#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dx0 h ALA 543 N 0.00 2.48 -0.33 -1.46 0.00 -2.04 0.57 119.26 118.47 2dx0 h ALA 543 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2dx0 h ALA 543 Cb 0.00 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2dx0 h ALA 543 CO 0.00 -0.64 0.06 1.49 0.00 0.00 0.00 179.25 180.16 2dx0 h GLU 544 N 0.00 0.49 0.20 0.00 4.57 -2.01 -2.11 114.58 115.72 2dx0 h GLU 544 Ca 0.24 -0.08 -0.31 0.00 -1.18 0.00 0.00 59.36 58.03 2dx0 h GLU 544 Cb 0.98 -0.08 0.02 0.00 -0.16 0.00 0.00 28.75 29.51 2dx0 h GLU 544 CO -0.00 0.47 -1.40 0.87 -1.18 0.00 0.00 179.01 177.77 2dx0 h LYS 545 N 0.48 0.42 -0.37 1.92 1.57 -0.36 -2.90 116.57 117.32 2dx0 h LYS 545 Ca 0.11 -0.71 0.05 0.00 -1.87 0.00 0.00 60.65 58.23 2dx0 h LYS 545 Cb 0.22 0.26 -0.04 0.00 0.08 0.00 0.00 32.23 32.75 2dx0 h LYS 545 CO -0.00 1.34 0.11 1.25 -0.57 0.00 0.00 179.45 181.57 2dx0 h LEU 546 N 0.11 0.09 -0.57 2.94 6.46 -0.80 -0.57 115.31 122.98 2dx0 h LEU 546 Ca -0.21 0.05 -0.00 0.00 -0.12 0.00 0.00 57.88 57.60 2dx0 h LEU 546 Cb 2.08 0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 42.04 2dx0 h LEU 546 CO 0.24 0.09 0.34 -0.07 -0.62 0.00 0.00 178.44 178.42 2dx0 h LEU 547 N 0.25 0.69 -0.01 2.25 3.38 -1.48 -2.34 115.31 118.04 2dx0 h LEU 547 Ca 0.17 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.10 2dx0 h LEU 547 Cb 0.17 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 2dx0 h LEU 547 CO -0.20 0.54 -0.51 -0.61 0.09 0.00 0.00 178.44 177.76 2dx0 h GLN 548 N 0.77 -0.61 0.00 1.13 5.75 -1.06 0.32 115.11 121.41 2dx0 h GLN 548 Ca 0.20 0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.75 2dx0 h GLN 548 Cb -0.02 0.14 0.00 0.00 1.07 0.00 0.00 27.48 28.67 2dx0 h GLN 548 CO -0.04 -0.41 0.00 0.39 -2.65 0.00 0.00 178.83 176.12 2dx0 n GLU 549 N -5.29 0.00 -0.26 1.69 1.02 -0.32 -1.06 120.64 116.42 2dx0 n GLU 549 Ca -0.07 0.24 0.02 0.00 -0.02 0.00 0.00 57.16 57.33 2dx0 n GLU 549 Cb 0.38 -0.98 0.06 0.00 -0.02 0.00 0.00 31.44 30.87 2dx0 n GLU 549 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 2dx0 n TYR 550 N -0.72 0.13 -0.06 -0.32 4.19 -0.90 -0.02 117.16 119.46 2dx0 n TYR 550 Ca 0.00 0.84 -0.12 0.00 3.31 0.00 0.00 57.90 61.93 2dx0 n TYR 550 Cb 0.00 -0.82 -0.06 0.00 0.49 0.00 0.00 39.34 38.95 2dx0 n TYR 550 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 2dx0 h ALA 552 N 0.74 0.75 -0.58 0.00 0.00 0.67 -0.97 119.26 119.87 2dx0 h ALA 552 Ca 0.05 -0.28 -0.33 0.00 0.00 0.00 0.00 54.91 54.34 2dx0 h ALA 552 Cb 0.47 -0.21 -0.18 0.00 0.00 0.00 0.00 17.79 17.88 2dx0 h ALA 552 CO 0.02 0.55 0.42 0.39 0.00 0.00 0.00 179.25 180.63 2dx0 n GLU 553 N -4.28 1.80 0.00 0.00 1.02 0.97 -3.75 120.64 116.41 2dx0 n GLU 553 Ca 0.02 -1.79 0.00 0.00 -0.02 0.00 0.00 57.16 55.37 2dx0 n GLU 553 Cb 0.31 -1.70 0.00 0.00 -0.02 0.00 0.00 31.44 30.03 2dx0 n GLU 553 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2dx0 n THR 554 N -0.28 0.00 -1.52 2.62 -1.04 -0.91 -4.89 114.28 108.26 2dx0 n THR 554 Ca 0.35 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 62.24 2dx0 n THR 554 Cb 1.00 0.18 -0.05 0.00 -1.82 0.00 0.00 70.33 69.64 2dx0 n THR 554 