#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ddj s PHE 546 N 0.00 2.65 0.54 0.66 0.40 -1.26 -5.11 117.98 115.86 1ddj s PHE 546 Ca 0.00 -0.81 -0.21 0.00 -0.60 0.00 0.00 56.93 55.31 1ddj s PHE 546 Cb 0.00 -1.75 -0.05 0.00 0.51 0.00 0.00 43.02 41.73 1ddj s PHE 546 CO 0.00 -0.28 1.28 -0.51 0.70 0.00 0.00 175.22 176.41 1ddj s ASP 547 N 0.24 5.46 0.77 1.36 1.11 -1.26 -4.86 116.67 119.47 1ddj s ASP 547 Ca -0.13 2.58 -0.12 0.00 0.18 0.00 0.00 52.55 55.06 1ddj s ASP 547 Cb -0.16 -2.62 0.06 0.00 1.07 0.00 0.00 42.92 41.26 1ddj s ASP 547 CO 0.07 -1.43 1.13 0.00 1.18 0.00 0.00 175.17 176.12 1ddj n GLY 549 N -0.38 1.14 2.90 0.00 0.00 -0.37 -4.73 105.19 103.76 1ddj n GLY 549 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1ddj n GLY 549 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ddj s LYS 550 N -2.95 1.64 0.63 1.61 1.02 -1.25 0.21 119.74 120.65 1ddj s LYS 550 Ca 0.00 -2.22 -0.18 0.00 0.02 0.00 0.00 55.97 53.59 1ddj s LYS 550 Cb 0.00 -3.01 -0.02 0.00 -0.52 0.00 0.00 37.83 34.28 1ddj s LYS 550 CO 0.00 -1.07 1.22 -1.25 -0.92 0.00 0.00 175.35 173.33 1ddj s PRO 551 N 0.25 2.77 0.00 -1.68 0.04 -1.26 -4.90 135.00 130.21 1ddj s PRO 551 Ca 0.15 1.84 0.25 0.00 0.04 0.00 0.00 61.00 63.28 1ddj s PRO 551 Cb -0.23 -1.90 0.57 0.00 0.04 0.00 0.00 34.50 32.97 1ddj s PRO 551 CO -0.04 -1.37 1.45 1.04 0.04 0.00 0.00 177.00 178.13 1ddj n GLN 552 N -1.85 1.04 -4.62 4.56 1.13 -1.26 -4.75 117.38 111.64 1ddj n GLN 552 Ca 0.14 -0.70 -0.30 0.00 -1.94 0.00 0.00 57.00 54.20 1ddj n GLN 552 Cb 0.50 -1.49 -0.17 0.00 0.11 0.00 0.00 30.24 29.19 1ddj n GLN 552 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1ddj s VAL 553 N -2.44 1.72 0.02 5.09 1.01 -1.26 -5.08 120.40 119.45 1ddj s VAL 553 Ca 0.24 -0.78 -0.30 0.00 0.00 0.00 0.00 61.98 61.14 1ddj s VAL 553 Cb 0.19 -1.54 -0.08 0.00 0.00 0.00 0.00 36.38 34.95 1ddj s VAL 553 CO 0.51 0.48 1.80 -1.61 0.00 0.00 0.00 175.10 176.28 1ddj s GLU 554 N 0.84 4.16 0.45 2.72 0.41 -1.26 -4.45 118.70 121.58 1ddj s GLU 554 Ca -0.09 2.42 -0.25 0.00 -0.41 0.00 0.00 54.97 56.65 1ddj s GLU 554 Cb -0.15 -3.96 -0.09 0.00 -1.78 0.00 0.00 34.13 28.15 1ddj s GLU 554 CO -0.00 -0.87 1.32 -2.30 -0.49 0.00 0.00 175.26 172.92 1ddj n PRO 555 N 6.91 1.97 -0.21 0.39 -0.02 -1.26 -4.88 135.00 137.89 1ddj n PRO 555 Ca 0.18 0.70 -0.05 0.00 -2.02 0.00 0.00 63.50 62.31 1ddj n PRO 555 Cb 0.41 -2.47 0.11 0.00 -0.02 0.00 0.00 33.50 31.53 1ddj n PRO 555 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1ddj h LYS 556 N 2.02 1.02 -5.34 -0.52 3.64 -1.92 -3.48 116.57 111.99 1ddj h LYS 556 Ca -0.49 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 58.67 1ddj h LYS 556 Cb 1.29 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 1ddj h LYS 556 CO 0.60 0.89 -0.01 1.63 -2.27 0.00 0.00 179.45 180.28 1ddj n LYS 557 N -4.25 -1.33 -1.65 1.90 5.02 -1.26 -4.87 118.16 111.72 1ddj n LYS 557 Ca 0.05 1.51 -0.47 0.00 -2.02 0.00 0.00 58.31 57.38 1ddj n LYS 557 Cb 0.24 -5.72 -0.04 0.00 -0.02 0.00 0.00 35.03 29.49 1ddj n LYS 557 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ddj s PRO 559 N 0.23 4.11 0.51 0.00 0.02 -1.26 -4.09 135.00 134.53 1ddj s PRO 559 Ca 0.75 2.59 0.23 0.00 0.02 0.00 0.00 61.00 64.59 1ddj s PRO 559 Cb -0.73 -3.01 1.33 0.00 0.02 0.00 0.00 34.50 32.11 1ddj s PRO 559 CO 0.45 -0.63 2.00 0.78 -0.33 0.00 0.00 177.00 179.27 1ddj h GLY 560 N 4.65 0.10 1.21 0.52 0.00 -1.90 0.12 103.07 107.77 1ddj h GLY 560 Ca -0.47 -0.03 0.05 0.00 0.00 0.00 0.00 47.33 46.88 1ddj h GLY 560 CO 0.78 0.01 0.40 0.07 0.00 0.00 0.00 176.54 177.80 1ddj h ARG 561 N 0.06 0.59 -5.80 4.80 0.11 -1.90 -3.23 114.38 109.02 1ddj h ARG 561 Ca 0.24 -0.04 -0.66 0.00 0.10 0.00 0.00 59.98 59.63 1ddj h ARG 561 Cb 0.89 -0.13 -0.08 0.00 1.11 0.00 0.00 29.97 31.76 1ddj h ARG 561 CO -0.02 0.39 2.16 0.28 0.10 0.00 0.00 179.97 182.89 1ddj n VAL 562 N -4.47 3.82 0.37 0.08 0.31 0.42 -4.75 118.33 114.11 1ddj n VAL 562 Ca 0.08 -3.96 0.04 0.00 -0.01 0.00 0.00 64.34 60.49 1ddj n VAL 562 Cb 0.21 -2.34 0.20 0.00 -0.91 0.00 0.00 33.84 30.99 1ddj n VAL 562 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1ddj n VAL 563 N 6.46 0.80 0.13 2.52 0.24 -1.22 -1.79 118.33 125.46 1ddj n VAL 563 Ca 0.49 0.20 0.12 0.00 -2.04 0.00 0.00 64.34 63.10 1ddj n VAL 563 Cb 0.46 -1.07 0.02 0.00 -1.47 0.00 0.00 33.84 31.78 1ddj n VAL 563 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 1ddj h GLY 564 N 1.27 0.00 0.00 7.63 0.00 -1.91 -3.45 103.07 106.61 1ddj h GLY 564 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ddj h GLY 564 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1ddj n GLY 565 N 1.17 1.04 3.14 4.60 0.00 -0.74 -5.00 105.19 109.40 1ddj n GLY 565 Ca 0.01 -2.03 -0.09 0.00 0.00 0.00 0.00 46.02 43.90 1ddj n GLY 565 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ddj s VAL 567 N -3.96 4.86 0.70 0.00 1.01 -1.26 0.20 120.40 121.95 1ddj s VAL 567 Ca 0.19 2.01 -0.14 0.00 0.00 0.00 0.00 61.98 64.05 1ddj s VAL 567 Cb 0.07 -4.30 0.02 0.00 0.00 0.00 0.00 36.38 32.18 1ddj s VAL 567 CO -0.01 0.12 1.11 0.00 0.00 0.00 0.00 175.10 176.32 1ddj s ALA 568 N 1.27 2.36 -0.02 5.51 0.00 0.97 -4.83 121.76 127.02 1ddj s ALA 568 Ca 0.50 0.49 -0.30 0.00 0.00 0.00 0.00 51.96 52.65 1ddj s ALA 568 Cb -0.20 -3.32 -0.03 0.00 0.00 0.00 0.00 23.12 19.57 1ddj s ALA 568 CO 0.25 -1.50 1.04 -1.01 0.00 0.00 0.00 175.76 174.54 1ddj s HIS 569 N -2.49 3.55 0.09 0.00 3.76 -1.26 -4.89 115.29 114.04 1ddj s HIS 569 Ca 0.66 1.57 -0.37 0.00 -0.15 0.00 0.00 55.06 56.77 1ddj s HIS 569 Cb -0.20 -3.21 -0.17 0.00 1.11 0.00 0.00 32.58 30.11 1ddj s HIS 569 CO 0.46 -0.39 1.27 -2.30 -0.85 0.00 0.00 174.74 172.93 1ddj n PRO 570 N 4.24 0.96 -2.09 8.40 -0.02 -1.26 -2.35 135.00 142.88 1ddj n PRO 570 Ca 0.07 0.35 -0.17 0.00 -2.02 0.00 0.00 63.50 61.73 1ddj n PRO 570 Cb 0.49 -1.94 -0.03 0.00 -0.02 0.00 0.00 33.50 32.01 1ddj n PRO 570 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1ddj n HIS 571 N 2.20 -0.58 1.04 6.00 8.25 -1.26 -4.87 115.22 125.99 1ddj n HIS 571 Ca 0.18 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.76 1ddj n HIS 571 Cb 0.18 -3.27 0.14 0.00 1.12 0.00 0.00 29.99 28.16 1ddj n HIS 571 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1ddj n SER 572 N -1.09 0.84 -3.15 0.41 3.41 -0.99 -4.17 113.62 108.88 1ddj n SER 572 Ca -0.19 -0.66 -0.24 0.00 -0.26 0.00 0.00 58.87 57.52 1ddj n SER 572 Cb 0.63 0.47 -0.05 0.00 -0.26 0.00 0.00 64.21 64.99 1ddj n SER 572 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1ddj n TRP 573 N -1.26 2.34 0.31 7.33 5.03 -1.26 -4.69 117.44 125.23 1ddj n TRP 573 Ca 0.06 -3.92 0.19 0.00 3.03 0.00 0.00 57.50 56.86 1ddj n TRP 573 Cb 0.35 -0.47 1.01 0.00 -1.03 0.00 0.00 31.31 31.16 1ddj n TRP 573 CO 0.00 0.00 0.00 -1.00 -0.03 0.00 0.00 177.69 176.66 1ddj h PRO 574 N 3.40 0.00 -0.01 -0.99 0.13 -1.78 -1.03 132.00 131.71 1ddj h PRO 574 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1ddj h PRO 574 Cb 0.71 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.84 1ddj h PRO 574 CO 0.69 0.00 0.00 -2.67 -0.23 0.00 0.00 178.00 175.79 1ddj n TRP 575 N -3.16 0.00 -2.12 1.56 2.14 -0.76 -2.55 117.44 112.55 1ddj n TRP 575 Ca -0.02 -0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.13 1ddj n TRP 575 Cb 0.23 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.70 1ddj n TRP 575 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1ddj s GLN 576 N -2.00 4.29 0.05 -2.67 2.00 -0.39 -1.07 119.66 119.87 1ddj s GLN 576 Ca 0.40 2.13 0.06 0.00 -2.00 0.00 0.00 55.36 55.95 1ddj s GLN 576 Cb 0.21 -3.31 -0.03 0.00 0.80 0.00 0.00 33.01 30.68 1ddj s GLN 576 CO 0.34 -0.51 -0.13 0.08 -0.50 0.00 0.00 175.29 174.57 1ddj s VAL 577 N 1.43 3.16 -0.20 1.34 1.01 -0.81 -4.24 120.40 122.09 1ddj s VAL 577 Ca 0.66 -1.11 -0.01 0.00 0.00 0.00 0.00 61.98 61.52 1ddj s VAL 577 Cb -0.37 -2.38 0.00 0.00 0.00 0.00 0.00 36.38 33.63 1ddj s VAL 577 CO 0.30 0.29 -0.12 -0.55 0.00 0.00 0.00 175.10 175.02 1ddj s SER 578 N -1.64 3.77 -0.08 3.32 0.15 -0.85 -2.65 113.70 115.72 1ddj s