#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 1.20 0.72 1.43 0.40 -1.26 -5.14 117.98 115.33 1ddj s PHE 546 Ca 0.00 -0.94 -0.11 0.00 -0.60 0.00 0.00 56.93 55.28 1ddj s PHE 546 Cb 0.00 -1.09 0.02 0.00 0.51 0.00 0.00 43.02 42.46 1ddj s PHE 546 CO 0.00 -0.62 1.07 -0.51 0.70 0.00 0.00 175.22 175.86 1ddj s ASP 547 N 1.80 5.06 0.59 1.36 1.01 -1.26 -4.90 116.67 120.34 1ddj s ASP 547 Ca -0.01 1.72 -0.15 0.00 0.71 0.00 0.00 52.55 54.81 1ddj s ASP 547 Cb -0.17 -2.51 -0.04 0.00 1.01 0.00 0.00 42.92 41.21 1ddj s ASP 547 CO -0.08 -1.66 1.04 0.00 0.21 0.00 0.00 175.17 174.69 1ddj n GLY 549 N -1.37 1.20 2.91 0.00 0.00 -0.62 -4.63 105.19 102.67 1ddj n GLY 549 Ca 0.08 -0.22 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.83 1.46 0.49 1.61 1.02 -1.25 0.01 119.74 120.24 1ddj s LYS 550 Ca 0.00 -1.96 -0.23 0.00 0.02 0.00 0.00 55.97 53.80 1ddj s LYS 550 Cb 0.00 -2.90 -0.06 0.00 -0.52 0.00 0.00 37.83 34.34 1ddj s LYS 550 CO 0.00 -1.03 1.27 -2.14 -0.92 0.00 0.00 175.35 172.53 1ddj s PRO 551 N 0.62 3.50 0.00 -1.68 0.02 -1.26 -4.91 135.00 131.29 1ddj s PRO 551 Ca 0.13 2.03 0.25 0.00 0.02 0.00 0.00 61.00 63.44 1ddj s PRO 551 Cb -0.21 -2.38 0.50 0.00 0.02 0.00 0.00 34.50 32.42 1ddj s PRO 551 CO -0.07 -0.84 1.40 1.04 -0.33 0.00 0.00 177.00 178.20 1ddj n GLN 552 N -0.65 0.44 -4.02 5.54 1.13 -1.26 -4.63 117.38 113.92 1ddj n GLN 552 Ca 0.08 -0.28 -0.31 0.00 -1.94 0.00 0.00 57.00 54.55 1ddj n GLN 552 Cb 0.46 -1.49 -0.16 0.00 0.11 0.00 0.00 30.24 29.16 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 -2.76 1.83 0.12 5.09 1.01 -1.26 -5.09 120.40 119.33 1ddj s VAL 553 Ca 0.17 -1.24 -0.34 0.00 0.00 0.00 0.00 61.98 60.57 1ddj s VAL 553 Cb 0.18 -1.92 -0.13 0.00 0.00 0.00 0.00 36.38 34.51 1ddj s VAL 553 CO 0.63 0.10 1.65 -0.62 0.00 0.00 0.00 175.10 176.86 1ddj n GLU 554 N 4.60 2.20 -1.90 2.72 4.71 -1.26 -4.18 120.64 127.53 1ddj n GLU 554 Ca -0.15 0.80 -0.36 0.00 -0.01 0.00 0.00 57.16 57.43 1ddj n GLU 554 Cb 0.45 -2.59 0.05 0.00 -1.01 0.00 0.00 31.44 28.34 1ddj n GLU 554 CO 0.00 0.00 0.00 -2.14 0.09 0.00 0.00 177.13 175.08 1ddj s PRO 555 N 1.56 2.82 0.16 3.49 0.02 -1.26 -4.84 135.00 136.94 1ddj s PRO 555 Ca 0.81 1.94 -0.13 0.00 0.02 0.00 0.00 61.00 63.64 1ddj s PRO 555 Cb -0.67 -1.91 0.05 0.00 0.02 0.00 0.00 34.50 31.99 1ddj s PRO 555 CO 0.40 -1.36 1.69 -0.22 -0.33 0.00 0.00 177.00 177.18 1ddj h LYS 556 N 0.78 0.83 -3.66 5.54 3.64 -1.91 -3.48 116.57 118.31 1ddj h LYS 556 Ca -0.51 -0.18 -0.08 0.00 -1.27 0.00 0.00 60.65 58.62 1ddj h LYS 556 Cb 1.31 -0.12 0.06 0.00 -0.41 0.00 0.00 32.23 33.07 1ddj h LYS 556 CO 0.54 0.76 -0.25 1.63 -2.27 0.00 0.00 179.45 179.87 1ddj n LYS 557 N -4.46 -0.80 -1.65 1.90 5.02 -1.26 -4.92 118.16 111.98 1ddj n LYS 557 Ca 0.02 0.26 -0.58 0.00 -2.02 0.00 0.00 58.31 55.99 1ddj n LYS 557 Cb 0.20 -2.86 -0.08 0.00 -0.02 0.00 0.00 35.03 32.27 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 1.90 3.66 0.36 0.00 0.02 -1.26 -3.95 135.00 135.74 1ddj s PRO 559 Ca 0.94 2.29 0.11 0.00 0.02 0.00 0.00 61.00 64.36 1ddj s PRO 559 Cb -1.16 -2.60 0.87 0.00 0.02 0.00 0.00 34.50 31.64 1ddj s PRO 559 CO 0.62 -0.79 1.85 0.78 -0.33 0.00 0.00 177.00 179.13 1ddj h GLY 560 N 2.25 1.20 2.00 0.52 0.00 -1.89 0.25 103.07 107.40 1ddj h GLY 560 Ca -0.50 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 46.55 1ddj h GLY 560 CO 0.61 0.05 0.00 0.07 0.00 0.00 0.00 176.54 177.26 1ddj h ARG 561 N 0.63 0.00 -3.08 4.80 0.11 -1.91 -3.16 114.38 111.77 1ddj h ARG 561 Ca 0.47 0.00 -0.76 0.00 0.10 0.00 0.00 59.98 59.79 1ddj h ARG 561 Cb 0.85 0.00 -0.16 0.00 1.11 0.00 0.00 29.97 31.78 1ddj h ARG 561 CO -0.22 0.00 2.04 0.28 0.10 0.00 0.00 179.97 182.17 1ddj n VAL 562 N -2.80 4.82 0.12 0.08 0.31 0.89 -4.72 118.33 117.03 1ddj n VAL 562 Ca -0.01 -4.55 0.01 0.00 -0.01 0.00 0.00 64.34 59.79 1ddj n VAL 562 Cb 0.18 -2.20 0.06 0.00 -0.91 0.00 0.00 33.84 30.96 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 2.46 0.89 0.22 2.52 0.24 -1.20 -0.65 118.33 122.82 1ddj n VAL 563 Ca 0.47 0.22 0.12 0.00 -2.04 0.00 0.00 64.34 63.11 1ddj n VAL 563 Cb 0.31 -1.18 0.10 0.00 -1.47 0.00 0.00 33.84 31.61 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 0.40 0.00 0.00 7.63 0.00 -1.91 -3.40 103.07 105.79 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 -0.78 3.34 4.60 0.00 0.18 -5.03 105.19 108.68 1ddj n GLY 565 Ca 0.02 -1.64 -0.18 0.00 0.00 0.00 0.00 46.02 44.22 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 -3.27 4.28 0.59 0.00 1.01 -1.26 -0.10 120.40 121.65 1ddj s VAL 567 Ca 0.26 1.97 -0.11 0.00 0.00 0.00 0.00 61.98 64.10 1ddj s VAL 567 Cb 0.04 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 1ddj s VAL 567 CO 0.08 0.45 0.99 0.00 0.00 0.00 0.00 175.10 176.63 1ddj s ALA 568 N -0.83 3.14 0.11 5.51 0.00 0.34 -4.81 121.76 125.22 1ddj s ALA 568 Ca 0.41 -0.11 -0.31 0.00 0.00 0.00 0.00 51.96 51.95 1ddj s ALA 568 Cb -0.24 -3.02 -0.07 0.00 0.00 0.00 0.00 23.12 19.78 1ddj s ALA 568 CO 0.30 -0.59 1.33 -1.01 0.00 0.00 0.00 175.76 175.79 1ddj s HIS 569 N -3.05 3.30 -0.09 0.00 3.76 -1.26 -4.88 115.29 113.06 1ddj s HIS 569 Ca 0.54 1.07 -0.38 0.00 -0.15 0.00 0.00 55.06 56.14 1ddj s HIS 569 Cb -0.11 -3.61 -0.16 0.00 1.11 0.00 0.00 32.58 29.81 1ddj s HIS 569 CO 0.50 -2.05 1.53 -2.30 -0.85 0.00 0.00 174.74 171.57 1ddj n PRO 570 N 3.77 1.12 -2.06 8.40 -0.02 -1.26 -2.09 135.00 142.87 1ddj n PRO 570 Ca 0.10 0.41 -0.14 0.00 -2.02 0.00 0.00 63.50 61.85 1ddj n PRO 570 Cb 0.43 -2.07 -0.02 0.00 -0.02 0.00 0.00 33.50 31.83 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 3.87 -0.50 0.66 6.00 8.25 -1.26 -4.89 115.22 127.34 1ddj n HIS 571 Ca 0.22 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.80 1ddj n HIS 571 Cb 0.16 -2.82 0.19 0.00 1.12 0.00 0.00 29.99 28.64 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 -0.50 0.64 -3.50 0.41 3.41 -0.89 -4.08 113.62 109.12 1ddj n SER 572 Ca -0.16 0.05 -0.27 0.00 -0.26 0.00 0.00 58.87 58.24 1ddj n SER 572 Cb 0.58 0.19 -0.09 0.00 -0.26 0.00 0.00 64.21 64.63 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 -1.98 2.89 0.27 7.33 7.02 -1.26 -4.59 117.44 127.12 1ddj n TRP 573 Ca 0.04 -4.09 0.11 0.00 -1.02 0.00 0.00 57.50 52.54 1ddj n TRP 573 Cb 0.42 -0.51 0.51 0.00 -2.42 0.00 0.00 31.31 29.30 1ddj n TRP 573 CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32 1ddj n PRO 574 N 1.25 0.15 0.00 -0.99 -0.04 -1.26 -1.72 135.00 132.40 1ddj n PRO 574 Ca 0.27 0.52 0.12 0.00 -0.04 0.00 0.00 63.50 64.37 1ddj n PRO 574 Cb 0.41 -1.88 0.29 0.00 -0.04 0.00 0.00 33.50 32.29 1ddj n PRO 574 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1ddj n TRP 575 N -2.19 0.00 -1.77 0.54 2.14 -0.93 -2.57 117.44 112.67 1ddj n TRP 575 Ca 0.00 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.15 1ddj n TRP 575 Cb 0.13 -0.12 -0.03 0.00 -0.81 0.00 0.00 31.31 30.48 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 -2.58 4.00 0.14 -2.67 2.00 -0.70 -1.03 119.66 118.82 1ddj s GLN 576 Ca 0.21 2.38 0.05 0.00 -2.00 0.00 0.00 55.36 56.01 1ddj s GLN 576 Cb 0.19 -4.14 -0.04 0.00 0.80 0.00 0.00 33.01 29.82 1ddj s GLN 576 CO 0.56 -1.09 0.06 0.08 -0.50 0.00 0.00 175.29 174.40 1ddj s VAL 577 N 4.88 4.16 -0.23 1.34 1.01 -0.39 -4.31 120.40 126.87 1ddj s VAL 577 Ca 0.85 -1.12 0.02 0.00 0.00 0.00 0.00 61.98 61.73 1ddj s VAL 577 Cb -0.38 -3.07 0.05 0.00 0.00 0.00 0.00 36.38 32.98 1ddj s VAL 577 CO 0.37 -0.02 -0.10 -0.55 0.00 0.00 0.00 175.10 174.80 1ddj s SER 578 N -2.78 3.83 -0.13 3.32 0.15 -0.89 -2.59 113.70 114.62 1ddj s SER 578 Ca 0.28 -1.11 -0.25 0.00 0.70 0.00 0.00 55.95 55.57 1ddj s SER 578 Cb -0.10 -1.34 -0.02 0.00 -1.71 0.00 0.00 66.02 62.84 1ddj s SER 578 CO 0.21 -0.17 0.82 -0.22 1.20 0.00 0.00 173.24 175.07 1ddj s LEU 579 N 1.29 4.23 0.17 3.45 2.96 0.36 -1.12 118.68 130.02 1ddj s LEU 579 Ca -0.04 