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2dx0 n GLY 555 N 0.00 1.09 3.62 3.41 0.00 -0.42 -4.89 105.19 108.00 2dx0 n GLY 555 Ca 0.00 -0.42 -0.50 0.00 0.00 0.00 0.00 46.02 45.10 2dx0 n GLY 555 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dx0 n ALA 556 N 0.74 -0.14 -1.33 4.61 0.00 -0.87 -4.94 120.51 118.58 2dx0 n ALA 556 Ca -0.13 0.49 -0.31 0.00 0.00 0.00 0.00 53.44 53.49 2dx0 n ALA 556 Cb 0.45 -2.18 0.09 0.00 0.00 0.00 0.00 19.45 17.82 2dx0 n ALA 556 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2dx0 s LYS 557 N 0.73 2.13 0.56 0.00 -2.85 -1.26 -4.92 119.74 114.13 2dx0 s LYS 557 Ca 0.83 1.00 -0.21 0.00 -1.00 0.00 0.00 55.97 56.59 2dx0 s LYS 557 Cb -0.86 -1.89 -0.05 0.00 -2.06 0.00 0.00 37.83 32.97 2dx0 s LYS 557 CO 0.44 -1.69 1.30 -0.25 0.10 0.00 0.00 175.35 175.26 2dx0 n ASP 558 N -3.53 2.38 0.00 0.03 8.00 -1.26 -3.07 116.55 119.10 2dx0 n ASP 558 Ca 0.08 0.95 0.00 0.00 0.71 0.00 0.00 54.79 56.53 2dx0 n ASP 558 Cb 0.54 -1.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.09 2dx0 n ASP 558 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dx0 n GLY 559 N 0.84 0.94 3.68 0.44 0.00 0.55 -4.98 105.19 106.67 2dx0 n GLY 559 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 2dx0 n GLY 559 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dx0 s THR 560 N -2.12 3.56 0.17 2.61 2.01 -1.17 -4.73 115.64 115.97 2dx0 s THR 560 Ca 0.00 0.91 0.03 0.00 0.31 0.00 0.00 61.69 62.94 2dx0 s THR 560 Cb 0.00 -3.58 -0.01 0.00 0.01 0.00 0.00 72.50 68.92 2dx0 s THR 560 CO 0.00 -0.02 0.10 2.22 -0.69 0.00 0.00 174.62 176.23 2dx0 n PHE 561 N 5.80 -0.16 -3.60 4.92 -1.74 -1.26 0.33 117.46 121.75 2dx0 n PHE 561 Ca 0.15 -1.24 -0.10 0.00 -0.56 0.00 0.00 57.45 55.69 2dx0 n PHE 561 Cb 0.43 0.07 -0.06 0.00 1.52 0.00 0.00 39.48 41.44 2dx0 n PHE 561 CO 0.00 0.00 0.00 -0.48 -0.56 0.00 0.00 176.76 175.72 2dx0 s LEU 562 N 0.00 -0.39 -0.13 5.98 2.34 -0.62 -4.98 118.68 120.87 2dx0 s LEU 562 Ca 0.14 0.56 -0.00 0.00 0.06 0.00 0.00 54.13 54.89 2dx0 s LEU 562 Cb 0.01 1.86 -0.01 0.00 -0.56 0.00 0.00 46.19 47.48 2dx0 s LEU 562 CO 0.10 -0.27 -0.13 -0.69 -1.06 0.00 0.00 176.35 174.30 2dx0 s VAL 563 N -0.61 2.97 0.10 1.48 1.01 -1.26 -1.90 120.40 122.19 2dx0 s VAL 563 Ca 0.00 -0.68 0.10 0.00 0.00 0.00 0.00 61.98 61.39 2dx0 s VAL 563 Cb -0.02 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.07 2dx0 s VAL 563 CO -0.01 0.52 -0.25 -0.13 0.00 0.00 0.00 175.10 175.23 2dx0 s ARG 564 N 0.44 1.42 0.26 2.72 1.81 -0.56 -4.95 118.95 120.08 2dx0 s ARG 564 Ca -0.10 -1.21 -0.29 0.00 -1.72 0.00 0.00 55.73 52.40 2dx0 s ARG 564 Cb -0.16 -1.75 -0.09 0.00 -0.45 0.00 0.00 34.95 32.49 2dx0 s ARG 564 CO 0.05 0.43 1.27 -2.00 -0.68 0.00 0.00 175.30 174.36 2dx0 s GLU 565 N -1.75 4.43 1.12 3.54 2.12 -1.26 0.23 118.70 127.13 2dx0 s GLU 565 Ca 0.11 2.06 -0.17 0.00 0.36 0.00 0.00 54.97 57.33 2dx0 s GLU 565 Cb -0.10 -3.15 0.18 0.00 0.26 0.00 0.00 34.13 31.32 2dx0 s GLU 565 CO 0.04 -0.14 0.28 0.45 -0.54 0.00 0.00 175.26 175.35 2dx0 n SER 566 N 1.71 -2.86 -0.09 -1.70 2.88 -0.49 -4.79 113.62 108.29 2dx0 n SER 566 Ca 0.03 -0.34 -0.21 0.00 -1.33 0.00 0.00 58.87 57.01 2dx0 n SER 566 Cb 0.43 -0.89 -0.12 0.00 -0.75 0.00 0.00 64.21 62.88 2dx0 n SER 566 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2dx0 n GLU 567 N -2.53 0.67 0.00 -1.46 2.13 -1.26 -4.86 120.64 113.32 2dx0 n GLU 567 Ca 0.04 0.24 0.00 0.00 0.66 0.00 0.00 57.16 58.10 2dx0 n GLU 567 Cb 0.50 -1.59 0.00 0.00 0.27 0.00 0.00 31.44 30.62 2dx0 n GLU 567 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 2dx0 n THR 568 N -3.58 0.00 0.00 6.31 -2.24 -1.26 -5.22 114.28 108.28 2dx0 n THR 568 Ca -0.42 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 2dx0 n THR 568 Cb 0.96 -0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 2dx0 n THR 568 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2dx0 n PHE 569 N -1.83 0.00 0.00 4.78 0.99 -1.26 -5.24 117.46 114.90 2dx0 n PHE 569 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 2dx0 n PHE 569 Cb 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.78 2dx0 n PHE 569 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 2dx0 n ASP 572 N 0.00 0.00 -4.23 4.37 10.43 -1.26 -5.05 116.55 120.81 2dx0 n ASP 572 Ca 0.00 0.00 -0.13 0.00 2.57 0.00 0.00 54.79 57.23 2dx0 n ASP 572 Cb 0.00 0.34 -0.10 0.00 1.84 0.00 0.00 41.12 43.20 2dx0 n ASP 572 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 2dx0 s TYR 573 N -2.89 1.18 -0.06 1.24 1.51 -1.13 -1.39 117.35 115.81 2dx0 s TYR 573 Ca 0.00 -1.12 0.05 0.00 -1.01 0.00 0.00 57.07 54.99 2dx0 s TYR 573 Cb 0.00 -0.67 -0.01 0.00 -0.11 0.00 0.00 41.96 41.18 2dx0 s TYR 573 CO 0.00 -0.33 -0.22 0.99 -1.11 0.00 0.00 175.55 174.88 2dx0 s THR 574 N -3.80 1.82 -0.19 -0.71 2.01 0.14 -0.70 115.64 114.22 2dx0 s THR 574 Ca 0.27 -0.93 -0.08 0.00 0.31 0.00 0.00 61.69 61.26 2dx0 s THR 574 Cb 0.07 -1.55 -0.04 0.00 0.01 0.00 0.00 72.50 70.98 2dx0 s THR 574 CO 0.05 0.51 0.10 -0.22 -0.69 0.00 0.00 174.62 174.37 2dx0 s LEU 575 N -0.00 4.02 -0.05 4.42 1.98 -0.12 -1.50 118.68 127.43 2dx0 s LEU 575 Ca -0.06 0.17 0.03 0.00 -2.89 0.00 0.00 54.13 51.38 2dx0 s LEU 575 Cb -0.14 -2.02 0.00 0.00 0.66 0.00 0.00 46.19 44.69 2dx0 s LEU 575 CO 0.04 0.19 -0.14 -0.44 -1.89 0.00 0.00 176.35 174.11 2dx0 s SER 576 N 0.27 1.93 0.04 3.68 0.01 -0.80 -1.19 113.70 117.64 2dx0 s SER 576 Ca 0.06 -0.32 -0.03 0.00 1.31 0.00 0.00 55.95 56.97 2dx0 s SER 576 Cb -0.12 -0.70 -0.02 0.00 0.21 0.00 0.00 66.02 65.39 2dx0 s SER 576 CO -0.01 0.09 0.04 0.72 0.41 0.00 0.00 173.24 174.49 2dx0 s PHE 577 N 0.33 0.31 0.00 2.43 -0.12 -0.65 -1.59 117.98 118.70 2dx0 s PHE 577 Ca -0.09 -0.69 -0.29 0.00 -0.05 0.00 0.00 56.93 55.81 2dx0 s PHE 577 Cb -0.13 -0.23 -0.03 0.00 -0.63 0.00 0.00 43.02 42.00 2dx0 s PHE 577 CO 0.03 -0.35 0.93 -0.46 -0.05 0.00 0.00 175.22 175.32 2dx0 s TRP 578 N -2.88 3.66 -0.27 3.49 -0.11 0.15 -0.80 118.94 122.18 2dx0 s TRP 578 Ca -0.03 1.63 -0.01 0.00 1.22 0.00 0.00 56.10 58.92 2dx0 s TRP 578 Cb 0.00 -3.06 0.16 0.00 -1.50 0.00 0.00 33.47 29.07 2dx0 s TRP 578 CO -0.06 0.03 0.45 0.50 -4.62 0.00 0.00 176.95 173.25 2dx0 s ARG 579 N 0.87 0.43 -1.18 5.86 6.06 0.29 -0.33 118.95 130.95 2dx0 s ARG 579 Ca 0.49 0.57 -0.20 0.00 -2.50 0.00 0.00 55.73 54.09 2dx0 s ARG 579 Cb -0.21 -0.14 -0.00 0.00 0.06 0.00 0.00 34.95 34.66 2dx0 s ARG 579 