#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2far h ALA 544 N 0.00 1.78 0.00 7.54 0.00 -1.95 0.23 119.26 126.86 2far h ALA 544 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2far h ALA 544 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2far h ALA 544 CO 0.00 0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.42 2far n ALA 545 N -2.51 1.93 -1.87 0.00 0.00 -1.26 -3.33 120.51 113.46 2far n ALA 545 Ca -0.01 0.01 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 2far n ALA 545 Cb 0.16 -1.40 0.12 0.00 0.00 0.00 0.00 19.45 18.32 2far n ALA 545 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2far n THR 546 N -2.08 2.18 -2.61 0.00 -2.24 -0.49 -4.40 114.28 104.65 2far n THR 546 Ca 0.04 -3.51 -0.18 0.00 -2.27 0.00 0.00 64.05 58.13 2far n THR 546 Cb 0.30 -0.47 -0.00 0.00 -2.10 0.00 0.00 70.33 68.06 2far n THR 546 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2far n ALA 547 N -0.84 -0.79 -0.96 6.98 0.00 -1.16 -0.97 120.51 122.76 2far n ALA 547 Ca 0.28 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.87 2far n ALA 547 Cb 0.83 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 18.06 2far n ALA 547 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2far n GLY 548 N -1.02 0.69 3.72 0.00 0.00 0.69 -4.66 105.19 104.61 2far n GLY 548 Ca -0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 2far n GLY 548 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2far s VAL 549 N -2.91 5.10 -0.12 1.61 1.01 -0.15 -4.95 120.40 119.99 2far s VAL 549 Ca 0.00 1.24 -0.30 0.00 0.00 0.00 0.00 61.98 62.92 2far s VAL 549 Cb 0.00 -3.94 -0.02 0.00 0.00 0.00 0.00 36.38 32.42 2far s VAL 549 CO 0.00 0.29 1.12 -0.60 0.00 0.00 0.00 175.10 175.91 2far s ARG 550 N 0.68 4.34 -0.37 2.72 3.52 -1.26 -4.76 118.95 123.82 2far s ARG 550 Ca 0.33 1.53 -0.14 0.00 -0.13 0.00 0.00 55.73 57.32 2far s ARG 550 Cb -0.17 -3.60 -0.00 0.00 -1.56 0.00 0.00 34.95 29.62 2far s ARG 550 CO 0.15 -0.48 0.29 0.42 -0.81 0.00 0.00 175.30 174.87 2far s ILE 551 N 2.52 5.25 0.49 4.11 -1.09 -1.26 -4.98 121.20 126.23 2far s ILE 551 Ca 0.51 -0.35 -0.18 0.00 -2.23 0.00 0.00 60.65 58.40 2far s ILE 551 Cb -0.21 -3.82 -0.09 0.00 -1.58 0.00 0.00 42.46 36.76 2far s ILE 551 CO 0.17 -0.15 0.98 -0.94 -1.23 0.00 0.00 174.94 173.77 2far s SER 552 N 1.71 6.67 -1.39 3.58 1.04 -1.26 -3.91 113.70 120.14 2far s SER 552 Ca 0.07 1.65 -0.14 0.00 0.48 0.00 0.00 55.95 58.01 2far s SER 552 Cb -0.18 -2.52 0.02 0.00 0.10 0.00 0.00 66.02 63.43 2far s SER 552 CO 0.11 -0.55 0.33 1.41 0.98 0.00 0.00 173.24 175.52 2far n HIS 553 N -1.23 -1.37 0.13 5.02 8.25 -1.26 -4.82 115.22 119.95 2far n HIS 553 Ca 0.07 0.41 0.12 0.00 -0.26 0.00 0.00 57.72 58.06 2far n HIS 553 Cb 0.54 -2.92 0.63 0.00 1.12 0.00 0.00 29.99 29.36 2far n HIS 553 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2far h PRO 554 N -2.12 0.06 -0.00 -0.41 0.13 -1.97 -2.58 132.00 125.10 2far h PRO 554 Ca -0.68 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.45 2far h PRO 554 Cb 1.40 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.51 2far h PRO 554 CO 0.62 0.04 -0.16 1.04 -0.23 0.00 0.00 178.00 179.31 2far n GLN 555 N -4.48 0.58 -2.01 0.86 1.13 -1.26 -1.43 117.38 110.77 2far n GLN 555 Ca 0.02 -0.23 -0.39 0.00 -1.94 0.00 0.00 57.00 54.46 2far n GLN 555 Cb 0.27 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.13 2far n GLN 555 CO 0.00 0.00 0.00 -0.98 -1.44 0.00 0.00 177.06 174.64 2far s ARG 556 N -2.57 3.84 -0.08 -1.09 1.70 -0.98 -4.73 118.95 115.05 2far s ARG 556 Ca 0.25 2.17 -0.25 0.00 -0.47 0.00 0.00 55.73 57.43 2far s ARG 556 Cb 0.20 -2.68 -0.03 0.00 -0.57 0.00 0.00 34.95 31.87 2far s ARG 556 CO 0.51 -0.60 0.79 -0.51 -1.08 0.00 0.00 175.30 174.40 2far s LEU 557 N -2.61 4.30 -0.01 -1.89 1.43 -1.26 -0.95 118.68 117.69 2far s LEU 557 Ca 0.59 1.28 -0.14 0.00 -1.03 0.00 0.00 54.13 54.83 2far s LEU 557 Cb -0.38 -3.22 -0.34 0.00 0.03 0.00 0.00 46.19 42.28 2far s LEU 557 CO 0.49 -0.21 0.84 0.40 0.23 0.00 0.00 176.35 178.10 2far h ILE 558 N 4.87 1.12 -2.79 -0.59 1.08 -0.76 -3.40 117.51 117.04 2far h ILE 558 Ca -0.38 -2.61 -0.54 0.00 -0.39 0.00 0.00 64.86 60.94 2far h ILE 558 Cb 1.19 2.92 -0.40 0.00 -3.07 0.00 0.00 36.82 37.46 2far h ILE 558 CO 0.77 0.83 -0.79 -0.62 -0.69 0.00 0.00 178.15 177.66 2far s ASP 559 N -7.46 3.51 0.48 1.72 -1.08 -1.02 -1.20 116.67 111.63 2far s ASP 559 Ca -0.12 -1.40 0.13 0.00 -0.52 0.00 0.00 52.55 50.64 2far s ASP 559 Cb 0.05 -0.39 1.13 0.00 -1.46 0.00 0.00 42.92 42.25 2far s ASP 559 CO 0.91 -0.43 2.11 -0.65 0.52 0.00 0.00 175.17 177.63 2far h PRO 560 N 8.25 0.16 -0.04 4.34 0.11 -1.84 -1.73 132.00 141.25 2far h PRO 560 Ca -0.17 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.94 2far h PRO 560 Cb 1.01 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.08 2far h PRO 560 CO 0.42 0.12 0.04 0.66 -0.21 0.00 0.00 178.00 179.03 2far h SER 561 N 0.16 0.00 0.00 -2.05 4.64 -1.97 -2.50 113.55 111.84 2far h SER 561 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2far h SER 561 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2far h SER 561 CO -0.01 0.00 0.00 2.30 -0.87 0.00 0.00 176.83 178.25 2far n ILE 562 N -3.87 0.72 -3.69 0.95 -5.35 -1.06 -5.00 119.36 102.06 2far n ILE 562 Ca -0.02 -0.72 -0.23 0.00 -0.27 0.00 0.00 62.75 61.51 2far n ILE 562 Cb 0.13 0.64 0.05 0.00 -1.74 0.00 0.00 39.64 38.72 2far n ILE 562 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2far n GLN 563 N -0.36 -5.65 -3.41 6.28 1.13 -0.72 -4.96 117.38 109.69 2far n GLN 563 Ca 0.00 0.67 -0.40 0.00 -1.94 0.00 0.00 57.00 55.34 2far n GLN 563 Cb 0.32 -5.43 -0.09 0.00 0.11 0.00 0.00 30.24 25.14 2far n GLN 563 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2far s ALA 564 N -3.50 3.52 0.62 -1.58 0.00 -0.81 -5.01 121.76 115.00 2far s ALA 564 Ca 0.21 -1.07 -0.05 0.00 0.00 0.00 0.00 51.96 51.05 2far s ALA 564 Cb -0.10 -2.76 0.03 0.00 0.00 0.00 0.00 23.12 20.29 2far s ALA 564 CO 0.79 -0.90 0.92 -1.54 0.00 0.00 0.00 175.76 175.03 2far s SER 565 N 1.71 5.24 0.21 0.00 1.04 -1.26 -0.10 113.70 120.54 2far s SER 565 Ca 0.13 0.49 -0.08 0.00 0.48 0.00 0.00 55.95 56.97 2far s SER 565 Cb -0.16 -1.34 0.16 0.00 0.10 0.00 0.00 66.02 64.78 2far s SER 565 CO 0.11 -1.27 1.80 0.50 0.98 0.00 0.00 173.24 175.36 2far h LYS 566 N -0.29 1.18 -0.69 4.02 3.64 -0.90 -2.15 116.57 121.37 2far h LYS 566 Ca -0.45 -0.19 -0.01 0.00 -1.27 0.00 0.00 60.65 58.73 2far h LYS 566 Cb 1.29 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 32.87 2far h LYS 566 CO 0.59 0.92 0.37 1.25 -2.27 0.00 0.00 179.45 180.32 2far h LEU 567 N 1.15 0.86 -0.73 5.20 5.85 -1.52 0.30 115.31 126.42 2far h LEU 567 Ca 0.27 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 2far h LEU 567 Cb 0.15 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.93 2far h LEU 567 CO -0.03 0.71 0.43 -0.08 -0.34 0.00 0.00 178.44 179.13 2far h GLU 568 N 0.94 0.99 -0.77 1.25 4.81 -1.73 0.77 114.58 120.84 2far h GLU 568 Ca 0.24 -0.09 -0.05 0.00 -0.13 0.00 0.00 59.36 59.33 2far h GLU 568 Cb 0.04 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.18 2far h GLU 568 CO -0.04 0.71 0.30 1.25 -0.73 0.00 0.00 179.01 180.50 2far h LEU 569 N 1.00 1.06 -0.29 1.64 5.85 -0.89 -1.25 115.31 122.43 2far h LEU 569 Ca 0.26 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 2far h LEU 569 Cb -0.02 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.72 2far h LEU 569 CO -0.05 0.95 0.11 0.00 -0.34 0.00 0.00 178.44 179.10 2far h ALA 570 N 1.20 0.38 -0.22 1.25 0.00 -0.11 -2.51 119.26 119.25 2far h ALA 570 Ca 0.26 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 2far h ALA 570 Cb 0.22 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2far h ALA 570 CO -0.02 -0.00 -0.17 0.93 0.00 0.00 0.00 179.25 179.99 2far h GLU 571 N 0.32 0.38 -0.21 0.00 5.08 -0.62 -2.25 114.58 117.29 2far h GLU 571 Ca 0.10 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2far h GLU 571 Cb 0.21 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 2far h GLU 571 CO -0.01 0.55 0.13 0.35 -1.00 0.00 0.00 179.01 179.04 2far h PHE 572 N 0.35 0.26 -0.15 4.33 3.57 -1.04 0.50 116.94 124.76 2far h PHE 572 Ca 0.06 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.51 2far h PHE 572 Cb 0.51 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 2far h PHE 572 CO 0.01 0.18 -0.18 0.45 -2.23 0.00 0.00 178.31 176.54 2far h HIS 573 N 0.27 0.27 -0.18 0.41 3.86 -1.10 0.09 115.15 118.78 2far h HIS 573 Ca 0.08 -0.04 -0.09 0.00 -1.16 0.00 0.00 60.37 59.16 2far h HIS 573 Cb -0.01 -0.07 -0.00 0.00 1.06 0.00 0.00 27.41 28.38 2far h HIS 573 CO -0.06 0.43 -0.23 0.00 0.86 0.00 0.00 177.93 178.94 2far h ALA 574 N 1.58 0.27 -0.47 2.45 0.00 -0.99 0.83 119.26 122.92 2far h ALA 574 Ca 0.04 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.50 2far h ALA 574 Cb 0.47 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2far h ALA 574 CO 0.03 0.22 -0.04 -0.09 0.00 0.00 0.00 179.25 179.37 2far h ARG 575 N 0.11 0.82 -0.24 0.00 2.43 -0.58 -3.21 114.38 113.71 2far h ARG 575 Ca 0.02 -0.24 -0.06 0.00 -0.81 0.00 0.00 59.98 58.89 2far h ARG 575 Cb 0.79 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.22 2far h ARG 575 CO 0.05 0.85 -0.04 0.66 -1.51 0.00 0.00 179.97 179.98 2far n TYR 576 N -4.19 0.82 -0.35 2.20 4.02 -0.01 -4.72 117.16 114.93 2far n TYR 576 Ca 0.02 -1.15 0.11 0.00 -0.01 0.00 0.00 57.90 56.87 2far n TYR 576 Cb 0.33 -0.34 0.29 0.00 -0.02 0.00 0.00 39.34 39.59 2far n TYR 576 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2far h ALA 577 N 1.23 1.57 -0.74 -0.72 0.00 -0.83 -0.83 119.26 118.95 2far h ALA 577 Ca 0.07 0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.11 2far h ALA 577 Cb 1.43 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 19.07 2far h ALA 577 CO 0.24 0.01 0.49 0.38 0.00 0.00 0.00 179.25 180.36 2far h ASP 578 N 0.80 0.69 -0.14 0.00 2.03 -1.85 0.46 116.42 118.42 2far h ASP 578 Ca 0.54 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.81 2far h ASP 578 Cb 0.76 -0.15 -0.00 0.00 -0.83 0.00 0.00 39.33 39.11 2far h ASP 578 CO -0.35 0.45 -0.04 -0.07 -1.03 0.00 0.00 179.24 178.20 2far h LEU 579 N 0.78 0.27 -0.68 0.15 3.38 -1.52 -2.76 115.31 114.93 2far h LEU 579 Ca 0.32 -0.37 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 