#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bkd s LEU 569 N 0.00 0.58 0.00 0.55 0.05 -1.26 -5.15 118.68 113.45 1bkd s LEU 569 Ca 0.00 -2.18 -0.19 0.00 0.05 0.00 0.00 54.13 51.81 1bkd s LEU 569 Cb 0.00 0.06 0.27 0.00 -2.05 0.00 0.00 46.19 44.47 1bkd s LEU 569 CO 0.00 -0.24 1.14 -0.81 -0.55 0.00 0.00 176.35 175.89 1bkd n PRO 570 N 3.74 -2.50 -0.66 1.48 -0.04 -1.26 -4.74 135.00 131.02 1bkd n PRO 570 Ca 0.17 -1.80 -0.30 0.00 -0.04 0.00 0.00 63.50 61.52 1bkd n PRO 570 Cb 0.44 -1.51 0.26 0.00 -0.04 0.00 0.00 33.50 32.65 1bkd n PRO 570 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1bkd s SER 571 N -4.82 -0.06 0.00 3.54 0.01 -1.26 -4.86 113.70 106.24 1bkd s SER 571 Ca 0.71 0.86 0.02 0.00 1.31 0.00 0.00 55.95 58.84 1bkd s SER 571 Cb -0.05 -1.24 0.10 0.00 0.21 0.00 0.00 66.02 65.04 1bkd s SER 571 CO 0.53 -4.75 0.54 0.00 0.41 0.00 0.00 173.24 169.96 1bkd n ALA 572 N -5.22 1.95 0.00 1.44 0.00 -1.26 -4.84 120.51 112.58 1bkd n ALA 572 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1bkd n ALA 572 Cb 0.59 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 19.01 1bkd n ALA 572 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1bkd n ASP 573 N -0.56 0.00 -0.64 0.00 2.03 -1.26 -4.61 116.55 111.51 1bkd n ASP 573 Ca 0.01 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.37 1bkd n ASP 573 Cb 0.01 -0.08 0.14 0.00 -0.72 0.00 0.00 41.12 40.46 1bkd n ASP 573 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1bkd n VAL 574 N -0.73 0.52 -1.98 5.18 0.31 -1.26 -3.37 118.33 117.00 1bkd n VAL 574 Ca 0.00 -0.43 0.00 0.00 -0.01 0.00 0.00 64.34 63.90 1bkd n VAL 574 Cb 0.00 0.09 0.00 0.00 -0.91 0.00 0.00 33.84 33.02 1bkd n VAL 574 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1bkd n TYR 575 N 0.35 0.00 -2.90 3.52 4.01 -1.26 -5.15 117.16 115.72 1bkd n TYR 575 Ca 0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.84 1bkd n TYR 575 Cb 0.32 0.10 0.00 0.00 -0.31 0.00 0.00 39.34 39.45 1bkd n TYR 575 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1bkd n ARG 576 N 0.00 0.00 -0.47 -0.72 5.12 -1.22 -4.74 116.66 114.63 1bkd n ARG 576 Ca 0.00 0.00 0.09 0.00 -1.93 0.00 0.00 57.85 56.01 1bkd n ARG 576 Cb 0.59 0.00 0.31 0.00 -1.16 0.00 0.00 32.46 32.20 1bkd n ARG 576 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 1bkd n PHE 577 N 0.00 1.15 0.17 -1.55 3.01 -1.26 -4.65 117.46 114.32 1bkd n PHE 577 Ca 0.00 -0.59 0.10 0.00 1.01 0.00 0.00 57.45 57.97 1bkd n PHE 577 Cb 0.00 -0.16 0.53 0.00 -0.01 0.00 0.00 39.48 39.85 1bkd n PHE 577 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1bkd n ALA 578 N 1.01 0.93 -1.67 4.37 0.00 -1.26 -4.75 120.51 119.13 1bkd n ALA 578 Ca 0.23 0.18 -0.50 0.00 0.00 0.00 0.00 53.44 53.35 1bkd n ALA 578 Cb 0.75 -1.17 -0.05 0.00 0.00 0.00 0.00 19.45 18.98 1bkd n ALA 578 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1bkd n GLU 579 N -2.21 1.89 -2.43 0.00 1.02 -1.26 -4.89 120.64 112.76 1bkd n GLU 579 Ca -0.01 0.69 -0.34 0.00 -0.02 0.00 0.00 57.16 57.47 1bkd n GLU 579 Cb 0.11 -2.47 -0.02 0.00 -0.02 0.00 0.00 31.44 29.05 1bkd n GLU 579 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1bkd s PRO 580 N 2.82 3.64 0.30 3.49 0.04 -1.26 -4.98 135.00 139.04 1bkd s PRO 580 Ca 0.89 1.41 -0.29 0.00 0.04 0.00 0.00 61.00 63.06 1bkd s PRO 580 Cb -0.78 -2.07 -0.13 0.00 0.04 0.00 0.00 34.50 31.56 1bkd s PRO 580 CO 0.50 -0.57 1.31 -0.25 0.04 0.00 0.00 177.00 178.02 1bkd n ASP 581 N -1.14 2.62 -1.93 6.66 8.00 -1.26 -4.93 116.55 124.57 1bkd n ASP 581 Ca 0.10 1.18 -0.06 0.00 0.71 0.00 0.00 54.79 56.72 1bkd n ASP 581 Cb 0.52 -1.44 -0.01 0.00 -0.02 0.00 0.00 41.12 40.17 1bkd n ASP 581 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1bkd n SER 582 N 1.33 -0.80 -0.00 -2.24 3.41 -1.26 -5.00 113.62 109.05 1bkd n SER 582 Ca 0.08 -1.87 0.14 0.00 -0.26 0.00 0.00 58.87 56.96 1bkd n SER 582 Cb 0.34 1.43 0.64 0.00 -0.26 0.00 0.00 64.21 66.36 1bkd n SER 582 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1bkd n GLU 583 N -0.27 0.15 -0.22 4.33 1.02 -1.26 -2.62 120.64 121.77 1bkd n GLU 583 Ca -0.01 -0.01 0.12 0.00 -0.02 0.00 0.00 57.16 57.24 1bkd n GLU 583 Cb 0.28 -1.50 0.23 0.00 -0.02 0.00 0.00 31.44 30.44 1bkd n GLU 583 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1bkd n GLU 584 N -1.42 2.54 0.03 3.49 1.02 -1.26 -4.63 120.64 120.41 1bkd n GLU 584 Ca 0.09 -2.35 -0.01 0.00 -0.02 0.00 0.00 57.16 54.87 1bkd n GLU 584 Cb 0.31 -1.52 -0.00 0.00 -0.02 0.00 0.00 31.44 30.20 1bkd n GLU 584 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1bkd n ASN 585 N 1.52 1.15 -4.00 1.62 3.02 -1.08 -4.84 115.26 112.66 1bkd n ASN 585 Ca 0.20 0.16 -0.10 0.00 -0.03 0.00 0.00 54.58 54.81 1bkd n ASN 585 Cb 0.61 -0.38 -0.11 0.00 -0.61 0.00 0.00 39.78 39.29 1bkd n ASN 585 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1bkd s ILE 586 N -2.06 0.19 -0.03 2.41 1.01 -1.09 -2.28 121.20 119.37 1bkd s ILE 586 Ca -0.04 -0.97 0.02 0.00 0.00 0.00 0.00 60.65 59.66 1bkd s ILE 586 Cb 0.01 -0.36 0.00 0.00 0.01 0.00 0.00 42.46 42.12 1bkd s ILE 586 CO 0.06 -0.49 -0.08 -0.63 0.00 0.00 0.00 174.94 173.80 1bkd s ILE 587 N -1.51 0.70 0.25 2.92 1.01 -0.69 -4.52 121.20 119.35 1bkd s ILE 587 Ca -0.14 -0.31 0.08 0.00 0.00 0.00 0.00 60.65 60.27 1bkd s ILE 587 Cb -0.10 -0.63 -0.04 0.00 0.01 0.00 0.00 42.46 41.71 1bkd s ILE 587 CO -0.01 0.23 0.15 -0.36 0.00 0.00 0.00 174.94 174.94 1bkd s PHE 588 N 0.25 3.02 0.15 3.97 0.08 -1.26 -0.07 117.98 124.12 1bkd s PHE 588 Ca -0.04 -0.13 -0.30 0.00 0.12 0.00 0.00 56.93 56.58 1bkd s PHE 588 Cb -0.09 -1.36 -0.07 0.00 -0.57 0.00 0.00 43.02 40.93 1bkd s PHE 588 CO 0.00 0.54 1.15 -2.00 -0.10 0.00 0.00 175.22 174.81 1bkd s GLU 589 N -3.78 4.53 -1.26 0.44 2.56 0.77 -4.67 118.70 117.28 1bkd s GLU 589 Ca 0.32 1.77 -0.14 0.00 0.00 0.00 0.00 54.97 56.92 1bkd s GLU 589 Cb -0.08 -3.28 0.14 0.00 2.00 0.00 0.00 34.13 32.91 1bkd s GLU 589 CO 0.24 -0.05 1.63 0.39 -0.56 0.00 0.00 175.26 176.91 1bkd n GLU 590 N 2.77 3.34 0.21 4.30 -0.58 -1.26 -4.75 120.64 124.67 1bkd n GLU 590 Ca 0.05 -3.59 0.07 0.00 -0.42 0.00 0.00 57.16 53.27 1bkd n GLU 590 Cb 0.46 -3.14 0.47 0.00 -0.57 0.00 0.00 31.44 28.66 1bkd n GLU 590 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1bkd h GLY 597 N 10.07 0.00 -4.12 0.62 0.00 -2.08 -3.52 103.07 104.04 1bkd h GLY 597 Ca 0.38 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 47.19 1bkd h GLY 597 CO 1.40 0.00 0.60 -0.42 0.00 0.00 0.00 176.54 178.11 1bkd s ILE 598 N -4.00 3.31 0.14 2.60 1.01 -1.26 -4.99 121.20 118.01 1bkd s ILE 598 Ca -0.02 1.14 -0.31 0.00 0.00 0.00 0.00 60.65 61.46 1bkd s ILE 598 Cb 0.13 -3.73 -0.08 0.00 0.01 0.00 0.00 42.46 38.79 1bkd s ILE 598 CO 0.67 0.20 1.34 -2.84 0.00 0.00 0.00 174.94 174.30 1bkd s PRO 599 N -0.50 4.36 -0.20 2.79 0.02 -1.26 -5.00 135.00 135.20 1bkd s PRO 599 Ca 0.53 2.03 -0.21 0.00 0.02 0.00 0.00 61.00 63.37 1bkd s PRO 599 Cb -0.35 -3.24 -0.02 0.00 0.02 0.00 0.00 34.50 30.91 1bkd s PRO 599 CO 0.40 -0.34 0.66 0.42 -0.33 0.00 0.00 177.00 177.80 1bkd s ILE 600 N 0.71 4.99 0.26 2.83 1.01 -1.26 -5.02 121.20 124.73 1bkd s ILE 600 Ca 0.61 1.25 -0.30 0.00 0.00 0.00 0.00 60.65 62.21 1bkd s ILE 600 Cb -0.36 -3.97 -0.09 0.00 0.01 0.00 0.00 42.46 38.04 1bkd s ILE 600 CO 0.33 0.09 1.03 -0.63 0.00 0.00 0.00 174.94 175.76 1bkd s ILE 601 N 2.00 3.73 -0.23 2.92 1.01 -1.26 -0.17 121.20 129.21 1bkd s ILE 601 Ca 0.30 1.75 -0.07 0.00 0.00 0.00 0.00 60.65 62.63 1bkd s ILE 601 Cb -0.16 -4.11 -0.12 0.00 0.01 0.00 0.00 42.46 38.08 1bkd s ILE 601 CO 0.10 0.42 -0.26 1.17 0.00 0.00 0.00 174.94 176.37 1bkd n LYS 602 N 1.33 0.52 -3.76 2.79 4.81 0.90 -4.41 118.16 120.34 1bkd n LYS 602 Ca -0.01 0.19 -0.09 0.00 -0.87 0.00 0.00 58.31 57.53 1bkd n LYS 602 Cb 0.46 -1.37 -0.02 0.00 0.02 0.00 0.00 35.03 34.11 1bkd n LYS 602 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1bkd s ALA 603 N -2.43 -1.19 0.00 3.14 0.00 -1.05 -1.06 121.76 119.18 1bkd s ALA 603 Ca -0.32 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 51.47 1bkd s ALA 603 Cb 0.11 0.87 0.00 0.00 0.00 0.00 0.00 23.12 24.10 1bkd s ALA 603 CO 0.45 -0.94 0.00 0.41 0.00 0.00 0.00 175.76 175.68 1bkd n GLY 604 N -0.42 2.00 3.74 0.00 0.00 -0.89 -1.71 105.19 107.90 1bkd n GLY 604 Ca -0.07 -0.85 -0.35 0.00 0.00 0.00 0.00 46.02 44.74 1bkd n GLY 604 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bkd s THR 605 N -2.00 2.41 0.50 2.61 2.01 -0.96 -1.87 115.64 118.34 1bkd s THR 605 Ca 0.00 0.23 0.20 0.00 0.31 0.00 0.00 61.69 62.42 1bkd s THR 605 Cb 0.00 -2.92 0.34 0.00 0.01 0.00 0.00 72.50 69.93 1bkd s THR 605 CO 0.00 -0.08 2.04 1.62 -0.69 0.00 0.00 174.62 177.50 1bkd h VAL 606 N 0.22 0.86 0.64 3.82 3.04 -1.94 0.21 116.25 123.10 1bkd h VAL 606 Ca -0.49 -0.03 -0.03 0.00 -1.01 0.00 0.00 66.70 65.13 1bkd h VAL 606 Cb 1.30 0.75 0.01 0.00 -2.01 0.00 0.00 31.29 31.33 1bkd h VAL 606 CO 0.52 0.02 -0.31 0.40 -1.01 0.00 0.00 177.57 177.19 1bkd h ILE 607 N 0.10 0.24 0.00 3.17 1.08 -1.98 -1.39 117.51 118.73 1bkd h ILE 607 Ca 0.18 -0.27 -0.05 0.00 -0.39 0.00 0.00 64.86 64.33 1bkd h ILE 607 Cb 0.59 0.31 -0.01 0.00 -3.07 0.00 0.00 36.82 34.64 1bkd h ILE 607 CO -0.02 0.03 -0.25 0.50 -0.69 0.00 0.00 178.15 177.72 1bkd h LYS 608 N -1.07 0.00 -0.11 2.37 1.63 -1.73 -1.40 116.57 116.27 1bkd h LYS 608 Ca -0.09 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.69 1bkd h LYS 608 Cb 0.70 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.33 1bkd h LYS 608 CO 0.14 0.25 -0.04 1.25 -3.45 0.00 0.00 179.45 177.61 1bkd h LEU 609 N 0.00 0.21 -1.35 5.20 5.85 -0.52 -2.18 115.31 122.53 1bkd h LEU 609 Ca -0.00 -0.39 -0.05 0.00 0.84 0.00 0.00 57.88 58.28 1bkd h LEU 609 Cb 0.48 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 1bkd h LEU 609 CO 0.03 0.55 -0.24 0.40 -0.34 0.00 0.00 178.44 178.85 1bkd h ILE 610 N -0.13 0.70 0.02 4.05 2.04 -1.04 -1.89 117.51 121.27 1bkd h ILE 610 Ca 0.03 -1.04 -0.00 0.00 1.00 0.00 0.00 64.86 64.84 1bkd h ILE 610 Cb 0.47 1.66 0.00 0.00 -0.74 0.00 0.00 36.82 38.21 1bkd h ILE 610 CO 0.01 0.24 -0.01 -0.08 0.00 0.00 0.00 178.15 178.31 1bkd h GLU 611 N 0.00 -0.03 0.00 2.37 4.81 -1.08 -2.57 114.58 118.08 1bkd h GLU 611 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1bkd h GLU 611 Cb 0.64 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.03 1bkd h GLU 611 CO 0.03 0.34 0.00 0.00 -0.73 0.00 0.00 179.01 178.65 1bkd h ARG 612 N -0.39 0.00 0.00 1.92 2.47 -1.14 0.16 114.38 117.39 1bkd h ARG 612 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1bkd h ARG 612 Cb 0.38 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.70 1bkd h ARG 612 CO 0.00 0.00 -0.07 1.25 0.56 0.00 0.00 179.97 181.72 1bkd h LEU 613 N 0.00 0.00 -5.03 3.04 5.85 -1.12 -3.26 115.31 114.79 1bkd h LEU 613 Ca 0.00 -0.01 -0.34 0.00 0.84 0.00 0.00 57.88 58.37 1bkd h LEU 613 Cb 0.37 0.00 -0.41 0.00 0.37 0.00 0.00 40.66 41.00 1bkd h LEU 613 CO 0.00 0.01 -1.08 0.41 -0.34 0.00 0.00 178.44 177.44 1bkd n THR 614 N -2.65 1.42 -2.12 1.05 -1.04 -0.52 -4.84 114.28 105.58 1bkd n THR 614 Ca 0.05 -3.27 -0.41 0.00 -2.04 0.00 0.00 64.05 58.38 1bkd n THR 614 Cb 0.48 0.62 -0.02 0.00 -1.82 0.00 0.00 70.33 69.59 1bkd n THR 614 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 1bkd s TYR 615 N -3.55 3.10 0.20 -1.42 5.04 -0.07 -4.73 117.35 115.92 1bkd s TYR 615 Ca 0.31 1.28 0.03 0.00 -2.44 0.00 0.00 57.07 56.25 1bkd s TYR 615 Cb 0.38 -3.69 0.11 0.00 0.35 0.00 0.00 41.96 39.11 1bkd s TYR 615 CO -0.02 -2.05 1.46 1.12 -1.34 0.00 0.00 175.55 174.73 1bkd h HIS 616 N 4.27 0.31 0.11 4.97 2.07 -1.90 -3.31 115.15 121.66 1bkd h HIS 616 Ca -0.47 -0.15 -0.01 0.00 -2.85 0.00 0.00 60.37 56.90 1bkd h HIS 616 Cb 1.22 -0.05 0.00 0.00 2.57 0.00 0.00 27.41 31.16 1bkd h HIS 616 CO 0.58 0.89 -0.05 0.52 -3.07 0.00 0.00 177.93 176.80 1bkd h MET 617 N 0.15 -0.14 -3.95 5.12 2.86 -1.92 -3.47 114.93 113.58 1bkd h MET 617 Ca -0.03 0.01 -0.12 0.00 -2.06 0.00 0.00 59.70 57.51 1bkd h MET 617 Cb 1.31 0.03 -0.11 0.00 0.06 0.00 0.00 31.60 32.89 1bkd h MET 617 CO 0.11 -0.01 -0.29 1.52 1.06 0.00 0.00 176.91 179.31 1bkd s TYR 618 N -5.76 0.59 -0.06 -0.22 -0.85 -1.25 -5.16 117.35 104.63 1bkd s TYR 618 Ca -0.14 -0.91 -0.06 0.00 -0.52 0.00 0.00 57.07 55.43 1bkd s TYR 618 Cb 0.05 -0.06 -0.04 0.00 0.38 0.00 0.00 41.96 42.29 1bkd s TYR 618 CO 0.65 -0.85 0.19 0.00 -1.52 0.00 0.00 175.55 174.01 1bkd s ALA 619 N -4.05 3.88 -0.57 9.51 0.00 -1.26 -4.27 121.76 125.00 1bkd s ALA 619 Ca 0.26 -0.63 0.06 0.00 0.00 0.00 0.00 51.96 51.65 1bkd s ALA 619 Cb 0.02 -1.99 0.22 0.00 0.00 0.00 0.00 23.12 21.37 1bkd s ALA 619 CO 0.08 0.65 0.59 -3.47 0.00 0.00 0.00 175.76 173.61 1bkd n ASP 620 N 1.57 2.26 0.06 0.00 -0.08 -1.26 -4.96 116.55 114.15 1bkd n ASP 620 Ca -0.16 -3.09 0.17 0.00 -1.51 0.00 0.00 54.79 50.20 1bkd n ASP 620 Cb 0.54 -0.67 0.68 0.00 2.34 0.00 0.00 41.12 44.01 1bkd n ASP 620 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1bkd h PRO 621 N 4.58 0.00 -0.03 -0.67 0.13 -1.97 -1.43 132.00 132.62 1bkd h PRO 621 Ca 0.17 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 65.04 1bkd h PRO 621 Cb 0.76 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.91 1bkd h PRO 621 CO 0.67 0.00 -0.99 -0.91 -0.23 0.00 0.00 178.00 176.54 1bkd h ASN 622 N 0.00 0.92 0.48 1.44 2.35 -1.99 -2.34 115.58 116.43 1bkd h ASN 622 Ca 0.19 -0.71 -0.09 0.00 -0.55 0.00 0.00 56.30 55.15 1bkd h ASN 622 Cb 0.78 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.86 1bkd h ASN 622 CO -0.00 1.51 -0.42 0.15 -1.65 0.00 0.00 177.43 177.02 1bkd h PHE 623 N 0.43 0.00 -0.04 1.19 3.57 -1.80 -1.96 116.94 118.33 1bkd h PHE 623 Ca -0.11 0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.19 1bkd h PHE 623 Cb 1.64 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.37 1bkd h PHE 623 CO 0.10 0.42 -0.80 0.28 -2.23 0.00 0.00 178.31 176.07 1bkd h VAL 624 N 0.00 1.42 -0.22 1.41 2.07 -1.27 -1.49 116.25 118.18 1bkd h VAL 624 Ca -0.00 -2.33 -0.18 0.00 0.82 0.00 0.00 66.70 65.01 1bkd h VAL 624 Cb 0.77 2.27 -0.00 0.00 -1.52 0.00 0.00 31.29 32.80 1bkd h VAL 624 CO 0.05 0.69 -0.58 -0.09 0.02 0.00 0.00 177.57 177.67 1bkd h ARG 625 N 0.21 0.68 -0.02 1.57 2.43 -1.16 -2.58 114.38 115.51 1bkd h ARG 625 Ca -0.04 -0.45 -0.20 0.00 -0.81 0.00 0.00 59.98 58.48 1bkd h ARG 625 Cb 1.40 0.06 0.01 0.00 -0.42 0.00 0.00 29.97 31.02 1bkd h ARG 625 CO 0.13 1.07 -0.76 1.15 -1.51 0.00 0.00 179.97 180.05 1bkd h THR 626 N 0.52 1.36 -0.41 0.20 2.02 -1.37 -3.16 112.91 112.06 1bkd h THR 626 Ca 0.00 -2.11 -0.03 0.00 0.77 0.00 0.00 66.41 65.05 1bkd h THR 626 Cb 1.15 2.44 -0.02 0.00 -1.74 0.00 0.00 68.15 69.99 1bkd h THR 626 CO 0.12 0.63 0.14 0.15 0.37 0.00 0.00 175.52 176.93 1bkd h PHE 627 N 0.14 0.66 0.00 3.16 3.04 -1.33 -2.02 116.94 120.58 1bkd h PHE 627 Ca -0.09 -0.06 0.00 0.00 3.98 0.00 0.00 57.97 61.80 1bkd h PHE 627 Cb 1.44 -0.19 0.00 0.00 2.56 0.00 0.00 35.95 39.76 1bkd h PHE 627 CO 0.12 0.60 0.00 1.28 -2.02 0.00 0.00 178.31 178.29 1bkd n LEU 628 N -4.60 0.00 -0.05 0.59 4.77 -0.97 -1.32 117.00 115.42 1bkd n LEU 628 Ca -0.00 0.40 -0.02 0.00 -0.03 0.00 0.00 56.01 56.35 1bkd n LEU 628 Cb 0.17 -0.40 -0.15 0.00 -2.33 0.00 0.00 43.42 40.72 1bkd n LEU 628 CO 0.38 -0.14 -0.85 0.41 -1.33 0.00 0.00 177.39 175.85 1bkd n THR 629 N -1.40 0.97 -0.33 -5.08 -1.04 -0.95 -4.66 114.28 101.79 1bkd n THR 629 Ca 0.07 -0.72 0.00 0.00 -2.04 0.00 0.00 64.05 61.36 1bkd n THR 629 Cb 0.19 -0.41 0.00 0.00 -1.82 0.00 0.00 70.33 68.29 1bkd n THR 629 