CO 0.27 -0.74 0.74 0.43 -2.50 0.00 0.00 175.30 173.49 2dx0 n SER 580 N 5.38 -4.56 0.00 -2.12 7.64 -1.26 -1.58 113.62 117.12 2dx0 n SER 580 Ca -0.02 -1.05 0.00 0.00 1.01 0.00 0.00 58.87 58.81 2dx0 n SER 580 Cb 0.50 -3.12 0.00 0.00 -1.01 0.00 0.00 64.21 60.59 2dx0 n SER 580 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dx0 n GLY 581 N -1.77 2.47 3.62 0.23 0.00 -1.26 -4.98 105.19 103.50 2dx0 n GLY 581 Ca -0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.64 2dx0 n GLY 581 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dx0 s ARG 582 N 0.00 2.23 -0.31 1.61 3.00 -0.62 -5.10 118.95 119.76 2dx0 s ARG 582 Ca 0.00 -1.25 -0.11 0.00 0.00 0.00 0.00 55.73 54.36 2dx0 s ARG 582 Cb 0.00 -2.22 -0.02 0.00 0.00 0.00 0.00 34.95 32.70 2dx0 s ARG 582 CO 0.00 0.42 0.20 0.08 0.00 0.00 0.00 175.30 176.00 2dx0 s VAL 583 N -1.87 5.07 0.43 3.52 1.01 -1.26 -0.55 120.40 126.75 2dx0 s VAL 583 Ca 0.27 -0.17 0.07 0.00 0.00 0.00 0.00 61.98 62.15 2dx0 s VAL 583 Cb -0.08 -3.54 0.01 0.00 0.00 0.00 0.00 36.38 32.76 2dx0 s VAL 583 CO 0.17 0.09 0.59 -1.10 0.00 0.00 0.00 175.10 174.85 2dx0 s GLN 584 N 1.70 2.83 0.14 2.72 -1.52 0.02 -4.92 119.66 120.63 2dx0 s GLN 584 Ca 0.06 -1.16 -0.19 0.00 -1.95 0.00 0.00 55.36 52.12 2dx0 s GLN 584 Cb -0.17 -2.73 0.05 0.00 -0.22 0.00 0.00 33.01 29.94 2dx0 s GLN 584 CO 0.09 -0.29 0.48 -3.38 -0.25 0.00 0.00 175.29 171.94 2dx0 s HIS 585 N -2.38 -0.32 -0.23 0.91 -3.43 -1.26 -1.63 115.29 106.95 2dx0 s HIS 585 Ca 0.54 0.04 -0.19 0.00 -0.80 0.00 0.00 55.06 54.65 2dx0 s HIS 585 Cb -0.10 0.38 0.06 0.00 -1.43 0.00 0.00 32.58 31.49 2dx0 s HIS 585 CO 0.34 -0.77 0.59 0.00 -2.00 0.00 0.00 174.74 172.90 2dx0 s ARG 587 N 0.53 4.72 -0.32 0.00 3.52 -1.26 -0.95 118.95 125.19 2dx0 s ARG 587 Ca -0.02 1.65 -0.12 0.00 -0.13 0.00 0.00 55.73 57.11 2dx0 s ARG 587 Cb -0.05 -3.25 -0.03 0.00 -1.56 0.00 0.00 34.95 30.07 2dx0 s ARG 587 CO -0.02 0.30 0.21 0.42 -0.81 0.00 0.00 175.30 175.40 2dx0 s ILE 588 N -0.92 5.20 0.44 4.11 1.01 0.13 -4.74 121.20 126.43 2dx0 s ILE 588 Ca 0.44 -0.13 0.07 0.00 0.00 0.00 0.00 60.65 61.03 2dx0 s ILE 588 Cb -0.29 -3.61 0.02 0.00 0.01 0.00 0.00 42.46 38.59 2dx0 s ILE 588 CO 0.36 0.08 0.61 -0.13 0.00 0.00 0.00 174.94 175.85 2dx0 s ARG 589 N 1.72 2.77 0.05 2.79 0.52 -0.77 -2.85 118.95 123.17 2dx0 s ARG 589 Ca 0.06 -1.19 -0.02 0.00 -0.52 0.00 0.00 55.73 54.06 2dx0 s ARG 589 Cb -0.17 -2.72 -0.03 0.00 0.52 0.00 0.00 34.95 32.55 2dx0 s ARG 589 CO 0.10 -0.35 0.01 -1.54 0.02 0.00 0.00 175.30 173.54 2dx0 s SER 590 N -4.37 0.38 0.34 0.23 1.04 -1.26 -1.75 113.70 108.30 2dx0 s SER 590 Ca 0.56 -0.85 -0.11 0.00 0.48 0.00 0.00 55.95 56.02 2dx0 s SER 590 Cb -0.10 0.21 0.05 0.00 0.10 0.00 0.00 66.02 66.27 2dx0 s SER 590 CO 0.34 -0.57 0.65 0.35 0.98 0.00 0.00 173.24 174.99 2dx0 n THR 591 N 0.33 0.00 -4.19 2.02 -2.24 -0.91 -4.99 114.28 104.30 2dx0 n THR 591 Ca -0.16 -0.94 -0.34 0.00 -2.27 0.00 0.00 64.05 60.34 2dx0 n THR 591 Cb 0.60 0.86 -0.14 0.00 -2.10 0.00 0.00 70.33 69.55 2dx0 n THR 591 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 2dx0 s MET 592 N -2.15 3.32 -0.40 -0.78 -1.94 -1.26 -1.19 119.30 114.89 2dx0 s MET 592 Ca 0.15 -0.67 -0.01 0.00 -1.71 0.00 0.00 55.69 53.45 2dx0 s MET 592 Cb -0.04 -2.83 0.11 0.00 2.01 0.00 0.00 34.83 34.08 2dx0 s MET 592 CO 0.11 -0.08 0.17 -2.00 -0.01 0.00 0.00 175.02 173.21 2dx0 s GLU 593 N 1.11 1.87 -1.32 2.03 2.12 -0.02 -4.66 118.70 119.83 2dx0 s GLU 593 Ca 0.01 -1.88 -0.06 0.00 0.36 0.00 0.00 54.97 53.40 2dx0 s GLU 593 Cb -0.14 -3.48 0.01 0.00 0.26 0.00 0.00 34.13 30.78 2dx0 s GLU 593 CO -0.02 -1.04 1.07 -1.71 -0.54 0.00 0.00 175.26 173.02 2dx0 n ASN 594 N 4.42 -4.48 0.00 -1.70 2.85 -1.26 -2.31 115.26 112.79 2dx0 n ASN 594 Ca 0.00 -0.61 0.00 0.00 -0.11 0.00 0.00 54.58 53.86 2dx0 n ASN 594 Cb 0.41 -4.87 0.00 0.00 1.24 0.00 0.00 39.78 36.56 2dx0 n ASN 594 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2dx0 n GLY 595 N -1.67 1.87 3.52 8.20 0.00 -1.26 -5.03 105.19 110.82 2dx0 n GLY 595 Ca -0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 2dx0 n GLY 595 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dx0 s VAL 596 N -2.98 3.64 0.25 1.61 0.11 -0.98 -5.07 120.40 116.99 2dx0 s VAL 596 Ca 0.00 -0.48 -0.30 0.00 -2.93 0.00 0.00 61.98 58.27 2dx0 s VAL 596 Cb 0.00 -2.53 -0.10 0.00 -1.53 0.00 0.00 36.38 32.22 2dx0 s VAL 596 CO 0.00 0.55 1.41 -0.32 -3.33 0.00 0.00 175.10 173.41 2dx0 s MET 597 N -0.23 4.29 0.10 1.54 1.75 -1.26 -0.84 119.30 124.65 2dx0 s MET 597 Ca 0.03 2.26 0.01 0.00 -1.25 0.00 0.00 55.69 56.74 2dx0 s MET 597 Cb -0.13 -3.12 -0.04 0.00 2.84 0.00 0.00 34.83 34.38 2dx0 s MET 597 CO 0.03 -0.38 -0.04 0.15 -0.65 0.00 0.00 175.02 174.13 2dx0 s LYS 598 N -0.47 0.81 0.11 4.11 -0.14 -0.33 -4.68 119.74 119.15 2dx0 s LYS 598 Ca 0.58 -1.34 0.06 0.00 -1.36 0.00 0.00 55.97 53.91 2dx0 s LYS 598 Cb -0.41 -0.05 -0.04 0.00 -1.68 0.00 0.00 37.83 35.66 2dx0 s LYS 598 CO 0.44 -0.08 -0.14 0.71 -0.76 0.00 0.00 175.35 175.51 2dx0 s TYR 599 N -3.76 1.38 0.07 3.18 2.02 0.57 -2.13 117.35 118.69 2dx0 s TYR 599 Ca 0.13 -0.53 -0.26 0.00 -0.37 0.00 0.00 57.07 56.04 2dx0 s TYR 599 Cb 0.06 -0.74 0.08 0.00 -0.40 0.00 0.00 41.96 40.97 2dx0 s TYR 599 CO -0.05 0.13 0.82 1.52 -1.57 0.00 0.00 175.55 176.40 2dx0 s TYR 600 N -1.90 -0.36 -0.15 2.71 -0.85 -0.72 0.30 117.35 116.39 2dx0 s TYR 600 Ca 0.06 0.16 0.09 0.00 -0.52 0.00 0.00 57.07 56.87 2dx0 s TYR 600 Cb -0.06 0.57 -0.15 0.00 0.38 0.00 0.00 41.96 42.69 2dx0 s TYR 600 CO 0.03 -0.70 -0.01 1.28 -1.52 0.00 0.00 175.55 174.63 2dx0 n LEU 601 N -0.32 0.87 -3.98 -3.49 4.77 -1.26 -1.85 117.00 111.74 2dx0 n LEU 601 Ca -0.10 -0.03 -0.17 0.00 -0.03 0.00 0.00 56.01 55.68 2dx0 n LEU 601 Cb 0.62 0.06 -0.15 0.00 -2.33 0.00 0.00 43.42 41.63 2dx0 n LEU 601 CO 0.12 0.47 -0.41 0.28 -1.33 0.00 0.00 177.39 176.51 2dx0 s THR 602 N -2.34 0.53 0.41 -5.08 -1.32 -1.26 -1.45 115.64 105.13 2dx0 s THR 602 Ca -0.12 -0.27 0.22 0.00 -1.21 0.00 0.00 61.69 60.31 2dx0 s THR 602 Cb 0.05 -0.46 0.42 0.00 -1.51 0.00 0.00 72.50 71.00 2dx0 s THR 602 CO 0.51 0.16 1.73 0.44 -2.21 0.00 0.00 174.62 175.25 2dx0 h ASP 603 N 6.07 0.38 0.00 8.08 5.19 -1.98 -2.62 116.42 131.55 2dx0 h ASP 603 Ca -0.30 0.10 0.00 0.00 -0.62 0.00 0.00 57.03 56.21 2dx0 h ASP 603 Cb 1.18 0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.74 2dx0 h ASP 603 