#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rjx n PHE 546 N 0.00 0.00 -2.40 7.33 -0.00 -1.26 -4.65 117.46 116.48 1rjx n PHE 546 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 57.45 57.05 1rjx n PHE 546 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 39.48 39.44 1rjx n PHE 546 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 1rjx s ASP 547 N 0.50 7.17 0.50 -2.13 1.01 -1.26 -4.93 116.67 117.52 1rjx s ASP 547 Ca 0.00 2.33 -0.23 0.00 0.71 0.00 0.00 52.55 55.35 1rjx s ASP 547 Cb 0.00 -2.63 -0.06 0.00 1.01 0.00 0.00 42.92 41.24 1rjx s ASP 547 CO 0.00 -0.24 1.39 0.00 0.21 0.00 0.00 175.17 176.53 1rjx n GLY 549 N 0.65 0.46 2.92 0.00 0.00 0.21 -4.59 105.19 104.84 1rjx n GLY 549 Ca 0.08 -0.09 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 1rjx n GLY 549 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rjx s LYS 550 N -0.40 1.26 0.59 1.61 1.02 -1.19 -1.64 119.74 120.99 1rjx s LYS 550 Ca 0.00 -1.68 -0.19 0.00 0.02 0.00 0.00 55.97 54.12 1rjx s LYS 550 Cb 0.00 -2.80 -0.04 0.00 -0.52 0.00 0.00 37.83 34.47 1rjx s LYS 550 CO 0.00 -0.97 1.20 -1.25 -0.92 0.00 0.00 175.35 173.41 1rjx s PRO 551 N 1.04 3.02 0.24 -1.68 0.04 -1.26 -4.83 135.00 131.56 1rjx s PRO 551 Ca 0.11 1.81 0.23 0.00 0.04 0.00 0.00 61.00 63.19 1rjx s PRO 551 Cb -0.19 -1.95 0.05 0.00 0.04 0.00 0.00 34.50 32.46 1rjx s PRO 551 CO -0.13 -1.16 1.14 1.96 0.04 0.00 0.00 177.00 178.85 1rjx h GLN 552 N 0.94 0.00 -4.92 4.56 1.08 -1.82 -3.41 115.11 111.53 1rjx h GLN 552 Ca -0.50 0.00 -0.66 0.00 -1.45 0.00 0.00 58.65 56.04 1rjx h GLN 552 Cb 1.29 0.00 -0.25 0.00 -0.05 0.00 0.00 27.48 28.48 1rjx h GLN 552 CO 0.55 0.00 -0.64 0.08 -0.95 0.00 0.00 178.83 177.87 1rjx s VAL 553 N -3.34 4.03 0.20 -0.54 1.01 -1.26 -5.07 120.40 115.43 1rjx s VAL 553 Ca 0.01 -0.37 -0.30 0.00 0.00 0.00 0.00 61.98 61.31 1rjx s VAL 553 Cb 0.09 -2.93 -0.09 0.00 0.00 0.00 0.00 36.38 33.45 1rjx s VAL 553 CO 0.77 0.29 1.40 -0.70 0.00 0.00 0.00 175.10 176.86 1rjx s GLU 554 N 1.56 4.31 0.48 2.72 -6.30 -1.26 -4.15 118.70 116.05 1rjx s GLU 554 Ca 0.05 2.19 -0.24 0.00 -2.50 0.00 0.00 54.97 54.48 1rjx s GLU 554 Cb -0.15 -3.16 -0.08 0.00 0.00 0.00 0.00 34.13 30.73 1rjx s GLU 554 CO 0.02 -0.39 1.26 -2.30 0.02 0.00 0.00 175.26 173.87 1rjx n PRO 555 N 2.87 1.75 -0.22 4.30 -0.02 -1.26 -4.88 135.00 137.53 1rjx n PRO 555 Ca 0.08 0.63 -0.01 0.00 -2.02 0.00 0.00 63.50 62.18 1rjx n PRO 555 Cb 0.41 -2.41 0.20 0.00 -0.02 0.00 0.00 33.50 31.68 1rjx n PRO 555 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1rjx h LYS 556 N 1.72 1.02 -5.19 -0.52 3.64 -1.92 -3.48 116.57 111.84 1rjx h LYS 556 Ca -0.49 -0.10 -0.16 0.00 -1.27 0.00 0.00 60.65 58.63 1rjx h LYS 556 Cb 1.30 -0.21 0.13 0.00 -0.41 0.00 0.00 32.23 33.05 1rjx h LYS 556 CO 0.58 0.73 -0.56 1.63 -2.27 0.00 0.00 179.45 179.56 1rjx n LYS 557 N -4.37 -1.79 -1.69 1.90 5.02 -1.26 -4.87 118.16 111.09 1rjx n LYS 557 Ca 0.08 0.96 -0.64 0.00 -2.02 0.00 0.00 58.31 56.68 1rjx n LYS 557 Cb 0.09 -5.40 -0.09 0.00 -0.02 0.00 0.00 35.03 29.61 1rjx n LYS 557 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1rjx n PRO 559 N 3.72 1.64 0.21 0.00 -0.02 -1.26 -4.02 135.00 135.28 1rjx n PRO 559 Ca 0.28 0.61 0.16 0.00 -2.02 0.00 0.00 63.50 62.52 1rjx n PRO 559 Cb 0.01 -2.54 0.80 0.00 -0.02 0.00 0.00 33.50 31.75 1rjx n PRO 559 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1rjx h GLY 560 N 1.39 0.00 -0.69 -1.23 0.00 -1.91 -2.92 103.07 97.72 1rjx h GLY 560 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 1rjx h GLY 560 CO 0.57 0.00 0.00 0.00 0.00 0.00 0.00 176.54 177.11 1rjx n ALA 561 N -2.40 2.48 -2.71 3.60 0.00 -1.26 -4.83 120.51 115.39 1rjx n ALA 561 Ca 0.01 -0.38 -0.40 0.00 0.00 0.00 0.00 53.44 52.67 1rjx n ALA 561 Cb 0.27 -1.02 -0.04 0.00 0.00 0.00 0.00 19.45 18.65 1rjx n ALA 561 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1rjx s VAL 562 N -1.74 5.02 0.11 0.00 1.01 -1.10 -5.05 120.40 118.65 1rjx s VAL 562 Ca 0.18 1.52 -0.29 0.00 0.00 0.00 0.00 61.98 63.39 1rjx s VAL 562 Cb 0.09 -4.07 -0.06 0.00 0.00 0.00 0.00 36.38 32.34 1rjx s VAL 562 CO 0.13 0.24 0.91 -0.69 0.00 0.00 0.00 175.10 175.69 1rjx s VAL 563 N 0.82 4.51 0.00 2.92 1.01 -1.26 -3.50 120.40 124.90 1rjx s VAL 563 Ca 0.39 1.96 0.00 0.00 0.00 0.00 0.00 61.98 64.34 1rjx s VAL 563 Cb -0.18 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 31.93 1rjx s VAL 563 CO 0.19 0.35 0.00 0.61 0.00 0.00 0.00 175.10 176.25 1rjx n GLY 564 N 2.19 1.67 7.00 4.51 0.00 -1.25 -4.89 105.19 114.42 1rjx n GLY 564 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1rjx n GLY 564 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rjx n GLY 565 N -2.00 -1.45 3.20 -0.02 0.00 -1.23 -4.92 105.19 98.77 1rjx n GLY 565 Ca 0.00 -1.29 -0.14 0.00 0.00 0.00 0.00 46.02 44.59 1rjx n GLY 565 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rjx s VAL 567 N -2.71 3.97 0.60 0.00 1.01 -1.26 -1.06 120.40 120.95 1rjx s VAL 567 Ca 0.09 1.43 -0.17 0.00 0.00 0.00 0.00 61.98 63.33 1rjx s VAL 567 Cb -0.01 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.42 1rjx s VAL 567 CO 0.00 0.12 1.13 0.00 0.00 0.00 0.00 175.10 176.35 1rjx s ALA 568 N 0.99 2.58 0.16 5.51 0.00 -0.06 -4.87 121.76 126.07 1rjx s ALA 568 Ca 0.59 0.72 -0.30 0.00 0.00 0.00 0.00 51.96 52.96 1rjx s ALA 568 Cb -0.30 -3.35 -0.08 0.00 0.00 0.00 0.00 23.12 19.39 1rjx s ALA 568 CO 0.30 -1.04 1.30 0.71 0.00 0.00 0.00 175.76 177.03 1rjx s TYR 569 N -2.01 3.30 0.15 0.00 2.02 -1.26 -4.91 117.35 114.63 1rjx s TYR 569 Ca 0.71 1.19 -0.34 0.00 -0.37 0.00 0.00 57.07 58.25 1rjx s TYR 569 Cb -0.23 -3.58 -0.16 0.00 -0.40 0.00 0.00 41.96 37.60 1rjx s TYR 569 CO 0.34 -1.85 1.27 -2.30 -1.57 0.00 0.00 175.55 171.44 1rjx n PRO 570 N 3.12 1.29 -1.13 -1.71 -0.02 -1.26 -1.80 135.00 133.49 1rjx n PRO 570 Ca 0.08 0.46 -0.05 0.00 -2.02 0.00 0.00 63.50 61.97 1rjx n PRO 570 Cb 0.43 -2.04 -0.02 0.00 -0.02 0.00 0.00 33.50 31.86 1rjx n PRO 570 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1rjx n HIS 571 N 2.00 0.00 1.08 6.00 8.25 -1.26 -4.87 115.22 126.42 1rjx n HIS 571 Ca 0.16 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.76 1rjx n HIS 571 Cb 0.23 -1.77 0.64 0.00 1.12 0.00 0.00 29.99 30.22 1rjx n HIS 571 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1rjx n SER 572 N -0.59 0.01 -3.47 0.41 3.41 -0.74 -3.83 113.62 108.81 1rjx n SER 572 Ca -0.05 0.37 -0.26 0.00 -0.26 0.00 0.00 58.87 58.67 1rjx n SER 572 Cb 0.39 -0.45 -0.09 0.00 -0.26 0.00 0.00 64.21 63.80 1rjx n SER 572 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1rjx n TRP 573 N -1.46 1.95 0.25 7.33 7.02 -1.26 -4.44 117.44 126.83 1rjx n TRP 573 Ca 0.08 -3.93 0.13 0.00 -1.02 0.00 0.00 57.50 52.77 1rjx n TRP 573 Cb 0.32 -0.41 0.67 0.00 -2.42 0.00 0.00 31.31 29.47 1rjx n TRP 573 CO 0.00 0.00 0.00 -1.00 -2.02 0.00 0.00 177.69 174.67 1rjx h PRO 574 N 4.60 0.00 -0.09 -0.99 0.13 -1.79 -1.83 132.00 132.03 1rjx h PRO 574 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1rjx h PRO 574 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1rjx h PRO 574 CO 0.65 0.00 0.00 -2.67 -0.23 0.00 0.00 178.00 175.75 1rjx n TRP 575 N -2.43 0.10 -2.32 1.56 2.14 -0.77 -2.64 117.44 113.08 1rjx n TRP 575 Ca -0.01 -0.05 -0.42 0.00 2.07 0.00 0.00 57.50 59.09 1rjx n TRP 575 Cb 0.10 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.57 1rjx n TRP 575 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1rjx s GLN 576 N -1.90 4.35 0.05 -2.67 2.00 -0.69 -0.66 119.66 120.13 1rjx s GLN 576 Ca 0.35 1.87 0.05 0.00 -2.00 0.00 0.00 55.36 55.62 1rjx s GLN 576 Cb 0.20 -3.44 -0.04 0.00 0.80 0.00 0.00 33.01 30.53 1rjx s GLN 576 CO 0.31 -0.43 -0.07 0.08 -0.50 0.00 0.00 175.29 174.69 1rjx s VAL 577 N 1.71 3.63 -0.20 1.34 1.01 -0.23 -4.40 120.40 123.25 1rjx s VAL 577 Ca 0.61 -0.95 -0.02 0.00 0.00 0.00 0.00 61.98 61.62 1rjx s VAL 577 Cb -0.30 -2.63 -0.01 0.00 0.00 0.00 0.00 