#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o8h n PRO 455 N 0.00 0.42 0.05 1.96 -0.02 -1.26 -4.63 135.00 131.52 2o8h n PRO 455 Ca 0.00 0.15 -0.03 0.00 -2.02 0.00 0.00 63.50 61.60 2o8h n PRO 455 Cb 0.00 -1.31 0.22 0.00 -0.02 0.00 0.00 33.50 32.39 2o8h n PRO 455 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2o8h h ALA 456 N 1.03 1.12 -0.04 3.55 0.00 -2.05 -0.65 119.26 122.21 2o8h h ALA 456 Ca -0.35 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.08 2o8h h ALA 456 Cb 1.41 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 2o8h h ALA 456 CO 0.54 0.56 -0.49 -0.09 0.00 0.00 0.00 179.25 179.77 2o8h h ARG 457 N 0.33 0.10 0.24 0.00 2.43 -2.00 -2.54 114.38 112.94 2o8h h ARG 457 Ca 0.04 -0.05 -0.34 0.00 -0.81 0.00 0.00 59.98 58.82 2o8h h ARG 457 Cb 0.71 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 30.30 2o8h h ARG 457 CO 0.05 0.57 -1.52 0.82 -1.51 0.00 0.00 179.97 178.39 2o8h h ILE 458 N 0.08 1.24 -0.52 1.20 2.04 -1.87 -1.02 117.51 118.66 2o8h h ILE 458 Ca 0.00 -2.70 0.11 0.00 1.00 0.00 0.00 64.86 63.28 2o8h h ILE 458 Cb 0.90 2.99 -0.03 0.00 -0.74 0.00 0.00 36.82 39.94 2o8h h ILE 458 CO 0.07 0.82 0.36 0.00 0.00 0.00 0.00 178.15 179.40 2o8h h ARG 460 N 0.21 0.00 0.00 0.00 9.65 -1.50 -3.40 114.38 119.34 2o8h h ARG 460 Ca 0.24 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.12 2o8h h ARG 460 Cb 0.69 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.27 2o8h h ARG 460 CO -0.04 0.50 0.00 -0.25 2.80 0.00 0.00 179.97 182.98 2o8h n ASP 461 N -4.58 0.49 0.21 -3.80 9.92 -0.39 -2.95 116.55 115.46 2o8h n ASP 461 Ca -0.15 0.58 0.15 0.00 -0.53 0.00 0.00 54.79 54.84 2o8h n ASP 461 Cb 0.40 -0.70 0.63 0.00 -0.64 0.00 0.00 41.12 40.81 2o8h n ASP 461 CO 0.00 0.00 0.00 -0.29 0.13 0.00 0.00 177.20 177.04 2o8h h ILE 462 N 0.00 0.00 0.00 0.53 2.10 -1.48 -2.01 117.51 116.66 2o8h h ILE 462 Ca 0.00 -0.33 0.00 0.00 1.08 0.00 0.00 64.86 65.61 2o8h h ILE 462 Cb 0.49 1.19 0.00 0.00 -1.09 0.00 0.00 36.82 37.41 2o8h h ILE 462 CO 0.00 0.00 -0.04 -0.33 -1.08 0.00 0.00 178.15 176.70 2o8h h GLU 463 N 0.00 0.00 -6.93 2.19 4.39 -1.79 -3.46 114.58 108.98 2o8h h GLU 463 Ca 0.00 0.00 -0.50 0.00 0.34 0.00 0.00 59.36 59.20 2o8h h GLU 463 Cb 0.39 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.07 2o8h h GLU 463 CO 0.00 0.00 0.46 -0.51 -1.16 0.00 0.00 179.01 177.80 2o8h s LEU 464 N -4.81 4.22 0.23 1.33 1.43 -0.75 -4.93 118.68 115.39 2o8h s LEU 464 Ca 0.10 2.22 -0.06 0.00 -1.03 0.00 0.00 54.13 55.36 2o8h s LEU 464 Cb 0.11 -4.03 0.23 0.00 0.03 0.00 0.00 46.19 42.53 2o8h s LEU 464 CO 0.62 -0.54 1.78 -0.26 0.23 0.00 0.00 176.35 178.19 2o8h h PHE 465 N 2.74 1.10 -0.13 0.29 0.04 -1.88 -2.92 116.94 116.18 2o8h h PHE 465 Ca -0.48 -0.10 0.00 0.00 2.80 0.00 0.00 57.97 60.19 2o8h h PHE 465 Cb 1.22 -0.32 0.00 0.00 2.20 0.00 0.00 35.95 39.05 2o8h h PHE 465 CO 0.57 0.87 0.00 -2.39 -0.60 0.00 0.00 178.31 176.75 2o8h n HIS 466 N -4.27 0.46 -1.75 -0.55 1.44 -1.26 -4.87 115.22 104.42 2o8h n HIS 466 Ca 0.06 -0.16 -0.42 0.00 -2.01 0.00 0.00 57.72 55.19 2o8h n HIS 466 Cb 0.21 -0.18 -0.01 0.00 0.12 0.00 0.00 29.99 30.14 2o8h n HIS 466 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 2o8h n PHE 467 N 0.13 2.83 -4.95 -1.40 7.35 -1.11 -4.64 117.46 115.68 2o8h n PHE 467 Ca 0.06 0.41 -0.32 0.00 -0.76 0.00 0.00 57.45 56.84 2o8h n PHE 467 Cb 0.45 -2.53 -0.14 0.00 0.35 0.00 0.00 39.48 37.60 2o8h n PHE 467 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2o8h s ASP 468 N 0.03 3.79 0.00 -2.13 -1.08 -1.26 -5.02 116.67 111.00 2o8h s ASP 468 Ca 0.57 -0.30 0.25 0.00 -0.52 0.00 0.00 52.55 52.54 2o8h s ASP 468 Cb -0.50 -1.03 1.21 0.00 -1.46 0.00 0.00 42.92 41.14 2o8h s ASP 468 CO 0.59 0.28 1.81 2.30 0.52 0.00 0.00 175.17 180.67 2o8h n ILE 469 N 2.77 0.05 -0.92 4.11 -5.35 -1.26 -5.02 119.36 113.74 2o8h n ILE 469 Ca -0.17 -0.14 0.12 0.00 -0.27 0.00 0.00 62.75 62.28 2o8h n ILE 469 Cb 0.52 -0.00 -0.04 0.00 -1.74 0.00 0.00 39.64 38.38 2o8h n ILE 469 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2o8h n GLY 470 N 1.01 -2.26 0.04 3.28 0.00 -1.26 -4.68 105.19 101.33 2o8h n GLY 470 Ca 0.18 -1.26 0.14 0.00 0.00 0.00 0.00 46.02 45.08 2o8h n GLY 470 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2o8h n PRO 471 N -3.54 0.25 -2.70 1.61 -0.04 -1.26 -4.73 135.00 124.60 2o8h n PRO 471 Ca -0.02 -0.07 -0.42 0.00 -0.04 0.00 0.00 63.50 62.95 2o8h n PRO 471 Cb 0.42 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.35 2o8h n PRO 471 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2o8h s PHE 472 N -2.80 2.59 0.50 0.54 0.40 -1.26 -4.87 117.98 113.08 2o8h s PHE 472 Ca 0.19 -0.60 0.16 0.00 -0.60 0.00 0.00 56.93 56.08 2o8h s PHE 472 Cb 0.19 -4.49 1.20 0.00 0.51 0.00 0.00 43.02 40.43 2o8h s PHE 472 CO 0.55 -1.82 2.10 0.93 0.70 0.00 0.00 175.22 177.67 2o8h h GLU 473 N 9.64 0.00 0.00 0.44 5.08 -1.95 -0.93 114.58 126.87 2o8h h GLU 473 Ca -0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2o8h h GLU 473 Cb 1.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.29 2o8h h GLU 473 CO 1.26 0.07 0.00 -0.91 -1.00 0.00 0.00 179.01 178.43 2o8h h ASN 474 N 0.00 0.00 1.26 1.42 4.21 -1.99 -2.82 115.58 117.66 2o8h h ASN 474 Ca -0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 2o8h h ASN 474 Cb 0.12 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.32 2o8h h ASN 474 CO 0.01 0.00 -0.28 0.24 -1.29 0.00 0.00 177.43 176.11 2o8h h MET 475 N 0.00 0.00 -0.37 0.81 2.86 -1.57 -3.39 114.93 113.27 2o8h h MET 475 Ca 0.00 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.58 2o8h h MET 475 Cb 0.52 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 2o8h h MET 475 CO 0.00 0.00 0.00 -1.49 1.06 0.00 0.00 176.91 176.48 2o8h h TRP 476 N 0.00 0.70 -0.64 -0.22 6.55 -1.58 -2.06 115.95 118.70 2o8h h TRP 476 Ca 0.00 -0.12 0.13 0.00 0.95 0.00 0.00 58.89 59.85 2o8h h TRP 476 Cb 0.77 -0.18 -0.11 0.00 -0.86 0.00 0.00 29.16 28.77 2o8h h TRP 476 CO 0.00 0.74 -0.05 -1.35 -1.05 0.00 0.00 178.44 176.73 2o8h h PRO 477 N 0.46 0.07 0.00 0.49 0.11 -1.77 -0.07 132.00 131.30 2o8h h PRO 477 Ca 0.10 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.20 2o8h h PRO 477 Cb 0.46 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.55 2o8h h PRO 477 CO 0.02 0.05 -0.03 0.78 -0.21 0.00 0.00 178.00 178.61 2o8h h GLY 478 N 0.08 0.00 1.22 -0.55 0.00 -1.78 -1.19 103.07 100.84 2o8h h GLY 478 Ca 0.33 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.50 2o8h h GLY 478 CO -0.59 0.00 -0.45 -2.22 0.00 0.00 0.00 176.54 173.29 2o8h h ILE 479 N 0.00 1.28 -0.27 2.60 2.04 -0.85 -2.10 117.51 120.21 2o8h h ILE 479 Ca -0.00 -1.63 -0.18 0.00 1.00 0.00 0.00 64.86 64.05 2o8h h ILE 479 Cb 0.99 1.50 -0.00 0.00 -0.74 0.00 0.00 36.82 38.57 2o8h h ILE 479 CO 0.00 0.53 -0.54 0.15 0.00 0.00 0.00 178.15 178.29 2o8h h PHE 480 N 0.67 1.01 -0.50 1.37 3.57 -0.52 -2.37 116.94 120.16 2o8h h PHE 480 Ca 0.04 -0.36 -0.12 0.00 3.53 0.00 0.00 57.97 61.07 2o8h h PHE 480 Cb 1.03 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.56 2o8h h PHE 480 CO 0.06 1.16 -0.15 0.28 -2.23 0.00 0.00 178.31 177.43 2o8h h VAL 481 N 0.62 1.27 -0.03 1.41 2.07 -1.28 -0.97 116.25 119.34 2o8h h VAL 481 Ca 0.01 -1.31 0.03 0.00 0.82 0.00 0.00 66.70 66.26 2o8h h VAL 481 Cb 1.14 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 31.93 2o8h h VAL 481 CO 0.12 0.46 -0.19 0.22 0.02 0.00 0.00 177.57 178.20 2o8h h TYR 482 N 0.86 -0.49 -0.62 1.57 3.20 -1.36 0.19 116.97 120.32 2o8h h TYR 482 Ca 0.12 0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.09 2o8h h TYR 482 Cb 0.72 0.22 -0.06 0.00 1.54 0.00 0.00 36.73 39.15 2o8h h TYR 482 CO 0.05 -0.27 0.29 0.52 -1.64 0.00 0.00 178.16 177.12 2o8h h MET 483 N -0.29 0.52 0.27 1.82 2.86 -1.21 0.17 114.93 119.07 2o8h h MET 483 Ca 0.07 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.66 2o8h h MET 483 Cb 0.38 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.92 2o8h h MET 483 CO -0.19 0.34 -0.13 0.82 1.06 0.00 0.00 176.91 178.81 2o8h h ILE 484 N 0.53 0.77 -0.84 -1.22 2.04 -0.93 -0.12 117.51 117.74 2o8h h ILE 484 Ca 0.29 -0.58 0.18 0.00 1.00 0.00 0.00 64.86 65.76 2o8h h ILE 484 Cb 0.27 1.08 -0.16 0.00 -0.74 0.00 0.00 36.82 37.28 2o8h h ILE 484 CO -0.23 0.12 -0.12 0.45 0.00 0.00 0.00 178.15 178.36 2o8h h HIS 485 N -0.68 -0.29 0.00 1.37 3.86 -0.30 0.43 115.15 119.55 2o8h h HIS 485 Ca -0.04 0.07 -0.08 0.00 -1.16 0.00 0.00 60.37 59.16 2o8h h HIS 485 Cb 0.47 0.26 -0.01 0.00 1.06 0.00 0.00 27.41 29.19 2o8h h HIS 485 CO 0.02 -0.34 -0.39 0.00 0.86 0.00 0.00 177.93 178.08 2o8h h ARG 486 N 0.03 0.00 0.04 2.45 3.08 -0.54 -2.90 114.38 116.54 2o8h h ARG 486 Ca 0.43 