CO 0.50 -0.00 0.00 -0.46 -3.12 0.00 0.00 179.24 176.16 2dx0 n ASN 604 N -4.65 0.00 -3.45 6.45 6.94 -1.26 -4.61 115.26 114.68 2dx0 n ASN 604 Ca 0.29 -1.20 -0.19 0.00 -0.02 0.00 0.00 54.58 53.45 2dx0 n ASN 604 Cb 1.04 0.00 -0.12 0.00 -2.36 0.00 0.00 39.78 38.35 2dx0 n ASN 604 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 2dx0 s LEU 605 N -1.79 -0.07 0.28 -4.53 2.96 -0.99 -5.15 118.68 109.39 2dx0 s LEU 605 Ca 0.38 -0.67 0.07 0.00 -0.22 0.00 0.00 54.13 53.68 2dx0 s LEU 605 Cb 0.17 0.33 -0.03 0.00 0.50 0.00 0.00 46.19 47.16 2dx0 s LEU 605 CO 0.29 -0.38 0.27 0.42 -1.32 0.00 0.00 176.35 175.63 2dx0 s THR 606 N 2.31 4.34 0.09 3.68 -4.23 -1.26 -4.46 115.64 116.12 2dx0 s THR 606 Ca 0.09 -1.29 0.02 0.00 -1.18 0.00 0.00 61.69 59.32 2dx0 s THR 606 Cb -0.15 -3.43 -0.04 0.00 1.34 0.00 0.00 72.50 70.22 2dx0 s THR 606 CO -0.27 -0.29 -0.07 -0.36 -0.54 0.00 0.00 174.62 173.09 2dx0 s PHE 607 N -2.15 0.90 -0.12 3.99 0.40 0.15 -4.90 117.98 116.24 2dx0 s PHE 607 Ca 0.36 -0.83 0.24 0.00 -0.60 0.00 0.00 56.93 56.10 2dx0 s PHE 607 Cb -0.08 -0.51 0.68 0.00 0.51 0.00 0.00 43.02 43.62 2dx0 s PHE 607 CO 0.26 -0.12 1.72 -0.91 0.70 0.00 0.00 175.22 176.88 2dx0 h ASN 608 N 3.21 0.00 -5.04 1.36 -0.26 -1.86 0.16 115.58 113.15 2dx0 h ASN 608 Ca -0.36 0.00 0.04 0.00 -0.56 0.00 0.00 56.30 55.42 2dx0 h ASN 608 Cb 1.17 0.00 -0.07 0.00 -1.06 0.00 0.00 38.32 38.37 2dx0 h ASN 608 CO 0.60 0.14 0.17 -0.94 -1.06 0.00 0.00 177.43 176.35 2dx0 s SER 609 N -6.13 -0.27 0.24 5.81 1.04 -1.26 -4.83 113.70 108.30 2dx0 s SER 609 Ca 0.04 -0.57 -0.05 0.00 0.48 0.00 0.00 55.95 55.85 2dx0 s SER 609 Cb 0.08 0.69 0.25 0.00 0.10 0.00 0.00 66.02 67.13 2dx0 s SER 609 CO 0.64 -1.26 1.75 0.40 0.98 0.00 0.00 173.24 175.75 2dx0 h ILE 610 N 2.05 1.25 -0.03 -1.02 1.08 -1.98 -1.46 117.51 117.39 2dx0 h ILE 610 Ca -0.22 -0.97 0.03 0.00 -0.39 0.00 0.00 64.86 63.31 2dx0 h ILE 610 Cb 1.26 0.71 -0.04 0.00 -3.07 0.00 0.00 36.82 35.68 2dx0 h ILE 610 CO 0.27 0.36 -0.18 0.22 -0.69 0.00 0.00 178.15 178.13 2dx0 h TYR 611 N 0.89 -0.47 -0.43 1.37 3.20 -1.99 0.75 116.97 120.28 2dx0 h TYR 611 Ca 0.18 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.02 2dx0 h TYR 611 Cb 0.40 0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.87 2dx0 h TYR 611 CO 0.03 -0.26 0.08 0.00 -1.64 0.00 0.00 178.16 176.37 2dx0 h ALA 612 N 0.66 1.34 0.24 1.82 0.00 -1.92 -1.22 119.26 120.18 2dx0 h ALA 612 Ca 0.07 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2dx0 h ALA 612 Cb 0.37 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2dx0 h ALA 612 CO -0.19 0.47 -0.11 1.25 0.00 0.00 0.00 179.25 180.66 2dx0 h LEU 613 N 0.63 -0.27 0.17 0.00 6.46 -0.63 -2.25 115.31 119.42 2dx0 h LEU 613 Ca 0.14 -0.18 0.00 0.00 -0.12 0.00 0.00 57.88 57.73 2dx0 h LEU 613 Cb 0.28 0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.26 2dx0 h LEU 613 CO 0.00 0.04 -0.17 0.40 -0.62 0.00 0.00 178.44 178.09 2dx0 h ILE 614 N -0.59 0.63 -0.87 4.05 5.03 -0.71 -2.50 117.51 122.56 2dx0 h ILE 614 Ca -0.03 0.00 0.14 0.00 -0.12 0.00 0.00 64.86 64.85 2dx0 h ILE 614 Cb 0.43 0.63 -0.07 0.00 -3.03 0.00 0.00 36.82 34.79 2dx0 h ILE 614 CO 0.05 0.00 0.56 1.56 -0.68 