SER 578 Ca 0.17 -0.50 -0.22 0.00 0.70 0.00 0.00 55.95 56.09 1ddj s SER 578 Cb -0.11 -1.62 -0.04 0.00 -1.71 0.00 0.00 66.02 62.55 1ddj s SER 578 CO 0.08 0.00 0.66 -0.76 1.20 0.00 0.00 173.24 174.42 1ddj s LEU 579 N 1.32 4.30 0.15 3.45 1.43 0.10 -1.38 118.68 128.06 1ddj s LEU 579 Ca 0.04 1.11 0.09 0.00 -1.03 0.00 0.00 54.13 54.34 1ddj s LEU 579 Cb -0.14 -3.01 -0.04 0.00 0.03 0.00 0.00 46.19 43.03 1ddj s LEU 579 CO -0.07 -0.10 -0.21 -0.13 0.23 0.00 0.00 176.35 176.07 1ddj s ARG 580 N 0.82 1.29 1.03 1.70 0.52 -0.32 -1.30 118.95 122.70 1ddj s ARG 580 Ca 0.35 -1.36 -0.15 0.00 -0.52 0.00 0.00 55.73 54.05 1ddj s ARG 580 Cb -0.17 -1.49 0.20 0.00 0.52 0.00 0.00 34.95 34.02 1ddj s ARG 580 CO 0.16 0.32 1.14 0.95 0.02 0.00 0.00 175.30 177.89 1ddj s THR 581 N -1.67 1.88 -1.56 0.02 -4.23 -0.21 -1.61 115.64 108.26 1ddj s THR 581 Ca 0.14 0.00 0.11 0.00 -1.18 0.00 0.00 61.69 60.76 1ddj s THR 581 Cb -0.08 -2.63 0.21 0.00 1.34 0.00 0.00 72.50 71.35 1ddj s THR 581 CO 0.07 0.00 1.20 -2.11 -0.54 0.00 0.00 174.62 173.23 1ddj n ARG 582 N -4.19 0.19 -0.48 3.99 1.85 -1.17 -1.80 116.66 115.06 1ddj n ARG 582 Ca 0.09 0.14 0.08 0.00 -1.00 0.00 0.00 57.85 57.16 1ddj n ARG 582 Cb 0.59 -1.50 0.27 0.00 -1.05 0.00 0.00 32.46 30.77 1ddj n ARG 582 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1ddj n PHE 583 N -1.22 1.09 -0.98 2.89 3.72 -1.26 -4.96 117.46 116.74 1ddj n PHE 583 Ca 0.06 -0.76 0.00 0.00 -0.05 0.00 0.00 57.45 56.70 1ddj n PHE 583 Cb 0.07 -0.28 0.00 0.00 -0.94 0.00 0.00 39.48 38.33 1ddj n PHE 583 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ddj n GLY 584 N 0.03 0.45 3.68 1.37 0.00 -0.74 -5.01 105.19 104.97 1ddj n GLY 584 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 1ddj n GLY 584 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ddj s MET 585 N -0.39 4.37 0.12 1.61 0.00 -1.26 -4.79 119.30 118.95 1ddj s MET 585 Ca 0.00 1.21 -0.30 0.00 0.00 0.00 0.00 55.69 56.60 1ddj s MET 585 Cb 0.00 -3.55 -0.07 0.00 0.00 0.00 0.00 34.83 31.21 1ddj s MET 585 CO 0.00 -0.32 1.18 -1.58 0.00 0.00 0.00 175.02 174.30 1ddj s HIS 586 N 2.06 3.46 0.00 4.11 2.46 -1.26 -1.04 115.29 125.08 1ddj s HIS 586 Ca 0.44 1.39 0.00 0.00 0.47 0.00 0.00 55.06 57.35 1ddj s HIS 586 Cb -0.17 -3.40 0.00 0.00 -0.13 0.00 0.00 32.58 28.88 1ddj s HIS 586 CO 0.15 -1.14 0.00 1.97 -2.47 0.00 0.00 174.74 173.25 1ddj n PHE 587 N 3.26 0.00 -3.94 3.88 1.16 -0.42 -4.96 117.46 116.45 1ddj n PHE 587 Ca 0.07 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.55 1ddj n PHE 587 Cb 0.46 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.27 1ddj n PHE 587 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1ddj n GLY 589 N -0.31 3.00 3.99 0.00 0.00 0.46 0.02 105.19 112.35 1ddj n GLY 589 Ca -0.05 -2.31 0.03 0.00 0.00 0.00 0.00 46.02 43.68 1ddj n GLY 589 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ddj s GLY 590 N -3.96 -0.15 -0.03 -0.02 0.00 -1.09 -3.89 107.32 98.19 1ddj s GLY 590 Ca 0.21 0.07 0.01 0.00 0.00 0.00 0.00 44.72 45.00 1ddj s GLY 590 CO 0.13 5.71 -0.02 -1.59 0.00 0.00 0.00 173.10 177.34 1ddj s THR 591 N -2.03 0.31 -0.14 0.90 2.01 0.29 -1.93 115.64 115.06 1ddj s THR 591 Ca 0.30 -0.01 -0.29 0.00 0.31 0.00 0.00 61.69 61.99 1ddj s THR 591 Cb -0.00 -0.37 -0.01 0.00 0.01 0.00 0.00 72.50 72.12 1ddj s THR 591 CO -0.01 0.17 1.08 -0.22 -0.69 0.00 0.00 174.62 174.95 1ddj s LEU 592 N 0.89 4.21 -0.00 4.42 2.96 -0.23 -0.19 118.68 130.73 1ddj s LEU 592 Ca -0.10 1.56 0.09 0.00 -0.22 0.00 0.00 54.13 55.47 1ddj s LEU 592 Cb -0.13 -3.55 -0.10 0.00 0.50 0.00 0.00 46.19 42.90 1ddj s LEU 592 CO -0.01 -0.57 0.40 2.30 -1.32 0.00 0.00 176.35 177.16 1ddj n ILE 593 N 4.86 0.00 -3.58 6.68 -5.35 -0.16 -0.47 119.36 121.34 1ddj n ILE 593 Ca 0.11 -0.27 -0.06 0.00 -0.27 0.00 0.00 62.75 62.25 1ddj n ILE 593 Cb 0.47 1.00 -0.02 0.00 -1.74 0.00 0.00 39.64 39.35 1ddj n ILE 593 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1ddj s SER 594 N -1.91 -0.27 0.43 7.28 1.04 -1.16 -4.72 113.70 114.39 1ddj s SER 594 Ca 0.04 -0.09 0.23 0.00 0.48 0.00 0.00 55.95 56.60 1ddj s SER 594 Cb 0.07 0.36 1.23 0.00 0.10 0.00 0.00 66.02 67.77 1ddj s SER 594 CO 0.39 -0.60 1.76 -0.65 0.98 0.00 0.00 173.24 175.13 1ddj h PRO 595 N 2.00 0.27 -0.17 4.02 0.11 -1.96 -2.13 132.00 134.14 1ddj h PRO 595 Ca -0.21 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1ddj h PRO 595 Cb 1.23 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1ddj h PRO 595 CO 0.28 0.18 0.00 0.39 -0.21 0.00 0.00 178.00 178.64 1ddj n GLU 596 N -4.54 1.66 -4.35 1.05 1.02 -1.26 -0.23 120.64 113.98 1ddj n GLU 596 Ca 0.26 -1.66 -0.21 0.00 -0.02 0.00 0.00 57.16 55.53 1ddj n GLU 596 Cb 1.00 -1.30 -0.16 0.00 -0.02 0.00 0.00 31.44 30.96 1ddj n GLU 596 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1ddj s TRP 597 N -1.13 0.96 -0.07 -0.32 0.52 -0.80 -1.01 118.94 117.10 1ddj s TRP 597 Ca 0.21 -0.27 0.05 0.00 0.02 0.00 0.00 56.10 56.11 1ddj s TRP 597 Cb 0.13 -0.73 -0.01 0.00 -1.15 0.00 0.00 33.47 31.71 1ddj s TRP 597 CO 0.19 -0.16 -0.24 0.08 0.02 0.00 0.00 176.95 176.84 1ddj s VAL 598 N 0.50 1.98 -0.21 4.03 1.01 -0.64 -0.99 120.40 126.08 1ddj s VAL 598 Ca -0.08 -1.01 -0.09 0.00 0.00 0.00 0.00 61.98 60.80 1ddj s VAL 598 Cb -0.12 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 1ddj s VAL 598 CO 0.01 0.55 0.10 -0.22 0.00 0.00 0.00 175.10 175.54 1ddj s LEU 599 N -0.01 3.92 0.00 3.92 2.96 0.74 -0.45 118.68 129.76 1ddj s LEU 599 Ca -0.07 0.08 0.00 0.00 -0.22 0.00 0.00 54.13 53.92 1ddj s LEU 599 Cb -0.15 -2.02 0.00 0.00 0.50 0.00 0.00 46.19 44.52 1ddj s LEU 599 CO 0.05 0.12 0.00 1.07 -1.32 0.00 0.00 176.35 176.27 1ddj n THR 600 N 3.91 0.00 -4.03 3.68 5.66 -0.07 -0.54 114.28 122.89 1ddj n THR 600 Ca -0.16 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.49 1ddj n THR 600 Cb 0.52 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.21 1ddj n THR 600 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ddj s ALA 601 N -1.98 3.42 0.62 1.79 0.00 -1.26 -0.94 121.76 123.41 1ddj s ALA 601 Ca 0.00 -0.74 0.29 0.00 0.00 0.00 0.00 51.96 51.51 1ddj s ALA 601 Cb 0.00 -1.88 1.54 0.00 0.00 0.00 0.00 23.12 22.78 1ddj s ALA 601 CO 0.00 0.25 1.92 0.00 0.00 0.00 0.00 175.76 177.93 1ddj h ALA 602 N 6.44 1.85 -0.09 0.00 0.00 -1.74 0.16 119.26 125.88 1ddj h ALA 602 Ca -0.39 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.39 1ddj h ALA 602 Cb 1.17 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1ddj h ALA 602 CO 0.68 -0.54 -0.46 1.25 0.00 0.00 0.00 179.25 180.18 1ddj h HIS 603 N 0.00 0.25 0.00 0.00 -0.00 -1.92 -2.58 115.15 110.90 1ddj h HIS 603 Ca 0.13 -0.07 -0.01 0.00 -0.00 0.00 0.00 60.37 60.41 1ddj h HIS 603 Cb 0.93 -0.05 -0.00 0.00 -0.00 0.00 0.00 27.41 28.29 1ddj h HIS 603 CO 0.00 0.63 -0.05 0.00 -0.00 0.00 0.00 177.93 178.51 1ddj n LEU 605 N -4.39 5.54 0.09 0.00 4.77 -0.98 -4.58 117.00 117.45 1ddj n LEU 605 Ca -0.03 -3.19 -0.06 0.00 -0.03 0.00 0.00 56.01 52.71 1ddj n LEU 605 Cb 0.13 -0.70 0.09 0.00 -2.33 0.00 0.00 43.42 40.62 1ddj n LEU 605 CO 0.34 0.79 0.42 -0.33 -1.33 0.00 0.00 177.39 177.28 1ddj h GLU 606 N 2.63 0.19 0.00 3.23 5.08 -1.38 -3.26 114.58 121.08 1ddj h GLU 606 Ca 0.18 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1ddj h GLU 606 Cb 2.09 0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.37 1ddj h GLU 606 CO 0.59 0.80 0.00 1.63 -1.00 0.00 0.00 179.01 181.03 1ddj n LYS 607 N -3.80 0.09 -3.55 2.33 4.01 -1.26 -4.80 118.16 111.17 1ddj n LYS 607 Ca -0.02 0.16 -0.01 0.00 -0.51 0.00 0.00 58.31 57.92 1ddj n LYS 607 Cb 0.67 -1.62 -0.05 0.00 -0.51 0.00 0.00 35.03 33.52 1ddj n LYS 607 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1ddj s SER 608 N -3.51 -0.70 0.00 4.39 0.15 -1.23 -5.02 113.70 107.78 1ddj s SER 608 Ca 0.10 1.03 0.31 0.00 0.70 0.00 0.00 55.95 58.09 1ddj s SER 608 Cb 0.14 1.60 1.65 0.00 -1.71 0.00 0.00 66.02 67.70 1ddj s SER 608 CO 0.47 -0.15 2.10 -0.81 1.20 0.00 0.00 173.24 176.05 1ddj n PRO 609 N 4.58 0.76 -2.96 5.44 -0.04 -1.26 -4.81 135.00 136.71 1ddj n PRO 609 Ca -0.14 -0.06 -0.41 0.00 -0.04 0.00 0.00 63.50 62.85 1ddj n PRO 609 Cb 0.54 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.46 1ddj n PRO 609 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1ddj s ARG 610 N -2.28 4.19 0.47 0.54 1.81 -1.26 -4.85 118.95 117.58 1ddj s ARG 610 Ca 0.38 0.85 0.32 0.00 -1.72 0.00 0.00 55.73 55.56 1ddj s ARG 610 Cb 0.21 -3.63 1.65 0.00 -0.45 0.00 0.00 34.95 32.74 1ddj s ARG 610 CO 0.42 -0.43 1.98 -1.35 -0.68 0.00 0.00 175.30 175.23 1ddj h PRO 611 N 7.63 0.00 0.00 3.54 0.11 -1.86 -0.48 132.00 140.94 1ddj h PRO 611 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1ddj h PRO 611 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1ddj h PRO 611 CO 0.84 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.50 1ddj n SER 612 N -2.67 0.00 -0.44 -2.05 3.41 -1.26 -2.45 113.62 108.15 1ddj n SER 612 Ca -0.01 -0.76 0.12 0.00 -0.26 0.00 0.00 58.87 57.95 1ddj n SER 612 Cb 0.11 -0.04 0.11 0.00 -0.26 0.00 0.00 64.21 64.13 1ddj n SER 612 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1ddj n SER 613 N -1.04 1.77 -4.22 4.04 7.64 -0.19 -4.82 113.62 116.80 1ddj n SER 613 Ca 0.20 -1.36 -0.27 0.00 1.01 0.00 0.00 58.87 58.45 1ddj n SER 613 Cb 0.11 0.37 -0.16 0.00 -1.01 0.00 0.00 64.21 63.52 1ddj n SER 613 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1ddj s TYR 614 N -2.47 1.84 0.18 1.43 1.51 -1.03 -3.04 117.35 115.76 1ddj s TYR 614 Ca 0.21 -0.35 0.08 0.00 -1.01 0.00 0.00 57.07 55.99 1ddj s TYR 614 Cb 0.18 -1.18 -0.04 0.00 -0.11 0.00 0.00 41.96 40.81 1ddj s TYR 614 CO 0.55 -0.03 -0.15 0.15 -1.11 0.00 0.00 175.55 174.95 1ddj s LYS 615 N -0.48 1.26 -0.08 -0.62 1.02 -0.64 -2.94 119.74 117.27 1ddj s LYS 615 Ca 0.08 -1.48 0.02 0.00 0.02 0.00 0.00 55.97 54.61 1ddj s LYS 615 Cb -0.08 -1.13 0.01 0.00 -0.52 0.00 0.00 37.83 36.11 1ddj s LYS 615 CO -0.01 0.20 -0.13 0.08 -0.92 0.00 0.00 175.35 174.58 1ddj s VAL 616 N -2.58 1.22 -0.21 3.17 1.01 0.32 -1.17 120.40 122.15 1ddj s VAL 616 Ca 0.18 -0.51 -0.07 0.00 0.00 0.00 0.00 61.98 61.58 1ddj s VAL 616 Cb -0.03 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.20 1ddj s VAL 616 CO 0.06 0.38 0.05 -0.63 0.00 0.00 0.00 175.10 174.96 1ddj s ILE 617 N 0.79 4.39 0.04 2.22 1.09 -0.48 -0.81 121.20 128.45 1ddj s ILE 617 Ca -0.12 -0.16 0.09 0.00 -1.10 0.00 0.00 60.65 59.36 1ddj s ILE 617 Cb -0.15 -3.01 -0.03 0.00 -1.06 0.00 0.00 42.46 38.21 1ddj s ILE 617 CO 0.02 0.40 -0.26 -0.76 -0.10 0.00 0.00 174.94 174.24 1ddj s LEU 618 N 1.05 2.18 0.00 2.97 1.43 0.76 -2.00 118.68 125.07 1ddj s LEU 618 Ca 0.04 -0.58 0.00 0.00 -1.03 0.00 0.00 54.13 52.55 1ddj s LEU 618 Cb -0.14 -1.30 0.00 0.00 0.03 0.00 0.00 46.19 44.78 1ddj s LEU 618 CO 0.03 0.26 0.00 0.61 0.23 0.00 0.00 176.35 177.48 1ddj n GLY 619 N 1.79 0.48 3.92 -3.19 0.00 -1.26 -1.42 105.19 105.51 1ddj n GLY 619 Ca -0.17 -0.46 -0.27 0.00 0.00 0.00 0.00 46.02 45.13 1ddj n GLY 619 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ddj s ALA 620 N -2.00 3.56 0.00 4.61 0.00 -1.26 -4.73 121.76 121.94 1ddj s ALA 620 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.31 1ddj s ALA 620 Cb 0.00 -2.35 0.00 0.00 0.00 0.00 0.00 23.12 20.77 1ddj s ALA 620 CO 0.00 -0.07 0.00 1.58 0.00 0.00 0.00 175.76 177.27 1ddj n HIS 621 N -1.71 0.00 -2.98 0.00 -0.00 -1.26 -4.75 115.22 104.51 1ddj n HIS 621 Ca -0.02 0.00 -0.33 0.00 0.46 0.00 0.00 57.72 57.83 1ddj n HIS 621 Cb 0.55 0.04 -0.07 0.00 -0.12 0.00 0.00 29.99 30.40 1ddj n HIS 621 CO 0.00 0.00 0.00 -0.65 0.46 0.00 0.00 176.34 176.15 1ddj s GLN 622 N -1.74 4.12 -0.06 1.57 -1.52 -1.26 -0.83 119.66 119.94 1ddj s GLN 622 Ca 0.00 0.89 0.01 0.00 -1.95 0.00 0.00 55.36 54.31 1ddj s GLN 622 Cb 0.00 -2.32 -0.25 0.00 -0.22 0.00 0.00 33.01 30.22 1ddj s GLN 622 CO 0.00 0.07 0.59 1.49 -0.25 0.00 0.00 175.29 177.19 1ddj h GLU 623 N 2.11 0.16 0.00 2.91 4.81 0.16 -3.43 114.58 121.30 1ddj h GLU 623 Ca -0.48 -0.28 -0.11 0.00 -0.13 0.00 0.00 59.36 58.36 1ddj h GLU 623 Cb 1.18 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.65 1ddj h GLU 623 CO 0.63 0.93 -1.36 0.28 -0.73 0.00 0.00 179.01 178.76 1ddj n VAL 624 N -3.32 0.35 -2.06 0.32 0.31 -1.26 -4.78 118.33 107.90 1ddj n VAL 624 Ca -0.23 -0.10 -0.42 0.00 -0.01 0.00 0.00 64.34 63.58 1ddj n VAL 624 Cb 1.05 -1.37 0.00 0.00 -0.91 0.00 0.00 33.84 32.61 1ddj n VAL 624 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1ddj n ASN 625 N -3.14 4.81 -4.75 4.52 5.03 -1.26 -4.97 115.26 115.50 1ddj n ASN 625 Ca -0.12 -2.99 -0.41 0.00 0.87 0.00 0.00 54.58 51.92 1ddj n ASN 625 Cb 0.60 -1.55 -0.02 0.00 -1.02 0.00 0.00 39.78 37.79 1ddj n ASN 625 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1ddj s LEU 626 N 0.71 4.35 0.69 3.41 1.43 -1.26 -4.72 118.68 123.28 1ddj s LEU 626 Ca 0.44 2.90 -0.13 0.00 -1.03 0.00 0.00 54.13 56.31 1ddj s LEU 626 Cb 0.12 -3.63 0.01 0.00 0.03 0.00 0.00 46.19 42.72 1ddj s LEU 626 CO -0.04 -0.88 1.10 -0.70 0.23 0.00 0.00 176.35 176.06 1ddj s GLU 627 N -0.51 2.70 0.01 1.70 2.12 -1.26 -4.96 118.70 118.50 1ddj s GLU 627 Ca 0.62 1.28 -0.02 0.00 0.36 0.00 0.00 54.97 57.21 1ddj s GLU 627 Cb -0.47 -1.95 -0.00 0.00 0.26 0.00 0.00 34.13 31.97 1ddj s GLU 627 CO 0.47 -1.31 1.03 -1.35 -0.54 0.00 0.00 175.26 173.56 1ddj h PRO 628 N -0.33 -0.01 -0.47 4.30 0.11 -2.00 -2.25 132.00 131.36 1ddj h PRO 628 Ca -0.46 0.00 0.14 0.00 0.11 0.00 0.00 66.00 65.79 1ddj h PRO 628 Cb 1.24 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 1ddj h PRO 628 CO 0.54 -0.01 0.96 1.12 -0.21 0.00 0.00 178.00 180.40 1ddj h HIS 629 N -0.01 0.00 -2.15 0.65 2.07 -1.96 -3.43 115.15 110.32 1ddj h HIS 629 Ca 0.01 0.00 -0.63 0.00 -2.85 0.00 0.00 60.37 56.90 1ddj h HIS 629 Cb 0.02 0.00 0.10 0.00 2.57 0.00 0.00 27.41 30.10 1ddj h HIS 629 CO -0.78 0.00 0.10 0.28 -3.07 0.00 0.00 177.93 174.45 1ddj n VAL 630 N -2.98 1.66 -4.38 6.12 0.31 -0.85 -4.97 118.33 113.25 1ddj n VAL 630 Ca 0.10 -0.42 -0.34 0.00 -0.01 0.00 0.00 64.34 63.68 1ddj n VAL 630 Cb 1.11 -0.84 -0.11 0.00 -0.91 0.00 0.00 33.84 33.09 1ddj n VAL 630 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1ddj s GLN 631 N -1.14 3.52 -0.25 5.55 -0.21 -0.51 -4.96 119.66 121.66 1ddj s GLN 631 Ca 0.64 -0.49 0.02 0.00 0.02 0.00 0.00 55.36 55.55 1ddj s GLN 631 Cb -0.77 -2.90 0.05 0.00 1.00 0.00 0.00 33.01 30.39 1ddj s GLN 631 CO 0.57 0.35 -0.12 -2.00 -2.12 0.00 0.00 175.29 171.98 1ddj s GLU 632 N 0.06 2.38 -0.04 2.91 2.12 -1.26 -0.17 118.70 124.71 1ddj s GLU 632 Ca 0.01 -1.26 0.07 0.00 0.36 0.00 0.00 54.97 54.14 1ddj s GLU 632 Cb -0.13 -2.86 -0.02 0.00 0.26 0.00 0.00 34.13 31.38 1ddj s GLU 632 CO 0.02 -0.51 -0.24 0.42 -0.54 0.00 0.00 175.26 174.41 1ddj s ILE 633 N 1.14 2.24 0.62 -3.70 1.01 0.01 -4.93 121.20 117.59 1ddj s ILE 633 Ca -0.06 -1.02 -0.12 0.00 0.00 0.00 0.00 60.65 59.44 1ddj s ILE 633 Cb -0.19 -1.81 -0.03 0.00 0.01 0.00 0.00 42.46 40.44 1ddj s ILE 633 CO -0.06 0.58 1.03 -1.61 0.00 0.00 0.00 174.94 174.88 1ddj s GLU 634 N -0.47 3.49 -0.20 2.79 0.41 -1.26 -0.53 118.70 122.93 1ddj s GLU 634 Ca 0.06 0.85 -0.09 0.00 -0.41 0.00 0.00 54.97 55.37 1ddj s GLU 634 Cb -0.11 -2.07 -0.05 0.00 -1.78 0.00 0.00 34.13 30.12 1ddj s GLU 634 CO 0.01 -0.66 0.12 0.08 -0.49 0.00 0.00 175.26 174.32 1ddj s VAL 635 N -3.04 5.25 -0.08 2.63 1.01 -1.15 -0.67 120.40 124.36 1ddj s VAL 635 Ca 0.57 0.13 0.12 0.00 0.00 0.00 0.00 61.98 62.80 1ddj s VAL 635 Cb -0.12 -3.40 -0.24 0.00 0.00 0.00 0.00 36.38 32.63 1ddj s VAL 635 CO 0.50 0.43 0.51 -1.54 0.00 0.00 0.00 175.10 175.00 1ddj n SER 636 N 3.66 0.85 -3.78 3.32 3.41 0.11 -4.22 113.62 116.97 1ddj n SER 636 Ca -0.16 0.31 -0.11 0.00 -0.26 0.00 0.00 58.87 58.66 1ddj n SER 636 Cb 0.52 0.05 -0.07 0.00 -0.26 0.00 0.00 64.21 64.44 1ddj n SER 636 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1ddj s ARG 637 N -2.57 0.82 -0.02 4.33 0.52 -1.11 -4.79 118.95 116.12 1ddj s ARG 637 Ca -0.08 -0.64 0.07 0.00 -0.52 0.00 0.00 55.73 54.57 1ddj s ARG 637 Cb 0.08 0.35 -0.02 0.00 0.52 0.00 0.00 34.95 35.87 1ddj s ARG 637 CO 0.82 -0.26 -0.24 -0.51 0.02 0.00 0.00 175.30 175.12 