 0.00 0.00 66.70 65.89 3bwt h VAL 725 Cb 1.53 1.50 -0.07 0.00 -1.52 0.00 0.00 31.29 32.73 3bwt h VAL 725 CO 0.15 0.54 0.43 -0.07 0.02 0.00 0.00 177.57 178.65 3bwt h LEU 726 N 0.70 0.64 -1.00 2.57 4.07 -1.04 -1.84 115.31 119.40 3bwt h LEU 726 Ca 0.04 0.04 -0.10 0.00 0.08 0.00 0.00 57.88 57.94 3bwt h LEU 726 Cb 1.05 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.69 3bwt h LEU 726 CO 0.11 0.39 -0.42 1.56 -1.08 0.00 0.00 178.44 178.99 3bwt h GLN 727 N 0.76 0.15 -0.19 1.13 4.20 -1.18 -2.40 115.11 117.58 3bwt h GLN 727 Ca 0.36 -0.07 -0.10 0.00 0.06 0.00 0.00 58.65 58.89 3bwt h GLN 727 Cb 0.27 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 3bwt h GLN 727 CO -0.22 0.55 -0.33 -0.09 -0.67 0.00 0.00 178.83 178.08 3bwt h ARG 728 N 0.13 0.39 -0.59 1.46 9.65 -0.95 -2.37 114.38 122.08 3bwt h ARG 728 Ca 0.01 -0.16 0.00 0.00 -1.10 0.00 0.00 59.98 58.73 3bwt h ARG 728 Cb 0.81 -0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 29.34 3bwt h ARG 728 CO 0.06 0.67 0.38 0.00 2.80 0.00 0.00 179.97 183.89 3bwt h LEU 730 N 0.80 0.00 -0.06 0.00 3.38 -1.31 0.52 115.31 118.64 3bwt h LEU 730 Ca 0.22 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.93 3bwt h LEU 730 Cb -0.07 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.70 3bwt h LEU 730 CO -0.04 0.00 -0.96 0.44 0.09 0.00 0.00 178.44 177.97 3bwt h ASP 731 N 0.00 0.91 0.00 -0.43 3.32 -0.84 -3.39 116.42 115.99 3bwt h ASP 731 Ca 0.00 -0.68 0.00 0.00 0.02 0.00 0.00 57.03 56.37 3bwt h ASP 731 Cb 0.57 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.85 3bwt h ASP 731 CO 0.00 1.48 -0.37 1.41 -1.72 0.00 0.00 179.24 180.05 3bwt n HIS 732 N -3.87 0.00 -1.77 4.55 8.25 -0.91 -5.04 115.22 116.42 3bwt n HIS 732 Ca -0.10 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 56.96 3bwt n HIS 732 Cb 0.84 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.96 3bwt n HIS 732 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3bwt n GLY 733 N 1.53 1.11 3.58 -1.41 0.00 0.18 -4.93 105.19 105.25 3bwt n GLY 733 Ca 0.00 0.23 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 3bwt n GLY 733 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3bwt n THR 734 N 0.02 3.12 -0.27 2.61 -1.04 -1.26 -4.68 114.28 112.78 3bwt n THR 734 Ca 0.04 -0.50 0.08 0.00 -2.04 0.00 0.00 64.05 61.62 3bwt n THR 734 Cb 0.41 -1.04 0.22 0.00 -1.82 0.00 0.00 70.33 68.10 3bwt n THR 734 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 3bwt h THR 735 N 0.63 0.56 -0.49 12.58 2.02 -1.98 0.50 112.91 126.73 3bwt h THR 735 Ca -0.47 -0.13 -0.02 0.00 0.77 0.00 0.00 66.41 66.56 3bwt h THR 735 Cb 1.37 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 3bwt h THR 735 CO 0.51 0.07 0.22 -0.08 0.37 0.00 0.00 175.52 176.61 3bwt h GLU 736 N 0.38 0.72 0.06 6.66 4.81 -1.99 0.44 114.58 125.67 3bwt h GLU 736 Ca 0.46 -0.12 -0.00 0.00 -0.13 0.00 0.00 59.36 59.56 3bwt h GLU 736 Cb 0.77 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.03 3bwt h GLU 736 CO -0.47 0.63 -0.03 1.96 -0.73 0.00 0.00 179.01 180.36 3bwt h GLN 737 N 0.65 -0.08 -0.30 1.92 4.20 -1.41 -1.54 115.11 118.55 3bwt h GLN 737 Ca 0.17 0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.83 3bwt h GLN 737 Cb 0.16 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 3bwt h GLN 737 CO -0.02 0.09 -0.02 0.00 -0.67 0.00 0.00 178.83 178.21 3bwt h ASP 739 N 0.44 -0.12 -0.57 0.00 5.19 -0.81 0.72 116.42 121.27 3bwt h ASP 739 Ca 0.10 -0.32 0.07 0.00 -0.62 0.00 0.00 57.03 56.25 3bwt h ASP 739 Cb 0.32 0.03 -0.03 0.00 0.18 0.00 0.00 39.33 39.83 3bwt h ASP 739 CO 0.01 0.28 0.38 0.78 -3.12 0.00 0.00 179.24 177.56 3bwt h ASN 740 N -0.54 0.44 -0.10 6.45 2.35 -1.09 0.49 115.58 123.57 3bwt h ASN 740 Ca -0.01 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.66 3bwt h ASN 740 Cb 0.44 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.72 3bwt h ASN 740 CO 0.02 0.28 -0.23 0.25 -1.65 0.00 0.00 177.43 176.10 3bwt h LEU 741 N 0.50 0.39 -1.13 1.61 5.85 -1.17 -3.03 115.31 118.33 3bwt h LEU 741 Ca 0.25 -0.57 -0.07 0.00 0.84 0.00 0.00 57.88 58.32 3bwt h LEU 741 Cb 0.34 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 3bwt h LEU 741 CO -0.07 0.89 -0.16 0.00 -0.34 0.00 0.00 178.44 178.76 3bwt h ASP 743 N 0.40 -0.54 -0.27 0.00 3.32 -0.94 0.49 116.42 118.87 3bwt h ASP 743 Ca 0.07 0.10 0.01 0.00 0.02 0.00 0.00 57.03 57.23 3bwt h ASP 743 Cb 0.51 0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.29 3bwt h ASP 743 CO 0.03 -0.22 0.16 0.11 -1.72 0.00 0.00 179.24 177.60 3bwt h LYS 744 N -0.22 0.32 -0.99 3.56 1.57 -1.30 -1.75 116.57 117.76 3bwt h LYS 744 Ca 0.10 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.89 3bwt h LYS 744 Cb 0.36 -0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.54 3bwt h LYS 744 CO -0.26 0.21 0.65 -0.07 -0.57 0.00 0.00 179.45 179.40 3bwt h LEU 745 N 0.33 1.08 -1.06 2.94 3.38 -0.91 -2.56 115.31 118.51 3bwt h LEU 745 Ca 0.10 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 3bwt h LEU 745 Cb -0.01 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 3bwt h LEU 745 CO -0.05 0.74 -0.31 0.25 0.09 0.00 0.00 178.44 179.17 3bwt h LEU 746 N 1.25 0.29 -0.32 1.67 5.85 0.43 0.82 115.31 125.30 3bwt h LEU 746 Ca 0.39 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 59.01 3bwt h LEU 746 Cb -0.00 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 40.95 3bwt h LEU 746 CO -0.12 0.59 0.00 0.00 -0.34 0.00 0.00 178.44 178.57 3bwt n ALA 747 N -2.48 1.37 -0.50 1.25 0.00 -0.70 -2.77 120.51 116.68 3bwt n ALA 747 Ca -0.01 0.02 0.03 0.00 0.00 0.00 0.00 53.44 53.48 3bwt n ALA 747 Cb 0.41 -1.20 0.04 0.00 0.00 0.00 0.00 