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 60.15 2o8h h ARG 486 Cb 0.73 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.74 2o8h h ARG 486 CO -0.82 0.39 -1.86 0.43 -1.07 0.00 0.00 179.97 177.04 2o8h n SER 487 N -3.29 1.98 -0.07 7.04 7.64 -0.07 -4.79 113.62 122.06 2o8h n SER 487 Ca 0.01 0.27 -0.07 0.00 1.01 0.00 0.00 58.87 60.09 2o8h n SER 487 Cb 0.63 -0.84 -0.02 0.00 -1.01 0.00 0.00 64.21 62.96 2o8h n SER 487 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2o8h n GLY 489 N 1.50 -0.45 0.09 0.00 0.00 -1.09 -4.94 105.19 100.29 2o8h n GLY 489 Ca -0.11 -1.15 -0.09 0.00 0.00 0.00 0.00 46.02 44.67 2o8h n GLY 489 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2o8h n THR 490 N -0.60 1.23 -0.29 2.61 5.66 -1.25 -3.69 114.28 117.94 2o8h n THR 490 Ca 0.00 -0.75 0.10 0.00 -3.05 0.00 0.00 64.05 60.35 2o8h n THR 490 Cb 0.00 -0.54 0.28 0.00 -1.55 0.00 0.00 70.33 68.52 2o8h n THR 490 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 2o8h n SER 491 N -2.67 3.71 0.08 1.09 3.41 -1.26 -4.48 113.62 113.50 2o8h n SER 491 Ca -0.29 -2.00 -0.11 0.00 -0.26 0.00 0.00 58.87 56.21 2o8h n SER 491 Cb 1.08 -0.42 -0.12 0.00 -0.26 0.00 0.00 64.21 64.48 2o8h n SER 491 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2o8h s PHE 493 N -2.71 2.36 -0.42 0.00 0.40 -1.26 -5.00 117.98 111.35 2o8h s PHE 493 Ca -0.02 -0.41 -0.29 0.00 -0.60 0.00 0.00 56.93 55.61 2o8h s PHE 493 Cb 0.09 -1.48 0.01 0.00 0.51 0.00 0.00 43.02 42.15 2o8h s PHE 493 CO 0.85 0.02 1.36 -2.00 0.70 0.00 0.00 175.22 176.15 2o8h s GLU 494 N -0.78 3.60 0.19 0.44 -6.30 -1.26 -4.94 118.70 109.66 2o8h s GLU 494 Ca 0.11 0.87 -0.22 0.00 -2.50 0.00 0.00 54.97 53.23 2o8h s GLU 494 Cb -0.10 -4.00 0.12 0.00 0.00 0.00 0.00 34.13 30.15 2o8h s GLU 494 CO -0.00 -1.53 1.57 1.25 0.02 0.00 0.00 175.26 176.56 2o8h h LEU 495 N 12.02 -1.42 -1.05 2.70 5.85 -1.98 -0.50 115.31 130.92 2o8h h LEU 495 Ca -0.27 0.27 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 2o8h h LEU 495 Cb 1.10 0.69 -0.02 0.00 0.37 0.00 0.00 40.66 42.80 2o8h h LEU 495 CO 1.09 -0.30 0.05 -0.33 -0.34 0.00 0.00 178.44 178.61 2o8h h GLU 496 N -0.12 0.73 -0.03 1.25 5.08 -1.99 0.20 114.58 119.71 2o8h h GLU 496 Ca 0.25 -0.17 -0.20 0.00 -1.00 0.00 0.00 59.36 58.25 2o8h h GLU 496 Cb 0.56 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.72 2o8h h GLU 496 CO -0.80 0.71 -0.76 0.87 -1.00 0.00 0.00 179.01 178.02 2o8h h LYS 497 N 0.70 0.56 -0.92 2.33 1.57 -1.49 -2.83 116.57 116.49 2o8h h LYS 497 Ca 0.15 -0.57 -0.00 0.00 -1.87 0.00 0.00 60.65 58.36 2o8h h LYS 497 Cb 0.35 0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.77 2o8h h LYS 497 CO 0.01 1.19 0.57 1.25 -0.57 0.00 0.00 179.45 181.90 2o8h h LEU 498 N 0.16 1.09 -0.65 2.94 5.85 -0.89 -0.27 115.31 123.53 2o8h h LEU 498 Ca -0.09 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 2o8h h LEU 498 Cb 1.44 