2far h LEU 579 Cb 0.24 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2far h LEU 579 CO -0.11 0.58 -0.21 -0.07 0.09 0.00 0.00 178.44 178.73 2far h LEU 580 N -0.05 0.82 -1.97 1.67 3.38 -1.34 -2.79 115.31 115.03 2far h LEU 580 Ca 0.03 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2far h LEU 580 Cb 0.46 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2far h LEU 580 CO 0.01 1.00 0.00 -0.07 0.09 0.00 0.00 178.44 179.48 2far h LEU 581 N 0.71 0.00 -1.65 1.67 3.38 -0.87 -1.37 115.31 117.18 2far h LEU 581 Ca 0.10 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.13 2far h LEU 581 Cb 0.72 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 2far h LEU 581 CO 0.06 0.00 0.33 0.03 0.09 0.00 0.00 178.44 178.95 2far h ARG 582 N 0.00 0.42 0.00 1.13 3.08 -1.19 -1.94 114.38 115.87 2far h ARG 582 Ca 0.00 -0.03 -0.38 0.00 0.07 0.00 0.00 59.98 59.64 2far h ARG 582 Cb 0.17 -0.10 -0.07 0.00 0.08 0.00 0.00 29.97 30.06 2far h ARG 582 CO 0.00 0.28 -2.45 -3.47 -1.07 0.00 0.00 179.97 173.26 2far n ASP 583 N -4.47 1.88 0.05 7.04 2.03 -0.61 -4.70 116.55 117.77 2far n ASP 583 Ca 0.07 -0.13 -0.15 0.00 0.52 0.00 0.00 54.79 55.10 2far n ASP 583 Cb 0.25 -0.31 -0.05 0.00 -0.72 0.00 0.00 41.12 40.28 2far n ASP 583 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2far h LEU 584 N 0.00 0.64 -0.96 -2.67 3.38 -1.25 -3.38 115.31 111.08 2far h LEU 584 Ca -0.57 -0.50 0.35 0.00 0.09 0.00 0.00 57.88 57.25 2far h LEU 584 Cb 1.91 -0.20 -0.17 0.00 0.09 0.00 0.00 40.66 42.29 2far h LEU 584 CO -0.08 1.30 0.32 -1.14 0.09 0.00 0.00 178.44 178.93 2far n ARG 585 N -3.79 -0.06 -0.21 1.13 0.63 -0.74 -1.79 116.66 111.83 2far n ARG 585 Ca -0.08 1.37 0.09 0.00 -0.92 0.00 0.00 57.85 58.31 2far n ARG 585 Cb 0.83 -2.34 0.16 0.00 0.45 0.00 0.00 32.46 31.56 2far n ARG 585 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2far n GLU 586 N -5.27 1.37 -4.24 -0.14 -0.58 -1.26 -4.65 120.64 105.87 2far n GLU 586 Ca 0.31 -2.78 -0.21 0.00 -0.42 0.00 0.00 57.16 54.07 2far n GLU 586 Cb 1.04 -1.53 -0.12 0.00 -0.57 0.00 0.00 31.44 30.26 2far n GLU 586 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2far s ARG 587 N -2.98 0.96 0.49 3.49 0.52 -0.74 -1.05 118.95 119.64 2far s ARG 587 Ca 0.34 -1.02 -0.22 0.00 -0.52 0.00 0.00 55.73 54.30 2far s ARG 587 Cb 0.30 -1.07 -0.07 0.00 0.52 0.00 0.00 34.95 34.64 2far s ARG 587 CO 0.00 0.25 1.22 -2.14 0.02 0.00 0.00 175.30 174.65 2far s PRO 588 N -1.74 3.56 -0.01 3.54 0.02 -1.26 -4.56 135.00 134.55 2far s PRO 588 Ca 0.02 1.89 0.05 0.00 0.02 0.00 0.00 61.00 62.98 2far s PRO 588 Cb -0.10 -2.34 -0.01 0.00 0.02 0.00 0.00 34.50 32.07 2far s PRO 588 CO 0.03 -0.75 -0.15 0.54 -0.33 0.00 0.00 177.00 176.34 2far s VAL 589 N -1.49 1.20 -0.07 3.83 0.11 0.21 -2.65 120.40 121.55 2far s VAL 589 Ca 0.66 -0.66 -0.02 0.00 -2.93 0.00 0.00 61.98 59.03 2far s VAL 589 Cb -0.32 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.50 2far s VAL 589 CO 0.38 0.33 0.04 -0.44 -3.33 0.00 0.00 175.10 172.08 2far s SER 590 N -0.38 5.48 -0.06 3.54 0.01 0.95 -4.37 113.70 118.86 2far s SER 590 Ca 0.06 0.18 -0.01 0.00 1.31 0.00 0.00 55.95 57.48 2far s SER 590 Cb -0.06 -1.57 -0.03 0.00 0.21 0.00 0.00 66.02 64.56 2far s SER 590 CO -0.01 0.35 0.01 -0.76 0.41 0.00 0.00 173.24 173.24 2far s LEU 591 N -1.14 3.59 -0.40 2.44 1.43 0.00 -1.35 118.68 123.24 2far s LEU 591 Ca 0.16 0.12 -0.04 0.00 -1.03 0.00 0.00 54.13 53.34 2far s LEU 591 Cb -0.12 -1.88 0.10 0.00 0.03 0.00 0.00 46.19 44.32 2far s LEU 591 CO 0.06 0.35 0.20 -0.69 0.23 0.00 0.00 176.35 176.50 2far s VAL 592 N -0.94 3.39 -0.13 -1.59 1.01 -0.43 -0.56 120.40 121.15 2far s VAL 592 Ca 0.15 -1.93 -0.07 0.00 0.00 0.00 0.00 61.98 60.13 2far s VAL 592 Cb -0.11 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 2far s VAL 592 CO 0.04 -0.63 0.13 -0.13 0.00 0.00 0.00 175.10 174.51 2far s ARG 593 N 1.19 3.52 -0.41 2.72 0.52 0.06 -0.73 118.95 125.80 2far s ARG 593 Ca 0.07 -0.17 0.02 0.00 -0.52 0.00 0.00 55.73 55.12 2far s ARG 593 Cb -0.23 -3.19 0.13 0.00 0.52 0.00 0.00 34.95 32.18 2far s ARG 593 CO -0.03 0.70 0.22 0.20 0.02 0.00 0.00 175.30 176.40 2far s GLY 594 N -0.81 1.51 0.60 -3.53 0.00 0.30 -0.58 107.32 104.81 2far s GLY 594 Ca 0.14 -2.40 0.36 0.00 0.00 0.00 0.00 44.72 42.82 2far s GLY 594 CO 0.03 1.61 2.24 -0.56 0.00 0.00 0.00 173.10 176.42 2far h PRO 595 N 6.93 0.00 -0.11 2.90 0.13 -1.78 -2.50 132.00 137.57 2far h PRO 595 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 2far h PRO 595 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 2far h PRO 595 CO 0.45 0.03 0.00 -0.25 -0.23 0.00 0.00 178.00 178.00 2far n ASP 596 N -3.42 2.91 0.00 1.44 8.00 -1.26 -5.06 116.55 119.16 2far n ASP 596 Ca -0.02 -2.92 0.00 0.00 0.71 0.00 0.00 54.79 52.55 2far n ASP 596 Cb 0.13 -0.43 0.00 0.00 -0.02 0.00 0.00 41.12 40.80 2far n ASP 596 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2far n GLY 597 N -0.93 -2.45 0.07 0.44 0.00 -0.94 -3.90 105.19 97.48 2far n GLY 597 Ca 0.16 -1.62 0.10 0.00 0.00 0.00 0.00 46.02 44.66 2far n GLY 597 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2far n ILE 598 N -0.50 0.90 0.76 -0.61 -5.35 -0.34 -1.89 119.36 112.33 2far n ILE 598 Ca 0.00 0.24 0.13 0.00 -0.27 0.00 0.00 62.75 62.85 2far n ILE 598 Cb 0.00 -1.09 0.41 0.00 -1.74 0.00 0.00 39.64 37.22 2far n ILE 598 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2far n GLY 599 N 0.00 -1.55 0.00 3.28 0.00 -1.26 -4.84 105.19 100.82 2far n GLY 599 Ca 0.03 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2far n GLY 599 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2far n GLY 600 N 1.39 2.16 3.97 -0.02 0.00 -0.79 -5.11 105.19 106.78 2far n GLY 600 Ca 0.06 -2.03 -0.21 0.00 0.00 0.00 0.00 46.02 43.83 2far n GLY 600 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2far s GLU 601 N 2.98 3.20 -0.06 1.61 8.01 -1.26 -4.95 118.70 128.22 2far s GLU 601 Ca 0.00 -0.69 0.03 0.00 0.01 0.00 0.00 54.97 54.32 2far s GLU 601 Cb 0.00 -2.72 -0.02 0.00 -4.31 0.00 0.00 34.13 27.08 2far s GLU 601 CO 0.00 0.01 -0.15 -0.51 0.01 0.00 0.00 175.26 174.62 2far s LEU 602 N -4.30 2.65 -0.25 1.80 1.43 -1.26 -4.39 118.68 114.36 2far s LEU 602 Ca 0.44 -0.25 -0.07 0.00 -1.03 0.00 0.00 54.13 53.21 2far s LEU 602 Cb -0.10 -1.54 -0.03 0.00 0.03 0.00 0.00 46.19 44.56 2far s LEU 602 CO 0.34 0.31 0.08 0.12 0.23 0.00 0.00 176.35 177.42 2far s PHE 603 N -0.51 3.09 -0.55 0.29 5.36 0.25 -4.93 117.98 120.97 2far s PHE 603 Ca 0.07 -0.42 -0.18 0.00 -0.96 0.00 0.00 56.93 55.44 2far s PHE 603 Cb -0.12 -2.25 0.10 0.00 -0.34 0.00 0.00 43.02 40.42 2far s PHE 603 CO 0.01 -0.36 0.61 0.12 -1.46 0.00 0.00 175.22 174.15 2far s PHE 604 N 1.62 3.09 -0.19 10.12 5.36 -1.26 -0.76 117.98 135.95 2far s PHE 604 Ca 0.06 -0.95 -0.08 0.00 -0.96 0.00 0.00 56.93 55.00 2far s PHE 604 Cb -0.15 -3.79 -0.04 0.00 -0.34 0.00 0.00 43.02 38.70 2far s PHE 604 CO 0.04 -1.13 0.07 -1.14 -1.46 0.00 0.00 175.22 171.60 2far s GLN 605 N 2.33 3.97 -0.17 10.12 0.74 0.28 -4.95 119.66 131.98 2far s GLN 605 Ca 0.09 -0.34 0.04 0.00 0.05 0.00 0.00 55.36 55.21 2far s GLN 605 Cb -0.25 -3.26 -0.13 0.00 1.10 0.00 0.00 33.01 30.48 2far s GLN 605 CO 0.07 0.23 -0.11 1.63 -0.55 0.00 0.00 175.29 176.56 2far n LYS 606 N 3.68 0.77 -4.33 1.67 5.02 -1.26 -0.82 118.16 122.88 2far n LYS 606 Ca -0.16 0.08 -0.22 0.00 -2.02 0.00 0.00 58.31 55.98 2far n LYS 606 Cb 0.52 -1.36 -0.11 0.00 -0.02 0.00 0.00 35.03 34.06 2far n LYS 606 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 2far s HIS 607 N -2.35 1.83 -0.14 2.13 3.76 -1.26 -3.70 115.29 115.55 2far s HIS 607 Ca -0.20 -0.46 -0.07 0.00 -0.15 0.00 0.00 55.06 54.18 2far s HIS 607 Cb 0.06 -0.92 0.06 0.00 1.11 0.00 0.00 32.58 32.89 2far s HIS 607 CO 0.45 0.33 0.34 0.00 -0.85 0.00 0.00 174.74 175.01 2far s ALA 608 N -2.00 -0.84 -0.05 -1.40 0.00 -0.80 -4.95 121.76 111.71 2far s ALA 608 Ca 0.15 1.29 -0.20 0.00 0.00 0.00 0.00 51.96 53.21 2far s ALA 608 Cb -0.06 -0.85 -0.31 0.00 0.00 0.00 0.00 23.12 21.90 2far s ALA 608 CO 0.07 -0.29 0.83 0.00 0.00 0.00 0.00 175.76 176.36 2far h ALA 609 N 7.30 -0.04 -3.79 0.00 0.00 -1.93 -3.33 119.26 117.47 2far h ALA 609 Ca -0.35 -0.81 -0.58 0.00 0.00 0.00 0.00 54.91 53.17 2far h ALA 609 Cb 1.16 0.20 -0.23 0.00 0.00 0.00 0.00 17.79 18.93 2far h ALA 609 CO 0.30 0.53 -0.83 1.03 0.00 0.00 0.00 179.25 180.27 2far s ARG 610 N -2.46 1.22 0.04 0.00 0.52 -1.26 -4.96 118.95 112.04 2far s ARG 610 Ca -0.15 -1.13 0.01 0.00 -0.52 0.00 0.00 55.73 53.95 2far s ARG 610 Cb 0.02 -1.47 -0.02 0.00 0.52 0.00 0.00 34.95 34.00 2far s ARG 610 CO 0.83 0.35 -0.06 -0.51 0.02 0.00 0.00 175.30 175.93 2far s LEU 611 N -1.74 2.26 -0.13 2.53 1.43 -1.26 -4.99 118.68 116.78 2far s LEU 611 Ca 0.07 -0.56 0.19 0.00 -1.03 0.00 0.00 54.13 52.80 2far s LEU 611 Cb -0.10 -0.06 0.29 0.00 0.03 0.00 0.00 46.19 46.35 2far s LEU 611 CO 0.04 -0.26 1.15 1.17 0.23 0.00 0.00 176.35 178.68 2far n LYS 612 N 1.43 1.26 -3.68 1.70 3.00 -1.26 -4.86 118.16 115.75 2far n LYS 612 Ca -0.23 -2.56 -0.35 0.00 -0.00 0.00 0.00 58.31 55.18 2far n LYS 612 Cb 0.55 -1.48 -0.07 0.00 0.00 0.00 0.00 35.03 34.03 2far n LYS 612 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.40 178.36 2far s ILE 613 N -2.83 4.13 0.20 3.15 -4.36 -1.26 -5.05 121.20 115.17 2far s ILE 613 Ca 0.31 -3.97 -0.32 0.00 -0.26 0.00 0.00 60.65 56.41 2far s ILE 613 Cb 0.28 -3.58 -0.15 0.00 1.25 0.00 0.00 42.46 40.26 2far s ILE 613 CO 0.03 -1.08 1.20 -2.65 0.24 0.00 0.00 174.94 172.68 2far n PRO 614 N 2.23 1.39 0.00 0.37 -0.02 -1.26 -2.09 135.00 135.63 2far n PRO 614 Ca 0.22 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 2far n PRO 614 Cb 0.37 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 2far n PRO 614 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2far n GLY 615 N 1.96 2.62 3.72 -1.23 0.00 -1.26 -4.03 105.19 106.96 2far n GLY 615 Ca 0.14 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 2far n GLY 615 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2far s ILE 616 N -1.99 3.06 -0.13 -0.61 1.01 -0.89 -4.72 121.20 116.92 2far s ILE 616 Ca 0.00 0.79 -0.21 0.00 0.00 0.00 0.00 60.65 61.23 2far s ILE 616 Cb 0.00 -3.51 -0.03 0.00 0.01 0.00 0.00 42.46 38.93 2far s ILE 616 CO 0.00 0.08 0.61 -0.69 0.00 0.00 0.00 174.94 