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1bkd n THR 630 N -2.65 0.63 0.16 12.58 -2.24 -0.80 -4.84 114.28 117.11 1bkd n THR 630 Ca -0.20 -0.65 0.01 0.00 -2.27 0.00 0.00 64.05 60.94 1bkd n THR 630 Cb 0.93 0.71 0.24 0.00 -2.10 0.00 0.00 70.33 70.10 1bkd n THR 630 CO 0.00 0.00 0.00 0.10 -0.57 0.00 0.00 175.07 174.60 1bkd h TYR 631 N 0.00 0.00 0.00 4.78 -0.00 -1.45 -3.29 116.97 117.01 1bkd h TYR 631 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 1bkd h TYR 631 Cb 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.36 1bkd h TYR 631 CO 0.00 0.53 0.07 0.54 -0.00 0.00 0.00 178.16 179.30 1bkd n ARG 632 N -3.80 0.00 0.00 0.10 1.74 -1.24 -1.06 116.66 112.40 1bkd n ARG 632 Ca -0.01 0.40 0.12 0.00 -0.77 0.00 0.00 57.85 57.59 1bkd n ARG 632 Cb 0.56 -1.57 0.23 0.00 -1.02 0.00 0.00 32.46 30.65 1bkd n ARG 632 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1bkd n SER 633 N -1.40 0.56 0.00 0.55 3.41 -1.24 -4.25 113.62 111.25 1bkd n SER 633 Ca 0.00 -0.33 0.00 0.00 -0.26 0.00 0.00 58.87 58.28 1bkd n SER 633 Cb 0.07 0.30 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 1bkd n SER 633 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 1bkd n PHE 634 N -1.46 0.00 -3.65 7.33 1.16 -0.22 -5.07 117.46 115.54 1bkd n PHE 634 Ca 0.06 -0.00 -0.14 0.00 -1.87 0.00 0.00 57.45 55.50 1bkd n PHE 634 Cb 0.34 -0.00 -0.08 0.00 -1.61 0.00 0.00 39.48 38.13 1bkd n PHE 634 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1bkd s LYS 636 N 0.30 4.06 0.29 0.00 1.02 -1.26 -3.60 119.74 120.54 1bkd s LYS 636 Ca -0.00 0.59 0.01 0.00 0.02 0.00 0.00 55.97 56.59 1bkd s LYS 636 Cb -0.04 -2.96 0.69 0.00 -0.52 0.00 0.00 37.83 35.00 1bkd s LYS 636 CO 0.01 0.48 1.64 -1.35 -0.92 0.00 0.00 175.35 175.21 1bkd h PRO 637 N 3.65 0.17 -0.79 -1.68 0.11 -1.94 0.82 132.00 132.33 1bkd h PRO 637 Ca -0.49 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 1bkd h PRO 637 Cb 1.20 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 32.23 1bkd h PRO 637 CO 0.65 0.11 0.39 1.96 -0.21 0.00 0.00 178.00 180.90 1bkd h GLN 638 N 0.17 1.13 -0.12 1.05 1.08 -1.99 -2.07 115.11 114.36 1bkd h GLN 638 Ca 0.55 -0.16 -0.12 0.00 -1.45 0.00 0.00 58.65 57.47 1bkd h GLN 638 Cb 1.10 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 28.31 1bkd h GLN 638 CO -0.68 0.86 -0.45 0.93 -0.95 0.00 0.00 178.83 178.54 1bkd h GLU 639 N 1.12 0.29 -0.17 1.46 5.08 -1.28 -2.71 114.58 118.36 1bkd h GLU 639 Ca 0.27 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.46 1bkd h GLU 639 Cb 0.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1bkd h GLU 639 CO -0.04 0.69 0.01 1.25 -1.00 0.00 0.00 179.01 179.93 1bkd h LEU 640 N 0.24 0.29 -0.99 1.33 6.46 -0.72 -0.79 115.31 121.14 1bkd h LEU 640 Ca 0.02 -0.29 -0.01 0.00 -0.12 0.00 0.00 57.88 57.47 1bkd h LEU 640 Cb 0.89 -0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 40.70 1bkd h LEU 640 CO 0.07 0.51 0.49 0.25 -0.62 0.00 0.00 178.44 179.14 1bkd h LEU 641 N 0.07 1.07 -0.53 2.25 5.85 -1.35 -0.22 115.31 122.44 1bkd h LEU 641 Ca 0.05 -0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.63 1bkd h LEU 641 Cb 0.35 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1bkd h LEU 641 CO 0.01 0.84 0.09 0.28 -0.34 0.00 0.00 178.44 179.32 1bkd h SER 642 N 1.21 0.83 -0.31 1.25 0.02 -1.30 -0.63 113.55 114.61 1bkd h SER 642 Ca 0.31 -0.25 -0.10 0.00 -0.84 0.00 0.00 61.79 60.90 1bkd h SER 642 Cb 0.00 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.31 1bkd h SER 642 CO -0.05 0.87 -0.15 -0.07 -1.14 0.00 0.00 176.83 176.29 1bkd h LEU 643 N 0.75 0.76 -0.47 5.07 3.38 -0.73 -0.05 115.31 124.02 1bkd h LEU 643 Ca 0.16 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 1bkd h LEU 643 Cb 0.39 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1bkd h LEU 643 CO 0.01 0.91 0.03 0.40 0.09 0.00 0.00 178.44 179.88 1bkd h ILE 644 N 0.68 1.26 -0.56 1.22 2.04 -0.80 -0.10 117.51 121.25 1bkd h ILE 644 Ca 0.11 -1.01 -0.11 0.00 1.00 0.00 0.00 64.86 64.85 1bkd h ILE 644 Cb 0.63 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.68 1bkd h ILE 644 CO 0.04 0.35 -0.07 0.40 0.00 0.00 0.00 178.15 178.87 1bkd h ILE 645 N 0.67 1.27 0.00 -0.67 2.04 -0.92 -1.46 117.51 118.44 1bkd h ILE 645 Ca 0.14 -1.23 -0.04 0.00 1.00 0.00 0.00 64.86 64.72 1bkd h ILE 645 Cb 0.46 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 1bkd h ILE 645 CO 0.02 0.44 -0.20 -0.08 0.00 0.00 0.00 178.15 178.33 1bkd h GLU 646 N 0.92 0.00 0.03 2.37 4.81 -0.74 -2.24 114.58 119.72 1bkd h GLU 646 Ca 0.15 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.17 1bkd h GLU 646 Cb 0.64 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.00 1bkd h GLU 646 CO 0.04 0.20 -0.98 -0.09 -0.73 0.00 0.00 179.01 177.45 1bkd h ARG 647 N 0.00 0.10 -0.04 1.92 9.65 -0.44 -3.35 114.38 122.23 1bkd h ARG 647 Ca -0.00 -0.14 -0.04 0.00 -1.10 0.00 0.00 59.98 58.70 1bkd h ARG 647 Cb 0.46 0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.09 1bkd h ARG 647 CO 0.03 1.00 -0.11 0.35 2.80 0.00 0.00 179.97 184.03 1bkd h PHE 648 N 0.04 0.19 -0.36 2.20 3.57 -0.78 -3.39 116.94 118.41 1bkd h PHE 648 Ca -0.04 -0.07 -0.53 0.00 3.53 0.00 0.00 57.97 60.85 1bkd h PHE 648 Cb 1.69 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 40.37 1bkd h PHE 648 CO 0.02 0.73 1.87 0.39 -2.23 0.00 0.00 178.31 179.09 1bkd n GLU 649 N -4.65 2.02 -3.02 1.11 1.02 -0.89 -4.85 120.64 111.37 1bkd n GLU 649 Ca -0.08 -2.47 -0.40 0.00 -0.02 0.00 0.00 57.16 54.19 1bkd n GLU 649 Cb 0.37 -3.41 -0.05 0.00 -0.02 0.00 0.00 31.44 28.34 1bkd n GLU 649 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1bkd s ILE 650 N 7.16 4.99 0.16 -3.67 1.01 -1.26 -4.98 121.20 124.62 1bkd s ILE 650 Ca 0.60 1.43 -0.16 0.00 0.00 0.00 0.00 60.65 62.52 1bkd s ILE 650 Cb 0.06 -4.04 -0.07 0.00 0.01 0.00 0.00 42.46 38.42 1bkd s ILE 650 CO 0.10 0.15 0.60 -2.84 0.00 0.00 0.00 174.94 172.94 1bkd s PRO 651 N 1.47 4.06 0.36 2.79 0.02 -1.26 -5.08 135.00 137.37 1bkd s PRO 651 Ca 0.35 0.60 -0.20 0.00 0.02 0.00 0.00 61.00 61.78 1bkd s PRO 651 Cb -0.17 -2.93 -0.10 0.00 0.02 0.00 0.00 34.50 31.32 1bkd s PRO 651 CO 0.14 0.46 0.86 -1.21 -0.33 0.00 0.00 177.00 176.93 1bkd s GLU 652 N -1.93 4.20 0.08 5.54 2.02 -1.26 -4.64 118.70 122.71 1bkd s GLU 652 Ca 0.39 0.98 -0.20 0.00 0.02 0.00 0.00 54.97 56.16 1bkd s GLU 652 Cb -0.16 -2.40 -0.10 0.00 0.10 0.00 0.00 34.13 31.57 1bkd s GLU 652 CO 0.20 0.11 1.54 -1.35 0.02 0.00 0.00 175.26 175.77 1bkd h PRO 653 N 2.32 0.33 0.00 0.39 0.11 -1.89 -3.48 132.00 129.78 1bkd h PRO 653 Ca -0.48 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 65.54 1bkd h PRO 653 Cb 1.18 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1bkd h PRO 653 CO 0.63 0.49 0.00 2.89 -0.21 0.00 0.00 178.00 181.81 1bkd n ARG 676 N -4.74 0.00 0.00 1.05 1.85 -1.26 -5.04 116.66 108.52 1bkd n ARG 676 Ca -0.04 0.00 0.11 0.00 -1.00 0.00 0.00 57.85 56.92 1bkd n ARG 676 Cb 0.20 0.00 0.64 0.00 -1.05 0.00 0.00 32.46 32.25 1bkd n ARG 676 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1bkd n PHE 677 N 0.00 0.00 -1.46 2.89 7.35 -1.26 -4.33 117.46 120.65 1bkd n PHE 677 Ca 0.00 0.00 -0.40 0.00 -0.76 0.00 0.00 57.45 56.29 1bkd n PHE 677 Cb 0.00 -0.04 -0.02 0.00 0.35 0.00 0.00 39.48 39.77 1bkd n PHE 677 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1bkd n ARG 678 N -1.04 3.23 0.00 -4.13 5.12 -1.26 -2.61 116.66 115.97 1bkd n ARG 678 Ca 0.16 -2.33 0.00 0.00 -1.93 0.00 0.00 57.85 53.75 1bkd n ARG 678 Cb 0.09 -3.00 0.00 0.00 -1.16 0.00 0.00 32.46 28.39 1bkd n ARG 678 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1bkd n LYS 679 N 4.75 4.69 -0.38 5.56 5.02 -1.26 -4.23 118.16 132.31 1bkd n LYS 679 Ca 0.66 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 57.02 1bkd n LYS 679 Cb 0.30 -0.48 0.25 0.00 -0.02 0.00 0.00 35.03 35.08 1bkd n LYS 679 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1bkd n GLU 680 N -0.15 3.14 0.08 1.97 1.02 -1.07 -4.15 120.64 121.47 1bkd n GLU 680 Ca 0.00 -2.53 0.00 0.00 -0.02 0.00 0.00 57.16 54.61 1bkd n GLU 680 Cb 0.00 -1.61 0.00 0.00 -0.02 0.00 0.00 31.44 29.81 1bkd n GLU 680 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 1bkd n TYR 681 N 0.52 -1.37 -0.08 -0.32 4.19 -1.26 -4.81 117.16 114.02 1bkd n TYR 681 Ca 0.19 0.24 -0.15 0.00 3.31 0.00 0.00 57.90 61.50 1bkd n TYR 681 Cb 0.69 0.52 -0.04 0.00 0.49 0.00 0.00 39.34 40.99 1bkd n TYR 681 CO 0.00 0.00 0.00 0.82 0.91 0.00 0.00 176.86 178.59 1bkd h ILE 682 N 0.00 1.28 -0.15 2.97 2.04 -1.83 -2.27 117.51 119.55 1bkd h ILE 682 Ca 0.00 -1.69 -0.03 0.00 1.00 0.00 0.00 64.86 64.14 1bkd h ILE 682 Cb 0.03 1.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 1bkd h ILE 682 CO 0.00 0.55 -0.01 1.56 0.00 0.00 0.00 178.15 180.26 1bkd h GLN 683 N 0.64 0.27 -0.06 2.37 1.08 -1.80 -2.70 115.11 114.92 1bkd h GLN 683 Ca 0.02 -0.09 -0.18 0.00 -1.45 0.00 0.00 58.65 56.95 1bkd h GLN 683 Cb 1.12 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.52 1bkd h GLN 683 CO 0.12 0.51 -0.74 -1.00 -0.95 0.00 0.00 178.83 176.77 1bkd h PRO 684 N 0.00 0.35 -0.27 1.46 0.13 -1.77 -2.86 132.00 129.04 1bkd h PRO 684 Ca 0.04 -0.29 -0.03 0.00 -0.87 0.00 0.00 66.00 64.85 1bkd h PRO 684 Cb 0.39 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.57 1bkd h PRO 684 CO 0.01 0.94 0.04 0.28 -0.23 0.00 0.00 178.00 179.04 1bkd h VAL 685 N 0.23 1.23 -0.06 1.56 2.07 -1.46 -1.37 116.25 118.45 1bkd h VAL 685 Ca -0.03 -0.80 -0.02 0.00 0.82 0.00 0.00 66.70 66.67 1bkd h VAL 685 Cb 1.31 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 32.31 1bkd h VAL 685 CO 0.12 0.26 -0.05 1.56 0.02 0.00 0.00 177.57 179.48 1bkd h GLN 686 N 0.26 0.08 0.10 1.57 4.20 -1.55 -1.63 115.11 118.15 1bkd h GLN 686 Ca 0.08 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 1bkd h GLN 686 Cb 0.34 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.11 1bkd h GLN 686 CO 0.01 0.14 -0.05 1.25 -0.67 0.00 0.00 178.83 179.51 1bkd h LEU 687 N 0.08 -0.12 -1.00 1.46 5.85 -1.18 -2.59 115.31 117.81 1bkd h LEU 687 Ca 0.02 -0.30 -0.00 0.00 0.84 0.00 0.00 57.88 58.44 1bkd h LEU 687 Cb 0.14 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.16 1bkd h LEU 687 CO 0.01 0.25 0.59 0.03 -0.34 0.00 0.00 178.44 178.97 1bkd h ARG 688 N -0.49 1.27 -0.49 1.25 2.47 -0.94 -1.47 114.38 115.97 1bkd h ARG 688 Ca -0.01 -0.10 0.04 0.00 -1.26 0.00 0.00 59.98 58.65 1bkd h ARG 688 Cb 0.41 -0.27 -0.04 0.00 -1.65 0.00 0.00 29.97 28.41 1bkd h ARG 688 CO 0.02 0.87 0.25 0.28 0.56 0.00 0.00 179.97 181.95 1bkd h VAL 689 N 1.29 0.97 0.00 2.04 2.07 -1.27 -1.65 116.25 119.70 1bkd h VAL 689 Ca 0.34 -0.17 -0.09 0.00 0.82 0.00 0.00 66.70 67.60 1bkd h VAL 689 Cb -0.09 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 1bkd h VAL 689 CO -0.07 0.09 -0.41 -0.07 0.02 0.00 0.00 177.57 177.13 1bkd h LEU 690 N 0.49 0.00 -0.72 2.57 3.38 -1.02 -2.18 115.31 117.83 1bkd h LEU 690 Ca 0.21 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.10 1bkd h LEU 690 Cb 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1bkd h LEU 690 CO -0.14 0.41 -0.38 0.78 0.09 0.00 0.00 178.44 179.20 1bkd h ASN 691 N 0.00 0.00 -0.03 -0.43 2.35 -0.71 -1.75 115.58 115.00 1bkd h ASN 691 Ca -0.00 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.62 1bkd h ASN 691 Cb 0.86 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.24 1bkd h ASN 691 CO 0.05 0.38 -0.48 0.58 -1.65 0.00 0.00 177.43 176.31 1bkd h VAL 692 N 0.00 1.43 -0.77 2.81 2.07 -1.00 -2.38 116.25 118.41 1bkd h VAL 692 Ca -0.00 -1.94 0.04 0.00 0.82 0.00 0.00 66.70 65.62 1bkd h VAL 692 Cb 1.00 2.48 -0.05 0.00 -1.52 0.00 0.00 31.29 33.20 1bkd h VAL 692 CO 0.05 0.56 0.48 0.00 0.02 0.00 0.00 177.57 178.68 1bkd h ARG 694 N 0.92 0.26 -0.81 0.00 2.43 -1.32 -1.16 114.38 114.70 1bkd h ARG 694 Ca 0.31 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.43 1bkd h ARG 694 Cb 0.06 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.52 1bkd h ARG 694 CO -0.13 0.26 0.40 1.25 -1.51 0.00 0.00 179.97 180.24 1bkd h HIS 695 N 0.19 1.15 0.39 2.20 2.76 -0.96 0.07 115.15 120.95 1bkd h HIS 695 Ca 0.07 -0.05 -0.02 0.00 -2.20 0.00 0.00 60.37 58.17 1bkd h HIS 695 Cb 0.08 -0.36 0.00 0.00 1.55 0.00 0.00 27.41 28.68 1bkd h HIS 695 CO -0.04 0.83 -0.19 2.35 -1.30 0.00 0.00 177.93 179.58 1bkd h TRP 696 N 1.15 -0.48 0.00 5.26 2.91 -0.57 -0.71 115.95 123.51 1bkd h TRP 696 Ca 0.28 -0.01 -0.06 0.00 1.13 0.00 0.00 58.89 60.23 1bkd h TRP 696 Cb 0.09 0.16 -0.01 0.00 -0.51 0.00 0.00 29.16 28.89 1bkd h TRP 696 CO 0.01 -0.23 -0.30 0.28 -1.03 0.00 0.00 178.44 177.18 1bkd h VAL 697 N -0.65 1.14 0.03 2.65 2.07 -1.08 -0.41 116.25 120.00 1bkd h VAL 697 Ca -0.05 -1.05 -0.00 0.00 0.82 0.00 0.00 66.70 66.41 1bkd h VAL 697 Cb 0.47 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 1bkd h VAL 697 CO 0.09 0.29 -0.02 -0.08 0.02 0.00 0.00 177.57 177.88 1bkd h GLU 698 N 0.00 -0.04 -0.00 1.57 4.57 -0.87 -3.34 114.58 116.47 1bkd h GLU 698 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1bkd h GLU 698 Cb 0.56 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.16 1bkd h GLU 698 CO 0.04 0.42 -0.75 0.72 -1.18 0.00 0.00 179.01 178.26 1bkd n HIS 699 N -4.74 0.00 -2.66 0.92 8.25 -0.28 -4.50 115.22 112.20 1bkd n HIS 699 Ca -0.05 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.33 1bkd n HIS 699 Cb 0.23 -0.10 0.04 0.00 1.12 0.00 0.00 29.99 31.28 1bkd n HIS 699 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1bkd n HIS 700 N -1.39 1.55 0.30 4.41 8.25 -0.17 -4.90 115.22 123.27 1bkd n HIS 700 Ca 0.05 -2.45 0.19 0.00 -0.26 0.00 0.00 57.72 55.25 1bkd n HIS 700 Cb 0.34 -0.28 0.99 0.00 1.12 0.00 0.00 29.99 32.16 1bkd n HIS 700 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 1bkd h PHE 701 N 2.70 0.00 -0.30 4.41 3.57 -1.68 -2.36 116.94 123.28 1bkd h PHE 701 Ca -0.04 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.55 1bkd h PHE 701 Cb 1.24 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.97 1bkd h PHE 701 CO 0.56 0.00 0.23 0.10 -2.23 0.00 0.00 178.31 176.98 1bkd h TYR 702 N 0.00 0.00 -0.45 0.41 -0.00 -1.91 0.12 116.97 115.14 1bkd h TYR 702 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 58.71 1bkd h TYR 702 Cb 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 36.80 1bkd h TYR 702 CO 0.00 0.00 0.18 -0.44 -0.00 0.00 0.00 178.16 177.90 1bkd h ASP 703 N 0.00 0.58 1.08 0.10 5.19 -1.81 -2.01 116.42 119.55 1bkd h ASP 703 Ca 0.14 -0.06 -0.10 0.00 -0.62 0.00 0.00 57.03 56.39 1bkd h ASP 703 Cb 0.61 -0.15 -0.02 0.00 0.18 0.00 0.00 39.33 39.95 1bkd h ASP 703 CO -0.00 0.53 -0.97 -0.26 -3.12 0.00 0.00 179.24 175.42 1bkd h PHE 704 N 0.64 0.00 0.00 4.55 0.04 -0.99 -3.15 116.94 118.04 1bkd h PHE 704 Ca 0.16 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.81 1bkd h PHE 704 Cb 0.13 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.27 1bkd h PHE 704 CO 0.01 0.36 -0.55 0.93 -0.60 0.00 0.00 178.31 178.46 1bkd h GLU 705 N 0.00 0.00 0.00 1.51 5.08 -1.04 -3.21 114.58 116.93 1bkd h GLU 705 Ca -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1bkd h GLU 705 Cb 1.