36.38 33.44 1rjx s VAL 577 CO 0.27 0.27 -0.08 -0.55 0.00 0.00 0.00 175.10 175.01 1rjx s SER 578 N -1.78 4.08 -0.16 3.32 0.15 -0.43 -2.72 113.70 116.15 1rjx s SER 578 Ca 0.20 -0.41 -0.15 0.00 0.70 0.00 0.00 55.95 56.28 1rjx s SER 578 Cb -0.11 -1.68 -0.04 0.00 -1.71 0.00 0.00 66.02 62.48 1rjx s SER 578 CO 0.11 0.02 0.36 -0.22 1.20 0.00 0.00 173.24 174.71 1rjx s LEU 579 N 1.22 4.22 0.13 3.45 0.20 0.64 -0.54 118.68 128.00 1rjx s LEU 579 Ca 0.02 0.57 0.04 0.00 0.69 0.00 0.00 54.13 55.45 1rjx s LEU 579 Cb -0.14 -2.47 -0.04 0.00 -0.43 0.00 0.00 46.19 43.10 1rjx s LEU 579 CO -0.03 0.03 -0.09 -0.13 -0.29 0.00 0.00 176.35 175.84 1rjx s ARG 580 N 0.74 0.97 0.87 1.98 0.52 0.34 -1.35 118.95 123.03 1rjx s ARG 580 Ca 0.19 -1.37 -0.13 0.00 -0.52 0.00 0.00 55.73 53.90 1rjx s ARG 580 Cb -0.14 -0.51 0.12 0.00 0.52 0.00 0.00 34.95 34.95 1rjx s ARG 580 CO 0.06 0.05 1.19 0.95 0.02 0.00 0.00 175.30 177.58 1rjx s THR 581 N -3.23 1.99 0.33 0.02 -4.23 -1.05 0.25 115.64 109.72 1rjx s THR 581 Ca 0.13 0.00 0.05 0.00 -1.18 0.00 0.00 61.69 60.69 1rjx s THR 581 Cb 0.02 -2.92 0.30 0.00 1.34 0.00 0.00 72.50 71.24 1rjx s THR 581 CO -0.01 0.00 1.90 0.08 -0.54 0.00 0.00 174.62 176.05 1rjx h ARG 582 N -1.32 0.81 0.00 3.99 0.11 -1.78 0.29 114.38 116.48 1rjx h ARG 582 Ca -0.47 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 59.56 1rjx h ARG 582 Cb 1.31 -0.18 0.00 0.00 1.11 0.00 0.00 29.97 32.21 1rjx h ARG 582 CO 0.59 0.54 0.00 1.19 0.10 0.00 0.00 179.97 182.39 1rjx n PHE 583 N -4.52 0.00 -2.59 4.08 3.01 -1.26 -4.85 117.46 111.33 1rjx n PHE 583 Ca 0.15 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.50 1rjx n PHE 583 Cb 0.32 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.80 1rjx n PHE 583 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1rjx n GLY 584 N 0.08 0.10 3.45 1.37 0.00 0.10 -5.02 105.19 105.28 1rjx n GLY 584 Ca 0.00 -0.36 -0.36 0.00 0.00 0.00 0.00 46.02 45.31 1rjx n GLY 584 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1rjx s MET 585 N -5.04 3.65 0.05 1.61 0.00 -1.25 -4.86 119.30 113.45 1rjx s MET 585 Ca 0.13 -0.49 -0.31 0.00 0.00 0.00 0.00 55.69 55.03 1rjx s MET 585 Cb -0.06 -3.22 -0.07 0.00 0.00 0.00 0.00 34.83 31.49 1rjx s MET 585 CO 0.17 -0.09 1.45 -1.58 0.00 0.00 0.00 175.02 174.96 1rjx s HIS 586 N 1.31 2.89 0.00 4.11 2.46 -1.26 -2.53 115.29 122.27 1rjx s HIS 586 Ca 0.04 0.76 0.00 0.00 0.47 0.00 0.00 55.06 56.34 1rjx s HIS 586 Cb -0.15 -3.73 0.00 0.00 -0.13 0.00 0.00 32.58 28.58 1rjx s HIS 586 CO 0.02 -2.70 0.00 1.97 -2.47 0.00 0.00 174.74 171.57 1rjx n PHE 587 N 4.99 0.00 -3.81 3.88 1.16 -0.46 -5.00 117.46 118.22 1rjx n PHE 587 Ca 0.13 0.00 -0.06 0.00 -1.87 0.00 0.00 57.45 55.65 1rjx n PHE 587 Cb 0.43 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.28 1rjx n PHE 587 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1rjx n GLY 589 N -0.46 3.58 3.63 0.00 0.00 -0.19 -0.26 105.19 111.49 1rjx n GLY 589 Ca -0.05 -2.31 0.04 0.00 0.00 0.00 0.00 46.02 43.70 1rjx n GLY 589 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rjx s GLY 590 N -2.96 -0.46 -0.07 -0.02 0.00 -1.10 -4.01 107.32 98.71 1rjx s GLY 590 Ca 0.04 0.83 0.02 0.00 0.00 0.00 0.00 44.72 45.62 1rjx s GLY 590 CO 0.03 1.20 -0.11 -1.59 0.00 0.00 0.00 173.10 172.63 1rjx s THR 591 N -2.03 1.06 -0.12 0.90 2.01 -0.03 -1.07 115.64 116.36 1rjx s THR 591 Ca 0.18 -0.43 -0.30 0.00 0.31 0.00 0.00 61.69 61.46 1rjx s THR 591 Cb 0.07 -0.99 -0.02 0.00 0.01 0.00 0.00 72.50 71.57 1rjx s THR 591 CO -0.06 0.34 1.20 -0.22 -0.69 0.00 0.00 174.62 175.19 1rjx s LEU 592 N 0.77 4.22 0.00 4.42 2.96 0.16 -0.49 118.68 130.73 1rjx s LEU 592 Ca -0.13 1.71 0.02 0.00 -0.22 0.00 0.00 54.13 55.52 1rjx s LEU 592 Cb -0.15 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 42.99 1rjx s LEU 592 CO 0.02 -0.66 0.36 2.30 -1.32 0.00 0.00 176.35 177.06 1rjx n ILE 593 N 4.99 0.00 -3.46 6.68 -5.35 -0.31 -1.03 119.36 120.88 1rjx n ILE 593 Ca 0.12 -0.48 -0.10 0.00 -0.27 0.00 0.00 62.75 62.02 1rjx n ILE 593 Cb 0.46 1.03 -0.02 0.00 -1.74 0.00 0.00 39.64 39.36 1rjx n ILE 593 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 1rjx s SER 594 N -0.61 -0.46 0.56 7.28 0.01 -1.10 -4.75 113.70 114.62 1rjx s SER 594 Ca 0.02 0.00 0.26 0.00 1.31 0.00 0.00 55.95 57.54 1rjx s SER 594 Cb 0.02 0.49 1.50 0.00 0.21 0.00 0.00 66.02 68.24 1rjx s SER 594 CO 0.05 -0.78 2.07 -0.65 0.41 0.00 0.00 173.24 174.33 1rjx h PRO 595 N 2.00 0.00 -0.08 12.44 0.11 -1.96 -2.03 132.00 142.48 1rjx h PRO 595 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1rjx h PRO 595 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1rjx h PRO 595 CO 0.34 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.52 1rjx n GLU 596 N -4.10 1.14 -4.56 1.05 1.02 -1.26 -0.35 120.64 113.58 1rjx n GLU 596 Ca 0.04 -1.42 -0.24 0.00 -0.02 0.00 0.00 57.16 55.52 1rjx n GLU 596 Cb 0.39 -1.26 -0.16 0.00 -0.02 0.00 0.00 31.44 30.40 1rjx n GLU 596 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1rjx s TRP 597 N -1.05 1.34 -0.10 -0.32 0.52 -0.76 -1.38 118.94 117.18 1rjx s TRP 597 Ca 0.17 -0.44 0.03 0.00 0.02 0.00 0.00 56.10 55.88 1rjx s TRP 597 Cb 0.11 -0.97 0.00 0.00 -1.15 0.00 0.00 33.47 31.46 1rjx s TRP 597 CO 0.16 -0.22 -0.22 0.08 0.02 0.00 0.00 176.95 176.78 1rjx s VAL 598 N 0.48 1.92 -0.22 4.03 1.01 -0.58 -1.17 120.40 125.88 1rjx s VAL 598 Ca -0.10 -0.93 -0.10 0.00 0.00 0.00 0.00 61.98 60.85 1rjx s VAL 598 Cb -0.14 -1.68 -0.05 0.00 0.00 0.00 0.00 36.38 34.52 1rjx s VAL 598 CO 0.03 0.53 0.13 -0.22 0.00 0.00 0.00 175.10 175.57 1rjx s LEU 599 N 0.50 4.08 0.00 3.92 2.96 0.36 -0.94 118.68 129.56 1rjx s LEU 599 Ca -0.16 0.13 0.00 0.00 -0.22 0.00 0.00 54.13 53.89 1rjx s LEU 599 Cb -0.17 -2.07 0.00 0.00 0.50 0.00 0.00 46.19 44.45 1rjx s LEU 599 CO 0.06 0.12 0.00 1.07 -1.32 0.00 0.00 176.35 176.27 1rjx n THR 600 N 3.95 0.00 -3.66 3.68 5.66 -0.53 -0.85 114.28 122.52 1rjx n THR 600 Ca -0.16 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.47 1rjx n THR 600 Cb 0.52 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.24 1rjx n THR 600 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1rjx s ALA 601 N -2.00 3.75 0.46 1.79 0.00 -1.26 -1.47 121.76 123.04 1rjx s ALA 601 Ca 0.00 -0.43 0.14 0.00 0.00 0.00 0.00 51.96 51.67 1rjx s ALA 601 Cb 0.00 -2.22 1.09 0.00 0.00 0.00 0.00 23.12 21.99 1rjx s ALA 601 CO 0.00 0.46 2.04 0.00 0.00 0.00 0.00 175.76 178.26 1rjx h ALA 602 N 5.18 2.01 0.00 0.00 0.00 -0.59 -1.44 119.26 124.43 1rjx h ALA 602 Ca -0.51 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 1rjx h ALA 602 Cb 1.21 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1rjx h ALA 602 CO 0.63 -0.08 -0.06 1.25 0.00 0.00 0.00 179.25 180.99 1rjx h HIS 603 N 0.29 0.00 0.00 0.00 -0.00 -1.86 -0.43 115.15 113.15 1rjx h HIS 603 Ca 0.18 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.54 1rjx h HIS 603 Cb 0.34 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.74 1rjx h HIS 603 CO -0.00 0.06 -0.03 0.00 -0.00 0.00 0.00 177.93 177.96 1rjx n LEU 605 N -3.37 4.17 0.19 0.00 4.77 -0.17 -4.53 117.00 118.06 1rjx n LEU 605 Ca -0.02 -2.09 0.03 0.00 -0.03 0.00 0.00 56.01 53.89 1rjx n LEU 605 Cb 0.14 -0.52 0.36 0.00 -2.33 0.00 0.00 43.42 41.07 1rjx n LEU 605 CO 0.25 0.85 0.71 -0.33 -1.33 0.00 0.00 177.39 177.54 1rjx h GLU 606 N 3.99 0.00 -0.00 3.23 5.08 -1.56 -3.07 114.58 122.24 1rjx h GLU 606 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1rjx h GLU 606 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1rjx h GLU 606 CO 0.12 0.38 -0.05 1.17 -1.00 0.00 0.00 179.01 179.63 1rjx n LYS 607 N -3.96 0.70 -3.64 2.33 3.00 -1.26 -4.84 118.16 110.48 1rjx n LYS 607 Ca -0.02 -0.14 -0.06 0.00 -0.00 0.00 0.00 58.31 58.09 1rjx n LYS 607 Cb 0.43 -1.50 -0.07 0.00 0.00 0.00 0.00 35.03 33.89 1rjx n LYS 607 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1rjx s SER 608 N -2.40 -0.43 0.00 3.14 0.15 -1.16 -5.02 113.70 107.97 1rjx s SER 608 Ca 0.33 0.77 0.25 0.00 0.70 0.00 0.00 55.95 58.00 1rjx s SER 608 Cb 0.20 0.94 0.45 0.00 -1.71 0.00 0.00 66.02 65.91 1rjx s SER 608 CO 0.45 -0.13 1.37 -0.81 1.20 0.00 0.00 173.24 175.32 1rjx n PRO 609 N 2.75 0.56 -2.86 5.44 -0.04 -1.26 -4.85 135.00 134.74 1rjx n PRO 609 Ca -0.15 -0.38 -0.43 0.00 -0.04 0.00 0.00 63.50 62.51 1rjx n PRO 609 Cb 0.57 -1.49 -0.04 0.00 -0.04 0.00 0.00 33.50 32.49 1rjx n PRO 609 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1rjx s ARG 610 N -2.70 3.37 0.64 0.54 6.06 -1.26 -4.93 118.95 120.68 1rjx s ARG 610 Ca 0.18 -0.19 0.27 0.00 -2.50 0.00 0.00 55.73 53.49 1rjx s ARG 610 Cb 0.18 -4.02 1.44 0.00 0.06 0.00 0.00 34.95 32.61 1rjx s ARG 610 CO 0.62 -1.39 1.82 -1.00 -2.50 0.00 0.00 175.30 172.85 1rjx h PRO 611 N 9.23 0.00 0.00 5.12 0.13 -1.87 0.42 132.00 145.03 1rjx h PRO 611 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1rjx h PRO 611 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1rjx h PRO 611 CO 1.06 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.70 1rjx n SER 612 N -3.08 0.01 0.00 1.44 3.41 -1.25 -3.27 113.62 110.88 1rjx n SER 612 Ca 0.01 0.50 0.12 0.00 -0.26 0.00 0.00 58.87 59.24 1rjx n SER 612 Cb 0.53 -0.51 0.57 0.00 -0.26 0.00 0.00 64.21 64.54 1rjx n SER 612 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1rjx n SER 613 N -1.51 0.00 -4.38 4.04 7.64 0.14 -4.80 113.62 114.75 1rjx n SER 613 Ca 0.06 0.24 -0.32 0.00 1.01 0.00 0.00 58.87 59.87 1rjx n SER 613 Cb 0.31 -0.40 -0.15 0.00 -1.01 0.00 0.00 64.21 62.96 1rjx n SER 613 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1rjx s TYR 614 N -2.81 2.51 -0.02 1.43 2.02 -1.20 -2.40 117.35 116.88 1rjx s TYR 614 Ca 0.17 -0.34 0.07 0.00 -0.37 0.00 0.00 57.07 56.60 1rjx s TYR 614 Cb 0.16 -1.57 -0.02 0.00 -0.40 0.00 0.00 41.96 40.14 1rjx s TYR 614 CO 0.41 0.05 -0.23 0.15 -1.57 0.00 0.00 175.55 174.36 1rjx s LYS 615 N -0.62 1.96 -0.31 -0.62 1.02 0.14 -2.52 119.74 118.78 1rjx s LYS 615 Ca 0.09 -0.83 -0.08 0.00 0.02 0.00 0.00 55.97 55.17 1rjx s LYS 615 Cb -0.11 -1.85 0.01 0.00 -0.52 0.00 0.00 37.83 35.36 1rjx s LYS 615 CO 0.00 0.48 0.11 0.08 -0.92 0.00 0.00 175.35 175.10 1rjx s VAL 616 N -0.49 4.15 -0.33 3.17 1.01 0.35 -0.50 120.40 127.76 1rjx s VAL 616 Ca 0.07 -0.69 -0.14 0.00 0.00 0.00 0.00 61.98 61.22 1rjx s VAL 616 Cb -0.10 -3.17 -0.02 0.00 0.00 0.00 0.00 36.38 33.10 1rjx s VAL 616 CO -0.00 0.02 0.30 -0.63 0.00 0.00 0.00 175.10 174.79 1rjx s ILE 617 N 1.52 5.22 0.08 2.22 1.09 0.30 -1.67 121.20 129.96 1rjx s ILE 617 Ca 0.03 -0.03 0.07 0.00 -1.10 0.00 0.00 60.65 59.62 1rjx s ILE 617 Cb -0.18 -3.76 -0.04 0.00 -1.06 0.00 0.00 42.46 37.43 1rjx s ILE 617 CO 0.04 -0.03 -0.13 -0.76 -0.10 0.00 0.00 174.94 173.96 1rjx s LEU 618 N 1.89 2.88 0.00 2.97 1.02 0.07 -1.32 118.68 126.19 1rjx s LEU 618 Ca 0.09 -0.40 0.00 0.00 0.02 0.00 0.00 54.13 53.84 1rjx s LEU 618 Cb -0.17 -1.69 0.00 0.00 0.02 0.00 0.00 46.19 44.35 1rjx s LEU 618 CO 0.11 0.21 0.00 0.61 0.02 0.00 0.00 176.35 177.30 1rjx n GLY 619 N 1.04 0.70 3.90 -3.19 0.00 -1.26 -1.54 105.19 104.85 1rjx n GLY 619 Ca -0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.59 1rjx n GLY 619 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rjx s ALA 620 N -2.16 3.31 0.00 4.61 0.00 -1.26 -4.80 121.76 121.46 1rjx s ALA 620 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.47 1rjx s ALA 620 Cb 0.00 -2.68 0.00 0.00 0.00 0.00 0.00 23.12 20.44 1rjx s ALA 620 CO 0.00 -0.55 0.00 1.58 0.00 0.00 0.00 175.76 176.79 1rjx n HIS 621 N -2.45 0.00 -2.79 0.00 -0.00 -1.26 -4.67 115.22 104.05 1rjx n HIS 621 Ca 0.03 0.00 -0.32 0.00 0.46 0.00 0.00 57.72 57.89 1rjx n HIS 621 Cb 0.56 0.28 -0.05 0.00 -0.12 0.00 0.00 29.99 30.66 1rjx n HIS 621 CO 0.00 0.00 0.00 -0.65 0.46 0.00 0.00 176.34 176.15 1rjx s GLN 622 N -1.86 3.99 -0.07 1.57 -0.21 -1.26 -1.52 119.66 120.31 1rjx s GLN 622 Ca 0.00 0.81 -0.17 0.00 0.02 0.00 0.00 55.36 56.02 1rjx s GLN 622 Cb 0.00 -2.28 -0.29 0.00 1.00 0.00 0.00 33.01 31.44 1rjx s GLN 622 CO 0.00 -0.05 0.69 1.49 -2.12 0.00 0.00 175.29 175.30 1rjx h GLU 623 N 1.57 0.30 0.00 2.91 4.81 -0.99 -3.45 114.58 119.74 1rjx h GLU 623 Ca -0.48 -0.51 0.00 0.00 -0.13 0.00 0.00 59.36 58.24 1rjx h GLU 623 Cb 1.18 0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.75 1rjx h GLU 623 CO 0.63 1.25 0.00 0.28 -0.73 0.00 0.00 179.01 180.43 1rjx n VAL 624 N -3.92 0.00 -1.84 0.32 0.31 -1.26 -4.77 118.33 107.17 1rjx n VAL 624 Ca -0.21 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 63.91 1rjx n VAL 624 Cb 0.92 -0.63 -0.06 0.00 -0.91 0.00 0.00 33.84 33.16 1rjx n VAL 624 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1rjx s ASN 625 N -1.00 4.59 0.29 4.52 0.01 -1.26 -4.87 114.94 117.21 1rjx s ASN 625 Ca 0.00 -0.36 -0.30 0.00 -0.71 0.00 0.00 52.86 51.49 1rjx s ASN 625 Cb 0.00 -2.56 -0.12 0.00 0.41 0.00 0.00 41.25 38.99 1rjx s ASN 625 CO 0.00 -3.25 1.62 -0.76 -1.51 0.00 0.00 177.10 173.20 1rjx s LEU 626 N 12.17 4.34 0.63 0.60 1.43 -1.26 -4.81 118.68 131.78 1rjx s LEU 626 Ca 0.80 2.96 -0.17 0.00 -1.03 0.00 0.00 54.13 56.69 1rjx s LEU 626 Cb -0.09 -3.63 -0.08 0.00 0.03 0.00 0.00 46.19 42.41 1rjx s LEU 626 CO 0.03 -0.94 0.38 -0.62 0.23 0.00 0.00 176.35 175.43 1rjx n GLU 627 N 2.39 0.35 -0.19 1.70 4.71 -1.26 -4.90 120.64 123.44 1rjx n GLU 627 Ca 0.09 0.15 -0.02 0.00 -0.01 0.00 0.00 57.16 57.37 1rjx n GLU 627 Cb 0.37 -1.61 0.09 0.00 -1.01 0.00 0.00 31.44 29.27 1rjx n GLU 627 CO 0.00 0.00 0.00 -1.35 0.09 0.00 0.00 177.13 175.87 1rjx h PRO 628 N -0.04 0.45 -0.60 3.49 0.11 -1.99 -3.12 132.00 130.32 1rjx h PRO 628 Ca -0.45 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 65.48 1rjx h PRO 628 Cb 1.39 -0.10 -0.09 0.00 0.11 0.00 0.00 31.00 32.30 1rjx h PRO 628 CO 0.44 0.30 0.16 0.72 -0.21 0.00 0.00 178.00 179.41 1rjx n HIS 629 N -4.93 2.01 -1.96 0.65 8.25 -1.26 -4.97 115.22 112.99 1rjx n HIS 629 Ca 0.07 -1.15 -0.42 0.00 -0.26 0.00 0.00 57.72 55.96 1rjx n HIS 629 Cb 0.21 -0.59 -0.03 0.00 1.12 0.00 0.00 29.99 30.71 1rjx n HIS 629 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1rjx s VAL 630 N -2.98 2.73 -0.04 1.59 1.01 -1.18 -4.98 120.40 116.56 1rjx s VAL 630 Ca 0.52 0.51 -0.28 0.00 0.00 0.00 0.00 61.98 62.73 1rjx s VAL 630 Cb 0.42 -3.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.44 1rjx s VAL 630 CO 0.11 0.04 0.91 -1.10 0.00 0.00 0.00 175.10 175.06 1rjx s GLN 631 N 1.22 4.50 -0.21 2.72 -0.21 -0.59 -4.93 119.66 122.16 1rjx s GLN 631 Ca 0.70 1.27 0.01 0.00 0.02 0.00 0.00 55.36 57.35 1rjx s GLN 631 Cb -0.43 -3.47 0.05 0.00 1.00 0.00 0.00 33.01 30.16 1rjx s GLN 631 CO 0.31 -0.07 -0.07 -2.00 -2.12 0.00 0.00 175.29 171.34 1rjx s GLU 632 N 1.14 1.71 -0.02 2.91 2.12 -1.26 -0.75 118.70 124.55 1rjx s GLU 632 Ca 0.47 -0.85 0.02 0.00 0.36 0.00 0.00 54.97 54.97 1rjx s GLU 632 Cb -0.20 -2.43 0.00 0.00 0.26 0.00 0.00 34.13 31.77 1rjx s GLU 632 CO 0.24 -0.51 -0.08 0.42 -0.54 0.00 0.00 175.26 174.79 1rjx s ILE 633 N 1.44 0.66 0.29 -3.70 1.01 -0.67 -4.95 121.20 115.28 1rjx s ILE 633 Ca -0.03 -0.30 -0.29 0.00 0.00 0.00 0.00 60.65 60.03 1rjx s ILE 633 Cb -0.17 -0.59 -0.09 0.00 0.01 0.00 0.00 42.46 41.61 1rjx s ILE 633 CO -0.07 0.21 1.06 -1.61 0.00 0.00 0.00 174.94 174.53 1rjx s GLU 634 N 0.20 4.63 0.11 2.79 0.41 -1.26 -0.49 118.70 125.09 1rjx s GLU 634 Ca -0.03 1.70 -0.27 0.00 -0.41 0.00 0.00 54.97 55.97 1rjx s GLU 634 Cb -0.08 -3.13 -0.06 0.00 -1.78 0.00 0.00 34.13 29.08 1rjx s GLU 634 CO 0.00 0.23 0.83 0.08 -0.49 0.00 0.00 175.26 175.92 1rjx s VAL 635 N -1.23 4.53 -0.14 2.63 1.01 -1.05 0.57 120.40 126.72 1rjx s VAL 635 Ca 0.45 1.80 0.07 0.00 0.00 0.00 0.00 61.98 64.30 1rjx s VAL 635 Cb -0.29 -4.19 -0.23 0.00 0.00 0.00 0.00 36.38 31.66 1rjx s VAL 635 CO 0.37 0.40 0.26 -1.54 0.00 0.00 0.00 175.10 174.60 1rjx n SER 636 N 2.40 1.21 -3.83 3.32 3.41 0.13 -3.97 113.62 116.29 1rjx n SER 636 Ca -0.02 