174.94 2far s VAL 617 N 0.86 5.07 -0.29 2.92 1.01 -0.14 -4.96 120.40 124.87 2far s VAL 617 Ca 0.64 1.21 -0.16 0.00 0.00 0.00 0.00 61.98 63.67 2far s VAL 617 Cb -0.39 -3.94 -0.03 0.00 0.00 0.00 0.00 36.38 32.02 2far s VAL 617 CO 0.33 0.21 0.43 -1.10 0.00 0.00 0.00 175.10 174.97 2far s GLN 618 N 1.22 3.94 0.69 2.72 -0.21 -1.26 -1.50 119.66 125.26 2far s GLN 618 Ca 0.31 0.05 -0.11 0.00 0.02 0.00 0.00 55.36 55.63 2far s GLN 618 Cb -0.16 -3.69 0.01 0.00 1.00 0.00 0.00 33.01 30.16 2far s GLN 618 CO 0.13 -0.37 1.06 -0.51 -2.12 0.00 0.00 175.29 173.48 2far s LEU 619 N 2.18 3.07 0.14 2.90 1.43 -0.36 -4.94 118.68 123.09 2far s LEU 619 Ca 0.17 1.51 -0.32 0.00 -1.03 0.00 0.00 54.13 54.47 2far s LEU 619 Cb -0.16 -4.39 -0.11 0.00 0.03 0.00 0.00 46.19 41.56 2far s LEU 619 CO 0.10 -1.39 1.81 -0.67 0.23 0.00 0.00 176.35 176.44 2far n ASP 620 N -3.09 4.01 0.15 2.29 2.03 -1.26 -4.10 116.55 116.58 2far n ASP 620 Ca 0.07 1.00 0.18 0.00 0.52 0.00 0.00 54.79 56.56 2far n ASP 620 Cb 0.54 -1.55 0.78 0.00 -0.72 0.00 0.00 41.12 40.18 2far n ASP 620 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2far h PRO 621 N 8.18 0.00 0.00 -0.67 0.11 -1.92 -0.91 132.00 136.79 2far h PRO 621 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2far h PRO 621 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2far h PRO 621 CO 0.95 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.74 2far h ALA 622 N 1.70 1.00 -0.00 -0.75 0.00 -1.95 0.23 119.26 119.49 2far h ALA 622 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2far h ALA 622 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2far h ALA 622 CO -0.00 0.00 -0.03 1.28 0.00 0.00 0.00 179.25 180.50 2far n LEU 623 N -2.31 0.05 -2.73 0.00 4.77 -0.35 -4.30 117.00 112.13 2far n LEU 623 Ca -0.01 0.36 -0.07 0.00 -0.03 0.00 0.00 56.01 56.26 2far n LEU 623 Cb 0.06 -0.38 0.05 0.00 -2.33 0.00 0.00 43.42 40.82 2far n LEU 623 CO 0.11 0.01 0.29 -0.67 -1.33 0.00 0.00 177.39 175.81 2far n ASP 624 N -1.38 -2.53 -4.63 -1.43 2.03 0.04 -5.09 116.55 103.57 2far n ASP 624 Ca 0.10 -2.90 -0.44 0.00 0.52 0.00 0.00 54.79 52.08 2far n ASP 624 Cb 0.30 1.55 -0.01 0.00 -0.72 0.00 0.00 41.12 42.24 2far n ASP 624 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 2far n PRO 625 N 1.69 1.64 -0.55 -0.67 -0.02 -1.06 -2.75 135.00 133.28 2far n PRO 625 Ca 0.08 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 2far n PRO 625 Cb 0.65 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 2far n PRO 625 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2far n GLY 626 N 1.05 0.75 3.14 -1.23 0.00 -1.26 -5.05 105.19 102.58 2far n GLY 626 Ca 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 2far n GLY 626 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2far s HIS 627 N -2.44 0.73 1.17 1.61 3.76 -1.11 -5.15 115.29 113.86 2far s HIS 627 Ca 0.00 -0.99 -0.16 0.00 -0.15 0.00 0.00 55.06 53.76 2far s HIS 627 Cb 0.00 -0.46 0.27 0.00 1.11 0.00 0.00 32.58 33.50 2far s HIS 627 CO 0.00 -0.25 1.06 -2.14 -0.85 0.00 0.00 174.74 172.56 2far s PRO 628 N -3.87 -0.92 0.40 8.40 0.02 -1.26 -4.92 135.00 132.85 2far s PRO 628 Ca 0.10 0.34 -0.26 0.00 0.02 0.00 0.00 61.00 61.19 2far s PRO 628 Cb 0.06 -1.60 -0.10 0.00 0.02 0.00 0.00 34.50 32.89 2far s PRO 628 CO -0.07 -3.60 1.33 -2.30 -0.33 0.00 0.00 177.00 172.03 2far n PRO 629 N -4.75 2.13 -1.26 5.54 -0.02 -1.25 -4.60 135.00 130.78 2far n PRO 629 Ca 0.08 0.75 -0.29 0.00 -2.02 0.00 0.00 63.50 62.02 2far n PRO 629 Cb 0.58 -2.44 0.20 0.00 -0.02 0.00 0.00 33.50 31.82 2far n PRO 629 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2far s LEU 630 N -1.69 1.34 0.11 2.45 1.43 -1.26 -1.91 118.68 119.16 2far s LEU 630 Ca 0.58 0.80 0.09 0.00 -1.03 0.00 0.00 54.13 54.58 2far s LEU 630 Cb -0.51 -2.78 -0.04 0.00 0.03 0.00 0.00 46.19 42.89 2far s LEU 630 CO 0.60 -3.47 -0.23 -0.76 0.23 0.00 0.00 176.35 172.72 2far s LEU 631 N -6.56 2.30 -0.08 1.79 1.43 -1.24 -1.23 118.68 115.09 2far s LEU 631 Ca 0.68 -0.70 -0.04 0.00 -1.03 0.00 0.00 54.13 53.05 2far s LEU 631 Cb -0.13 -1.01 0.04 0.00 0.03 0.00 0.00 46.19 45.13 2far s LEU 631 CO 0.56 0.11 0.18 -1.58 0.23 0.00 0.00 176.35 175.84 2far s GLN 632 N -1.93 0.12 -0.25 1.70 0.74 -0.56 -0.62 119.66 118.86 2far s GLN 632 Ca 0.09 0.45 -0.05 0.00 0.05 0.00 0.00 55.36 55.89 2far s GLN 632 Cb -0.10 -0.17 -0.01 0.00 1.10 0.00 0.00 33.01 33.84 2far s GLN 632 CO 0.05 -0.18 0.02 0.42 -0.55 0.00 0.00 175.29 175.04 2far s ILE 633 N 1.35 3.74 -0.00 -2.34 1.01 -1.26 -0.97 121.20 122.72 2far s ILE 633 Ca -0.08 -0.51 0.01 0.00 0.00 0.00 0.00 60.65 60.07 2far s ILE 633 Cb -0.11 -2.79 0.01 0.00 0.01 0.00 0.00 42.46 39.57 2far s ILE 633 CO -0.07 0.29 0.88 0.54 0.00 0.00 0.00 174.94 176.58 2far n ARG 634 N 4.84 2.17 -3.81 2.79 1.74 -1.26 -3.48 116.66 119.66 2far n ARG 634 Ca -0.17 -1.29 -0.09 0.00 -0.77 0.00 0.00 57.85 55.53 2far n ARG 634 Cb 0.50 -0.89 -0.06 0.00 -1.02 0.00 0.00 32.46 30.99 2far n ARG 634 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2far s SER 635 N -0.82 -0.02 0.24 0.55 1.04 -1.26 -4.94 113.70 108.49 2far s SER 635 Ca 0.01 -0.60 -0.05 0.00 0.48 0.00 0.00 55.95 55.79 2far s SER 635 Cb 0.01 0.42 0.25 0.00 0.10 0.00 0.00 66.02 66.79 2far s SER 635 CO 0.00 -0.83 1.80 0.00 0.98 0.00 0.00 173.24 175.19 2far h ALA 636 N 2.55 1.11 -0.43 5.32 0.00 -1.94 -0.36 119.26 125.51 2far h ALA 636 Ca -0.33 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.39 2far h ALA 636 Cb 1.23 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 2far h ALA 636 CO 0.50 0.62 0.26 1.49 0.00 0.00 0.00 179.25 182.13 2far h GLU 637 N 1.03 0.52 -0.46 0.00 4.81 -1.92 0.55 114.58 119.12 2far h GLU 637 Ca 0.23 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.32 2far h GLU 637 Cb 0.25 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 2far h GLU 637 CO -0.01 0.34 -0.17 0.00 -0.73 0.00 0.00 179.01 178.44 2far h ALA 638 N 1.18 0.64 0.20 2.92 0.00 -1.62 -0.24 119.26 122.34 2far h ALA 638 Ca 0.17 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 2far h ALA 638 Cb -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2far h ALA 638 CO -0.07 0.59 -0.10 1.25 0.00 0.00 0.00 179.25 180.92 2far h LEU 639 N 0.77 -0.23 -1.02 0.00 5.85 -0.62 -0.24 115.31 119.82 2far h LEU 639 Ca 0.11 -0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.75 2far h LEU 639 Cb 0.73 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 2far h LEU 639 CO 0.06 -0.15 -0.15 0.58 -0.34 0.00 0.00 178.44 178.44 2far h VAL 640 N -0.28 1.24 -0.93 1.05 2.07 -0.91 -2.29 116.25 116.20 2far h VAL 640 Ca -0.03 -1.09 -0.01 0.00 0.82 0.00 0.00 66.70 66.39 2far h VAL 640 Cb 0.21 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 2far h VAL 640 CO 0.04 0.36 0.55 1.23 0.02 0.00 0.00 177.57 179.77 2far h GLY 641 N 0.95 1.36 1.01 2.17 0.00 -0.70 0.76 103.07 108.62 2far h GLY 641 Ca 0.09 -0.58 -0.00 0.00 0.00 0.00 0.00 47.33 46.84 2far h GLY 641 CO 0.03 0.56 0.49 0.00 0.00 0.00 0.00 176.54 177.63 2far h ALA 642 N 1.30 1.03 -0.52 3.60 0.00 -0.48 -1.84 119.26 122.35 2far h ALA 642 Ca 0.33 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 2far h ALA 642 Cb -0.04 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 2far h ALA 642 CO -0.06 0.48 0.15 0.28 0.00 0.00 0.00 179.25 180.11 2far h VAL 643 N 1.10 1.23 -0.69 0.00 2.07 -1.03 -1.04 116.25 117.89 2far h VAL 643 Ca 0.29 -0.80 0.15 0.00 0.82 0.00 0.00 66.70 67.17 2far h VAL 643 Cb -0.06 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 2far h VAL 643 CO -0.06 0.29 0.47 -0.61 0.02 0.00 0.00 177.57 177.69 2far h GLN 644 N 0.71 0.27 -0.76 1.57 5.75 -0.31 0.17 115.11 122.52 2far h GLN 644 Ca 0.17 -0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 58.62 2far h GLN 644 Cb 0.29 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.76 2far h GLN 644 CO -0.00 0.18 0.04 -1.33 -2.65 0.00 0.00 178.83 175.07 2far n MET 645 N -4.44 3.38 -0.05 1.69 2.81 -0.67 -4.83 117.12 115.00 2far n MET 645 Ca 0.13 -2.03 0.00 0.00 -1.81 0.00 0.00 57.70 53.99 2far n MET 645 Cb 0.57 -1.98 0.00 0.00 -0.71 0.00 0.00 33.22 31.10 2far n MET 645 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2far n GLY 646 N 0.32 0.42 3.75 3.03 0.00 0.61 -4.92 105.19 108.40 2far n GLY 646 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 2far n GLY 646 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2far s SER 647 N -2.56 6.70 -0.00 1.61 0.01 -0.48 -0.54 113.70 118.44 2far s SER 647 Ca 0.00 2.64 -0.00 0.00 1.31 0.00 0.00 55.95 59.90 2far s SER 647 Cb 0.00 -2.63 -0.00 0.00 0.21 0.00 0.00 66.02 63.60 2far s SER 647 CO 0.00 -0.65 -0.00 -0.38 0.41 0.00 0.00 173.24 172.61 2far n ILE 648 N 2.09 0.01 -4.54 1.44 5.41 0.09 -4.31 119.36 119.55 2far n ILE 648 Ca 0.05 -0.01 -0.30 0.00 1.00 0.00 0.00 62.75 63.50 2far n ILE 648 Cb 0.41 -0.72 -0.13 0.00 -0.71 0.00 0.00 39.64 38.48 2far n ILE 648 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 2far s GLU 649 N -2.00 1.65 -0.13 0.38 2.02 -1.04 -4.25 118.70 115.34 2far s GLU 649 Ca -0.00 -1.21 0.02 0.00 0.02 0.00 0.00 54.97 53.79 2far s GLU 649 Cb 0.00 -1.99 0.01 0.00 0.10 0.00 0.00 34.13 32.25 2far s GLU 649 CO 0.01 0.48 -0.17 -0.06 0.02 0.00 0.00 175.26 175.54 2far s PHE 650 N -0.99 2.20 -0.08 1.61 0.08 -1.26 -1.32 117.98 118.22 2far s PHE 650 Ca 0.14 -1.10 0.05 0.00 0.12 0.00 0.00 56.93 56.13 2far s PHE 650 Cb -0.10 -1.57 -0.01 0.00 -0.57 0.00 0.00 43.02 40.78 2far s PHE 650 CO 0.06 -0.55 -0.24 -1.01 -0.10 0.00 0.00 175.22 173.38 2far s HIS 651 N 1.04 2.53 0.24 0.36 3.76 -0.46 -0.63 115.29 122.12 2far s HIS 651 Ca -0.04 -0.88 0.08 0.00 -0.15 0.00 0.00 55.06 54.07 2far s HIS 651 Cb -0.15 -1.67 -0.04 0.00 1.11 0.00 0.00 32.58 31.83 2far s HIS 651 CO -0.04 -0.31 0.04 0.95 -0.85 0.00 0.00 174.74 174.53 2far s THR 652 N 0.12 3.73 0.75 1.30 -4.23 -0.51 -0.03 115.64 116.77 2far s THR 652 Ca -0.12 -1.67 -0.11 0.00 -1.18 0.00 0.00 61.69 58.61 2far s THR 652 Cb -0.16 -2.96 0.04 0.00 1.34 0.00 0.00 72.50 70.76 2far s THR 652 CO 0.06 -0.29 1.08 0.26 -0.54 0.00 0.00 174.62 175.19 2far s TRP 653 N -2.11 2.96 -0.27 3.99 0.52 -1.09 -1.90 118.94 121.04 2far s TRP 653 Ca 0.31 1.26 0.01 0.00 0.02 0.00 0.00 56.10 57.70 2far s TRP 653 Cb -0.08 -3.02 0.33 0.00 -1.15 0.00 0.00 33.47 29.56 2far