19.45 18.70 3bwt n ALA 747 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3bwt n LEU 748 N -1.74 1.80 -0.01 0.00 4.77 0.21 -4.81 117.00 117.22 3bwt n LEU 748 Ca 0.01 -2.06 0.10 0.00 -0.03 0.00 0.00 56.01 54.03 3bwt n LEU 748 Cb 0.11 -0.12 0.52 0.00 -2.33 0.00 0.00 43.42 41.59 3bwt n LEU 748 CO 0.10 0.50 1.17 1.62 -1.33 0.00 0.00 177.39 179.44 3bwt h VAL 749 N 0.64 0.94 0.68 4.08 3.04 -1.17 -1.90 116.25 122.56 3bwt h VAL 749 Ca 0.00 -0.12 -0.03 0.00 -1.01 0.00 0.00 66.70 65.54 3bwt h VAL 749 Cb 0.74 0.56 -0.00 0.00 -2.01 0.00 0.00 31.29 30.57 3bwt h VAL 749 CO 0.00 0.06 -0.39 0.44 -1.01 0.00 0.00 177.57 176.67 3bwt h ASP 750 N 0.35 -0.98 -0.23 3.17 5.19 -1.87 -2.13 116.42 119.93 3bwt h ASP 750 Ca 0.21 0.05 0.03 0.00 -0.62 0.00 0.00 57.03 56.70 3bwt h ASP 750 Cb 0.38 0.28 -0.03 0.00 0.18 0.00 0.00 39.33 40.15 3bwt h ASP 750 CO -0.05 -0.62 0.06 0.11 -3.12 0.00 0.00 179.24 175.61 3bwt h LYS 751 N -1.00 0.15 -0.69 3.56 1.57 -1.82 -3.03 116.57 115.31 3bwt h LYS 751 Ca -0.09 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 3bwt h LYS 751 Cb 0.80 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.04 3bwt h LYS 751 CO 0.10 0.10 0.39 -0.07 -0.57 0.00 0.00 179.45 179.40 3bwt h LEU 752 N 0.15 0.83 -1.02 2.94 3.38 -1.36 -2.90 115.31 117.35 3bwt h LEU 752 Ca 0.10 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 3bwt h LEU 752 Cb 0.09 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 3bwt h LEU 752 CO -0.12 0.66 0.16 0.74 0.09 0.00 0.00 178.44 179.97 3bwt h THR 753 N 0.95 1.23 -0.01 0.22 2.02 -1.25 0.17 112.91 116.24 3bwt h THR 753 Ca 0.24 -0.80 0.00 0.00 0.77 0.00 0.00 66.41 66.63 3bwt h THR 753 Cb 0.00 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 67.03 3bwt h THR 753 CO -0.04 0.30 -0.14 0.18 0.37 0.00 0.00 175.52 176.19 3bwt n LEU 754 N -4.28 0.72 -4.82 2.58 4.77 -1.11 -2.41 117.00 112.46 3bwt n LEU 754 Ca 0.04 -0.13 -0.38 0.00 -0.03 0.00 0.00 56.01 55.52 3bwt n LEU 754 Cb 0.22 -0.14 -0.06 0.00 -2.33 0.00 0.00 43.42 41.11 3bwt n LEU 754 CO 0.40 0.13 0.30 -0.62 -1.33 0.00 0.00 177.39 176.27 3bwt s ASP 755 N -2.41 7.03 0.25 -1.43 -1.08 -0.72 -4.71 116.67 113.59 3bwt s ASP 755 Ca 0.29 1.27 -0.03 0.00 -0.52 0.00 0.00 52.55 53.56 3bwt s ASP 755 Cb 0.20 -2.36 0.50 0.00 -1.46 0.00 0.00 42.92 39.80 3bwt s ASP 755 CO 0.47 0.20 1.71 -0.65 0.52 0.00 0.00 175.17 177.42 3bwt h PRO 756 N 4.13 0.37 0.00 4.34 0.11 -1.91 -2.44 132.00 136.60 3bwt h PRO 756 Ca -0.49 -0.02 -0.29 0.00 0.11 0.00 0.00 66.00 65.31 3bwt h PRO 756 Cb 1.21 -0.08 -0.05 0.00 0.11 0.00 0.00 31.00 32.18 3bwt h PRO 756 CO 0.64 0.25 -2.09 1.19 -0.21 0.00 0.00 178.00 177.78 3bwt n PHE 757 N -5.06 0.00 -0.01 0.65 3.72 -1.26 -4.50 117.46 111.00 3bwt n PHE 757 Ca 0.15 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.56 3bwt n PHE 757 Cb 0.46 -0.78 0.33 0.00 -0.94 0.00 0.00 39.48 38.56 3bwt n PHE 757 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3bwt h GLY 758 N 2.98 0.59 2.00 1.37 0.00 -1.60 -2.47 103.07 105.94 3bwt h GLY 758 Ca -0.43 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 46.59 3bwt h GLY 758 CO 0.02 0.29 -0.05 3.45 0.00 0.00 0.00 176.54 180.24 3bwt h ASN 759 N 0.54 0.00 0.31 0.19 7.08 -0.18 -1.43 115.58 122.09 3bwt h ASN 759 Ca 0.13 0.00 -0.19 0.00 -3.08 0.00 0.00 56.30 53.16 3bwt h ASN 759 Cb 0.20 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 36.43 3bwt h ASN 759 CO -0.01 0.05 -0.76 1.88 -2.08 0.00 0.00 177.43 176.51 3bwt h TYR 760 N 0.00 0.51 -0.49 4.14 0.05 -1.70 -2.28 116.97 117.21 3bwt h TYR 760 Ca -0.00 -0.24 -0.03 0.00 0.05 0.00 0.00 58.73 58.51 3bwt h TYR 760 Cb 0.11 -0.08 -0.02 0.00 1.01 0.00 0.00 36.73 37.76 3bwt h TYR 760 CO 0.00 1.00 0.19 0.28 -1.05 0.00 0.00 178.16 178.58 3bwt h VAL 761 N 0.25 1.21 -0.71 -2.88 2.07 -1.33 -0.36 116.25 114.50 3bwt h VAL 761 Ca -0.04 -0.67 -0.03 0.00 0.82 0.00 0.00 66.70 66.78 3bwt h VAL 761 Cb 1.35 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.82 3bwt h VAL 761 CO 0.13 0.25 0.31 0.58 0.02 0.00 0.00 177.57 178.86 3bwt h VAL 762 N 0.65 1.23 -0.37 2.57 2.07 -1.37 -2.05 116.25 118.98 3bwt h VAL 762 Ca 0.16 -0.70 -0.11 0.00 0.82 0.00 0.00 66.70 66.87 3bwt h VAL 762 Cb 0.21 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 3bwt h VAL 762 CO -0.01 0.29 -0.23 1.56 0.02 0.00 0.00 177.57 179.20 3bwt h GLN 763 N 1.02 0.74 -0.14 1.57 4.20 -1.19 -3.23 115.11 118.08 3bwt h GLN 763 Ca 0.24 -0.29 -0.10 0.00 0.06 0.00 0.00 58.65 58.56 3bwt h GLN 763 Cb 0.15 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 3bwt h GLN 763 CO -0.03 0.90 -0.36 -0.92 -0.67 0.00 0.00 178.83 177.75 3bwt h TYR 764 N 0.64 0.34 -0.57 2.96 3.20 -0.36 -0.06 116.97 123.12 3bwt h TYR 764 Ca 0.09 -0.08 0.04 0.00 3.14 0.00 0.00 58.73 61.92 3bwt h TYR 764 Cb 0.72 -0.08 -0.05 0.00 1.54 0.00 0.00 36.73 38.87 3bwt h TYR 764 CO 0.04 0.62 0.32 0.82 -1.64 0.00 0.00 178.16 178.32 3bwt h ILE 765 N 0.25 0.99 -0.15 1.81 2.04 -1.48 0.14 117.51 121.12 3bwt h ILE 765 Ca 0.03 -0.21 -0.06 0.00 1.00 0.00 0.00 64.86 65.62 3bwt h ILE 765 Cb 0.76 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 37.17 3bwt h ILE 765 CO 0.06 0.11 -0.13 0.40 0.00 0.00 0.00 178.15 178.59 3bwt h ILE 766 N 0.61 1.34 -0.75 -0.67 2.04 -1.44 -1.80 117.51 116.84 3bwt h ILE 766 Ca 0.25 -1.28 0.17 0.00 1.00 0.00 0.00 64.86 65.00 3bwt h ILE 766 Cb 0.12 1.85 -0.13 0.00 -0.74 0.00 0.00 36.82 37.92 3bwt h ILE 766 CO -0.15 0.38 0.04 0.74 0.00 0.00 0.00 178.15 179.16 3bwt h THR 767 N -0.01 0.38 -0.03 -0.27 2.02 -0.72 0.11 112.91 114.39 3bwt h THR 767 Ca 0.03 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 