0.00 0.00 178.15 179.65 2dx0 h GLN 615 N -0.36 0.63 -0.27 2.37 1.08 -1.26 -1.26 115.11 116.04 2dx0 h GLN 615 Ca 0.00 -0.04 -0.04 0.00 -1.45 0.00 0.00 58.65 57.13 2dx0 h GLN 615 Cb 0.34 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.62 2dx0 h GLN 615 CO -0.04 0.42 0.03 1.25 -0.95 0.00 0.00 178.83 179.54 2dx0 h HIS 616 N 0.65 0.48 0.00 2.96 2.76 -1.03 -2.08 115.15 118.89 2dx0 h HIS 616 Ca 0.43 -0.07 0.00 0.00 -2.20 0.00 0.00 60.37 58.53 2dx0 h HIS 616 Cb 0.73 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 29.56 2dx0 h HIS 616 CO -0.00 0.57 0.00 0.66 -1.30 0.00 0.00 177.93 177.86 2dx0 n TYR 617 N -4.65 0.00 0.06 5.26 4.02 -0.54 -0.88 117.16 120.42 2dx0 n TYR 617 Ca -0.03 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 57.96 2dx0 n TYR 617 Cb 0.22 -0.04 -0.16 0.00 -0.02 0.00 0.00 39.34 39.34 2dx0 n TYR 617 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 2dx0 n ARG 618 N -0.27 0.61 0.00 -0.72 3.00 -0.79 -4.36 116.66 114.13 2dx0 n ARG 618 Ca 0.00 -0.18 0.02 0.00 -0.00 0.00 0.00 57.85 57.69 2dx0 n ARG 618 Cb 0.09 -1.49 -0.01 0.00 0.00 0.00 0.00 32.46 31.05 2dx0 n ARG 618 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2dx0 n GLU 619 N -2.17 4.48 -3.93 -0.14 1.02 -0.06 -5.01 120.64 114.83 2dx0 n GLU 619 Ca -0.03 -0.16 -0.10 0.00 -0.02 0.00 0.00 57.16 56.85 2dx0 n GLU 619 Cb 0.53 -0.75 -0.11 0.00 -0.02 0.00 0.00 31.44 31.09 2dx0 n GLU 619 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2dx0 s ALA 620 N -1.09 -0.03 0.52 0.62 0.00 -0.38 -5.11 121.76 116.28 2dx0 s ALA 620 Ca 0.02 -0.36 -0.21 0.00 0.00 0.00 0.00 51.96 51.41 2dx0 s ALA 620 Cb 0.03 0.10 -0.06 0.00 0.00 0.00 0.00 23.12 23.19 2dx0 s ALA 620 CO 0.12 -0.15 1.20 -3.38 0.00 0.00 0.00 175.76 173.55 2dx0 s HIS 621 N -1.19 2.65 0.77 0.00 -3.43 -1.26 -4.30 115.29 108.53 2dx0 s HIS 621 Ca -0.13 1.51 -0.15 0.00 -0.80 0.00 0.00 55.06 55.49 2dx0 s HIS 621 Cb -0.08 -3.45 0.01 0.00 -1.43 0.00 0.00 32.58 27.63 2dx0 s HIS 621 CO -0.00 -1.89 0.76 1.28 -2.00 0.00 0.00 174.74 172.89 2dx0 n LEU 622 N -0.94 2.07 -3.76 5.38 4.77 -1.26 -4.98 117.00 118.28 2dx0 n LEU 622 Ca 0.10 0.57 -0.14 0.00 -0.03 0.00 0.00 56.01 56.51 2dx0 n LEU 622 Cb 0.48 -1.32 -0.15 0.00 -2.33 0.00 0.00 43.42 40.10 2dx0 n LEU 622 CO 0.47 -2.63 -0.27 -0.13 -1.33 0.00 0.00 177.39 173.49 2dx0 s ARG 623 N -3.30 0.05 -0.40 3.23 1.81 -1.26 -5.12 118.95 113.95 2dx0 s ARG 623 Ca 0.68 0.29 0.01 0.00 -1.72 0.00 0.00 55.73 54.99 2dx0 s ARG 623 Cb -0.32 -0.19 0.13 0.00 -0.45 0.00 0.00 34.95 34.13 2dx0 s ARG 623 CO 0.56 -0.15 0.20 0.00 -0.68 0.00 0.00 175.30 175.23 2dx0 h ALA 625 N 7.04 1.62 -0.50 0.00 0.00 -1.61 -0.42 119.26 125.39 2dx0 h ALA 625 Ca -0.03 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2dx0 h ALA 625 Cb 0.95 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 2dx0 h ALA 625 CO 0.45 -0.33 0.11 1.49 0.00 0.00 0.00 179.25 180.98 2dx0 h GLU 626 N 0.00 0.76 -0.20 0.00 4.81 -1.90 -3.19 114.58 114.85 2dx0 h GLU 626 Ca 0.07 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 2dx0 h GLU 626 Cb 0.57 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.83 2dx0 h GLU 626 CO -0.00 0.69 0.00 