s TRP 653 CO 0.20 -1.53 1.62 0.09 0.02 0.00 0.00 176.95 177.35 2far n ASN 654 N -3.30 4.16 -3.74 2.95 3.02 -1.26 -4.83 115.26 112.26 2far n ASN 654 Ca 0.07 -2.94 -0.12 0.00 -0.03 0.00 0.00 54.58 51.56 2far n ASN 654 Cb 0.55 -0.77 -0.07 0.00 -0.61 0.00 0.00 39.78 38.88 2far n ASN 654 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2far s ALA 655 N -1.85 -0.75 0.29 5.41 0.00 -1.26 -0.70 121.76 122.90 2far s ALA 655 Ca 0.32 0.12 0.09 0.00 0.00 0.00 0.00 51.96 52.49 2far s ALA 655 Cb 0.26 0.26 -0.04 0.00 0.00 0.00 0.00 23.12 23.61 2far s ALA 655 CO 0.04 -0.38 0.06 -1.12 0.00 0.00 0.00 175.76 174.36 2far s SER 656 N -1.88 4.67 0.25 0.00 0.01 -1.26 -4.36 113.70 111.12 2far s SER 656 Ca -0.07 -0.65 0.13 0.00 1.31 0.00 0.00 55.95 56.67 2far s SER 656 Cb -0.02 -0.86 0.73 0.00 0.21 0.00 0.00 66.02 66.08 2far s SER 656 CO -0.01 -0.09 1.35 0.18 0.41 0.00 0.00 173.24 175.08 2far n LEU 657 N -0.99 0.35 -0.08 2.44 4.77 -0.22 -1.34 117.00 121.93 2far n LEU 657 Ca -0.06 0.61 0.01 0.00 -0.03 0.00 0.00 56.01 56.54 2far n LEU 657 Cb 0.60 -0.62 0.31 0.00 -2.33 0.00 0.00 43.42 41.38 2far n LEU 657 CO 0.41 -0.72 1.10 0.00 -1.33 0.00 0.00 177.39 176.85 2far h ALA 658 N 1.63 1.49 -0.61 -1.18 0.00 -1.95 -3.41 119.26 115.23 2far h ALA 658 Ca 0.00 -0.10 0.15 0.00 0.00 0.00 0.00 54.91 54.96 2far h ALA 658 Cb 0.25 -0.21 -0.20 0.00 0.00 0.00 0.00 17.79 17.63 2far h ALA 658 CO 0.00 0.41 -0.10 1.21 0.00 0.00 0.00 179.25 180.77 2far s ASN 659 N -6.59 -0.91 0.00 0.00 3.84 -0.45 -5.03 114.94 105.79 2far s ASN 659 Ca -0.09 0.34 0.24 0.00 0.21 0.00 0.00 52.86 53.56 2far s ASN 659 Cb 0.17 1.67 1.19 0.00 -0.55 0.00 0.00 41.25 43.73 2far s ASN 659 CO 0.76 -0.17 1.80 0.18 -2.79 0.00 0.00 177.10 176.88 2far n LEU 660 N 5.36 0.74 -1.04 3.21 4.77 -1.23 -3.35 117.00 125.47 2far n LEU 660 Ca 0.01 -0.28 0.12 0.00 -0.03 0.00 0.00 56.01 55.82 2far n LEU 660 Cb 0.54 -0.03 0.16 0.00 -2.33 0.00 0.00 43.42 41.76 2far n LEU 660 CO -0.08 0.14 0.66 -0.62 -1.33 0.00 0.00 177.39 176.16 2far n GLU 661 N -0.35 2.38 -3.49 3.23 -0.58 -1.26 -4.77 120.64 115.79 2far n GLU 661 Ca 0.18 -2.10 -0.21 0.00 -0.42 0.00 0.00 57.16 54.62 2far n GLU 661 Cb 0.20 -1.48 -0.13 0.00 -0.57 0.00 0.00 31.44 29.46 2far n GLU 661 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2far s ARG 662 N -1.71 0.21 0.51 3.49 0.52 -1.21 -4.30 118.95 116.46 2far s ARG 662 Ca 0.33 -0.03 -0.23 0.00 -0.52 0.00 0.00 55.73 55.28 2far s ARG 662 Cb 0.21 -1.15 -0.06 0.00 0.52 0.00 0.00 34.95 34.47 2far s ARG 662 CO 0.30 -0.80 1.38 -1.25 0.02 0.00 0.00 175.30 174.95 2far s PRO 663 N 2.27 3.34 -0.24 3.54 0.04 -1.26 -4.75 135.00 137.95 2far s PRO 663 Ca 0.07 2.30 0.14 0.00 0.04 0.00 0.00 61.00 63.55 2far s PRO 663 Cb -0.15 -2.40 0.67 0.00 0.04 0.00 0.00 34.50 32.66 2far s PRO 663 CO -0.21 -1.05 1.62 -0.40 0.04 0.00 0.00 177.00 177.00 2far n ASP 664 N -0.72 4.60 0.00 6.66 5.68 0.13 -4.51 116.55 128.39 2far n ASP 664 Ca 0.08 -3.09 0.00 0.00 -0.50 0.00 0.00 54.79 51.28 2far n ASP 664 Cb 0.44 -0.64 0.00 0.00 -1.14 0.00 0.00 41.12 39.78 2far n ASP 664 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 2far n ARG 665 N -0.12 0.00 -4.29 0.11 1.85 -1.22 -1.20 116.66 111.79 2far n ARG 665 Ca 0.29 0.00 -0.16 0.00 -1.00 0.00 0.00 57.85 56.98 2far n ARG 665 Cb 1.11 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 32.42 2far n ARG 665 CO 0.00 0.00 0.00 -0.59 -0.01 0.00 0.00 177.63 177.03 2far s PHE 666 N -2.00 1.44 -0.02 2.89 -0.12 -0.66 -4.82 117.98 114.69 2far s PHE 666 Ca 0.00 -0.74 0.06 0.00 -0.05 0.00 0.00 56.93 56.20 2far s PHE 666 Cb 0.00 -0.74 -0.01 0.00 -0.63 0.00 0.00 43.02 41.64 2far s PHE 666 CO 0.00 0.13 -0.19 0.08 -0.05 0.00 0.00 175.22 175.19 2far s VAL 667 N -3.25 1.54 -0.28 -2.49 1.01 -1.26 -1.71 120.40 113.96 2far s VAL 667 Ca 0.20 -0.83 -0.03 0.00 0.00 0.00 0.00 61.98 61.32 2far s VAL 667 Cb 0.02 -1.28 0.03 0.00 0.00 0.00 0.00 36.38 35.15 2far s VAL 667 CO 0.04 0.44 0.00 -0.76 0.00 0.00 0.00 175.10 174.82 2far s LEU 668 N -0.45 3.66 -0.31 3.92 1.43 0.05 -4.64 118.68 122.34 2far s LEU 668 Ca 0.07 -0.98 -0.07 0.00 -1.03 0.00 0.00 54.13 52.12 2far s LEU 668 Cb -0.08 -1.75 0.02 0.00 0.03 0.00 0.00 46.19 44.41 2far s LEU 668 CO -0.01 -0.20 0.11 -0.62 0.23 0.00 0.00 176.35 175.86 2far s ASP 669 N 1.35 5.27 -0.39 2.29 2.15 -0.72 -1.00 116.67 125.63 2far s ASP 669 Ca -0.01 -0.80 -0.24 0.00 0.43 0.00 0.00 52.55 51.93 2far s ASP 669 Cb -0.18 -1.91 0.01 0.00 -0.30 0.00 0.00 42.92 40.55 2far s ASP 669 CO -0.01 -0.24 0.83 -0.76 -0.17 0.00 0.00 175.17 174.82 2far s LEU 670 N 1.50 4.11 -0.33 -1.34 1.43 -0.82 0.48 118.68 123.70 2far s LEU 670 Ca 0.02 0.30 -0.08 0.00 -1.03 0.00 0.00 54.13 53.35 2far s LEU 670 Cb -0.18 -3.08 0.03 0.00 0.03 0.00 0.00 46.19 42.99 2far s LEU 670 CO 0.03 -0.82 0.12 -1.81 0.23 0.00 0.00 176.35 174.11 2far s ASP 671 N 1.94 5.37 0.43 2.29 1.01 0.18 -3.73 116.67 124.16 2far s ASP 671 Ca 0.33 -0.95 0.02 0.00 0.71 0.00 0.00 52.55 52.66 2far s ASP 671 Cb -0.12 -1.91 0.00 0.00 1.01 0.00 0.00 42.92 41.89 2far s ASP 671 CO 0.19 -0.29 0.63 -2.16 0.21 0.00 0.00 175.17 173.75 2far s PRO 672 N 1.48 3.01 0.09 8.23 0.04 -1.26 0.09 135.00 146.67 2far s PRO 672 Ca 0.01 -0.68 -0.31 0.00 0.04 0.00 0.00 61.00 60.06 2far s PRO 672 Cb -0.19 -2.62 -0.07 0.00 0.04 0.00 0.00 34.50 31.66 2far s PRO 672 CO 0.04 -0.24 1.28 0.34 0.04 0.00 0.00 177.00 178.45 2far s ASP 673 N -4.24 6.97 0.21 6.66 -1.08 -0.82 -4.87 116.67 119.51 2far s ASP 673 Ca 0.49 2.15 0.08 0.00 -0.52 0.00 0.00 52.55 54.75 2far s ASP 673 Cb -0.10 -2.58 0.46 0.00 -1.46 0.00 0.00 42.92 39.24 2far s ASP 673 CO 0.36 -0.54 1.12 -0.81 0.52 0.00 0.00 175.17 175.82 2far n PRO 674 N 3.87 0.06 0.00 4.34 -0.04 -1.26 0.26 135.00 142.22 2far n PRO 674 Ca 0.10 0.47 0.09 0.00 -0.04 0.00 0.00 63.50 64.12 2far n PRO 674 Cb 0.45 -1.95 -0.05 0.00 -0.04 0.00 0.00 33.50 31.91 2far n PRO 674 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2far n ALA 675 N -1.47 3.85 -2.22 0.55 0.00 -1.26 -4.96 120.51 114.99 2far n ALA 675 Ca -0.01 -0.56 -0.42 0.00 0.00 0.00 0.00 53.44 52.46 2far n ALA 675 Cb 0.27 -0.67 -0.03 0.00 0.00 0.00 0.00 19.45 19.02 2far n ALA 675 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2far s LEU 676 N -2.55 4.38 0.55 0.00 2.96 0.14 -4.97 118.68 119.19 2far s LEU 676 Ca 0.12 2.23 -0.20 0.00 -0.22 0.00 0.00 54.13 56.06 2far s LEU 676 Cb 0.15 -3.59 -0.06 0.00 0.50 0.00 0.00 46.19 43.19 2far s LEU 676 CO 0.61 -0.57 1.07 -2.65 -1.32 0.00 0.00 176.35 173.49 2far n PRO 677 N 3.73 1.19 -0.33 0.98 -0.02 -1.26 -4.89 135.00 134.40 2far n PRO 677 Ca 0.10 0.45 0.01 0.00 -2.02 0.00 0.00 63.50 62.03 2far n PRO 677 Cb 0.44 -2.24 0.18 0.00 -0.02 0.00 0.00 33.50 31.85 2far n PRO 677 CO 0.00 0.00 0.00 2.35 1.98 0.00 0.00 175.50 179.83 2far h TRP 678 N 0.94 1.15 -0.31 6.00 2.91 -1.93 -1.17 115.95 123.54 2far h TRP 678 Ca -0.48 0.03 0.09 0.00 1.13 0.00 0.00 58.89 59.66 2far h TRP 678 Cb 1.34 -0.38 -0.01 0.00 -0.51 0.00 0.00 29.16 29.60 2far h TRP 678 CO 0.41 0.66 0.32 -0.22 -1.03 0.00 0.00 178.44 178.57 2far h LYS 679 N 1.18 0.00 -0.27 2.65 3.64 -1.95 0.76 116.57 122.57 2far h LYS 679 Ca 0.38 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.73 2far h LYS 679 Cb 0.02 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 2far h LYS 679 CO -0.12 0.00 0.08 0.00 -2.27 0.00 0.00 179.45 177.14 2far h ARG 680 N 0.00 0.43 -0.79 1.90 2.47 -1.56 -1.63 114.38 115.21 2far h ARG 680 Ca 0.15 -0.10 -0.04 0.00 -1.26 0.00 0.00 59.98 58.73 2far h ARG 680 Cb 0.78 -0.06 -0.04 0.00 -1.65 0.00 0.00 29.97 29.01 2far h ARG 680 CO -0.00 0.51 0.35 1.98 0.56 0.00 0.00 179.97 183.36 2far h MET 681 N 0.28 1.15 -0.29 0.04 4.05 -0.94 0.18 114.93 119.41 2far h MET 681 Ca 0.09 -0.18 -0.04 0.00 -0.28 0.00 0.00 59.70 59.29 2far h MET 681 Cb 0.26 -0.20 -0.01 0.00 -0.80 0.00 0.00 31.60 30.85 2far h MET 681 CO -0.00 0.90 0.04 -0.07 0.23 0.00 0.00 176.91 178.01 2far h LEU 682 N 1.13 0.46 -0.64 3.39 3.38 -1.27 -0.66 115.31 121.10 2far h LEU 682 Ca 0.27 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 2far h LEU 682 Cb 0.16 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 2far h LEU 682 CO -0.03 0.61 0.20 -0.33 0.09 0.00 0.00 178.44 178.98 2far h GLU 683 N 0.30 1.00 -0.55 1.13 5.08 -1.04 -1.54 114.58 118.96 2far h GLU 683 Ca 0.09 -0.22 -0.07 0.00 -1.00 0.00 0.00 59.36 58.15 2far h GLU 683 Cb 0.35 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 2far h GLU 683 CO 0.01 0.88 0.05 0.00 -1.00 0.00 0.00 179.01 178.95 2far h ALA 684 N 1.07 1.04 -0.51 3.43 0.00 -0.82 -1.46 119.26 122.02 2far h ALA 684 Ca 0.21 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 2far h ALA 684 Cb 0.30 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2far h ALA 684 CO -0.01 0.60 -0.08 1.15 0.00 0.00 0.00 179.25 180.92 2far h THR 685 N 0.85 1.27 -0.32 0.00 2.02 -0.85 -0.48 112.91 115.40 2far h THR 685 Ca 0.17 -1.21 -0.01 0.00 0.77 0.00 0.00 66.41 66.13 2far h THR 685 Cb 0.44 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 2far h THR 685 CO 0.02 0.42 0.16 1.56 0.37 0.00 0.00 175.52 178.05 2far h GLN 686 N 0.82 0.46 -0.75 6.66 1.08 -1.00 -1.26 115.11 121.12 2far h GLN 686 Ca 0.13 -0.06 -0.04 0.00 -1.45 0.00 0.00 58.65 57.23 2far h GLN 686 Cb 0.63 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.94 2far h GLN 686 CO 0.04 0.41 0.32 -0.07 -0.95 0.00 0.00 178.83 178.59 2far h LEU 687 N 0.38 1.00 -0.69 1.46 3.38 -1.14 -1.13 115.31 118.58 2far h LEU 687 Ca 0.11 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 2far h LEU 687 Cb 0.10 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 2far h LEU 687 CO -0.01 0.87 0.34 0.28 0.09 0.00 0.00 178.44 180.01 2far h SER 688 N 1.07 0.89 -0.17 -0.43 0.02 -0.76 -2.20 113.55 111.98 2far h SER 688 Ca 0.25 -0.12 -0.08 0.00 -0.84 0.00 0.00 61.79 61.00 2far h SER 688 Cb 0.17 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 2far h SER 688 CO -0.03 0.76 -0.13 -0.07 -1.14 0.00 0.00 176.83 176.23 2far h LEU 689 N 0.95 0.53 -0.82 5.07 3.38 -0.73 -2.15 115.31 121.53 2far h LEU 689 Ca 0.24 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 2far h LEU 689 Cb 0.10 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 2far h LEU 689 CO -0.03 0.69 0.36 0.74 0.09 0.00 0.00 178.44 