3bwt h THR 767 Cb 0.66 0.23 -0.00 0.00 -1.74 0.00 0.00 68.15 67.30 3bwt h THR 767 CO 0.03 0.02 -0.03 0.11 0.37 0.00 0.00 175.52 176.03 3bwt h LYS 768 N 0.13 0.07 -0.75 6.66 1.79 -0.82 -1.69 116.57 121.95 3bwt h LYS 768 Ca 0.41 -0.04 0.03 0.00 -2.18 0.00 0.00 60.65 58.88 3bwt h LYS 768 Cb 0.73 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.34 3bwt h LYS 768 CO -0.63 0.53 0.50 0.93 -1.08 0.00 0.00 179.45 179.69 3bwt h GLU 769 N -0.38 0.90 -0.27 3.15 5.08 -1.03 -1.78 114.58 120.26 3bwt h GLU 769 Ca 0.01 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.22 3bwt h GLU 769 Cb 0.51 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 3bwt h GLU 769 CO 0.01 0.60 -0.24 0.00 -1.00 0.00 0.00 179.01 178.38 3bwt h ALA 770 N 1.56 1.10 -0.55 3.43 0.00 -0.63 -1.45 119.26 122.72 3bwt h ALA 770 Ca 0.30 -0.34 0.09 0.00 0.00 0.00 0.00 54.91 54.96 3bwt h ALA 770 Cb 0.04 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.64 3bwt h ALA 770 CO -0.09 0.56 0.18 0.93 0.00 0.00 0.00 179.25 180.83 3bwt h GLU 771 N 0.45 0.34 0.00 0.00 5.08 -0.41 -2.76 114.58 117.27 3bwt h GLU 771 Ca 0.07 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3bwt h GLU 771 Cb 0.65 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.83 3bwt h GLU 771 CO 0.05 0.22 -0.45 1.63 -1.00 0.00 0.00 179.01 179.46 3bwt n LYS 772 N -5.03 0.26 -1.93 2.33 5.02 -0.99 -4.93 118.16 112.89 3bwt n LYS 772 Ca 0.07 0.11 -0.16 0.00 -2.02 0.00 0.00 58.31 56.32 3bwt n LYS 772 Cb 0.25 -1.70 -0.03 0.00 -0.02 0.00 0.00 35.03 33.53 3bwt n LYS 772 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3bwt n ASN 773 N -2.10 -4.75 -3.97 4.39 4.13 -0.58 -4.99 115.26 107.39 3bwt n ASN 773 Ca 0.04 0.16 -0.30 0.00 1.68 0.00 0.00 54.58 56.16 3bwt n ASN 773 Cb 0.43 -3.77 -0.16 0.00 -1.54 0.00 0.00 39.78 34.74 3bwt n ASN 773 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 3bwt s LYS 774 N -4.14 1.88 -0.21 3.52 2.20 -1.12 -5.05 119.74 116.81 3bwt s LYS 774 Ca 0.00 -0.74 -0.05 0.00 -0.36 0.00 0.00 55.97 54.82 3bwt s LYS 774 Cb 0.00 -2.30 -0.02 0.00 -1.51 0.00 0.00 37.83 34.01 3bwt s LYS 774 CO 0.00 -0.42 -0.01 0.71 -0.36 0.00 0.00 175.35 175.27 3bwt s TYR 775 N 1.46 3.00 0.00 4.03 1.51 -1.26 -4.70 117.35 121.39 3bwt s TYR 775 Ca -0.00 -0.64 0.00 0.00 -1.01 0.00 0.00 57.07 55.41 3bwt s TYR 775 Cb -0.16 -2.10 0.00 0.00 -0.11 0.00 0.00 41.96 39.59 3bwt s TYR 775 CO -0.08 -0.37 0.00 -3.47 -1.11 0.00 0.00 175.55 170.52 3bwt n ASP 776 N 4.51 0.00 0.18 2.29 -0.08 -1.26 -4.83 116.55 117.36 3bwt n ASP 776 Ca -0.17 0.00 0.05 0.00 -1.51 0.00 0.00 54.79 53.16 3bwt n ASP 776 Cb 0.51 0.00 0.30 0.00 2.34 0.00 0.00 41.12 44.28 3bwt n ASP 776 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 3bwt h TYR 777 N 0.00 0.00 -0.28 -0.67 0.05 -1.94 -2.74 116.97 111.39 3bwt h TYR 777 Ca 0.00 0.00 0.06 0.00 0.05 0.00 0.00 58.73 58.84 3bwt h TYR 777 Cb 0.00 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 37.68 3bwt h TYR 777 CO 0.00 0.40 -0.13 1.15 -1.05 0.00 0.00 178.16 178.53 3bwt h THR 778 N 0.00 0.60 -0.71 -2.88 2.02 -1.90 0.16 112.91 110.19 3bwt h THR 778 Ca -0.00 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.12 3bwt h THR 778 Cb 0.95 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 67.93 3bwt h THR 778 CO 0.05 0.00 0.21 0.45 0.37 0.00 0.00 175.52 176.61 3bwt h HIS 779 N -0.09 1.14 -0.30 3.16 3.86 -1.81 -1.02 115.15 120.08 3bwt h HIS 779 Ca 0.15 -0.11 -0.11 0.00 -1.16 0.00 0.00 60.37 59.13 3bwt h HIS 779 Cb 0.31 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.43 3bwt h HIS 779 CO -0.32 0.91 -0.27 0.87 0.86 0.00 0.00 177.93 179.97 3bwt h LYS 780 N 1.06 0.61 0.24 2.45 1.57 -1.21 -1.18 116.57 120.12 3bwt h LYS 780 Ca 0.23 -0.25 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3bwt h LYS 780 Cb 0.31 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.59 3bwt h LYS 780 CO -0.01 0.82 -0.12 0.82 -0.57 0.00 0.00 179.45 180.40 3bwt h ILE 781 N 0.53 0.82 -0.60 1.86 2.04 -0.43 -2.78 117.51 118.95 3bwt h ILE 781 Ca 0.07 -0.50 0.11 0.00 1.00 0.00 0.00 64.86 65.54 3bwt h ILE 781 Cb 0.75 1.10 -0.08 0.00 -0.74 0.00 0.00 36.82 37.84 3bwt h ILE 781 CO 0.06 0.11 0.17 0.58 0.00 0.00 0.00 178.15 179.07 3bwt h VAL 782 N -0.59 0.70 -0.76 1.67 2.07 -1.10 0.25 116.25 118.48 3bwt h VAL 782 Ca -0.03 -0.11 0.14 0.00 0.82 0.00 0.00 66.70 67.51 3bwt h VAL 782 Cb 0.43 0.34 -0.05 0.00 -1.52 0.00 0.00 31.29 30.49 3bwt h VAL 782 CO 0.06 0.06 0.50 -0.74 0.02 0.00 0.00 177.57 177.47 3bwt h HIS 783 N 0.32 0.55 0.06 1.57 -0.00 -1.17 0.35 115.15 116.83 3bwt h HIS 783 Ca 0.31 0.02 -0.27 0.00 -0.00 0.00 0.00 60.37 60.43 3bwt h HIS 783 Cb 0.44 -0.17 -0.02 0.00 -0.00 0.00 0.00 27.41 27.65 3bwt h HIS 783 CO -0.21 0.22 -1.38 -0.07 -0.00 0.00 0.00 177.93 176.48 3bwt h LEU 784 N 0.48 0.19 0.00 0.26 3.38 -0.71 -3.39 115.31 115.52 3bwt h LEU 784 Ca 0.37 -0.26 -0.11 0.00 0.09 0.00 0.00 57.88 57.97 3bwt h LEU 784 Cb 0.76 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 3bwt h LEU 784 CO -0.13 1.22 -1.93 0.18 0.09 0.00 0.00 178.44 177.87 3bwt n LEU 785 N -3.34 0.18 -0.24 1.67 4.77 -0.52 -4.44 117.00 115.07 3bwt n LEU 785 Ca -0.11 0.08 0.04 0.00 -0.03 0.00 0.00 56.01 55.98 3bwt n LEU 785 Cb 1.01 0.13 0.16 0.00 -2.33 0.00 0.00 43.42 42.39 3bwt n LEU 785 CO 0.48 0.12 1.00 0.50 -1.33 0.00 0.00 177.39 178.17 3bwt h LYS 786 N 0.00 0.40 0.00 3.23 3.64 -1.13 -0.38 116.57 122.34 3bwt h LYS 786 Ca -0.15 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 3bwt h LYS 786 Cb 1.38 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 3bwt h LYS 786 CO 0.01 0.27 0.00 -2.30 -2.27 0.00 