1ddj s LEU 638 N -2.29 2.05 -0.18 2.53 1.43 -1.26 -1.34 118.68 119.62 1ddj s LEU 638 Ca -0.02 -0.44 -0.03 0.00 -1.03 0.00 0.00 54.13 52.61 1ddj s LEU 638 Cb 0.00 -1.24 0.06 0.00 0.03 0.00 0.00 46.19 45.04 1ddj s LEU 638 CO -0.06 0.29 0.03 -0.36 0.23 0.00 0.00 176.35 176.49 1ddj s PHE 639 N -0.54 0.96 -0.06 0.29 0.40 0.02 -5.00 117.98 114.04 1ddj s PHE 639 Ca 0.09 -0.77 -0.10 0.00 -0.60 0.00 0.00 56.93 55.55 1ddj s PHE 639 Cb -0.09 -0.99 -0.05 0.00 0.51 0.00 0.00 43.02 42.40 1ddj s PHE 639 CO -0.01 -0.58 0.25 -0.51 0.70 0.00 0.00 175.22 175.07 1ddj s LEU 640 N 1.88 4.42 0.11 -0.37 1.43 -1.26 0.06 118.68 124.95 1ddj s LEU 640 Ca -0.00 0.66 -0.34 0.00 -1.03 0.00 0.00 54.13 53.42 1ddj s LEU 640 Cb -0.17 -2.31 -0.14 0.00 0.03 0.00 0.00 46.19 43.61 1ddj s LEU 640 CO -0.08 0.37 1.63 1.21 0.23 0.00 0.00 176.35 179.71 1ddj n GLU 641 N 1.85 2.13 0.00 1.70 0.00 -0.78 -4.86 120.64 120.67 1ddj n GLU 641 Ca -0.17 0.77 0.00 0.00 0.00 0.00 0.00 57.16 57.76 1ddj n GLU 641 Cb 0.54 -2.55 0.00 0.00 0.00 0.00 0.00 31.44 29.43 1ddj n GLU 641 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 1ddj n PRO 642 N 4.00 0.00 -0.25 5.31 -0.04 -1.26 -2.78 135.00 139.99 1ddj n PRO 642 Ca 0.18 0.31 0.08 0.00 -0.04 0.00 0.00 63.50 64.03 1ddj n PRO 642 Cb 0.29 -1.54 0.15 0.00 -0.04 0.00 0.00 33.50 32.36 1ddj n PRO 642 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1ddj n THR 643 N -1.29 1.87 -1.18 0.52 -2.24 -1.26 -4.98 114.28 105.73 1ddj n THR 643 Ca 0.00 -2.42 -0.06 0.00 -2.27 0.00 0.00 64.05 59.30 1ddj n THR 643 Cb 0.04 -0.19 -0.03 0.00 -2.10 0.00 0.00 70.33 68.05 1ddj n THR 643 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1ddj n ARG 644 N -1.27 -0.55 -2.49 -0.78 0.63 -1.12 -5.03 116.66 106.06 1ddj n ARG 644 Ca 0.16 0.66 -0.33 0.00 -0.92 0.00 0.00 57.85 57.42 1ddj n ARG 644 Cb 0.66 -4.42 -0.04 0.00 0.45 0.00 0.00 32.46 29.11 1ddj n ARG 644 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1ddj s LYS 645 N -2.29 3.94 -1.47 -0.14 -0.14 -1.26 -4.92 119.74 113.46 1ddj s LYS 645 Ca 0.00 1.07 -0.11 0.00 -1.36 0.00 0.00 55.97 55.57 1ddj s LYS 645 Cb 0.00 -2.13 -0.06 0.00 -1.68 0.00 0.00 37.83 33.96 1ddj s LYS 645 CO 0.00 -0.28 2.65 -3.47 -0.76 0.00 0.00 175.35 173.49 1ddj n ASP 646 N -1.30 6.90 -3.74 2.83 4.64 -1.26 -4.55 116.55 120.06 1ddj n ASP 646 Ca 0.07 -2.61 -0.12 0.00 -1.38 0.00 0.00 54.79 50.75 1ddj n ASP 646 Cb 0.54 -1.51 -0.11 0.00 -1.04 0.00 0.00 41.12 38.99 1ddj n ASP 646 CO 0.00 0.00 0.00 -0.51 -0.82 0.00 0.00 177.20 175.87 1ddj s ILE 647 N 2.68 -0.02 0.06 5.18 2.07 -1.26 -3.92 121.20 125.99 1ddj s ILE 647 Ca 0.60 0.06 -0.09 0.00 -1.41 0.00 0.00 60.65 59.81 1ddj s ILE 647 Cb 0.16 -0.47 0.00 0.00 0.13 0.00 0.00 42.46 42.28 1ddj s ILE 647 CO -0.06 0.02 0.20 0.00 -1.91 0.00 0.00 174.94 173.20 1ddj s ALA 648 N 0.72 -0.32 -0.07 1.50 0.00 -0.11 -1.87 121.76 121.60 1ddj s ALA 648 Ca -0.04 -0.40 0.03 0.00 0.00 0.00 0.00 51.96 51.54 1ddj s ALA 648 Cb -0.06 0.37 -0.02 0.00 0.00 0.00 0.00 23.12 23.41 1ddj s ALA 648 CO -0.05 -0.42 -0.13 -0.51 0.00 0.00 0.00 175.76 174.64 1ddj s LEU 649 N -2.40 2.76 -0.13 0.00 1.43 0.11 -0.89 118.68 119.56 1ddj s LEU 649 Ca -0.01 -0.21 0.00 0.00 -1.03 0.00 0.00 54.13 52.88 1ddj s LEU 649 Cb 0.01 -1.58 -0.01 0.00 0.03 0.00 0.00 46.19 44.65 1ddj s LEU 649 CO -0.07 0.31 -0.15 -0.76 0.23 0.00 0.00 176.35 175.91 1ddj s LEU 650 N -0.49 2.60 -0.27 1.79 1.43 0.41 -0.80 118.68 123.35 1ddj s LEU 650 Ca 0.06 -0.38 -0.11 0.00 -1.03 0.00 0.00 54.13 52.67 1ddj s LEU 650 Cb -0.12 -1.58 -0.05 0.00 0.03 0.00 0.00 46.19 44.47 1ddj s LEU 650 CO 0.02 0.15 0.20 -0.75 0.23 0.00 0.00 176.35 176.19 1ddj s LYS 651 N 0.45 3.98 0.51 1.70 2.20 -0.45 -1.62 119.74 126.51 1ddj s LYS 651 Ca -0.11 -0.27 -0.20 0.00 -0.36 0.00 0.00 55.97 55.03 1ddj s LYS 651 Cb -0.16 -3.63 -0.07 0.00 -1.51 0.00 0.00 37.83 32.45 1ddj s LYS 651 CO 0.05 -0.14 1.05 -0.51 -0.36 0.00 0.00 175.35 175.45 1ddj s LEU 652 N 1.63 3.79 0.20 5.43 1.43 -0.18 0.09 118.68 131.07 1ddj s LEU 652 Ca 0.08 1.95 -0.05 0.00 -1.03 0.00 0.00 54.13 55.08 1ddj s LEU 652 Cb -0.15 -4.56 0.14 0.00 0.03 0.00 0.00 46.19 41.64 1ddj s LEU 652 CO 0.10 -0.90 1.59 0.28 0.23 0.00 0.00 176.35 177.65 1ddj h SER 653 N 1.36 0.81 -4.19 2.29 0.02 -1.21 -3.42 113.55 109.22 1ddj h SER 653 Ca -0.49 -0.32 -0.41 0.00 -0.84 0.00 0.00 61.79 59.73 1ddj h SER 653 Cb 1.23 -0.23 -0.27 0.00 0.14 0.00 0.00 62.40 63.27 1ddj h SER 653 CO 0.58 1.04 -0.79 -0.94 -1.14 0.00 0.00 176.83 175.59 1ddj s SER 654 N -6.78 1.31 0.27 3.07 1.04 -1.26 -5.01 113.70 106.34 1ddj s SER 654 Ca -0.09 -0.29 -0.30 0.00 0.48 0.00 0.00 55.95 55.75 1ddj s SER 654 Cb 0.13 -0.12 -0.11 0.00 0.10 0.00 0.00 66.02 66.02 1ddj s SER 654 CO 0.84 0.08 1.58 -2.84 0.98 0.00 0.00 173.24 173.88 1ddj s PRO 655 N -0.58 4.15 0.68 4.02 0.02 -1.26 -4.82 135.00 137.20 1ddj s PRO 655 Ca 0.02 2.52 -0.16 0.00 0.02 0.00 0.00 61.00 63.41 1ddj s PRO 655 Cb -0.05 -3.05 0.01 0.00 0.02 0.00 0.00 34.50 31.43 1ddj s PRO 655 CO 0.00 -0.61 1.19 0.00 -0.33 0.00 0.00 177.00 177.25 1ddj s ALA 656 N 0.18 2.30 -0.25 -1.55 0.00 0.68 -4.96 121.76 118.17 1ddj s ALA 656 Ca 0.64 0.84 -0.18 0.00 0.00 0.00 0.00 51.96 53.26 1ddj s ALA 656 Cb -0.47 -3.43 -0.03 0.00 0.00 0.00 0.00 23.12 19.19 1ddj s ALA 656 CO 0.45 -1.57 0.53 0.08 0.00 0.00 0.00 175.76 175.25 1ddj s VAL 657 N -1.97 5.06 -0.19 0.00 1.01 -1.26 -4.79 120.40 118.26 1ddj s VAL 657 Ca 0.73 0.92 -0.29 0.00 0.00 0.00 0.00 61.98 63.34 1ddj s VAL 657 Cb -0.27 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.26 1ddj s VAL 657 CO 0.41 0.09 1.07 -0.63 0.00 0.00 0.00 175.10 176.04 1ddj s ILE 658 N 2.28 4.64 0.00 2.22 -1.09 -1.26 -4.75 121.20 123.23 1ddj s ILE 658 Ca 0.22 1.96 0.00 0.00 -2.23 0.00 0.00 60.65 60.60 1ddj s ILE 658 Cb -0.16 -4.26 0.00 0.00 -1.58 0.00 0.00 42.46 36.46 1ddj s ILE 658 CO 0.09 -0.13 0.00 0.35 -1.23 0.00 0.00 174.94 174.02 1ddj n THR 659 N 5.13 0.00 1.79 2.92 -2.24 -0.51 -4.71 114.28 116.66 1ddj n THR 659 Ca 0.11 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.97 1ddj n THR 659 Cb 0.46 0.00 0.39 0.00 -2.10 0.00 0.00 70.33 69.08 1ddj n THR 659 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1ddj n ASP 660 N -1.35 0.43 0.00 3.42 5.75 -1.26 -3.38 116.55 120.15 1ddj n ASP 660 Ca 0.00 -1.62 0.00 0.00 -0.01 0.00 0.00 54.79 53.16 1ddj n ASP 660 Cb 0.00 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.06 1ddj n ASP 660 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1ddj n LYS 661 N -0.45 3.33 -3.88 0.11 5.02 -1.26 -4.41 118.16 116.62 1ddj n LYS 661 Ca 0.12 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.10 1ddj n LYS 661 Cb 0.12 -0.54 -0.15 0.00 -0.02 0.00 0.00 35.03 34.44 1ddj n LYS 661 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1ddj s VAL 662 N -0.88 1.46 -0.04 -0.18 1.01 -1.22 -4.18 120.40 116.38 1ddj s VAL 662 Ca 0.00 -1.56 -0.02 0.00 0.00 0.00 0.00 61.98 60.40 1ddj s VAL 662 Cb 0.00 -1.96 0.03 0.00 0.00 0.00 0.00 36.38 34.45 1ddj s VAL 662 CO 0.00 -0.45 0.08 -0.63 0.00 0.00 0.00 175.10 174.11 1ddj s ILE 663 N 1.36 -0.05 0.53 2.22 1.01 -1.06 -1.43 121.20 123.79 1ddj s ILE 663 Ca 0.04 0.17 -0.21 0.00 0.00 0.00 0.00 60.65 60.66 1ddj s ILE 663 Cb -0.18 -0.15 -0.05 0.00 0.01 0.00 0.00 42.46 42.08 1ddj s ILE 663 CO -0.13 0.07 1.20 -2.84 0.00 0.00 0.00 174.94 173.24 1ddj s PRO 664 N 0.95 3.33 0.50 2.79 0.02 -1.26 -1.83 135.00 139.50 1ddj s PRO 664 Ca -0.08 1.84 -0.09 0.00 0.02 0.00 0.00 61.00 62.69 1ddj s PRO 664 Cb -0.10 -2.15 -0.05 0.00 0.02 0.00 0.00 34.50 32.21 1ddj s PRO 664 CO -0.04 -0.92 0.87 0.00 -0.33 0.00 0.00 177.00 176.58 1ddj s ALA 665 N -1.56 3.27 0.21 -1.55 0.00 0.38 -1.24 121.76 121.27 1ddj s ALA 665 Ca 0.71 -0.24 -0.10 0.00 0.00 0.00 0.00 51.96 52.32 1ddj s ALA 665 Cb -0.30 -2.81 -0.07 0.00 0.00 0.00 0.00 23.12 19.94 1ddj s ALA 665 CO 0.35 -0.35 0.54 0.00 0.00 0.00 0.00 175.76 176.30 1ddj s LEU 667 N -2.64 4.25 0.71 0.00 1.43 -1.26 -0.77 118.68 120.39 1ddj s LEU 667 Ca 0.45 0.48 -0.08 0.00 -1.03 0.00 0.00 54.13 