180.29 2far h THR 690 N 0.50 1.26 -0.42 0.22 2.02 -0.64 0.70 112.91 116.54 2far h THR 690 Ca 0.09 -0.78 -0.06 0.00 0.77 0.00 0.00 66.41 66.44 2far h THR 690 Cb 0.52 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 2far h THR 690 CO 0.03 0.33 0.04 0.25 0.37 0.00 0.00 175.52 176.54 2far h LEU 691 N 1.18 0.69 -1.29 2.58 5.85 -1.13 -1.33 115.31 121.86 2far h LEU 691 Ca 0.28 -0.28 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 2far h LEU 691 Cb 0.17 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 2far h LEU 691 CO -0.03 0.79 0.22 -0.07 -0.34 0.00 0.00 178.44 179.02 2far h LEU 692 N 0.56 0.64 -0.65 2.25 3.38 -0.86 -0.78 115.31 119.85 2far h LEU 692 Ca 0.12 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 2far h LEU 692 Cb 0.41 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 2far h LEU 692 CO 0.01 0.57 0.08 0.44 0.09 0.00 0.00 178.44 179.63 2far h ASP 693 N 0.71 1.06 -0.80 -0.43 3.32 -0.43 0.00 116.42 119.86 2far h ASP 693 Ca 0.18 -0.27 -0.02 0.00 0.02 0.00 0.00 57.03 56.93 2far h ASP 693 Cb 0.11 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.34 2far h ASP 693 CO -0.02 1.06 0.42 -0.33 -1.72 0.00 0.00 179.24 178.65 2far h GLU 694 N 1.01 1.14 0.00 3.56 5.08 -0.30 -1.68 114.58 123.39 2far h GLU 694 Ca 0.19 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2far h GLU 694 Cb 0.47 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2far h GLU 694 CO 0.02 0.85 0.00 -0.07 -1.00 0.00 0.00 179.01 178.81 2far h LEU 695 N 1.14 0.00 -0.18 1.33 3.38 -0.78 -3.47 115.31 116.73 2far h LEU 695 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 2far h LEU 695 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2far h LEU 695 CO -0.04 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.10 2far n GLY 696 N 0.66 0.65 3.32 0.83 0.00 -0.38 -4.84 105.19 105.43 2far n GLY 696 Ca 0.03 -0.74 -0.33 0.00 0.00 0.00 0.00 46.02 44.98 2far n GLY 696 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2far s LEU 697 N -0.18 2.52 0.09 0.99 1.43 -0.15 -5.02 118.68 118.36 2far s LEU 697 Ca 0.00 -0.40 -0.29 0.00 -1.03 0.00 0.00 54.13 52.41 2far s LEU 697 Cb 0.00 -1.55 -0.06 0.00 0.03 0.00 0.00 46.19 44.61 2far s LEU 697 CO 0.00 0.16 0.92 -0.60 0.23 0.00 0.00 176.35 177.05 2far s ARG 698 N 0.38 4.65 0.15 1.70 6.06 -1.26 -4.31 118.95 126.32 2far s ARG 698 Ca -0.13 1.36 0.08 0.00 -2.50 0.00 0.00 55.73 54.54 2far s ARG 698 Cb -0.16 -3.38 -0.04 0.00 0.06 0.00 0.00 34.95 31.43 2far s ARG 698 CO 0.06 0.22 -0.18 0.00 -2.50 0.00 0.00 175.30 172.90 2far s ALA 699 N 0.03 1.92 -0.15 6.12 0.00 -1.26 -4.31 121.76 124.10 2far s ALA 699 Ca 0.45 -1.42 0.01 0.00 0.00 0.00 0.00 51.96 51.00 2far s ALA 699 Cb -0.23 -0.19 0.02 0.00 0.00 0.00 0.00 23.12 22.73 2far s ALA 699 CO 0.28 0.25 -0.16 -0.06 0.00 0.00 0.00 175.76 176.07 2far s PHE 700 N -1.88 2.31 0.13 0.00 0.08 0.29 -4.94 117.98 113.97 2far s PHE 700 Ca 0.13 -1.29 -0.09 0.00 0.12 0.00 0.00 56.93 55.80 2far s PHE 700 Cb -0.06 -1.66 -0.06 0.00 -0.57 0.00 0.00 43.02 40.66 2far s PHE 700 CO 0.06 -0.68 0.43 -0.51 -0.10 0.00 0.00 175.22 174.42 2far s LEU 701 N 1.35 4.30 -0.03 -0.37 1.43 -1.26 -1.02 118.68 123.08 2far s LEU 701 Ca 0.03 0.79 -0.22 0.00 -1.03 0.00 0.00 54.13 53.71 2far s LEU 701 Cb -0.13 -3.20 0.04 0.00 0.03 0.00 0.00 46.19 42.93 2far s LEU 701 CO -0.10 0.10 0.47 -1.59 0.23 0.00 0.00 176.35 175.46 2far s LYS 702 N -2.24 0.83 0.58 1.70 -2.85 -0.61 -1.20 119.74 115.95 2far s LYS 702 Ca 0.38 0.02 -0.16 0.00 -1.00 0.00 0.00 55.97 55.21 2far s LYS 702 Cb -0.13 0.38 -0.04 0.00 -2.06 0.00 0.00 37.83 35.98 2far s LYS 702 CO 0.20 -0.24 1.05 0.95 0.10 0.00 0.00 175.35 177.41 2far s THR 703 N -1.23 3.84 -0.25 3.79 -4.23 0.23 -0.83 115.64 116.95 2far s THR 703 Ca -0.12 0.89 0.20 0.00 -1.18 0.00 0.00 61.69 61.48 2far s THR 703 Cb -0.03 -3.40 0.07 0.00 1.34 0.00 0.00 72.50 70.48 2far s THR 703 CO 0.07 -0.50 1.23 0.77 -0.54 0.00 0.00 174.62 175.64 2far h SER 704 N 0.53 0.00 0.00 3.99 4.64 -1.52 -3.02 113.55 118.16 2far h SER 704 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2far h SER 704 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2far h SER 704 CO 0.58 0.21 0.00 0.61 -0.87 0.00 0.00 176.83 177.36 2far n GLY 705 N 1.21 0.86 0.00 -0.77 0.00 -0.71 -4.24 105.19 101.54 2far n GLY 705 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2far n GLY 705 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2far n GLY 706 N -2.00 0.55 0.00 -0.02 0.00 -1.25 -4.28 105.19 98.18 2far n GLY 706 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2far n GLY 706 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2far n LYS 707 N 0.00 3.18 -0.96 1.61 5.02 -1.26 -3.88 118.16 121.87 2far n LYS 707 Ca 0.00 -0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.09 2far n LYS 707 Cb 0.00 -0.67 0.00 0.00 -0.02 0.00 0.00 35.03 34.34 2far n LYS 707 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2far n GLY 708 N 0.51 4.83 3.41 0.72 0.00 -1.26 -4.75 105.19 108.65 2far n GLY 708 Ca 0.00 -1.61 -0.29 0.00 0.00 0.00 0.00 46.02 44.11 2far n GLY 708 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2far s MET 709 N -0.44 1.62 -0.09 1.61 -1.94 -1.24 -1.82 119.30 116.99 2far s MET 709 Ca 0.00 -1.24 0.03 0.00 -1.71 0.00 0.00 55.69 52.77 2far s MET 709 Cb 0.00 -1.99 -0.01 0.00 2.01 0.00 0.00 34.83 34.84 2far s MET 709 CO 0.00 0.48 -0.19 -1.01 -0.01 0.00 0.00 175.02 174.28 2far s HIS 710 N -1.03 2.63 -0.22 -0.03 3.76 -0.01 -1.95 115.29 118.43 2far s HIS 710 Ca 0.15 -0.68 -0.02 0.00 -0.15 0.00 0.00 55.06 54.36 2far s HIS 710 Cb -0.10 -1.71 0.01 0.00 1.11 0.00 0.00 32.58 31.89 2far s HIS 710 CO 0.06 -0.19 -0.08 -0.51 -0.85 0.00 0.00 174.74 173.17 2far s LEU 711 N 0.02 2.78 -0.20 0.89 1.43 -0.17 -1.58 118.68 121.84 2far s LEU 711 Ca -0.07 -0.56 -0.06 0.00 -1.03 0.00 0.00 54.13 52.42 2far s LEU 711 Cb -0.15 -1.66 -0.03 0.00 0.03 0.00 0.00 46.19 44.38 2far s LEU 711 CO 0.05 -0.04 0.02 -0.76 0.23 0.00 0.00 176.35 175.85 2far s LEU 712 N 1.40 3.38 -0.29 1.79 1.02 -0.19 -0.77 118.68 125.03 2far s LEU 712 Ca 0.04 -0.15 0.02 0.00 0.02 0.00 0.00 54.13 54.07 2far s LEU 712 Cb -0.14 -1.86 0.07 0.00 0.02 0.00 0.00 46.19 44.27 2far s LEU 712 CO -0.06 0.07 -0.05 -0.69 0.02 0.00 0.00 176.35 175.64 2far s VAL 713 N 0.97 2.35 0.71 -1.59 1.01 -0.69 -0.54 120.40 122.61 2far s VAL 713 Ca 0.02 -1.77 -0.16 0.00 0.00 0.00 0.00 61.98 60.07 2far s VAL 713 Cb -0.14 -2.47 0.03 0.00 0.00 0.00 0.00 36.38 33.80 2far s VAL 713 CO 0.02 -0.19 1.22 -2.84 0.00 0.00 0.00 175.10 173.32 2far s PRO 714 N 1.08 2.27 -0.14 2.72 0.02 -1.26 -1.65 135.00 138.04 2far s PRO 714 Ca -0.04 1.81 -0.12 0.00 0.02 0.00 0.00 61.00 62.67 2far s PRO 714 Cb -0.20 -1.84 0.04 0.00 0.02 0.00 0.00 34.50 32.51 2far s PRO 714 CO -0.05 -1.75 0.36 -0.51 -0.33 0.00 0.00 177.00 174.72 2far s LEU 715 N -4.94 0.60 0.57 -5.54 1.43 -0.34 -4.69 118.68 105.76 2far s LEU 715 Ca 0.76 0.73 -0.20 0.00 -1.03 0.00 0.00 54.13 54.39 2far s LEU 715 Cb -0.31 1.24 -0.04 0.00 0.03 0.00 0.00 46.19 47.11 2far s LEU 715 CO 0.43 -0.13 1.21 -1.61 0.23 0.00 0.00 176.35 176.49 2far s GLU 716 N 0.23 3.09 -1.30 1.70 2.02 0.42 -4.27 118.70 120.60 2far s GLU 716 Ca -0.00 1.85 -0.18 0.00 0.02 0.00 0.00 54.97 56.66 2far s GLU 716 Cb -0.03 -2.01 0.03 0.00 0.10 0.00 0.00 34.13 32.21 2far s GLU 716 CO 0.00 -1.11 1.92 0.54 0.02 0.00 0.00 175.26 176.63 2far n ARG 717 N -1.40 2.79 0.00 1.61 1.74 -1.26 -4.31 116.66 115.83 2far n ARG 717 Ca 0.13 -2.88 0.00 0.00 -0.77 0.00 0.00 57.85 54.32 2far n ARG 717 Cb 0.49 -3.42 0.00 0.00 -1.02 0.00 0.00 32.46 28.51 2far n ARG 717 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2far n ARG 718 N 7.59 -0.30 -4.39 5.56 1.74 -1.26 -5.03 116.66 120.57 2far n ARG 718 Ca 0.49 -0.28 -0.23 0.00 -0.77 0.00 0.00 57.85 57.07 2far n ARG 718 Cb 0.44 -0.72 -0.11 0.00 -1.02 0.00 0.00 32.46 31.05 2far n ARG 718 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2far s HIS 719 N -0.04 2.01 0.75 -1.55 3.76 -1.26 -5.13 115.29 113.84 2far s HIS 719 Ca 0.00 -0.43 -0.05 0.00 -0.15 0.00 0.00 55.06 54.42 2far s HIS 719 Cb 0.00 -0.95 0.12 0.00 1.11 0.00 0.00 32.58 32.86 2far s HIS 719 CO 0.00 0.47 1.05 0.20 -0.85 0.00 0.00 174.74 175.61 2far s GLY 720 N -3.02 1.75 0.05 -2.22 0.00 -1.26 -4.17 107.32 98.45 2far s GLY 720 Ca 0.22 -1.37 -0.25 0.00 0.00 0.00 0.00 44.72 43.32 2far s GLY 720 CO 0.09 -0.82 1.57 1.49 0.00 0.00 0.00 173.10 175.43 2far h TRP 721 N -0.74 -0.10 -0.92 1.90 4.06 -1.96 -2.71 115.95 115.48 2far h TRP 721 Ca -0.41 -0.00 0.02 0.00 2.06 0.00 0.00 58.89 60.56 2far h TRP 721 Cb 1.28 0.03 -0.05 0.00 -1.00 0.00 0.00 29.16 29.42 2far h TRP 721 CO -0.22 0.08 0.61 -0.44 -3.56 0.00 0.00 178.44 174.90 2far h ASP 722 N -0.26 1.03 -0.34 -3.49 3.32 -1.95 0.02 116.42 114.74 2far h ASP 722 Ca -0.01 -0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.03 2far h ASP 722 Cb 0.22 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 2far h ASP 722 CO 0.02 0.72 0.19 -0.08 -1.72 0.00 0.00 179.24 178.37 2far h GLU 723 N 1.20 0.38 -0.41 3.56 4.81 -1.94 0.22 114.58 122.40 2far h GLU 723 Ca 0.35 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.43 2far h GLU 723 Cb -0.07 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 2far h GLU 723 CO -0.09 0.25 -0.25 0.28 -0.73 0.00 0.00 179.01 178.47 2far h VAL 724 N 0.39 1.28 -0.73 0.32 2.07 -1.11 -2.31 116.25 116.15 2far h VAL 724 Ca 0.13 -1.41 -0.02 0.00 0.82 0.00 0.00 66.70 66.22 2far h VAL 724 Cb 0.01 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 2far h VAL 724 CO -0.07 0.47 0.37 0.50 0.02 0.00 0.00 177.57 178.87 2far h LYS 725 N 0.72 1.04 -0.72 1.57 3.64 -0.64 -0.92 116.57 121.25 2far h LYS 725 Ca 0.08 -0.14 -0.05 0.00 -1.27 0.00 0.00 60.65 59.28 2far h LYS 725 Cb 0.83 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.42 2far h LYS 725 CO 0.07 0.80 0.26 -0.44 -2.27 0.00 0.00 179.45 177.87 2far h ASP 726 N 1.02 1.00 -0.37 4.20 3.32 -0.45 -0.10 116.42 125.03 2far h ASP 726 Ca 0.25 -0.16 -0.04 0.00 0.02 0.00 0.00 57.03 57.11 2far h ASP 726 Cb 0.08 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 2far h ASP 726 CO -0.04 0.91 0.09 0.15 -1.72 0.00 0.00 179.24 178.63 2far h PHE 727 N 1.05 0.63 -0.76 4.55 3.57 -0.97 0.41 116.94 125.43 