0.15 -0.12 0.00 -0.26 0.00 0.00 58.87 58.62 1rjx n SER 636 Cb 0.49 -0.09 -0.09 0.00 -0.26 0.00 0.00 64.21 64.27 1rjx n SER 636 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1rjx s ARG 637 N -2.55 0.59 -0.07 4.33 0.52 -1.17 -4.72 118.95 115.88 1rjx s ARG 637 Ca -0.17 -0.41 0.04 0.00 -0.52 0.00 0.00 55.73 54.67 1rjx s ARG 637 Cb 0.07 0.25 -0.02 0.00 0.52 0.00 0.00 34.95 35.78 1rjx s ARG 637 CO 0.77 -0.16 -0.19 -0.51 0.02 0.00 0.00 175.30 175.22 1rjx s LEU 638 N -1.57 2.40 -0.24 2.53 1.43 -1.26 -0.80 118.68 121.16 1rjx s LEU 638 Ca -0.12 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 52.60 1rjx s LEU 638 Cb -0.05 -1.48 0.07 0.00 0.03 0.00 0.00 46.19 44.76 1rjx s LEU 638 CO 0.01 0.25 -0.02 -0.36 0.23 0.00 0.00 176.35 176.46 1rjx s PHE 639 N -0.19 2.24 0.02 0.29 0.40 0.18 -4.98 117.98 115.94 1rjx s PHE 639 Ca -0.02 -1.70 -0.26 0.00 -0.60 0.00 0.00 56.93 54.35 1rjx s PHE 639 Cb -0.13 -1.59 -0.05 0.00 0.51 0.00 0.00 43.02 41.76 1rjx s PHE 639 CO 0.03 -0.77 0.82 -1.17 0.70 0.00 0.00 175.22 174.84 1rjx s LEU 640 N 1.45 4.41 0.35 -0.37 2.96 -1.26 -1.03 118.68 125.18 1rjx s LEU 640 Ca -0.03 1.48 -0.29 0.00 -0.22 0.00 0.00 54.13 55.07 1rjx s LEU 640 Cb -0.19 -3.32 -0.11 0.00 0.50 0.00 0.00 46.19 43.08 1rjx s LEU 640 CO -0.08 -0.09 1.52 -0.70 -1.32 0.00 0.00 176.35 175.69 1rjx s GLU 641 N 0.38 4.11 0.02 1.98 -6.30 -0.78 -4.95 118.70 113.17 1rjx s GLU 641 Ca 0.42 2.57 0.13 0.00 -2.50 0.00 0.00 54.97 55.59 1rjx s GLU 641 Cb -0.20 -2.99 -0.19 0.00 0.00 0.00 0.00 34.13 30.75 1rjx s GLU 641 CO 0.24 -0.56 0.83 -1.00 0.02 0.00 0.00 175.26 174.78 1rjx h PRO 642 N 3.62 0.00 0.00 4.30 0.13 -1.95 -3.18 132.00 134.92 1rjx h PRO 642 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1rjx h PRO 642 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1rjx h PRO 642 CO 0.69 0.52 0.00 0.25 -0.23 0.00 0.00 178.00 179.24 1rjx n THR 643 N -3.06 0.00 0.09 1.56 -2.24 -1.26 -4.48 114.28 104.88 1rjx n THR 643 Ca -0.12 0.69 -0.14 0.00 -2.27 0.00 0.00 64.05 62.22 1rjx n THR 643 Cb 0.97 -1.44 -0.13 0.00 -2.10 0.00 0.00 70.33 67.63 1rjx n THR 643 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1rjx h ARG 644 N 0.00 0.20 -3.43 -0.78 2.47 -2.01 -3.48 114.38 107.36 1rjx h ARG 644 Ca 0.00 -0.34 -0.28 0.00 -1.26 0.00 0.00 59.98 58.10 1rjx h ARG 644 Cb 0.00 0.13 0.05 0.00 -1.65 0.00 0.00 29.97 28.50 1rjx h ARG 644 CO 0.00 1.15 -0.42 1.63 0.56 0.00 0.00 179.97 182.89 1rjx n LYS 645 N -3.48 -3.80 -0.03 0.04 5.02 -1.20 -4.90 118.16 109.80 1rjx n LYS 645 Ca -0.07 0.61 0.05 0.00 -2.02 0.00 0.00 58.31 56.88 1rjx n LYS 645 Cb 1.00 -4.86 -0.16 0.00 -0.02 0.00 0.00 35.03 30.99 1rjx n LYS 645 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1rjx n ASP 646 N -1.24 0.17 -4.44 4.39 8.00 -1.26 -4.66 116.55 117.51 1rjx n ASP 646 Ca -0.06 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.22 1rjx n ASP 646 Cb 0.57 1.68 -0.10 0.00 -0.02 0.00 0.00 41.12 43.26 1rjx n ASP 646 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1rjx s ILE 647 N -3.18 2.07 0.02 0.53 -4.36 -1.26 0.03 121.20 115.04 1rjx s ILE 647 Ca -0.08 -2.26 -0.06 0.00 -0.26 0.00 0.00 60.65 57.98 1rjx s ILE 647 Cb 0.11 -2.32 -0.00 0.00 1.25 0.00 0.00 42.46 41.50 1rjx s ILE 647 CO 0.86 -0.40 0.12 0.00 0.24 0.00 0.00 174.94 175.75 1rjx s ALA 648 N -2.76 -0.21 -0.17 2.27 0.00 -0.54 -1.86 121.76 118.50 1rjx s ALA 648 Ca 0.28 -0.31 -0.06 0.00 0.00 0.00 0.00 51.96 51.87 1rjx s ALA 648 Cb -0.01 0.17 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 1rjx s ALA 648 CO 0.12 -0.25 0.05 -0.51 0.00 0.00 0.00 175.76 175.17 1rjx s LEU 649 N -1.66 3.75 -0.20 0.00 1.43 -0.20 -1.46 118.68 120.34 1rjx s LEU 649 Ca -0.11 0.08 -0.06 0.00 -1.03 0.00 0.00 54.13 53.01 1rjx s LEU 649 Cb -0.05 -1.93 -0.03 0.00 0.03 0.00 0.00 46.19 44.20 1rjx s LEU 649 CO -0.01 0.21 0.03 -0.76 0.23 0.00 0.00 176.35 176.05 1rjx s LEU 650 N 0.17 3.48 -0.07 1.79 1.43 -0.12 -0.65 118.68 124.71 1rjx s LEU 650 Ca 0.04 -0.10 -0.16 0.00 -1.03 0.00 0.00 54.13 52.88 1rjx s LEU 650 Cb -0.12 -1.89 -0.05 0.00 0.03 0.00 0.00 46.19 44.16 1rjx s LEU 650 CO 0.01 0.09 0.41 -0.75 0.23 0.00 0.00 176.35 176.34 1rjx s LYS 651 N 0.87 4.12 0.03 1.70 2.20 0.02 -1.53 119.74 127.15 1rjx s LYS 651 Ca 0.02 0.37 -0.23 0.00 -0.36 0.00 0.00 55.97 55.77 1rjx s LYS 651 Cb -0.14 -3.33 -0.05 0.00 -1.51 0.00 0.00 37.83 32.79 1rjx s LYS 651 CO 0.02 0.43 0.70 -0.51 -0.36 0.00 0.00 175.35 175.63 1rjx s LEU 652 N -0.22 4.44 0.15 5.43 1.43 -0.48 0.17 118.68 129.61 1rjx s LEU 652 Ca 0.23 1.35 -0.21 0.00 -1.03 0.00 0.00 54.13 54.47 1rjx s LEU 652 Cb -0.15 -3.12 0.03 0.00 0.03 0.00 0.00 46.19 42.98 1rjx s LEU 652 CO 0.11 0.05 1.65 0.77 0.23 0.00 0.00 176.35 179.16 1rjx h SER 653 N 5.61 -0.59 -3.76 2.29 4.64 -0.15 -3.41 113.55 118.18 1rjx h SER 653 Ca -0.44 0.12 -0.68 0.00 -0.47 0.00 0.00 61.79 60.31 1rjx h SER 653 Cb 1.20 0.29 -0.19 0.00 -0.31 0.00 0.00 62.40 63.40 1rjx h SER 653 CO 0.70 -0.22 -0.74 -0.44 -0.87 0.00 0.00 176.83 175.26 1rjx s SER 654 N -5.08 4.33 0.79 4.97 0.01 -1.26 -4.98 113.70 112.48 1rjx s SER 654 Ca -0.14 -0.22 -0.14 0.00 1.31 0.00 0.00 55.95 56.76 1rjx s SER 654 Cb 0.12 -0.93 0.07 0.00 0.21 0.00 0.00 66.02 65.50 1rjx s SER 654 CO 0.69 0.29 1.21 -2.84 0.41 0.00 0.00 173.24 172.99 1rjx s PRO 655 N -1.31 1.73 0.27 12.44 0.02 -1.26 -4.92 135.00 141.96 1rjx s PRO 655 Ca 0.16 1.77 -0.25 0.00 0.02 0.00 0.00 61.00 62.70 1rjx s PRO 655 Cb -0.11 -1.78 -0.09 0.00 0.02 0.00 0.00 34.50 32.54 1rjx s PRO 655 CO 0.06 -2.15 0.87 0.00 -0.33 0.00 0.00 177.00 175.45 1rjx s ALA 656 N -2.10 3.30 -0.20 -1.55 0.00 0.53 -4.99 121.76 116.74 1rjx s ALA 656 Ca 0.74 0.43 -0.29 0.00 0.00 0.00 0.00 51.96 52.83 1rjx s ALA 656 Cb -0.29 -3.07 0.01 0.00 0.00 0.00 0.00 23.12 19.76 1rjx s ALA 656 CO 0.50 0.23 1.03 0.08 0.00 0.00 0.00 175.76 177.60 1rjx s VAL 657 N -1.50 4.70 -0.19 0.00 1.01 -1.26 -4.85 120.40 118.31 1rjx s VAL 657 Ca 0.46 2.03 -0.29 0.00 0.00 0.00 0.00 61.98 64.18 1rjx s VAL 657 Cb -0.19 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 31.88 1rjx s VAL 657 CO 0.24 -0.14 1.07 -0.63 0.00 0.00 0.00 175.10 175.64 1rjx s ILE 658 N 2.95 4.63 0.08 2.22 -1.09 -1.26 -4.76 121.20 123.97 1rjx s ILE 658 Ca 0.45 1.95 0.02 0.00 -2.23 0.00 0.00 60.65 60.84 1rjx s ILE 658 Cb -0.16 -4.26 -0.01 0.00 -1.58 0.00 0.00 42.46 36.46 1rjx s ILE 658 CO 0.09 -0.13 0.06 0.35 -1.23 0.00 0.00 174.94 174.08 1rjx n THR 659 N 5.13 0.00 1.75 2.92 -2.24 -0.70 -4.98 114.28 116.16 1rjx n THR 659 Ca 0.11 -0.58 0.09 0.00 -2.27 0.00 0.00 64.05 61.41 1rjx n THR 659 Cb 0.46 0.27 0.45 0.00 -2.10 0.00 0.00 70.33 69.42 1rjx n THR 659 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1rjx n ASP 660 N -2.48 0.53 -0.00 3.42 5.68 -1.26 -2.83 116.55 119.60 1rjx n ASP 660 Ca 0.01 -1.56 0.06 0.00 -0.50 0.00 0.00 54.79 52.80 1rjx n ASP 660 Cb 0.14 -0.04 -0.08 0.00 -1.14 0.00 0.00 41.12 40.01 1rjx n ASP 660 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1rjx n LYS 661 N -0.42 2.27 -3.54 0.11 5.02 -1.26 -4.33 118.16 116.02 1rjx n LYS 661 Ca 0.14 -0.03 -0.28 0.00 -2.02 0.00 0.00 58.31 56.12 1rjx n LYS 661 Cb 0.14 -1.13 -0.15 0.00 -0.02 0.00 0.00 35.03 33.87 1rjx n LYS 661 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1rjx s VAL 662 N -2.34 -0.10 -0.01 -0.18 1.01 -1.13 -4.37 120.40 113.28 1rjx s VAL 662 Ca 0.02 -0.65 -0.01 0.00 0.00 0.00 0.00 61.98 61.34 1rjx s VAL 662 Cb 0.09 -0.92 -0.00 0.00 0.00 0.00 0.00 36.38 35.55 1rjx s VAL 662 CO 0.50 -0.64 0.03 -0.63 0.00 0.00 0.00 175.10 174.37 1rjx s ILE 663 N 2.13 0.03 0.49 2.22 1.01 -1.08 -1.71 121.20 124.28 1rjx s ILE 663 Ca 0.08 -0.21 -0.21 0.00 0.00 0.00 0.00 60.65 60.31 1rjx s ILE 663 Cb -0.16 -0.12 -0.07 0.00 0.01 0.00 0.00 42.46 42.12 1rjx s ILE 663 CO -0.32 -0.11 1.09 -2.84 0.00 0.00 0.00 174.94 172.75 1rjx s PRO 664 N -0.34 3.69 0.47 2.79 0.02 -1.26 -1.85 135.00 138.53 1rjx s