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.59 1bkd h GLU 705 CO 0.03 0.55 -0.55 0.54 -1.00 0.00 0.00 179.01 178.58 1bkd n ARG 706 N -3.45 0.18 -3.40 2.33 1.74 -0.79 -4.67 116.66 108.59 1bkd n ARG 706 Ca 0.00 0.05 -0.20 0.00 -0.77 0.00 0.00 57.85 56.94 1bkd n ARG 706 Cb 0.66 -1.61 -0.10 0.00 -1.02 0.00 0.00 32.46 30.39 1bkd n ARG 706 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1bkd s ASP 707 N -3.75 1.81 0.29 0.55 -1.08 -1.19 -5.02 116.67 108.28 1bkd s ASP 707 Ca 0.08 -1.38 0.03 0.00 -0.52 0.00 0.00 52.55 50.76 1bkd s ASP 707 Cb 0.15 0.32 0.65 0.00 -1.46 0.00 0.00 42.92 42.58 1bkd s ASP 707 CO 0.70 -0.32 1.77 0.00 0.52 0.00 0.00 175.17 177.84 1bkd h ALA 708 N 7.56 1.51 -0.14 3.66 0.00 -1.83 0.30 119.26 130.31 1bkd h ALA 708 Ca -0.03 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1bkd h ALA 708 Cb 1.04 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1bkd h ALA 708 CO 0.27 -0.05 -0.23 -0.92 0.00 0.00 0.00 179.25 178.32 1bkd h TYR 709 N 0.72 0.27 -0.75 0.00 3.20 -1.95 -1.68 116.97 116.78 1bkd h TYR 709 Ca 0.53 -0.05 -0.03 0.00 3.14 0.00 0.00 58.73 62.33 1bkd h TYR 709 Cb 0.78 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.95 1bkd h TYR 709 CO -0.04 0.47 0.36 1.25 -1.64 0.00 0.00 178.16 178.56 1bkd h LEU 710 N 0.23 0.98 -0.36 2.82 5.85 -1.29 -0.84 115.31 122.70 1bkd h LEU 710 Ca 0.04 -0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.57 1bkd h LEU 710 Cb 0.54 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 1bkd h LEU 710 CO 0.04 0.84 0.01 0.25 -0.34 0.00 0.00 178.44 179.24 1bkd h LEU 711 N 1.05 0.60 0.01 2.25 5.85 -1.23 -2.45 115.31 121.40 1bkd h LEU 711 Ca 0.26 -0.30 0.03 0.00 0.84 0.00 0.00 57.88 58.71 1bkd h LEU 711 Cb 0.12 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 1bkd h LEU 711 CO -0.03 0.75 -0.26 -0.61 -0.34 0.00 0.00 178.44 177.95 1bkd h GLN 712 N 0.44 -0.40 -0.64 1.25 4.15 -0.87 0.16 115.11 119.20 1bkd h GLN 712 Ca 0.10 0.03 0.11 0.00 0.77 0.00 0.00 58.65 59.66 1bkd h GLN 712 Cb 0.44 0.09 -0.04 0.00 0.21 0.00 0.00 27.48 28.18 1bkd h GLN 712 CO 0.02 -0.26 0.43 0.00 -1.93 0.00 0.00 178.83 177.08 1bkd h ARG 713 N -0.41 0.39 -0.24 1.69 3.08 -1.11 0.12 114.38 117.90 1bkd h ARG 713 Ca 0.06 -0.02 -0.16 0.00 0.07 0.00 0.00 59.98 59.93 1bkd h ARG 713 Cb 0.49 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1bkd h ARG 713 CO -0.22 0.25 -0.47 0.52 -1.07 0.00 0.00 179.97 178.99 1bkd h MET 714 N 0.40 0.73 -0.14 0.04 2.86 -0.68 -1.11 114.93 117.03 1bkd h MET 714 Ca 0.30 -0.47 -0.12 0.00 -2.06 0.00 0.00 59.70 57.35 1bkd h MET 714 Cb 0.65 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.35 1bkd h MET 714 CO -0.09 1.10 -0.44 0.93 1.06 0.00 0.00 176.91 179.47 1bkd h GLU 715 N 0.46 0.33 -0.27 1.72 5.08 0.67 -0.08 114.58 122.49 1bkd h GLU 715 Ca 0.01 -0.17 -0.15 0.00 -1.00 0.00 0.00 59.36 58.05 1bkd h GLU 715 Cb 1.07 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.33 1bkd h GLU 715 CO 0.10 0.71 -0.41 0.93 -1.00 0.00 0.00 179.01 179.35 1bkd h GLU 716 N 0.27 0.76 -0.37 2.33 5.08 -0.81 -2.06 114.58 119.79 1bkd h GLU 716 Ca 0.02 -0.45 -0.06 0.00 -1.00 0.00 0.00 59.36 57.87 1bkd h GLU 716 Cb 0.89 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 1bkd h GLU 716 CO 0.07 1.08 0.01 0.35 -1.00 0.00 0.00 179.01 179.52 1bkd h PHE 717 N 0.51 0.70 -0.75 4.33 3.57 -1.03 -2.62 116.94 121.66 1bkd h PHE 717 Ca 0.03 -0.12 0.02 0.00 3.53 0.00 0.00 57.97 61.42 1bkd h PHE 717 Cb 1.01 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 39.52 1bkd h PHE 717 CO 0.08 0.74 0.49 0.82 -2.23 0.00 0.00 178.31 178.20 1bkd h ILE 718 N 0.47 1.16 0.00 1.41 1.08 -1.01 -1.49 117.51 119.12 1bkd h ILE 718 Ca 0.11 -0.34 0.00 0.00 -0.39 0.00 0.00 64.86 64.24 1bkd h ILE 718 Cb 0.45 0.09 0.00 0.00 -3.07 0.00 0.00 36.82 34.30 1bkd h ILE 718 CO 0.02 0.18 0.00 0.61 -0.69 0.00 0.00 178.15 178.27 1bkd n GLY 719 N -1.30 -0.65 0.29 5.37 0.00 -0.78 -2.46 105.19 105.65 1bkd n GLY 719 Ca 0.08 -0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.09 1bkd n GLY 719 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1bkd n THR 720 N -0.98 0.00 -1.81 2.61 -1.04 -0.56 -4.94 114.28 107.55 1bkd n THR 720 Ca 0.15 -0.15 -0.42 0.00 -2.04 0.00 0.00 64.05 61.59 1bkd n THR 720 Cb 0.07 0.85 -0.03 0.00 -1.82 0.00 0.00 70.33 69.40 1bkd n THR 720 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1bkd s VAL 721 N -2.63 2.50 -0.16 12.58 1.01 -1.03 -4.94 120.40 127.74 1bkd s VAL 721 Ca 0.18 0.22 -0.13 0.00 0.00 0.00 0.00 61.98 62.25 1bkd s VAL 721 Cb 0.18 -3.14 -0.09 0.00 0.00 0.00 0.00 36.38 33.33 1bkd s VAL 721 CO 0.62 0.01 0.01 0.03 0.00 0.00 0.00 175.10 175.77 1bkd h ARG 722 N 7.56 0.00 -4.38 2.72 3.08 -1.92 -3.46 114.38 117.98 1bkd h ARG 722 Ca -0.44 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 58.99 1bkd h ARG 722 Cb 1.21 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.25 1bkd h ARG 722 CO 0.94 0.36 0.63 0.41 -1.07 0.00 0.00 179.97 181.25 1bkd n GLY 723 N 1.58 0.07 0.36 0.04 0.00 -1.26 -4.80 105.19 101.18 1bkd n GLY 723 Ca -0.14 0.76 0.13 0.00 0.00 0.00 0.00 46.02 46.77 1bkd n GLY 723 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bkd h LYS 724 N 4.47 0.34 0.17 1.61 1.57 -2.01 0.10 116.57 122.83 1bkd h LYS 724 Ca -0.25 -0.02 -0.33 0.00 -1.87 0.00 0.00 60.65 58.17 1bkd h LYS 724 Cb 1.01 -0.08 0.01 0.00 0.08 0.00 0.00 32.23 33.25 1bkd h LYS 724 CO 0.74 0.23 -1.63 0.00 -0.57 0.00 0.00 179.45 178.22 1bkd h ALA 725 N 1.70 0.15 -0.42 3.86 0.00 -2.02 -3.35 119.26 119.18 1bkd h ALA 725 Ca 0.29 -1.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.08 1bkd h ALA 725 Cb 0.64 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1bkd h ALA 725 CO -0.07 1.02 0.15 0.52 0.00 0.00 0.00 179.25 180.86 1bkd h MET 726 N 0.10 0.59 -0.61 0.00 2.86 -1.53 -2.81 114.93 113.54 1bkd h MET 726 Ca -0.29 -0.08 0.03 0.00 -2.06 0.00 0.00 59.70 57.30 1bkd h MET 726 Cb 2.08 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 33.59 1bkd h MET 726 CO 0.19 0.51 0.36 0.87 1.06 0.00 0.00 176.91 179.90 1bkd h LYS 727 N 0.59 0.69 -0.06 1.72 1.57 -1.00 0.22 116.57 120.30 1bkd h LYS 727 Ca 0.14 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.84 1bkd h LYS 727 Cb 0.15 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1bkd h LYS 727 CO -0.01 0.45 -0.16 -0.22 -0.57 0.00 0.00 179.45 178.94 1bkd h LYS 728 N 0.71 0.09 0.20 3.15 1.63 -1.66 -2.03 116.57 118.66 1bkd h LYS 728 Ca 0.25 -0.02 -0.32 0.00 -0.85 0.00 0.00 60.65 59.72 1bkd h LYS 728 Cb 0.05 -0.01 0.03 0.00 -0.60 0.00 0.00 32.23 31.70 1bkd h LYS 728 CO -0.12 0.25 -1.39 2.35 -3.45 0.00 0.00 179.45 177.10 1bkd h TRP 729 N 0.08 0.84 0.00 1.91 7.01 -1.28 -3.27 115.95 121.25 1bkd h TRP 729 Ca 0.02 -0.61 0.00 0.00 2.11 0.00 0.00 58.89 60.41 1bkd h TRP 729 Cb 0.34 -0.04 0.00 0.00 -2.10 0.00 0.00 29.16 27.36 1bkd h TRP 729 CO 0.00 1.47 0.00 0.28 -2.79 0.00 0.00 178.44 177.40 1bkd n VAL 730 N -3.67 0.89 0.23 2.65 0.31 0.71 -2.45 118.33 117.00 1bkd n VAL 730 Ca -0.14 0.23 0.09 0.00 -0.01 0.00 0.00 64.34 64.51 1bkd n VAL 730 Cb 1.07 -1.06 0.56 0.00 -0.91 0.00 0.00 33.84 33.49 1bkd n VAL 730 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1bkd h GLU 731 N 0.00 0.00 -0.18 5.55 5.08 -1.43 -1.95 114.58 121.64 1bkd h GLU 731 Ca 0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 1bkd h GLU 731 Cb 0.32 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1bkd h GLU 731 CO 0.00 0.21 -0.29 0.77 -1.00 0.00 0.00 179.01 178.71 1bkd h SER 732 N 0.00 0.36 -0.22 1.42 0.02 -1.69 -1.64 113.55 111.80 1bkd h SER 732 Ca -0.00 -0.12 -0.12 0.00 -0.84 0.00 0.00 61.79 60.70 1bkd h SER 732 Cb 0.55 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.99 1bkd h SER 732 CO 0.03 0.64 -0.34 0.40 -1.14 0.00 0.00 176.83 176.42 1bkd h ILE 733 N 0.31 1.32 -0.82 3.27 2.04 -1.55 -2.95 117.51 119.14 1bkd h ILE 733 Ca 0.04 -1.54 -0.01 0.00 1.00 0.00 0.00 64.86 64.35 1bkd h ILE 733 Cb 0.67 1.78 -0.04 0.00 -0.74 0.00 0.00 36.82 38.50 1bkd h ILE 733 CO 0.05 0.48 0.48 0.74 0.00 0.00 0.00 178.15 179.90 1bkd h THR 734 N 0.31 1.23 -0.81 -0.27 2.02 -1.29 -2.45 112.91 111.65 1bkd h THR 734 Ca 0.02 -0.53 -0.03 0.00 0.77 0.00 0.00 66.41 66.64 1bkd h THR 734 Cb 0.92 0.10 -0.04 0.00 -1.74 0.00 0.00 68.15 67.39 1bkd h THR 734 CO 0.08 0.25 0.37 0.50 0.37 0.00 0.00 175.52 177.08 1bkd h LYS 735 N 1.13 1.17 -0.47 6.66 1.63 -1.24 -1.84 116.57 123.61 1bkd h LYS 735 Ca 0.29 -0.18 -0.02 0.00 -0.85 0.00 0.00 60.65 59.88 1bkd h LYS 735 Cb -0.02 -0.21 -0.02 0.00 -0.60 0.00 0.00 32.23 31.38 1bkd h LYS 735 CO -0.05 0.92 0.21 0.82 -3.45 0.00 0.00 179.45 177.89 1bkd h ILE 736 N 1.15 1.20 0.08 2.00 2.04 -1.28 -1.70 117.51 121.00 1bkd h ILE 736 Ca 0.27 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 65.55 1bkd h ILE 736 Cb 0.15 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 1bkd h ILE 736 CO -0.03 0.22 -0.08 0.40 0.00 0.00 0.00 178.15 178.66 1bkd h ILE 737 N 0.62 0.80 -0.25 -0.67 2.04 -1.08 -2.10 117.51 116.87 1bkd h ILE 737 Ca 0.16 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.04 1bkd h ILE 737 Cb 0.16 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 1bkd h ILE 737 CO -0.02 0.00 0.17 1.56 0.00 0.00 0.00 178.15 179.86 1bkd h GLN 738 N -0.19 0.24 -0.43 2.37 4.20 -1.22 -2.20 115.11 117.88 1bkd h GLN 738 Ca 0.01 -0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.61 1bkd h GLN 738 Cb 0.18 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 1bkd h GLN 738 CO -0.03 0.16 -0.10 -0.09 -0.67 0.00 0.00 178.83 178.10 1bkd h ARG 739 N 0.24 0.82 0.00 1.46 2.43 -0.77 -3.00 114.38 115.58 1bkd h ARG 739 Ca 0.10 -0.31 0.00 0.00 -0.81 0.00 0.00 59.98 58.96 1bkd h ARG 739 Cb 0.11 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 1bkd h ARG 739 CO -0.02 0.94 0.00 1.63 -1.51 0.00 0.00 179.97 181.01 1bkd n LYS 740 N -4.30 0.54 -1.49 0.20 4.76 -0.83 -5.11 118.16 111.93 1bkd n LYS 740 Ca -0.01 0.00 0.01 0.00 -2.87 0.00 0.00 58.31 55.44 1bkd n LYS 740 Cb 0.37 -1.05 0.08 0.00 -1.84 0.00 0.00 35.03 32.59 1bkd n LYS 740 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1bkd n LYS 741 N -0.55 1.17 0.00 1.97 5.02 -1.14 -5.10 118.16 119.53 1bkd n LYS 741 Ca 0.01 -2.88 0.00 0.00 -2.02 0.00 0.00 58.31 53.42 1bkd n LYS 741 Cb 0.01 -1.01 0.00 0.00 -0.02 0.00 0.00 35.03 34.01 1bkd n LYS 741 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1bkd n ILE 752 N -0.31 0.00 -3.20 -0.18 2.08 -1.26 -5.11 119.36 111.38 1bkd n ILE 752 Ca 0.14 0.00 -0.42 0.00 0.56 0.00 0.00 62.75 63.04 1bkd n ILE 752 Cb 0.93 0.00 -0.07 0.00 -0.75 0.00 0.00 39.64 39.75 1bkd n ILE 752 CO 0.00 0.00 0.00 -0.89 0.56 0.00 0.00 176.55 176.22 1bkd s THR 753 N 0.00 4.97 0.65 1.39 2.01 -1.26 -5.06 115.64 118.34 1bkd s THR 753 Ca 0.00 0.35 -0.12 0.00 0.31 0.00 0.00 61.69 62.23 1bkd s THR 753 Cb 0.00 -4.02 -0.01 0.00 0.01 0.00 0.00 72.50 68.48 1bkd s THR 753 CO 0.00 -0.29 1.05 -0.36 -0.69 0.00 0.00 174.62 174.33 1bkd s PHE 754 N 2.51 3.13 0.00 4.92 0.08 -1.26 -5.01 117.98 122.35 1bkd s PHE 754 Ca 0.20 1.44 0.00 0.00 0.12 0.00 0.00 56.93 58.69 1bkd s PHE 754 Cb -0.15 -2.90 0.00 0.00 -0.57 0.00 0.00 43.02 39.40 1bkd s PHE 754 CO 0.14 -1.12 0.86 1.04 -0.10 0.00 0.00 175.22 176.04 1bkd n GLN 755 N -2.74 0.00 -3.13 0.44 6.02 -1.26 -4.77 117.38 111.94 1bkd n GLN 755 Ca 0.08 0.40 -0.24 0.00 -0.01 0.00 0.00 57.00 57.22 1bkd n GLN 755 Cb 0.53 -1.36 -0.00 0.00 1.02 0.00 0.00 30.24 30.43 1bkd n GLN 755 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1bkd s SER 756 N -2.08 6.13 0.17 1.08 0.01 -1.26 -5.06 113.70 112.70 1bkd s SER 756 Ca 0.00 0.47 -0.30 0.00 1.31 0.00 0.00 55.95 57.43 1bkd s SER 756 Cb 0.00 -1.90 -0.08 0.00 0.21 0.00 0.00 66.02 64.25 1bkd s SER 756 CO 0.00 -0.48 1.23 -0.55 0.41 0.00 0.00 173.24 173.85 1bkd s SER 757 N -4.11 7.04 0.32 2.44 0.15 -1.26 -4.96 113.70 113.32 1bkd s SER 757 Ca 0.44 2.24 -0.28 0.00 0.70 0.00 0.00 55.95 59.06 1bkd s SER 757 Cb -0.10 -2.60 -0.13 0.00 -1.71 0.00 0.00 66.02 61.48 1bkd s SER 757 CO 0.38 -0.42 1.09 -0.81 1.20 0.00 0.00 173.24 174.68 1bkd n PRO 758 N 2.73 1.57 -1.50 5.44 -0.04 -1.26 -4.90 135.00 137.04 1bkd n PRO 758 Ca 0.05 0.55 -0.38 0.00 -0.04 0.00 0.00 63.50 63.69 1bkd n PRO 758 Cb 0.44 -2.00 0.05 0.00 -0.04 0.00 0.00 33.50 31.95 1bkd n PRO 758 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1bkd n PRO 759 N 0.61 0.60 -1.97 0.54 -0.04 -1.26 -4.87 135.00 128.60 1bkd n PRO 759 Ca 0.08 0.24 -0.41 0.00 -0.04 0.00 0.00 63.50 63.37 1bkd n PRO 759 Cb 0.34 -1.85 -0.01 0.00 -0.04 0.00 0.00 33.50 31.94 1bkd n PRO 759 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1bkd s THR 760 N -1.68 2.41 0.01 0.52 2.01 -1.26 -4.54 115.64 113.11 1bkd s THR 760 Ca 0.71 0.41 -0.30 0.00 0.31 0.00 0.00 61.69 62.82 1bkd s THR 760 Cb -0.43 -3.26 -0.08 0.00 0.01 0.00 0.00 72.50 68.75 1bkd s THR 760 CO 0.52 0.09 1.89 -0.69 -0.69 0.00 0.00 174.62 175.74 1bkd s VAL 761 N -1.15 3.18 0.22 3.82 1.01 -1.26 -4.95 120.40 121.26 1bkd s VAL 761 Ca 0.52 0.21 -0.26 0.00 0.00 0.00 0.00 61.98 62.45 1bkd s VAL 761 Cb -0.42 -3.14 -0.09 0.00 0.00 0.00 0.00 36.38 32.73 1bkd s VAL 761 CO 0.57 -0.02 0.85 -0.70 0.00 0.00 0.00 175.10 175.80 1bkd s GLU 762 N 4.38 4.63 0.08 2.72 2.56 -1.26 -5.08 118.70 126.74 1bkd s GLU 762 Ca 0.85 1.26 0.05 0.00 0.00 0.00 0.00 54.97 57.12 1bkd s GLU 762 Cb -0.40 -3.15 -0.03 0.00 2.00 0.00 0.00 34.13 32.55 1bkd s GLU 762 CO 0.38 0.49 -0.12 -1.58 -0.56 0.00 0.00 175.26 173.86 1bkd s TRP 763 N -1.28 1.14 0.00 5.30 0.52 -1.26 -4.61 118.94 118.75 1bkd s TRP 763 Ca 0.41 -0.52 0.00 0.00 0.02 0.00 0.00 56.10 56.00 1bkd s TRP 763 Cb -0.23 -0.63 0.00 0.00 -1.15 0.00 0.00 33.47 31.46 1bkd s TRP 763 CO 0.27 0.04 0.00 1.58 0.02 0.00 0.00 176.95 178.86 1bkd n HIS 764 N 1.02 0.00 -0.03 -1.98 -0.00 -1.26 -4.81 115.22 108.17 1bkd n HIS 764 Ca -0.19 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 57.89 1bkd n HIS 764 Cb 0.55 0.00 0.05 0.00 -0.12 0.00 0.00 29.99 30.48 1bkd n HIS 764 CO 0.00 0.00 0.00 0.82 0.46 0.00 0.00 176.34 177.62 1bkd h ILE 765 N 0.00 1.30 -3.49 3.57 2.04 -1.69 -3.43 117.51 115.81 1bkd h ILE 765 Ca 0.00 -1.67 -0.53 0.00 1.00 0.00 0.00 64.86 63.66 1bkd h ILE 765 Cb 0.00 1.