0.00 179.45 175.16 3bwt n PRO 787 N -5.02 0.00 -0.38 1.90 -0.02 -1.26 -0.85 135.00 129.37 3bwt n PRO 787 Ca 0.13 0.05 0.04 0.00 -2.02 0.00 0.00 63.50 61.70 3bwt n PRO 787 Cb 0.38 -1.50 0.06 0.00 -0.02 0.00 0.00 33.50 32.42 3bwt n PRO 787 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3bwt n ARG 788 N -1.04 0.57 -0.25 -0.52 1.74 -0.16 -4.90 116.66 112.10 3bwt n ARG 788 Ca 0.00 -1.77 0.03 0.00 -0.77 0.00 0.00 57.85 55.35 3bwt n ARG 788 Cb 0.00 -0.92 0.13 0.00 -1.02 0.00 0.00 32.46 30.65 3bwt n ARG 788 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3bwt h ALA 789 N 0.09 0.66 -0.05 7.54 0.00 -0.93 0.99 119.26 127.57 3bwt h ALA 789 Ca -0.01 0.25 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 3bwt h ALA 789 Cb 1.25 0.46 -0.00 0.00 0.00 0.00 0.00 17.79 19.49 3bwt h ALA 789 CO 0.00 -0.42 -0.03 0.82 0.00 0.00 0.00 179.25 179.62 3bwt h ILE 790 N 0.06 1.35 -0.68 0.00 1.08 -1.91 -1.04 117.51 116.38 3bwt h ILE 790 Ca 0.38 -1.10 0.09 0.00 -0.39 0.00 0.00 64.86 63.84 3bwt h ILE 790 Cb 0.64 1.99 -0.07 0.00 -3.07 0.00 0.00 36.82 36.32 3bwt h ILE 790 CO -0.68 0.30 0.33 -0.08 -0.69 0.00 0.00 178.15 177.32 3bwt h GLU 791 N -0.32 0.55 0.00 2.37 4.81 -1.46 -0.45 114.58 120.08 3bwt h GLU 791 Ca 0.01 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 3bwt h GLU 791 Cb 0.49 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.75 3bwt h GLU 791 CO 0.01 0.36 -0.14 -0.07 -0.73 0.00 0.00 179.01 178.45 3bwt h LEU 792 N 0.56 0.00 -1.37 1.64 3.38 -0.92 -3.17 115.31 115.44 3bwt h LEU 792 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.30 3bwt h LEU 792 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3bwt h LEU 792 CO -0.27 0.14 0.00 0.28 0.09 0.00 0.00 178.44 178.68 3bwt h SER 793 N 0.00 0.00 -0.30 -0.43 0.02 0.31 0.16 113.55 113.31 3bwt h SER 793 Ca -0.00 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 3bwt h SER 793 Cb 0.99 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.49 3bwt h SER 793 CO 0.02 0.00 -0.00 2.30 -1.14 0.00 0.00 176.83 178.00 3bwt n ILE 794 N -3.04 2.38 -4.45 3.27 -5.35 -1.07 -1.76 119.36 109.35 3bwt n ILE 794 Ca 0.01 -2.15 -0.34 0.00 -0.27 0.00 0.00 62.75 60.00 3bwt n ILE 794 Cb 0.31 -0.28 -0.11 0.00 -1.74 0.00 0.00 39.64 37.81 3bwt n ILE 794 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 3bwt s HIS 795 N -2.97 3.03 0.31 4.28 2.46 -1.06 -4.83 115.29 116.50 3bwt s HIS 795 Ca 0.43 -0.15 0.05 0.00 0.47 0.00 0.00 55.06 55.87 3bwt s HIS 795 Cb 0.36 -1.88 0.84 0.00 -0.13 0.00 0.00 32.58 31.77 3bwt s HIS 795 CO 0.06 0.12 1.62 0.87 -2.47 0.00 0.00 174.74 174.94 3bwt h LYS 796 N 6.14 0.13 0.00 2.88 1.57 -1.93 -1.90 116.57 123.47 3bwt h LYS 796 Ca -0.38 -0.01 -0.18 0.00 -1.87 0.00 0.00 60.65 58.21 3bwt h LYS 796 Cb 1.19 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.43 3bwt h LYS 796 CO 0.59 0.09 -1.69 1.19 -0.57 0.00 0.00 179.45 179.06 3bwt n PHE 797 N -5.29 0.00 -0.21 -1.35 3.72 -1.26 -4.51 117.46 108.56 3bwt n PHE 797 Ca 0.25 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.77 3bwt n PHE 797 Cb 0.81 -0.47 0.42 0.00 -0.94 0.00 0.00 39.48 39.29 3bwt n PHE 797 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3bwt h GLY 798 N 1.21 0.97 2.00 1.37 0.00 -1.48 -1.28 103.07 105.87 3bwt h GLY 798 Ca -0.27 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 46.79 3bwt h GLY 798 CO -0.03 0.11 -0.06 1.48 0.00 0.00 0.00 176.54 178.04 3bwt h SER 799 N 0.61 0.00 -0.63 0.19 4.64 -0.11 -1.91 113.55 116.34 3bwt h SER 799 Ca 0.39 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.63 3bwt h SER 799 Cb 0.66 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.73 3bwt h SER 799 CO -0.15 0.06 0.07 0.78 -0.87 0.00 0.00 176.83 176.71 3bwt h ASN 800 N 0.00 1.03 -0.11 4.97 -0.26 -1.47 -1.71 115.58 118.03 3bwt h ASN 800 Ca -0.00 -0.26 -0.08 0.00 -0.56 0.00 0.00 56.30 55.40 3bwt h ASN 800 Cb 0.29 -0.27 0.00 0.00 -1.06 0.00 0.00 38.32 37.27 3bwt h ASN 800 CO 0.01 1.04 -0.24 0.58 -1.06 0.00 0.00 177.43 177.76 3bwt h VAL 801 N 0.99 1.39 -0.23 2.81 2.07 -1.45 -1.75 116.25 120.08 3bwt h VAL 801 Ca 0.19 -1.53 0.05 0.00 0.82 0.00 0.00 66.70 66.23 3bwt h VAL 801 Cb 0.47 2.10 -0.05 0.00 -1.52 0.00 0.00 31.29 32.30 3bwt h VAL 801 CO 0.02 0.45 -0.06 0.40 0.02 0.00 0.00 177.57 178.39 3bwt h ILE 802 N -0.07 0.76 -1.00 4.57 1.08 -1.36 -0.60 117.51 120.89 3bwt h ILE 802 Ca 0.00 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.57 3bwt h ILE 802 Cb 0.84 0.76 -0.08 0.00 -3.07 0.00 0.00 36.82 35.26 3bwt h ILE 802 CO 0.05 0.00 0.63 -0.33 -0.69 0.00 0.00 178.15 177.82 3bwt h GLU 803 N -0.01 1.04 -0.45 2.37 5.08 -1.36 0.10 114.58 121.35 3bwt h GLU 803 Ca 0.11 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.42 3bwt h GLU 803 Cb 0.18 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 3bwt h GLU 803 CO -0.24 0.69 0.29 -0.22 -1.00 0.00 0.00 179.01 178.52 3bwt h LYS 804 N 1.07 0.57 -0.40 2.33 1.63 -0.25 -0.62 116.57 120.90 3bwt h LYS 804 Ca 0.47 -0.03 -0.05 0.00 -0.85 0.00 0.00 60.65 60.18 3bwt h LYS 804 Cb 0.34 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 31.83 3bwt h LYS 804 CO -0.22 0.37 0.04 0.82 -3.45 0.00 0.00 179.45 177.01 3bwt h ILE 805 N 0.58 1.25 -0.04 2.00 2.04 -0.65 -2.33 117.51 120.37 3bwt h ILE 805 Ca 0.17 -0.93 0.01 0.00 1.00 0.00 0.00 64.86 65.11 3bwt h ILE 805 Cb -0.05 1.08 -0.00 0.00 -0.74 0.00 0.00 36.82 37.11 3bwt h ILE 805 CO -0.05 0.32 0.06 -0.07 0.00 0.00 0.00 178.15 178.41 3bwt h LEU 806 N 0.51 0.00 -2.37 1.44 3.38 -0.42 -0.82 115.31 117.03 3bwt h LEU 806 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3bwt h LEU 806 