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 42.16 2o8h h LEU 498 CO 0.15 0.83 0.39 0.00 -0.34 0.00 0.00 178.44 179.47 2o8h h ARG 500 N 0.88 0.07 -0.48 0.00 0.11 -1.21 -2.43 114.38 111.33 2o8h h ARG 500 Ca 0.23 -0.12 0.09 0.00 0.10 0.00 0.00 59.98 60.29 2o8h h ARG 500 Cb -0.03 0.04 -0.08 0.00 1.11 0.00 0.00 29.97 31.02 2o8h h ARG 500 CO -0.04 1.01 -0.02 0.35 0.10 0.00 0.00 179.97 181.36 2o8h h PHE 501 N 0.02 -0.08 -0.46 4.08 3.57 -0.83 0.05 116.94 123.29 2o8h h PHE 501 Ca -0.07 0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.51 2o8h h PHE 501 Cb 1.85 0.11 -0.04 0.00 2.79 0.00 0.00 35.95 40.65 2o8h h PHE 501 CO 0.02 -0.13 0.22 0.82 -2.23 0.00 0.00 178.31 177.01 2o8h h ILE 502 N 0.09 0.95 -0.31 1.41 2.04 -0.91 -2.13 117.51 118.65 2o8h h ILE 502 Ca 0.24 -0.15 -0.08 0.00 1.00 0.00 0.00 64.86 65.86 2o8h h ILE 502 Cb 0.36 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 2o8h h ILE 502 CO -0.42 0.08 -0.15 0.24 0.00 0.00 0.00 178.15 177.91 2o8h h MET 503 N 0.45 0.55 0.00 2.37 2.86 -0.95 -2.22 114.93 117.99 2o8h h MET 503 Ca 0.20 -0.17 -0.10 0.00 -2.06 0.00 0.00 59.70 57.57 2o8h h MET 503 Cb 0.12 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 2o8h h MET 503 CO -0.15 0.68 -0.48 0.77 1.06 0.00 0.00 176.91 178.79 2o8h h SER 504 N 0.50 0.00 0.01 1.22 0.02 -0.70 -2.67 113.55 111.93 2o8h h SER 504 Ca 0.09 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.04 2o8h h SER 504 Cb 0.55 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.09 2o8h h SER 504 CO 0.03 0.48 -0.01 0.58 -1.14 0.00 0.00 176.83 176.78 2o8h h VAL 505 N 0.00 1.38 -0.31 2.27 2.07 -0.96 -2.99 116.25 117.72 2o8h h VAL 505 Ca -0.00 -1.22 0.06 0.00 0.82 0.00 0.00 66.70 66.35 2o8h h VAL 505 Cb 1.04 2.20 -0.08 0.00 -1.52 0.00 0.00 31.29 32.93 2o8h h VAL 505 CO 0.06 0.31 -0.43 0.50 0.02 0.00 0.00 177.57 178.03 2o8h h LYS 506 N -0.55 -0.38 -1.13 1.57 3.64 -1.44 -1.26 116.57 117.02 2o8h h LYS 506 Ca -0.00 0.03 0.32 0.00 -1.27 0.00 0.00 60.65 59.72 2o8h h LYS 506 Cb 0.53 0.09 -0.09 0.00 -0.41 0.00 0.00 32.23 32.35 2o8h h LYS 506 CO 0.00 -0.25 0.76 -0.22 -2.27 0.00 0.00 179.45 177.47 2o8h h LYS 507 N -0.39 0.23 -0.01 1.90 1.63 -1.50 -0.25 116.57 118.17 2o8h h LYS 507 Ca 0.11 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.90 2o8h h LYS 507 Cb 0.60 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.18 2o8h h LYS 507 CO -0.51 0.15 -0.10 0.09 -3.45 0.00 0.00 179.45 175.62 2o8h n ASN 508 N -4.51 1.48 -4.84 4.20 3.02 -0.51 -4.84 115.26 109.26 2o8h n ASN 508 Ca 0.27 -1.34 -0.32 0.00 -0.03 0.00 0.00 54.58 53.16 2o8h n ASN 508 Cb 1.08 0.06 -0.06 0.00 -0.61 0.00 0.00 39.78 40.25 2o8h n ASN 508 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2o8h s TYR 509 N -2.19 3.37 0.27 3.10 1.51 -0.11 -2.30 117.35 121.00 2o8h s TYR 509 Ca 0.32 1.35 0.07 0.00 -1.01 0.00 0.00 57.07 57.80 2o8h s TYR 509 Cb 0.20 -2.65 -0.03 0.00 -0.11 0.00 0.00 41.96 39.37 2o8h s TYR 509 CO 0.40 -0.03 0.25 1.03 -1.11 0.00 0.00 175.55 176.09 2o8h s ARG 510 N -3.21 2.99 -1.48 -0.62 0.52 -1.26 -4.93 118.95 110.96 2o8h s ARG 510 Ca 0.57 -1.04 -0.11 0.00 -0.52 0.00 0.00 55.73 54.62 2o8h s ARG 510 Cb -0.10 -2.61 0.02 0.00 0.52 0.00 0.00 34.95 32.78 2o8h s ARG 510 CO 0.18 0.34 2.43 0.54 0.02 0.00 0.00 175.30 178.81 2o8h n ARG 511 N -1.27 3.37 -3.84 3.54 1.74 -1.26 -4.56 116.66 114.38 2o8h n ARG 511 Ca -0.07 -2.67 -0.21 0.00 -0.77 0.00 0.00 57.85 54.13 2o8h n ARG 511 Cb 0.58 -3.03 -0.02 0.00 -1.02 0.00 0.00 32.46 28.97 2o8h n ARG 511 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2o8h s VAL 512 N 2.14 4.61 0.24 1.55 -7.23 -1.26 -5.04 120.40 115.40 2o8h s VAL 512 Ca 0.54 -1.11 -0.05 0.00 -1.81 0.00 0.00 61.98 59.55 2o8h s VAL 512 Cb 0.15 -3.58 0.15 0.00 0.56 0.00 0.00 36.38 33.65 2o8h s VAL 512 CO -0.07 -0.27 1.78 -0.65 -0.31 0.00 0.00 175.10 175.58 2o8h h PRO 513 N 1.16 1.04 0.00 4.82 0.11 -1.91 -3.42 132.00 133.79 2o8h h PRO 513 Ca -0.49 -0.22 0.00 0.00 0.11 0.00 0.00 66.00 65.41 2o8h h PRO 513 Cb 1.24 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2o8h h PRO 513 CO 0.58 0.89 -0.53 0.98 -0.21 0.00 0.00 178.00 179.71 2o8h n TYR 514 N -4.26 -0.14 -1.30 0.65 9.36 -1.26 -4.83 117.16 115.38 2o8h n TYR 514 Ca 0.05 0.03 -0.37 0.00 3.32 0.00 0.00 57.90 60.93 2o8h n TYR 514 Cb 0.23 0.08 -0.02 0.00 -0.63 0.00 0.00 39.34 38.99 2o8h n TYR 514 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 2o8h n HIS 515 N -3.14 2.47 -3.80 2.98 8.25 -1.26 -4.45 115.22 116.27 2o8h n HIS 515 Ca 0.00 -2.75 0.00 0.00 -0.26 0.00 0.00 57.72 54.71 2o8h n HIS 515 Cb 0.27 -2.30 0.00 0.00 1.12 0.00 0.00 29.99 29.08 2o8h n HIS 515 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2o8h n ASN 516 N 4.68 1.84 -0.12 0.41 0.23 -1.26 -4.64 115.26 116.40 2o8h n ASN 516 Ca 0.63 -0.87 -0.03 0.00 -0.53 0.00 0.00 54.58 53.78 2o8h n ASN 516 Cb 0.27 0.00 0.19 0.00 -2.08 0.00 0.00 39.78 38.16 2o8h n ASN 516 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 2o8h h TRP 517 N 0.81 0.84 -0.92 -2.53 -0.00 -1.89 -2.26 115.95 110.00 2o8h h TRP 517 Ca 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 58.89 58.81 2o8h h TRP 517 Cb 0.00 -0.24 -0.04 0.00 -0.00 0.00 0.00 29.16 28.87 2o8h h TRP 517 CO 0.00 0.72 0.58 -0.22 -0.00 0.00 0.00 178.44 179.52 2o8h h LYS 518 N 0.78 1.23 -0.66 2.65 3.64 -1.96 -1.85 116.57 120.40 2o8h h LYS 518 Ca 0.17 -0.09 -0.05 0.00 -1.27 0.00 0.00 60.65 59.41 2o8h h LYS 518 Cb 0.32 -0.27 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 2o8h h LYS 518 CO 0.00 0.84 0.22 1.25 -2.27 0.00 0.00 179.45 179.49 2o8h h HIS 519 N 1.26 1.04 -0.67 1.91 2.76 -1.69 -1.68 115.15 118.08 2o8h h HIS 519 Ca 0.33 -0.10 -0.02 0.00 -2.20 0.00 0.00 60.37 58.39 2o8h h HIS 519 Cb -0.10 -0.30 -0.03 0.00 1.55 0.00 0.00 27.41 