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.66 1bkd h ILE 765 CO 0.00 0.53 0.21 -0.44 0.00 0.00 0.00 178.15 178.45 1bkd s SER 766 N -6.89 7.33 0.17 1.72 0.01 -0.71 -5.05 113.70 110.28 1bkd s SER 766 Ca -0.08 1.58 -0.08 0.00 1.31 0.00 0.00 55.95 58.68 1bkd s SER 766 Cb 0.12 -2.51 -0.06 0.00 0.21 0.00 0.00 66.02 63.78 1bkd s SER 766 CO 0.85 0.04 0.46 -0.13 0.41 0.00 0.00 173.24 174.87 1bkd s ARG 767 N -0.31 3.73 0.04 12.44 0.52 -1.26 -4.94 118.95 129.17 1bkd s ARG 767 Ca 0.40 0.13 -0.35 0.00 -0.52 0.00 0.00 55.73 55.39 1bkd s ARG 767 Cb -0.22 -2.78 -0.14 0.00 0.52 0.00 0.00 34.95 32.33 1bkd s ARG 767 CO 0.25 0.41 1.64 -0.35 0.02 0.00 0.00 175.30 177.27 1bkd n PRO 768 N 0.12 1.89 0.00 3.54 -0.04 -1.26 -1.58 135.00 137.67 1bkd n PRO 768 Ca -0.02 0.69 0.00 0.00 -0.04 0.00 0.00 63.50 64.13 1bkd n PRO 768 Cb 0.52 -2.45 0.00 0.00 -0.04 0.00 0.00 33.50 31.53 1bkd n PRO 768 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bkd n GLY 769 N 3.61 2.91 2.75 0.55 0.00 -1.26 -4.99 105.19 108.76 1bkd n GLY 769 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1bkd n GLY 769 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1bkd n HIS 770 N -0.98 3.29 -0.16 1.61 8.25 -0.61 -4.78 115.22 121.83 1bkd n HIS 770 Ca 0.00 -2.92 -0.02 0.00 -0.26 0.00 0.00 57.72 54.52 1bkd n HIS 770 Cb 0.00 -2.36 0.07 0.00 1.12 0.00 0.00 29.99 28.83 1bkd n HIS 770 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1bkd h ILE 771 N 3.86 0.72 -1.02 1.59 2.04 -1.94 -2.32 117.51 120.43 1bkd h ILE 771 Ca 0.53 -0.09 0.26 0.00 1.00 0.00 0.00 64.86 66.57 1bkd h ILE 771 Cb 0.62 0.45 -0.12 0.00 -0.74 0.00 0.00 36.82 37.02 1bkd h ILE 771 CO 1.80 0.05 0.62 -0.33 0.00 0.00 0.00 178.15 180.29 1bkd h GLU 772 N 0.25 0.48 0.00 2.37 5.08 -2.00 -0.30 114.58 120.48 1bkd h GLU 772 Ca 0.26 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.57 1bkd h GLU 772 Cb 0.34 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 1bkd h GLU 772 CO -0.33 0.32 -0.10 1.15 -1.00 0.00 0.00 179.01 179.05 1bkd h THR 773 N 0.50 0.19 -2.22 1.13 2.02 -1.83 -3.46 112.91 109.23 1bkd h THR 773 Ca 0.65 -1.12 -0.62 0.00 0.77 0.00 0.00 66.41 66.09 1bkd h THR 773 Cb 1.38 1.96 0.07 0.00 -1.74 0.00 0.00 68.15 69.82 1bkd h THR 773 CO -0.44 0.10 0.51 0.49 0.37 0.00 0.00 175.52 176.54 1bkd n PHE 774 N -3.14 1.80 -3.75 3.16 3.01 -0.12 -4.77 117.46 113.65 1bkd n PHE 774 Ca 0.03 0.52 -0.00 0.00 1.01 0.00 0.00 57.45 59.00 1bkd n PHE 774 Cb 0.51 -2.40 -0.00 0.00 -0.01 0.00 0.00 39.48 37.59 1bkd n PHE 774 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1bkd s ASP 775 N 0.32 -0.07 0.51 4.37 -1.08 -1.26 -5.00 116.67 114.46 1bkd s ASP 775 Ca 0.74 -0.30 0.23 0.00 -0.52 0.00 0.00 52.55 52.70 1bkd s ASP 775 Cb -0.76 0.30 1.32 0.00 -1.46 0.00 0.00 42.92 42.32 1bkd s ASP 775 CO 0.48 -0.57 1.99 0.25 0.52 0.00 0.00 175.17 177.83 1bkd h LEU 776 N 2.00 0.08 0.00 -1.34 5.85 -1.93 -2.40 115.31 117.57 1bkd h LEU 776 Ca -0.27 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.45 1bkd h LEU 776 Cb 1.21 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.23 1bkd h LEU 776 CO 0.29 0.04 -0.85 0.18 -0.34 0.00 0.00 178.44 177.77 1bkd n LEU 777 N -4.40 0.52 0.07 2.25 4.77 -1.26 -4.54 117.00 114.41 1bkd n LEU 777 Ca 0.10 -0.40 -0.19 0.00 -0.03 0.00 0.00 56.01 55.50 1bkd n LEU 777 Cb 0.57 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.52 1bkd n LEU 777 CO 0.36 0.13 -0.37 0.71 -1.33 0.00 0.00 177.39 176.89 1bkd h THR 778 N 0.00 1.12 -4.43 -5.08 1.35 -1.76 -3.44 112.91 100.66 1bkd h THR 778 Ca 0.00 -2.73 -0.50 0.00 -0.55 0.00 0.00 66.41 62.63 1bkd h THR 778 Cb 0.39 2.78 0.08 0.00 -1.73 0.00 0.00 68.15 69.66 1bkd h THR 778 CO 0.00 0.83 0.41 -0.76 -0.25 0.00 0.00 175.52 175.74 1bkd s LEU 779 N -7.08 2.94 0.07 3.87 1.43 -0.94 -1.74 118.68 117.23 1bkd s LEU 779 Ca -0.10 1.22 -0.30 0.00 -1.03 0.00 0.00 54.13 53.92 1bkd s LEU 779 Cb 0.06 -4.05 -0.05 0.00 0.03 0.00 0.00 46.19 42.18 1bkd s LEU 779 CO 0.86 -1.32 1.02 -2.28 0.23 0.00 0.00 176.35 174.85 1bkd s HIS 780 N -3.29 3.68 0.35 0.29 5.65 -1.26 -4.76 115.29 115.95 1bkd s HIS 780 Ca 0.58 1.67 0.09 0.00 0.25 0.00 0.00 55.06 57.64 1bkd s HIS 780 Cb -0.11 -3.16 0.80 0.00 -1.18 0.00 0.00 32.58 28.93 1bkd s HIS 780 CO 0.53 -0.18 1.87 -1.00 -0.65 0.00 0.00 174.74 175.30 1bkd h PRO 781 N 6.14 0.69 -0.51 2.88 0.13 -1.89 -1.52 132.00 137.91 1bkd h PRO 781 Ca -0.42 -0.04 -0.07 0.00 -0.87 0.00 0.00 66.00 64.60 1bkd h PRO 781 Cb 1.21 -0.15 -0.02 0.00 0.13 0.00 0.00 31.00 32.17 1bkd h PRO 781 CO 0.74 0.45 0.05 0.82 -0.23 0.00 0.00 178.00 179.83 1bkd h ILE 782 N 0.71 1.26 -0.14 -3.56 2.04 -1.91 -2.70 117.51 113.20 1bkd h ILE 782 Ca 0.45 -1.01 -0.10 0.00 1.00 0.00 0.00 64.86 65.20 1bkd h ILE 782 Cb 0.71 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 1bkd h ILE 782 CO -0.21 0.36 -0.36 -0.08 0.00 0.00 0.00 178.15 177.85 1bkd h GLU 783 N 0.75 0.29 0.23 2.37 4.57 -1.63 -1.21 114.58 119.95 1bkd h GLU 783 Ca 0.15 -0.13 -0.01 0.00 -1.18 0.00 0.00 59.36 58.19 1bkd h GLU 783 Cb 0.45 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.04 1bkd h GLU 783 CO 0.02 0.62 -0.11 0.82 -1.18 0.00 0.00 179.01 179.18 1bkd h ILE 784 N 0.25 0.79 -0.64 2.32 2.04 -1.09 0.69 117.51 121.87 1bkd h ILE 784 Ca 0.03 -0.10 -0.02 0.00 1.00 0.00 0.00 64.86 65.77 1bkd h ILE 784 Cb 0.76 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 37.66 1bkd h ILE 784 CO 0.06 0.02 0.33 0.00 0.00 0.00 0.00 178.15 178.56 1bkd h ALA 785 N 0.41 1.38 0.09 1.87 0.00 -1.39 -0.79 119.26 120.82 1bkd h ALA 785 Ca -0.03 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1bkd h ALA 785 Cb 0.27 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1bkd h ALA 785 CO 0.05 0.50 -0.04 0.00 0.00 0.00 0.00 179.25 179.76 1bkd h ARG 786 N 0.89 -0.11 -0.17 0.00 3.08 -0.79 -1.27 114.38 116.01 1bkd h ARG 786 Ca 0.22 0.01 -0.10 0.00 0.07 0.00 0.00 59.98 60.19 1bkd h ARG 786 Cb 0.06 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 1bkd h ARG 786 CO -0.03 0.11 -0.32 1.96 -1.07 0.00 0.00 179.97 180.62 1bkd h GLN 787 N -0.32 0.35 0.00 0.04 1.08 -0.67 -1.65 115.11 113.93 1bkd h GLN 787 Ca -0.01 -0.14 -0.10 0.00 -1.45 0.00 0.00 58.65 56.95 1bkd h GLN 787 Cb 0.27 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.67 1bkd h GLN 787 CO 0.02 0.63 -0.49 -0.07 -0.95 0.00 0.00 178.83 177.97 1bkd h LEU 788 N 0.30 0.00 -0.20 1.46 3.38 -1.11 -1.28 115.31 117.87 1bkd h LEU 788 Ca 0.04 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.86 1bkd h LEU 788 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1bkd h LEU 788 CO 0.05 0.49 -0.45 0.74 0.09 0.00 0.00 178.44 179.36 1bkd h THR 789 N 0.00 1.32 -0.17 0.22 2.02 -0.71 0.92 112.91 116.52 1bkd h THR 789 Ca -0.00 -1.68 -0.01 0.00 0.77 0.00 0.00 66.41 65.49 1bkd h THR 789 Cb 0.91 1.87 -0.01 0.00 -1.74 0.00 0.00 68.15 69.18 1bkd h THR 789 CO 0.06 0.53 0.08 -0.07 0.37 0.00 0.00 175.52 176.49 1bkd h LEU 790 N 0.35 0.22 -0.06 2.58 3.38 -1.14 0.43 115.31 121.07 1bkd h LEU 790 Ca -0.00 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 57.87 1bkd h LEU 790 Cb 1.06 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 1bkd h LEU 790 CO 0.10 0.27 -0.07 -0.07 0.09 0.00 0.00 178.44 178.77 1bkd h LEU 791 N 0.15 -0.20 -1.39 1.67 3.38 -1.22 -0.85 115.31 116.85 1bkd h LEU 791 Ca 0.06 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 1bkd h LEU 791 Cb 0.11 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1bkd h LEU 791 CO -0.01 -0.09 -0.26 -0.33 0.09 0.00 0.00 178.44 177.84 1bkd h GLU 792 N -0.09 0.00 -0.03 1.13 5.08 -0.63 -1.79 114.58 118.26 1bkd h GLU 792 Ca 0.05 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.29 1bkd h GLU 792 Cb 0.16 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.41 1bkd h GLU 792 CO -0.11 0.26 -0.43 1.03 -1.00 0.00 0.00 179.01 178.76 1bkd h SER 793 N 0.00 0.43 -0.07 1.42 0.87 0.36 -2.02 113.55 114.54 1bkd h SER 793 Ca -0.00 -0.72 0.01 0.00 -1.23 0.00 0.00 61.79 59.85 1bkd h SER 793 Cb 0.62 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.43 1bkd h SER 793 CO 0.03 1.09 -0.02 0.44 -0.53 0.00 0.00 176.83 177.84 1bkd h ASP 794 N -0.20 -0.07 -0.83 6.23 3.32 -1.03 0.10 116.42 123.95 1bkd h ASP 794 Ca -0.05 0.02 0.10 0.00 0.02 0.00 0.00 57.03 57.13 1bkd h ASP 794 Cb 1.13 0.04 -0.08 0.00 0.22 0.00 0.00 39.33 40.65 1bkd h ASP 794 CO 0.09 -0.02 0.47 -0.07 -1.72 0.00 0.00 179.24 177.98 1bkd h LEU 795 N -0.00 0.66 -0.29 1.55 3.38 -1.37 -1.60 115.31 117.64 1bkd h LEU 795 Ca 0.03 0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 1bkd h LEU 795 Cb 0.05 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1bkd h LEU 795 CO -0.07 0.37 -0.10 0.22 0.09 0.00 0.00 178.44 178.95 1bkd h TYR 796 N 0.78 0.65 0.00 1.13 3.20 -0.85 -3.07 116.97 118.80 1bkd h TYR 796 Ca 0.41 -0.15 0.00 0.00 3.14 0.00 0.00 58.73 62.13 1bkd h TYR 796 Cb 0.40 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.51 1bkd h TYR 796 CO -0.06 0.79 0.00 0.54 -1.64 0.00 0.00 178.16 177.78 1bkd n ARG 797 N -4.47 0.08 0.00 1.82 1.74 0.31 -3.07 116.66 113.08 1bkd n ARG 797 Ca -0.03 0.35 0.12 0.00 -0.77 0.00 0.00 57.85 57.52 1bkd n ARG 797 Cb 0.34 -1.67 0.28 0.00 -1.02 0.00 0.00 32.46 30.39 1bkd n ARG 797 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1bkd n ALA 798 N -1.62 3.45 -2.51 7.54 0.00 -0.68 -4.89 120.51 121.79 1bkd n ALA 798 Ca 0.03 -0.33 -0.42 0.00 0.00 0.00 0.00 53.44 52.71 1bkd n ALA 798 Cb 0.18 -1.15 -0.03 0.00 0.00 0.00 0.00 19.45 18.46 1bkd n ALA 798 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1bkd s VAL 799 N -2.99 4.36 0.16 0.00 1.01 -1.17 -4.92 120.40 116.84 1bkd s VAL 799 Ca 0.12 1.67 -0.04 0.00 0.00 0.00 0.00 61.98 63.73 1bkd s VAL 799 Cb 0.18 -4.08 -0.05 0.00 0.00 0.00 0.00 36.38 32.43 1bkd s VAL 799 CO 0.68 0.02 0.39 -1.10 0.00 0.00 0.00 175.10 175.10 1bkd s GLN 800 N 1.97 3.60 0.64 2.72 -1.52 -1.26 -4.98 119.66 120.83 1bkd s GLN 800 Ca 0.55 -0.12 0.41 0.00 -1.95 0.00 0.00 55.36 54.24 1bkd s GLN 800 Cb -0.24 -2.83 2.19 0.00 -0.22 0.00 0.00 33.01 31.90 1bkd s GLN 800 CO 0.22 0.44 2.30 -1.35 -0.25 0.00 0.00 175.29 176.66 1bkd h PRO 801 N 2.62 0.00 0.00 2.91 0.11 -1.95 -0.96 132.00 134.73 1bkd h PRO 801 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1bkd h PRO 801 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1bkd h PRO 801 CO 0.72 0.01 0.00 -1.13 -0.21 0.00 0.00 178.00 177.38 1bkd n SER 802 N -3.22 0.00 -0.00 -2.05 3.41 -1.26 -1.02 113.62 109.47 1bkd n SER 802 Ca -0.03 -0.29 0.10 0.00 -0.26 0.00 0.00 58.87 58.40 1bkd n SER 802 Cb 0.11 -0.16 -0.13 0.00 -0.26 0.00 0.00 64.21 63.76 1bkd n SER 802 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1bkd n GLU 803 N -1.16 0.30 -0.09 4.33 1.02 -0.36 -4.58 120.64 120.10 1bkd n GLU 803 Ca 0.12 -0.09 -0.14 0.00 -0.02 0.00 0.00 57.16 57.03 1bkd n GLU 803 Cb 0.12 -1.51 -0.07 0.00 -0.02 0.00 0.00 31.44 29.96 1bkd n GLU 803 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1bkd n LEU 804 N -1.85 2.36 -4.68 -4.62 4.77 -0.64 -3.77 117.00 108.56 1bkd n LEU 804 Ca 0.00 0.02 -0.45 0.00 -0.03 0.00 0.00 56.01 55.56 1bkd n LEU 804 Cb 0.44 -0.56 -0.04 0.00 -2.33 0.00 0.00 43.42 40.93 1bkd n LEU 804 CO 0.44 0.63 1.19 0.52 -1.33 0.00 0.00 177.39 178.84 1bkd n VAL 805 N -3.28 0.24 -0.88 4.08 0.31 -0.19 -1.86 118.33 116.75 1bkd n VAL 805 Ca -0.32 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 63.95 1bkd n VAL 805 Cb 0.79 -1.62 0.00 0.00 -0.91 0.00 0.00 33.84 32.10 1bkd n VAL 805 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1bkd n GLY 806 N 3.18 0.47 2.38 2.92 0.00 -1.26 -3.77 105.19 109.12 1bkd n GLY 806 Ca 0.15 -0.82 -0.09 0.00 0.00 0.00 0.00 46.02 45.26 1bkd n GLY 806 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1bkd n SER 807 N 1.49 -3.12 -0.07 1.61 7.64 -0.77 -4.82 113.62 115.57 1bkd n SER 807 Ca 0.00 0.27 0.25 0.00 1.01 0.00 0.00 58.87 60.39 1bkd n SER 807 Cb 0.00 -2.72 0.72 0.00 -1.01 0.00 0.00 64.21 61.20 1bkd n SER 807 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1bkd h VAL 808 N 0.00 0.50 0.00 0.44 2.07 -1.65 -1.25 116.25 116.36 1bkd h VAL 808 Ca -0.22 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1bkd h VAL 808 Cb 1.11 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1bkd h VAL 808 CO 0.26 0.00 0.00 -2.67 0.02 0.00 0.00 177.57 175.18 1bkd n TRP 809 N -4.07 0.00 0.05 1.57 2.14 -1.25 -3.19 117.44 112.69 1bkd n TRP 809 Ca 0.14 0.00 0.08 0.00 2.07 0.00 0.00 57.50 59.79 1bkd n TRP 809 Cb 0.82 -0.10 -0.12 0.00 -0.81 0.00 0.00 31.31 31.09 1bkd n TRP 809 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 1bkd n THR 810 N -1.10 0.00 -1.60 -1.67 -2.24 -0.47 -4.79 114.28 102.40 1bkd n THR 810 Ca 0.17 -0.35 -0.29 0.00 -2.27 0.00 0.00 64.05 61.31 1bkd n THR 810 Cb 0.13 0.20 0.16 0.00 -2.10 0.00 0.00 70.33 68.72 1bkd n THR 810 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1bkd s LYS 811 N -3.08 0.75 0.58 -0.78 -0.14 -1.19 -4.95 119.74 110.94 1bkd s LYS 811 Ca -0.05 0.05 0.28 0.00 -1.36 0.00 0.00 55.97 54.89 1bkd s LYS 811 Cb 0.10 -1.82 1.75 0.00 -1.68 0.00 0.00 37.83 36.19 1bkd s LYS 811 CO 0.67 -2.41 2.23 1.05 -0.76 0.00 0.00 175.35 176.13 1bkd h GLU 812 N -1.65 0.00 -1.02 1.68 4.11 -1.95 -2.39 114.58 113.35 1bkd h GLU 812 Ca -0.48 0.00 -0.54 0.00 0.07 0.00 0.00 59.36 58.42 1bkd h GLU 812 Cb 1.30 0.00 -0.28 0.00 0.50 0.00 0.00 28.75 30.27 1bkd h GLU 812 CO 0.52 0.00 0.69 -0.25 0.07 0.00 0.00 179.01 180.04 1bkd n ASP 813 N -3.92 4.97 -0.27 3.06 8.00 -1.26 -4.62 116.55 122.50 1bkd n ASP 813 Ca -0.03 -3.57 -0.07 0.00 0.71 0.00 0.00 54.79 51.83 1bkd n ASP 813 Cb 0.11 -0.87 0.06 0.00 -0.02 0.00 0.00 41.12 40.39 1bkd n ASP 813 CO 0.00 0.00 0.00 0.07 -0.39 0.00 0.00 177.20 176.88 1bkd h LYS 814 N 1.27 1.17 -0.27 -1.24 2.10 -1.59 -1.40 116.57 116.61 1bkd h LYS 814 Ca 0.59 -0.25 0.01 0.00 -2.00 0.00 0.00 60.65 59.00 1bkd h LYS 814 Cb 2.13 -0.17 -0.01 0.00 -0.90 0.00 0.00 32.23 33.28 1bkd h LYS 814 CO 1.19 0.99 0.18 0.93 -2.00 0.00 0.00 179.45 180.74 1bkd h GLU 815 N 1.12 0.32 0.00 0.07 4.39 -1.87 -0.26 114.58 118.35 1bkd h GLU 815 Ca 0.24 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.92 1bkd h GLU 815 Cb 0.31 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1bkd h GLU 815 CO -0.01 0.21 -0.01 0.82 -1.16 0.00 0.00 179.01 178.86 1bkd h ILE 816 N 0.33 1.62 0.00 3.13 2.04 -1.84 -3.34 117.51 119.44 1bkd h ILE 816 Ca 0.10 -2.22 -0.09 0.00 1.00 0.00 0.00 64.86 63.66 1bkd h ILE 816 Cb 0.01 3.06 -0.01 0.00 -0.74 0.00 0.00 36.82 39.14 1bkd h ILE 816 CO -0.02 0.55 -0.55 0.78 0.00 0.00 0.00 178.15 178.91 1bkd h ASN 817 N -1.00 0.00 -1.24 1.72 2.35 -1.16 -3.38 115.58 112.87 1bkd h ASN 817 Ca -0.00 0.00 -0.47 0.00 -0.55 0.00 0.00 56.30 55.27 1bkd h ASN 817 Cb 0.90 0.00 -0.41 0.00 0.05 0.00 0.00 38.32 38.86 1bkd h ASN 817 CO -0.00 0.40 -0.97 -1.20 -1.65 0.00 0.00 177.43 174.01 1bkd n SER 818 N -3.13 3.08 0.26 5.81 7.64 -0.12 -4.34 113.62 122.81 1bkd n SER 818 Ca 0.01 -3.20 0.08 0.00 1.01 0.00 0.00 58.87 56.77 1bkd n SER 818 Cb 0.70 -0.49 0.64 0.00 -1.01 0.00 0.00 64.21 64.05 1bkd n SER 818 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1bkd h PRO 819 N 2.78 0.00 0.20 1.43 0.13 -1.71 -2.56 132.00 132.27 1bkd h PRO 819 Ca 0.10 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.91 1bkd h PRO 819 Cb 1.06 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.23 1bkd h PRO 819 CO 0.67 0.04 -1.39 -0.91 -0.23 0.00 0.00 178.00 176.18 1bkd h ASN 820 N 0.00 0.85 0.18 1.44 2.35 -1.91 -2.86 115.58 115.63 1bkd h ASN 820 Ca -0.00 -0.86 -0.01 0.00 -0.55 0.00 0.00 56.30 54.88 1bkd h ASN 820 Cb 0.08 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.18 1bkd h ASN 820 CO 0.01 1.66 -0.09 0.25 -1.65 0.00 0.00 177.43 177.61 1bkd h LEU 821 N 0.20 -0.20 -1.40 1.61 6.46 -1.86 -1.88 115.31 118.22 1bkd h LEU 821 Ca -0.23 0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 57.50 1bkd h LEU 821 Cb 2.07 0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 42.04 1bkd h LEU 821 CO 0.26 -0.14 -0.01 -0.07 -0.62 0.00 0.00 178.44 177.86 1bkd h LEU 822 N -0.24 0.34 -1.03 2.25 3.38 -1.58 -0.58 115.31 117.84 1bkd h LEU 822 Ca -0.02 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 1bkd h LEU 822 Cb 0.19 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1bkd h LEU 822 CO 0.04 0.42 -0.36 0.50 0.09 0.00 0.00 178.44 179.13 1bkd h LYS 823 N 0.36 0.24 -0.00 1.13 3.64 -1.25 0.76 116.57 121.45 1bkd h LYS 823 Ca 0.08 -0.10 -0.06 0.00 -1.27 0.00 0.00 60.65 59.30 1bkd h LYS 823 Cb 0.27 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1bkd h LYS 823 CO 0.01 0.57 -0.24 1.98 -2.27 0.00 0.00 179.45 179.50 1bkd h MET 824 N 0.21 0.17 -0.78 1.90 4.05 -0.46 -2.96 114.93 117.05 1bkd h MET 824 Ca 0.02 -0.18 -0.05 0.00 -0.28 0.00 0.00 59.70 59.21 1bkd h MET 824 Cb 0.73 0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.55 1bkd h MET 824 CO 0.06 0.92 0.28 0.82 0.23 0.00 0.00 176.91 179.22 1bkd h ILE 825 N -0.51 1.26 0.00 1.77 2.04 -1.04 -2.22 117.51 118.82 1bkd h ILE 825 Ca -0.03 -0.86 -0.03 0.00 1.00 0.00 0.00 64.86 64.94 1bkd h ILE 825 Cb 