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3bwt h LEU 806 CO 0.01 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.83 3bwt n LYS 807 N -3.61 2.46 -3.44 1.13 5.02 -0.27 -4.64 118.16 114.81 3bwt n LYS 807 Ca -0.02 -2.27 -0.43 0.00 -2.02 0.00 0.00 58.31 53.57 3bwt n LYS 807 Cb 0.15 -1.49 -0.07 0.00 -0.02 0.00 0.00 35.03 33.60 3bwt n LYS 807 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3bwt s THR 808 N -1.38 4.68 0.30 -0.18 2.01 -0.31 -4.99 115.64 115.76 3bwt s THR 808 Ca 0.38 -1.65 -0.01 0.00 0.31 0.00 0.00 61.69 60.71 3bwt s THR 808 Cb 0.22 -4.04 0.42 0.00 0.01 0.00 0.00 72.50 69.11 3bwt s THR 808 CO 0.30 -0.82 1.53 0.00 -0.69 0.00 0.00 174.62 174.94 3bwt n ALA 809 N 5.07 0.42 0.77 7.40 0.00 -1.26 -0.08 120.51 132.82 3bwt n ALA 809 Ca -0.11 1.06 0.10 0.00 0.00 0.00 0.00 53.44 54.49 3bwt n ALA 809 Cb 0.40 -0.73 0.45 0.00 0.00 0.00 0.00 19.45 19.57 3bwt n ALA 809 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3bwt n ILE 810 N -5.50 0.56 -0.11 0.00 -5.35 -1.26 -2.79 119.36 104.91 3bwt n ILE 810 Ca 0.21 0.14 0.00 0.00 -0.27 0.00 0.00 62.75 62.83 3bwt n ILE 810 Cb 0.67 -0.80 0.00 0.00 -1.74 0.00 0.00 39.64 37.77 3bwt n ILE 810 CO 0.00 0.00 0.00 1.33 -1.76 0.00 0.00 176.55 176.12 3bwt n VAL 811 N -1.43 0.00 -0.17 7.28 0.24 0.88 -4.80 118.33 120.33 3bwt n VAL 811 Ca 0.06 -0.43 -0.10 0.00 -2.04 0.00 0.00 64.34 61.83 3bwt n VAL 811 Cb 0.21 1.11 -0.06 0.00 -1.47 0.00 0.00 33.84 33.63 3bwt n VAL 811 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 3bwt h SER 812 N 0.00 -1.60 -0.14 -1.34 0.02 -1.07 -3.19 113.55 106.23 3bwt h SER 812 Ca 0.00 0.24 -0.21 0.00 -0.84 0.00 0.00 61.79 60.98 3bwt h SER 812 Cb 0.05 0.70 0.01 0.00 0.14 0.00 0.00 62.40 63.30 3bwt h SER 812 CO 0.00 -0.36 -0.71 -0.33 -1.14 0.00 0.00 176.83 174.29 3bwt h GLU 813 N -0.30 0.78 -0.87 3.45 5.08 -1.87 -1.41 114.58 119.45 3bwt h GLU 813 Ca 0.14 -0.59 0.12 0.00 -1.00 0.00 0.00 59.36 58.03 3bwt h GLU 813 Cb 0.58 0.11 -0.08 0.00 0.50 0.00 0.00 28.75 29.85 3bwt h GLU 813 CO -0.64 1.21 0.49 -1.35 -1.00 0.00 0.00 179.01 177.71 3bwt h PRO 814 N 0.55 0.73 -0.11 2.33 0.11 -1.91 0.15 132.00 133.86 3bwt h PRO 814 Ca -0.03 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.01 3bwt h PRO 814 Cb 1.32 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 3bwt h PRO 814 CO 0.15 0.48 -0.03 1.98 -0.21 0.00 0.00 178.00 180.37 3bwt h MET 815 N 0.75 0.21 -0.90 1.05 4.05 -1.43 -1.14 114.93 117.53 3bwt h MET 815 Ca 0.45 -0.08 0.08 0.00 -0.28 0.00 0.00 59.70 59.87 3bwt h MET 815 Cb 0.52 -0.01 -0.06 0.00 -0.80 0.00 0.00 31.60 31.25 3bwt h MET 815 CO -0.30 0.51 0.58 0.82 0.23 0.00 0.00 176.91 178.75 3bwt h ILE 816 N -0.12 1.01 -0.32 1.77 2.04 -1.01 -1.40 117.51 119.47 3bwt h ILE 816 Ca 0.03 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 3bwt h ILE 816 Cb 0.44 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 3bwt h ILE 816 CO 0.01 0.17 0.16 -0.07 0.00 0.00 0.00 178.15 178.42 3bwt h LEU 817 N 0.94 0.42 -0.15 1.44 3.38 -0.44 -0.38 115.31 120.52 3bwt h LEU 817 Ca 0.40 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 58.27 3bwt h LEU 817 Cb 0.32 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3bwt h LEU 817 CO -0.16 0.43 0.04 -0.08 0.09 0.00 0.00 178.44 178.75 3bwt h GLU 818 N 0.39 0.10 -0.84 1.13 4.57 -0.50 0.25 114.58 119.68 3bwt h GLU 818 Ca 0.11 -0.01 0.09 0.00 -1.18 0.00 0.00 59.36 58.38 3bwt h GLU 818 Cb 0.12 -0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 28.61 3bwt h GLU 818 CO -0.01 0.07 0.49 0.82 -1.18 0.00 0.00 179.01 179.19 3bwt h ILE 819 N 0.11 0.93 -0.52 2.32 2.04 -1.14 0.33 117.51 121.57 3bwt h ILE 819 Ca 0.07 -0.28 -0.12 0.00 1.00 0.00 0.00 64.86 65.52 3bwt h ILE 819 Cb 0.05 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.14 3bwt h ILE 819 CO -0.08 0.15 -0.16 -0.07 0.00 0.00 0.00 178.15 177.98 3bwt h LEU 820 N 0.83 1.04 0.00 1.44 3.38 -0.37 -2.94 115.31 118.69 3bwt h LEU 820 Ca 0.40 -0.37 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 3bwt h LEU 820 Cb 0.35 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3bwt h LEU 820 CO -0.24 1.18 -1.06 0.59 0.09 0.00 0.00 178.44 178.99 3bwt n ASN 821 N -4.13 1.86 -0.10 -0.43 3.02 0.82 -3.14 115.26 113.18 3bwt n ASN 821 Ca 0.01 0.49 0.14 0.00 -0.03 0.00 0.00 54.58 55.18 3bwt n ASN 821 Cb 0.43 -0.87 0.53 0.00 -0.61 0.00 0.00 39.78 39.27 3bwt n ASN 821 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3bwt n ASN 822 N -4.49 0.47 -0.11 6.41 3.02 0.06 -4.00 115.26 116.63 3bwt n ASN 822 Ca -0.21 -0.41 -0.20 0.00 -0.03 0.00 0.00 54.58 53.72 3bwt n ASN 822 Cb 0.50 -0.06 -0.09 0.00 -0.61 0.00 0.00 39.78 39.53 3bwt n ASN 822 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3bwt n GLY 823 N 1.35 -0.71 7.00 7.41 0.00 -1.11 -4.90 105.19 114.23 3bwt n GLY 823 Ca 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3bwt n GLY 823 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bwt n GLY 824 N 1.41 0.32 0.28 -0.02 0.00 -1.15 -0.20 105.19 105.83 3bwt n GLY 824 Ca -0.33 -0.90 -0.02 0.00 0.00 0.00 0.00 46.02 44.76 3bwt n GLY 824 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3bwt h GLU 825 N 0.00 0.69 0.37 1.61 4.81 -1.93 0.51 114.58 120.64 3bwt h GLU 825 Ca 0.00 -0.16 -0.02 0.00 -0.13 0.00 0.00 59.36 59.05 3bwt h GLU 825 Cb 0.00 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.29 3bwt h GLU 825 CO 0.00 0.69 -0.18 1.15 -0.73 0.00 0.00 179.01 179.94 3bwt h THR 826 N 0.66 0.65 -0.33 0.32 2.02 -1.99 0.19 112.91 114.43 3bwt h THR 826 Ca 0.14 -0.22 0.01 0.00 0.77 0.00 0.00 66.41 67.11 3bwt h THR 826 Cb 0.36 