28.53 2o8h h HIS 519 CO -0.00 0.83 0.36 0.00 -1.30 0.00 0.00 177.93 177.82 2o8h h ALA 520 N 1.09 0.86 -0.00 5.26 0.00 -0.78 -0.69 119.26 124.99 2o8h h ALA 520 Ca 0.21 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.84 2o8h h ALA 520 Cb 0.27 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2o8h h ALA 520 CO -0.01 0.38 -0.80 0.28 0.00 0.00 0.00 179.25 179.10 2o8h h VAL 521 N 0.91 1.54 -0.19 0.00 2.07 -1.32 -2.63 116.25 116.63 2o8h h VAL 521 Ca 0.23 -2.65 -0.09 0.00 0.82 0.00 0.00 66.70 65.02 2o8h h VAL 521 Cb 0.05 2.44 -0.00 0.00 -1.52 0.00 0.00 31.29 32.26 2o8h h VAL 521 CO -0.04 0.76 -0.23 0.74 0.02 0.00 0.00 177.57 178.83 2o8h h THR 522 N 0.03 1.33 -0.90 2.57 2.02 -0.91 -0.38 112.91 116.68 2o8h h THR 522 Ca -0.02 -1.41 0.01 0.00 0.77 0.00 0.00 66.41 65.76 2o8h h THR 522 Cb 1.41 1.80 -0.04 0.00 -1.74 0.00 0.00 68.15 69.58 2o8h h THR 522 CO 0.11 0.43 0.59 0.58 0.37 0.00 0.00 175.52 177.59 2o8h h VAL 523 N 0.16 1.23 -0.62 3.16 2.07 -1.20 -1.62 116.25 119.45 2o8h h VAL 523 Ca 0.03 -0.44 -0.08 0.00 0.82 0.00 0.00 66.70 67.03 2o8h h VAL 523 Cb 0.78 -0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 2o8h h VAL 523 CO 0.05 0.23 0.08 0.00 0.02 0.00 0.00 177.57 177.95 2o8h h ALA 524 N 1.42 0.98 -0.38 1.67 0.00 -1.20 -2.26 119.26 119.49 2o8h h ALA 524 Ca 0.33 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2o8h h ALA 524 Cb -0.12 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 2o8h h ALA 524 CO -0.07 0.64 0.08 1.25 0.00 0.00 0.00 179.25 181.15 2o8h h HIS 525 N 0.95 0.66 -0.77 0.00 6.17 -0.39 -0.86 115.15 120.92 2o8h h HIS 525 Ca 0.19 -0.09 0.10 0.00 0.71 0.00 0.00 60.37 61.28 2o8h h HIS 525 Cb 0.44 -0.18 -0.07 0.00 2.52 0.00 0.00 27.41 30.11 2o8h h HIS 525 CO 0.03 0.65 0.41 0.00 0.71 0.00 0.00 177.93 179.73 2o8h h MET 527 N 0.68 1.06 -0.50 0.00 -1.53 -0.86 -0.82 114.93 112.97 2o8h h MET 527 Ca 0.38 -0.31 0.06 0.00 -3.44 0.00 0.00 59.70 56.40 2o8h h MET 527 Cb 0.39 -0.11 -0.06 0.00 -0.55 0.00 0.00 31.60 31.27 2o8h h MET 527 CO -0.27 1.01 0.19 -0.92 0.14 0.00 0.00 176.91 177.05 2o8h h TYR 528 N 0.97 0.33 -0.57 1.39 3.20 0.09 -1.72 116.97 120.66 2o8h h TYR 528 Ca 0.19 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.04 2o8h h TYR 528 Cb 0.48 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.65 2o8h h TYR 528 CO 0.04 0.12 0.18 0.00 -1.64 0.00 0.00 178.16 176.85 2o8h h ALA 529 N 1.32 1.26 -0.55 1.82 0.00 -0.36 -0.91 119.26 121.84 2o8h h ALA 529 Ca 0.24 -0.18 -0.35 0.00 0.00 0.00 0.00 54.91 54.62 2o8h h ALA 529 Cb 0.24 -0.23 -0.16 0.00 0.00 0.00 0.00 17.79 17.64 2o8h h ALA 529 CO -0.23 0.53 0.45 -0.89 0.00 0.00 0.00 179.25 179.11 2o8h n ILE 530 N -4.30 2.68 0.00 0.00 5.41 -0.37 -2.43 119.36 120.36 2o8h n ILE 530 Ca 0.04 -1.59 0.00 0.00 1.00 0.00 0.00 62.75 62.21 2o8h n ILE 530 Cb 0.20 -1.11 0.00 0.00 -0.71 0.00 0.00 39.64 38.01 2o8h n ILE 