1.23 0.07 0.00 -0.22 0.00 0.00 54.13 55.16 1ddj s LEU 579 Cb -0.18 -3.23 -0.04 0.00 0.50 0.00 0.00 46.19 43.23 1ddj s LEU 579 CO -0.07 -0.32 -0.14 -0.13 -1.32 0.00 0.00 176.35 174.37 1ddj s ARG 580 N 1.70 1.22 0.99 1.98 0.52 -0.15 -1.53 118.95 123.69 1ddj s ARG 580 Ca 0.40 -1.48 -0.12 0.00 -0.52 0.00 0.00 55.73 54.01 1ddj s ARG 580 Cb -0.17 -1.01 0.19 0.00 0.52 0.00 0.00 34.95 34.47 1ddj s ARG 580 CO 0.15 0.17 1.08 0.95 0.02 0.00 0.00 175.30 177.68 1ddj s THR 581 N -2.77 2.26 0.31 0.02 -4.23 -0.35 -1.46 115.64 109.42 1ddj s THR 581 Ca 0.18 0.09 0.33 0.00 -1.18 0.00 0.00 61.69 61.11 1ddj s THR 581 Cb -0.01 -2.46 0.33 0.00 1.34 0.00 0.00 72.50 71.70 1ddj s THR 581 CO 0.05 -0.11 2.02 0.08 -0.54 0.00 0.00 174.62 176.12 1ddj h ARG 582 N -1.93 0.00 -0.54 3.99 0.11 -1.78 -1.44 114.38 112.80 1ddj h ARG 582 Ca -0.54 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.54 1ddj h ARG 582 Cb 1.31 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.39 1ddj h ARG 582 CO 0.54 0.00 0.00 1.19 0.10 0.00 0.00 179.97 181.80 1ddj n PHE 583 N -2.70 0.71 -0.11 4.08 0.99 -1.26 -4.97 117.46 114.20 1ddj n PHE 583 Ca -0.02 -0.40 0.00 0.00 -0.00 0.00 0.00 57.45 57.03 1ddj n PHE 583 Cb 0.09 -0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.57 1ddj n PHE 583 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1ddj n GLY 584 N 1.40 0.94 3.73 1.37 0.00 -0.54 -5.08 105.19 107.02 1ddj n GLY 584 Ca 0.20 -0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.83 4.39 0.20 1.61 0.00 -1.26 -4.84 119.30 118.58 1ddj s MET 585 Ca 0.00 0.74 -0.30 0.00 0.00 0.00 0.00 55.69 56.13 1ddj s MET 585 Cb 0.00 -3.42 -0.08 0.00 0.00 0.00 0.00 34.83 31.33 1ddj s MET 585 CO 0.00 0.16 1.11 -1.58 0.00 0.00 0.00 175.02 174.72 1ddj s HIS 586 N 0.50 3.57 0.00 4.11 2.46 -1.26 -1.21 115.29 123.47 1ddj s HIS 586 Ca 0.33 1.60 0.00 0.00 0.47 0.00 0.00 55.06 57.46 1ddj s HIS 586 Cb -0.17 -3.30 0.00 0.00 -0.13 0.00 0.00 32.58 28.98 1ddj s HIS 586 CO 0.16 -0.67 0.00 1.97 -2.47 0.00 0.00 174.74 173.74 1ddj n PHE 587 N 2.09 0.00 -3.72 3.88 1.16 -0.58 -4.95 117.46 115.34 1ddj n PHE 587 Ca 0.02 0.00 -0.04 0.00 -1.87 0.00 0.00 57.45 55.56 1ddj n PHE 587 Cb 0.46 0.03 -0.01 0.00 -1.61 0.00 0.00 39.48 38.34 1ddj n PHE 587 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1ddj s GLY 589 N -2.88 2.58 0.01 0.00 0.00 0.58 -0.49 107.32 107.13 1ddj s GLY 589 Ca 0.11 -0.87 -0.29 0.00 0.00 0.00 0.00 44.72 43.68 1ddj s GLY 589 CO 0.01 -2.03 1.25 -0.32 0.00 0.00 0.00 173.10 172.01 1ddj s GLY 590 N -4.21 -0.23 -0.04 0.20 0.00 -1.07 -4.10 107.32 97.87 1ddj s GLY 590 Ca 0.24 0.29 0.00 0.00 0.00 0.00 0.00 44.72 45.25 1ddj s GLY 590 CO 0.15 2.71 -0.00 -1.59 0.00 0.00 0.00 173.10 174.37 1ddj s THR 591 N -2.25 0.23 -0.17 0.90 2.01 -0.10 -1.26 115.64 115.00 1ddj s THR 591 Ca 0.21 0.09 -0.29 0.00 0.31 0.00 0.00 61.69 62.01 1ddj s THR 591 Cb 0.02 -0.34 -0.02 0.00 0.01 0.00 0.00 72.50 72.17 1ddj s THR 591 CO -0.01 0.17 1.38 -0.22 -0.69 0.00 0.00 174.62 175.25 1ddj s LEU 592 N 1.23 4.13 -0.01 4.42 2.96 -0.20 -1.13 118.68 130.08 1ddj s LEU 592 Ca -0.07 1.70 0.14 0.00 -0.22 0.00 0.00 54.13 55.68 1ddj s LEU 592 Cb -0.13 -3.54 -0.19 0.00 0.50 0.00 0.00 46.19 42.83 1ddj s LEU 592 CO -0.02 -0.90 0.40 2.30 -1.32 0.00 0.00 176.35 176.82 1ddj n ILE 593 N 5.64 0.00 -3.56 6.68 -5.35 -0.79 -0.61 119.36 121.37 1ddj n ILE 593 Ca 0.15 -0.27 -0.09 0.00 -0.27 0.00 0.00 62.75 62.27 1ddj n ILE 593 Cb 0.45 0.49 -0.02 0.00 -1.74 0.00 0.00 39.64 38.82 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 -3.09 -0.42 0.42 7.28 1.04 -1.16 -4.65 113.70 113.12 1ddj s SER 594 Ca -0.01 -0.15 0.21 0.00 0.48 0.00 0.00 55.95 56.47 1ddj s SER 594 Cb 0.09 0.56 1.16 0.00 0.10 0.00 0.00 66.02 67.93 1ddj s SER 594 CO 0.57 -0.94 1.80 -0.65 0.98 0.00 0.00 173.24 175.00 1ddj h PRO 595 N 2.00 0.33 -0.01 4.02 0.11 -1.96 -2.36 132.00 134.13 1ddj h PRO 595 Ca -0.27 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1ddj h PRO 595 Cb 1.27 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1ddj h PRO 595 CO 0.32 0.22 -0.38 0.39 -0.21 0.00 0.00 178.00 178.33 1ddj n GLU 596 N -4.53 1.69 -5.12 1.05 1.02 -1.26 -0.34 120.64 113.15 1ddj n GLU 596 Ca 0.23 -0.72 -0.29 0.00 -0.02 0.00 0.00 57.16 56.37 1ddj n GLU 596 Cb 0.87 -1.27 -0.16 0.00 -0.02 0.00 0.00 31.44 30.86 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 -1.98 2.03 -0.05 -0.32 0.52 -0.89 0.47 118.94 118.72 1ddj s TRP 597 Ca 0.13 -0.39 0.04 0.00 0.02 0.00 0.00 56.10 55.89 1ddj s TRP 597 Cb 0.13 -1.31 -0.00 0.00 -1.15 0.00 0.00 33.47 31.14 1ddj s TRP 597 CO 0.44 -0.04 -0.17 0.08 0.02 0.00 0.00 176.95 177.27 1ddj s VAL 598 N -0.51 1.46 -0.19 4.03 1.01 0.07 -1.88 120.40 124.39 1ddj s VAL 598 Ca 0.08 -0.72 -0.08 0.00 0.00 0.00 0.00 61.98 61.27 1ddj s VAL 598 Cb -0.09 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 1ddj s VAL 598 CO -0.01 0.42 0.07 -0.22 0.00 0.00 0.00 175.10 175.37 1ddj s LEU 599 N 0.16 3.84 0.00 3.92 2.96 -0.28 -0.32 118.68 128.96 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 -0.13 -1.98 0.00 0.00 0.50 0.00 0.00 46.19 44.58 1ddj s LEU 599 CO 0.03 0.15 0.00 1.07 -1.32 0.00 0.00 176.35 176.29 1ddj n THR 600 N 3.67 0.00 -4.14 3.68 5.66 -0.19 -0.93 114.28 122.03 1ddj n THR 600 Ca -0.16 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.48 1ddj n THR 600 Cb 0.52 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.22 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 -2.00 3.54 0.46 1.79 0.00 -1.26 -1.03 121.76 123.26 1ddj s ALA 601 Ca 0.00 -0.73 0.13 0.00 0.00 0.00 0.00 51.96 51.36 1ddj s ALA 601 Cb 0.00 -1.71 1.05 0.00 0.00 0.00 0.00 23.12 22.46 1ddj s ALA 601 CO 0.00 0.58 2.06 0.00 0.00 0.00 0.00 175.76 178.39 1ddj h ALA 602 N 5.18 1.79 -0.70 0.00 0.00 -1.73 -1.96 119.26 121.85 1ddj h ALA 602 Ca -0.52 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 54.39 1ddj h ALA 602 Cb 1.21 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.90 1ddj h ALA 602 CO 0.57 0.16 0.46 1.25 0.00 0.00 0.00 179.25 181.69 1ddj h HIS 603 N 0.13 0.68 -0.13 0.00 -0.00 -1.91 -1.27 115.15 112.64 1ddj h HIS 603 Ca 0.03 0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.39 1ddj h HIS 603 Cb 0.13 -0.22 -0.01 0.00 -0.00 0.00 0.00 27.41 27.31 1ddj h HIS 603 CO 0.00 0.34 -0.04 0.00 -0.00 0.00 0.00 177.93 178.23 1ddj n LEU 605 N -4.38 1.78 -0.28 0.00 4.77 -0.50 -4.49 117.00 113.91 1ddj n LEU 605 Ca -0.01 -0.59 0.17 0.00 -0.03 0.00 0.00 56.01 55.55 1ddj n LEU 605 Cb 0.19 -0.01 0.45 0.00 -2.33 0.00 0.00 43.42 41.71 1ddj n LEU 605 CO 0.36 0.30 1.22 -0.33 -1.33 0.00 0.00 177.39 177.61 1ddj h GLU 606 N 2.75 0.52 0.00 3.23 5.08 -1.19 -2.44 114.58 122.52 1ddj h GLU 606 Ca 0.00 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 1ddj h GLU 606 Cb 0.61 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1ddj h GLU 606 CO 0.00 0.34 -0.17 0.87 -1.00 0.00 0.00 179.01 179.05 1ddj h LYS 607 N 0.53 0.00 -2.82 2.33 1.79 -1.81 -3.45 116.57 113.14 1ddj h LYS 607 Ca 0.50 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 58.83 1ddj h LYS 607 Cb 1.06 0.00 -0.26 0.00 -1.58 0.00 0.00 32.23 31.45 1ddj h LYS 607 CO -0.23 0.17 -0.32 0.45 -1.08 0.00 0.00 179.45 178.44 1ddj s SER 608 N -6.10 -0.40 0.23 0.86 0.15 -0.92 -5.02 113.70 102.49 1ddj s SER 608 Ca 0.02 0.75 0.24 0.00 0.70 0.00 0.00 55.95 57.65 1ddj s SER 608 Cb 0.09 0.70 0.29 0.00 -1.71 0.00 0.00 66.02 65.39 1ddj s SER 608 CO 0.63 -0.15 1.35 1.55 1.20 0.00 0.00 173.24 177.81 1ddj h PRO 609 N 6.21 0.00 -6.00 5.44 0.13 -1.88 -3.46 132.00 132.44 1ddj h PRO 609 Ca -0.31 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.24 1ddj h PRO 609 Cb 1.18 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.25 1ddj h PRO 609 CO 0.30 0.00 0.58 1.03 -0.23 0.00 0.00 178.00 179.67 1ddj s ARG 610 N -3.23 4.28 0.58 0.86 0.52 -1.26 -4.89 118.95 115.81 1ddj s ARG 610 Ca 0.05 1.17 0.28 0.00 -0.52 0.00 0.00 55.73 56.71 1ddj s ARG 610 Cb 0.10 -3.61 1.63 0.00 0.52 0.00 0.00 34.95 33.59 1ddj s ARG 610 CO 0.72 -0.47 2.10 -1.35 0.02 0.00 0.00 175.30 176.31 1ddj h PRO 611 N 7.42 0.00 0.00 3.54 0.11 -1.88 -0.90 132.00 140.29 1ddj h PRO 611 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1ddj h PRO 611 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1ddj h PRO 611 CO 0.90 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.56 1ddj n SER 612 N -3.88 0.00 -0.25 -2.05 3.41 -1.25 -2.24 113.62 107.36 1ddj n SER 612 Ca 0.02 0.40 0.15 0.00 -0.26 0.00 0.00 58.87 59.18 1ddj n SER 612 Cb 0.33 -0.45 0.65 0.00 -0.26 0.00 0.00 64.21 64.48 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 -1.45 0.81 -4.30 4.04 7.64 -0.34 -4.76 113.62 115.25 1ddj n SER 613 Ca 0.04 -1.11 -0.24 0.00 1.01 0.00 0.00 58.87 58.57 1ddj n SER 613 Cb 0.15 -0.01 -0.12 0.00 -1.01 0.00 0.00 64.21 63.22 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 -2.14 1.85 0.01 1.43 1.51 -0.95 -2.43 117.35 116.63 1ddj s TYR 614 Ca 0.38 -0.42 0.01 0.00 -1.01 0.00 0.00 57.07 56.03 1ddj s TYR 614 Cb 0.21 -1.00 -0.01 0.00 -0.11 0.00 0.00 41.96 41.05 1ddj s TYR 614 CO 0.39 0.23 -0.03 0.15 -1.11 0.00 0.00 175.55 175.18 1ddj s LYS 615 N -2.02 0.27 -0.10 -0.62 1.02 -0.54 -2.35 119.74 115.40 1ddj s LYS 615 Ca 0.08 -0.34 0.01 0.00 0.02 0.00 0.00 55.97 55.74 1ddj s LYS 615 Cb -0.10 -0.11 -0.02 0.00 -0.52 0.00 0.00 37.83 37.08 1ddj s LYS 615 CO 0.05 0.02 -0.12 0.14 -0.92 0.00 0.00 175.35 174.52 1ddj s VAL 616 N -0.66 3.19 -0.23 3.17 -7.23 0.13 -0.97 120.40 117.80 1ddj s VAL 616 Ca -0.06 -0.64 -0.07 0.00 -1.81 0.00 0.00 61.98 59.41 1ddj s VAL 616 Cb -0.05 -2.32 -0.03 0.00 0.56 0.00 0.00 36.38 34.55 1ddj s VAL 616 CO -0.00 0.55 0.05 -0.63 -0.31 0.00 0.00 175.10 174.75 1ddj s ILE 617 N -0.05 4.24 -0.04 -0.62 1.09 -0.28 -1.69 121.20 123.85 1ddj s ILE 617 Ca -0.02 -0.20 0.05 0.00 -1.10 0.00 0.00 60.65 59.37 1ddj s ILE 617 Cb -0.14 -2.96 -0.02 0.00 -1.06 0.00 0.00 42.46 38.28 1ddj s ILE 617 CO 0.04 0.38 -0.17 -0.76 -0.10 0.00 0.00 174.94 174.33 1ddj s LEU 618 N 1.31 2.59 0.00 2.97 1.43 -0.07 -2.09 118.68 124.82 1ddj s LEU 618 Ca 0.05 -0.26 0.00 0.00 -1.03 0.00 0.00 54.13 52.88 1ddj s LEU 618 Cb -0.15 -1.51 0.00 0.00 0.03 0.00 0.00 46.19 44.57 1ddj s LEU 618 CO 0.03 0.34 0.00 0.61 0.23 0.00 0.00 176.35 177.55 1ddj n GLY 619 N 2.30 0.52 3.91 -3.19 0.00 -1.26 -1.90 105.19 105.56 1ddj n GLY 619 Ca -0.17 -0.25 -0.28 0.00 0.00 0.00 0.00 46.02 45.33 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 3.15 0.00 4.61 0.00 -1.26 -4.75 121.76 121.51 1ddj s ALA 620 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 51.38 1ddj s ALA 620 Cb 0.00 -2.75 0.00 0.00 0.00 0.00 0.00 23.12 20.37 1ddj s ALA 620 CO 0.00 -0.95 0.00 1.58 0.00 0.00 0.00 175.76 176.39 1ddj n HIS 621 N -2.75 0.00 -3.65 0.00 -0.00 -1.26 -4.68 115.22 102.89 1ddj n HIS 621 Ca 0.05 0.00 -0.35 0.00 0.46 0.00 0.00 57.72 57.89 1ddj n HIS 621 Cb 0.58 0.00 -0.05 0.00 -0.12 0.00 0.00 29.99 30.39 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 -1.01 3.69 -0.07 1.57 -1.52 -1.26 -1.52 119.66 119.54 1ddj s GLN 622 Ca 0.00 0.08 -0.24 0.00 -1.95 0.00 0.00 55.36 53.25 1ddj s GLN 622 Cb 0.00 -3.03 -0.29 0.00 -0.22 0.00 0.00 33.01 29.46 1ddj s GLN 622 CO 0.00 0.60 0.87 1.49 -0.25 0.00 0.00 175.29 178.00 1ddj h GLU 623 N 3.84 0.22 0.00 2.91 4.81 -0.55 -3.41 114.58 122.40 1ddj h GLU 623 Ca -0.49 -0.36 -0.28 0.00 -0.13 0.00 0.00 59.36 58.10 1ddj h GLU 623 Cb 1.19 0.13 -0.04 0.00 0.63 0.00 0.00 28.75 30.66 1ddj h GLU 623 CO 0.66 1.16 -1.73 0.28 -0.73 0.00 0.00 179.01 178.65 1ddj n VAL 624 N -4.28 1.51 -2.52 0.32 0.31 -1.26 -4.67 118.33 107.75 1ddj n VAL 624 Ca -0.12 -0.14 -0.43 0.00 -0.01 0.00 0.00 64.34 63.64 1ddj n VAL 624 Cb 0.71 -2.05 0.00 0.00 -0.91 0.00 0.00 33.84 31.59 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 -4.37 4.85 -4.70 4.52 4.13 -1.26 -4.97 115.26 113.45 1ddj n ASN 625 Ca -0.37 -2.93 -0.42 0.00 1.68 0.00 0.00 54.58 52.54 1ddj n ASN 625 Cb 0.71 -1.69 -0.03 0.00 -1.54 0.00 0.00 39.78 37.23 1ddj n ASN 625 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1ddj s LEU 626 N 3.21 4.37 0.81 3.41 1.43 -1.26 -4.55 118.68 126.10 1ddj s LEU 626 Ca 0.50 2.61 -0.14 0.00 -1.03 0.00 0.00 54.13 56.08 1ddj s LEU 626 Cb 0.04 -3.58 0.05 0.00 0.03 0.00 0.00 46.19 42.74 1ddj s LEU 626 CO 0.04 -0.89 0.93 -1.84 0.23 0.00 0.00 176.35 174.81 1ddj n GLU 627 N 4.89 0.13 0.04 1.70 0.00 -1.26 -4.92 120.64 121.22 1ddj n GLU 627 Ca 0.15 0.11 0.03 0.00 0.00 0.00 0.00 57.16 57.46 1ddj n GLU 627 Cb 0.39 -2.21 0.41 0.00 0.00 0.00 0.00 31.44 30.03 1ddj n GLU 627 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.13 176.13 1ddj h PRO 628 N -0.90 0.44 0.00 3.44 0.13 -1.98 -2.86 132.00 130.27 1ddj h PRO 628 Ca -0.46 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1ddj h PRO 628 Cb 1.31 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1ddj h PRO 628 CO 0.43 0.37 0.00 -2.39 -0.23 0.00 0.00 178.00 176.18 1ddj n HIS 629 N -4.41 0.11 -1.70 1.56 1.44 -1.26 -4.90 115.22 106.05 1ddj n HIS 629 Ca 0.02 0.03 -0.42 0.00 -2.01 0.00 0.00 57.72 55.34 1ddj n HIS 629 Cb 0.13 -0.55 -0.03 0.00 0.12 0.00 0.00 29.99 29.66 1ddj n HIS 629 CO 0.00 0.00 0.00 0.28 -2.81 0.00 0.00 176.34 173.81 1ddj n VAL 630 N -1.59 0.22 -3.42 0.61 0.31 -1.08 -4.98 118.33 108.40 1ddj n VAL 630 Ca 0.06 -0.04 -0.38 0.00 -0.01 0.00 0.00 64.34 63.97 1ddj n VAL 630 Cb 0.33 -2.07 -0.06 0.00 -0.91 0.00 0.00 33.84 31.13 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 2.10 4.06 -0.19 5.55 -0.21 -0.80 -4.92 119.66 125.24 1ddj s GLN 631 Ca 0.79 0.49 0.01 0.00 0.02 0.00 0.00 55.36 56.67 1ddj s GLN 631 Cb -0.49 -3.26 0.03 0.00 1.00 0.00 0.00 33.01 30.28 1ddj s GLN 631 CO 0.35 0.59 -0.17 -2.00 -2.12 0.00 0.00 175.29 171.94 1ddj s GLU 632 N -0.78 2.71 -0.06 2.91 2.12 -1.26 -0.89 118.70 123.45 1ddj s GLU 632 Ca 0.25 -0.88 0.02 0.00 0.36 0.00 0.00 54.97 54.72 1ddj s GLU 632 Cb -0.17 -2.55 0.01 0.00 0.26 0.00 0.00 34.13 31.68 1ddj s GLU 632 CO 0.14 -0.29 -0.12 0.42 -0.54 0.00 0.00 175.26 174.88 1ddj s ILE 633 N 1.29 1.07 0.35 -3.70 1.01 -0.68 -4.96 121.20 115.58 1ddj s ILE 633 Ca 0.02 -0.45 -0.27 0.00 0.00 0.00 0.00 60.65 59.95 1ddj s ILE 633 Cb -0.14 -0.97 -0.09 0.00 0.01 0.00 0.00 42.46 41.26 1ddj s ILE 633 CO -0.11 0.34 1.15 -0.70 0.00 0.00 0.00 174.94 175.62 1ddj s GLU 634 N 0.57 4.32 0.02 2.79 2.12 -1.26 -0.69 118.70 126.57 1ddj s GLU 634 Ca -0.12 1.85 -0.27 0.00 0.36 0.00 0.00 54.97 56.79 1ddj s GLU 634 Cb -0.14 -2.90 -0.04 0.00 0.26 0.00 0.00 34.13 31.30 1ddj s GLU 634 CO 0.03 -0.10 0.86 0.08 -0.54 0.00 0.00 175.26 175.60 1ddj s VAL 635 N -1.31 4.78 -0.24 3.70 1.01 -0.99 -0.09 120.40 127.26 1ddj s VAL 635 Ca 0.51 1.82 0.20 0.00 0.00 0.00 0.00 61.98 64.52 1ddj s VAL 635 Cb -0.32 -4.21 -0.29 0.00 0.00 0.00 0.00 36.38 31.57 1ddj s VAL 635 CO 0.40 0.27 0.53 -1.54 0.00 0.00 0.00 175.10 174.77 1ddj n SER 636 N 3.32 0.53 -3.72 3.32 3.41 -0.25 -3.89 113.62 116.35 1ddj n SER 636 Ca 0.01 -0.23 -0.14 0.00 -0.26 0.00 0.00 58.87 58.26 1ddj n SER 636 Cb 0.50 1.70 -0.08 0.00 -0.26 0.00 0.00 64.21 66.07 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 -3.26 0.70 -0.03 4.33 1.81 -1.17 -4.84 118.95 116.49 1ddj s ARG 637 Ca -0.04 0.02 0.07 0.00 -1.72 0.00 0.00 55.73 54.05 1ddj s ARG 637 Cb 0.13 0.32 -0.01 0.00 -0.45 0.00 0.00 34.95 34.94 1ddj s ARG 637 CO 0.83 -0.19 -0.23 -0.51 -0.68 0.00 0.00 175.30 174.52 1ddj s LEU 638 N -1.03 2.04 -0.28 2.53 1.43 -1.26 -2.10 118.68 120.00 1ddj s LEU 638 Ca -0.11 -0.44 -0.03 0.00 -1.03 0.00 0.00 54.13 52.52 1ddj s LEU 638 Cb -0.04 -1.23 0.10 0.00 0.03 0.00 0.00 46.19 45.05 1ddj s LEU 638 CO 0.05 