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 3bwt h THR 826 CO 0.01 0.04 0.20 1.23 0.37 0.00 0.00 175.52 177.37 3bwt h GLY 827 N -0.61 0.46 1.22 2.16 0.00 -0.42 0.05 103.07 105.93 3bwt h GLY 827 Ca -0.05 -0.15 -0.05 0.00 0.00 0.00 0.00 47.33 47.08 3bwt h GLY 827 CO 0.08 0.13 0.19 -2.22 0.00 0.00 0.00 176.54 174.73 3bwt h ILE 828 N 0.40 1.24 -0.27 2.60 2.04 -0.86 -0.19 117.51 122.48 3bwt h ILE 828 Ca 0.13 -0.84 -0.07 0.00 1.00 0.00 0.00 64.86 65.08 3bwt h ILE 828 Cb -0.00 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 3bwt h ILE 828 CO -0.06 0.32 -0.14 -0.61 0.00 0.00 0.00 178.15 177.66 3bwt h GLN 829 N 0.94 0.45 -0.43 2.37 4.15 -0.29 0.10 115.11 122.41 3bwt h GLN 829 Ca 0.21 -0.13 -0.01 0.00 0.77 0.00 0.00 58.65 59.48 3bwt h GLN 829 Cb 0.28 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.90 3bwt h GLN 829 CO -0.01 0.59 0.22 0.77 -1.93 0.00 0.00 178.83 178.47 3bwt h SER 830 N 0.42 0.55 0.39 -0.69 0.02 0.05 -2.37 113.55 111.91 3bwt h SER 830 Ca 0.08 -0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 3bwt h SER 830 Cb 0.50 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.90 3bwt h SER 830 CO 0.03 0.50 -0.19 -0.07 -1.14 0.00 0.00 176.83 175.97 3bwt h LEU 831 N 0.55 -0.44 -1.76 5.07 4.07 -0.45 -2.14 115.31 120.21 3bwt h LEU 831 Ca 0.15 -0.06 0.37 0.00 0.08 0.00 0.00 57.88 58.42 3bwt h LEU 831 Cb 0.09 0.11 -0.07 0.00 1.08 0.00 0.00 40.66 41.87 3bwt h LEU 831 CO -0.02 -0.21 0.88 0.25 -1.08 0.00 0.00 178.44 178.26 3bwt h LEU 832 N -0.65 0.14 -2.31 1.67 5.85 -0.78 -0.15 115.31 119.08 3bwt h LEU 832 Ca -0.05 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3bwt h LEU 832 Cb 0.47 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.52 3bwt h LEU 832 CO 0.09 -0.01 0.00 0.59 -0.34 0.00 0.00 178.44 178.77 3bwt n ASN 833 N -4.33 2.96 -4.81 1.25 3.02 -0.90 -4.70 115.26 107.75 3bwt n ASN 833 Ca 0.30 -1.87 -0.33 0.00 -0.03 0.00 0.00 54.58 52.64 3bwt n ASN 833 Cb 1.28 -0.20 -0.07 0.00 -0.61 0.00 0.00 39.78 40.19 3bwt n ASN 833 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3bwt s ASP 834 N -1.18 5.88 0.57 6.41 2.15 -0.66 -4.98 116.67 124.86 3bwt s ASP 834 Ca 0.28 0.22 0.28 0.00 0.43 0.00 0.00 52.55 53.76 3bwt s ASP 834 Cb 0.16 -1.74 1.49 0.00 -0.30 0.00 0.00 42.92 42.53 3bwt s ASP 834 CO 0.23 0.29 1.99 0.28 -0.17 0.00 0.00 175.17 177.78 3bwt h SER 835 N 4.15 0.00 0.00 -0.34 0.02 -1.91 -2.72 113.55 112.75 3bwt h SER 835 Ca -0.50 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.35 3bwt h SER 835 Cb 1.19 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.71 3bwt h SER 835 CO 0.63 0.00 -1.10 -1.22 -1.14 0.00 0.00 176.83 174.00 3bwt n TYR 836 N -4.00 0.00 0.22 3.45 4.01 -1.26 -4.66 117.16 114.92 3bwt n TYR 836 Ca 0.07 0.00 0.18 0.00 -0.16 0.00 0.00 57.90 57.99 3bwt n TYR 836 Cb 0.57 -0.29 0.85 0.00 -0.31 0.00 0.00 39.34 40.15 3bwt n TYR 836 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3bwt h GLY 837 N -0.36 0.00 0.16 2.72 0.00 -1.44 -2.12 103.07 102.03 3bwt h GLY 837 Ca -0.16 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.21 3bwt h GLY 837 CO -0.10 0.00 -0.37 -0.57 0.00 0.00 0.00 176.54 175.50 3bwt h ASN 838 N 0.00 -1.14 -0.99 0.19 -1.24 -0.73 0.51 115.58 112.18 3bwt h ASN 838 Ca 0.08 0.15 0.05 0.00 0.71 0.00 0.00 56.30 57.29 3bwt h ASN 838 Cb 0.51 0.46 -0.06 0.00 0.73 0.00 0.00 38.32 39.96 3bwt h ASN 838 CO -0.00 -0.41 0.65 1.88 -1.29 0.00 0.00 177.43 178.25 3bwt h TYR 839 N -0.49 1.20 -0.70 0.67 0.05 -1.66 0.74 116.97 116.78 3bwt h TYR 839 Ca 0.07 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.85 3bwt h TYR 839 Cb 0.60 -0.40 -0.03 0.00 1.01 0.00 0.00 36.73 37.91 3bwt h TYR 839 CO -0.41 0.66 0.31 0.28 -1.05 0.00 0.00 178.16 177.94 3bwt h VAL 840 N 1.21 1.24 -0.78 -2.88 2.07 -1.40 0.64 116.25 116.35 3bwt h VAL 840 Ca 0.41 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 3bwt h VAL 840 Cb 0.09 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.23 3bwt h VAL 840 CO -0.15 0.29 0.45 0.25 0.02 0.00 0.00 177.57 178.43 3bwt h LEU 841 N 0.98 0.96 -0.80 2.57 5.85 0.12 0.20 115.31 125.19 3bwt h LEU 841 Ca 0.24 -0.08 -0.12 0.00 0.84 0.00 0.00 57.88 58.75 3bwt h LEU 841 Cb 0.16 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 3bwt h LEU 841 CO -0.02 0.76 -0.40 -0.61 -0.34 0.00 0.00 178.44 177.82 3bwt h GLN 842 N 1.07 0.42 -0.54 1.25 4.15 -0.46 -1.78 115.11 119.22 3bwt h GLN 842 Ca 0.28 -0.21 -0.05 0.00 0.77 0.00 0.00 58.65 59.44 3bwt h GLN 842 Cb 0.00 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.67 3bwt h GLN 842 CO -0.05 0.75 0.15 1.15 -1.93 0.00 0.00 178.83 178.91 3bwt h THR 843 N 0.35 1.24 -0.42 2.39 2.02 -0.43 -1.44 112.91 116.62 3bwt h THR 843 Ca 0.03 -0.83 0.01 0.00 0.77 0.00 0.00 66.41 66.40 3bwt h THR 843 Cb 0.86 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 67.99 3bwt h THR 843 CO 0.07 0.31 0.26 0.00 0.37 0.00 0.00 175.52 176.52 3bwt h ALA 844 N 1.02 0.53 -0.53 6.16 0.00 -0.38 0.99 119.26 127.05 3bwt h ALA 844 Ca 0.17 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 3bwt h ALA 844 Cb 0.31 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3bwt h ALA 844 CO -0.00 -0.06 0.13 -0.07 0.00 0.00 0.00 179.25 179.25 3bwt h LEU 845 N 0.52 0.80 0.18 0.00 3.38 -1.31 -1.22 115.31 117.66 3bwt h LEU 845 Ca 0.16 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3bwt h LEU 845 Cb -0.01 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.53 3bwt h LEU 845 CO -0.07 0.82 -0.09 -0.78 0.09 0.00 0.00 178.44 178.42 3bwt h ASP 846 N 0.74 -0.20 0.32 -0.43 3.58 -0.59 -0.87 116.42 118.97 3bwt h ASP 846 Ca 0.17 -0.15 -0.01 0.00 0.42 