2far h PHE 727 Ca 0.24 -0.08 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 2far h PHE 727 Cb 0.24 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.76 2far h PHE 727 CO 0.02 0.62 0.33 0.00 -2.23 0.00 0.00 178.31 177.06 2far h ALA 728 N 0.93 1.15 -0.36 2.41 0.00 -0.85 -1.92 119.26 120.62 2far h ALA 728 Ca 0.12 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 2far h ALA 728 Cb 0.31 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2far h ALA 728 CO 0.00 0.63 -0.18 0.37 0.00 0.00 0.00 179.25 180.07 2far h GLN 729 N 1.10 0.68 -0.31 0.00 4.15 -0.69 -2.28 115.11 117.75 2far h GLN 729 Ca 0.26 -0.24 -0.04 0.00 0.77 0.00 0.00 58.65 59.39 2far h GLN 729 Cb 0.16 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.79 2far h GLN 729 CO -0.03 0.82 0.00 0.00 -1.93 0.00 0.00 178.83 177.69 2far h ALA 730 N 1.20 1.43 -0.15 3.38 0.00 -0.25 -0.49 119.26 124.37 2far h ALA 730 Ca 0.09 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 2far h ALA 730 Cb 0.65 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2far h ALA 730 CO 0.05 0.40 -0.10 0.82 0.00 0.00 0.00 179.25 180.42 2far h ILE 731 N 0.46 1.33 -0.46 0.00 2.04 -1.00 -0.62 117.51 119.25 2far h ILE 731 Ca 0.10 -1.20 0.01 0.00 1.00 0.00 0.00 64.86 64.78 2far h ILE 731 Cb 0.30 1.79 -0.03 0.00 -0.74 0.00 0.00 36.82 38.14 2far h ILE 731 CO 0.01 0.35 0.29 -1.28 0.00 0.00 0.00 178.15 177.52 2far h SER 732 N -0.01 0.49 0.06 1.72 0.87 -1.05 -1.43 113.55 114.19 2far h SER 732 Ca 0.03 -0.01 -0.10 0.00 -1.23 0.00 0.00 61.79 60.49 2far h SER 732 Cb 0.60 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.43 2far h SER 732 CO 0.03 0.35 -0.30 1.56 -0.53 0.00 0.00 176.83 177.94 2far h GLN 733 N 0.59 0.37 -0.29 2.24 4.20 -1.06 -1.54 115.11 119.62 2far h GLN 733 Ca 0.18 -0.15 -0.04 0.00 0.06 0.00 0.00 58.65 58.70 2far h GLN 733 Cb -0.03 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 2far h GLN 733 CO -0.06 0.64 0.02 1.25 -0.67 0.00 0.00 178.83 180.00 2far h HIS 734 N 0.32 0.54 -0.59 2.96 2.76 -0.69 0.65 115.15 121.10 2far h HIS 734 Ca 0.04 -0.09 -0.05 0.00 -2.20 0.00 0.00 60.37 58.08 2far h HIS 734 Cb 0.69 -0.14 -0.03 0.00 1.55 0.00 0.00 27.41 29.48 2far h HIS 734 CO 0.02 0.63 0.19 -0.07 -1.30 0.00 0.00 177.93 177.39 2far h LEU 735 N 0.30 0.87 -0.82 0.26 3.38 -1.11 -1.62 115.31 116.57 2far h LEU 735 Ca 0.08 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.74 2far h LEU 735 Cb 0.40 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2far h LEU 735 CO 0.01 0.84 -0.24 0.00 0.09 0.00 0.00 178.44 179.15 2far h ALA 736 N 1.06 0.99 -0.38 1.53 0.00 -1.12 -0.07 119.26 121.28 2far h ALA 736 Ca 0.19 -0.36 -0.16 0.00 0.00 0.00 0.00 54.91 54.59 2far h ALA 736 Cb 0.29 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2far h ALA 736 CO -0.01 0.59 -0.38 -0.09 0.00 0.00 0.00 179.25 179.37 2far h ARG 737 N 0.54 0.91 0.09 0.00 2.43 -0.66 -1.99 114.38 115.70 2far h ARG 737 Ca 0.08 -0.47 -0.26 0.00 -0.81 0.00 0.00 59.98 58.52 2far h ARG 737 Cb 0.70 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 2far h ARG 737 CO 0.05 1.12 -1.16 -0.07 -1.51 0.00 0.00 179.97 178.41 2far h LEU 738 N 0.74 0.43 -5.98 3.80 3.38 -1.17 -3.39 115.31 113.12 2far h LEU 738 Ca 0.06 -0.43 -0.56 0.00 0.09 0.00 0.00 57.88 57.05 2far h LEU 738 Cb 0.96 -0.14 -0.40 0.00 0.09 0.00 0.00 40.66 41.17 2far h LEU 738 CO 0.09 1.30 -0.97 0.23 0.09 0.00 0.00 178.44 179.19 2far n MET 739 N -3.58 1.40 0.17 1.13 2.81 -0.05 -4.96 117.12 114.04 2far n MET 739 Ca -0.08 -3.73 0.13 0.00 -1.81 0.00 0.00 57.70 52.21 2far n MET 739 Cb 0.97 -1.64 0.68 0.00 -0.71 0.00 0.00 33.22 32.53 2far n MET 739 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 2far h PRO 740 N 3.76 0.00 0.00 0.03 0.13 -1.56 0.97 132.00 135.33 2far h PRO 740 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 2far h PRO 740 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 2far h PRO 740 CO 0.59 0.00 0.00 1.05 -0.23 0.00 0.00 178.00 179.41 2far h GLU 741 N 0.00 0.00 0.00 0.86 9.09 -1.93 -3.30 114.58 119.30 2far h GLU 741 Ca 0.09 0.00 -0.28 0.00 0.05 0.00 0.00 59.36 59.22 2far h GLU 741 Cb 0.38 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 27.43 2far h GLU 741 CO -0.00 0.00 -2.06 0.54 0.05 0.00 0.00 179.01 177.54 2far n ARG 742 N -3.07 0.73 -4.38 1.06 1.74 -0.48 -4.71 116.66 107.54 2far n ARG 742 Ca 0.01 0.08 -0.27 0.00 -0.77 0.00 0.00 57.85 56.91 2far n ARG 742 Cb 0.33 -1.38 -0.11 0.00 -1.02 0.00 0.00 32.46 30.29 2far n ARG 742 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2far s PHE 743 N -2.37 2.42 0.02 -1.55 0.08 0.22 -1.28 117.98 115.51 2far s PHE 743 Ca -0.21 -0.31 0.02 0.00 0.12 0.00 0.00 56.93 56.55 2far s PHE 743 Cb 0.06 -1.19 -0.01 0.00 -0.57 0.00 0.00 43.02 41.30 2far s PHE 743 CO 0.47 0.51 -0.07 0.45 -0.10 0.00 0.00 175.22 176.48 2far s SER 744 N -2.74 0.84 0.00 1.36 0.15 0.04 -4.42 113.70 108.93 2far s SER 744 Ca 0.22 -0.30 0.09 0.00 0.70 0.00 0.00 55.95 56.66 2far s SER 744 Cb -0.08 -0.04 0.24 0.00 -1.71 0.00 0.00 66.02 64.43 2far s SER 744 CO 0.12 -0.03 1.16 0.00 1.20 0.00 0.00 173.24 175.69 2far n ALA 745 N 2.29 2.20 -3.06 5.45 0.00 -1.26 -2.54 120.51 123.59 2far n ALA 745 Ca -0.17 -1.05 -0.33 0.00 0.00 0.00 0.00 53.44 51.89 2far n ALA 745 Cb 0.56 -0.37 -0.13 0.00 0.00 0.00 0.00 19.45 19.51 2far n ALA 745 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2far s VAL 746 N -0.97 3.48 0.92 0.00 1.01 -1.26 -4.89 120.40 118.69 2far s VAL 746 Ca 0.19 -0.50 -0.11 0.00 0.00 0.00 0.00 61.98 61.56 2far s VAL 746 Cb 0.10 -2.51 0.14 0.00 0.00 0.00 0.00 36.38 34.11 2far s VAL 746 CO 0.13 0.50 1.09 -0.94 0.00 0.00 0.00 175.10 175.89 2far s SER 747 N 0.48 3.15 0.00 3.32 1.04 -1.26 -4.68 113.70 115.74 2far s SER 747 Ca -0.06 1.71 0.00 0.00 0.48 0.00 0.00 55.95 58.08 2far s SER 747 Cb -0.15 -2.34 0.00 0.00 0.10 0.00 0.00 66.02 63.63 2far s SER 747 CO 0.03 -2.88 0.00 0.61 0.98 0.00 0.00 173.24 171.99 2far n GLY 748 N -0.55 1.32 0.33 7.32 0.00 -1.26 -4.51 105.19 107.84 2far n GLY 748 Ca 0.08 -1.34 0.17 0.00 0.00 0.00 0.00 46.02 44.92 2far n GLY 748 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2far h PRO 749 N 0.00 0.00 0.00 1.61 0.13 -1.97 0.24 132.00 132.02 2far h PRO 749 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2far h PRO 749 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2far h PRO 749 CO 0.00 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.31 2far n ARG 750 N -3.84 0.20 -0.19 0.86 1.74 -1.26 -2.42 116.66 111.74 2far n ARG 750 Ca 0.01 0.12 0.06 0.00 -0.77 0.00 0.00 57.85 57.27 2far n ARG 750 Cb 0.29 -1.50 0.14 0.00 -1.02 0.00 0.00 32.46 30.37 2far n ARG 750 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2far n ASN 751 N -1.35 2.87 -1.40 0.55 4.13 0.85 -4.60 115.26 116.32 2far n ASN 751 Ca 0.08 -2.39 0.02 0.00 1.68 0.00 0.00 54.58 53.97 2far n ASN 751 Cb 0.17 -0.28 0.01 0.00 -1.54 0.00 0.00 39.78 38.14 2far n ASN 751 CO 0.00 0.00 0.00 -2.11 0.28 0.00 0.00 177.26 175.43 2far n ARG 752 N -0.23 0.00 -1.69 3.52 1.85 -1.02 -4.74 116.66 114.36 2far n ARG 752 Ca 0.12 -1.82 -0.42 0.00 -1.00 0.00 0.00 57.85 54.72 2far n ARG 752 Cb 0.53 0.05 -0.03 0.00 -1.05 0.00 0.00 32.46 31.96 2far n ARG 752 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2far s VAL 753 N 0.00 3.03 -0.30 8.89 1.01 -1.22 -1.23 120.40 130.58 2far s VAL 753 Ca 0.28 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.32 2far s VAL 753 Cb 0.32 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.67 2far s VAL 753 CO -0.14 -0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.56 2far n GLY 754 N 4.51 0.57 0.00 4.51 0.00 -1.26 -4.97 105.19 108.55 2far n GLY 754 Ca 0.20 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2far n GLY 754 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2far n LYS 755 N -2.12 0.00 -4.93 1.61 2.85 -0.36 -4.91 118.16 110.30 2far n LYS 755 Ca -0.03 0.00 -0.28 0.00 -1.05 0.00 0.00 58.31 56.96 2far n LYS 755 Cb 0.19 0.00 -0.16 0.00 -0.65 0.00 0.00 35.03 34.41 2far n LYS 755 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 2far s ILE 756 N -1.97 1.58 -0.23 0.58 1.01 -0.41 -1.95 121.20 119.82 2far s ILE 756 Ca 0.00 -0.79 -0.13 0.00 0.00 0.00 0.00 60.65 59.73 2far s ILE 756 Cb 0.00 -1.36 -0.04 0.00 0.01 0.00 0.00 42.46 41.06 2far s ILE 756 CO 0.00 0.45 0.27 0.12 0.00 0.00 0.00 174.94 175.78 2far s PHE 757 N 0.09 3.33 -0.84 3.97 5.36 0.11 -0.78 117.98 129.22 2far s PHE 757 Ca -0.06 0.39 -0.21 0.00 -0.96 0.00 0.00 56.93 56.08 2far s PHE 757 Cb -0.13 -2.40 0.09 0.00 -0.34 0.00 0.00 43.02 40.25 2far s PHE 757 CO 0.03 0.01 1.13 0.08 -1.46 0.00 0.00 175.22 175.01 2far s VAL 758 N 1.25 4.41 -0.10 3.12 1.01 -1.05 -0.64 120.40 128.40 2far s VAL 758 Ca 0.13 -0.93 -0.30 0.00 0.00 0.00 0.00 61.98 60.88 2far s VAL 758 Cb -0.14 -4.80 -0.04 0.00 0.00 0.00 0.00 36.38 31.40 2far s VAL 758 CO 0.06 -1.58 1.45 -0.62 0.00 0.00 0.00 175.10 174.41 2far s ASP 759 N 3.87 6.82 0.00 3.32 -1.08 0.18 -4.79 116.67 124.99 2far s ASP 759 Ca 0.31 1.97 0.07 0.00 -0.52 0.00 0.00 52.55 54.38 2far s ASP 759 Cb -0.08 -2.54 0.05 0.00 -1.46 0.00 0.00 42.92 38.89 2far s ASP 759 CO -0.02 -0.83 0.71 0.00 0.52 0.00 0.00 175.17 175.56 2far n TYR 760 N 6.69 0.00 0.28 -5.34 0.18 -1.26 -1.75 117.16 115.96 2far n TYR 760 Ca 0.15 0.00 0.15 0.00 1.88 0.00 0.00 57.90 60.08 2far n TYR 760 Cb 0.44 0.00 0.79 0.00 -0.38 0.00 0.00 39.34 40.19 2far n TYR 760 CO 0.00 0.00 0.00 -0.07 -2.08 0.00 0.00 176.86 174.71 2far h LEU 761 N 1.30 0.00 0.00 -3.48 3.38 -1.89 -2.85 115.31 111.77 2far h LEU 761 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2far h LEU 761 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2far h LEU 761 CO 0.00 0.08 0.00 0.54 0.09 0.00 0.00 178.44 179.15 2far n ARG 762 N -3.46 0.75 -2.51 1.13 1.74 -1.26 -4.24 116.66 108.80 2far n ARG 762 Ca -0.02 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.65 2far n ARG 762 Cb 0.23 -1.42 0.01 0.00 -1.02 0.00 0.00 32.46 30.25 2far n ARG 762 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2far n ASN 763 N -0.92 7.36 -3.95 0.55 3.02 -1.08 -4.34 115.26 115.90 2far n ASN 763 Ca 0.15 -3.51 -0.09 0.00 -0.03 0.00 0.00 54.58 51.10 2far n ASN 763 Cb 0.07 -1.24 -0.09 0.00 -0.61 0.00 0.00 39.78 37.91 