1.00 0.36 -0.00 0.00 -0.74 0.00 0.00 36.82 37.44 1bkd h ILE 825 CO 0.05 0.35 -0.12 0.03 0.00 0.00 0.00 178.15 178.45 1bkd h ARG 826 N 1.14 0.00 -0.08 2.37 3.08 -0.91 -0.73 114.38 119.26 1bkd h ARG 826 Ca 0.26 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.23 1bkd h ARG 826 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 1bkd h ARG 826 CO -0.02 0.12 -0.25 1.25 -1.07 0.00 0.00 179.97 180.01 1bkd h HIS 827 N 0.00 0.40 -0.24 3.04 2.76 -1.24 -1.05 115.15 118.82 1bkd h HIS 827 Ca -0.00 -0.16 0.04 0.00 -2.20 0.00 0.00 60.37 58.04 1bkd h HIS 827 Cb 0.25 -0.07 -0.03 0.00 1.55 0.00 0.00 27.41 29.11 1bkd h HIS 827 CO 0.00 0.87 0.02 1.15 -1.30 0.00 0.00 177.93 178.67 1bkd h THR 828 N -0.18 0.86 -0.74 6.26 2.02 -0.91 -0.44 112.91 119.79 1bkd h THR 828 Ca -0.01 -0.04 0.01 0.00 0.77 0.00 0.00 66.41 67.14 1bkd h THR 828 Cb 0.88 0.74 -0.04 0.00 -1.74 0.00 0.00 68.15 67.99 1bkd h THR 828 CO 0.05 0.02 0.49 0.74 0.37 0.00 0.00 175.52 177.19 1bkd h THR 829 N 0.11 1.18 -0.92 3.16 2.02 -1.17 -0.88 112.91 116.41 1bkd h THR 829 Ca 0.11 -0.34 -0.00 0.00 0.77 0.00 0.00 66.41 66.95 1bkd h THR 829 Cb 0.13 0.11 -0.04 0.00 -1.74 0.00 0.00 68.15 66.60 1bkd h THR 829 CO -0.17 0.18 0.57 -1.13 0.37 0.00 0.00 175.52 175.34 1bkd h ASN 830 N 0.99 1.09 0.10 4.18 -1.24 -0.48 -1.67 115.58 118.55 1bkd h ASN 830 Ca 0.27 -0.05 -0.28 0.00 0.71 0.00 0.00 56.30 56.95 1bkd h ASN 830 Cb -0.10 -0.27 0.02 0.00 0.73 0.00 0.00 38.32 38.70 1bkd h ASN 830 CO -0.06 0.82 -1.12 -0.07 -1.29 0.00 0.00 177.43 175.71 1bkd h LEU 831 N 1.26 0.85 -0.56 0.34 4.07 -0.46 -1.42 115.31 119.39 1bkd h LEU 831 Ca 0.33 -0.73 0.06 0.00 0.08 0.00 0.00 57.88 57.63 1bkd h LEU 831 Cb -0.08 -0.26 -0.05 0.00 1.08 0.00 0.00 40.66 41.34 1bkd h LEU 831 CO -0.07 1.53 0.26 0.74 -1.08 0.00 0.00 178.44 179.82 1bkd h THR 832 N 0.33 0.89 -0.43 0.22 2.02 -0.97 -1.39 112.91 113.58 1bkd h THR 832 Ca -0.15 -0.17 -0.09 0.00 0.77 0.00 0.00 66.41 66.78 1bkd h THR 832 Cb 1.78 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 68.54 1bkd h THR 832 CO 0.21 0.09 -0.10 -0.07 0.37 0.00 0.00 175.52 176.03 1bkd h LEU 833 N 0.49 0.75 -1.04 2.58 3.38 -1.28 -2.50 115.31 117.68 1bkd h LEU 833 Ca 0.26 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 1bkd h LEU 833 Cb 0.22 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1bkd h LEU 833 CO -0.21 0.87 -0.20 -0.25 0.09 0.00 0.00 178.44 178.74 1bkd h TRP 834 N 0.69 0.50 -0.24 1.13 7.01 -0.46 -0.41 115.95 124.16 1bkd h TRP 834 Ca 0.12 -0.09 -0.04 0.00 2.11 0.00 0.00 58.89 60.99 1bkd h TRP 834 Cb 0.57 -0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 27.49 1bkd h TRP 834 CO 0.03 0.63 -0.00 0.74 -2.79 0.00 0.00 178.44 177.04 1bkd h PHE 835 N 0.41 0.46 -0.22 2.65 0.04 -1.02 -0.11 116.94 119.16 1bkd h PHE 835 Ca 0.07 -0.08 0.01 0.00 2.80 0.00 0.00 57.97 60.77 1bkd h PHE 835 Cb 0.58 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.60 1bkd h PHE 835 CO 0.02 0.60 0.12 0.93 -0.60 0.00 0.00 178.31 179.38 1bkd h GLU 836 N 0.19 0.24 -0.96 1.51 5.08 -1.13 -1.03 114.58 118.49 1bkd h GLU 836 Ca 0.07 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1bkd h GLU 836 Cb 0.42 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.57 1bkd h GLU 836 CO 0.01 0.16 0.60 -0.22 -1.00 0.00 0.00 179.01 178.56 1bkd h LYS 837 N 0.25 1.29 -0.35 2.33 3.64 -0.96 0.12 116.57 122.89 1bkd h LYS 837 Ca 0.09 -0.11 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 1bkd h LYS 837 Cb 0.01 -0.28 -0.01 0.00 -0.41 0.00 0.00 32.23 31.53 1bkd h LYS 837 CO -0.05 0.89 0.10 0.00 -2.27 0.00 0.00 179.45 178.12 1bkd h ILE 839 N 0.42 0.00 -0.33 0.00 2.04 -0.74 -3.06 117.51 115.84 1bkd h ILE 839 Ca 0.11 -0.12 0.08 0.00 1.00 0.00 0.00 64.86 65.94 1bkd h ILE 839 Cb 0.27 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.34 1bkd h ILE 839 CO -0.00 0.00 0.23 0.58 0.00 0.00 0.00 178.15 178.96 1bkd h VAL 840 N -0.64 0.86 -0.18 1.67 2.07 -0.84 -0.31 116.25 118.87 1bkd h VAL 840 Ca -0.05 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1bkd h VAL 840 Cb 0.40 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1bkd h VAL 840 CO 0.09 0.01 0.00 -0.62 0.02 0.00 0.00 177.57 177.07 1bkd n GLU 841 N -4.45 1.68 -3.35 1.57 1.02 -0.11 -4.46 120.64 112.53 1bkd n GLU 841 Ca 0.05 -1.03 -0.46 0.00 -0.02 0.00 0.00 57.16 55.70 1bkd n GLU 841 Cb 0.37 -1.36 -0.02 0.00 -0.02 0.00 0.00 31.44 30.41 1bkd n GLU 841 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1bkd s THR 842 N -1.77 5.62 0.36 2.62 2.01 -0.13 -4.91 115.64 119.44 1bkd s THR 842 Ca 0.30 -2.75 0.06 0.00 0.31 0.00 0.00 61.69 59.61 1bkd s THR 842 Cb 0.16 -4.45 0.17 0.00 0.01 0.00 0.00 72.50 68.39 1bkd s THR 842 CO 0.24 -1.06 1.91 -0.33 -0.69 0.00 0.00 174.62 174.68 1bkd h GLU 843 N 7.44 0.44 -6.28 4.92 5.08 -1.81 -3.39 114.58 120.97 1bkd h GLU 843 Ca 0.12 -0.09 -0.55 0.00 -1.00 0.00 0.00 59.36 57.84 1bkd h GLU 843 Cb 0.99 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.15 1bkd h GLU 843 CO 0.81 0.48 0.72 1.21 -1.00 0.00 0.00 179.01 181.23 1bkd s ASN 844 N -6.78 7.05 0.25 1.42 3.84 -1.26 -4.55 114.94 114.91 1bkd s ASN 844 Ca -0.07 1.77 -0.03 0.00 0.21 0.00 0.00 52.86 54.74 1bkd s ASN 844 Cb 0.16 -2.56 0.46 0.00 -0.55 0.00 0.00 41.25 38.77 1bkd s ASN 844 CO 0.75 -0.60 1.78 0.25 -2.79 0.00 0.00 177.10 176.49 1bkd h LEU 845 N 8.40 0.54 0.21 3.21 5.85 -1.87 0.12 115.31 131.78 1bkd h LEU 845 Ca -0.33 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.46 1bkd h LEU 845 Cb 1.15 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.17 1bkd h LEU 845 CO 0.89 0.27 -0.10 -0.08 -0.34 0.00 0.00 178.44 179.08 1bkd h GLU 846 N 0.66 -0.27 -0.82 1.25 4.81 -1.95 -1.24 114.58 117.00 1bkd h GLU 846 Ca 0.43 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.66 1bkd h GLU 846 Cb 0.53 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.94 1bkd h GLU 846 CO -0.32 -0.11 0.44 0.93 -0.73 0.00 0.00 179.01 179.22 1bkd h GLU 847 N -0.37 1.15 -0.66 1.92 5.08 -1.83 -2.07 114.58 117.79 1bkd h GLU 847 Ca -0.03 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.15 1bkd h GLU 847 Cb 0.29 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 1bkd h GLU 847 CO 0.05 0.85 0.24 -0.09 -1.00 0.00 0.00 179.01 179.06 1bkd h ARG 848 N 1.15 0.99 -0.51 2.33 2.43 -0.58 0.56 114.38 120.76 1bkd h ARG 848 Ca 0.29 -0.18 -0.07 0.00 -0.81 0.00 0.00 59.98 59.21 1bkd h ARG 848 Cb 0.04 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 1bkd h ARG 848 CO -0.04 0.82 0.04 0.28 -1.51 0.00 0.00 179.97 179.56 1bkd h VAL 849 N 0.96 1.24 -0.63 0.20 2.07 -0.72 0.34 116.25 119.71 1bkd h VAL 849 Ca 0.22 -0.96 -0.07 0.00 0.82 0.00 0.00 66.70 66.71 1bkd h VAL 849 Cb 0.22 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 1bkd h VAL 849 CO -0.01 0.35 0.12 0.00 0.02 0.00 0.00 177.57 178.04 1bkd h ALA 850 N 1.26 0.84 -0.25 1.67 0.00 -0.61 -1.14 119.26 121.03 1bkd h ALA 850 Ca 0.16 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1bkd h ALA 850 Cb 0.41 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1bkd h ALA 850 CO 0.01 0.58 -0.00 0.28 0.00 0.00 0.00 179.25 180.12 1bkd h VAL 851 N 0.95 1.26 0.00 0.00 2.07 -0.43 -2.39 116.25 117.70 1bkd h VAL 851 Ca 0.19 -0.91 -0.04 0.00 0.82 0.00 0.00 66.70 66.76 1bkd h VAL 851 Cb 0.40 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 1bkd h VAL 851 CO 0.01 0.29 -0.19 0.58 0.02 0.00 0.00 177.57 178.28 1bkd h VAL 852 N 0.22 0.84 -0.13 2.57 2.07 -0.78 -2.85 116.25 118.20 1bkd h VAL 852 Ca 0.07 -0.73 -0.09 0.00 0.82 0.00 0.00 66.70 66.77 1bkd h VAL 852 Cb 0.42 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 1bkd h VAL 852 CO 0.01 0.19 -0.29 -1.28 0.02 0.00 0.00 177.57 176.22 1bkd h SER 853 N 0.00 0.47 -0.67 0.57 0.87 -0.89 -2.59 113.55 111.32 1bkd h SER 853 Ca -0.00 -0.57 -0.01 0.00 -1.23 0.00 0.00 61.79 59.98 1bkd h SER 853 Cb 0.42 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.21 1bkd h SER 853 CO 0.02 0.96 0.37 0.03 -0.53 0.00 0.00 176.83 177.68 1bkd h ARG 854 N 0.01 0.93 -0.88 2.24 2.47 -1.27 -0.90 114.38 116.98 1bkd h ARG 854 Ca 0.00 -0.11 0.05 0.00 -1.26 0.00 0.00 59.98 58.67 1bkd h ARG 854 Cb 0.89 -0.18 -0.06 0.00 -1.65 0.00 0.00 29.97 28.97 1bkd h ARG 854 CO 0.06 0.70 0.55 0.82 0.56 0.00 0.00 179.97 182.66 1bkd h ILE 855 N 0.91 1.07 -0.27 2.04 2.04 -1.52 0.56 117.51 122.36 1bkd h ILE 855 Ca 0.23 -0.35 -0.10 0.00 1.00 0.00 0.00 64.86 65.65 1bkd h ILE 855 Cb 0.04 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.06 1bkd h ILE 855 CO -0.04 0.19 -0.24 0.40 0.00 0.00 0.00 178.15 178.46 1bkd h ILE 856 N 1.03 1.26 -0.28 -0.67 2.04 -0.97 -0.59 117.51 119.32 1bkd h ILE 856 Ca 0.37 -1.26 -0.03 0.00 1.00 0.00 0.00 64.86 64.95 1bkd h ILE 856 Cb 0.13 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 1bkd h ILE 856 CO -0.16 0.40 0.06 -0.33 0.00 0.00 0.00 178.15 178.12 1bkd h GLU 857 N 0.45 0.46 -0.45 2.37 5.08 0.31 -1.14 114.58 121.66 1bkd h GLU 857 Ca 0.07 -0.12 0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1bkd h GLU 857 Cb 0.66 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 1bkd h GLU 857 CO 0.05 0.56 0.30 0.82 -1.00 0.00 0.00 179.01 179.74 1bkd h ILE 858 N 0.29 1.05 -0.62 3.13 2.04 0.47 0.33 117.51 124.21 1bkd h ILE 858 Ca 0.09 -0.18 -0.09 0.00 1.00 0.00 0.00 64.86 65.68 1bkd h ILE 858 Cb 0.32 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 1bkd h ILE 858 CO 0.00 0.09 0.03 0.25 0.00 0.00 0.00 178.15 178.52 1bkd h LEU 859 N 0.52 1.05 -0.44 1.44 5.85 -0.31 -1.45 115.31 121.96 1bkd h LEU 859 Ca 0.18 -0.29 -0.00 0.00 0.84 0.00 0.00 57.88 58.61 1bkd h LEU 859 Cb 0.08 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 1bkd h LEU 859 CO -0.04 1.08 0.27 -0.61 -0.34 0.00 0.00 178.44 178.79 1bkd h GLN 860 N 0.99 0.60 -0.07 1.25 -0.00 0.25 -1.05 115.11 117.08 1bkd h GLN 860 Ca 0.18 -0.06 -0.09 0.00 -0.00 0.00 0.00 58.65 58.68 1bkd h GLN 860 Cb 0.53 -0.13 -0.01 0.00 0.00 0.00 0.00 27.48 27.87 1bkd h GLN 860 CO 0.03 0.44 -0.37 0.28 0.00 0.00 0.00 178.83 179.21 1bkd h VAL 861 N 0.59 1.28 -0.41 2.39 2.07 -1.18 -1.49 116.25 119.49 1bkd h VAL 861 Ca 0.16 -1.37 -0.00 0.00 0.82 0.00 0.00 66.70 66.31 1bkd h VAL 861 Cb -0.00 1.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 1bkd h VAL 861 CO -0.03 0.40 0.24 -0.26 0.02 0.00 0.00 177.57 177.95 1bkd h PHE 862 N 0.12 0.55 -0.93 1.57 0.04 -0.62 0.15 116.94 117.83 1bkd h PHE 862 Ca 0.01 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.78 1bkd h PHE 862 Cb 0.72 -0.18 -0.05 0.00 2.20 0.00 0.00 35.95 38.64 1bkd h PHE 862 CO 0.01 0.40 0.58 1.96 -0.60 0.00 0.00 178.31 180.66 1bkd h GLN 863 N 0.54 1.24 -0.22 1.51 1.08 -0.59 0.64 115.11 119.32 1bkd h GLN 863 Ca 0.15 -0.10 -0.03 0.00 -1.45 0.00 0.00 58.65 57.22 1bkd h GLN 863 Cb 0.01 -0.27 -0.01 0.00 -0.05 0.00 0.00 27.48 27.17 1bkd h GLN 863 CO -0.03 0.85 0.02 0.93 -0.95 0.00 0.00 178.83 179.65 1bkd h GLU 864 N 1.27 0.38 0.00 1.46 5.08 -0.58 -2.53 114.58 119.66 1bkd h GLU 864 Ca 0.34 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1bkd h GLU 864 Cb -0.09 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.12 1bkd h GLU 864 CO -0.07 0.54 0.00 1.28 -1.00 0.00 0.00 179.01 179.76 1bkd n LEU 865 N -4.70 0.00 -2.95 1.33 4.77 0.46 -4.88 117.00 111.04 1bkd n LEU 865 Ca -0.04 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.72 1bkd n LEU 865 Cb 0.21 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.33 1bkd n LEU 865 CO 0.37 0.00 -0.05 0.59 -1.33 0.00 0.00 177.39 176.97 1bkd n ASN 866 N -0.94 -5.86 -4.39 -1.43 5.03 -0.19 -4.66 115.26 102.82 1bkd n ASN 866 Ca 0.17 -0.24 -0.45 0.00 0.87 0.00 0.00 54.58 54.92 1bkd n ASN 866 Cb 0.08 -4.77 -0.02 0.00 -1.02 0.00 0.00 39.78 34.05 1bkd n ASN 866 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.26 175.64 1bkd s ASN 867 N -2.59 6.82 0.33 6.41 3.84 0.04 -2.01 114.94 127.78 1bkd s ASN 867 Ca 0.26 -2.61 0.09 0.00 0.21 0.00 0.00 52.86 50.81 1bkd s ASN 867 Cb -0.12 -2.30 0.59 0.00 -0.55 0.00 0.00 41.25 38.87 1bkd s ASN 867 CO 0.32 -0.73 1.77 -0.26 -2.79 0.00 0.00 177.10 175.41 1bkd h PHE 868 N 7.95 0.16 -0.34 0.43 0.04 -1.36 -1.45 116.94 122.36 1bkd h PHE 868 Ca 0.16 -0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.88 1bkd h PHE 868 Cb 1.00 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 39.09 1bkd h PHE 868 CO 1.06 0.50 0.17 -0.97 -0.60 0.00 0.00 178.31 178.46 1bkd h ASN 869 N 0.12 0.44 0.55 2.17 -1.24 -1.63 -1.25 115.58 114.75 1bkd h ASN 869 Ca 0.01 -0.12 -0.04 0.00 0.71 0.00 0.00 56.30 56.87 1bkd h ASN 869 Cb 0.71 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.64 1bkd h ASN 869 CO 0.05 0.43 -0.19 1.23 -1.29 0.00 0.00 177.43 177.67 1bkd h GLY 870 N 0.42 0.00 0.40 1.57 0.00 -1.78 -1.67 103.07 102.01 1bkd h GLY 870 Ca 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.44 1bkd h GLY 870 CO -0.02 0.00 -0.10 -2.08 0.00 0.00 0.00 176.54 174.34 1bkd h VAL 871 N 0.00 0.69 0.00 4.60 2.07 -0.32 -3.06 116.25 120.23 1bkd h VAL 871 Ca -0.00 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.54 1bkd h VAL 871 Cb 0.52 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1bkd h VAL 871 CO 0.02 0.17 0.00 -0.07 0.02 0.00 0.00 177.57 177.72 1bkd h LEU 872 N -0.89 0.00 -0.09 2.57 3.38 -1.23 -0.36 115.31 118.69 1bkd h LEU 872 Ca -0.03 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1bkd h LEU 872 Cb 0.50 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 1bkd h LEU 872 CO 0.05 0.00 -0.03 -0.08 0.09 0.00 0.00 178.44 178.47 1bkd h GLU 873 N 0.00 0.18 -0.03 1.13 4.81 -1.26 -1.16 114.58 118.24 1bkd h GLU 873 Ca 0.00 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 59.08 1bkd h GLU 873 Cb 0.17 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.55 1bkd h GLU 873 CO 0.00 0.51 -0.28 0.28 -0.73 0.00 0.00 179.01 178.79 1bkd h VAL 874 N -0.16 1.48 -0.80 0.32 2.07 -1.25 -2.96 116.25 114.96 1bkd h VAL 874 Ca 0.02 -1.81 0.13 0.00 0.82 0.00 0.00 66.70 65.86 1bkd h VAL 874 Cb 0.45 2.54 -0.09 0.00 -1.52 0.00 0.00 31.29 32.67 1bkd h VAL 874 CO 0.01 0.51 0.39 0.58 0.02 0.00 0.00 177.57 179.08 1bkd h VAL 875 N -0.33 0.74 -0.66 2.57 2.07 -1.14 0.15 116.25 119.65 1bkd h VAL 875 Ca -0.03 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.25 1bkd h VAL 875 Cb 0.98 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 1bkd h VAL 875 CO 0.06 0.11 0.25 0.28 0.02 0.00 0.00 177.57 178.29 1bkd h SER 876 N 0.58 0.92 -0.53 0.57 0.02 -1.25 -0.09 113.55 113.77 1bkd h SER 876 Ca 0.42 -0.18 -0.05 0.00 -0.84 0.00 0.00 61.79 61.14 1bkd h SER 876 Cb 0.57 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.85 1bkd h SER 876 CO -0.35 0.84 0.12 0.00 -1.14 0.00 0.00 176.83 176.31 1bkd h ALA 877 N 1.11 0.70 -0.82 3.77 0.00 -0.99 -1.67 119.26 121.35 1bkd h ALA 877 Ca 0.22 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1bkd h ALA 877 Cb 0.22 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1bkd h ALA 877 CO -0.02 0.41 0.44 0.52 0.00 0.00 0.00 179.25 180.60 1bkd h MET 878 N 0.75 1.15 -0.20 0.00 2.86 -0.22 -2.30 114.93 116.97 1bkd h MET 878 Ca 0.17 -0.14 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1bkd h MET 878 Cb 0.35 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 31.79 1bkd h MET 878 CO 0.00 0.85 0.00 0.09 1.06 0.00 0.00 176.91 178.92 1bkd n ASN 879 N -4.33 1.56 -4.78 1.22 5.03 -0.09 -3.06 115.26 110.81 1bkd n ASN 879 Ca 0.08 -1.78 -0.31 0.00 0.87 0.00 0.00 54.58 53.44 1bkd n ASN 879 Cb 0.11 -0.13 0.07 0.00 -1.02 0.00 0.00 39.78 38.81 1bkd n ASN 879 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 1bkd s SER 880 N -1.39 4.81 0.17 6.41 1.04 -0.65 -4.73 113.70 119.36 1bkd s SER 880 Ca 0.29 1.82 -0.14 0.00 0.48 0.00 0.00 55.95 58.40 1bkd s SER 880 Cb 0.15 -2.52 0.12 0.00 0.10 0.00 0.00 66.02 63.87 1bkd s SER 880 CO 0.22 -1.83 1.74 0.28 0.98 0.00 0.00 173.24 174.64 1bkd h SER 881 N -0.77 0.13 -0.09 7.02 0.02 -1.91 0.33 113.55 118.28 1bkd h SER 881 Ca -0.44 0.06 -0.06 0.00 -0.84 0.00 0.00 61.79 60.50 1bkd h SER 881 Cb 1.23 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.80 1bkd h SER 881 CO 0.53 0.10 -0.11 -0.65 -1.14 0.00 0.00 176.83 175.57 1bkd h PRO 882 N 0.30 0.40 0.07 3.45 0.11 -1.92 -3.29 132.00 131.11 1bkd h PRO 882 Ca 0.20 -0.10 -0.34 0.00 0.11 0.00 0.00 66.00 65.88 1bkd h PRO 882 Cb 0.21 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.24 1bkd h PRO 882 CO -0.22 0.51 -1.91 0.28 -0.21 0.00 0.00 178.00 176.44 1bkd n VAL 883 N -4.24 1.69 -0.27 3.15 0.31 -1.09 -4.41 118.33 113.47 1bkd n VAL 883 Ca 0.00 -0.72 0.04 0.00 -0.01 0.00 0.00 64.34 63.66 1bkd n VAL 883 Cb 0.29 -1.41 0.18 0.00 -0.91 0.00 0.00 33.84 32.00 1bkd n VAL 883 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 1bkd h TYR 884 N 0.04 0.69 -0.10 3.52 3.20 -0.85 -2.57 116.97 120.89 1bkd h TYR 884 Ca -0.38 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.52 1bkd h TYR 884 Cb 2.03 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 40.11 1bkd h TYR 884 CO 0.04 0.19 0.00 2.89 -1.64 0.00 0.00 178.16 179.65 1bkd n ARG 885 N -4.88 1.33 -1.23 1.82 1.85 -1.25 -4.59 116.66 109.70 1bkd n ARG 885 Ca 0.14 -0.50 -0.36 0.00 -1.00 0.00 0.00 57.85 56.13 1bkd n ARG 885 Cb 0.36 -1.25 -0.03 0.00 -1.05 0.00 0.00 32.46 30.49 1bkd n ARG 885 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1bkd n LEU 886 N -0.21 8.25 -0.35 2.89 4.77 -0.97 -4.73 117.00 126.66 1bkd n LEU 886 Ca 0.11 -4.17 0.25 0.00 -0.03 0.00 0.00 56.01 52.17 1bkd n LEU 886 Cb 0.16 -1.50 0.49 0.00 -2.33 0.00 0.00 43.42 40.24 1bkd n LEU 886 CO 0.08 1.90 1.16 0.44 -1.33 0.00 0.00 177.39 179.64 1bkd h ASP 887 N 5.12 0.49 0.33 -1.43 3.32 -1.88 0.30 116.42 122.67 1bkd h ASP 887 Ca 0.82 0.15 -0.06 0.00 0.02 0.00 0.00 57.03 57.97 1bkd h ASP 887 Cb 0.29 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 1bkd h ASP 887 CO 1.72 -0.06 -0.27 0.45 -1.72 0.00 0.00 179.24 179.36 1bkd h HIS 888 N 0.34 0.00 0.05 4.55 3.86 -2.00 -2.13 115.15 119.83 1bkd h HIS 888 Ca 0.71 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.91 1bkd h HIS 888 Cb 1.71 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.18 1bkd h HIS 888 CO -0.01 0.27 -0.03 1.15 0.86 0.00 0.00 177.93 180.18 1bkd h THR 889 N 0.00 1.02 0.00 2.45 2.02 -0.78 -3.32 112.91 114.29 1bkd h THR 889 Ca -0.00 -1.57 -0.01 0.00 0.77 0.00 0.00 66.41 65.60 1bkd h THR 889 Cb 0.51 1.85 -0.00 0.00 -1.74 0.00 0.00 68.15 68.76 1bkd h THR 889 CO 0.04 0.32 -0.04 -0.26 0.37 0.00 0.00 175.52 175.94 1bkd h PHE 890 N -0.94 0.00 -0.39 3.16 0.04 -1.51 -2.56 116.94 114.75 1bkd h PHE 890 Ca -0.01 0.00 0.04 0.00 2.80 0.00 0.00 57.97 60.80 1bkd h PHE 890 Cb 0.58 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.69 1bkd h PHE 890 CO 0.14 0.04 0.16 1.49 -0.60 0.00 0.00 178.31 179.54 1bkd h GLU 891 N 0.00 0.33 -0.57 1.51 4.57 -1.48 -2.34 114.58 116.60 1bkd h GLU 891 Ca -0.00 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1bkd h GLU 891 Cb 0.18 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.70 1bkd h GLU 891 CO 0.01 0.22 0.00 1.04 -1.18 0.00 0.00 179.01 179.09 1bkd n GLN 892 N -4.97 2.09 -3.34 1.92 6.02 -0.96 -4.84 117.38 113.29 1bkd n GLN 892 Ca 0.02 -1.12 -0.38 0.00 -0.01 0.00 0.00 57.00 55.51 1bkd n GLN 892 Cb 0.12 -1.52 -0.07 0.00 1.02 0.00 0.00 30.24 29.80 1bkd n GLN 892 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1bkd s ILE 893 N -1.65 5.18 0.61 5.09 1.01 -0.88 -5.04 121.20 125.52 1bkd s ILE 893 Ca 0.20 0.85 -0.18 0.00 0.00 0.00 0.00 60.65 61.52 1bkd s ILE 893 Cb 0.13 -3.78 -0.09 0.00 0.01 0.00 0.00 42.46 38.73 1bkd s ILE 893 CO 0.09 0.28 0.39 -0.81 0.00 0.00 0.00 174.94 174.89 1bkd n PRO 894 N 4.12 0.37 0.06 2.79 -0.04 -1.26 -4.77 135.00 136.26 1bkd n PRO 894 Ca -0.07 0.15 -0.12 0.00 -0.04 0.00 0.00 63.50 63.42 1bkd n PRO 894 Cb 0.51 -1.60 -0.06 0.00 -0.04 0.00 0.00 33.50 32.30 1bkd n PRO 894 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1bkd h SER 895 N 0.02 -0.15 -0.89 3.54 0.02 -1.96 -2.46 113.55 111.66 1bkd h SER 895 Ca -0.45 0.02 0.11 0.00 -0.84 0.00 0.00 61.79 60.63 1bkd h SER 895 Cb 1.39 0.06 -0.08 0.00 0.14 0.00 0.00 62.40 63.91 1bkd h SER 895 CO 0.44 -0.09 0.52 0.08 -1.14 0.00 0.00 176.83 176.65 1bkd h ARG 896 N -0.11 0.82 -0.28 3.45 0.11 -2.00 -1.22 114.38 115.14 1bkd h ARG 896 Ca 0.01 -0.05 -0.11 0.00 0.10 0.00 0.00 59.98 59.93 1bkd h ARG 896 Cb 0.12 -0.18 -0.01 0.00 1.11 0.00 0.00 29.97 31.01 1bkd h ARG 896 CO -0.04 0.54 -0.29 1.96 0.10 0.00 0.00 179.97 182.25 1bkd h GLN 897 N 0.84 0.58 -0.35 0.08 4.20 -1.90 -2.05 115.11 116.51 1bkd h GLN 897 Ca 0.44 -0.24 -0.05 0.00 0.06 0.00 0.00 58.65 58.86 1bkd h GLN 897 Cb 0.45 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.19 1bkd h GLN 897 CO -0.27 0.80 0.01 0.87 -0.67 0.00 0.00 178.83 179.58 1bkd h LYS 898 N 0.50 0.54 -0.05 1.46 1.57 -0.77 -1.86 116.57 117.96 1bkd h LYS 898 Ca 0.06 -0.11 -0.18 0.00 -1.87 0.00 0.00 60.65 58.56 1bkd h LYS 898 Cb 0.75 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 1bkd h LYS 898 CO 0.06 0.56 -0.73 0.87 -0.57 0.00 0.00 179.45 179.63 1bkd h LYS 899 N 0.52 0.29 -0.52 3.15 1.57 -0.98 -0.21 116.57 120.38 1bkd h LYS 899 Ca 0.11 -0.24 -0.05 0.00 -1.87 0.00 0.00 60.65 58.60 1bkd h LYS 899 Cb 0.32 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 1bkd h LYS 899 CO 0.01 0.90 0.11 0.82 -0.57 0.00 0.00 179.45 180.72 1bkd h ILE 900 N 0.19 1.25 -0.22 1.86 2.04 -0.97 0.17 117.51 121.82 1bkd h ILE 900 Ca -0.03 -0.89 -0.09 0.00 1.00 0.00 0.00 64.86 64.85 1bkd h ILE 900 Cb 1.30 0.82 -0.00 0.00 -0.74 0.00 0.00 36.82 38.20 1bkd h ILE 900 CO 0.12 0.32 -0.20 0.25 0.00 0.00 0.00 178.15 178.64 1bkd h LEU 901 N 0.73 0.57 -0.57 1.44 5.85 -1.28 -1.69 115.31 120.36 1bkd h LEU 901 Ca 0.16 -0.47 -0.03 0.00 0.84 0.00 0.00 57.88 58.38 1bkd h LEU 901 Cb 0.36 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 1bkd h LEU 901 CO 0.00 0.91 0.23 -0.08 -0.34 0.00 0.00 178.44 179.17 1bkd h GLU 902 N 0.23 0.85 -0.63 1.25 4.81 -0.91 0.17 114.58 120.34 1bkd h GLU 902 Ca 0.04 -0.15 0.01 0.00 -0.13 0.00 0.00 59.36 59.13 1bkd h GLU 902 Cb 0.75 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.96 1bkd h GLU 902 CO 0.05 0.73 0.42 1.49 -0.73 0.00 0.00 179.01 180.98 1bkd h GLU 903 N 0.78 0.81 -0.14 1.92 4.81 -0.61 -1.23 114.58 120.93 1bkd h GLU 903 Ca 0.19 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.30 1bkd h GLU 903 Cb 0.20 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.40 1bkd h GLU 903 CO -0.02 0.53 -0.21 0.00 -0.73 0.00 0.00 179.01 178.59 1bkd h ALA 904 N 1.61 0.21 -0.34 2.92 0.00 -0.43 -3.16 119.26 120.07 1bkd h ALA 904 Ca 0.24 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1bkd h ALA 904 Cb -0.05 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1bkd h ALA 904 CO -0.06 0.15 0.19 1.25 0.00 0.00 0.00 179.25 180.78 1bkd h HIS 905 N -0.01 0.45 0.00 0.00 -0.00 -0.13 -1.94 115.15 113.52 1bkd h HIS 905 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.38 1bkd h HIS 905 Cb 0.77 -0.15 0.00 0.00 -0.00 0.00 0.00 27.41 28.03 1bkd h HIS 905 CO 0.09 0.32 0.00 0.39 -0.00 0.00 0.00 177.93 178.73 1bkd n GLU 906 N -4.45 0.10 0.06 5.26 1.02 -0.51 -2.26 120.64 119.86 1bkd n GLU 906 Ca 0.02 0.41 -0.02 0.00 -0.02 0.00 0.00 57.16 57.55 1bkd n GLU 906 Cb 0.10 -1.72 0.24 0.00 -0.02 0.00 0.00 31.44 30.03 1bkd n GLU 906 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1bkd h LEU 907 N 0.00 0.36 -0.24 -4.62 3.38 -1.43 -3.09 115.31 109.67 1bkd h LEU 907 Ca 0.00 -0.13 -0.21 0.00 0.09 0.00 0.00 57.88 57.63 1bkd h LEU 907 Cb 0.22 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 1bkd h LEU 907 CO 0.00 0.65 -0.89 0.28 0.09 0.00 0.00 178.44 178.57 1bkd h SER 908 N 0.32 0.46 -2.98 -0.43 0.02 -1.63 -3.03 113.55 106.26 1bkd h SER 908 Ca 0.04 -0.35 -0.56 0.00 -0.84 0.00 0.00 61.79 60.08 1bkd h SER 908 Cb 0.68 -0.14 0.19 0.00 0.14 0.00 0.00 62.40 63.27 1bkd h SER 908 CO 0.05 1.14 -0.59 -0.62 -1.14 0.00 0.00 176.83 175.67 1bkd n GLU 909 N -3.74 0.24 -3.24 3.45 1.02 -1.17 0.03 120.64 117.23 1bkd n GLU 909 Ca -0.05 0.11 -0.23 0.00 -0.02 0.00 0.00 57.16 56.97 1bkd n GLU 909 Cb 0.80 -1.67 0.01 0.00 -0.02 0.00 0.00 31.44 30.56 1bkd n GLU 909 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1bkd n ASP 910 N 0.30 -4.66 -2.42 1.62 8.00 -1.26 -2.06 116.55 116.07 1bkd n ASP 910 Ca 0.09 -0.35 -0.11 0.00 0.71 0.00 0.00 54.79 55.13 1bkd n ASP 910 Cb 0.50 -3.81 0.05 0.00 -0.02 0.00 0.00 41.12 37.85 1bkd n ASP 910 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1bkd n HIS 911 N -4.17 -1.38 -1.66 1.24 8.25 -1.18 -3.46 115.22 112.87 1bkd n HIS 911 Ca -0.05 0.57 -0.19 0.00 -0.26 0.00 0.00 57.72 57.78 1bkd n HIS 911 Cb 0.57 -3.75 -0.07 0.00 1.12 0.00 0.00 29.99 27.86 1bkd n HIS 911 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1bkd n TYR 912 N -3.07 -0.13 -0.27 4.41 4.01 0.10 -4.90 117.16 117.33 1bkd n TYR 912 Ca -0.14 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.68 1bkd n TYR 912 Cb 0.59 -3.27 0.21 0.00 -0.31 0.00 0.00 39.34 36.56 1bkd n TYR 912 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1bkd h LYS 913 N 0.00 0.34 -0.09 -0.72 3.64 -1.55 0.95 116.57 119.14 1bkd h LYS 913 Ca -0.40 -0.02 -0.20 0.00 -1.27 0.00 0.00 60.65 58.77 1bkd h LYS 913 Cb 1.25 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1bkd h LYS 913 CO 0.56 0.22 -0.77 0.87 -2.27 0.00 0.00 179.45 178.07 1bkd h LYS 914 N 0.35 0.49 -0.28 1.90 1.57 -1.78 -2.67 116.57 116.15 1bkd h LYS 914 Ca 0.45 -0.42 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1bkd h LYS 914 Cb 0.77 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.16 1bkd h LYS 914 CO -0.49 1.05 0.06 -0.92 -0.57 0.00 0.00 179.45 178.58 1bkd h TYR 915 N 0.33 0.47 -0.58 -1.35 3.20 -1.08 0.26 116.97 118.22 1bkd h TYR 915 Ca -0.04 -0.06 -0.00 0.00 3.14 0.00 0.00 58.73 61.77 1bkd h TYR 915 Cb 1.36 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 39.47 1bkd h TYR 915 CO 0.06 0.53 0.35 -0.07 -1.64 0.00 0.00 178.16 177.38 1bkd h LEU 916 N 0.28 0.69 -0.20 2.82 3.38 -0.91 -1.24 115.31 120.13 1bkd h LEU 916 Ca 0.09 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 1bkd h LEU 916 Cb 0.30 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 1bkd h LEU 916 CO 0.00 0.54 -0.20 0.00 0.09 0.00 0.00 178.44 178.87 1bkd h ALA 917 N 1.58 0.29 -0.35 1.53 0.00 -1.11 -3.05 119.26 118.14 1bkd h ALA 917 Ca 0.21 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 1bkd h ALA 917 Cb -0.03 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1bkd h ALA 917 CO -0.04 0.23 -0.13 -0.22 0.00 0.00 0.00 179.25 179.08 1bkd h LYS 918 N 0.16 0.62 -0.19 0.00 3.64 -0.61 -2.25 116.57 117.94 1bkd h LYS 918 Ca 0.03 -0.20 0.01 0.00 -1.27 0.00 0.00 60.65 59.22 1bkd h LYS 918 Cb 0.74 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.49 1bkd h LYS 918 CO 0.05 0.74 0.09 1.25 -2.27 0.00 0.00 179.45 179.31 1bkd h LEU 919 N 0.57 0.14 -0.60 5.20 6.46 -1.24 -2.44 115.31 123.40 1bkd h LEU 919 Ca 0.10 0.01 0.01 0.00 -0.12 0.00 0.00 57.88 57.87 1bkd h LEU 919 Cb 0.56 -0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.45 1bkd h LEU 919 CO 0.04 0.11 0.40 0.03 -0.62 0.00 0.00 178.44 178.39 1bkd h ARG 920 N 0.20 0.78 0.00 1.25 3.08 -1.40 -2.98 114.38 115.31 1bkd h ARG 920 Ca 0.08 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1bkd h ARG 920 Cb 0.02 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 29.90 1bkd h ARG 920 CO -0.06 0.52 0.00 -1.13 -1.07 0.00 0.00 179.97 178.23 1bkd n SER 921 N -4.67 0.54 -4.98 7.04 3.41 -0.87 -4.84 113.62 109.24 1bkd n SER 921 Ca 0.04 0.64 -0.20 0.00 -0.26 0.00 0.00 58.87 59.09 1bkd n SER 921 Cb 0.02 -0.75 -0.00 0.00 -0.26 0.00 0.00 64.21 63.22 1bkd n SER 921 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1bkd s ILE 922 N -3.26 4.25 -0.21 -1.33 -5.25 -0.96 -5.08 121.20 109.36 1bkd s ILE 922 Ca 0.05 -0.89 -0.04 0.00 -0.99 0.00 0.00 60.65 58.77 1bkd s ILE 922 Cb 0.09 -3.49 -0.02 0.00 2.95 0.00 0.00 42.46 41.99 1bkd s ILE 922 CO 0.36 -0.22 -0.03 0.20 -1.79 0.00 0.00 174.94 173.46 1bkd s ASN 923 N -4.15 4.53 1.11 4.36 -0.87 -1.26 -5.02 114.94 113.63 1bkd s ASN 923 Ca 0.44 -0.30 -0.19 0.00 -1.57 0.00 0.00 52.86 51.24 1bkd s ASN 923 Cb -0.10 -1.77 0.09 0.00 -0.02 0.00 0.00 41.25 39.45 1bkd s ASN 923 CO 0.32 0.03 -0.09 -0.81 -2.57 0.00 0.00 177.10 173.98 1bkd n PRO 924 N 4.49 -1.48 -0.97 -0.60 -0.04 -1.26 -4.86 135.00 130.30 1bkd n PRO 924 Ca -0.18 -0.41 -0.30 0.00 -0.04 0.00 0.00 63.50 62.57 1bkd n PRO 924 Cb 0.51 -1.66 0.15 0.00 -0.04 0.00 0.00 33.50 32.47 1bkd n PRO 924 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1bkd s PRO 925 N -3.36 1.13 -0.08 0.54 0.04 -1.26 -5.07 135.00 126.94 1bkd s PRO 925 Ca 0.55 1.14 -0.31 0.00 0.04 0.00 0.00 61.00 62.41 1bkd s PRO 925 Cb -0.11 -1.77 0.12 0.00 0.04 0.00 0.00 34.50 32.78 1bkd s PRO 925 CO 0.66 -2.42 1.02 0.00 0.04 0.00 0.00 177.00 176.30 1bkd s VAL 927 N -2.83 2.57 0.80 0.00 1.01 -0.85 -4.95 120.40 116.15 1bkd s VAL 927 Ca 0.07 -2.41 -0.11 0.00 0.00 0.00 0.00 61.98 59.53 1bkd s VAL 927 Cb -0.01 -2.84 0.07 0.00 0.00 0.00 0.00 36.38 33.60 1bkd s VAL 927 CO -0.07 -0.65 1.09 -2.16 0.00 0.00 0.00 175.10 173.31 1bkd s PRO 928 N 0.80 2.04 -0.17 2.72 0.04 -1.26 -1.04 135.00 138.12 1bkd s PRO 928 Ca 0.11 1.03 -0.29 0.00 0.04 0.00 0.00 61.00 61.89 1bkd s PRO 928 Cb -0.21 -1.88 -0.00 0.00 0.04 0.00 0.00 34.50 32.45 1bkd s PRO 928 CO -0.06 -1.76 1.01 0.12 0.04 0.00 0.00 177.00 176.35 1bkd s PHE 929 N -2.94 3.42 0.15 0.56 5.36 -1.26 -4.27 117.98 119.00 1bkd s PHE 929 Ca 0.61 1.51 -0.04 0.00 -0.96 0.00 0.00 56.93 58.05 1bkd s PHE 929 Cb -0.17 -3.22 -0.01 0.00 -0.34 0.00 0.00 43.02 39.28 1bkd s PHE 929 CO 0.56 -0.35 1.39 0.35 -1.46 0.00 0.00 175.22 175.71 1bkd h PHE 930 N 7.29 0.69 -0.94 10.12 3.04 -1.97 -3.36 116.94 131.80 1bkd h PHE 930 Ca -0.25 -0.31 0.25 0.00 3.98 0.00 0.00 57.97 61.64 1bkd h PHE 930 Cb 1.10 -0.10 -0.17 0.00 2.56 0.00 0.00 35.95 39.34 1bkd h PHE 930 CO 0.73 1.09 0.01 0.78 -2.02 0.00 0.00 178.31 178.91 1bkd h GLY 931 N 1.09 1.15 0.73 2.40 0.00 -2.00 0.14 103.07 106.58 1bkd h GLY 931 Ca -0.04 0.15 0.06 0.00 0.00 0.00 0.00 47.33 47.50 1bkd h GLY 931 CO 0.14 -0.46 0.56 -2.22 0.00 0.00 0.00 176.54 174.56 1bkd h ILE 932 N 0.04 1.05 -0.67 2.60 2.04 -2.01 -1.01 117.51 119.56 1bkd h ILE 932 Ca 0.56 -0.35 -0.04 0.00 1.00 0.00 0.00 64.86 66.03 1bkd h ILE 932 Cb 1.10 -0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 1bkd h ILE 932 CO -0.87 0.19 0.27 1.88 0.00 0.00 0.00 178.15 179.61 1bkd h TYR 933 N 1.02 1.01 0.08 1.37 0.05 -1.21 -1.39 116.97 117.91 1bkd h TYR 933 Ca 0.39 -0.07 0.00 0.00 0.05 0.00 0.00 58.73 59.09 1bkd h TYR 933 Cb 0.17 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 37.60 1bkd h TYR 933 CO -0.03 0.79 -0.08 -0.07 -1.05 0.00 0.00 178.16 177.73 1bkd h LEU 934 N 0.94 -0.20 -1.14 3.88 3.38 -0.91 -0.30 115.31 120.95 1bkd h LEU 934 Ca 0.22 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 