0.00 0.00 57.03 57.46 3bwt h ASP 846 Cb 0.33 0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.43 3bwt h ASP 846 CO 0.00 0.04 -0.22 0.40 -2.88 0.00 0.00 179.24 176.58 3bwt h ILE 847 N -0.44 0.54 -0.81 2.25 1.08 -0.87 -2.91 117.51 116.35 3bwt h ILE 847 Ca -0.02 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.49 3bwt h ILE 847 Cb 0.34 0.54 -0.05 0.00 -3.07 0.00 0.00 36.82 34.59 3bwt h ILE 847 CO 0.04 0.00 0.53 0.77 -0.69 0.00 0.00 178.15 178.80 3bwt h SER 848 N -0.53 0.85 -0.55 1.72 4.64 -1.18 0.83 113.55 119.33 3bwt h SER 848 Ca -0.03 -0.01 0.03 0.00 -0.47 0.00 0.00 61.79 61.31 3bwt h SER 848 Cb 0.45 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 62.32 3bwt h SER 848 CO 0.02 0.57 0.36 -0.74 -0.87 0.00 0.00 176.83 176.18 3bwt h HIS 849 N 0.98 0.62 0.19 4.77 -0.00 -1.07 0.11 115.15 120.75 3bwt h HIS 849 Ca 0.33 0.02 -0.33 0.00 -0.00 0.00 0.00 60.37 60.38 3bwt h HIS 849 Cb 0.08 -0.21 0.02 0.00 -0.00 0.00 0.00 27.41 27.30 3bwt h HIS 849 CO -0.00 0.37 -1.57 0.87 -0.00 0.00 0.00 177.93 177.60 3bwt h LYS 850 N 0.65 0.40 0.00 5.26 1.57 -0.73 -3.41 116.57 120.31 3bwt h LYS 850 Ca 0.22 -0.69 -0.20 0.00 -1.87 0.00 0.00 60.65 58.10 3bwt h LYS 850 Cb 0.07 0.26 -0.04 0.00 0.08 0.00 0.00 32.23 32.60 3bwt h LYS 850 CO -0.06 1.31 -2.13 1.04 -0.57 0.00 0.00 179.45 179.04 3bwt n GLN 851 N -3.60 0.82 -3.17 3.15 6.02 -0.04 -4.94 117.38 115.63 3bwt n GLN 851 Ca -0.19 -0.08 0.02 0.00 -0.01 0.00 0.00 57.00 56.75 3bwt n GLN 851 Cb 1.08 -1.48 -0.01 0.00 1.02 0.00 0.00 30.24 30.85 3bwt n GLN 851 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 3bwt s ASN 852 N -4.90 -1.41 0.40 1.08 3.84 0.37 -5.02 114.94 109.31 3bwt s ASN 852 Ca -0.08 0.08 0.08 0.00 0.21 0.00 0.00 52.86 53.14 3bwt s ASN 852 Cb 0.08 1.93 0.84 0.00 -0.55 0.00 0.00 41.25 43.56 3bwt s ASN 852 CO 0.79 -0.30 2.02 0.44 -2.79 0.00 0.00 177.10 177.26 3bwt h ASP 853 N 7.97 0.52 -0.38 -4.21 3.32 -1.85 -0.67 116.42 121.12 3bwt h ASP 853 Ca -0.01 -0.01 -0.09 0.00 0.02 0.00 0.00 57.03 56.94 3bwt h ASP 853 Cb 1.18 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.59 3bwt h ASP 853 CO 0.16 0.36 -0.06 0.22 -1.72 0.00 0.00 179.24 178.20 3bwt h TYR 854 N 0.61 0.87 0.03 4.55 5.03 -1.95 -1.43 116.97 124.68 3bwt h TYR 854 Ca 0.22 -0.14 -0.28 0.00 2.58 0.00 0.00 58.73 61.11 3bwt h TYR 854 Cb 0.13 -0.23 0.02 0.00 1.55 0.00 0.00 36.73 38.20 3bwt h TYR 854 CO -0.00 0.83 -1.09 -0.07 -1.32 0.00 0.00 178.16 176.51 3bwt h LEU 855 N 0.74 0.91 -0.05 2.82 3.38 -1.64 -2.52 115.31 118.96 3bwt h LEU 855 Ca 0.13 -0.76 -0.00 0.00 0.09 0.00 0.00 57.88 57.35 3bwt h LEU 855 Cb 0.53 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 3bwt h LEU 855 CO 0.03 1.56 0.03 0.22 0.09 0.00 0.00 178.44 180.36 3bwt h TYR 856 N 0.37 0.07 -0.61 1.13 3.20 -1.03 0.15 116.97 120.24 3bwt h TYR 856 Ca -0.14 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.70 3bwt h TYR 856 Cb 1.75 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 39.97 3bwt h TYR 856 CO 0.11 0.14 0.27 0.87 -1.64 0.00 0.00 178.16 177.91 3bwt h LYS 857 N -0.03 0.88 -0.17 1.82 1.79 -1.37 0.30 116.57 119.79 3bwt h LYS 857 Ca 0.02 -0.12 -0.01 0.00 -2.18 0.00 0.00 60.65 58.35 3bwt h LYS 857 Cb 0.10 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 30.58 3bwt h LYS 857 CO -0.00 0.70 0.05 -0.09 -1.08 0.00 0.00 179.45 179.02 3bwt h ARG 858 N 0.87 0.26 -0.02 3.15 2.43 -0.97 -1.90 114.38 118.20 3bwt h ARG 858 Ca 0.21 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 3bwt h ARG 858 Cb 0.13 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.64 3bwt h ARG 858 CO -0.02 0.39 0.02 -0.07 -1.51 0.00 0.00 179.97 178.77 3bwt h LEU 859 N 0.09 0.03 -0.79 3.80 3.38 -0.44 -3.09 115.31 118.28 3bwt h LEU 859 Ca 0.05 -0.02 0.16 0.00 0.09 0.00 0.00 57.88 58.17 3bwt h LEU 859 Cb 0.24 -0.01 -0.10 0.00 0.09 0.00 0.00 40.66 40.88 3bwt h LEU 859 CO -0.00 0.03 0.32 0.28 0.09 0.00 0.00 178.44 179.17 3bwt h SER 860 N 0.02 0.29 1.32 -0.43 0.02 -0.29 -1.38 113.55 113.10 3bwt h SER 860 Ca 0.01 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 3bwt h SER 860 Cb 0.01 0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.65 3bwt h SER 860 CO -0.00 0.08 0.00 1.05 -1.14 0.00 0.00 176.83 176.82 3bwt h GLU 861 N 0.44 0.00 0.10 3.45 4.11 -1.26 0.08 114.58 121.50 3bwt h GLU 861 Ca 0.45 0.00 -0.32 0.00 0.07 0.00 0.00 59.36 59.56 3bwt h GLU 861 Cb 0.73 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 3bwt h GLU 861 CO -0.44 0.00 -1.67 0.82 0.07 0.00 0.00 179.01 177.79 3bwt h ILE 862 N 0.00 0.97 -0.13 -1.06 2.04 -1.41 -3.40 117.51 114.52 3bwt h ILE 862 Ca 0.00 -2.67 -0.11 0.00 1.00 0.00 0.00 64.86 63.08 3bwt h ILE 862 Cb 0.66 2.63 0.00 0.00 -0.74 0.00 0.00 36.82 39.38 3bwt h ILE 862 CO 0.00 0.77 -0.33 0.58 0.00 0.00 0.00 178.15 179.17 3bwt h VAL 863 N 0.06 1.37 -0.55 1.67 2.07 -0.85 -3.36 116.25 116.66 3bwt h VAL 863 Ca -0.29 -1.62 -0.02 0.00 0.82 0.00 0.00 66.70 65.59 3bwt h VAL 863 Cb 2.02 2.07 -0.03 0.00 -1.52 0.00 0.00 31.29 33.83 3bwt h VAL 863 CO 0.13 0.48 0.27 0.00 0.02 0.00 0.00 177.57 178.47 3bwt h ALA 864 N 0.53 1.46 0.00 1.67 0.00 -1.19 -0.50 119.26 121.22 3bwt h ALA 864 Ca -0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3bwt h ALA 864 Cb 0.94 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 3bwt h ALA 864 CO 0.07 0.44 -0.04 -1.35 0.00 0.00 0.00 179.25 178.37 3bwt h PRO 865 N 0.76 0.00 0.00 0.00 0.11 -1.77 -2.73 132.00 128.37 3bwt h PRO 865 Ca 0.19 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.28 3bwt h PRO 865 Cb 0.06 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.17 3bwt h PRO 865 CO -0.03 0.04 -0.76 -0.07 -0.21 0.00 0.00 178.00 176.98 3bwt h LEU 866 N 0.00 0.00 -6.30 2.35 3.38 -1.25 -3.40 115.31 110.09 3bwt h LEU 866 Ca -0.00 0.00 -0.74 0.00 0.09 0.00 0.00 57.88 57.23 3bwt h LEU 866 Cb 0.15 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.79 3bwt h LEU 866 CO 0.01 0.08 2.49 0.18 0.09 0.00 0.00 178.44 181.29 3bwt n LEU 867 N -2.84 6.70 -3.94 1.67 4.77 -1.03 -4.90 117.00 117.43 3bwt n LEU 867 Ca 0.00 -4.42 -0.10 0.00 -0.03 0.00 0.00 56.01 51.47 3bwt n LEU 867 Cb 0.58 -1.56 -0.11 0.00 -2.33 0.00 0.00 43.42 40.00 3bwt n LEU 867 CO 0.39 1.24 -0.33 0.68 -1.33 0.00 0.00 177.39 178.03 3bwt s VAL 868 N 1.65 0.09 0.00 4.08 -7.23 -1.26 -4.81 120.40 112.92 3bwt s VAL 868 Ca 0.43 -0.71 0.00 0.00 -1.81 0.00 0.00 61.98 59.89 3bwt s VAL 868 Cb 0.11 -0.24 0.00 0.00 0.56 0.00 0.00 36.38 36.81 3bwt s VAL 868 CO -0.03 -0.39 0.00 0.61 -0.31 0.00 0.00 175.10 174.98 3bwt n GLY 869 N 1.86 1.96 0.48 2.32 0.00 -1.26 -4.09 105.19 106.45 3bwt n GLY 869 Ca -0.22 -0.42 -0.17 0.00 0.00 0.00 0.00 46.02 45.22 3bwt n GLY 869 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3bwt h PRO 870 N 0.00 -0.84 -1.06 1.61 0.11 -1.98 -2.60 132.00 127.24 3bwt h PRO 870 Ca 0.00 0.06 0.28 0.00 0.11 0.00 0.00 66.00 66.45 3bwt h PRO 870 Cb 0.00 0.19 -0.08 0.00 0.11 0.00 0.00 31.00 31.22 3bwt h PRO 870 CO 0.00 -0.56 0.70 0.82 -0.21 0.00 0.00 178.00 178.75 3bwt h ILE 871 N -0.87 0.50 0.00 4.15 2.04 -1.92 0.03 117.51 121.44 3bwt h ILE 871 Ca -0.03 -0.10 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 3bwt h ILE 871 Cb 0.81 0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 37.08 3bwt h ILE 871 CO -0.15 0.05 -0.01 0.03 0.00 0.00 0.00 178.15 178.07 3bwt h ARG 872 N 0.28 0.00 0.00 2.37 3.08 -1.69 -2.41 114.38 116.00 3bwt h ARG 872 Ca 0.58 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.63 3bwt h ARG 872 Cb 1.68 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.73 3bwt h ARG 872 CO -0.22 0.01 -0.70 0.09 -1.07 0.00 0.00 179.97 178.09 3bwt n ASN 873 N -3.55 0.70 -4.83 7.04 3.02 -0.01 -4.31 115.26 113.32 3bwt n ASN 873 Ca -0.03 -0.84 -0.33 0.00 -0.03 0.00 0.00 54.58 53.36 3bwt n ASN 873 Cb 0.10 1.00 -0.05 0.00 -0.61 0.00 0.00 39.78 40.22 3bwt n ASN 873 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3bwt s THR 874 N -2.38 4.43 0.24 3.41 -4.23 -0.91 -4.92 115.64 111.27 3bwt s THR 874 Ca 0.05 1.34 -0.05 0.00 -1.18 0.00 0.00 61.69 61.85 3bwt s THR 874 Cb 0.11 -3.65 0.20 0.00 1.34 0.00 0.00 72.50 70.50 3bwt s THR 874 CO 0.60 -0.49 1.74 -0.65 -0.54 0.00 0.00 174.62 175.28 3bwt h PRO 875 N 1.41 0.46 -0.18 3.99 0.11 -1.92 -0.68 132.00 135.19 3bwt h PRO 875 Ca -0.48 -0.03 -0.18 0.00 0.11 0.00 0.00 66.00 65.42 3bwt h PRO 875 Cb 1.18 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 3bwt h PRO 875 CO 0.61 0.30 -0.62 1.12 -0.21 0.00 0.00 178.00 179.20 3bwt h HIS 876 N 0.47 0.81 0.01 0.65 2.07 -1.93 -2.21 115.15 115.01 3bwt h HIS 876 Ca 0.39 -0.31 0.00 0.00 -2.85 0.00 0.00 60.37 57.60 3bwt h HIS 876 Cb 0.55 -0.14 -0.01 0.00 2.57 0.00 0.00 27.41 30.38 3bwt h HIS 876 CO -0.15 1.08 -0.03 0.78 -3.07 0.00 0.00 177.93 176.54 3bwt h GLY 877 N 0.95 -0.03 1.98 6.13 0.00 -1.52 -2.53 103.07 108.05 3bwt h GLY 877 Ca -0.01 0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.36 3bwt h GLY 877 CO 0.12 -0.03 0.01 0.50 0.00 0.00 0.00 176.54 177.14 3bwt h LYS 878 N -0.05 0.00 -0.07 4.80 1.57 -0.99 -2.14 116.57 119.68 3bwt h LYS 878 Ca 0.01 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 3bwt h LYS 878 Cb 0.07 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.37 3bwt h LYS 878 CO -0.03 0.00 -0.06 -0.09 -0.57 0.00 0.00 179.45 178.71 3bwt h ARG 879 N 0.00 0.15 -0.23 3.15 2.43 -0.96 -2.90 114.38 116.04 3bwt h ARG 879 Ca 0.00 -0.08 -0.13 0.00 -0.81 0.00 0.00 59.98 58.97 3bwt h ARG 879 Cb 0.02 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 3bwt h ARG 879 CO -0.00 0.58 -0.40 0.82 -1.51 0.00 0.00 179.97 179.46 3bwt h ILE 880 N -0.27 1.30 -0.58 1.20 1.08 -1.36 -2.30 117.51 116.59 3bwt h ILE 880 Ca 0.01 -1.56 0.12 0.00 -0.39 0.00 0.00 64.86 63.04 3bwt h ILE 880 Cb 0.55 1.57 -0.03 0.00 -3.07 0.00 0.00 36.82 35.83 3bwt h ILE 880 CO 0.01 0.49 0.39 0.40 -0.69 0.00 0.00 178.15 178.76 3bwt h ILE 881 N 0.43 0.84 0.00 -0.67 2.04 -1.41 0.14 117.51 118.89 3bwt h ILE 881 Ca 0.04 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.80 3bwt h ILE 881 Cb 0.89 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 3bwt h ILE 881 CO 0.08 0.05 0.00 1.23 0.00 0.00 0.00 178.15 179.51 3bwt h GLY 882 N 0.28 0.00 -2.01 5.37 0.00 -1.19 -2.90 103.07 102.62 3bwt h GLY 882 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.60 3bwt h GLY 882 CO -0.06 0.00 0.00 1.03 0.00 0.00 0.00 176.54 177.51 3bwt n MET 883 N -3.00 2.35 0.03 4.80 2.81 0.03 -4.69 117.12 119.44 3bwt n MET 883 Ca 0.01 -2.04 -0.18 0.00 -1.81 0.00 0.00 57.70 53.68 3bwt n MET 883 Cb 0.33 -1.49 -0.14 0.00 -0.71 0.00 0.00 33.22 31.21 3bwt n MET 883 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 3bwt h LEU 884 N 3.93 0.38 0.00 4.03 3.38 -1.48 -3.42 115.31 122.13 3bwt h LEU 884 Ca 0.00 -0.69 -0.07 0.00 0.09 0.00 0.00 57.88 57.21 3bwt h LEU 884 Cb 0.87 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 3bwt h LEU 884 CO 0.00 1.60 -1.27 1.41 0.09 0.00 0.00 178.44 180.27 3bwt n HIS 885 N -3.42 0.00 0.00 1.13 8.25 -1.26 -4.95 115.22 114.96 3bwt n HIS 885 Ca -0.24 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.22 3bwt n HIS 885 Cb 1.05 -0.19 0.00 0.00 1.12 0.00 0.00 29.99 31.97 3bwt n HIS 885 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26