53.94 1ddj s LEU 667 Cb -0.12 -3.22 0.05 0.00 0.03 0.00 0.00 46.19 42.93 1ddj s LEU 667 CO 0.21 0.01 1.05 -2.16 0.23 0.00 0.00 176.35 175.68 1ddj s PRO 668 N -3.00 2.36 0.46 1.29 0.04 -1.26 -4.88 135.00 130.01 1ddj s PRO 668 Ca 0.39 -0.02 -0.22 0.00 0.04 0.00 0.00 61.00 61.19 1ddj s PRO 668 Cb -0.12 -2.11 -0.08 0.00 0.04 0.00 0.00 34.50 32.23 1ddj s PRO 668 CO 0.27 -1.20 1.10 -1.54 0.04 0.00 0.00 177.00 175.67 1ddj s SER 669 N -4.47 6.34 0.11 6.66 1.04 -1.26 -4.91 113.70 117.21 1ddj s SER 669 Ca 0.59 2.12 -0.36 0.00 0.48 0.00 0.00 55.95 58.79 1ddj s SER 669 Cb -0.11 -2.59 -0.16 0.00 0.10 0.00 0.00 66.02 63.27 1ddj s SER 669 CO 0.47 -0.79 1.38 -2.65 0.98 0.00 0.00 173.24 172.63 1ddj n PRO 670 N -0.56 1.38 -1.11 4.02 -0.02 -1.26 -2.15 135.00 135.31 1ddj n PRO 670 Ca 0.08 0.50 -0.04 0.00 -2.02 0.00 0.00 63.50 62.02 1ddj n PRO 670 Cb 0.50 -2.16 -0.02 0.00 -0.02 0.00 0.00 33.50 31.80 1ddj n PRO 670 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1ddj n ASN 671 N 2.67 -4.87 -4.76 2.55 3.02 -0.60 -4.98 115.26 108.29 1ddj n ASN 671 Ca 0.18 0.09 -0.39 0.00 -0.03 0.00 0.00 54.58 54.43 1ddj n ASN 671 Cb 0.22 -2.70 0.00 0.00 -0.61 0.00 0.00 39.78 36.69 1ddj n ASN 671 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1ddj s TYR 672 N -1.67 2.70 -0.38 3.10 5.04 -0.91 -4.94 117.35 120.29 1ddj s TYR 672 Ca 0.00 1.41 -0.03 0.00 -2.44 0.00 0.00 57.07 56.02 1ddj s TYR 672 Cb 0.00 -3.67 0.09 0.00 0.35 0.00 0.00 41.96 38.74 1ddj s TYR 672 CO 0.00 -2.21 0.15 0.08 -1.34 0.00 0.00 175.55 172.23 1ddj s VAL 673 N -1.31 3.22 0.28 3.14 1.01 -1.26 -4.75 120.40 120.73 1ddj s VAL 673 Ca 0.61 -1.88 -0.30 0.00 0.00 0.00 0.00 61.98 60.41 1ddj s VAL 673 Cb -0.37 -3.12 -0.11 0.00 0.00 0.00 0.00 36.38 32.77 1ddj s VAL 673 CO 0.47 -0.54 1.58 0.54 0.00 0.00 0.00 175.10 177.15 1ddj s VAL 674 N 1.17 2.15 0.77 2.92 0.11 -1.26 -4.92 120.40 121.34 1ddj s VAL 674 Ca 0.05 0.13 -0.13 0.00 -2.93 0.00 0.00 61.98 59.09 1ddj s VAL 674 Cb -0.22 -3.08 0.06 0.00 -1.53 0.00 0.00 36.38 31.61 1ddj s VAL 674 CO -0.03 0.02 1.17 0.00 -3.33 0.00 0.00 175.10 172.92 1ddj s ALA 675 N 0.09 2.03 0.47 1.54 0.00 -1.26 -4.96 121.76 119.68 1ddj s ALA 675 Ca 0.64 0.69 -0.25 0.00 0.00 0.00 0.00 51.96 53.04 1ddj s ALA 675 Cb -0.47 -3.42 -0.08 0.00 0.00 0.00 0.00 23.12 19.15 1ddj s ALA 675 CO 0.46 -1.99 1.41 -3.47 0.00 0.00 0.00 175.76 172.18 1ddj n ASP 676 N -3.13 3.17 0.00 0.00 2.03 -1.26 -2.65 116.55 114.71 1ddj n ASP 676 Ca 0.12 1.09 0.00 0.00 0.52 0.00 0.00 54.79 56.52 1ddj n ASP 676 Cb 0.51 -1.60 0.00 0.00 -0.72 0.00 0.00 41.12 39.32 1ddj n ASP 676 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1ddj n ARG 677 N -0.35 -0.03 -1.76 -0.67 5.12 0.60 -4.93 116.66 114.65 1ddj n ARG 677 Ca 0.06 0.01 -0.42 0.00 -1.93 0.00 0.00 57.85 55.57 1ddj n ARG 677 Cb 0.42 -3.24 -0.03 0.00 -1.16 0.00 0.00 32.46 28.45 1ddj n ARG 677 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1ddj s THR 678 N -2.87 2.55 -0.04 0.55 2.01 -1.09 -4.48 115.64 112.27 1ddj s THR 678 Ca 0.00 0.12 -0.30 0.00 0.31 0.00 0.00 61.69 61.83 1ddj s THR 678 Cb 0.00 -3.08 -0.03 0.00 0.01 0.00 0.00 72.50 69.40 1ddj s THR 678 CO 0.00 0.00 1.18 -1.61 -0.69 0.00 0.00 174.62 173.50 1ddj s GLU 679 N 2.47 4.38 0.35 4.92 2.02 -1.26 -1.34 118.70 130.23 1ddj s GLU 679 Ca 0.79 1.65 0.04 0.00 0.02 0.00 0.00 54.97 57.47 1ddj s GLU 679 Cb -0.45 -3.52 -0.06 0.00 0.10 0.00 0.00 34.13 30.19 1ddj s GLU 679 CO 0.35 -0.39 0.05 0.00 0.02 0.00 0.00 175.26 175.28 1ddj s PHE 681 N -3.16 0.60 -0.09 0.00 0.40 0.19 0.09 117.98 116.00 1ddj s PHE 681 Ca 0.35 -0.12 -0.01 0.00 -0.60 0.00 0.00 56.93 56.55 1ddj s PHE 681 Cb 0.09 -0.42 -0.03 0.00 0.51 0.00 0.00 43.02 43.16 1ddj s PHE 681 CO 0.16 -0.05 -0.02 -1.50 0.70 0.00 0.00 175.22 174.51 1ddj s ILE 682 N 0.08 4.13 0.12 0.64 2.07 -0.64 -1.34 121.20 126.26 1ddj s ILE 682 Ca -0.01 -0.31 0.07 0.00 -1.41 0.00 0.00 60.65 58.99 1ddj s ILE 682 Cb -0.05 -2.73 -0.04 0.00 0.13 0.00 0.00 42.46 39.77 1ddj s ILE 682 CO -0.00 0.59 -0.16 0.42 -1.91 0.00 0.00 174.94 173.88 1ddj s THR 683 N -0.71 1.46 0.00 4.00 -4.23 -1.19 -1.75 115.64 113.22 1ddj s THR 683 Ca 0.11 -1.68 0.00 0.00 -1.18 0.00 0.00 61.69 58.94 1ddj s THR 683 Cb -0.12 -1.54 0.00 0.00 1.34 0.00 0.00 72.50 72.18 1ddj s THR 683 CO 0.02 -0.32 0.00 0.61 -0.54 0.00 0.00 174.62 174.39 1ddj n GLY 684 N 0.65 1.43 0.09 3.99 0.00 -0.75 -4.32 105.19 106.29 1ddj n GLY 684 Ca -0.16 -1.06 -0.11 0.00 0.00 0.00 0.00 46.02 44.69 1ddj n GLY 684 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1ddj n TRP 685 N -0.79 0.83 -4.93 1.61 8.01 -1.26 -1.02 117.44 119.90 1ddj n TRP 685 Ca 0.00 0.28 0.00 0.00 -1.31 0.00 0.00 57.50 56.47 1ddj n TRP 685 Cb 0.00 -1.15 0.00 0.00 -2.01 0.00 0.00 31.31 28.15 1ddj n TRP 685 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1ddj n GLY 686 N 1.66 -0.31 3.09 6.99 0.00 -1.25 -4.73 105.19 110.65 1ddj n GLY 686 Ca -0.22 -0.96 -0.32 0.00 0.00 0.00 0.00 46.02 44.51 1ddj n GLY 686 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ddj s GLU 687 N 0.00 2.74 0.00 1.61 -6.30 -1.26 -4.99 118.70 110.50 1ddj s GLU 687 Ca 0.00 -0.79 0.00 0.00 -2.50 0.00 0.00 54.97 51.68 1ddj s GLU 687 Cb 0.00 -2.47 0.00 0.00 0.00 0.00 0.00 34.13 31.66 1ddj s GLU 687 CO 0.00 -0.25 0.00 -2.37 0.02 0.00 0.00 175.26 172.66 1ddj n THR 688 N 4.65 0.00 -3.77 -1.70 5.66 -1.26 -5.16 114.28 112.69 1ddj n THR 688 Ca -0.19 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.57 1ddj n THR 688 Cb 0.49 0.00 -0.17 0.00 -1.55 0.00 0.00 70.33 69.10 1ddj n THR 688 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 1ddj s GLN 689 N 0.00 0.67 0.00 1.09 -0.21 -1.26 -4.15 119.66 115.80 1ddj s GLN 689 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 55.36 55.37 1ddj s GLN 689 Cb 0.00 -1.21 0.00 0.00 1.00 0.00 0.00 33.01 32.80 1ddj s GLN 689 CO 0.00 -0.36 0.00 0.41 -2.12 0.00 0.00 175.29 173.22 1ddj n GLY 690 N 5.12 0.54 0.00 3.09 0.00 -1.26 -5.10 105.19 107.58 1ddj n GLY 690 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1ddj n GLY 690 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ddj n THR 691 N 0.00 0.00 -4.06 2.61 -1.04 -1.26 -5.10 114.28 105.43 1ddj n THR 691 Ca 0.00 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.71 1ddj n THR 691 Cb 0.00 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.45 1ddj n THR 691 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 1ddj s PHE 692 N 3.97 3.18 -1.46 -1.42 5.36 -1.26 -4.42 117.98 121.92 1ddj s PHE 692 Ca 0.00 0.06 0.00 0.00 -0.96 0.00 0.00 56.93 56.03 1ddj s PHE 692 Cb 0.00 -1.60 0.00 0.00 -0.34 0.00 0.00 43.02 41.08 1ddj s PHE 692 CO 0.00 0.52 0.00 0.41 -1.46 0.00 0.00 175.22 174.69 1ddj n GLY 693 N 0.37 1.31 3.74 13.12 0.00 -1.26 -4.92 105.19 117.55 1ddj n GLY 693 Ca -0.09 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 1ddj n GLY 693 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ddj s ALA 694 N -2.18 3.58 0.00 4.61 0.00 -1.26 -2.48 121.76 124.03 1ddj s ALA 694 Ca 0.00 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.19 1ddj s ALA 694 Cb 0.00 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.60 1ddj s ALA 694 CO 0.00 -0.65 0.00 0.41 0.00 0.00 0.00 175.76 175.52 1ddj n GLY 695 N 2.25 0.52 3.77 0.00 0.00 -1.26 -4.95 105.19 105.52 1ddj n GLY 695 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 1ddj n GLY 695 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ddj s LEU 696 N 0.00 3.83 0.18 0.99 1.43 -1.04 0.91 118.68 124.98 1ddj s LEU 696 Ca 0.00 0.07 -0.31 0.00 -1.03 0.00 0.00 54.13 52.87 1ddj s LEU 696 Cb 0.00 -2.35 -0.09 0.00 0.03 0.00 0.00 46.19 43.78 1ddj s LEU 696 CO 0.00 0.23 1.44 -0.22 0.23 0.00 0.00 176.35 178.03 1ddj s LEU 697 N -1.99 4.38 0.34 1.79 2.96 -0.01 -4.64 118.68 121.52 1ddj s LEU 697 Ca 0.25 2.51 0.09 0.00 -0.22 0.00 0.00 54.13 56.77 1ddj s LEU 697 Cb -0.12 -3.60 -0.06 0.00 0.50 0.00 0.00 46.19 42.91 1ddj s LEU 697 CO 0.17 -0.69 -0.07 -0.54 -1.32 0.00 0.00 176.35 173.89 1ddj s LYS 698 N 0.53 1.87 0.05 1.98 1.02 -0.19 -0.02 119.74 124.99 1ddj s LYS 698 Ca 0.63 -1.89 -0.02 0.00 0.02 0.00 0.00 55.97 54.72 1ddj s LYS 698 Cb -0.40 -1.76 -0.03 0.00 -0.52 0.00 0.00 37.83 35.12 1ddj s LYS 698 CO 0.35 0.15 -0.01 -1.83 -0.92 0.00 0.00 175.35 173.09 1ddj s GLU 699 N -3.63 0.61 -0.16 1.68 -1.05 0.13 -1.82 118.70 114.47 1ddj s GLU 699 Ca 0.33 -1.14 -0.07 0.00 -0.15 0.00 0.00 54.97 53.93 1ddj s GLU 699 Cb 0.02 0.22 0.06 0.00 -0.44 0.00 0.00 34.13 33.99 1ddj s GLU 699 CO 0.17 -0.12 0.36 0.00 0.95 0.00 0.00 175.26 176.62 1ddj s ALA 700 N -3.72 -0.91 -0.20 -0.84 0.00 -0.72 -0.36 121.76 115.02 1ddj s ALA 700 Ca 0.05 1.34 -0.29 0.00 0.00 0.00 0.00 51.96 53.06 1ddj s ALA 700 Cb 0.06 -0.97 0.00 0.00 0.00 0.00 0.00 23.12 22.21 1ddj s ALA 700 CO -0.09 -0.41 1.03 -1.14 0.00 0.00 0.00 175.76 175.14 1ddj s GLN 701 N 1.79 4.30 -0.11 0.00 0.74 -1.26 -1.62 119.66 123.49 1ddj s GLN 701 Ca -0.06 1.36 0.02 0.00 0.05 0.00 0.00 55.36 56.73 1ddj s GLN 701 Cb -0.10 -3.62 0.01 0.00 1.10 0.00 0.00 33.01 30.41 1ddj s GLN 701 CO -0.11 -0.55 -0.18 -0.51 -0.55 0.00 0.00 175.29 173.39 1ddj s LEU 702 N 2.90 1.85 0.14 3.68 1.43 0.11 -4.58 118.68 124.21 1ddj s LEU 702 Ca 0.45 -0.48 -0.22 0.00 -1.03 0.00 0.00 54.13 52.86 1ddj s LEU 702 Cb -0.16 -1.19 -0.07 0.00 0.03 0.00 0.00 46.19 44.79 1ddj s LEU 702 CO 0.09 0.05 0.68 -2.16 0.23 0.00 0.00 176.35 175.24 1ddj s PRO 703 N 0.85 4.35 0.44 1.29 0.04 -1.26 -0.39 135.00 140.33 1ddj s PRO 703 Ca -0.09 0.93 -0.21 0.00 0.04 0.00 0.00 61.00 61.67 1ddj s PRO 703 Cb -0.15 -3.18 -0.10 0.00 0.04 0.00 0.00 34.50 31.11 1ddj s PRO 703 CO -0.00 0.57 0.98 0.14 0.04 0.00 0.00 177.00 178.73 1ddj s VAL 704 N -1.21 4.16 -0.20 -0.36 -7.23 -0.45 -0.91 120.40 114.19 1ddj s VAL 704 Ca 0.34 1.38 0.00 0.00 -1.81 0.00 0.00 61.98 61.89 1ddj s VAL 704 Cb -0.20 -3.58 0.02 0.00 0.56 0.00 0.00 36.38 33.18 1ddj s VAL 704 CO 0.22 -0.26 -0.15 -0.63 -0.31 0.00 0.00 175.10 173.98 1ddj s ILE 705 N -2.06 2.39 0.54 -0.62 1.01 -0.51 -0.29 121.20 121.66 1ddj s ILE 705 Ca 0.63 -0.96 -0.20 0.00 0.00 0.00 0.00 60.65 60.12 1ddj s ILE 705 Cb -0.12 -2.10 -0.07 0.00 0.01 0.00 0.00 42.46 40.18 1ddj s ILE 705 CO 0.16 0.41 0.89 -1.84 0.00 0.00 0.00 174.94 174.56 1ddj n GLU 706 N 4.63 0.96 -0.26 2.79 0.28 -1.26 -3.98 120.64 123.81 1ddj n GLU 706 Ca -0.19 0.36 0.16 0.00 -0.16 0.00 0.00 57.16 57.33 1ddj n GLU 706 Cb 0.49 -2.03 0.45 0.00 1.43 0.00 0.00 31.44 31.77 1ddj n GLU 706 CO 0.00 0.00 0.00 -0.91 -0.16 0.00 0.00 177.13 176.06 1ddj h ASN 707 N 0.77 0.52 -0.48 -1.84 -0.26 -1.93 -0.82 115.58 111.55 1ddj h ASN 707 Ca -0.47 0.05 0.04 0.00 -0.56 0.00 0.00 56.30 55.36 1ddj h ASN 707 Cb 1.36 -0.05 -0.04 0.00 -1.06 0.00 0.00 38.32 38.53 1ddj h ASN 707 CO 0.52 0.23 0.25 0.50 -1.06 0.00 0.00 177.43 177.86 1ddj h LYS 708 N 0.53 0.47 0.07 0.81 3.64 -1.96 0.29 116.57 120.42 1ddj h LYS 708 Ca 0.47 -0.03 -0.26 0.00 -1.27 0.00 0.00 60.65 59.56 1ddj h LYS 708 Cb 0.99 -0.11 0.01 0.00 -0.41 0.00 0.00 32.23 32.71 1ddj h LYS 708 CO -0.21 0.31 -1.10 0.28 -2.27 0.00 0.00 179.45 176.47 1ddj h VAL 709 N 0.49 1.39 -0.13 2.00 2.07 -1.75 -3.26 116.25 117.06 1ddj h VAL 709 Ca 0.21 -2.60 -0.05 0.00 0.82 0.00 0.00 66.70 65.07 1ddj h VAL 709 Cb 0.10 2.62 -0.01 0.00 -1.52 0.00 0.00 31.29 32.49 1ddj h VAL 709 CO -0.14 0.78 -0.16 0.00 0.02 0.00 0.00 177.57 178.07 1ddj n ASN 711 N -4.25 1.51 -4.79 0.00 3.02 0.10 -1.24 115.26 109.60 1ddj n ASN 711 Ca -0.01 -2.11 -0.35 0.00 -0.03 0.00 0.00 54.58 52.08 1ddj n ASN 711 Cb 0.29 -0.35 -0.03 0.00 -0.61 0.00 0.00 39.78 39.07 1ddj n ASN 711 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1ddj s ARG 712 N -1.56 3.86 0.19 3.52 0.52 -1.07 -0.74 118.95 123.67 1ddj s ARG 712 Ca 0.11 1.40 -0.23 0.00 -0.52 0.00 0.00 55.73 56.50 1ddj s ARG 712 Cb 0.07 -2.19 0.08 0.00 0.52 0.00 0.00 34.95 33.44 1ddj s ARG 712 CO 0.05 -0.38 1.47 0.98 0.02 0.00 0.00 175.30 177.44 1ddj n TYR 713 N -0.79 -0.19 0.20 -0.53 9.36 -1.26 -0.08 117.16 123.87 1ddj n TYR 713 Ca 0.08 1.18 0.05 0.00 3.32 0.00 0.00 57.90 62.54 1ddj n TYR 713 Cb 0.52 -0.72 0.25 0.00 -0.63 0.00 0.00 39.34 38.76 1ddj n TYR 713 CO 0.00 0.00 0.00 -0.85 0.22 0.00 0.00 176.86 176.23 1ddj n GLU 714 N -5.30 0.05 0.00 2.98 0.28 -1.26 -4.12 120.64 113.27 1ddj n GLU 714 Ca 0.06 0.46 0.00 0.00 -0.16 0.00 0.00 57.16 57.52 1ddj n GLU 714 Cb 0.32 -1.63 0.00 0.00 1.43 0.00 0.00 31.44 31.55 1ddj n GLU 714 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 1ddj n PHE 715 N -1.74 0.00 1.01 -1.84 3.01 0.89 -4.76 117.46 114.04 1ddj n PHE 715 Ca 0.01 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.58 1ddj n PHE 715 Cb 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.54 1ddj n PHE 715 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1ddj n LEU 716 N 0.00 1.86 -3.61 4.37 4.32 -0.37 -4.95 117.00 118.62 1ddj n LEU 716 Ca 0.00 -0.70 -0.23 0.00 -0.02 0.00 0.00 56.01 55.06 1ddj n LEU 716 Cb 0.00 -0.01 0.01 0.00 -1.62 0.00 0.00 43.42 41.80 1ddj n LEU 716 CO 0.00 0.35 -0.16 -3.20 -1.22 0.00 0.00 177.39 173.17 1ddj n ASN 717 N -0.24 -5.48 0.00 -1.43 4.05 -0.49 -2.23 115.26 109.44 1ddj n ASN 717 Ca 0.09 -0.65 0.00 0.00 0.45 0.00 0.00 54.58 54.46 1ddj n ASN 717 Cb 0.45 -2.32 0.00 0.00 1.23 0.00 0.00 39.78 39.14 1ddj n ASN 717 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1ddj n GLY 718 N -1.38 0.00 0.05 8.20 0.00 0.08 -4.81 105.19 107.33 1ddj n GLY 718 Ca -0.22 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.93 1ddj n GLY 718 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ddj n ARG 719 N -0.18 0.15 -2.94 1.61 1.74 -0.95 -4.79 116.66 111.31 1ddj n ARG 719 Ca 0.00 0.09 -0.41 0.00 -0.77 0.00 0.00 57.85 56.76 1ddj n ARG 719 Cb 0.27 -1.64 -0.04 0.00 -1.02 0.00 0.00 32.46 30.03 1ddj n ARG 719 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1ddj s VAL 720 N -3.07 4.92 0.58 1.55 1.01 -1.26 -5.05 120.40 119.07 1ddj s VAL 720 Ca 0.10 1.53 0.10 0.00 0.00 0.00 0.00 61.98 63.71 1ddj s VAL 720 Cb 0.15 -4.09 0.09 0.00 0.00 0.00 0.00 36.38 32.53 1ddj s VAL 720 CO 0.63 0.05 0.79 -1.10 0.00 0.00 0.00 175.10 175.47 1ddj s GLN 721 N 2.03 2.27 0.58 2.72 -0.21 -1.26 -4.99 119.66 120.80 1ddj s GLN 721 Ca 0.36 -1.70 0.34 0.00 0.02 0.00 0.00 55.36 54.39 1ddj s GLN 721 Cb -0.16 -2.61 1.77 0.00 1.00 0.00 0.00 33.01 33.01 1ddj s GLN 721 CO 0.12 -0.89 2.16 0.66 -2.12 0.00 0.00 175.29 175.22 1ddj h SER 722 N 0.18 0.00 -0.13 5.90 4.64 -2.01 -2.28 113.55 119.85 1ddj h SER 722 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1ddj h SER 722 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1ddj h SER 722 CO 0.41 0.05 0.00 0.35 -0.87 0.00 0.00 176.83 176.77 1ddj n THR 723 N -3.35 0.17 -4.17 2.95 -2.24 -1.26 -4.84 114.28 101.54 1ddj n THR 723 Ca -0.02 -0.20 -0.11 0.00 -2.27 0.00 0.00 64.05 61.46 1ddj n THR 723 Cb 0.19 0.07 -0.10 0.00 -2.10 0.00 0.00 70.33 68.39 1ddj n THR 723 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1ddj s GLU 724 N -1.83 0.91 0.11 -0.78 8.01 -0.86 -0.83 118.70 123.44 1ddj s GLU 724 Ca 0.19 -1.41 -0.05 0.00 0.01 0.00 0.00 54.97 53.71 1ddj s GLU 724 Cb 0.09 -0.00 -0.02 0.00 -4.31 0.00 0.00 34.13 29.89 1ddj s GLU 724 CO 0.14 -0.15 0.11 -0.48 0.01 0.00 0.00 175.26 174.89 1ddj s LEU 725 N -3.07 1.71 0.14 1.80 2.34 -0.27 -4.65 118.68 116.68 1ddj s LEU 725 Ca 0.19 -0.95 0.10 0.00 0.06 0.00 0.00 54.13 53.53 1ddj s LEU 725 Cb 0.07 0.64 -0.04 0.00 -0.56 0.00 0.00 46.19 46.30 1ddj s LEU 725 CO -0.01 -0.73 -0.21 0.00 -1.06 0.00 0.00 176.35 174.34 1ddj s ALA 727 N -1.29 -1.89 0.00 0.00 0.00 -0.72 -1.42 121.76 116.43 1ddj s ALA 727 Ca 0.18 2.22 0.00 0.00 0.00 0.00 0.00 51.96 54.36 1ddj s ALA 727 Cb -0.10 -1.36 0.00 0.00 0.00 0.00 0.00 23.12 21.66 1ddj s ALA 727 CO 0.09 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 175.91 1ddj n GLY 728 N 3.49 0.44 3.38 0.00 0.00 -0.09 -2.69 105.19 109.72 1ddj n GLY 728 Ca -0.17 -1.36 -0.30 0.00 0.00 0.00 0.00 46.02 44.19 1ddj n GLY 728 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ddj s HIS 729 N -4.00 2.40 -2.25 1.61 3.76 -1.26 -4.29 115.29 111.25 1ddj s HIS 729 Ca 0.00 -0.36 0.27 0.00 -0.15 0.00 0.00 55.06 54.82 1ddj s HIS 729 Cb 0.00 -1.41 0.81 0.00 1.11 0.00 0.00 32.58 33.09 1ddj s HIS 729 CO 0.00 0.18 1.60 1.28 -0.85 0.00 0.00 174.74 176.95 1ddj n LEU 730 N 1.66 1.49 -3.79 0.89 4.77 -1.26 -3.50 117.00 117.27 1ddj n LEU 730 Ca -0.17 -0.47 -0.01 0.00 -0.03 0.00 0.00 56.01 55.33 1ddj n LEU 730 Cb 0.52 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1ddj n LEU 730 CO 0.24 0.26 0.89 0.00 -1.33 0.00 0.00 177.39 177.45 1ddj s ALA 731 N -2.21 -1.91 -1.16 -1.18 0.00 -1.25 -4.75 121.76 109.30 1ddj s ALA 731 Ca 0.31 0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.40 1ddj s ALA 731 Cb 0.20 0.63 0.00 0.00 0.00 0.00 0.00 23.12 23.95 1ddj s ALA 731 CO 0.41 -1.07 0.00 0.41 0.00 0.00 0.00 175.76 175.51 1ddj n GLY 732 N -0.60 0.20 4.01 0.00 0.00 -1.25 -4.93 105.19 102.62 1ddj n GLY 732 Ca -0.05 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.80 1ddj n GLY 732 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ddj s GLY 733 N -2.04 1.93 0.58 -0.02 0.00 -1.24 -4.99 107.32 101.54 1ddj s GLY 733 Ca 0.00 -1.73 0.05 0.00 0.00 0.00 0.00 44.72 43.04 1ddj s GLY 733 CO 0.00 -1.52 0.80 -1.08 0.00 0.00 0.00 173.10 171.31 1ddj s THR 734 N -2.39 2.40 -0.61 0.90 -1.32 -1.26 -3.97 115.64 109.38 1ddj s THR 734 Ca 0.56 -0.83 0.01 0.00 -1.21 0.00 0.00 61.69 60.22 1ddj s THR 734 Cb -0.09 -2.57 0.15 0.00 -1.51 0.00 0.00 72.50 68.48 1ddj s THR 734 CO 0.33 0.00 0.40 -0.62 -2.21 0.00 0.00 174.62 172.52 1ddj s ASP 735 N -4.58 4.85 -0.17 8.08 3.68 -1.26 -2.56 116.67 124.70 1ddj s ASP 735 Ca 0.61 -3.12 -0.21 0.00 2.13 0.00 0.00 52.55 51.96 1ddj s ASP 735 Cb -0.07 -1.74 0.05 0.00 -1.45 0.00 0.00 42.92 39.71 1ddj s ASP 735 CO 0.39 -0.26 0.56 -0.94 0.13 0.00 0.00 175.17 175.05 1ddj s SER 736 N -0.07 -0.56 -0.78 -0.34 1.04 -0.45 -4.99 113.70 107.55 1ddj s SER 736 Ca 0.19 0.99 -0.25 0.00 0.48 0.00 0.00 55.95 57.36 1ddj s SER 736 Cb -0.20 0.99 0.05 0.00 0.10 0.00 0.00 66.02 66.96 1ddj s SER 736 CO -0.04 -0.28 1.23 0.00 0.98 0.00 0.00 173.24 175.13 1ddj s GLN 738 N 5.04 2.47 4.84 0.00 -0.21 -1.26 -4.88 119.66 125.66 1ddj s GLN 738 Ca 0.34 1.29 0.00 0.00 0.02 0.00 0.00 55.36 57.01 1ddj s GLN 738 Cb -0.09 -1.92 0.00 0.00 1.00 0.00 0.00 33.01 32.01 1ddj s GLN 738 CO 0.08 -1.49 0.00 0.41 -2.12 0.00 0.00 175.29 172.17 1ddj n GLY 739 N -0.84 1.87 3.35 3.09 0.00 -1.26 -4.75 105.19 106.66 1ddj n GLY 739 Ca 0.10 -0.50 -0.29 0.00 0.00 0.00 0.00 46.02 45.33 1ddj n GLY 739 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ddj s ASP 740 N -4.00 3.12 0.51 1.61 1.01 -1.26 -3.75 116.67 113.91 1ddj s ASP 740 Ca 0.00 -0.68 -0.23 0.00 0.71 0.00 0.00 52.55 52.36 1ddj s ASP 740 Cb 0.00 -0.23 -0.06 0.00 1.01 0.00 0.00 42.92 43.64 1ddj s ASP 740 CO 0.00 0.19 1.29 0.00 0.21 0.00 0.00 175.17 176.86 1ddj n ALA 741 N 1.27 1.36 0.00 5.23 0.00 -1.26 -0.98 120.51 126.13 1ddj n ALA 741 Ca -0.18 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1ddj n ALA 741 Cb 0.53 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.67 1ddj n ALA 741 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ddj n GLY 742 N 0.83 2.74 3.61 0.00 0.00 -0.39 -0.40 105.19 111.57 1ddj n GLY 742 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 1ddj n GLY 742 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ddj s GLY 743 N -1.73 1.57 0.49 -0.02 0.00 -0.15 -3.18 107.32 104.31 1ddj s GLY 743 Ca 0.00 -0.16 -0.09 0.00 0.00 0.00 0.00 44.72 44.47 1ddj s GLY 743 CO 0.00 0.47 0.86 2.56 0.00 0.00 0.00 173.10 176.99 1ddj s PRO 744 N -4.74 3.67 -0.21 2.90 0.04 -1.26 -0.87 135.00 134.53 1ddj s PRO 744 Ca 0.66 0.49 -0.02 0.00 0.04 0.00 0.00 61.00 62.17 1ddj s PRO 744 Cb -0.21 -2.29 0.06 0.00 0.04 0.00 0.00 34.50 32.11 1ddj s PRO 744 CO 0.60 -0.25 0.03 -1.17 0.04 0.00 0.00 177.00 176.25 1ddj s LEU 745 N -4.50 1.45 0.12 -3.56 1.98 0.32 -3.15 118.68 111.34 1ddj s LEU 745 Ca 0.52 -0.93 0.10 0.00 -2.89 0.00 0.00 54.13 50.92 1ddj s LEU 745 Cb -0.10 -0.70 -0.04 0.00 0.66 0.00 0.00 46.19 46.01 1ddj s LEU 745 CO 0.41 -0.30 -0.21 0.68 -1.89 0.00 0.00 176.35 175.04 1ddj s VAL 746 N 1.78 2.63 -0.08 1.68 -7.23 -0.45 -1.29 120.40 117.44 1ddj s VAL 746 Ca -0.01 -1.59 -0.01 0.00 -1.81 0.00 0.00 61.98 58.55 1ddj s VAL 746 Cb -0.17 -2.19 0.03 0.00 0.56 0.00 0.00 36.38 34.60 1ddj s VAL 746 CO -0.09 0.10 -0.01 0.00 -0.31 0.00 0.00 175.10 174.79 1ddj s PHE 748 N 1.94 2.99 0.00 0.00 5.36 -1.26 -1.85 117.98 125.15 1ddj s PHE 748 Ca 0.05 0.49 0.00 0.00 -0.96 0.00 0.00 56.93 56.51 1ddj s PHE 748 Cb -0.12 -4.03 0.00 0.00 -0.34 0.00 0.00 43.02 38.53 1ddj s PHE 748 CO -0.06 -3.85 0.00 -1.91 -1.46 0.00 0.00 175.22 167.94 1ddj n GLU 749 N 3.99 0.00 -0.12 10.12 2.13 0.82 -4.93 120.64 132.65 1ddj n GLU 749 Ca 0.15 0.00 -0.23 0.00 0.66 0.00 0.00 57.16 57.74 1ddj n GLU 749 Cb 0.37 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 31.99 1ddj n GLU 749 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1ddj n LYS 750 N -0.20 0.51 -0.66 5.31 0.00 -1.26 -4.83 118.16 117.03 1ddj n LYS 750 Ca 0.00 0.19 -0.01 0.00 0.00 0.00 0.00 58.31 58.50 1ddj n LYS 750 Cb 0.00 -1.37 -0.01 0.00 0.00 0.00 0.00 35.03 33.66 1ddj n LYS 750 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1ddj n ASP 751 N -3.80 -0.04 -3.46 3.14 3.85 -1.26 -5.12 116.55 109.86 1ddj n ASP 751 Ca -0.44 -1.55 -0.11 0.00 -0.71 0.00 0.00 54.79 51.98 1ddj n ASP 751 Cb 0.85 -0.05 -0.02 0.00 -1.35 0.00 0.00 41.12 40.55 1ddj n ASP 751 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.20 174.60 1ddj s LYS 752 N 0.00 1.11 -0.08 0.11 -2.85 -1.26 -4.84 119.74 111.93 1ddj s LYS 752 Ca 0.03 -0.36 -0.21 0.00 -1.00 0.00 0.00 55.97 54.44 1ddj s LYS 752 Cb 0.04 0.51 -0.04 0.00 -2.06 0.00 0.00 37.83 36.28 1ddj s LYS 752 CO -0.02 -0.47 0.58 0.71 0.10 0.00 0.00 175.35 176.25 1ddj s TYR 753 N -3.34 3.57 -0.09 1.78 1.51 0.13 -0.13 117.35 120.78 1ddj s TYR 753 Ca 0.01 1.08 0.03 0.00 -1.01 0.00 0.00 57.07 57.19 1ddj s TYR 753 Cb -0.01 -2.66 -0.01 0.00 -0.11 0.00 0.00 41.96 39.17 1ddj s TYR 753 CO -0.10 0.18 -0.18 0.42 -1.11 0.00 0.00 175.55 174.75 1ddj s ILE 754 N 0.53 2.61 -0.45 2.71 1.01 -0.77 -3.73 121.20 123.11 1ddj s ILE 754 Ca 0.31 -0.84 -0.28 0.00 0.00 0.00 0.00 60.65 59.84 1ddj s ILE 754 Cb -0.17 -2.03 0.00 0.00 0.01 0.00 0.00 42.46 40.27 1ddj s ILE 754 CO 0.15 0.55 1.56 -0.22 0.00 0.00 0.00 174.94 176.98 1ddj s LEU 755 N 0.05 3.49 -0.06 2.97 2.96 0.05 -1.15 118.68 126.99 1ddj s LEU 755 Ca -0.07 0.77 0.15 0.00 -0.22 0.00 0.00 54.13 54.76 1ddj s LEU 755 Cb -0.15 -3.32 -0.22 0.00 0.50 0.00 0.00 46.19 43.00 1ddj s LEU 755 CO 0.05 -1.67 0.25 0.00 -1.32 0.00 0.00 176.35 173.67 1ddj n GLN 756 N 8.42 0.83 -3.94 1.98 1.13 -0.41 -4.20 117.38 121.19 1ddj n GLN 756 Ca 0.18 -0.10 -0.09 0.00 -1.94 0.00 0.00 57.00 55.04 1ddj n GLN 756 Cb 0.48 -1.37 -0.10 0.00 0.11 0.00 0.00 30.24 29.36 1ddj n GLN 756 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1ddj s GLY 757 N -4.11 0.18 -0.18 1.08 0.00 -0.63 -1.14 107.32 102.52 1ddj s GLY 757 Ca -0.06 -0.54 0.00 0.00 0.00 0.00 0.00 44.72 44.12 1ddj s GLY 757 CO 0.63 -0.67 -0.18 0.14 0.00 0.00 0.00 173.10 173.03 1ddj s VAL 758 N -2.39 2.25 0.07 1.40 1.01 -0.96 -0.52 120.40 121.26 1ddj s VAL 758 Ca -0.07 -0.88 -0.33 0.00 0.00 0.00 0.00 61.98 60.71 1ddj s VAL 758 Cb -0.03 -1.96 -0.12 0.00 0.00 0.00 0.00 36.38 34.28 1ddj s VAL 758 CO -0.04 0.52 1.79 0.41 0.00 0.00 0.00 175.10 177.78 1ddj n THR 759 N 4.63 0.34 -3.54 3.92 -1.04 -0.05 -2.31 114.28 116.23 1ddj n THR 759 Ca -0.21 -0.06 -0.24 0.00 -2.04 0.00 0.00 64.05 61.50 1ddj n THR 759 Cb 0.50 -1.90 -0.15 0.00 -1.82 0.00 0.00 70.33 66.96 1ddj n THR 759 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1ddj s SER 760 N 2.68 2.41 0.49 8.00 0.15 -1.26 -1.27 113.70 124.91 1ddj s SER 760 Ca 0.84 -0.75 0.23 0.00 0.70 0.00 0.00 55.95 56.98 1ddj s SER 760 Cb -0.59 -0.05 1.26 0.00 -1.71 0.00 0.00 66.02 64.92 1ddj s SER 760 CO 0.42 -0.38 2.01 -0.50 1.20 0.00 0.00 173.24 175.99 1ddj h TRP 761 N 