2far n ASN 763 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2far s SER 764 N -0.91 0.21 0.21 6.41 1.04 -1.26 -4.26 113.70 115.15 2far s SER 764 Ca 0.42 -0.59 -0.32 0.00 0.48 0.00 0.00 55.95 55.94 2far s SER 764 Cb 0.17 0.22 -0.13 0.00 0.10 0.00 0.00 66.02 66.38 2far s SER 764 CO -0.09 -0.51 1.61 -1.14 0.98 0.00 0.00 173.24 174.09 2far n ARG 765 N 0.72 2.47 0.00 4.02 0.63 -1.26 -1.58 116.66 121.66 2far n ARG 765 Ca -0.19 0.89 0.00 0.00 -0.92 0.00 0.00 57.85 57.63 2far n ARG 765 Cb 0.59 -2.67 0.00 0.00 0.45 0.00 0.00 32.46 30.82 2far n ARG 765 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2far n GLY 766 N 3.25 3.29 3.90 5.14 0.00 -1.26 -5.04 105.19 114.47 2far n GLY 766 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 2far n GLY 766 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2far s ALA 767 N -2.32 2.85 0.25 4.61 0.00 -0.61 -5.00 121.76 121.53 2far s ALA 767 Ca 0.00 -0.65 -0.18 0.00 0.00 0.00 0.00 51.96 51.14 2far s ALA 767 Cb 0.00 -2.88 0.02 0.00 0.00 0.00 0.00 23.12 20.26 2far s ALA 767 CO 0.00 -1.43 0.60 -1.54 0.00 0.00 0.00 175.76 173.39 2far s SER 768 N -4.50 -0.22 0.02 0.00 1.04 -1.26 -4.25 113.70 104.52 2far s SER 768 Ca 0.60 -0.65 0.03 0.00 0.48 0.00 0.00 55.95 56.41 2far s SER 768 Cb -0.11 0.65 -0.01 0.00 0.10 0.00 0.00 66.02 66.65 2far s SER 768 CO 0.48 -1.21 -0.09 -0.89 0.98 0.00 0.00 173.24 172.52 2far s THR 769 N -3.93 0.66 0.21 2.02 2.01 -0.80 -4.89 115.64 110.92 2far s THR 769 Ca 0.14 -0.70 -0.32 0.00 0.31 0.00 0.00 61.69 61.12 2far s THR 769 Cb -0.03 -0.62 -0.15 0.00 0.01 0.00 0.00 72.50 71.71 2far s THR 769 CO 0.05 -0.05 1.23 0.55 -0.69 0.00 0.00 174.62 175.71 2far n VAL 770 N 2.23 1.06 -2.51 3.82 3.14 -1.26 -1.42 118.33 123.38 2far n VAL 770 Ca -0.17 -0.26 -0.34 0.00 -2.96 0.00 0.00 64.34 60.60 2far n VAL 770 Cb 0.56 -1.09 -0.03 0.00 -1.06 0.00 0.00 33.84 32.22 2far n VAL 770 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2far s ALA 771 N -0.26 2.85 0.35 1.55 0.00 0.20 -4.80 121.76 121.66 2far s ALA 771 Ca 0.69 0.63 -0.29 0.00 0.00 0.00 0.00 51.96 53.00 2far s ALA 771 Cb -0.76 -3.27 -0.11 0.00 0.00 0.00 0.00 23.12 18.99 2far s ALA 771 CO 0.52 -0.36 1.50 0.00 0.00 0.00 0.00 175.76 177.43 2far s ALA 772 N -1.95 3.61 0.00 0.00 0.00 -1.26 -1.95 121.76 120.21 2far s ALA 772 Ca 0.68 1.56 0.00 0.00 0.00 0.00 0.00 51.96 54.20 2far s ALA 772 Cb -0.17 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.33 2far s ALA 772 CO 0.21 -1.02 0.00 0.66 0.00 0.00 0.00 175.76 175.61 2far n TYR 773 N 0.90 0.00 -3.15 0.00 4.01 0.18 -4.52 117.16 114.58 2far n TYR 773 Ca 0.03 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.45 2far n TYR 773 Cb 0.39 -0.33 -0.05 0.00 -0.31 0.00 0.00 39.34 39.04 2far n TYR 773 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 2far s SER 774 N -2.37 6.66 0.39 7.72 1.04 -0.82 -4.78 113.70 121.55 2far s SER 774 Ca 0.00 1.12 -0.17 0.00 0.48 0.00 0.00 55.95 57.38 2far s SER 774 Cb 0.00 -2.31 -0.09 0.00 0.10 0.00 0.00 66.02 63.72 2far s SER 774 CO 0.00 -0.22 0.84 -0.69 0.98 0.00 0.00 173.24 174.16 2far s VAL 775 N -2.04 4.58 -0.08 5.02 1.01 -1.26 -1.61 120.40 126.02 2far s VAL 775 Ca 0.51 1.12 -0.02 0.00 0.00 0.00 0.00 61.98 63.60 2far s VAL 775 Cb -0.10 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 2far s VAL 775 CO 0.22 -0.34 0.01 -0.13 0.00 0.00 0.00 175.10 174.86 2far s ARG 776 N -3.30 2.98 -1.52 2.72 1.81 0.09 -4.09 118.95 117.63 2far s ARG 776 Ca 0.57 -0.42 -0.12 0.00 -1.72 0.00 0.00 55.73 54.03 2far s ARG 776 Cb -0.10 -2.79 -0.01 0.00 -0.45 0.00 0.00 34.95 31.60 2far s ARG 776 CO 0.19 0.70 2.51 0.00 -0.68 0.00 0.00 175.30 178.02 2far n ALA 777 N 2.03 6.32 -2.13 2.13 0.00 -1.26 -4.18 120.51 123.41 2far n ALA 777 Ca -0.18 -3.74 -0.09 0.00 0.00 0.00 0.00 53.44 49.43 2far n ALA 777 Cb 0.54 -3.48 -0.10 0.00 0.00 0.00 0.00 19.45 16.41 2far n ALA 777 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2far s ARG 778 N 2.82 0.83 0.13 0.00 0.52 -1.26 -4.87 118.95 117.12 2far s ARG 778 Ca 0.56 -1.38 -0.35 0.00 -0.52 0.00 0.00 55.73 54.04 2far s ARG 778 Cb 0.16 0.23 -0.16 0.00 0.52 0.00 0.00 34.95 35.69 2far s ARG 778 CO -0.08 -0.21 1.33 -1.91 0.02 0.00 0.00 175.30 174.45 2far n GLU 779 N -0.03 1.36 -0.07 3.54 2.13 -1.26 -0.60 120.64 125.70 2far n GLU 779 Ca -0.08 0.49 0.00 0.00 0.66 0.00 0.00 57.16 58.23 2far n GLU 779 Cb 0.63 -2.11 0.00 0.00 0.27 0.00 0.00 31.44 30.23 2far n GLU 779 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2far n GLY 780 N 2.49 1.88 3.67 8.31 0.00 -1.26 -4.34 105.19 115.94 2far n GLY 780 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 2far n GLY 780 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2far n LEU 781 N 0.00 -2.91 -4.75 0.99 4.77 0.23 -4.30 117.00 111.03 2far n LEU 781 Ca 0.00 -1.01 -0.31 0.00 -0.03 0.00 0.00 56.01 54.66 2far n LEU 781 Cb 0.00 -2.41 0.11 0.00 -2.33 0.00 0.00 43.42 38.79 2far n LEU 781 CO 0.00 0.46 0.70 -2.16 -1.33 0.00 0.00 177.39 175.06 2far s PRO 782 N -5.94 1.97 0.09 3.23 0.04 -1.26 -1.20 135.00 131.93 2far s PRO 782 Ca 0.47 1.25 0.10 0.00 0.04 0.00 0.00 61.00 62.87 2far s PRO 782 Cb -0.17 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.48 2far s PRO 782 CO 0.86 -1.87 -0.26 0.08 0.04 0.00 0.00 177.00 175.85 2far s VAL 783 N -2.85 2.14 -0.44 -0.36 1.01 -0.15 -0.74 120.40 119.02 2far s VAL 783 Ca 0.62 -1.58 -0.28 0.00 0.00 0.00 0.00 61.98 60.74 2far s VAL 783 Cb -0.18 -1.87 0.03 0.00 0.00 0.00 0.00 36.38 34.35 2far s VAL 783 CO 0.56 0.18 1.09 -0.55 0.00 0.00 0.00 175.10 176.39 2far s SER 784 N -1.71 6.69 -0.14 3.32 0.15 -0.64 -4.16 113.70 117.21 2far s SER 784 Ca 0.12 0.57 -0.00 0.00 0.70 0.00 0.00 55.95 57.34 2far s SER 784 Cb -0.10 -2.53 -0.01 0.00 -1.71 0.00 0.00 66.02 61.67 2far s SER 784 CO 0.04 -1.13 -0.13 -0.69 1.20 0.00 0.00 173.24 172.53 2far s VAL 785 N 4.15 2.98 0.26 4.45 1.01 -1.14 0.50 120.40 132.62 2far s VAL 785 Ca 0.46 -0.68 -0.30 0.00 0.00 0.00 0.00 61.98 61.46 2far s VAL 785 Cb -0.09 -2.26 -0.10 0.00 0.00 0.00 0.00 36.38 33.94 2far s VAL 785 CO 0.27 0.52 1.34 -2.84 0.00 0.00 0.00 175.10 174.39 2far s PRO 786 N 0.53 4.35 0.07 2.72 0.02 -1.26 -0.60 135.00 140.82 2far s PRO 786 Ca -0.09 2.18 0.04 0.00 0.02 0.00 0.00 61.00 63.15 2far s PRO 786 Cb -0.16 -3.12 -0.03 0.00 0.02 0.00 0.00 34.50 31.21 2far s PRO 786 CO 0.04 -0.27 -0.11 0.14 -0.33 0.00 0.00 177.00 176.47 2far s VAL 787 N -0.39 0.89 0.40 3.83 -7.23 -0.34 -4.83 120.40 112.73 2far s VAL 787 Ca 0.54 -1.32 -0.24 0.00 -1.81 0.00 0.00 61.98 59.15 2far s VAL 787 Cb -0.39 -1.00 -0.09 0.00 0.56 0.00 0.00 36.38 35.46 2far s VAL 787 CO 0.45 -0.36 1.07 -0.36 -0.31 0.00 0.00 175.10 175.59 2far s PHE 788 N -1.61 3.21 0.51 2.82 0.08 -1.26 -4.32 117.98 117.41 2far s PHE 788 Ca -0.03 1.63 0.17 0.00 0.12 0.00 0.00 56.93 58.82 2far s PHE 788 Cb -0.08 -3.18 1.28 0.00 -0.57 0.00 0.00 43.02 40.47 2far s PHE 788 CO 0.01 -0.77 2.13 -0.09 -0.10 0.00 0.00 175.22 176.40 2far h ARG 789 N 2.47 0.00 0.00 0.44 2.43 -1.95 -2.05 114.38 115.72 2far h ARG 789 Ca -0.48 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 2far h ARG 789 Cb 1.22 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 2far h ARG 789 CO 0.62 0.04 0.00 0.93 -1.51 0.00 0.00 179.97 180.05 2far h GLU 790 N 0.00 0.00 -0.13 0.20 3.07 -2.03 -2.95 114.58 112.74 2far h GLU 790 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2far h GLU 790 Cb 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.98 2far h GLU 790 CO 0.00 0.00 0.00 -0.85 -1.40 0.00 0.00 179.01 176.76 2far n GLU 791 N -2.82 1.95 -0.07 2.33 0.28 -0.78 -4.61 120.64 116.93 2far n GLU 791 Ca 0.01 -1.83 -0.07 0.00 -0.16 0.00 0.00 57.16 55.11 2far n GLU 791 Cb 0.31 -1.40 -0.01 0.00 1.43 0.00 0.00 31.44 31.77 2far n GLU 791 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 2far h LEU 792 N 3.87 -0.53 0.00 -1.84 5.85 -1.47 -1.20 115.31 119.99 2far h LEU 792 Ca 0.00 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.84 2far h LEU 792 Cb 0.85 0.28 0.00 0.00 0.37 0.00 0.00 40.66 42.16 2far h LEU 792 CO 0.00 -0.20 0.00 0.47 -0.34 0.00 0.00 178.44 178.37 2far n ASP 793 N -5.33 0.00 0.01 1.25 8.00 -1.26 -1.82 116.55 117.40 2far n ASP 793 Ca -0.00 0.42 0.11 0.00 0.71 0.00 0.00 54.79 56.03 2far n ASP 793 Cb 0.24 -0.45 0.01 0.00 -0.02 0.00 0.00 41.12 40.90 2far n ASP 793 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2far n SER 794 N -1.45 0.65 -4.77 -2.24 3.41 -0.47 -4.94 113.62 103.81 2far n SER 794 Ca 0.03 -0.39 -0.40 0.00 -0.26 0.00 0.00 58.87 57.85 2far n SER 794 Cb 0.11 0.82 -0.00 0.00 -0.26 0.00 0.00 64.21 64.88 2far n SER 794 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2far s LEU 795 N -3.60 4.20 -0.02 1.04 1.43 -0.76 -4.95 118.68 116.03 2far s LEU 795 Ca 0.05 2.71 0.14 0.00 -1.03 0.00 0.00 54.13 56.00 2far s LEU 795 Cb 0.15 -3.91 -0.21 0.00 0.03 0.00 0.00 46.19 42.25 2far s LEU 795 CO 0.81 -0.91 0.37 0.00 0.23 0.00 0.00 176.35 176.84 2far n GLN 796 N 0.07 0.78 -3.55 1.70 6.02 -1.26 -5.04 117.38 116.10 2far n GLN 796 Ca 0.04 -0.11 -0.06 0.00 -0.01 0.00 0.00 57.00 56.86 2far n GLN 796 Cb 0.43 -1.31 -0.02 0.00 1.02 0.00 0.00 30.24 30.36 2far n GLN 796 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 2far s GLY 797 N -3.42 -0.38 0.46 1.08 0.00 -1.26 -4.98 107.32 98.82 2far s GLY 797 Ca -0.03 1.23 0.29 0.00 0.00 0.00 0.00 44.72 46.21 2far s GLY 797 CO 0.60 0.40 1.84 0.00 0.00 0.00 0.00 173.10 175.94 2far h ALA 798 N 2.00 1.00 -0.29 3.20 0.00 -1.86 -2.96 119.26 120.36 2far h ALA 798 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2far h ALA 798 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2far h ALA 798 CO 0.27 0.00 0.00 0.27 0.00 0.00 0.00 179.25 179.79 2far n ASN 799 N -2.92 4.02 0.32 0.00 6.94 -1.25 -1.75 115.26 120.62 2far n ASN 799 Ca 0.02 -2.98 0.21 0.00 -0.02 0.00 0.00 54.58 51.81 2far n ASN 799 Cb 0.36 -0.55 1.11 0.00 -2.36 0.00 0.00 39.78 38.34 2far n ASN 799 CO 0.00 0.00 0.00 0.06 -1.03 0.00 0.00 177.26 176.29 2far h GLN 800 N 2.00 0.00 -6.16 -3.83 3.07 -1.88 -3.41 115.11 104.91 2far h GLN 800 Ca 0.00 0.00 -0.68 0.00 0.09 0.00 0.00 58.65 58.06 2far h GLN 800 Cb 1.47 0.00 -0.18 0.00 0.08 0.00 0.00 27.48 28.85 2far h GLN 800 CO 0.24 0.00 -0.69 -1.58 0.09 0.00 0.00 178.83 