1.19 -0.73 0.00 0.00 179.01 180.16 2dx0 n PHE 627 N -4.28 0.29 -2.95 0.92 3.01 -0.24 -4.74 117.46 109.46 2dx0 n PHE 627 Ca 0.03 -0.52 -0.43 0.00 1.01 0.00 0.00 57.45 57.54 2dx0 n PHE 627 Cb 0.22 -0.05 0.01 0.00 -0.01 0.00 0.00 39.48 39.65 2dx0 n PHE 627 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 2dx0 n GLU 628 N 0.04 4.17 -4.68 -1.08 1.02 -0.75 -4.95 120.64 114.41 2dx0 n GLU 628 Ca 0.08 -4.36 -0.31 0.00 -0.02 0.00 0.00 57.16 52.55 2dx0 n GLU 628 Cb 0.38 -2.60 -0.08 0.00 -0.02 0.00 0.00 31.44 29.12 2dx0 n GLU 628 CO 0.00 0.00 0.00 -0.48 1.18 0.00 0.00 177.13 177.83 2dx0 s LEU 629 N -2.00 2.20 -0.06 -4.62 2.34 -1.26 -4.94 118.68 110.35 2dx0 s LEU 629 Ca 0.33 -1.66 -0.11 0.00 0.06 0.00 0.00 54.13 52.75 2dx0 s LEU 629 Cb 0.03 -0.53 -0.05 0.00 -0.56 0.00 0.00 46.19 45.08 2dx0 s LEU 629 CO 0.06 -0.88 0.27 -0.13 -1.06 0.00 0.00 176.35 174.62 2dx0 s ARG 630 N -3.82 3.68 0.56 1.48 0.52 -1.26 -5.07 118.95 115.03 2dx0 s ARG 630 Ca 0.12 0.14 -0.19 0.00 -0.52 0.00 0.00 55.73 55.27 2dx0 s ARG 630 Cb 0.02 -3.20 -0.05 0.00 0.52 0.00 0.00 34.95 32.24 2dx0 s ARG 630 CO 0.07 0.73 1.16 -0.51 0.02 0.00 0.00 175.30 176.78 2dx0 s LEU 631 N -1.07 3.74 0.00 2.53 1.43 -1.26 -5.00 118.68 119.04 2dx0 s LEU 631 Ca 0.20 2.27 0.00 0.00 -1.03 0.00 0.00 54.13 55.57 2dx0 s LEU 631 Cb -0.14 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.51 2dx0 s LEU 631 CO 0.09 -1.34 0.00 0.35 0.23 0.00 0.00 176.35 175.68 2dx0 n THR 632 N -1.35 0.00 -2.90 5.49 -2.24 -1.26 -5.12 114.28 106.89 2dx0 n THR 632 Ca 0.12 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.57 2dx0 n THR 632 Cb 0.50 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.66 2dx0 n THR 632 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2dx0 s ASP 633 N 1.00 6.94 0.33 3.42 -0.00 -1.26 -5.06 116.67 122.04 2dx0 s ASP 633 Ca 0.00 1.60 -0.06 0.00 -0.00 0.00 0.00 52.55 54.09 2dx0 s ASP 633 Cb 0.00 -2.50 -0.05 0.00 -0.00 0.00 0.00 42.92 40.37 2dx0 s ASP 633 CO 0.00 -0.28 0.62 -2.16 -0.00 0.00 0.00 175.17 173.35 2dx0 s PRO 634 N -2.99 3.65 -0.19 8.23 0.04 -1.26 -5.04 135.00 137.44 2dx0 s PRO 634 Ca 0.58 0.10 -0.22 0.00 0.04 0.00 0.00 61.00 61.51 2dx0 s PRO 634 Cb -0.10 -2.57 -0.02 0.00 0.04 0.00 0.00 34.50 31.84 2dx0 s PRO 634 CO 0.15 0.12 0.66 0.08 0.04 0.00 0.00 177.00 178.06 2dx0 s VAL 635 N -2.22 5.00 0.00 -0.36 1.01 -1.26 -5.02 120.40 117.55 2dx0 s VAL 635 Ca 0.46 1.27 0.00 0.00 0.00 0.00 0.00 61.98 63.70 2dx0 s VAL 635 Cb -0.10 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.30 2dx0 s VAL 635 CO 0.32 0.10 0.70 -0.81 0.00 0.00 0.00 175.10 175.41 2dx0 n PRO 636 N 5.03 0.00 -4.30 2.72 -0.04 -1.26 -4.90 135.00 132.25 2dx0 n PRO 636 Ca -0.00 0.51 -0.20 0.00 -0.04 0.00 0.00 63.50 63.77 2dx0 n PRO 636 Cb 0.50 -1.20 -0.11 0.00 -0.04 0.00 0.00 33.50 32.64 2dx0 n PRO 636 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2dx0 s ASN 637 N -2.62 2.42 0.00 3.54 4.22 -1.26 -5.35 114.94 115.89 2dx0 s ASN 637 Ca 0.00 -0.87 0.07 0.00 -2.14 0.00 0.00 52.86 49.92 2dx0 s ASN 637 Cb 0.00 -0.12 0.43 0.00 1.28 0.00 0.00 41.25 42.83 2dx0 s ASN 637 CO 0.00 -0.09 0.88 -0.81 -2.04 0.00 0.00 177.10 175.04