8.38 0.00 -0.81 3.44 6.55 -1.88 -2.92 115.95 128.70 1ddj h TRP 761 Ca -0.17 0.00 -0.02 0.00 0.95 0.00 0.00 58.89 59.65 1ddj h TRP 761 Cb 1.10 0.00 -0.04 0.00 -0.86 0.00 0.00 29.16 29.36 1ddj h TRP 761 CO 0.20 0.17 0.43 0.78 -1.05 0.00 0.00 178.44 178.97 1ddj h GLY 762 N 0.92 1.22 2.00 1.49 0.00 -1.96 -2.08 103.07 104.66 1ddj h GLY 762 Ca -0.00 -0.56 -0.01 0.00 0.00 0.00 0.00 47.33 46.76 1ddj h GLY 762 CO 0.02 0.53 -0.04 1.41 0.00 0.00 0.00 176.54 178.47 1ddj h LEU 763 N 1.14 0.00 0.00 3.11 3.38 -1.78 -3.46 115.31 117.70 1ddj h LEU 763 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1ddj h LEU 763 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1ddj h LEU 763 CO -0.04 0.04 0.00 0.61 0.09 0.00 0.00 178.44 179.13 1ddj n GLY 764 N -1.35 3.76 3.96 0.83 0.00 -0.78 -4.65 105.19 106.95 1ddj n GLY 764 Ca -0.03 -0.46 -0.24 0.00 0.00 0.00 0.00 46.02 45.29 1ddj n GLY 764 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ddj s ALA 766 N -3.07 3.69 0.22 0.00 0.00 -0.93 -4.22 121.76 117.44 1ddj s ALA 766 Ca 0.61 1.23 0.08 0.00 0.00 0.00 0.00 51.96 53.87 1ddj s ALA 766 Cb -0.09 -3.60 -0.05 0.00 0.00 0.00 0.00 23.12 19.38 1ddj s ALA 766 CO 0.43 -0.77 -0.13 1.03 0.00 0.00 0.00 175.76 176.31 1ddj s ARG 767 N 1.41 1.38 0.52 0.00 1.81 -0.37 -1.34 118.95 122.36 1ddj s ARG 767 Ca 0.68 -1.63 0.30 0.00 -1.72 0.00 0.00 55.73 53.37 1ddj s ARG 767 Cb -0.40 -1.15 1.08 0.00 -0.45 0.00 0.00 34.95 34.03 1ddj s ARG 767 CO 0.31 0.17 1.88 -1.35 -0.68 0.00 0.00 175.30 175.62 1ddj h PRO 768 N 2.50 0.00 0.00 3.54 0.11 -1.62 -3.30 132.00 133.22 1ddj h PRO 768 Ca -0.38 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.67 1ddj h PRO 768 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1ddj h PRO 768 CO 0.63 0.01 -0.62 -0.97 -0.21 0.00 0.00 178.00 176.84 1ddj h ASN 769 N 0.00 0.00 -2.33 -2.05 -0.00 -1.87 -3.30 115.58 106.03 1ddj h ASN 769 Ca -0.00 -0.17 -0.55 0.00 -0.00 0.00 0.00 56.30 55.58 1ddj h ASN 769 Cb 0.65 0.00 -0.08 0.00 -0.00 0.00 0.00 38.32 38.89 1ddj h ASN 769 CO 0.00 0.92 -0.61 -0.54 -0.00 0.00 0.00 177.43 177.21 1ddj s LYS 770 N -2.19 2.52 0.52 6.67 1.02 -1.24 -4.42 119.74 122.61 1ddj s LYS 770 Ca -0.17 -1.24 -0.05 0.00 0.02 0.00 0.00 55.97 54.53 1ddj s LYS 770 Cb 0.03 -2.33 -0.02 0.00 -0.52 0.00 0.00 37.83 34.98 1ddj s LYS 770 CO 0.31 0.40 0.82 -1.25 -0.92 0.00 0.00 175.35 174.70 1ddj s PRO 771 N -3.58 3.30 0.30 -1.68 0.04 -1.23 -1.23 135.00 130.92 1ddj s PRO 771 Ca 0.31 0.09 -0.28 0.00 0.04 0.00 0.00 61.00 61.16 1ddj s PRO 771 Cb -0.07 -2.35 -0.09 0.00 0.04 0.00 0.00 34.50 32.02 1ddj s PRO 771 CO 0.21 -0.38 1.06 0.20 0.04 0.00 0.00 177.00 178.14 1ddj s GLY 772 N -4.18 3.01 -0.18 0.56 0.00 -1.09 -4.76 107.32 100.68 1ddj s GLY 772 Ca 0.50 0.82 -0.05 0.00 0.00 0.00 0.00 44.72 45.98 1ddj s GLY 772 CO 0.45 1.38 0.00 0.14 0.00 0.00 0.00 173.10 175.07 1ddj s VAL 773 N -1.26 4.16 0.28 1.40 1.01 -0.76 -1.76 120.40 123.46 1ddj s VAL 773 Ca 0.46 -0.26 0.12 0.00 0.00 0.00 0.00 61.98 62.31 1ddj s VAL 773 Cb -0.29 -2.86 -0.05 0.00 0.00 0.00 0.00 36.38 33.18 1ddj s VAL 773 CO 0.37 0.46 -0.18 -0.31 0.00 0.00 0.00 175.10 175.44 1ddj s TYR 774 N 0.59 2.32 -0.04 5.22 1.51 0.24 -4.36 117.35 122.83 1ddj s TYR 774 Ca -0.00 -0.32 -0.30 0.00 -1.01 0.00 0.00 57.07 55.43 1ddj s TYR 774 Cb -0.14 -1.01 -0.03 0.00 -0.11 0.00 0.00 41.96 40.67 1ddj s TYR 774 CO 0.02 0.71 1.14 0.08 -1.11 0.00 0.00 175.55 176.39 1ddj s VAL 775 N -2.50 4.39 -0.41 0.71 1.01 -0.98 -1.12 120.40 121.51 1ddj s VAL 775 Ca 0.30 1.70 -0.29 0.00 0.00 0.00 0.00 61.98 63.70 1ddj s VAL 775 Cb -0.05 -4.09 0.01 0.00 0.00 0.00 0.00 36.38 32.25 1ddj s VAL 775 CO 0.15 0.04 1.34 -0.60 0.00 0.00 0.00 175.10 176.04 1ddj s ARG 776 N 1.83 3.65 0.31 2.72 3.52 -0.01 -2.28 118.95 128.68 1ddj s ARG 776 Ca 0.54 0.90 -0.01 0.00 -0.13 0.00 0.00 55.73 57.04 1ddj s ARG 776 Cb -0.24 -3.98 0.49 0.00 -1.56 0.00 0.00 34.95 29.66 1ddj s ARG 776 CO 0.23 -1.47 1.96 0.28 -0.81 0.00 0.00 175.30 175.48 1ddj h VAL 777 N 6.36 1.16 -0.62 7.11 2.07 -1.43 -2.92 116.25 127.97 1ddj h VAL 777 Ca -0.26 -0.36 0.10 0.00 0.82 0.00 0.00 66.70 66.99 1ddj h VAL 777 Cb 1.10 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 1ddj h VAL 777 CO 1.09 0.19 0.42 0.77 0.02 0.00 0.00 177.57 180.06 1ddj h SER 778 N 1.06 0.39 0.00 0.57 4.64 -1.85 0.79 113.55 119.15 1ddj h SER 778 Ca 0.32 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 1ddj h SER 778 Cb -0.02 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 1ddj h SER 778 CO -0.09 0.24 0.00 0.54 -0.87 0.00 0.00 176.83 176.65 1ddj n ARG 779 N -4.47 0.72 0.00 4.77 5.12 -1.10 -1.55 116.66 120.14 1ddj n ARG 779 Ca 0.10 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.02 1ddj n ARG 779 Cb 0.37 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 30.18 1ddj n ARG 779 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 1ddj n PHE 780 N -0.99 0.00 -0.21 -1.55 3.01 0.23 -4.77 117.46 113.18 1ddj n PHE 780 Ca 0.17 -0.09 -0.06 0.00 1.01 0.00 0.00 57.45 58.48 1ddj n PHE 780 Cb 0.08 -0.01 0.04 0.00 -0.01 0.00 0.00 39.48 39.58 1ddj n PHE 780 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1ddj h VAL 781 N 0.45 1.13 0.24 -4.37 2.07 -1.21 0.34 116.25 114.89 1ddj h VAL 781 Ca 0.00 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 1ddj h VAL 781 Cb 0.28 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1ddj h VAL 781 CO 0.00 0.14 -0.11 0.74 0.02 0.00 0.00 177.57 178.36 1ddj h THR 782 N 0.78 0.77 -0.26 2.57 2.02 -1.86 0.37 112.91 117.30 1ddj h THR 782 Ca 0.22 -0.03 0.03 0.00 0.77 0.00 0.00 66.41 67.40 1ddj h THR 782 Cb -0.06 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 67.11 1ddj h THR 782 CO -0.06 0.01 0.09 -0.25 0.37 0.00 0.00 175.52 175.68 1ddj h TRP 783 N -0.33 0.17 0.04 3.16 7.01 -1.83 -0.35 115.95 123.81 1ddj h TRP 783 Ca -0.03 0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.01 1ddj h TRP 783 Cb 0.26 -0.04 -0.05 0.00 -2.10 0.00 0.00 29.16 27.23 1ddj h TRP 783 CO -0.06 0.08 -0.43 0.82 -2.79 0.00 0.00 178.44 176.06 1ddj h ILE 784 N 0.21 0.13 0.00 2.65 2.04 0.01 -1.27 117.51 121.28 1ddj h ILE 784 Ca 0.11 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.92 1ddj h ILE 784 Cb 0.07 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.28 1ddj h ILE 784 CO -0.11 0.00 -0.24 -0.33 0.00 0.00 0.00 178.15 177.46 1ddj h GLU 785 N -0.61 0.00 -0.25 2.37 5.08 -0.83 -1.91 114.58 118.43 1ddj h GLU 785 Ca 0.04 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1ddj h GLU 785 Cb 0.67 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 1ddj h GLU 785 CO -0.30 0.24 0.02 0.78 -1.00 0.00 0.00 179.01 178.75 1ddj h GLY 786 N 1.01 0.46 1.08 -3.84 0.00 -0.41 -2.32 103.07 99.05 1ddj h GLY 786 Ca -0.00 -0.32 -0.05 0.00 0.00 0.00 0.00 47.33 46.96 1ddj h GLY 786 CO 0.03 0.30 0.29 -2.08 0.00 0.00 0.00 176.54 175.08 1ddj h VAL 787 N 0.22 1.26 -0.32 4.60 2.07 -0.88 -1.57 116.25 121.63 1ddj h VAL 787 Ca 0.07 -0.85 -0.02 0.00 0.82 0.00 0.00 66.70 66.73 1ddj h VAL 787 Cb 0.37 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 1ddj h VAL 787 CO 0.01 0.34 0.13 0.24 0.02 0.00 0.00 177.57 178.31 1ddj h MET 788 N 1.13 0.48 0.00 1.57 2.07 -1.23 -2.58 114.93 116.38 1ddj h MET 788 Ca 0.26 -0.09 -0.13 0.00 -2.07 0.00 0.00 59.70 57.67 1ddj h MET 788 Cb 0.24 -0.08 -0.02 0.00 -1.87 0.00 0.00 31.60 29.88 1ddj h MET 788 CO -0.02 0.48 -0.61 0.07 1.07 0.00 0.00 176.91 177.91 1ddj h ARG 789 N 0.37 0.00 -0.01 1.72 0.11 -1.37 -3.27 114.38 111.94 1ddj h ARG 789 Ca 0.11 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.19 1ddj h ARG 789 Cb 0.18 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.26 1ddj h ARG 789 CO -0.01 0.61 -0.14 0.09 0.10 0.00 0.00 179.97 180.62 1ddj n ASN 790 N -3.35 0.88 0.00 0.08 3.02 -0.60 -5.12 115.26 110.18 1ddj n ASN 790 Ca 0.01 -0.91 0.00 0.00 -0.03 0.00 0.00 54.58 53.65 1ddj n ASN 790 Cb 0.74 0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.94 1ddj n ASN 790 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23