0.26 0.16 -0.36 0.23 0.00 0.00 176.35 176.69 1ddj s PHE 639 N -0.37 0.16 0.30 0.29 0.40 -0.62 -5.00 117.98 113.13 1ddj s PHE 639 Ca 0.04 -0.70 -0.26 0.00 -0.60 0.00 0.00 56.93 55.41 1ddj s PHE 639 Cb -0.11 -0.80 -0.10 0.00 0.51 0.00 0.00 43.02 42.53 1ddj s PHE 639 CO 0.01 -0.82 0.91 -0.51 0.70 0.00 0.00 175.22 175.51 1ddj s LEU 640 N 2.15 4.38 0.27 -0.37 1.43 -1.26 -0.69 118.68 124.59 1ddj s LEU 640 Ca 0.09 1.80 -0.31 0.00 -1.03 0.00 0.00 54.13 54.68 1ddj s LEU 640 Cb -0.16 -3.90 -0.12 0.00 0.03 0.00 0.00 46.19 42.05 1ddj s LEU 640 CO -0.34 -0.02 1.65 -0.70 0.23 0.00 0.00 176.35 177.16 1ddj s GLU 641 N -1.92 4.11 0.66 1.70 -6.30 -0.84 -4.89 118.70 111.22 1ddj s GLU 641 Ca 0.48 2.60 0.35 0.00 -2.50 0.00 0.00 54.97 55.91 1ddj s GLU 641 Cb -0.19 -3.04 1.93 0.00 0.00 0.00 0.00 34.13 32.84 1ddj s GLU 641 CO 0.24 -0.69 2.10 -1.00 0.02 0.00 0.00 175.26 175.94 1ddj h PRO 642 N 5.51 0.00 -0.66 4.30 0.13 -1.93 -3.17 132.00 136.18 1ddj h PRO 642 Ca -0.46 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.24 1ddj h PRO 642 Cb 1.21 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.08 1ddj h PRO 642 CO 0.85 0.00 -0.06 0.25 -0.23 0.00 0.00 178.00 178.82 1ddj n THR 643 N -3.05 2.84 -1.42 1.56 -2.24 -1.26 -4.94 114.28 105.77 1ddj n THR 643 Ca -0.02 -3.22 -0.14 0.00 -2.27 0.00 0.00 64.05 58.39 1ddj n THR 643 Cb 0.27 -0.78 -0.06 0.00 -2.10 0.00 0.00 70.33 67.65 1ddj n THR 643 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1ddj n ARG 644 N -0.95 -1.14 -2.47 -0.78 1.74 -1.20 -5.00 116.66 106.87 1ddj n ARG 644 Ca 0.45 0.99 -0.31 0.00 -0.77 0.00 0.00 57.85 58.21 1ddj n ARG 644 Cb 0.96 -5.16 -0.03 0.00 -1.02 0.00 0.00 32.46 27.21 1ddj n ARG 644 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1ddj s LYS 645 N -3.17 3.87 -1.36 5.56 -0.14 -1.26 -4.95 119.74 118.29 1ddj s LYS 645 Ca 0.00 0.80 -0.14 0.00 -1.36 0.00 0.00 55.97 55.27 1ddj s LYS 645 Cb 0.00 -2.20 0.08 0.00 -1.68 0.00 0.00 37.83 34.03 1ddj s LYS 645 CO 0.00 -0.24 1.97 -3.47 -0.76 0.00 0.00 175.35 172.85 1ddj n ASP 646 N -1.62 4.49 -3.63 2.83 4.64 -1.26 -4.56 116.55 117.44 1ddj n ASP 646 Ca 0.05 -2.92 -0.13 0.00 -1.38 0.00 0.00 54.79 50.41 1ddj n ASP 646 Cb 0.54 -1.64 -0.07 0.00 -1.04 0.00 0.00 41.12 38.91 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 2.77 0.00 0.04 5.18 2.07 -1.26 -4.19 121.20 125.80 1ddj s ILE 647 Ca 0.47 0.00 -0.17 0.00 -1.41 0.00 0.00 60.65 59.54 1ddj s ILE 647 Cb 0.09 -1.00 0.03 0.00 0.13 0.00 0.00 42.46 41.71 1ddj s ILE 647 CO -0.02 0.00 0.39 0.00 -1.91 0.00 0.00 174.94 173.40 1ddj s ALA 648 N 0.40 -0.95 0.03 1.50 0.00 -0.20 -1.99 121.76 120.55 1ddj s ALA 648 Ca 0.00 0.28 0.03 0.00 0.00 0.00 0.00 51.96 52.28 1ddj s ALA 648 Cb -0.05 0.31 -0.04 0.00 0.00 0.00 0.00 23.12 23.34 1ddj s ALA 648 CO -0.01 -0.43 -0.03 -0.51 0.00 0.00 0.00 175.76 174.78 1ddj s LEU 649 N -1.93 3.33 -0.12 0.00 1.43 0.14 -1.02 118.68 120.51 1ddj s LEU 649 Ca -0.06 -0.13 0.01 0.00 -1.03 0.00 0.00 54.13 52.92 1ddj s LEU 649 Cb -0.01 -1.96 0.02 0.00 0.03 0.00 0.00 46.19 44.27 1ddj s LEU 649 CO -0.02 0.25 -0.13 -0.76 0.23 0.00 0.00 176.35 175.92 1ddj s LEU 650 N -1.71 1.59 0.02 1.79 1.43 0.56 -1.59 118.68 120.77 1ddj s LEU 650 Ca 0.20 -0.41 -0.17 0.00 -1.03 0.00 0.00 54.13 52.72 1ddj s LEU 650 Cb -0.11 -1.04 -0.06 0.00 0.03 0.00 0.00 46.19 45.01 1ddj s LEU 650 CO 0.11 -0.03 0.49 -0.75 0.23 0.00 0.00 176.35 176.40 1ddj s LYS 651 N 1.26 4.09 0.04 1.70 2.20 -0.89 -0.75 119.74 127.38 1ddj s LYS 651 Ca -0.01 0.56 -0.18 0.00 -0.36 0.00 0.00 55.97 55.97 1ddj s LYS 651 Cb -0.14 -3.26 -0.06 0.00 -1.51 0.00 0.00 37.83 32.86 1ddj s LYS 651 CO -0.05 0.60 0.52 -0.51 -0.36 0.00 0.00 175.35 175.55 1ddj s LEU 652 N -0.86 4.50 0.42 5.43 1.43 0.18 -1.09 118.68 128.68 1ddj s LEU 652 Ca 0.26 1.15 0.25 0.00 -1.03 0.00 0.00 54.13 54.77 1ddj s LEU 652 Cb -0.18 -2.80 1.39 0.00 0.03 0.00 0.00 46.19 44.63 1ddj s LEU 652 CO 0.15 0.27 1.76 0.77 0.23 0.00 0.00 176.35 179.54 1ddj h SER 653 N 4.74 0.00 -3.78 2.29 4.64 -0.79 -3.42 113.55 117.24 1ddj h SER 653 Ca -0.50 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.76 1ddj h SER 653 Cb 1.21 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 63.08 1ddj h SER 653 CO 0.64 0.00 -0.04 -0.94 -0.87 0.00 0.00 176.83 175.62 1ddj s SER 654 N -4.18 -0.65 0.22 4.97 1.04 -1.26 -4.99 113.70 108.85 1ddj s SER 654 Ca -0.03 1.21 -0.32 0.00 0.48 0.00 0.00 55.95 57.29 1ddj s SER 654 Cb 0.07 1.19 -0.14 0.00 0.10 0.00 0.00 66.02 67.25 1ddj s SER 654 CO 0.23 -0.21 1.30 -2.65 0.98 0.00 0.00 173.24 172.90 1ddj n PRO 655 N 3.07 1.71 -2.58 4.02 -0.02 -1.26 -4.85 135.00 135.08 1ddj n PRO 655 Ca -0.15 0.61 -0.41 0.00 -2.02 0.00 0.00 63.50 61.53 1ddj n PRO 655 Cb 0.56 -2.20 -0.05 0.00 -0.02 0.00 0.00 33.50 31.80 1ddj n PRO 655 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ddj s ALA 656 N -0.17 3.36 -0.35 3.55 0.00 0.54 -4.97 121.76 123.72 1ddj s ALA 656 Ca 0.69 0.76 -0.29 0.00 0.00 0.00 0.00 51.96 53.12 1ddj s ALA 656 Cb -0.72 -3.30 0.01 0.00 0.00 0.00 0.00 23.12 19.11 1ddj s ALA 656 CO 0.51 -0.08 1.26 0.08 0.00 0.00 0.00 175.76 177.53 1ddj s VAL 657 N -0.66 4.17 -0.44 0.00 1.01 -1.26 -4.78 120.40 118.44 1ddj s VAL 657 Ca 0.46 1.29 -0.28 0.00 0.00 0.00 0.00 61.98 63.45 1ddj s VAL 657 Cb -0.29 -4.27 -0.00 0.00 0.00 0.00 0.00 36.38 31.82 1ddj s VAL 657 CO 0.35 -0.60 1.63 -0.63 0.00 0.00 0.00 175.10 175.85 1ddj s ILE 658 N 4.45 3.64 0.00 2.22 -1.09 -1.26 -4.80 121.20 124.36 1ddj s ILE 658 Ca 0.54 0.60 0.00 0.00 -2.23 0.00 0.00 60.65 59.56 1ddj s ILE 658 Cb -0.14 -3.99 0.00 0.00 -1.58 0.00 0.00 42.46 36.75 1ddj s ILE 658 CO 0.25 -0.72 0.00 0.35 -1.23 0.00 0.00 174.94 173.58 1ddj n THR 659 N 7.19 0.00 1.12 2.92 -2.24 -0.33 -4.95 114.28 117.99 1ddj n THR 659 Ca 0.19 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.10 1ddj n THR 659 Cb 0.48 -0.23 0.44 0.00 -2.10 0.00 0.00 70.33 68.92 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 0.00 0.43 0.00 3.42 5.75 -1.26 -3.54 116.55 121.35 1ddj n ASP 660 Ca 0.00 -0.21 0.00 0.00 -0.01 0.00 0.00 54.79 54.57 1ddj n ASP 660 Cb 0.00 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.07 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 -1.29 2.12 -3.44 0.11 5.02 -1.26 -4.32 118.16 115.11 1ddj n LYS 661 Ca 0.09 -1.24 -0.18 0.00 -2.02 0.00 0.00 58.31 54.95 1ddj n LYS 661 Cb 0.32 -0.93 -0.11 0.00 -0.02 0.00 0.00 35.03 34.29 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 -0.75 -0.36 -0.04 -0.18 1.01 -1.23 -4.03 120.40 114.83 1ddj s VAL 662 Ca 0.00 -0.39 -0.04 0.00 0.00 0.00 0.00 61.98 61.55 1ddj s VAL 662 Cb 0.00 -0.89 0.01 0.00 0.00 0.00 0.00 36.38 35.50 1ddj s VAL 662 CO 0.00 -0.40 0.12 -0.63 0.00 0.00 0.00 175.10 174.19 1ddj s ILE 663 N 2.33 0.01 0.50 2.22 1.01 -1.06 -1.19 121.20 125.02 1ddj s ILE 663 Ca 0.09 -0.10 -0.20 0.00 0.00 0.00 0.00 60.65 60.44 1ddj s ILE 663 Cb -0.15 -0.21 -0.08 0.00 0.01 0.00 0.00 42.46 42.04 1ddj s ILE 663 CO -0.27 -0.06 1.04 -2.84 0.00 0.00 0.00 174.94 172.82 1ddj s PRO 664 N -0.14 3.74 0.52 2.79 0.02 -1.26 -2.19 135.00 138.49 1ddj s PRO 664 Ca -0.02 1.33 -0.06 0.00 0.02 0.00 0.00 61.00 62.27 1ddj s PRO 664 Cb -0.02 -2.09 -0.03 0.00 0.02 0.00 0.00 34.50 32.38 1ddj s PRO 664 CO 0.00 -0.48 0.84 0.00 -0.33 0.00 0.00 177.00 177.04 1ddj s ALA 665 N -2.05 3.33 0.47 -1.55 0.00 0.22 -1.59 121.76 120.58 1ddj s ALA 665 Ca 0.67 -0.45 -0.08 0.00 0.00 0.00 0.00 51.96 52.10 1ddj s ALA 665 Cb -0.16 -2.68 -0.05 0.00 0.00 0.00 0.00 23.12 20.23 1ddj s ALA 665 CO 0.22 -0.46 0.80 0.00 0.00 0.00 0.00 175.76 176.32 1ddj s LEU 667 N -4.44 3.25 0.71 0.00 1.43 -1.26 -0.59 118.68 117.79 1ddj s LEU 667 Ca 0.50 -0.31 -0.11 0.00 -1.03 0.00 0.00 54.13 53.17 1ddj s LEU 667 Cb -0.10 -2.00 0.02 0.00 0.03 0.00 0.00 46.19 44.14 1ddj s LEU 667 CO 0.41 0.16 1.10 -2.16 0.23 0.00 0.00 176.35 176.09 1ddj s PRO 668 N -2.39 2.74 0.57 1.29 0.04 -1.26 -4.92 135.00 131.06 1ddj s PRO 668 Ca 0.24 0.39 -0.16 0.00 0.04 0.00 0.00 61.00 61.52 1ddj s PRO 668 Cb -0.11 -2.02 -0.05 0.00 0.04 0.00 0.00 34.50 32.36 1ddj s PRO 668 CO 0.16 -1.10 1.03 -1.54 0.04 0.00 0.00 177.00 175.60 1ddj s SER 669 N -4.39 6.08 0.18 6.66 1.04 -1.26 -4.88 113.70 117.13 1ddj s SER 669 Ca 0.59 1.72 -0.32 0.00 0.48 0.00 0.00 55.95 58.41 1ddj s SER 669 Cb -0.11 -2.52 -0.16 0.00 0.10 0.00 0.00 66.02 63.33 1ddj s SER 669 CO 0.51 -0.96 1.10 -2.65 0.98 0.00 0.00 173.24 172.23 1ddj n PRO 670 N -1.90 1.05 -1.59 4.02 -0.02 -1.26 -1.91 135.00 133.39 1ddj n PRO 670 Ca 0.08 0.37 -0.12 0.00 -2.02 0.00 0.00 63.50 61.81 1ddj n PRO 670 Cb 0.53 -1.83 -0.04 0.00 -0.02 0.00 0.00 33.50 32.14 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 1.92 -3.30 -4.77 2.55 5.03 0.93 -4.92 115.26 112.71 1ddj n ASN 671 Ca 0.15 0.28 -0.40 0.00 0.87 0.00 0.00 54.58 55.47 1ddj n ASN 671 Cb 0.24 -3.05 -0.01 0.00 -1.02 0.00 0.00 39.78 35.94 1ddj n ASN 671 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1ddj s TYR 672 N -2.14 2.78 -0.37 3.10 5.04 -0.80 -4.95 117.35 120.00 1ddj s TYR 672 Ca 0.00 1.31 -0.03 0.00 -2.44 0.00 0.00 57.07 55.91 1ddj s TYR 672 Cb 0.00 -3.83 0.09 0.00 0.35 0.00 0.00 41.96 38.56 1ddj s TYR 672 CO 0.00 -2.43 0.13 0.08 -1.34 0.00 0.00 175.55 172.00 1ddj s VAL 673 N -1.16 3.24 0.09 3.14 1.01 -1.26 -4.73 120.40 120.72 1ddj s VAL 673 Ca 0.53 -1.77 -0.34 0.00 0.00 0.00 0.00 61.98 60.40 1ddj s VAL 673 Cb -0.42 -3.08 -0.13 0.00 0.00 0.00 0.00 36.38 32.74 1ddj s VAL 673 CO 0.56 -0.47 1.65 0.55 0.00 0.00 0.00 175.10 177.39 1ddj n VAL 674 N 4.62 0.15 -1.65 2.92 3.14 -1.26 -4.87 118.33 121.39 1ddj n VAL 674 Ca -0.06 -0.03 -0.40 0.00 -2.96 0.00 0.00 64.34 60.89 1ddj n VAL 674 Cb 0.42 -1.59 0.03 0.00 -1.06 0.00 0.00 33.84 31.64 1ddj n VAL 674 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ddj n ALA 675 N 4.22 0.58 -1.69 1.55 0.00 -1.26 -4.91 120.51 119.00 1ddj n ALA 675 Ca 0.19 0.14 -0.44 0.00 0.00 0.00 0.00 53.44 53.33 1ddj n ALA 675 Cb 0.28 -2.16 -0.02 0.00 0.00 0.00 0.00 19.45 17.55 1ddj n ALA 675 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ddj n ASP 676 N -0.22 3.07 -0.28 0.00 2.03 -1.26 -2.20 116.55 117.68 1ddj n ASP 676 Ca 0.11 1.15 -0.04 0.00 0.52 0.00 0.00 54.79 56.53 1ddj n ASP 676 Cb 0.43 -1.48 -0.02 0.00 -0.72 0.00 0.00 41.12 39.34 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 1.98 -0.62 -2.24 -0.67 1.74 0.34 -4.93 116.66 112.26 1ddj n ARG 677 Ca 0.10 0.46 -0.41 0.00 -0.77 0.00 0.00 57.85 57.24 1ddj n ARG 677 Cb 0.33 -4.14 -0.03 0.00 -1.02 0.00 0.00 32.46 27.61 1ddj n ARG 677 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1ddj s THR 678 N -1.95 3.16 -0.13 0.55 2.01 -0.94 -4.51 115.64 113.83 1ddj s THR 678 Ca 0.00 1.03 -0.28 0.00 0.31 0.00 0.00 61.69 62.75 1ddj s THR 678 Cb 0.00 -3.66 -0.01 0.00 0.01 0.00 0.00 72.50 68.84 1ddj s THR 678 CO 0.00 0.19 0.94 -1.61 -0.69 0.00 0.00 174.62 173.46 1ddj s GLU 679 N -0.73 4.37 0.35 4.92 0.41 -1.26 -0.54 118.70 126.22 1ddj s GLU 679 Ca 0.53 1.26 0.03 0.00 -0.41 0.00 0.00 54.97 56.38 1ddj s GLU 679 Cb -0.36 -3.56 -0.04 0.00 -1.78 0.00 0.00 34.13 28.39 1ddj s GLU 679 CO 0.42 -0.33 0.10 0.00 -0.49 0.00 0.00 175.26 174.96 1ddj s PHE 681 N -3.33 0.39 -0.22 0.00 0.40 0.12 -0.74 117.98 114.60 1ddj s PHE 681 Ca 0.31 -0.06 -0.07 0.00 -0.60 0.00 0.00 56.93 56.51 1ddj s PHE 681 Cb 0.06 -0.34 -0.03 0.00 0.51 0.00 0.00 43.02 43.21 1ddj s PHE 681 CO 0.15 -0.07 0.05 -1.50 0.70 0.00 0.00 175.22 174.55 1ddj s ILE 682 N 0.39 4.35 0.21 0.64 2.07 -0.84 -1.80 121.20 126.21 1ddj s ILE 682 Ca -0.04 -0.17 0.10 0.00 -1.41 0.00 0.00 60.65 59.13 1ddj s ILE 682 Cb -0.07 -3.00 -0.04 0.00 0.13 0.00 0.00 42.46 39.47 1ddj s ILE 682 CO -0.01 0.38 -0.12 0.42 -1.91 0.00 0.00 174.94 173.71 1ddj s THR 683 N 1.21 3.01 0.00 4.00 -4.23 -1.10 -2.30 115.64 116.23 1ddj s THR 683 Ca 0.04 -1.85 0.00 0.00 -1.18 0.00 0.00 61.69 58.71 1ddj s THR 683 Cb -0.14 -2.51 0.00 0.00 1.34 0.00 0.00 72.50 71.18 1ddj s THR 683 CO 0.03 -0.19 0.00 0.61 -0.54 0.00 0.00 174.62 174.53 1ddj n GLY 684 N -0.14 -0.41 0.14 3.99 0.00 -0.94 -4.09 105.19 103.73 1ddj n GLY 684 Ca -0.10 -1.35 -0.20 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.09 0.82 -1.64 1.61 8.01 -1.26 -0.75 117.44 123.14 1ddj n TRP 685 Ca 0.00 0.18 0.08 0.00 -1.31 0.00 0.00 57.50 56.45 1ddj n TRP 685 Cb 0.00 -1.11 -0.02 0.00 -2.01 0.00 0.00 31.31 28.17 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 2.06 -1.93 0.00 6.99 0.00 -1.22 -4.79 105.19 106.30 1ddj n GLY 686 Ca -0.37 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.35 1ddj n GLY 686 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1ddj n GLU 687 N -2.41 1.02 -3.71 1.61 0.28 -1.26 -4.99 120.64 111.18 1ddj n GLU 687 Ca 0.00 -0.05 -0.38 0.00 -0.16 0.00 0.00 57.16 56.58 1ddj n GLU 687 Cb 0.28 -0.32 -0.12 0.00 1.43 0.00 0.00 31.44 32.71 1ddj n GLU 687 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1ddj s THR 688 N -0.16 4.23 0.00 3.84 2.01 -1.26 -4.89 115.64 119.40 1ddj s THR 688 Ca 0.00 -0.63 0.00 0.00 0.31 0.00 0.00 61.69 61.37 1ddj s THR 688 Cb 0.00 -3.20 0.00 0.00 0.01 0.00 0.00 72.50 69.31 1ddj s THR 688 CO 0.00 0.04 0.00 0.00 -0.69 0.00 0.00 174.62 173.97 1ddj n GLN 689 N 4.92 4.16 0.00 4.92 3.00 -1.26 -5.09 117.38 128.02 1ddj n GLN 689 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.85 1ddj n GLN 689 Cb 0.48 -0.48 0.00 0.00 0.00 0.00 0.00 30.24 30.24 1ddj n GLN 689 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1ddj n GLY 690 N 0.38 1.67 0.00 1.08 0.00 -1.26 -3.60 105.19 103.46 1ddj n GLY 690 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.39 2.61 -1.04 -1.26 -5.04 114.28 106.16 1ddj n THR 691 Ca 0.00 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.68 1ddj n THR 691 Cb 0.00 0.06 -0.06 0.00 -1.82 0.00 0.00 70.33 68.52 1ddj n THR 691 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 1ddj s PHE 692 N -0.47 3.49 0.00 -1.42 0.08 -1.24 -4.22 117.98 114.21 1ddj s PHE 692 Ca 0.00 0.95 0.00 0.00 0.12 0.00 0.00 56.93 58.00 1ddj s PHE 692 Cb 0.00 -2.31 0.00 0.00 -0.57 0.00 0.00 43.02 40.14 1ddj s PHE 692 CO 0.00 0.33 0.00 0.41 -0.10 0.00 0.00 175.22 175.86 1ddj n GLY 693 N 0.23 0.04 3.56 4.36 0.00 -1.26 -4.90 105.19 107.21 1ddj n GLY 693 Ca -0.02 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.48 1ddj n GLY 693 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ddj n ALA 694 N 1.00 -1.64 -0.77 4.61 0.00 -1.26 -1.93 120.51 120.52 1ddj n ALA 694 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.96 1ddj n ALA 694 Cb 0.44 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 17.93 1ddj n ALA 694 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ddj n GLY 695 N 2.11 1.40 3.84 0.00 0.00 -1.26 -5.00 105.19 106.28 1ddj n GLY 695 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 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 3.91 -0.01 0.99 2.01 -0.81 0.27 118.68 125.04 1ddj s LEU 696 Ca 0.00 -0.15 -0.30 0.00 0.01 0.00 0.00 54.13 53.68 1ddj s LEU 696 Cb 0.00 -2.46 -0.05 0.00 0.01 0.00 0.00 46.19 43.68 1ddj s LEU 696 CO 0.00 -0.01 1.36 -0.22 1.01 0.00 0.00 176.35 178.49 1ddj s LEU 697 N -3.65 4.31 0.44 1.79 2.96 -0.57 -4.62 118.68 119.34 1ddj s LEU 697 Ca 0.33 2.06 0.07 0.00 -0.22 0.00 0.00 54.13 56.37 1ddj s LEU 697 Cb -0.09 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 43.02 1ddj s LEU 697 CO 0.25 -0.69 0.28 -0.54 -1.32 0.00 0.00 176.35 174.33 1ddj s LYS 698 N 2.31 2.33 0.13 1.98 3.01 0.07 -0.50 119.74 129.06 1ddj s LYS 698 Ca 0.62 -1.79 -0.09 0.00 -1.01 0.00 0.00 55.97 53.70 1ddj s LYS 698 Cb -0.30 -2.12 -0.01 0.00 -1.01 0.00 0.00 37.83 34.40 1ddj s LYS 698 CO 0.26 -0.24 0.24 -1.83 0.51 0.00 0.00 175.35 174.28 1ddj s GLU 699 N -4.04 1.00 -0.18 1.68 -1.05 0.86 -2.20 118.70 114.77 1ddj s GLU 699 Ca 0.41 -1.07 -0.12 0.00 -0.15 0.00 0.00 54.97 54.03 1ddj s GLU 699 Cb 0.00 0.36 0.05 0.00 -0.44 0.00 0.00 34.13 34.11 1ddj s GLU 699 CO 0.23 -0.35 0.44 0.00 0.95 0.00 0.00 175.26 176.54 1ddj s ALA 700 N -3.92 -1.13 -0.36 -0.84 0.00 -0.97 -1.45 121.76 113.09 1ddj s ALA 700 Ca 0.11 1.47 -0.22 0.00 0.00 0.00 0.00 51.96 53.32 1ddj s ALA 700 Cb 0.04 -0.88 0.01 0.00 0.00 0.00 0.00 23.12 22.29 1ddj s ALA 700 CO -0.05 -0.25 0.72 -1.14 0.00 0.00 0.00 175.76 175.04 1ddj s GLN 701 N 0.91 3.72 -0.16 0.00 0.74 -1.25 -1.99 119.66 121.62 1ddj s GLN 701 Ca -0.05 0.20 0.01 0.00 0.05 0.00 0.00 55.36 55.56 1ddj s GLN 701 Cb -0.06 -3.81 0.02 0.00 1.10 0.00 0.00 33.01 30.27 1ddj s GLN 701 CO -0.07 -0.80 -0.15 -0.51 -0.55 0.00 0.00 175.29 173.21 1ddj s LEU 702 N 2.92 1.87 0.40 3.68 1.43 0.08 -4.57 118.68 124.50 1ddj s LEU 702 Ca 0.28 -0.57 -0.23 0.00 -1.03 0.00 0.00 54.13 52.58 1ddj s LEU 702 Cb -0.14 -1.26 -0.10 0.00 0.03 0.00 0.00 46.19 44.72 1ddj s LEU 702 CO 0.16 -0.05 0.97 -2.16 0.23 0.00 0.00 176.35 175.50 1ddj s PRO 703 N 1.42 4.29 0.08 1.29 0.04 -1.26 -1.58 135.00 139.29 1ddj s PRO 703 Ca 0.04 1.26 -0.26 0.00 0.04 0.00 0.00 61.00 62.08 1ddj s PRO 703 Cb -0.13 -2.42 -0.06 0.00 0.04 0.00 0.00 34.50 31.93 1ddj s PRO 703 CO -0.11 0.01 0.81 0.14 0.04 0.00 0.00 177.00 177.90 1ddj s VAL 704 N -1.91 4.60 -0.26 -0.36 -7.23 0.30 -0.54 120.40 115.00 1ddj s VAL 704 Ca 0.58 1.75 -0.08 0.00 -1.81 0.00 0.00 61.98 62.42 1ddj s VAL 704 Cb -0.15 -4.17 -0.03 0.00 0.56 0.00 0.00 36.38 32.60 1ddj s VAL 704 CO 0.19 0.38 0.09 -0.63 -0.31 0.00 0.00 175.10 174.83 1ddj s ILE 705 N -0.26 4.43 0.31 -0.62 1.01 0.50 0.13 121.20 126.69 1ddj s ILE 705 Ca 0.40 -0.18 -0.29 0.00 0.00 0.00 0.00 60.65 60.57 1ddj s ILE 705 Cb -0.22 -3.11 -0.12 0.00 0.01 0.00 0.00 42.46 39.02 1ddj s ILE 705 CO 0.25 0.29 1.38 -1.84 0.00 0.00 0.00 174.94 175.02 1ddj n GLU 706 N 4.94 2.21 -0.33 2.79 0.28 -1.26 -3.82 120.64 125.46 1ddj n GLU 706 Ca -0.16 0.78 0.22 0.00 -0.16 0.00 0.00 57.16 57.84 1ddj n GLU 706 Cb 0.51 -2.42 0.42 0.00 1.43 0.00 0.00 31.44 31.38 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 3.37 -0.01 -0.78 -1.84 -0.26 -1.93 0.13 115.58 114.27 1ddj h ASN 707 Ca -0.46 0.25 0.09 0.00 -0.56 0.00 0.00 56.30 55.62 1ddj h ASN 707 Cb 1.27 0.34 -0.07 0.00 -1.06 0.00 0.00 38.32 38.80 1ddj h ASN 707 CO 0.69 -0.34 0.43 0.11 -1.06 0.00 0.00 177.43 177.27 1ddj h LYS 708 N 0.07 0.72 0.14 0.81 1.57 -1.96 0.33 116.57 118.24 1ddj h LYS 708 Ca 0.70 -0.04 -0.25 0.00 -1.87 0.00 0.00 60.65 59.19 1ddj h LYS 708 Cb 1.64 -0.16 0.03 0.00 0.08 0.00 0.00 32.23 33.82 1ddj h LYS 708 CO -0.79 0.47 -1.07 0.28 -0.57 0.00 0.00 179.45 177.77 1ddj h VAL 709 N 0.74 1.38 -0.48 0.50 2.07 -1.38 -3.27 116.25 115.79 1ddj h VAL 709 Ca 0.38 -2.49 0.04 0.00 0.82 0.00 0.00 66.70 65.44 1ddj h VAL 709 Cb 0.34 2.94 -0.03 0.00 -1.52 0.00 0.00 31.29 33.03 1ddj h VAL 709 CO -0.24 0.73 0.32 0.00 0.02 0.00 0.00 177.57 178.40 1ddj n ASN 711 N -4.48 0.12 -4.44 0.00 5.03 0.11 -1.72 115.26 109.88 1ddj n ASN 711 Ca 0.06 -0.15 -0.36 0.00 0.87 0.00 0.00 54.58 55.00 1ddj n ASN 711 Cb 0.18 -0.25 0.07 0.00 -1.02 0.00 0.00 39.78 38.76 1ddj n ASN 711 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1ddj n ARG 712 N -1.26 0.22 -0.17 3.52 1.74 -0.75 -0.24 116.66 119.73 1ddj n ARG 712 Ca 0.13 0.11 -0.08 0.00 -0.77 0.00 0.00 57.85 57.24 1ddj n ARG 712 Cb 0.27 -1.77 -0.03 0.00 -1.02 0.00 0.00 32.46 29.91 1ddj n ARG 712 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 1ddj h TYR 713 N -0.49 -1.16 0.00 -1.55 3.20 -1.91 -0.85 116.97 114.22 1ddj h TYR 713 Ca -0.45 0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.49 1ddj h TYR 713 Cb 1.35 0.58 0.00 0.00 1.54 0.00 0.00 36.73 40.19 1ddj h TYR 713 CO 0.34 -0.42 0.00 -0.85 -1.64 0.00 0.00 178.16 175.59 1ddj n GLU 714 N -5.42 0.48 0.00 1.82 0.00 -1.26 -4.03 120.64 112.23 1ddj n GLU 714 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.17 1ddj n GLU 714 Cb 0.35 -1.18 0.00 0.00 0.00 0.00 0.00 31.44 30.61 1ddj n GLU 714 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 1ddj n PHE 715 N -0.68 0.00 0.86 -1.84 0.99 -0.38 -4.97 117.46 111.43 1ddj n PHE 715 Ca 0.04 0.00 0.10 0.00 -0.00 0.00 0.00 57.45 57.59 1ddj n PHE 715 Cb 0.02 0.00 0.30 0.00 -1.00 0.00 0.00 39.48 38.79 1ddj n PHE 715 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 1ddj n LEU 716 N 0.00 2.29 -3.97 4.37 4.32 -0.70 -4.99 117.00 118.31 1ddj n LEU 716 Ca 0.00 -1.00 -0.38 0.00 -0.02 0.00 0.00 56.01 54.60 1ddj n LEU 716 Cb 0.00 -0.18 0.01 0.00 -1.62 0.00 0.00 43.42 41.63 1ddj n LEU 716 CO 0.00 0.50 -0.17 -3.20 -1.22 0.00 0.00 177.39 173.30 1ddj n ASN 717 N 0.73 -3.80 -0.51 -1.43 5.15 -0.83 -1.18 115.26 113.38 1ddj n ASN 717 Ca 0.17 -1.11 -0.07 0.00 -0.60 0.00 0.00 54.58 52.97 1ddj n ASN 717 Cb 0.41 -1.41 -0.03 0.00 -0.53 0.00 0.00 39.78 38.22 1ddj n ASN 717 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ddj n GLY 718 N -1.88 0.64 0.12 8.20 0.00 0.66 -4.84 105.19 108.09 1ddj n GLY 718 Ca -0.14 -0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.00 1ddj n GLY 718 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ddj h ARG 719 N 0.01 0.00 -5.98 1.61 3.08 -1.44 -3.45 114.38 108.21 1ddj h ARG 719 Ca -0.14 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.32 1ddj h ARG 719 Cb 1.11 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 31.07 1ddj h ARG 719 CO 0.20 0.00 0.58 0.08 -1.07 0.00 0.00 179.97 179.76 1ddj s VAL 720 N -3.16 4.68 0.69 2.04 1.01 -1.26 -5.05 120.40 119.36 1ddj s VAL 720 Ca 0.08 1.43 0.01 0.00 0.00 0.00 0.00 61.98 63.50 1ddj s VAL 720 Cb 0.11 -4.26 0.12 0.00 0.00 0.00 0.00 36.38 32.35 1ddj s VAL 720 CO 0.66 -0.33 0.95 -1.10 0.00 0.00 0.00 175.10 175.28 1ddj s GLN 721 N 3.22 1.80 0.61 2.72 -1.52 -1.26 -4.97 119.66 120.27 1ddj s GLN 721 Ca 0.38 -1.20 0.39 0.00 -1.95 0.00 0.00 55.36 52.98 1ddj s GLN 721 Cb -0.13 -2.39 1.93 0.00 -0.22 0.00 0.00 33.01 32.20 1ddj s GLN 721 CO 0.13 -1.33 2.19 0.66 -0.25 0.00 0.00 175.29 176.69 1ddj h SER 722 N -0.39 0.00 -0.11 5.90 4.64 -2.01 -1.63 113.55 119.94 1ddj h SER 722 Ca -0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 1ddj h SER 722 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1ddj h SER 722 CO 0.40 0.01 0.00 0.35 -0.87 0.00 0.00 176.83 176.72 1ddj n THR 723 N -3.11 0.14 -4.29 2.95 -2.24 -1.26 -4.85 114.28 101.63 1ddj n THR 723 Ca -0.01 -0.23 -0.15 0.00 -2.27 0.00 0.00 64.05 61.38 1ddj n THR 723 Cb 0.18 0.14 -0.10 0.00 -2.10 0.00 0.00 70.33 68.45 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 -1.86 1.22 0.09 -0.78 8.01 -0.62 -0.71 118.70 124.05 1ddj s GLU 724 Ca 0.30 -1.60 -0.09 0.00 0.01 0.00 0.00 54.97 53.59 1ddj s GLU 724 Cb 0.15 -0.47 0.00 0.00 -4.31 0.00 0.00 34.13 29.50 1ddj s GLU 724 CO 0.24 -0.10 0.20 -0.48 0.01 0.00 0.00 175.26 175.13 1ddj s LEU 725 N -3.24 1.38 -0.06 1.80 0.05 -0.50 -4.69 118.68 113.42 1ddj s LEU 725 Ca 0.26 -0.62 0.03 0.00 0.05 0.00 0.00 54.13 53.84 1ddj s LEU 725 Cb 0.05 1.07 -0.03 0.00 -2.05 0.00 0.00 46.19 45.24 1ddj s LEU 725 CO 0.06 -0.73 -0.13 0.00 -0.55 0.00 0.00 176.35 175.01 1ddj s ALA 727 N -0.68 -0.09 0.00 0.00 0.00 -1.07 -0.37 121.76 119.55 1ddj s ALA 727 Ca 0.10 0.44 0.00 0.00 0.00 0.00 0.00 51.96 52.51 1ddj s ALA 727 Cb -0.11 -0.84 0.00 0.00 0.00 0.00 0.00 23.12 22.17 1ddj s ALA 727 CO 0.01 -0.64 0.00 0.41 0.00 0.00 0.00 175.76 175.54 1ddj n GLY 728 N 5.32 -0.24 3.41 0.00 0.00 0.29 -3.66 105.19 110.31 1ddj n GLY 728 Ca -0.05 -1.06 -0.30 0.00 0.00 0.00 0.00 46.02 44.62 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 -3.62 2.41 -0.36 1.61 3.76 -1.26 -4.22 115.29 113.60 1ddj s HIS 729 Ca 0.00 -0.34 0.23 