PRO 664 Ca -0.04 1.53 -0.19 0.00 0.02 0.00 0.00 61.00 62.33 1rjx s PRO 664 Cb -0.03 -2.17 -0.09 0.00 0.02 0.00 0.00 34.50 32.23 1rjx s PRO 664 CO -0.00 -0.55 0.97 0.00 -0.33 0.00 0.00 177.00 177.09 1rjx s ALA 665 N -1.80 3.05 0.37 -1.55 0.00 -0.20 0.67 121.76 122.31 1rjx s ALA 665 Ca 0.67 0.29 -0.18 0.00 0.00 0.00 0.00 51.96 52.74 1rjx s ALA 665 Cb -0.22 -3.14 -0.10 0.00 0.00 0.00 0.00 23.12 19.67 1rjx s ALA 665 CO 0.26 -0.07 0.84 0.00 0.00 0.00 0.00 175.76 176.79 1rjx s LEU 667 N -3.02 4.32 0.66 0.00 1.43 -1.26 -1.08 118.68 119.73 1rjx s LEU 667 Ca 0.57 0.42 -0.11 0.00 -1.03 0.00 0.00 54.13 53.99 1rjx s LEU 667 Cb -0.10 -3.11 -0.01 0.00 0.03 0.00 0.00 46.19 43.00 1rjx s LEU 667 CO 0.16 0.12 1.06 -2.16 0.23 0.00 0.00 176.35 175.76 1rjx s PRO 668 N -2.54 3.20 0.63 1.29 0.04 -1.26 -4.91 135.00 131.45 1rjx s PRO 668 Ca 0.37 0.58 -0.17 0.00 0.04 0.00 0.00 61.00 61.82 1rjx s PRO 668 Cb -0.13 -2.05 -0.02 0.00 0.04 0.00 0.00 34.50 32.34 1rjx s PRO 668 CO 0.26 -0.81 1.18 -1.54 0.04 0.00 0.00 177.00 176.13 1rjx s SER 669 N -4.28 5.01 0.23 6.66 1.04 -1.26 -4.89 113.70 116.21 1rjx s SER 669 Ca 0.57 2.29 -0.31 0.00 0.48 0.00 0.00 55.95 58.98 1rjx s SER 669 Cb -0.11 -2.59 -0.15 0.00 0.10 0.00 0.00 66.02 63.28 1rjx s SER 669 CO 0.53 -1.71 1.15 -2.65 0.98 0.00 0.00 173.24 171.54 1rjx n PRO 670 N -1.96 1.38 -0.99 4.02 -0.02 -1.26 -2.60 135.00 133.58 1rjx n PRO 670 Ca 0.13 0.49 -0.03 0.00 -2.02 0.00 0.00 63.50 62.06 1rjx n PRO 670 Cb 0.50 -1.97 -0.01 0.00 -0.02 0.00 0.00 33.50 32.00 1rjx n PRO 670 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1rjx n ASN 671 N 1.75 -5.10 -4.71 2.55 3.02 -0.05 -4.94 115.26 107.78 1rjx n ASN 671 Ca 0.12 0.08 -0.42 0.00 -0.03 0.00 0.00 54.58 54.34 1rjx n ASN 671 Cb 0.28 -3.31 -0.00 0.00 -0.61 0.00 0.00 39.78 36.14 1rjx n ASN 671 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rjx n TYR 672 N -1.81 2.32 -3.88 3.10 9.36 -1.07 -4.95 117.16 120.22 1rjx n TYR 672 Ca -0.03 0.53 -0.35 0.00 3.32 0.00 0.00 57.90 61.37 1rjx n TYR 672 Cb 0.46 -2.42 -0.13 0.00 -0.63 0.00 0.00 39.34 36.62 1rjx n TYR 672 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 1rjx s VAL 673 N -1.12 3.03 0.18 2.97 1.01 -1.26 -4.72 120.40 120.49 1rjx s VAL 673 Ca 0.56 -1.66 -0.32 0.00 0.00 0.00 0.00 61.98 60.57 1rjx s VAL 673 Cb -0.55 -2.88 -0.12 0.00 0.00 0.00 0.00 36.38 32.83 1rjx s VAL 673 CO 0.62 -0.32 1.76 0.52 0.00 0.00 0.00 175.10 177.68 1rjx n VAL 674 N 4.59 0.13 -1.63 2.92 0.31 -1.26 -4.93 118.33 118.46 1rjx n VAL 674 Ca -0.09 -0.02 -0.35 0.00 -0.01 0.00 0.00 64.34 63.87 1rjx n VAL 674 Cb 0.43 -2.01 0.07 0.00 -0.91 0.00 0.00 33.84 31.42 1rjx n VAL 674 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1rjx s ALA 675 N 1.71 2.27 0.38 3.52 0.00 -1.26 -4.90 121.76 123.48 1rjx s ALA 675 Ca 0.78 0.94 -0.26 0.00 0.00 0.00 0.00 51.96 53.41 1rjx s ALA 675 Cb -0.51 -3.47 -0.11 0.00 0.00 0.00 0.00 23.12 19.03 1rjx s ALA 675 CO 0.34 -1.64 1.22 -3.47 0.00 0.00 0.00 175.76 172.21 1rjx n ASP 676 N -2.33 2.33 0.00 0.00 2.03 -1.26 -2.35 116.55 114.97 1rjx n ASP 676 Ca 0.14 1.14 0.00 0.00 0.52 0.00 0.00 54.79 56.58 1rjx n ASP 676 Cb 0.50 -1.46 0.00 0.00 -0.72 0.00 0.00 41.12 39.44 1rjx n ASP 676 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1rjx n ARG 677 N 0.29 -1.27 -1.90 -0.67 1.74 0.56 -4.94 116.66 110.47 1rjx n ARG 677 Ca 0.07 0.32 -0.42 0.00 -0.77 0.00 0.00 57.85 57.05 1rjx n ARG 677 Cb 0.38 -4.31 -0.02 0.00 -1.02 0.00 0.00 32.46 27.49 1rjx n ARG 677 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1rjx s THR 678 N -1.36 2.40 -0.16 0.55 2.01 -0.99 -4.57 115.64 113.51 1rjx s THR 678 Ca 0.00 0.32 -0.25 0.00 0.31 0.00 0.00 61.69 62.07 1rjx s THR 678 Cb 0.00 -3.21 -0.01 0.00 0.01 0.00 0.00 72.50 69.29 1rjx s THR 678 CO 0.00 0.05 0.84 -1.61 -0.69 0.00 0.00 174.62 173.21 1rjx s GLU 679 N -0.14 4.31 0.40 4.92 0.41 -1.26 -0.62 118.70 126.72 1rjx s GLU 679 Ca 0.63 1.03 0.04 0.00 -0.41 0.00 0.00 54.97 56.26 1rjx s GLU 679 Cb -0.45 -3.57 -0.04 0.00 -1.78 0.00 0.00 34.13 28.29 1rjx s GLU 679 CO 0.43 -0.32 0.06 0.00 -0.49 0.00 0.00 175.26 174.94 1rjx s PHE 681 N -3.08 1.98 -0.02 0.00 0.40 0.15 -0.28 117.98 117.14 1rjx s PHE 681 Ca 0.26 -0.39 0.07 0.00 -0.60 0.00 0.00 56.93 56.26 1rjx s PHE 681 Cb 0.06 -1.14 -0.02 0.00 0.51 0.00 0.00 43.02 42.42 1rjx s PHE 681 CO 0.13 0.17 -0.21 0.96 0.70 0.00 0.00 175.22 176.97 1rjx s ILE 682 N -0.95 2.46 0.13 0.64 -4.36 0.05 -1.81 121.20 117.38 1rjx s ILE 682 Ca 0.09 -1.02 0.05 0.00 -0.26 0.00 0.00 60.65 59.51 1rjx s ILE 682 Cb -0.10 -1.92 -0.04 0.00 1.25 0.00 0.00 42.46 41.65 1rjx s ILE 682 CO 0.03 0.54 -0.12 0.42 0.24 0.00 0.00 174.94 176.05 1rjx s THR 683 N -0.70 1.25 -5.00 8.37 -4.23 -1.22 -0.62 115.64 113.49 1rjx s THR 683 Ca 0.11 -1.86 0.00 0.00 -1.18 0.00 0.00 61.69 58.76 1rjx s THR 683 Cb -0.10 -1.65 0.00 0.00 1.34 0.00 0.00 72.50 72.08 1rjx s THR 683 CO 0.00 -0.57 0.00 0.61 -0.54 0.00 0.00 174.62 174.13 1rjx n GLY 684 N 0.21 -0.57 0.62 3.99 0.00 -0.31 -4.12 105.19 105.00 1rjx n GLY 684 Ca -0.13 -1.35 0.07 0.00 0.00 0.00 0.00 46.02 44.61 1rjx n GLY 684 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1rjx n TRP 685 N 9.00 0.57 -1.37 1.61 8.01 -1.23 -0.53 117.44 133.49 1rjx n TRP 685 Ca 0.00 -0.72 -0.13 0.00 -1.31 0.00 0.00 57.50 55.34 1rjx n TRP 685 Cb 0.00 -0.17 -0.06 0.00 -2.01 0.00 0.00 31.31 29.08 1rjx n TRP 685 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1rjx n GLY 686 N -0.26 1.33 3.23 6.99 0.00 -0.85 -1.87 105.19 113.76 1rjx n GLY 686 Ca 0.15 -0.23 -0.20 0.00 0.00 0.00 0.00 46.02 45.74 1rjx n GLY 686 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1rjx n GLU 687 N -2.11 0.42 -0.20 1.61 4.07 -1.26 -4.83 120.64 118.35 1rjx n GLU 687 Ca -0.13 -3.35 -0.07 0.00 -0.06 0.00 0.00 57.16 53.55 1rjx n GLU 687 Cb 0.49 2.67 -0.00 0.00 -0.06 0.00 0.00 31.44 34.54 1rjx n GLU 687 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 1rjx n PHE 692 N -0.66 -0.28 -2.75 4.31 3.72 -1.26 -3.91 117.46 116.62 1rjx n PHE 692 Ca 0.07 0.10 -0.22 0.00 -0.05 0.00 0.00 57.45 57.35 1rjx n PHE 692 Cb 0.61 -0.28 0.09 0.00 -0.94 0.00 0.00 39.48 38.96 1rjx n PHE 692 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1rjx s GLY 693 N -0.15 1.75 0.11 1.37 0.00 -1.26 -5.02 107.32 104.11 1rjx s GLY 693 Ca 0.09 -1.88 -0.15 0.00 0.00 0.00 0.00 44.72 42.78 1rjx s GLY 693 CO 0.09 -1.36 1.52 0.00 0.00 0.00 0.00 173.10 173.36 1rjx h ALA 694 N -0.26 0.47 0.00 3.20 0.00 -1.69 -3.47 119.26 117.50 1rjx h ALA 694 Ca -0.34 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1rjx h ALA 694 Cb 1.27 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1rjx h ALA 694 CO 0.40 0.31 0.00 0.41 0.00 0.00 0.00 179.25 180.37 1rjx n GLY 695 N -0.20 2.92 3.44 0.00 0.00 -1.26 -4.96 105.19 105.13 1rjx n GLY 695 Ca -0.02 -0.76 -0.28 0.00 0.00 0.00 0.00 46.02 44.97 1rjx n GLY 695 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rjx s LEU 696 N 0.00 2.52 0.17 0.99 1.43 -1.26 -0.25 118.68 122.27 1rjx s LEU 696 Ca 0.00 -0.75 -0.32 0.00 -1.03 0.00 0.00 54.13 52.03 1rjx s LEU 696 Cb 0.00 -1.30 -0.12 0.00 0.03 0.00 0.00 46.19 44.80 1rjx s LEU 696 CO 0.00 0.14 1.75 -0.11 0.23 0.00 0.00 176.35 178.36 1rjx n LEU 697 N 0.48 3.91 -4.70 1.79 7.94 -0.57 -4.80 117.00 121.05 1rjx n LEU 697 Ca -0.14 1.04 -0.23 0.00 -1.11 0.00 0.00 56.01 55.56 1rjx n LEU 697 Cb 0.55 -1.55 -0.06 0.00 0.53 0.00 0.00 43.42 42.89 1rjx n LEU 697 CO 0.28 0.13 -0.28 -0.04 -1.11 0.00 0.00 177.39 176.37 1rjx s MET 698 N 1.72 2.48 0.05 1.96 -1.94 0.31 -0.88 119.30 123.01 1rjx s MET 698 Ca 0.78 -1.27 0.00 0.00 -1.71 0.00 0.00 55.69 53.50 1rjx s MET 698 Cb -0.52 -2.30 -0.03 0.00 2.01 0.00 0.00 34.83 33.99 1rjx s MET 698 CO 0.35 0.39 -0.05 -1.83 -0.01 0.00 0.00 175.02 173.87 1rjx s GLU 699 N -3.61 0.53 -0.11 2.03 -1.05 -0.23 -1.16 118.70 115.10 1rjx s GLU 699 Ca 0.31 -0.93 -0.15 0.00 -0.15 0.00 