176.89 2far s TRP 801 N -4.04 2.94 0.41 0.06 0.51 -1.26 -5.05 118.94 112.52 2far s TRP 801 Ca -0.04 0.02 0.05 0.00 -2.12 0.00 0.00 56.10 54.01 2far s TRP 801 Cb 0.12 -1.70 -0.02 0.00 -0.81 0.00 0.00 33.47 31.07 2far s TRP 801 CO 0.41 0.35 0.17 0.27 -0.51 0.00 0.00 176.95 177.64 2far n ASN 802 N 2.09 0.95 -0.29 2.95 0.23 -1.26 -0.98 115.26 118.95 2far n ASN 802 Ca -0.17 -3.26 0.17 0.00 -0.53 0.00 0.00 54.58 50.78 2far n ASN 802 Cb 0.53 1.17 0.45 0.00 -2.08 0.00 0.00 39.78 39.85 2far n ASN 802 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 2far h LEU 803 N 0.00 0.54 0.00 -4.53 6.46 -1.34 -1.81 115.31 114.63 2far h LEU 803 Ca -0.32 0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.50 2far h LEU 803 Cb 1.26 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 41.16 2far h LEU 803 CO 0.50 0.20 -0.68 0.54 -0.62 0.00 0.00 178.44 178.38 2far n ARG 804 N -4.60 0.02 0.00 1.25 1.74 -1.26 -4.05 116.66 109.77 2far n ARG 804 Ca 0.21 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.40 2far n ARG 804 Cb 0.67 -1.51 -0.00 0.00 -1.02 0.00 0.00 32.46 30.60 2far n ARG 804 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2far n SER 805 N -1.54 1.44 -0.28 0.55 3.41 -0.72 -4.39 113.62 112.11 2far n SER 805 Ca 0.05 -1.18 -0.01 0.00 -0.26 0.00 0.00 58.87 57.47 2far n SER 805 Cb 0.34 0.65 0.18 0.00 -0.26 0.00 0.00 64.21 65.12 2far n SER 805 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2far h LEU 806 N 1.22 0.98 -1.07 1.04 5.85 -1.61 -2.53 115.31 119.18 2far h LEU 806 Ca 0.00 -0.04 0.08 0.00 0.84 0.00 0.00 57.88 58.76 2far h LEU 806 Cb 0.62 -0.25 -0.07 0.00 0.37 0.00 0.00 40.66 41.33 2far h LEU 806 CO 0.00 0.73 0.62 -0.65 -0.34 0.00 0.00 178.44 178.81 2far h PRO 807 N 1.14 1.04 -0.23 5.25 0.11 -1.85 -1.25 132.00 136.22 2far h PRO 807 Ca 0.30 -0.06 -0.16 0.00 0.11 0.00 0.00 66.00 66.19 2far h PRO 807 Cb -0.09 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 30.78 2far h PRO 807 CO -0.06 0.69 -0.50 0.37 -0.21 0.00 0.00 178.00 178.29 2far h GLN 808 N 1.07 0.63 -0.45 1.05 4.15 -1.75 -1.84 115.11 117.95 2far h GLN 808 Ca 0.43 -0.37 -0.00 0.00 0.77 0.00 0.00 58.65 59.48 2far h GLN 808 Cb 0.27 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.97 2far h GLN 808 CO -0.18 0.98 0.27 -0.09 -1.93 0.00 0.00 178.83 177.88 2far h ARG 809 N 0.49 0.61 -0.42 1.69 9.65 -0.99 -0.41 114.38 124.99 2far h ARG 809 Ca 0.02 -0.05 -0.07 0.00 -1.10 0.00 0.00 59.98 58.77 2far h ARG 809 Cb 1.04 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 29.47 2far h ARG 809 CO 0.10 0.45 -0.03 -0.07 2.80 0.00 0.00 179.97 183.21 2far h LEU 810 N 0.60 0.68 -0.60 3.80 3.38 -1.13 -1.38 115.31 120.66 2far h LEU 810 Ca 0.16 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 2far h LEU 810 Cb -0.01 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 2far h LEU 810 CO -0.03 0.77 0.07 0.44 0.09 0.00 0.00 178.44 179.78 2far h ASP 811 N 0.66 0.97 0.47 -0.43 3.32 -0.85 -2.11 116.42 118.44 2far h ASP 811 Ca 0.13 -0.27 -0.10 0.00 0.02 0.00 0.00 57.03 56.80 2far h ASP 811 Cb 0.46 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 2far h ASP 811 CO 0.02 1.00 -0.48 -0.33 -1.72 0.00 0.00 179.24 177.74 2far h GLU 812 N 0.91 0.01 0.00 3.56 5.08 -0.75 -2.75 114.58 120.65 2far h GLU 812 Ca 0.18 -0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.40 2far h GLU 812 Cb 0.46 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 2far h GLU 812 CO 0.02 0.49 -0.62 -0.07 -1.00 0.00 0.00 179.01 177.83 2far h LEU 813 N 0.01 0.00 -3.47 1.33 3.38 -1.02 -3.48 115.31 112.06 2far h LEU 813 Ca -0.00 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.38 2far h LEU 813 Cb 0.85 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.55 2far h LEU 813 CO 0.06 0.62 -1.00 0.00 0.09 0.00 0.00 178.44 178.21 2far n ALA 814 N -2.36 -2.48 0.00 1.53 0.00 -0.82 -1.05 120.51 115.34 2far n ALA 814 Ca -0.00 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.91 2far n ALA 814 Cb 0.66 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.74 2far n ALA 814 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2far n GLY 815 N -2.15 3.20 3.74 0.00 0.00 -1.26 -5.04 105.19 103.67 2far n GLY 815 Ca -0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 2far n GLY 815 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2far s ASP 816 N -0.46 7.07 -0.21 1.61 1.01 -0.21 -5.03 116.67 120.46 2far s ASP 816 Ca 0.00 2.27 0.01 0.00 0.71 0.00 0.00 52.55 55.54 2far s ASP 816 Cb 0.00 -2.61 0.03 0.00 1.01 0.00 0.00 42.92 41.35 2far s ASP 816 CO 0.00 -0.37 -0.16 -0.62 0.21 0.00 0.00 175.17 174.23 2far s ASP 817 N 0.04 3.61 0.42 0.27 2.15 -1.26 -4.85 116.67 117.06 2far s ASP 817 Ca 0.52 -0.89 0.13 0.00 0.43 0.00 0.00 52.55 52.74 2far s ASP 817 Cb -0.33 -1.51 1.00 0.00 -0.30 0.00 0.00 42.92 41.78 2far s ASP 817 CO 0.38 -0.07 1.95 -0.65 -0.17 0.00 0.00 175.17 176.61 2far h PRO 818 N 7.89 0.44 -0.60 4.34 0.11 -1.92 -1.51 132.00 140.76 2far h PRO 818 Ca -0.37 -0.03 -0.21 0.00 0.11 0.00 0.00 66.00 65.50 2far h PRO 818 Cb 1.11 -0.10 -0.13 0.00 0.11 0.00 0.00 31.00 31.99 2far h PRO 818 CO 0.58 0.29 0.20 0.91 -0.21 0.00 0.00 178.00 179.77 2far n TRP 819 N -4.48 1.95 -0.32 0.65 7.02 -1.26 -4.68 117.44 116.32 2far n TRP 819 Ca 0.12 -1.34 0.15 0.00 -1.02 0.00 0.00 57.50 55.41 2far n TRP 819 Cb 0.41 -0.61 0.37 0.00 -2.42 0.00 0.00 31.31 29.06 2far n TRP 819 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2far h ALA 820 N 1.87 1.83 -0.07 6.99 0.00 -1.69 -1.24 119.26 126.94 2far h ALA 820 Ca 0.26 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2far h ALA 820 Cb 2.10 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.81 2far h ALA 820 CO 0.62 -0.17 0.00 -0.25 0.00 0.00 0.00 179.25 179.45 2far n ASP 821 N -4.68 0.99 0.31 0.00 8.00 -1.26 -4.43 116.55 115.49 2far n ASP 821 Ca 0.22 -1.50 -0.14 0.00 0.71 0.00 0.00 54.79 54.08 2far n ASP 821 Cb 0.60 -0.04 -0.07 0.00 -0.02 0.00 0.00 41.12 41.59 2far n ASP 821 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 2far h TYR 822 N 1.39 -0.93 -1.00 1.24 3.20 -1.58 -2.72 116.97 116.58 2far h TYR 822 Ca 0.00 -0.01 0.21 0.00 3.14 0.00 0.00 58.73 62.07 2far h TYR 822 Cb 0.30 0.33 -0.10 0.00 1.54 0.00 0.00 36.73 38.80 2far h TYR 822 CO 0.04 -0.52 0.62 0.00 -1.64 0.00 0.00 178.16 176.66 2far h ALA 823 N -1.40 1.81 -0.00 1.82 0.00 -1.79 -1.53 119.26 118.16 2far h ALA 823 Ca -0.08 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2far h ALA 823 Cb 0.69 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2far h ALA 823 CO 0.08 -0.19 -0.12 0.41 0.00 0.00 0.00 179.25 179.43 2far n GLY 824 N -1.37 -0.87 3.69 0.00 0.00 -1.21 -4.88 105.19 100.56 2far n GLY 824 Ca 0.23 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 2far n GLY 824 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2far s THR 825 N -2.45 3.42 -0.27 2.61 2.01 -0.58 -4.99 115.64 115.39 2far s THR 825 Ca 0.29 0.85 0.01 0.00 0.31 0.00 0.00 61.69 63.15 2far s THR 825 Cb 0.20 -3.55 0.08 0.00 0.01 0.00 0.00 72.50 69.24 2far s THR 825 CO 0.47 0.00 0.02 -0.13 -0.69 0.00 0.00 174.62 174.30 2far s ARG 826 N 2.36 1.24 0.08 4.92 1.81 -1.26 -4.87 118.95 123.23 2far s ARG 826 Ca 0.68 -1.14 -0.10 0.00 -1.72 0.00 0.00 55.73 53.45 2far s ARG 826 Cb -0.35 -2.50 0.00 0.00 -0.45 0.00 0.00 34.95 31.66 2far s ARG 826 CO 0.29 -0.78 0.21 1.14 -0.68 0.00 0.00 175.30 175.48 2far s GLN 827 N 1.40 0.84 0.16 3.54 -2.07 -1.26 -5.01 119.66 117.26 2far s GLN 827 Ca 0.02 -0.87 -0.06 0.00 -1.82 0.00 0.00 55.36 52.64 2far s GLN 827 Cb -0.18 0.35 -0.02 0.00 -1.09 0.00 0.00 33.01 32.06 2far s GLN 827 CO -0.12 -0.27 0.22 -0.98 -1.32 0.00 0.00 175.29 172.82 2far s ARG 828 N -3.60 1.12 -0.08 9.60 1.70 -1.26 -0.44 118.95 125.98 2far s ARG 828 Ca 0.03 -1.29 -0.30 0.00 -0.47 0.00 0.00 55.73 53.70 2far s ARG 828 Cb 0.03 0.34 -0.02 0.00 -0.57 0.00 0.00 34.95 34.73 2far s ARG 828 CO -0.10 -0.39 1.06 0.42 -1.08 0.00 0.00 175.30 175.21 2far s ILE 829 N -4.01 4.64 0.38 4.99 1.01 -1.26 -5.03 121.20 121.92 2far s ILE 829 Ca 0.21 1.92 0.08 0.00 0.00 0.00 0.00 60.65 62.86 2far s ILE 829 Cb 0.05 -4.24 -0.03 0.00 0.01 0.00 0.00 42.46 38.25 2far s ILE 829 CO 0.02 0.02 0.29 -0.94 0.00 0.00 0.00 174.94 174.33 2far s SER 830 N 1.18 4.97 0.30 3.58 1.04 -1.26 -5.01 113.70 118.50 2far s SER 830 Ca 0.51 -0.73 0.03 0.00 0.48 0.00 0.00 55.95 56.23 2far s SER 830 Cb -0.20 -0.68 0.49 0.00 0.10 0.00 0.00 66.02 65.73 2far s SER 830 CO 0.20 -0.51 1.80 0.00 0.98 0.00 0.00 173.24 175.71 2far h ALA 831 N 1.22 1.23 -0.66 5.32 0.00 -2.00 -2.68 119.26 121.69 2far h ALA 831 Ca -0.43 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.19 2far h ALA 831 Cb 1.26 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 2far h ALA 831 CO 0.60 0.50 0.30 0.00 0.00 0.00 0.00 179.25 180.66 2far h ALA 832 N 1.39 0.85 -0.59 0.00 0.00 -1.99 -1.67 119.26 117.26 2far h ALA 832 Ca 0.09 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.87 2far h ALA 832 Cb 0.49 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2far h ALA 832 CO 0.03 0.43 0.38 0.52 0.00 0.00 0.00 179.25 180.61 2far h MET 833 N 0.92 0.74 -0.35 0.00 2.07 -1.81 -1.44 114.93 115.06 2far h MET 833 Ca 0.23 -0.04 -0.07 0.00 -2.07 0.00 0.00 59.70 57.74 2far h MET 833 Cb 0.14 -0.17 -0.02 0.00 -1.87 0.00 0.00 31.60 29.69 2far h MET 833 CO -0.03 0.49 -0.06 0.00 1.07 0.00 0.00 176.91 178.38 2far h ARG 834 N 0.77 0.57 -0.31 1.72 3.08 -1.22 -2.34 114.38 116.65 2far h ARG 834 Ca 0.22 -0.15 -0.09 0.00 0.07 0.00 0.00 59.98 60.03 2far h ARG 834 Cb -0.05 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 2far h ARG 834 CO -0.07 0.64 -0.21 0.00 -1.07 0.00 0.00 179.97 179.27 2far h ARG 835 N 0.53 0.57 -0.01 0.04 3.08 -0.74 -2.54 114.38 115.31 2far h ARG 835 Ca 0.10 -0.21 -0.08 0.00 0.07 0.00 0.00 59.98 59.87 2far h ARG 835 Cb 0.44 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 2far h ARG 835 CO 0.02 0.75 -0.35 1.96 -1.07 0.00 0.00 179.97 181.28 2far h GLN 836 N 0.51 0.02 -0.01 0.04 4.20 -0.76 -3.51 115.11 115.60 2far h GLN 836 Ca 0.08 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.78 2far h GLN 836 Cb 0.64 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.42 2far h GLN 836 CO 0.05 0.37 0.00 1.28 -0.67 0.00 0.00 178.83 179.86