1bkd h LEU 934 Cb 0.20 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 1bkd h LEU 934 CO -0.02 -0.12 0.47 0.74 0.09 0.00 0.00 178.44 179.60 1bkd h THR 935 N -0.18 1.22 -0.27 0.22 2.02 -1.07 -1.12 112.91 113.72 1bkd h THR 935 Ca 0.00 -0.48 -0.15 0.00 0.77 0.00 0.00 66.41 66.56 1bkd h THR 935 Cb 0.17 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.69 1bkd h THR 935 CO -0.02 0.23 -0.45 0.78 0.37 0.00 0.00 175.52 176.43 1bkd h ASN 936 N 1.07 0.74 -0.00 4.18 -0.26 -0.91 -1.64 115.58 118.75 1bkd h ASN 936 Ca 0.28 -0.35 -0.00 0.00 -0.56 0.00 0.00 56.30 55.67 1bkd h ASN 936 Cb -0.04 -0.21 -0.00 0.00 -1.06 0.00 0.00 38.32 37.01 1bkd h ASN 936 CO -0.05 1.08 -0.00 0.40 -1.06 0.00 0.00 177.43 177.79 1bkd h ILE 937 N 0.55 1.38 -0.31 2.81 2.04 -0.65 -1.31 117.51 122.02 1bkd h ILE 937 Ca 0.04 -1.13 0.05 0.00 1.00 0.00 0.00 64.86 64.82 1bkd h ILE 937 Cb 0.99 2.15 -0.05 0.00 -0.74 0.00 0.00 36.82 39.17 1bkd h ILE 937 CO 0.09 0.29 0.03 0.25 0.00 0.00 0.00 178.15 178.82 1bkd h LEU 938 N -0.48 -0.06 -0.88 1.44 5.85 -1.23 -0.84 115.31 119.12 1bkd h LEU 938 Ca 0.00 0.06 -0.10 0.00 0.84 0.00 0.00 57.88 58.68 1bkd h LEU 938 Cb 0.48 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 1bkd h LEU 938 CO 0.00 0.01 -0.24 0.11 -0.34 0.00 0.00 178.44 177.98 1bkd h LYS 939 N 0.13 0.56 -0.52 1.25 1.57 -1.34 0.13 116.57 118.35 1bkd h LYS 939 Ca 0.15 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 1bkd h LYS 939 Cb 0.18 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 1bkd h LYS 939 CO -0.22 0.75 0.19 1.15 -0.57 0.00 0.00 179.45 180.76 1bkd h THR 940 N 0.49 1.22 -0.14 -0.16 2.02 -0.72 0.62 112.91 116.25 1bkd h THR 940 Ca 0.07 -0.71 -0.22 0.00 0.77 0.00 0.00 66.41 66.32 1bkd h THR 940 Cb 0.68 0.70 0.01 0.00 -1.74 0.00 0.00 68.15 67.80 1bkd h THR 940 CO 0.05 0.27 -0.78 -0.33 0.37 0.00 0.00 175.52 175.09 1bkd h GLU 941 N 0.71 0.75 0.00 6.66 5.08 -0.88 -3.16 114.58 123.74 1bkd h GLU 941 Ca 0.17 -0.62 -0.05 0.00 -1.00 0.00 0.00 59.36 57.87 1bkd h GLU 941 Cb 0.22 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1bkd h GLU 941 CO -0.01 1.23 -0.76 0.93 -1.00 0.00 0.00 179.01 179.40 1bkd h GLU 942 N 0.51 0.00 -0.10 2.33 5.08 -0.67 -3.35 114.58 118.38 1bkd h GLU 942 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1bkd h GLU 942 Cb 1.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.66 1bkd h GLU 942 CO 0.16 0.12 0.00 0.41 -1.00 0.00 0.00 179.01 178.70 1bkd n GLY 943 N 1.21 0.44 3.09 -3.84 0.00 0.22 -4.87 105.19 101.43 1bkd n GLY 943 Ca -0.01 -0.51 -0.19 0.00 0.00 0.00 0.00 46.02 45.31 1bkd n GLY 943 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1bkd s ASN 944 N -1.81 1.39 0.71 1.61 0.01 -1.19 -5.02 114.94 110.63 1bkd s ASN 944 Ca 0.35 -0.34 -0.16 0.00 -0.71 0.00 0.00 52.86 52.00 1bkd s ASN 944 Cb 0.20 -0.11 0.03 0.00 0.41 0.00 0.00 41.25 41.78 1bkd s ASN 944 CO 0.31 0.05 1.21 -2.16 -1.51 0.00 0.00 177.10 175.00 1bkd s PRO 945 N -0.77 2.27 0.15 -0.60 0.04 -1.26 -4.87 135.00 129.96 1bkd s PRO 945 Ca 0.02 1.77 0.24 0.00 0.04 0.00 0.00 61.00 63.07 1bkd s PRO 945 Cb -0.06 -1.85 0.40 0.00 0.04 0.00 0.00 34.50 33.03 1bkd s PRO 945 CO 0.00 -1.73 1.38 0.93 0.04 0.00 0.00 177.00 177.62 1bkd h GLU 946 N -0.12 0.00 -2.95 4.56 5.08 -1.93 -3.44 114.58 115.78 1bkd h GLU 946 Ca -0.48 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 57.73 1bkd h GLU 946 Cb 1.30 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 30.29 1bkd h GLU 946 CO 0.51 0.00 -0.35 0.08 -1.00 0.00 0.00 179.01 178.24 1bkd s VAL 947 N -3.17 -0.00 -0.10 3.13 1.01 -1.26 -2.87 120.40 117.13 1bkd s VAL 947 Ca 0.07 0.02 -0.03 0.00 0.00 0.00 0.00 61.98 62.03 1bkd s VAL 947 Cb 0.13 -0.45 -0.03 0.00 0.00 0.00 0.00 36.38 36.02 1bkd s VAL 947 CO 0.70 0.01 0.03 -0.76 0.00 0.00 0.00 175.10 175.09 1bkd s LEU 948 N 0.34 3.76 -0.15 3.92 1.43 0.25 -4.88 118.68 123.35 1bkd s LEU 948 Ca -0.01 0.20 -0.06 0.00 -1.03 0.00 0.00 54.13 53.23 1bkd s LEU 948 Cb -0.03 -1.88 -0.04 0.00 0.03 0.00 0.00 46.19 44.27 1bkd s LEU 948 CO -0.01 0.36 0.05 -0.54 0.23 0.00 0.00 176.35 176.44 1bkd s LYS 949 N -0.78 3.66 -0.05 1.70 -0.14 -1.26 -1.73 119.74 121.14 1bkd s LYS 949 Ca 0.12 -0.35 -0.02 0.00 -1.36 0.00 0.00 55.97 54.37 1bkd s LYS 949 Cb -0.12 -3.09 0.04 0.00 -1.68 0.00 0.00 37.83 32.98 1bkd s LYS 949 CO 0.02 0.43 0.11 1.03 -0.76 0.00 0.00 175.35 176.18 1bkd s ARG 950 N -0.09 0.03 -0.54 1.68 1.81 -0.91 -4.87 118.95 116.06 1bkd s ARG 950 Ca 0.06 0.33 0.00 0.00 -1.72 0.00 0.00 55.73 54.40 1bkd s ARG 950 Cb -0.12 -0.23 0.00 0.00 -0.45 0.00 0.00 34.95 34.15 1bkd s ARG 950 CO 0.01 -0.19 0.00 0.72 -0.68 0.00 0.00 175.30 175.16 1bkd n HIS 951 N 4.37 -1.69 -0.77 -0.53 8.25 -1.26 0.56 115.22 124.15 1bkd n HIS 951 Ca -0.24 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.22 1bkd n HIS 951 Cb 0.51 -1.89 0.00 0.00 1.12 0.00 0.00 29.99 29.72 1bkd n HIS 951 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1bkd n GLY 952 N -0.65 0.78 3.84 -1.41 0.00 -1.26 -5.04 105.19 101.45 1bkd n GLY 952 Ca -0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 1bkd n GLY 952 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bkd s LYS 953 N -0.23 3.13 -0.50 1.61 -0.14 0.19 -5.09 119.74 118.71 1bkd s LYS 953 Ca 0.00 -0.63 -0.16 0.00 -1.36 0.00 0.00 55.97 53.82 1bkd s LYS 953 Cb 0.00 -2.84 0.09 0.00 -1.68 0.00 0.00 37.83 33.40 1bkd s LYS 953 CO 0.00 0.56 0.45 -2.00 -0.76 0.00 0.00 175.35 173.60 1bkd s GLU 954 N -2.64 2.99 -0.14 1.68 2.12 -1.26 -2.15 118.70 119.30 1bkd s GLU 954 Ca 0.32 -1.47 -0.06 0.00 0.36 0.00 0.00 54.97 54.12 1bkd s GLU 954 Cb -0.12 -4.20 -0.04 0.00 0.26 0.00 0.00 34.13 30.03 1bkd s GLU 954 CO 0.25 -1.16 0.07 -0.51 -0.54 0.00 0.00 175.26 173.37 1bkd s LEU 955 N 1.68 3.95 -0.00 2.70 1.43 -0.70 -4.65 118.68 123.09 1bkd s LEU 955 Ca 0.04 0.22 -0.30 0.00 -1.03 0.00 0.00 54.13 53.06 1bkd s LEU 955 Cb -0.26 -1.96 -0.05 0.00 0.03 0.00 0.00 46.19 43.95 1bkd s LEU 955 CO 0.05 0.30 1.26 -0.63 0.23 0.00 0.00 176.35 177.57 1bkd s ILE 956 N -0.38 4.01 -0.78 -0.59 1.01 -0.78 -0.58 121.20 123.10 1bkd s ILE 956 Ca 0.10 1.39 -0.26 0.00 0.00 0.00 0.00 60.65 61.88 1bkd s ILE 956 Cb -0.12 -3.89 -0.00 0.00 0.01 0.00 0.00 42.46 38.46 1bkd s ILE 956 CO 0.02 0.03 1.66 0.21 0.00 0.00 0.00 174.94 176.86 1bkd s ASN 957 N 1.46 5.67 0.10 3.58 3.84 -1.14 -2.10 114.94 126.36 1bkd s ASN 957 Ca 0.59 -0.40 -0.01 0.00 0.21 0.00 0.00 52.86 53.26 1bkd s ASN 957 Cb -0.28 -2.55 -0.21 0.00 -0.55 0.00 0.00 41.25 37.66 1bkd s ASN 957 CO 0.25 -2.18 1.22 0.15 -2.79 0.00 0.00 177.10 173.76 1bkd h PHE 958 N 12.00 0.35 -0.93 0.43 3.57 -1.43 -3.30 116.94 127.64 1bkd h PHE 958 Ca -0.11 -0.24 0.23 0.00 3.53 0.00 0.00 57.97 61.38 1bkd h PHE 958 Cb 1.07 -0.02 -0.12 0.00 2.79 0.00 0.00 35.95 39.67 1bkd h PHE 958 CO 1.15 1.15 0.46 1.03 -2.23 0.00 0.00 178.31 179.87 1bkd h SER 959 N 0.07 0.44 -0.64 0.41 0.87 -1.61 0.19 113.55 113.29 1bkd h SER 959 Ca -0.09 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1bkd h SER 959 Cb 1.82 0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 63.85 1bkd h SER 959 CO 0.17 0.03 0.41 0.50 -0.53 0.00 0.00 176.83 177.41 1bkd h LYS 960 N 0.46 0.84 -0.05 2.24 3.64 -1.86 -0.34 116.57 121.49 1bkd h LYS 960 Ca 0.59 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.81 1bkd h LYS 960 Cb 1.11 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.73 1bkd h LYS 960 CO -0.51 0.57 -0.40 0.00 -2.27 0.00 0.00 179.45 176.84 1bkd h ARG 961 N 0.86 0.11 -0.37 1.90 -0.00 -0.84 -2.44 114.38 113.60 1bkd h ARG 961 Ca 0.23 -0.05 -0.14 0.00 -0.50 0.00 0.00 59.98 59.52 1bkd h ARG 961 Cb -0.08 -0.00 -0.01 0.00 0.00 0.00 0.00 29.97 29.88 1bkd h ARG 961 CO -0.05 0.50 -0.30 -0.09 0.00 0.00 0.00 179.97 180.03 1bkd h ARG 962 N 0.10 0.87 -0.31 0.04 2.43 -0.25 -2.02 114.38 115.23 1bkd h ARG 962 Ca 0.01 -0.43 -0.03 0.00 -0.81 0.00 0.00 59.98 58.72 1bkd h ARG 962 Cb 0.76 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.30 1bkd h ARG 962 CO 0.06 1.08 0.07 0.87 -1.51 0.00 0.00 179.97 180.54 1bkd h LYS 963 N 0.67 0.45 -0.16 0.20 1.57 -0.77 -1.89 116.57 116.64 1bkd h LYS 963 Ca 0.07 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 1bkd h LYS 963 Cb 0.89 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 33.11 1bkd h LYS 963 CO 0.08 0.42 -0.12 0.28 -0.57 0.00 0.00 179.45 179.55 1bkd h VAL 964 N 0.45 1.33 -0.46 0.50 2.07 -1.22 -3.14 116.25 115.77 1bkd h VAL 964 Ca 0.11 -1.23 0.07 0.00 0.82 0.00 0.00 66.70 66.47 1bkd h VAL 964 Cb 0.18 1.80 -0.03 0.00 -1.52 0.00 0.00 31.29 31.72 1bkd h VAL 964 CO -0.00 0.36 0.31 0.00 0.02 0.00 0.00 177.57 178.26 1bkd h ALA 965 N 0.64 2.00 -0.53 1.67 0.00 -0.86 -0.97 119.26 121.20 1bkd h ALA 965 Ca 0.03 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 1bkd h ALA 965 Cb 0.62 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1bkd h ALA 965 CO 0.03 -0.09 -0.13 0.93 0.00 0.00 0.00 179.25 179.99 1bkd h GLU 966 N 0.34 1.02 -0.29 0.00 5.08 -1.31 0.37 114.58 119.79 1bkd h GLU 966 Ca 0.21 -0.39 -0.09 0.00 -1.00 0.00 0.00 59.36 58.09 1bkd h GLU 966 Cb 0.38 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1bkd h GLU 966 CO -0.05 1.08 -0.17 0.82 -1.00 0.00 0.00 179.01 179.70 1bkd h ILE 967 N 0.89 1.30 -0.19 3.13 2.04 -1.30 -0.38 117.51 122.99 1bkd h ILE 967 Ca 0.13 -1.28 0.02 0.00 1.00 0.00 0.00 64.86 64.73 1bkd h ILE 967 Cb 0.70 1.51 -0.02 0.00 -0.74 0.00 0.00 36.82 38.27 1bkd h ILE 967 CO 0.05 0.41 0.07 0.74 0.00 0.00 0.00 178.15 179.42 1bkd h THR 968 N 0.36 0.96 -0.55 -0.27 2.02 -1.08 -1.67 112.91 112.68 1bkd h THR 968 Ca 0.06 -0.06 0.06 0.00 0.77 0.00 0.00 66.41 67.25 1bkd h THR 968 Cb 0.70 0.78 -0.06 0.00 -1.74 0.00 0.00 68.15 67.83 1bkd h THR 968 CO 0.05 0.03 0.25 1.23 0.37 0.00 0.00 175.52 177.45 1bkd h GLY 969 N 0.16 0.77 0.83 2.16 0.00 -0.03 -0.98 103.07 105.99 1bkd h GLY 969 Ca 0.08 -0.16 0.04 0.00 0.00 0.00 0.00 47.33 47.30 1bkd h GLY 969 CO -0.08 0.06 0.48 -2.09 0.00 0.00 0.00 176.54 174.91 1bkd h GLU 970 N 0.47 0.89 -0.04 4.80 4.81 -0.68 -1.39 114.58 123.44 1bkd h GLU 970 Ca 0.26 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.46 1bkd h GLU 970 Cb 0.23 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 1bkd h GLU 970 CO -0.22 0.59 -0.08 0.82 -0.73 0.00 0.00 179.01 179.39 1bkd h ILE 971 N 0.92 0.78 -0.25 2.32 2.04 -0.27 -2.57 117.51 120.48 1bkd h ILE 971 Ca 0.31 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.16 1bkd h ILE 971 Cb 0.05 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1bkd h ILE 971 CO -0.13 0.00 0.11 1.56 0.00 0.00 0.00 178.15 179.69 1bkd h GLN 972 N -0.12 0.34 -0.59 2.37 4.20 -0.76 -2.40 115.11 118.15 1bkd h GLN 972 Ca 0.05 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 1bkd h GLN 972 Cb 0.19 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.87 1bkd h GLN 972 CO -0.12 0.28 0.36 0.37 -0.67 0.00 0.00 178.83 179.05 1bkd h GLN 973 N 0.35 0.80 0.00 1.46 5.75 -0.85 -1.79 115.11 120.82 1bkd h GLN 973 Ca 0.09 -0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.52 1bkd h GLN 973 Cb 0.06 -0.17 0.00 0.00 1.07 0.00 0.00 27.48 28.44 1bkd h GLN 973 CO -0.01 0.57 0.00 0.66 -2.65 0.00 0.00 178.83 177.39 1bkd n TYR 974 N -4.63 0.00 1.21 3.99 4.01 -0.91 -2.66 117.16 118.17 1bkd n TYR 974 Ca 0.04 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.91 1bkd n TYR 974 Cb 0.05 -0.09 0.29 0.00 -0.31 0.00 0.00 39.34 39.27 1bkd n TYR 974 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1bkd n GLN 975 N -1.09 1.28 0.00 -0.72 6.02 -0.67 -4.60 117.38 117.60 1bkd n GLN 975 Ca 0.13 -0.89 0.00 0.00 -0.01 0.00 0.00 57.00 56.23 1bkd n GLN 975 Cb 0.10 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 29.88 1bkd n GLN 975 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1bkd n ASN 976 N -0.08 0.00 -4.65 1.08 3.02 -1.09 -4.85 115.26 108.69 1bkd n ASN 976 Ca 0.13 0.47 -0.47 0.00 -0.03 0.00 0.00 54.58 54.68 1bkd n ASN 976 Cb 0.41 -0.28 -0.04 0.00 -0.61 0.00 0.00 39.78 39.26 1bkd n ASN 976 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1bkd n GLN 977 N -1.33 2.21 -2.51 3.52 1.13 -1.26 -5.00 117.38 114.13 1bkd n GLN 977 Ca 0.00 0.79 -0.27 0.00 -1.94 0.00 0.00 57.00 55.58 1bkd n GLN 977 Cb 0.00 -2.76 0.02 0.00 0.11 0.00 0.00 30.24 27.61 1bkd n GLN 977 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1bkd s PRO 978 N 4.54 3.16 0.00 -1.09 0.04 -1.26 -4.55 135.00 135.84 1bkd s PRO 978 Ca 0.94 0.04 -0.24 0.00 0.04 0.00 0.00 61.00 61.78 1bkd s PRO 978 Cb -0.62 -2.33 -0.05 0.00 0.04 0.00 0.00 34.50 31.54 1bkd s PRO 978 CO 0.48 -0.49 0.72 0.71 0.04 0.00 0.00 177.00 178.45 1bkd s TYR 979 N -2.87 3.68 -1.31 0.56 2.02 -1.26 -4.61 117.35 113.55 1bkd s TYR 979 Ca 0.51 1.36 -0.13 0.00 -0.37 0.00 0.00 57.07 58.44 1bkd s TYR 979 Cb -0.10 -2.78 0.12 0.00 -0.40 0.00 0.00 41.96 38.80 1bkd s TYR 979 CO 0.45 0.23 1.81 0.00 -1.57 0.00 0.00 175.55 176.47 1bkd s LEU 981 N 1.74 1.33 0.05 0.00 1.43 -1.26 -4.58 118.68 117.39 1bkd s LEU 981 Ca 0.45 0.34 -0.30 0.00 -1.03 0.00 0.00 54.13 53.59 1bkd s LEU 981 Cb 0.06 0.61 -0.05 0.00 0.03 0.00 0.00 46.19 46.84 1bkd s LEU 981 CO -0.00 -0.07 1.06 -0.60 0.23 0.00 0.00 176.35 176.97 1bkd s ARG 982 N 0.05 4.54 0.14 1.70 3.52 -1.26 -5.02 118.95 122.62 1bkd s ARG 982 Ca -0.00 1.57 -0.29 0.00 -0.13 0.00 0.00 55.73 56.87 1bkd s ARG 982 Cb -0.01 -3.39 -0.07 0.00 -1.56 0.00 0.00 34.95 29.91 1bkd s ARG 982 CO 0.00 -0.07 0.92 0.08 -0.81 0.00 0.00 175.30 175.42 1bkd s VAL 983 N 0.76 4.40 -0.35 7.11 1.01 -1.26 -4.92 120.40 127.16 1bkd s VAL 983 Ca 0.53 2.00 0.02 0.00 0.00 0.00 0.00 61.98 64.53 1bkd s VAL 983 Cb -0.25 -4.29 0.10 0.00 0.00 0.00 0.00 36.38 31.94 1bkd s VAL 983 CO 0.29 0.39 0.07 -0.70 0.00 0.00 0.00 175.10 175.15 1bkd s GLU 984 N -0.41 1.67 0.30 2.72 -6.30 -1.26 -5.01 118.70 110.41 1bkd s GLU 984 Ca 0.43 -1.81 0.05 0.00 -2.50 0.00 0.00 54.97 51.14 1bkd s GLU 984 Cb -0.24 -3.26 0.74 0.00 0.00 0.00 0.00 34.13 31.37 1bkd s GLU 984 CO 0.29 -0.93 1.73 0.77 0.02 0.00 0.00 175.26 177.15 1bkd h SER 985 N 7.72 0.56 -0.15 -1.70 0.02 -1.98 -1.52 113.55 116.50 1bkd h SER 985 Ca -0.07 0.13 -0.10 0.00 -0.84 0.00 0.00 61.79 60.90 1bkd h SER 985 Cb 1.03 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.61 1bkd h SER 985 CO 0.55 0.13 -0.31 0.44 -1.14 0.00 0.00 176.83 176.50 1bkd h ASP 986 N 0.57 0.53 -0.18 3.07 3.32 -1.99 -2.08 116.42 119.66 1bkd h ASP 986 Ca 0.57 -0.56 -0.06 0.00 0.02 0.00 0.00 57.03 57.00 1bkd h ASP 986 Cb 0.99 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.37 1bkd h ASP 986 CO -0.45 0.99 -0.07 0.40 -1.72 0.00 0.00 179.24 178.39 1bkd h ILE 987 N 0.09 1.21 -0.48 0.35 2.04 -1.94 -1.85 117.51 116.93 1bkd h ILE 987 Ca 0.00 -0.91 -0.10 0.00 1.00 0.00 0.00 64.86 64.85 1bkd h ILE 987 Cb 0.91 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 38.02 1bkd h ILE 987 CO 0.07 0.30 -0.12 0.50 0.00 0.00 0.00 178.15 178.90 1bkd h LYS 988 N 0.48 0.88 -0.08 2.37 3.64 -1.26 -2.70 116.57 119.90 1bkd h LYS 988 Ca 0.10 -0.31 -0.13 0.00 -1.27 0.00 0.00 60.65 59.03 1bkd h LYS 988 Cb 0.42 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 1bkd h LYS 988 CO 0.02 0.96 -0.54 -0.09 -2.27 0.00 0.00 179.45 177.53 1bkd h ARG 989 N 0.79 0.22 0.14 1.90 2.43 -0.83 -2.02 114.38 117.01 1bkd h ARG 989 Ca 0.13 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 1bkd h ARG 989 Cb 0.64 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 1bkd h ARG 989 CO 0.04 0.71 -0.07 0.35 -1.51 0.00 