0.00 54.97 54.05 1rjx s GLU 699 Cb -0.07 -0.00 0.04 0.00 -0.44 0.00 0.00 34.13 33.65 1rjx s GLU 699 CO 0.21 -0.04 0.39 0.00 0.95 0.00 0.00 175.26 176.78 1rjx s ALA 700 N -2.47 -0.98 -0.24 -0.84 0.00 0.21 -1.76 121.76 115.68 1rjx s ALA 700 Ca -0.04 0.95 -0.17 0.00 0.00 0.00 0.00 51.96 52.70 1rjx s ALA 700 Cb -0.03 -0.45 -0.03 0.00 0.00 0.00 0.00 23.12 22.61 1rjx s ALA 700 CO -0.04 -0.22 0.47 -1.14 0.00 0.00 0.00 175.76 174.84 1rjx s GLN 701 N -0.23 4.11 -0.04 0.00 0.74 -1.26 -0.77 119.66 122.22 1rjx s GLN 701 Ca -0.04 0.28 0.04 0.00 0.05 0.00 0.00 55.36 55.70 1rjx s GLN 701 Cb -0.03 -3.61 -0.00 0.00 1.10 0.00 0.00 33.01 30.47 1rjx s GLN 701 CO 0.02 -0.23 -0.16 -0.51 -0.55 0.00 0.00 175.29 173.86 1rjx s LEU 702 N 1.91 1.88 0.17 3.68 1.43 0.62 -4.56 118.68 123.82 1rjx s LEU 702 Ca 0.21 -0.34 -0.23 0.00 -1.03 0.00 0.00 54.13 52.74 1rjx s LEU 702 Cb -0.15 -0.92 -0.08 0.00 0.03 0.00 0.00 46.19 45.06 1rjx s LEU 702 CO 0.09 0.13 0.73 -2.16 0.23 0.00 0.00 176.35 175.38 1rjx s PRO 703 N 0.11 4.42 0.51 1.29 0.04 -1.26 -0.87 135.00 139.24 1rjx s PRO 703 Ca -0.05 1.01 -0.21 0.00 0.04 0.00 0.00 61.00 61.80 1rjx s PRO 703 Cb -0.12 -3.13 -0.07 0.00 0.04 0.00 0.00 34.50 31.22 1rjx s PRO 703 CO 0.02 0.52 1.12 0.08 0.04 0.00 0.00 177.00 178.79 1rjx s VAL 704 N -1.27 3.26 -0.20 -0.36 1.01 0.21 -0.59 120.40 122.47 1rjx s VAL 704 Ca 0.37 0.83 0.01 0.00 0.00 0.00 0.00 61.98 63.19 1rjx s VAL 704 Cb -0.21 -3.36 0.04 0.00 0.00 0.00 0.00 36.38 32.85 1rjx s VAL 704 CO 0.24 -0.12 -0.11 -0.63 0.00 0.00 0.00 175.10 174.47 1rjx s ILE 705 N -1.74 1.70 0.43 2.22 1.01 -0.11 -0.33 121.20 124.38 1rjx s ILE 705 Ca 0.69 -1.03 -0.24 0.00 0.00 0.00 0.00 60.65 60.07 1rjx s ILE 705 Cb -0.24 -1.75 -0.10 0.00 0.01 0.00 0.00 42.46 40.38 1rjx s ILE 705 CO 0.28 0.19 1.03 -1.84 0.00 0.00 0.00 174.94 174.60 1rjx n GLU 706 N 4.67 1.38 -0.25 2.79 0.28 -1.26 -3.94 120.64 124.31 1rjx n GLU 706 Ca -0.15 0.50 0.05 0.00 -0.16 0.00 0.00 57.16 57.39 1rjx n GLU 706 Cb 0.47 -2.07 0.18 0.00 1.43 0.00 0.00 31.44 31.44 1rjx n GLU 706 CO 0.00 0.00 0.00 -0.91 -0.16 0.00 0.00 177.13 176.06 1rjx h ASN 707 N 1.55 0.21 -0.91 -1.84 4.21 -1.93 -0.58 115.58 116.30 1rjx h ASN 707 Ca -0.45 0.11 0.15 0.00 1.21 0.00 0.00 56.30 57.33 1rjx h ASN 707 Cb 1.33 0.11 -0.07 0.00 -1.12 0.00 0.00 38.32 38.57 1rjx h ASN 707 CO 0.57 0.07 0.58 0.50 -1.29 0.00 0.00 177.43 177.87 1rjx h LYS 708 N 0.40 0.66 0.08 0.81 3.64 -1.97 0.26 116.57 120.45 1rjx h LYS 708 Ca 0.40 -0.04 -0.14 0.00 -1.27 0.00 0.00 60.65 59.60 1rjx h LYS 708 Cb 0.62 -0.15 0.01 0.00 -0.41 0.00 0.00 32.23 32.30 1rjx h LYS 708 CO -0.42 0.44 -0.66 0.28 -2.27 0.00 0.00 179.45 176.82 1rjx h VAL 709 N 0.68 1.50 -0.28 2.00 2.07 -1.63 -3.29 116.25 117.31 1rjx h VAL 709 Ca 0.46 -2.44 0.08 0.00 0.82 0.00 0.00 66.70 65.63 1rjx h VAL 709 Cb 0.78 3.14 -0.01 0.00 -1.52 0.00 0.00 31.29 33.68 1rjx h VAL 709 CO -0.22 0.66 0.20 0.00 0.02 0.00 0.00 177.57 178.23 1rjx n ASN 711 N -4.46 0.48 -4.58 0.00 3.02 0.87 -1.45 115.26 109.14 1rjx n ASN 711 Ca 0.04 -0.85 -0.38 0.00 -0.03 0.00 0.00 54.58 53.35 1rjx n ASN 711 Cb 0.36 -0.05 0.05 0.00 -0.61 0.00 0.00 39.78 39.52 1rjx n ASN 711 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1rjx n ARG 712 N -0.78 0.85 -0.29 3.52 1.74 -0.49 -1.31 116.66 119.91 1rjx n ARG 712 Ca 0.18 0.33 0.07 0.00 -0.77 0.00 0.00 57.85 57.67 1rjx n ARG 712 Cb 0.24 -2.06 0.18 0.00 -1.02 0.00 0.00 32.46 29.80 1rjx n ARG 712 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 1rjx h TYR 713 N 0.53 -0.14 0.00 -1.55 3.20 -1.91 0.12 116.97 117.22 1rjx h TYR 713 Ca -0.47 0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.46 1rjx h TYR 713 Cb 1.37 0.20 0.00 0.00 1.54 0.00 0.00 36.73 39.84 1rjx h TYR 713 CO 0.36 -0.32 0.00 0.39 -1.64 0.00 0.00 178.16 176.95 1rjx n GLU 714 N -5.43 0.20 0.00 1.82 4.71 -1.26 -4.32 120.64 116.36 1rjx n GLU 714 Ca 0.16 0.02 0.00 0.00 -0.01 0.00 0.00 57.16 57.33 1rjx n GLU 714 Cb 0.54 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.47 1rjx n GLU 714 CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 177.13 178.41 1rjx n PHE 715 N -1.39 0.00 1.16 -0.32 3.72 0.21 -4.96 117.46 115.88 1rjx n PHE 715 Ca 0.10 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.63 1rjx n PHE 715 Cb 0.27 0.00 0.45 0.00 -0.94 0.00 0.00 39.48 39.26 1rjx n PHE 715 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1rjx n LEU 716 N 0.00 0.49 -3.51 4.37 4.32 -0.53 -4.95 117.00 117.19 1rjx n LEU 716 Ca 0.00 0.05 -0.18 0.00 -0.02 0.00 0.00 56.01 55.86 1rjx n LEU 716 Cb 0.00 -0.26 0.07 0.00 -1.62 0.00 0.00 43.42 41.61 1rjx n LEU 716 CO 0.00 0.10 0.05 -3.20 -1.22 0.00 0.00 177.39 173.12 1rjx n ASN 717 N -1.20 -2.12 0.00 -1.43 4.05 0.01 -2.36 115.26 112.21 1rjx n ASN 717 Ca 0.10 -0.69 0.00 0.00 0.45 0.00 0.00 54.58 54.43 1rjx n ASN 717 Cb 0.32 -4.78 0.00 0.00 1.23 0.00 0.00 39.78 36.55 1rjx n ASN 717 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1rjx n GLY 718 N -1.28 1.13 0.55 8.20 0.00 -0.43 -4.92 105.19 108.44 1rjx n GLY 718 Ca -0.28 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.85 1rjx n GLY 718 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rjx n ARG 719 N -2.00 1.73 -3.68 1.61 5.12 -1.00 -4.75 116.66 113.69 1rjx n ARG 719 Ca 0.00 -1.09 -0.38 0.00 -1.93 0.00 0.00 57.85 54.45 1rjx n ARG 719 Cb 0.00 -1.40 -0.12 0.00 -1.16 0.00 0.00 32.46 29.79 1rjx n ARG 719 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1rjx s VAL 720 N -1.79 4.59 0.65 1.55 1.01 -1.26 -5.07 120.40 120.07 1rjx s VAL 720 Ca 0.32 -0.26 -0.11 0.00 0.00 0.00 0.00 61.98 61.93 1rjx s VAL 720 Cb 0.17 -3.26 -0.02 0.00 0.00 0.00 0.00 36.38 33.27 1rjx s VAL 720 CO 0.26 0.18 1.04 -1.10 0.00 0.00 0.00 175.10 175.49 1rjx s GLN 721 N 1.63 3.35 0.43 2.72 -0.21 -1.26 -4.93 119.66 121.40 1rjx s GLN 721 Ca 0.05 0.84 0.30 0.00 0.02 0.00 0.00 55.36 56.57 1rjx s GLN 721 Cb -0.16 -2.05 1.45 0.00 1.00 0.00 0.00 33.01 33.25 1rjx s GLN 721 CO 0.06 -0.77 1.91 0.66 -2.12 0.00 0.00 175.29 175.03 1rjx h SER 722 N -0.43 0.00 -0.40 5.90 4.64 -1.98 0.00 113.55 121.28 1rjx h SER 722 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1rjx h SER 722 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1rjx h SER 722 CO 0.60 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.91 1rjx n THR 723 N -2.62 0.93 -4.43 2.95 -2.24 -1.26 -4.84 114.28 102.76 1rjx n THR 723 Ca -0.00 -0.66 -0.21 0.00 -2.27 0.00 0.00 64.05 60.91 1rjx n THR 723 Cb 0.16 0.06 -0.10 0.00 -2.10 0.00 0.00 70.33 68.34 1rjx n THR 723 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1rjx s GLU 724 N -1.63 1.59 0.08 -0.78 2.02 -0.01 -0.19 118.70 119.77 1rjx s GLU 724 Ca 0.30 -1.85 -0.03 0.00 0.02 0.00 0.00 54.97 53.41 1rjx s GLU 724 Cb 0.18 -0.97 -0.03 0.00 0.10 0.00 0.00 34.13 33.41 1rjx s GLU 724 CO 0.16 -0.09 0.05 -0.48 0.02 0.00 0.00 175.26 174.92 1rjx s LEU 725 N -3.46 2.06 0.15 1.80 0.05 -0.17 -4.66 118.68 114.45 1rjx s LEU 725 Ca 0.33 -0.98 0.09 0.00 0.05 0.00 0.00 54.13 53.62 1rjx s LEU 725 Cb 0.07 0.43 -0.04 0.00 -2.05 0.00 0.00 46.19 44.59 1rjx s LEU 725 CO 0.13 -0.67 -0.14 0.00 -0.55 0.00 0.00 176.35 175.12 1rjx s ALA 727 N -1.42 -1.36 0.00 0.00 0.00 -0.74 -0.94 121.76 117.31 1rjx s ALA 727 Ca 0.21 1.22 0.00 0.00 0.00 0.00 0.00 51.96 53.39 1rjx s ALA 727 Cb -0.10 -0.42 0.00 0.00 0.00 0.00 0.00 23.12 22.60 1rjx s ALA 727 CO 0.12 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 176.00 1rjx n GLY 728 N 1.89 0.23 3.20 0.00 0.00 0.25 -0.33 105.19 110.42 1rjx n GLY 728 Ca -0.17 -1.78 -0.21 0.00 0.00 0.00 0.00 46.02 43.86 1rjx n GLY 728 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1rjx s HIS 729 N -1.08 1.40 -0.06 1.61 3.76 -1.26 -4.34 115.29 115.31 1rjx s HIS 729 Ca 0.00 -0.42 -0.09 0.00 -0.15 0.00 0.00 55.06 54.40 1rjx s HIS 729 Cb 0.00 -0.79 -0.05 0.00 1.11 0.00 0.00 32.58 32.85 1rjx s HIS 729 CO 0.00 0.09 