0.00 -0.15 0.00 0.00 55.06 54.80 1ddj s HIS 729 Cb 0.00 -1.36 0.15 0.00 1.11 0.00 0.00 32.58 32.48 1ddj s HIS 729 CO 0.00 0.26 1.23 -0.07 -0.85 0.00 0.00 174.74 175.31 1ddj h LEU 730 N 4.30 0.00 -7.21 0.89 3.38 -1.89 -3.19 115.31 111.59 1ddj h LEU 730 Ca -0.49 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.35 1ddj h LEU 730 Cb 1.16 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.66 1ddj h LEU 730 CO 0.43 0.02 -0.20 0.00 0.09 0.00 0.00 178.44 178.79 1ddj s ALA 731 N -3.29 -1.20 -0.10 1.53 0.00 -1.26 -4.33 121.76 113.11 1ddj s ALA 731 Ca 0.03 1.55 -0.00 0.00 0.00 0.00 0.00 51.96 53.53 1ddj s ALA 731 Cb 0.09 -0.92 0.00 0.00 0.00 0.00 0.00 23.12 22.29 1ddj s ALA 731 CO 0.75 -0.26 0.03 0.41 0.00 0.00 0.00 175.76 176.68 1ddj n GLY 732 N 3.62 0.53 2.77 0.00 0.00 0.21 -4.98 105.19 107.33 1ddj n GLY 732 Ca -0.18 -0.76 -0.18 0.00 0.00 0.00 0.00 46.02 44.90 1ddj n GLY 732 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ddj n GLY 733 N -0.85 2.59 3.69 -0.02 0.00 -0.47 -4.93 105.19 105.21 1ddj n GLY 733 Ca -0.01 -2.25 -0.30 0.00 0.00 0.00 0.00 46.02 43.46 1ddj n GLY 733 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ddj s THR 734 N -1.87 2.58 -0.22 2.61 2.01 -1.26 -3.77 115.64 115.71 1ddj s THR 734 Ca 0.28 0.19 0.13 0.00 0.31 0.00 0.00 61.69 62.60 1ddj s THR 734 Cb -0.02 -2.45 0.45 0.00 0.01 0.00 0.00 72.50 70.49 1ddj s THR 734 CO 0.18 -0.25 1.34 -0.67 -0.69 0.00 0.00 174.62 174.53 1ddj n ASP 735 N -4.01 2.54 -4.35 3.53 2.03 -1.25 -2.32 116.55 112.72 1ddj n ASP 735 Ca 0.09 -3.53 -0.18 0.00 0.52 0.00 0.00 54.79 51.69 1ddj n ASP 735 Cb 0.53 -0.55 -0.10 0.00 -0.72 0.00 0.00 41.12 40.28 1ddj n ASP 735 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1ddj s SER 736 N -2.65 2.38 -0.43 1.67 1.04 -0.97 -4.83 113.70 109.91 1ddj s SER 736 Ca 0.40 -1.09 -0.25 0.00 0.48 0.00 0.00 55.95 55.49 1ddj s SER 736 Cb 0.36 -0.10 0.02 0.00 0.10 0.00 0.00 66.02 66.40 1ddj s SER 736 CO 0.01 -0.29 0.89 0.00 0.98 0.00 0.00 173.24 174.82 1ddj s GLN 738 N 3.55 3.70 3.17 0.00 -0.21 -1.26 -4.89 119.66 123.72 1ddj s GLN 738 Ca 0.36 0.26 0.00 0.00 0.02 0.00 0.00 55.36 55.99 1ddj s GLN 738 Cb -0.11 -2.50 0.00 0.00 1.00 0.00 0.00 33.01 31.40 1ddj s GLN 738 CO 0.23 0.06 0.00 0.41 -2.12 0.00 0.00 175.29 173.87 1ddj n GLY 739 N -1.19 0.05 3.40 3.09 0.00 -1.26 -4.84 105.19 104.43 1ddj n GLY 739 Ca 0.01 -0.95 -0.28 0.00 0.00 0.00 0.00 46.02 44.80 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 3.31 0.23 1.61 1.01 -1.26 -3.38 116.67 114.20 1ddj s ASP 740 Ca 0.00 -0.79 -0.32 0.00 0.71 0.00 0.00 52.55 52.15 1ddj s ASP 740 Cb 0.00 -0.23 -0.13 0.00 1.01 0.00 0.00 42.92 43.57 1ddj s ASP 740 CO 0.00 0.15 1.47 0.00 0.21 0.00 0.00 175.17 177.00 1ddj n ALA 741 N 0.67 1.39 -0.39 5.23 0.00 -1.26 0.32 120.51 126.48 1ddj n ALA 741 Ca -0.16 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1ddj n ALA 741 Cb 0.54 -2.32 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 2.41 1.91 3.63 0.00 0.00 0.54 -0.30 105.19 113.36 1ddj n GLY 742 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.95 1.59 0.38 -0.02 0.00 0.15 -2.99 107.32 104.48 1ddj s GLY 743 Ca 0.00 -0.07 -0.10 0.00 0.00 0.00 0.00 44.72 44.55 1ddj s GLY 743 CO 0.00 0.52 0.73 2.56 0.00 0.00 0.00 173.10 176.91 1ddj s PRO 744 N -4.74 3.78 -0.29 2.90 0.04 -1.26 -0.73 135.00 134.70 1ddj s PRO 744 Ca 0.66 0.43 -0.02 0.00 0.04 0.00 0.00 61.00 62.11 1ddj s PRO 744 Cb -0.21 -2.43 0.09 0.00 0.04 0.00 0.00 34.50 31.99 1ddj s PRO 744 CO 0.60 0.02 0.09 -1.17 0.04 0.00 0.00 177.00 176.58 1ddj s LEU 745 N -3.70 1.85 0.14 -3.56 1.98 -0.54 -2.69 118.68 112.16 1ddj s LEU 745 Ca 0.51 -1.47 0.07 0.00 -2.89 0.00 0.00 54.13 50.35 1ddj s LEU 745 Cb -0.10 -0.76 -0.04 0.00 0.66 0.00 0.00 46.19 45.95 1ddj s LEU 745 CO 0.29 -0.40 -0.06 0.68 -1.89 0.00 0.00 176.35 174.98 1ddj s VAL 746 N 1.72 3.49 -0.02 1.68 -7.23 -0.74 -1.06 120.40 118.24 1ddj s VAL 746 Ca 0.08 -1.39 0.02 0.00 -1.81 0.00 0.00 61.98 58.87 1ddj s VAL 746 Cb -0.17 -2.70 0.01 0.00 0.56 0.00 0.00 36.38 34.08 1ddj s VAL 746 CO -0.24 -0.02 -0.05 0.00 -0.31 0.00 0.00 175.10 174.48 1ddj s PHE 748 N 0.31 3.42 0.00 0.00 5.36 -1.25 -1.18 117.98 124.64 1ddj s PHE 748 Ca -0.04 1.47 0.00 0.00 -0.96 0.00 0.00 56.93 57.40 1ddj s PHE 748 Cb -0.08 -3.43 0.00 0.00 -0.34 0.00 0.00 43.02 39.18 1ddj s PHE 748 CO -0.00 -1.15 0.00 -1.91 -1.46 0.00 0.00 175.22 170.70 1ddj n GLU 749 N 2.14 0.00 0.00 10.12 4.07 0.11 -4.94 120.64 132.14 1ddj n GLU 749 Ca 0.03 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.13 1ddj n GLU 749 Cb 0.44 -0.02 0.00 0.00 -0.06 0.00 0.00 31.44 31.80 1ddj n GLU 749 CO 0.00 0.00 0.00 0.36 -0.06 0.00 0.00 177.13 177.43 1ddj n LYS 750 N -0.74 1.68 0.00 5.31 2.85 -1.26 -4.89 118.16 121.11 1ddj n LYS 750 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1ddj n LYS 750 Cb 0.00 -0.84 0.00 0.00 -0.65 0.00 0.00 35.03 33.54 1ddj n LYS 750 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1ddj n ASP 751 N -1.76 0.00 -3.30 -5.58 3.85 -1.26 -5.14 116.55 103.36 1ddj n ASP 751 Ca 0.00 -1.00 -0.12 0.00 -0.71 0.00 0.00 54.79 52.96 1ddj n ASP 751 Cb 0.34 0.00 -0.02 0.00 -1.35 0.00 0.00 41.12 40.08 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 1.94 -0.14 0.11 -2.85 -1.26 -4.85 119.74 112.70 1ddj s LYS 752 Ca 0.00 -1.56 -0.05 0.00 -1.00 0.00 0.00 55.97 53.36 1ddj s LYS 752 Cb 0.00 0.50 -0.04 0.00 -2.06 0.00 0.00 37.83 36.24 1ddj s LYS 752 CO 0.00 -0.84 0.05 0.71 0.10 0.00 0.00 175.35 175.37 1ddj s TYR 753 N -3.03 3.26 -0.14 1.78 1.51 0.10 0.07 117.35 120.90 1ddj s TYR 753 Ca 0.24 0.16 -0.00 0.00 -1.01 0.00 0.00 57.07 56.45 1ddj s TYR 753 Cb -0.02 -1.95 -0.01 0.00 -0.11 0.00 0.00 41.96 39.87 1ddj s TYR 753 CO 0.15 0.34 -0.13 0.42 -1.11 0.00 0.00 175.55 175.23 1ddj s ILE 754 N -0.28 3.03 -0.45 2.71 -1.09 -0.33 -3.03 121.20 121.77 1ddj s ILE 754 Ca 0.08 -0.66 -0.28 0.00 -2.23 0.00 0.00 60.65 57.56 1ddj s ILE 754 Cb -0.12 -2.28 0.00 0.00 -1.58 0.00 0.00 42.46 38.48 1ddj s ILE 754 CO 0.02 0.52 1.55 -0.22 -1.23 0.00 0.00 174.94 175.57 1ddj s LEU 755 N 0.50 3.49 -0.12 2.97 2.96 0.25 -1.41 118.68 127.32 1ddj s LEU 755 Ca -0.09 0.76 0.18 0.00 -0.22 0.00 0.00 54.13 54.76 1ddj s LEU 755 Cb -0.16 -3.32 -0.26 0.00 0.50 0.00 0.00 46.19 42.96 1ddj s LEU 755 CO 0.04 -1.66 0.21 0.00 -1.32 0.00 0.00 176.35 173.62 1ddj n GLN 756 N 8.41 0.86 -4.04 1.98 1.13 -0.22 -4.32 117.38 121.18 1ddj n GLN 756 Ca 0.17 -0.08 -0.08 0.00 -1.94 0.00 0.00 57.00 55.08 1ddj n GLN 756 Cb 0.48 -1.47 -0.10 0.00 0.11 0.00 0.00 30.24 29.27 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 -4.83 0.38 -0.08 1.08 0.00 -0.37 -1.11 107.32 102.40 1ddj s GLY 757 Ca -0.08 -1.01 0.04 0.00 0.00 0.00 0.00 44.72 43.67 1ddj s GLY 757 CO 0.77 -1.12 -0.22 0.14 0.00 0.00 0.00 173.10 172.67 1ddj s VAL 758 N -3.40 2.31 0.01 1.40 1.01 -0.60 -1.47 120.40 119.66 1ddj s VAL 758 Ca 0.02 -0.96 -0.30 0.00 0.00 0.00 0.00 61.98 60.74 1ddj s VAL 758 Cb 0.04 -1.88 -0.06 0.00 0.00 0.00 0.00 36.38 34.49 1ddj s VAL 758 CO -0.08 0.56 1.39 -0.89 0.00 0.00 0.00 175.10 176.09 1ddj s THR 759 N -0.01 3.68 -0.25 3.92 2.01 0.09 -1.61 115.64 123.47 1ddj s THR 759 Ca -0.07 1.09 -0.03 0.00 0.31 0.00 0.00 61.69 62.99 1ddj s THR 759 Cb -0.15 -3.70 0.11 0.00 0.01 0.00 0.00 72.50 68.78 1ddj s THR 759 CO 0.05 0.01 0.24 -0.55 -0.69 0.00 0.00 174.62 173.68 1ddj s SER 760 N 1.78 1.82 0.44 3.53 0.15 -1.26 -0.34 113.70 119.81 1ddj s SER 760 Ca 0.64 -0.60 0.13 0.00 0.70 0.00 0.00 55.95 56.82 1ddj s SER 760 Cb -0.32 0.33 0.97 0.00 -1.71 0.00 0.00 66.02 65.29 1ddj s SER 760 CO 0.27 -0.37 1.99 -0.50 1.20 0.00 0.00 173.24 175.83 1ddj h TRP 761 N 8.31 0.07 0.00 3.44 6.55 -1.88 -2.24 115.95 130.19 1ddj h TRP 761 Ca -0.16 -0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.68 1ddj h TRP 761 