0.00 179.97 179.49 1bkd h PHE 990 N 0.17 -0.17 0.00 2.20 3.57 -1.05 -0.87 116.94 120.79 1bkd h PHE 990 Ca 0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1bkd h PHE 990 Cb 1.00 0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.80 1bkd h PHE 990 CO 0.02 -0.07 0.00 0.74 -2.23 0.00 0.00 178.31 176.77 1bkd h PHE 991 N -0.23 0.00 0.00 0.41 0.04 -1.47 -2.73 116.94 112.96 1bkd h PHE 991 Ca -0.02 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.60 1bkd h PHE 991 Cb 0.18 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.31 1bkd h PHE 991 CO -0.05 0.00 -0.75 1.49 -0.60 0.00 0.00 178.31 178.40 1bkd h GLU 992 N 0.00 0.00 -0.55 1.51 4.81 -1.02 -3.27 114.58 116.06 1bkd h GLU 992 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1bkd h GLU 992 Cb 0.69 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.07 1bkd h GLU 992 CO 0.00 0.72 0.00 0.09 -0.73 0.00 0.00 179.01 179.09 1bkd n ASN 993 N -3.27 3.72 -4.77 1.04 3.02 -0.36 -4.97 115.26 109.66 1bkd n ASN 993 Ca 0.01 -2.00 -0.41 0.00 -0.03 0.00 0.00 54.58 52.15 1bkd n ASN 993 Cb 0.83 -0.36 -0.02 0.00 -0.61 0.00 0.00 39.78 39.62 1bkd n ASN 993 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1bkd s LEU 994 N -1.27 4.39 -0.44 3.41 1.43 -1.05 -4.96 118.68 120.18 1bkd s LEU 994 Ca 0.44 2.80 0.07 0.00 -1.03 0.00 0.00 54.13 56.41 1bkd s LEU 994 Cb 0.24 -3.65 0.23 0.00 0.03 0.00 0.00 46.19 43.04 1bkd s LEU 994 CO 0.33 -0.67 0.63 -3.20 0.23 0.00 0.00 176.35 173.67 1bkd n ASN 995 N 0.98 -1.37 -0.24 2.29 5.15 -1.26 -5.01 115.26 115.79 1bkd n ASN 995 Ca 0.02 -2.86 0.04 0.00 -0.60 0.00 0.00 54.58 51.18 1bkd n ASN 995 Cb 0.41 0.46 0.17 0.00 -0.53 0.00 0.00 39.78 40.28 1bkd n ASN 995 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 1bkd h PRO 996 N 4.41 0.38 0.00 1.20 0.11 -1.93 -2.15 132.00 134.01 1bkd h PRO 996 Ca 0.03 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.11 1bkd h PRO 996 Cb 0.96 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.98 1bkd h PRO 996 CO 0.35 0.25 -0.07 0.52 -0.21 0.00 0.00 178.00 178.84 1bkd h MET 997 N 0.39 0.00 0.00 1.05 2.86 -1.94 -3.48 114.93 113.81 1bkd h MET 997 Ca 0.39 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.03 1bkd h MET 997 Cb 0.60 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.26 1bkd h MET 997 CO -0.41 0.07 0.00 0.41 1.06 0.00 0.00 176.91 178.04 1bkd n GLY 998 N -0.25 3.80 0.91 8.32 0.00 -0.81 -1.77 105.19 115.38 1bkd n GLY 998 Ca -0.01 -0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.10 1bkd n GLY 998 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1bkd n ASN 999 N 6.57 2.91 -4.80 1.61 3.02 -1.26 -4.99 115.26 118.32 1bkd n ASN 999 Ca 0.00 -1.93 -0.34 0.00 -0.03 0.00 0.00 54.58 52.29 1bkd n ASN 999 Cb 0.00 -0.03 -0.02 0.00 -0.61 0.00 0.00 39.78 39.12 1bkd n ASN 999 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1bkd s SER 1000N -1.79 6.13 0.67 6.41 0.01 -0.73 -5.06 113.70 119.34 1bkd s SER 1000Ca 0.27 1.88 -0.09 0.00 1.31 0.00 0.00 55.95 59.33 1bkd s SER 1000Cb 0.19 -2.55 0.02 0.00 0.21 0.00 0.00 66.02 63.89 1bkd s SER 1000CO 0.28 -0.92 1.02 -0.04 0.41 0.00 0.00 173.24 173.98 1bkd s MET 1001N -3.56 2.75 0.04 12.44 -1.94 -1.26 -4.85 119.30 122.91 1bkd s MET 1001Ca 0.66 0.17 -0.10 0.00 -1.71 0.00 0.00 55.69 54.71 1bkd s MET 1001Cb -0.16 -2.13 -0.03 0.00 2.01 0.00 0.00 34.83 34.51 1bkd s MET 1001CO 0.27 -0.96 1.17 1.49 -0.01 0.00 0.00 175.02 176.97 1bkd h GLU 1002N -0.49 -0.09 -0.75 2.03 4.81 -1.97 -1.87 114.58 116.25 1bkd h GLU 1002Ca -0.45 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 58.89 1bkd h GLU 1002Cb 1.27 0.02 -0.08 0.00 0.63 0.00 0.00 28.75 30.59 1bkd h GLU 1002CO 0.62 -0.06 0.38 -0.22 -0.73 0.00 0.00 179.01 179.00 1bkd h LYS 1003N -0.09 0.60 -0.62 1.92 3.64 -1.98 0.12 116.57 120.16 1bkd h LYS 1003Ca 0.03 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.40 1bkd h LYS 1003Cb 0.17 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 31.82 1bkd h LYS 1003CO -0.21 0.40 0.39 1.49 -2.27 0.00 0.00 179.45 179.24 1bkd h GLU 1004N 0.62 0.74 -0.10 1.90 4.81 -1.87 -0.52 114.58 120.15 1bkd h GLU 1004Ca 0.38 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.51 1bkd h GLU 1004Cb 0.42 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.63 1bkd h GLU 1004CO -0.29 0.49 -0.13 0.35 -0.73 0.00 0.00 179.01 178.71 1bkd h PHE 1005N 0.77 0.33 -0.59 0.92 3.57 -0.48 -2.07 116.94 119.38 1bkd h PHE 1005Ca 0.24 -0.10 0.06 0.00 3.53 0.00 0.00 57.97 61.70 1bkd h PHE 1005Cb -0.00 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 38.62 1bkd h PHE 1005CO -0.05 0.71 0.30 1.15 -2.23 0.00 0.00 178.31 178.19 1bkd h THR 1006N -0.16 0.92 -0.44 4.41 2.02 -0.67 -1.30 112.91 117.69 1bkd h THR 1006Ca 0.01 -0.19 -0.05 0.00 0.77 0.00 0.00 66.41 66.96 1bkd h THR 1006Cb 0.67 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 1bkd h THR 1006CO 0.03 0.10 0.08 0.44 0.37 0.00 0.00 175.52 176.54 1bkd h ASP 1007N 0.55 0.62 -0.54 4.18 3.32 -1.06 -2.20 116.42 121.29 1bkd h ASP 1007Ca 0.27 -0.11 -0.05 0.00 0.02 0.00 0.00 57.03 57.17 1bkd h ASP 1007Cb 0.21 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 1bkd h ASP 1007CO -0.20 0.64 0.15 0.22 -1.72 0.00 0.00 179.24 178.33 1bkd h TYR 1008N 0.65 0.89 -0.09 4.55 3.20 -0.53 -0.08 116.97 125.56 1bkd h TYR 1008Ca 0.14 -0.10 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 1bkd h TYR 1008Cb 0.28 -0.25 -0.00 0.00 1.54 0.00 0.00 36.73 38.29 1bkd h TYR 1008CO 0.01 0.77 0.05 -0.07 -1.64 0.00 0.00 178.16 177.28 1bkd h LEU 1009N 0.76 0.12 -0.99 2.82 3.38 -0.98 -1.11 115.31 119.30 1bkd h LEU 1009Ca 0.17 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 1bkd h LEU 1009Cb 0.31 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1bkd h LEU 1009CO -0.00 0.17 0.15 0.15 0.09 0.00 0.00 178.44 179.00 1bkd h PHE 1010N 0.05 0.91 0.00 1.13 3.57 -1.23 -0.28 116.94 121.10 1bkd h PHE 1010Ca 0.03 -0.08 -0.04 0.00 3.53 0.00 0.00 57.97 61.41 1bkd h PHE 1010Cb 0.08 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 1bkd h PHE 1010CO -0.04 0.75 -0.17 -0.91 -2.23 0.00 0.00 178.31 175.71 1bkd h ASN 1011N 0.85 0.00 0.36 0.41 2.35 -0.87 -2.17 115.58 116.51 1bkd h ASN 1011Ca 0.19 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.70 1bkd h ASN 1011Cb 0.29 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.66 1bkd h ASN 1011CO -0.00 0.17 -1.03 0.11 -1.65 0.00 0.00 177.43 175.02 1bkd h LYS 1012N 0.00 0.41 -0.46 0.81 1.79 -0.11 -2.30 116.57 116.71 1bkd h LYS 1012Ca -0.00 -0.49 -0.04 0.00 -2.18 0.00 0.00 60.65 57.94 1bkd h LYS 1012Cb 0.74 0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 31.53 1bkd h LYS 1012CO 0.02 1.16 0.14 1.03 -1.08 0.00 0.00 179.45 180.72 1bkd h SER 1013N 0.21 0.68 -0.10 0.86 0.87 -0.77 -1.68 113.55 113.62 1bkd h SER 1013Ca -0.10 -0.21 -0.05 0.00 -1.23 0.00 0.00 61.79 60.20 1bkd h SER 1013Cb 1.69 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 63.46 1bkd h SER 1013CO 0.18 0.71 -0.07 -0.07 -0.53 0.00 0.00 176.83 177.04 1bkd h LEU 1014N 0.61 0.35 -0.51 2.23 3.38 -1.38 -0.94 115.31 119.05 1bkd h LEU 1014Ca 0.15 -0.07 -0.16 0.00 0.09 0.00 0.00 57.88 57.88 1bkd h LEU 1014Cb 0.28 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1bkd h LEU 1014CO -0.00 0.47 -0.60 -0.08 0.09 0.00 0.00 178.44 178.32 1bkd h GLU 1015N 0.36 0.47 0.00 1.13 4.81 -1.05 -1.80 114.58 118.50 1bkd h GLU 1015Ca 0.07 -0.32 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 1bkd h GLU 1015Cb 0.36 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.79 1bkd h GLU 1015CO 0.02 0.93 -0.82 -0.84 -0.73 0.00 0.00 179.01 177.57 1bkd h ILE 1016N 0.35 0.00 -1.44 2.32 3.07 -1.01 -3.41 117.51 117.39 1bkd h ILE 1016Ca -0.00 -0.97 -0.39 0.00 1.55 0.00 0.00 64.86 65.04 1bkd h ILE 1016Cb 1.15 1.55 -0.28 0.00 -0.27 0.00 0.00 36.82 38.97 1bkd h ILE 1016CO 0.11 0.00 -0.78 -0.62 -1.05 0.00 0.00 178.15 175.81 1bkd n GLU 1017N -2.71 0.52 -1.11 0.16 1.02 -0.38 -4.77 120.64 113.36 1bkd n GLU 1017Ca 0.01 -2.59 -0.34 0.00 -0.02 0.00 0.00 57.16 54.22 1bkd n GLU 1017Cb 0.54 -1.47 0.13 0.00 -0.02 0.00 0.00 31.44 30.62 1bkd n GLU 1017CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1bkd n PRO 1018N 2.29 0.19 -1.73 3.49 -0.04 -0.68 -4.55 135.00 133.96 1bkd n PRO 1018Ca 0.20 0.14 -0.42 0.00 -0.04 0.00 0.00 63.50 63.38 1bkd n PRO 1018Cb 0.54 -2.40 -0.00 0.00 -0.04 0.00 0.00 33.50 31.60 1bkd n PRO 1018CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1bkd n ARG 1019N -3.12 2.40 0.00 0.54 1.74 -1.26 -4.76 116.66 112.20 1bkd n ARG 1019Ca 0.13 0.84 0.00 0.00 -0.77 0.00 0.00 57.85 58.06 1bkd n ARG 1019Cb 0.50 -2.51 0.00 0.00 -1.02 0.00 0.00 32.46 29.44 1bkd n ARG 1019CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1bkd n ASN 1020N 0.74 0.00 0.33 0.55 3.02 -1.26 -0.72 115.26 117.92 1bkd n ASN 1020Ca 0.04 0.00 0.21 0.00 -0.03 0.00 0.00 54.58 54.80 1bkd n ASN 1020Cb 0.37 0.00 1.14 0.00 -0.61 0.00 0.00 39.78 40.68 1bkd n ASN 1020CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1bkd h PRO 1021N 0.00 0.00 -5.81 3.52 0.13 -2.04 -3.40 132.00 124.40 1bkd h PRO 1021Ca 0.00 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.54 1bkd h PRO 1021Cb 0.00 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.05 1bkd h PRO 1021CO 0.00 0.00 0.42 0.15 -0.23 0.00 0.00 178.00 178.34 1bkd s LYS 1022N -4.23 4.21 0.54 0.86 1.02 0.10 -5.03 119.74 117.22 1bkd s LYS 1022Ca -0.05 0.92 -0.22 0.00 0.02 0.00 0.00 55.97 56.64 1bkd s LYS 1022Cb 0.13 -3.62 -0.05 0.00 -0.52 0.00 0.00 37.83 33.76 1bkd s LYS 1022CO 0.42 -0.45 1.37 -1.25 -0.92 0.00 0.00 175.35 174.52 1bkd s PRO 1023N 2.59 3.20 -0.38 -1.68 0.04 -1.26 -4.69 135.00 132.82 1bkd s PRO 1023Ca 0.35 2.27 -0.29 0.00 0.04 0.00 0.00 61.00 63.37 1bkd s PRO 1023Cb -0.16 -2.30 0.00 0.00 0.04 0.00 0.00 34.50 32.08 1bkd s PRO 1023CO 0.09 -1.16 1.45 -1.17 0.04 0.00 0.00 177.00 176.25 1bkd s LEU 1024N -3.43 3.63 0.92 -3.56 2.96 -1.26 -4.83 118.68 113.11 1bkd s LEU 1024Ca 0.70 0.97 -0.13 0.00 -0.22 0.00 0.00 54.13 55.45 1bkd s LEU 1024Cb -0.41 -3.54 0.14 0.00 0.50 0.00 0.00 46.19 42.88 1bkd s LEU 1024CO 0.49 -1.40 1.15 -2.16 -1.32 0.00 0.00 176.35 173.11 1bkd s PRO 1025N 4.89 1.08 0.01 0.98 0.04 -1.26 -5.06 135.00 135.68 1bkd s PRO 1025Ca 0.63 0.22 0.01 0.00 0.04 0.00 0.00 61.00 61.90 1bkd s PRO 1025Cb -0.15 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 1bkd s PRO 1025CO 0.31 -2.22 0.03 1.03 0.04 0.00 0.00 177.00 176.19 1bkd s ARG 1026N -5.35 2.88 0.10 4.56 0.52 -1.26 -4.98 118.95 115.42 1bkd s ARG 1026Ca 0.65 -0.58 0.08 0.00 -0.52 0.00 0.00 55.73 55.35 1bkd s ARG 1026Cb -0.14 -2.73 -0.03 0.00 0.52 0.00 0.00 34.95 32.57 1bkd s ARG 1026CO 0.53 0.63 -0.19 -0.06 0.02 0.00 0.00 175.30 176.23 1bkd s PHE 1027N -1.15 1.66 0.72 -0.53 0.40 -1.26 -5.08 117.98 112.75 1bkd s PHE 1027Ca 0.21 -0.44 -0.14 0.00 -0.60 0.00 0.00 56.93 55.97 1bkd s PHE 1027Cb -0.12 -0.90 0.03 0.00 0.51 0.00 0.00 43.02 42.55 1bkd s PHE 1027CO 0.12 0.19 1.14 -1.25 0.70 0.00 0.00 175.22 176.12 1bkd s PRO 1028N -2.02 2.35 0.41 0.24 0.04 -1.26 -4.52 135.00 130.23 1bkd s PRO 1028Ca 0.06 1.48 -0.25 0.00 0.04 0.00 0.00 61.00 62.32 1bkd s PRO 1028Cb -0.09 -1.89 -0.08 0.00 0.04 0.00 0.00 34.50 32.48 1bkd s PRO 1028CO 0.04 -1.62 1.25 0.15 0.04 0.00 0.00 177.00 176.86 1bkd s LYS 1029N -4.23 3.95 -0.21 4.56 1.02 -1.26 -4.29 119.74 119.29 1bkd s LYS 1029Ca 0.68 2.03 -0.03 0.00 0.02 0.00 0.00 55.97 58.68 1bkd s LYS 1029Cb -0.23 -2.69 -0.12 0.00 -0.52 0.00 0.00 37.83 34.27 1bkd s LYS 1029CO 0.46 -0.47 -0.21 1.17 -0.92 0.00 0.00 175.35 175.39 1bkd n LYS 1030N 0.04 0.49 -3.27 1.68 4.81 -1.26 -4.98 118.16 115.66 1bkd n LYS 1030Ca 0.04 0.15 -0.38 0.00 -0.87 0.00 0.00 58.31 57.25 1bkd n LYS 1030Cb 0.45 -1.35 -0.06 0.00 0.02 0.00 0.00 35.03 34.09 1bkd n LYS 1030CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1bkd s TYR 1031N -2.40 3.56 -0.39 5.64 2.02 -1.26 -4.98 117.35 119.54 1bkd s TYR 1031Ca -0.28 0.99 0.06 0.00 -0.37 0.00 0.00 57.07 57.48 1bkd s TYR 1031Cb 0.09 -2.58 0.65 0.00 -0.40 0.00 0.00 41.96 39.71 1bkd s TYR 1031CO 0.43 0.21 1.80 -1.13 -1.57 0.00 0.00 175.55 175.29 1bkd n SER 1032N 3.45 3.72 -4.17 2.29 3.41 -1.26 -4.95 113.62 116.12 1bkd n SER 1032Ca -0.06 -3.55 -0.11 0.00 -0.26 0.00 0.00 58.87 54.89 1bkd n SER 1032Cb 0.52 -0.77 -0.10 0.00 -0.26 0.00 0.00 64.21 63.59 1bkd n SER 1032CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1bkd s TYR 1033N -3.22 0.90 0.31 7.33 -0.85 -1.26 -5.13 117.35 115.43 1bkd s TYR 1033Ca 0.54 -0.92 -0.30 0.00 -0.52 0.00 0.00 57.07 55.88 1bkd s TYR 1033Cb 0.45 -0.52 -0.12 0.00 0.38 0.00 0.00 41.96 42.16 1bkd s TYR 1033CO 0.09 -0.15 1.51 -0.35 -1.52 0.00 0.00 175.55 175.13 1bkd n PRO 1034N -0.05 2.53 -0.27 -3.49 -0.04 -1.26 -4.91 135.00 127.51 1bkd n PRO 1034Ca -0.12 0.89 0.08 0.00 -0.04 0.00 0.00 63.50 64.32 1bkd n PRO 1034Cb 0.61 -2.62 0.23 0.00 -0.04 0.00 0.00 33.50 31.68 1bkd n PRO 1034CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1bkd n LEU 1035N 1.64 2.83 -4.71 1.53 4.32 -1.26 -4.91 117.00 116.44 1bkd n LEU 1035Ca 0.07 -1.41 -0.42 0.00 -0.02 0.00 0.00 56.01 54.23 1bkd n LEU 1035Cb 0.36 -0.35 -0.03 0.00 -1.62 0.00 0.00 43.42 41.78 1bkd n LEU 1035CO 0.64 0.70 0.78 -0.75 -1.22 0.00 0.00 177.39 177.54 1bkd s LYS 1036N -1.32 4.49 0.23 3.23 2.20 -1.26 -4.95 119.74 122.36 1bkd s LYS 1036Ca 0.35 1.56 -0.30 0.00 -0.36 0.00 0.00 55.97 57.22 1bkd s LYS 1036Cb 0.18 -3.44 -0.09 0.00 -1.51 0.00 0.00 37.83 32.98 1bkd s LYS 1036CO 0.24 -0.18 1.04 0.45 -0.36 0.00 0.00 175.35 176.53 1bkd s SER 1037N 1.07 7.41 0.00 1.43 0.15 -1.26 -4.92 113.70 117.59 1bkd s SER 1037Ca 0.54 2.08 0.20 0.00 0.70 0.00 0.00 55.95 59.47 1bkd s SER 1037Cb -0.24 -2.61 1.04 0.00 -1.71 0.00 0.00 66.02 62.50 1bkd s SER 1037CO 0.27 -0.06 1.61 -0.81 1.20 0.00 0.00 173.24 175.45 1bkd n PRO 1038N 1.73 0.36 0.00 5.44 -0.04 -1.26 -4.98 135.00 136.24 1bkd n PRO 1038Ca -0.00 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1bkd n PRO 1038Cb 0.46 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 1bkd n PRO 1038CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bkd n GLY 1039N 0.36 0.71 0.18 0.55 0.00 -1.26 -4.81 105.19 100.91 1bkd n GLY 1039Ca 0.11 -1.95 0.09 0.00 0.00 0.00 0.00 46.02 44.26 1bkd n GLY 1039CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1bkd n VAL 1040N 1.02 0.00 -3.11 1.61 3.14 -1.26 -4.66 118.33 115.06 1bkd n VAL 1040Ca 0.00 -0.18 -0.39 0.00 -2.96 0.00 0.00 64.34 60.80 1bkd n VAL 1040Cb 0.00 1.09 -0.05 0.00 -1.06 0.00 0.00 33.84 33.82 1bkd n VAL 1040CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 1bkd s ARG 1041N -2.42 4.38 0.80 1.45 0.52 -1.26 -4.92 118.95 117.50 1bkd s ARG 1041Ca 0.10 0.75 -0.13 0.00 -0.52 0.00 0.00 55.73 55.93 1bkd s ARG 1041Cb 0.14 -3.47 0.08 0.00 0.52 0.00 0.00 34.95 32.22 1bkd s ARG 1041CO 0.61 0.03 1.17 -1.25 0.02 0.00 0.00 175.30 175.88 1bkd s PRO 1042N 0.95 1.75 0.09 3.54 0.04 -1.26 -4.98 135.00 135.15 1bkd s PRO 1042Ca 0.34 1.62 -0.28 0.00 0.04 0.00 0.00 61.00 62.72 1bkd s PRO 1042Cb -0.17 -1.80 -0.11 0.00 0.04 0.00 0.00 34.50 32.46 1bkd s PRO 1042CO 0.15 -2.10 1.45 0.66 0.04 0.00 0.00 177.00 177.20 1bkd h SER 1043N -0.94 -1.40 0.00 6.66 4.64 -1.97 -3.55 113.55 116.99 1bkd h SER 1043Ca -0.46 0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1bkd h SER 1043Cb 1.28 0.54 0.00 0.00 -0.31 0.00 0.00 62.40 63.91 1bkd h SER 1043CO 0.47 -0.40 0.00 0.59 -0.87 0.00 0.00 176.83 176.62