0.36 -0.07 -0.85 0.00 0.00 174.74 174.27 1rjx h LEU 730 N 4.42 -0.26 -9.10 0.89 3.38 -1.93 -3.22 115.31 109.50 1rjx h LEU 730 Ca -0.42 -0.00 -0.66 0.00 0.09 0.00 0.00 57.88 56.89 1rjx h LEU 730 Cb 1.18 0.07 -0.18 0.00 0.09 0.00 0.00 40.66 41.82 1rjx h LEU 730 CO 0.41 0.21 -0.80 0.00 0.09 0.00 0.00 178.44 178.35 1rjx s ALA 731 N -3.32 2.64 0.28 1.53 0.00 -1.26 -3.76 121.76 117.87 1rjx s ALA 731 Ca -0.05 -1.52 0.00 0.00 0.00 0.00 0.00 51.96 50.40 1rjx s ALA 731 Cb 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 23.12 22.63 1rjx s ALA 731 CO 0.14 0.49 0.00 0.41 0.00 0.00 0.00 175.76 176.80 1rjx n GLY 732 N 0.42 -1.53 0.00 0.00 0.00 -0.65 -4.92 105.19 98.51 1rjx n GLY 732 Ca -0.14 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 44.98 1rjx n GLY 732 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rjx n GLY 733 N -3.51 2.80 3.85 -0.02 0.00 -1.25 -4.52 105.19 102.53 1rjx n GLY 733 Ca 0.01 -1.90 -0.32 0.00 0.00 0.00 0.00 46.02 43.81 1rjx n GLY 733 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1rjx s THR 734 N -2.77 4.60 -0.19 2.61 -1.32 -1.26 -4.20 115.64 113.12 1rjx s THR 734 Ca 0.00 1.05 -0.29 0.00 -1.21 0.00 0.00 61.69 61.24 1rjx s THR 734 Cb 0.00 -3.69 -0.02 0.00 -1.51 0.00 0.00 72.50 67.28 1rjx s THR 734 CO 0.00 -0.50 1.41 1.51 -2.21 0.00 0.00 174.62 174.83 1rjx s ASP 735 N -2.83 6.72 -0.70 8.08 1.47 -1.26 -4.36 116.67 123.80 1rjx s ASP 735 Ca 0.56 1.67 0.02 0.00 1.18 0.00 0.00 52.55 55.98 1rjx s ASP 735 Cb -0.10 -2.54 0.17 0.00 -0.34 0.00 0.00 42.92 40.12 1rjx s ASP 735 CO 0.26 -0.96 0.50 -0.44 0.68 0.00 0.00 175.17 175.21 1rjx s SER 736 N 2.85 5.05 -0.25 2.11 0.01 0.20 -3.92 113.70 119.76 1rjx s SER 736 Ca 0.62 -3.49 0.09 0.00 1.31 0.00 0.00 55.95 54.48 1rjx s SER 736 Cb -0.23 -1.74 0.44 0.00 0.21 0.00 0.00 66.02 64.70 1rjx s SER 736 CO 0.22 -0.18 1.21 0.00 0.41 0.00 0.00 173.24 174.89 1rjx n GLN 738 N -0.92 0.20 -2.07 0.00 3.00 -1.26 -4.63 117.38 111.70 1rjx n GLN 738 Ca 0.31 0.16 -0.27 0.00 -0.01 0.00 0.00 57.00 57.18 1rjx n GLN 738 Cb 0.82 -1.73 0.08 0.00 0.00 0.00 0.00 30.24 29.42 1rjx n GLN 738 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1rjx s GLY 739 N -3.44 1.65 0.18 1.08 0.00 -1.26 -2.01 107.32 103.53 1rjx s GLY 739 Ca 0.11 -0.84 0.06 0.00 0.00 0.00 0.00 44.72 44.05 1rjx s GLY 739 CO 0.58 -0.38 0.12 0.99 0.00 0.00 0.00 173.10 174.41 1rjx s ASP 740 N -4.57 5.37 0.15 1.64 1.01 -1.26 -3.41 116.67 115.60 1rjx s ASP 740 Ca 0.62 -0.21 -0.34 0.00 0.71 0.00 0.00 52.55 53.33 1rjx s ASP 740 Cb -0.10 -1.35 -0.15 0.00 1.01 0.00 0.00 42.92 42.33 1rjx s ASP 740 CO 0.47 0.05 1.49 -0.24 0.21 0.00 0.00 175.17 177.15 1rjx n SER 741 N -0.45 2.64 0.00 0.27 2.88 -1.25 -0.55 113.62 117.16 1rjx n SER 741 Ca -0.08 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.56 1rjx n SER 741 Cb 0.55 -1.36 0.00 0.00 -0.75 0.00 0.00 64.21 62.65 1rjx n SER 741 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1rjx n GLY 742 N 3.04 1.89 3.72 0.46 0.00 0.53 -1.02 105.19 113.81 1rjx n GLY 742 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1rjx n GLY 742 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rjx s GLY 743 N -2.04 1.58 0.41 -0.02 0.00 0.28 -2.95 107.32 104.58 1rjx s GLY 743 Ca 0.00 -0.39 -0.22 0.00 0.00 0.00 0.00 44.72 44.11 1rjx s GLY 743 CO 0.00 0.19 0.97 2.56 0.00 0.00 0.00 173.10 176.82 1rjx s PRO 744 N -5.08 4.26 -0.27 2.90 0.04 -1.26 -1.17 135.00 134.42 1rjx s PRO 744 Ca 0.64 1.24 -0.01 0.00 0.04 0.00 0.00 61.00 62.92 1rjx s PRO 744 Cb -0.17 -2.36 0.08 0.00 0.04 0.00 0.00 34.50 32.09 1rjx s PRO 744 CO 0.56 -0.01 0.05 -1.17 0.04 0.00 0.00 177.00 176.46 1rjx s LEU 745 N -2.88 2.23 0.15 -3.56 1.98 -0.61 -3.42 118.68 112.57 1rjx s LEU 745 Ca 0.59 -1.38 0.06 0.00 -2.89 0.00 0.00 54.13 50.51 1rjx s LEU 745 Cb -0.14 -0.92 -0.04 0.00 0.66 0.00 0.00 46.19 45.76 1rjx s LEU 745 CO 0.18 -0.35 0.03 0.68 -1.89 0.00 0.00 176.35 175.00 1rjx s VAL 746 N 1.58 3.93 -0.04 1.68 -7.23 -0.75 -0.96 120.40 118.61 1rjx s VAL 746 Ca 0.04 -1.27 0.01 0.00 -1.81 0.00 0.00 61.98 58.96 1rjx s VAL 746 Cb -0.18 -2.96 0.02 0.00 0.56 0.00 0.00 36.38 33.82 1rjx s VAL 746 CO -0.16 -0.06 -0.05 0.00 -0.31 0.00 0.00 175.10 174.52 1rjx s PHE 748 N 0.79 3.09 -0.58 0.00 5.36 -1.26 -1.29 117.98 124.09 1rjx s PHE 748 Ca -0.11 1.09 0.02 0.00 -0.96 0.00 0.00 56.93 56.97 1rjx s PHE 748 Cb -0.14 -3.50 0.15 0.00 -0.34 0.00 0.00 43.02 39.19 1rjx s PHE 748 CO 0.00 -1.69 0.36 -1.21 -1.46 0.00 0.00 175.22 171.22 1rjx s GLU 749 N 2.23 2.24 0.00 10.12 2.02 0.14 -4.89 118.70 130.57 1rjx s GLU 749 Ca 0.59 -2.71 0.00 0.00 0.02 0.00 0.00 54.97 52.86 1rjx s GLU 749 Cb -0.27 -3.47 0.00 0.00 0.10 0.00 0.00 34.13 30.49 1rjx s GLU 749 CO 0.24 -1.15 0.00 1.17 0.02 0.00 0.00 175.26 175.53 1rjx n LYS 750 N 3.04 0.00 0.00 1.61 4.81 -1.26 -3.21 118.16 123.15 1rjx n LYS 750 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.52 1rjx n LYS 750 Cb 0.34 -2.68 0.00 0.00 0.02 0.00 0.00 35.03 32.71 1rjx n LYS 750 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1rjx n ASP 751 N 0.00 0.00 -3.47 3.14 5.75 -1.26 -5.15 116.55 115.56 1rjx n ASP 751 Ca 0.00 -0.65 -0.10 0.00 -0.01 0.00 0.00 54.79 54.03 1rjx n ASP 751 Cb 0.00 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.07 1rjx n ASP 751 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 1rjx s LYS 752 N 0.00 1.07 -0.15 0.11 -2.85 -1.20 -4.89 119.74 111.83 1rjx s LYS 752 Ca 0.00 -0.40 -0.14 0.00 -1.00 0.00 0.00 55.97 54.43 1rjx s LYS 752 Cb 0.00 0.49 -0.05 0.00 -2.06 0.00 0.00 37.83 36.21 1rjx s LYS 752 CO 0.00 -0.47 0.32 0.71 0.10 0.00 0.00 175.35 176.01 1rjx s TYR 753 N -3.45 3.48 -0.14 1.78 2.02 -0.65 0.26 117.35 120.65 1rjx s TYR 753 Ca 0.03 0.64 -0.01 0.00 -0.37 0.00 0.00 57.07 57.36 1rjx s TYR 753 Cb -0.01 -2.36 -0.02 0.00 -0.40 0.00 0.00 41.96 39.18 1rjx s TYR 753 CO -0.11 0.25 -0.11 0.42 -1.57 0.00 0.00 175.55 174.43 1rjx s ILE 754 N 0.41 3.19 -0.33 2.71 1.01 -0.41 -3.23 121.20 124.55 1rjx s ILE 754 Ca 0.18 -0.61 -0.29 0.00 0.00 0.00 0.00 60.65 59.93 1rjx s ILE 754 Cb -0.13 -2.36 -0.01 0.00 0.01 0.00 0.00 42.46 39.97 1rjx s ILE 754 CO 0.05 0.52 1.57 -0.22 0.00 0.00 0.00 174.94 176.85 1rjx s LEU 755 N 0.39 3.65 -0.05 2.97 2.96 -0.24 -0.95 118.68 127.41 1rjx s LEU 755 Ca -0.09 1.19 0.15 0.00 -0.22 0.00 0.00 54.13 55.16 1rjx s LEU 755 Cb -0.16 -3.53 -0.23 0.00 0.50 0.00 0.00 46.19 42.77 1rjx s LEU 755 CO 0.05 -1.45 0.28 0.00 -1.32 0.00 0.00 176.35 173.92 1rjx n GLN 756 N 8.02 0.71 -4.01 1.98 1.13 -0.14 -4.21 117.38 120.87 1rjx n GLN 756 Ca 0.19 -0.11 -0.08 0.00 -1.94 0.00 0.00 57.00 55.05 1rjx n GLN 756 Cb 0.47 -1.37 -0.11 0.00 0.11 0.00 0.00 30.24 29.34 1rjx n GLN 756 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1rjx s GLY 757 N -4.00 0.30 -0.13 1.08 0.00 -0.57 -1.70 107.32 102.30 1rjx s GLY 757 Ca -0.06 -0.75 0.03 0.00 0.00 0.00 0.00 44.72 43.93 1rjx s GLY 757 CO 0.64 -0.84 -0.21 0.14 0.00 0.00 0.00 173.10 172.83 1rjx s VAL 758 N -2.20 1.95 0.42 1.40 1.01 -0.96 -1.58 120.40 120.45 1rjx s VAL 758 Ca -0.09 -0.92 -0.24 0.00 0.00 0.00 0.00 61.98 60.73 1rjx s VAL 758 Cb -0.05 -1.73 -0.08 0.00 0.00 0.00 0.00 36.38 34.52 1rjx s VAL 758 CO -0.04 0.53 1.14 -0.89 0.00 0.00 0.00 175.10 175.84 1rjx s THR 759 N 0.78 3.29 -0.03 3.92 2.01 -0.31 -0.48 115.64 124.81 1rjx s THR 759 Ca -0.09 1.02 -0.00 0.00 0.31 0.00 0.00 61.69 62.93 1rjx s THR 759 Cb -0.16 -3.54 0.03 0.00 0.01 0.00 0.00 72.50 68.84 1rjx s THR 759 CO -0.00 0.03 0.02 -0.94 -0.69 0.00 0.00 174.62 173.04 1rjx s SER 760 N -1.33 0.52 0.13 3.53 1.04 -1.26 -0.35 113.70 115.99 1rjx s SER 760 Ca 0.59 0.00 -0.32 0.00 0.48 0.00 0.00 55.95 56.70 1rjx s SER 760 Cb -0.28 -0.19 -0.10 0.00 0.10 0.00 0.00 66.02 65.56 1rjx s SER 760 CO 0.34 -0.14 1.56 -0.25 0.98 0.00 0.00 173.24 175.73 1rjx h TRP 761 N 7.52 -1.55 0.00 5.02 7.01 -1.93 -1.66 115.95 130.35 1rjx h TRP 761 Ca -0.37 0.07 