Cb 1.10 -0.02 0.00 0.00 -0.86 0.00 0.00 29.16 29.38 1ddj h TRP 761 CO 0.22 0.21 0.00 0.41 -1.05 0.00 0.00 178.44 178.23 1ddj n GLY 762 N -1.04 -1.00 0.12 1.49 0.00 -1.26 -0.84 105.19 102.66 1ddj n GLY 762 Ca -0.02 0.13 0.02 0.00 0.00 0.00 0.00 46.02 46.15 1ddj n GLY 762 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ddj h LEU 763 N 0.00 0.00 0.00 0.99 3.38 -1.67 -3.48 115.31 114.53 1ddj h LEU 763 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ddj h LEU 763 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1ddj h LEU 763 CO 0.00 0.51 0.00 0.61 0.09 0.00 0.00 178.44 179.65 1ddj n GLY 764 N 1.29 3.34 3.88 0.83 0.00 -0.02 -4.52 105.19 109.98 1ddj n GLY 764 Ca -0.02 -0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.35 1ddj n GLY 764 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ddj n ALA 766 N 0.18 2.43 -2.39 0.00 0.00 -1.20 -4.61 120.51 114.92 1ddj n ALA 766 Ca -0.02 0.37 -0.20 0.00 0.00 0.00 0.00 53.44 53.59 1ddj n ALA 766 Cb 0.52 -2.45 -0.10 0.00 0.00 0.00 0.00 19.45 17.42 1ddj n ALA 766 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1ddj s ARG 767 N -0.68 1.46 0.51 0.00 0.52 0.51 -2.30 118.95 118.98 1ddj s ARG 767 Ca 0.63 -1.70 0.32 0.00 -0.52 0.00 0.00 55.73 54.47 1ddj s ARG 767 Cb -0.50 -1.16 1.45 0.00 0.52 0.00 0.00 34.95 35.25 1ddj s ARG 767 CO 0.50 0.11 1.79 -1.35 0.02 0.00 0.00 175.30 176.37 1ddj h PRO 768 N 2.40 0.09 0.00 3.54 0.11 -1.60 -2.18 132.00 134.36 1ddj h PRO 768 Ca -0.39 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1ddj h PRO 768 Cb 1.23 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1ddj h PRO 768 CO 0.65 0.06 -0.15 0.09 -0.21 0.00 0.00 178.00 178.43 1ddj n ASN 769 N -4.30 1.33 -3.85 -2.05 3.02 -1.26 -0.62 115.26 107.53 1ddj n ASN 769 Ca 0.26 -2.37 -0.18 0.00 -0.03 0.00 0.00 54.58 52.26 1ddj n ASN 769 Cb 1.18 -0.25 -0.16 0.00 -0.61 0.00 0.00 39.78 39.94 1ddj n ASN 769 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1ddj s LYS 770 N -1.41 0.53 0.65 3.52 2.20 -0.82 -4.63 119.74 119.78 1ddj s LYS 770 Ca 0.14 -0.00 -0.11 0.00 -0.36 0.00 0.00 55.97 55.64 1ddj s LYS 770 Cb 0.12 -0.64 -0.02 0.00 -1.51 0.00 0.00 37.83 35.79 1ddj s LYS 770 CO 0.01 -0.11 1.05 -1.25 -0.36 0.00 0.00 175.35 174.69 1ddj s PRO 771 N 0.98 3.30 0.35 4.03 0.04 -1.20 -0.36 135.00 142.14 1ddj s PRO 771 Ca -0.10 0.61 -0.15 0.00 0.04 0.00 0.00 61.00 61.39 1ddj s PRO 771 Cb -0.14 -2.07 -0.09 0.00 0.04 0.00 0.00 34.50 32.24 1ddj s PRO 771 CO -0.01 -0.74 0.78 0.20 0.04 0.00 0.00 177.00 177.27 1ddj s GLY 772 N -4.25 2.30 -0.11 0.56 0.00 -1.24 -4.57 107.32 100.00 1ddj s GLY 772 Ca 0.56 0.08 -0.01 0.00 0.00 0.00 0.00 44.72 45.34 1ddj s GLY 772 CO 0.53 0.29 -0.06 0.14 0.00 0.00 0.00 173.10 174.00 1ddj s VAL 773 N -2.06 3.75 0.28 1.40 1.01 -0.69 -2.58 120.40 121.50 1ddj s VAL 773 Ca 0.55 -0.43 0.11 0.00 0.00 0.00 0.00 61.98 62.21 1ddj s VAL 773 Cb -0.10 -2.59 -0.05 0.00 0.00 0.00 0.00 36.38 33.64 1ddj s VAL 773 CO 0.18 0.54 -0.18 -0.31 0.00 0.00 0.00 175.10 175.34 1ddj s TYR 774 N -0.16 2.26 -0.10 5.22 1.51 0.04 -4.31 117.35 121.81 1ddj s TYR 774 Ca 0.02 -0.38 -0.30 0.00 -1.01 0.00 0.00 57.07 55.41 1ddj s TYR 774 Cb -0.13 -1.04 -0.02 0.00 -0.11 0.00 0.00 41.96 40.66 1ddj s TYR 774 CO 0.03 0.67 1.13 0.08 -1.11 0.00 0.00 175.55 176.35 1ddj s VAL 775 N -2.56 4.46 -0.67 0.71 1.01 -0.63 -1.41 120.40 121.31 1ddj s VAL 775 Ca 0.30 1.76 -0.27 0.00 0.00 0.00 0.00 61.98 63.76 1ddj s VAL 775 Cb -0.03 -4.13 0.02 0.00 0.00 0.00 0.00 36.38 32.24 1ddj s VAL 775 CO 0.15 -0.03 1.35 -0.60 0.00 0.00 0.00 175.10 175.96 1ddj s ARG 776 N 2.41 3.21 0.33 2.72 3.52 0.11 -1.56 118.95 129.69 1ddj s ARG 776 Ca 0.52 0.06 0.08 0.00 -0.13 0.00 0.00 55.73 56.27 1ddj s ARG 776 Cb -0.21 -4.16 0.80 0.00 -1.56 0.00 0.00 34.95 29.82 1ddj s ARG 776 CO 0.18 -2.09 1.82 0.28 -0.81 0.00 0.00 175.30 174.68 1ddj h VAL 777 N 6.21 0.75 -0.03 7.11 2.07 -1.42 -2.48 116.25 128.46 1ddj h VAL 777 Ca -0.27 -0.24 0.01 0.00 0.82 0.00 0.00 66.70 67.02 1ddj h VAL 777 Cb 1.07 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1ddj h VAL 777 CO 1.24 0.13 0.05 0.77 0.02 0.00 0.00 177.57 179.78 1ddj h SER 778 N 0.71 0.00 0.27 0.57 4.64 -1.85 0.61 113.55 118.49 1ddj h SER 778 Ca 0.53 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.85 1ddj h SER 778 Cb 0.88 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 1ddj h SER 778 CO -0.29 0.00 -0.09 0.54 -0.87 0.00 0.00 176.83 176.12 1ddj n ARG 779 N -3.48 0.84 0.00 4.77 5.12 -0.93 -0.05 116.66 122.94 1ddj n ARG 779 Ca -0.02 -0.30 0.00 0.00 -1.93 0.00 0.00 57.85 55.60 1ddj n ARG 779 Cb 0.13 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 29.94 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 -0.82 0.00 -0.16 -1.55 3.01 0.15 -4.76 117.46 113.33 1ddj n PHE 780 Ca 0.16 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.58 1ddj n PHE 780 Cb 0.27 0.00 0.05 0.00 -0.01 0.00 0.00 39.48 39.79 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 0.04 0.95 -0.92 -4.37 2.07 -1.48 0.25 116.25 112.78 1ddj h VAL 781 Ca 0.00 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 1ddj h VAL 781 Cb 0.02 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 30.17 1ddj h VAL 781 CO 0.00 0.09 0.56 0.74 0.02 0.00 0.00 177.57 178.98 1ddj h THR 782 N 0.48 1.25 -0.13 2.57 2.02 -1.86 0.15 112.91 117.39 1ddj h THR 782 Ca 0.22 -0.53 -0.01 0.00 0.77 0.00 0.00 66.41 66.85 1ddj h THR 782 Cb 0.14 -0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.48 1ddj h THR 782 CO -0.16 0.26 0.04 -0.25 0.37 0.00 0.00 175.52 175.78 1ddj h TRP 783 N 1.27 0.21 -0.30 3.16 7.01 -1.64 -2.33 115.95 123.33 1ddj h TRP 783 Ca 0.33 -0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.34 1ddj h TRP 783 Cb -0.07 -0.06 -0.03 0.00 -2.10 0.00 0.00 29.16 26.90 1ddj h TRP 783 CO 0.00 0.35 0.10 0.82 -2.79 0.00 0.00 178.44 176.92 1ddj h ILE 784 N 0.02 0.91 -0.74 2.65 2.04 0.12 -2.15 117.51 120.35 1ddj h ILE 784 Ca 0.04 -0.08 0.02 0.00 1.00 0.00 0.00 64.86 65.85 1ddj h ILE 784 Cb 0.24 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 36.94 1ddj h ILE 784 CO -0.00 0.04 0.48 -0.33 0.00 0.00 0.00 178.15 178.34 1ddj h GLU 785 N 0.23 0.92 -0.05 2.37 5.08 -0.71 -1.58 114.58 120.83 1ddj h GLU 785 Ca 0.13 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1ddj h GLU 785 Cb 0.11 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1ddj h GLU 785 CO -0.14 0.61 -0.04 0.78 -1.00 0.00 0.00 179.01 179.22 1ddj h GLY 786 N 0.94 0.01 1.11 -3.84 0.00 -0.94 -0.61 103.07 99.76 1ddj h GLY 786 Ca 0.29 0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.64 1ddj h GLY 786 CO -0.10 -0.05 0.40 -2.08 0.00 0.00 0.00 176.54 174.72 1ddj h VAL 787 N -0.04 1.25 -0.65 4.60 2.07 -1.17 -1.22 116.25 121.09 1ddj h VAL 787 Ca 0.03 -0.68 -0.07 0.00 0.82 0.00 0.00 66.70 66.81 1ddj h VAL 787 Cb 0.09 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.04 1ddj h VAL 787 CO -0.08 0.29 0.15 0.24 0.02 0.00 0.00 177.57 178.19 1ddj h MET 788 N 1.14 1.05 0.00 1.57 2.07 -0.94 -1.85 114.93 117.97 1ddj h MET 788 Ca 0.28 -0.26 0.00 0.00 -2.07 0.00 0.00 59.70 57.65 1ddj h MET 788 Cb 0.10 -0.14 0.00 0.00 -1.87 0.00 0.00 31.60 29.69 1ddj h MET 788 CO -0.04 0.95 -0.21 2.89 1.07 0.00 0.00 176.91 181.57 1ddj n ARG 789 N -4.29 0.13 -0.07 1.72 1.85 -0.27 -3.62 116.66 112.12 1ddj n ARG 789 Ca 0.04 0.08 0.06 0.00 -1.00 0.00 0.00 57.85 57.04 1ddj n ARG 789 Cb 0.26 -1.63 0.10 0.00 -1.05 0.00 0.00 32.46 30.14 1ddj n ARG 789 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1ddj n ASN 790 N -1.84 2.43 0.00 2.89 5.03 -0.49 -5.09 115.26 118.20 1ddj n ASN 790 Ca 0.06 -1.70 0.00 0.00 0.87 0.00 0.00 54.58 53.80 1ddj n ASN 790 Cb 0.38 -0.10 0.00 0.00 -1.02 0.00 0.00 39.78 39.05 1ddj n ASN 790 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02