0.00 0.00 2.11 0.00 0.00 58.89 60.69 1rjx h TRP 761 Cb 1.13 0.71 0.00 0.00 -2.10 0.00 0.00 29.16 28.90 1rjx h TRP 761 CO 0.50 -0.51 0.00 0.41 -2.79 0.00 0.00 178.44 176.05 1rjx n GLY 762 N -1.42 -1.05 0.00 2.65 0.00 -1.26 -4.00 105.19 100.12 1rjx n GLY 762 Ca -0.04 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1rjx n GLY 762 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1rjx n LEU 763 N -2.05 0.00 -3.93 0.99 4.77 -0.68 -5.13 117.00 110.98 1rjx n LEU 763 Ca 0.01 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1rjx n LEU 763 Cb 0.15 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.25 1rjx n LEU 763 CO 0.14 0.00 0.95 -0.83 -1.33 0.00 0.00 177.39 176.32 1rjx s GLY 764 N 0.00 -0.01 0.34 -0.72 0.00 -0.86 -4.94 107.32 101.14 1rjx s GLY 764 Ca 0.00 -0.15 0.08 0.00 0.00 0.00 0.00 44.72 44.65 1rjx s GLY 764 CO 0.00 3.87 0.20 0.00 0.00 0.00 0.00 173.10 177.17 1rjx s ALA 766 N -2.37 3.06 0.20 0.00 0.00 -1.01 -3.89 121.76 117.73 1rjx s ALA 766 Ca 0.39 0.07 0.07 0.00 0.00 0.00 0.00 51.96 52.49 1rjx s ALA 766 Cb -0.04 -3.93 -0.04 0.00 0.00 0.00 0.00 23.12 19.11 1rjx s ALA 766 CO 0.24 -2.34 0.05 1.03 0.00 0.00 0.00 175.76 174.74 1rjx s ARG 767 N 5.03 2.54 0.31 0.00 1.81 0.25 0.61 118.95 129.50 1rjx s ARG 767 Ca 0.67 -1.11 0.06 0.00 -1.72 0.00 0.00 55.73 53.64 1rjx s ARG 767 Cb -0.18 -2.40 0.87 0.00 -0.45 0.00 0.00 34.95 32.79 1rjx s ARG 767 CO 0.32 0.44 1.50 -2.30 -0.68 0.00 0.00 175.30 174.57 1rjx n PRO 768 N -0.40 -0.07 -0.32 3.54 -0.02 -1.26 -1.17 135.00 135.30 1rjx n PRO 768 Ca -0.09 1.40 0.08 0.00 -2.02 0.00 0.00 63.50 62.87 1rjx n PRO 768 Cb 0.56 -2.30 0.19 0.00 -0.02 0.00 0.00 33.50 31.94 1rjx n PRO 768 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1rjx n ASN 769 N -5.35 2.81 -3.64 2.55 5.15 -1.26 -1.64 115.26 113.88 1rjx n ASN 769 Ca 0.26 -3.22 -0.05 0.00 -0.60 0.00 0.00 54.58 50.97 1rjx n ASN 769 Cb 0.86 -0.50 -0.06 0.00 -0.53 0.00 0.00 39.78 39.55 1rjx n ASN 769 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1rjx s LYS 770 N -2.94 0.65 0.85 1.20 2.20 -0.32 -4.81 119.74 116.57 1rjx s LYS 770 Ca 0.37 1.22 -0.12 0.00 -0.36 0.00 0.00 55.97 57.08 1rjx s LYS 770 Cb 0.32 0.27 0.10 0.00 -1.51 0.00 0.00 37.83 37.01 1rjx s LYS 770 CO 0.04 -0.15 1.12 -1.25 -0.36 0.00 0.00 175.35 174.75 1rjx s PRO 771 N 1.86 1.69 0.42 4.03 0.04 -1.21 0.86 135.00 142.69 1rjx s PRO 771 Ca -0.09 0.41 -0.13 0.00 0.04 0.00 0.00 61.00 61.23 1rjx s PRO 771 Cb -0.06 -1.89 -0.07 0.00 0.04 0.00 0.00 34.50 32.51 1rjx s PRO 771 CO -0.19 -1.85 0.83 0.20 0.04 0.00 0.00 177.00 176.03 1rjx s GLY 772 N -4.06 2.03 -0.11 0.56 0.00 0.55 -4.60 107.32 101.68 1rjx s GLY 772 Ca 0.62 -0.06 0.02 0.00 0.00 0.00 0.00 44.72 45.30 1rjx s GLY 772 CO 0.53 0.16 -0.17 0.14 0.00 0.00 0.00 173.10 173.75 1rjx s VAL 773 N -2.39 2.68 0.08 1.40 1.01 -1.25 -1.79 120.40 120.13 1rjx s VAL 773 Ca 0.54 -0.80 0.07 0.00 0.00 0.00 0.00 61.98 61.79 1rjx s VAL 773 Cb -0.10 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.16 1rjx s VAL 773 CO 0.29 0.54 -0.19 -0.31 0.00 0.00 0.00 175.10 175.43 1rjx s TYR 774 N 0.29 1.68 0.25 5.22 1.51 0.46 -4.27 117.35 122.50 1rjx s TYR 774 Ca -0.13 -0.40 -0.30 0.00 -1.01 0.00 0.00 57.07 55.23 1rjx s TYR 774 Cb -0.16 -0.95 -0.10 0.00 -0.11 0.00 0.00 41.96 40.64 1rjx s TYR 774 CO 0.07 0.14 1.37 0.08 -1.11 0.00 0.00 175.55 176.10 1rjx s VAL 775 N -1.05 2.83 -0.72 0.71 1.01 0.36 -1.00 120.40 122.54 1rjx s VAL 775 Ca 0.05 0.72 -0.24 0.00 0.00 0.00 0.00 61.98 62.52 1rjx s VAL 775 Cb -0.09 -3.46 0.06 0.00 0.00 0.00 0.00 36.38 32.89 1rjx s VAL 775 CO 0.03 0.12 1.10 -0.60 0.00 0.00 0.00 175.10 175.75 1rjx s ARG 776 N -0.58 3.19 0.27 2.72 3.52 0.73 -2.27 118.95 126.53 1rjx s ARG 776 Ca 0.56 -0.74 -0.00 0.00 -0.13 0.00 0.00 55.73 55.42 1rjx s ARG 776 Cb -0.40 -4.33 0.50 0.00 -1.56 0.00 0.00 34.95 29.16 1rjx s ARG 776 CO 0.44 -1.93 1.84 0.28 -0.81 0.00 0.00 175.30 175.12 1rjx h VAL 777 N 6.03 0.96 -0.40 7.11 2.07 -1.63 -1.26 116.25 129.13 1rjx h VAL 777 Ca -0.23 -0.35 0.12 0.00 0.82 0.00 0.00 66.70 67.06 1rjx h VAL 777 Cb 1.06 -0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 1rjx h VAL 777 CO 1.22 0.19 0.46 0.77 0.02 0.00 0.00 177.57 180.22 1rjx h SER 778 N 1.02 0.00 0.17 0.57 4.64 -1.85 0.15 113.55 118.26 1rjx h SER 778 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 1rjx h SER 778 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1rjx h SER 778 CO -0.24 0.00 -0.03 0.54 -0.87 0.00 0.00 176.83 176.23 1rjx n ARG 779 N -3.65 0.95 -0.05 4.77 5.12 -0.47 -0.87 116.66 122.45 1rjx n ARG 779 Ca 0.07 -0.23 0.02 0.00 -1.93 0.00 0.00 57.85 55.78 1rjx n ARG 779 Cb 0.63 -1.50 0.03 0.00 -1.16 0.00 0.00 32.46 30.46 1rjx n ARG 779 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 1rjx n PHE 780 N -0.83 0.00 -0.05 -1.55 3.72 0.52 -4.82 117.46 114.46 1rjx n PHE 780 Ca 0.19 -0.44 -0.11 0.00 -0.05 0.00 0.00 57.45 57.04 1rjx n PHE 780 Cb 0.21 -0.06 -0.05 0.00 -0.94 0.00 0.00 39.48 38.65 1rjx n PHE 780 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1rjx h VAL 781 N 1.25 1.21 -0.56 -4.37 2.07 -1.57 0.08 116.25 114.35 1rjx h VAL 781 Ca 0.00 -0.68 -0.05 0.00 0.82 0.00 0.00 66.70 66.79 1rjx h VAL 781 Cb 0.78 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.85 1rjx h VAL 781 CO 0.00 0.21 0.14 0.71 0.02 0.00 0.00 177.57 178.64 1rjx h THR 782 N 0.08 1.23 -0.24 2.57 1.35 -1.87 0.71 112.91 116.74 1rjx h THR 782 Ca 0.05 -0.83 -0.02 0.00 -0.55 0.00 0.00 66.41 65.07 1rjx h THR 782 Cb 0.28 0.65 -0.01 0.00 -1.73 0.00 0.00 68.15 67.35 1rjx h THR 782 CO 0.00 0.31 0.08 -0.25 -0.25 0.00 0.00 175.52 175.41 1rjx h TRP 783 N 0.83 0.38 -0.26 4.73 7.01 -1.87 -0.51 115.95 126.26 1rjx h TRP 783 Ca 0.18 -0.04 0.02 0.00 2.11 0.00 0.00 58.89 61.16 1rjx h TRP 783 Cb 0.30 -0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 27.23 1rjx h TRP 783 CO 0.02 0.42 0.12 0.82 -2.79 0.00 0.00 178.44 177.03 1rjx h ILE 784 N 0.22 0.98 -0.84 2.65 2.04 -0.29 0.41 117.51 122.69 1rjx h ILE 784 Ca 0.08 -0.09 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 1rjx h ILE 784 Cb 0.22 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 1rjx h ILE 784 CO -0.00 0.05 0.41 -0.33 0.00 0.00 0.00 178.15 178.28 1rjx h GLU 785 N 0.26 1.20 -0.71 2.37 5.08 -0.82 -1.43 114.58 120.52 1rjx h GLU 785 Ca 0.11 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1rjx h GLU 785 Cb 0.04 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.04 1rjx h GLU 785 CO -0.08 0.91 0.44 0.78 -1.00 0.00 0.00 179.01 180.07 1rjx h GLY 786 N 1.19 1.03 1.01 -3.84 0.00 -0.49 0.21 103.07 102.18 1rjx h GLY 786 Ca 0.29 -0.41 -0.06 0.00 0.00 0.00 0.00 47.33 47.14 1rjx h GLY 786 CO -0.04 0.40 0.11 -2.08 0.00 0.00 0.00 176.54 174.94 1rjx h VAL 787 N 0.97 1.25 -0.01 4.60 2.07 -0.53 -1.92 116.25 122.68 1rjx h VAL 787 Ca 0.26 -0.94 -0.00 0.00 0.82 0.00 0.00 66.70 66.84 1rjx h VAL 787 Cb -0.06 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1rjx h VAL 787 CO -0.05 0.35 -0.00 0.24 0.02 0.00 0.00 177.57 178.12 1rjx h MET 788 N 0.84 0.01 -0.15 1.57 2.07 -0.56 -1.71 114.93 117.01 1rjx h MET 788 Ca 0.18 -0.01 -0.16 0.00 -2.07 0.00 0.00 59.70 57.64 1rjx h MET 788 Cb 0.39 -0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.11 1rjx h MET 788 CO 0.01 0.40 -0.57 0.07 1.07 0.00 0.00 176.91 177.89 1rjx h ARG 789 N -0.38 0.46 -0.27 1.72 0.11 -0.65 -3.00 114.38 112.37 1rjx h ARG 789 Ca 0.00 -0.30 0.00 0.00 0.10 0.00 0.00 59.98 59.79 1rjx h ARG 789 Cb 0.40 0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.52 1rjx h ARG 789 CO 0.00 0.90 0.00 0.09 0.10 0.00 0.00 179.97 181.06 1rjx n ASN 790 N -3.93 2.06 0.00 0.08 3.02 -0.72 -5.10 115.26 110.67 1rjx n ASN 790 Ca -0.03 -1.83 0.00 0.00 -0.03 0.00 0.00 54.58 52.69 1rjx n ASN 790 Cb 0.61 -0.17 0.00 0.00 -0.61 0.00 0.00 39.78 39.61 1rjx n ASN 790 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23