530 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2o8h n LEU 531 N -0.02 0.07 -0.21 1.39 4.32 -0.71 -4.81 117.00 117.04 2o8h n LEU 531 Ca 0.34 0.00 0.19 0.00 -0.02 0.00 0.00 56.01 56.53 2o8h n LEU 531 Cb 0.77 0.00 0.54 0.00 -1.62 0.00 0.00 43.42 43.12 2o8h n LEU 531 CO 0.41 -0.34 1.22 1.56 -1.22 0.00 0.00 177.39 179.02 2o8h h GLN 532 N 0.00 0.33 -0.34 3.23 1.08 -1.26 -1.98 115.11 116.17 2o8h h GLN 532 Ca 0.00 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 2o8h h GLN 532 Cb 0.18 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.54 2o8h h GLN 532 CO 0.00 0.22 0.00 0.09 -0.95 0.00 0.00 178.83 178.19 2o8h n ASN 533 N -4.47 2.78 -2.64 1.46 3.02 -1.02 -4.18 115.26 110.21 2o8h n ASN 533 Ca 0.18 -1.90 -0.11 0.00 -0.03 0.00 0.00 54.58 52.71 2o8h n ASN 533 Cb 0.69 -0.22 0.03 0.00 -0.61 0.00 0.00 39.78 39.67 2o8h n ASN 533 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2o8h n ASN 534 N 1.04 1.97 -4.70 6.41 3.02 -0.75 -4.71 115.26 117.54 2o8h n ASN 534 Ca 0.18 -2.79 -0.44 0.00 -0.03 0.00 0.00 54.58 51.51 2o8h n ASN 534 Cb 0.49 -0.51 -0.02 0.00 -0.61 0.00 0.00 39.78 39.13 2o8h n ASN 534 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2o8h n ASN 535 N -0.19 3.11 0.00 6.41 4.05 -1.18 -2.17 115.26 125.29 2o8h n ASN 535 Ca 0.14 1.15 0.00 0.00 0.45 0.00 0.00 54.58 56.31 2o8h n ASN 535 Cb 0.80 -1.49 0.00 0.00 1.23 0.00 0.00 39.78 40.32 2o8h n ASN 535 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2o8h n GLY 536 N 2.05 0.97 0.08 8.20 0.00 -1.26 -4.90 105.19 110.33 2o8h n GLY 536 Ca 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.10 2o8h n GLY 536 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2o8h n LEU 537 N 0.00 0.34 -4.43 0.99 4.77 -0.92 -4.92 117.00 112.83 2o8h n LEU 537 Ca 0.00 0.15 -0.31 0.00 -0.03 0.00 0.00 56.01 55.82 2o8h n LEU 537 Cb 0.00 0.23 -0.13 0.00 -2.33 0.00 0.00 43.42 41.18 2o8h n LEU 537 CO 0.00 0.26 -0.50 -0.36 -1.33 0.00 0.00 177.39 175.46 2o8h s PHE 538 N -2.87 2.54 0.88 -1.77 0.40 -1.26 -5.12 117.98 110.78 2o8h s PHE 538 Ca -0.07 -0.27 -0.11 0.00 -0.60 0.00 0.00 56.93 55.88 2o8h s PHE 538 Cb 0.09 -1.50 0.12 0.00 0.51 0.00 0.00 43.02 42.23 2o8h s PHE 538 CO 0.84 0.18 1.09 0.95 0.70 0.00 0.00 175.22 178.99 2o8h s THR 539 N -0.82 2.75 0.33 0.64 -4.23 -1.26 -4.83 115.64 108.22 2o8h s THR 539 Ca 0.13 0.24 0.04 0.00 -1.18 0.00 0.00 61.69 60.93 2o8h s THR 539 Cb -0.10 -2.67 0.30 0.00 1.34 0.00 0.00 72.50 71.36 2o8h s THR 539 CO 0.03 -0.32 1.90 0.44 -0.54 0.00 0.00 174.62 176.13 2o8h h ASP 540 N -1.52 0.79 -0.21 3.99 3.32 -1.97 -1.41 116.42 119.40 2o8h h ASP 540 Ca -0.48 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 56.53 2o8h h ASP 540 Cb 1.27 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.67 2o8h h ASP 540 CO 0.52 0.46 -0.12 -0.07 -1.72 0.00 0.00 179.24 178.31 2o8h h LEU 541 N 0.87 0.48 -1.08 1.55 3.38 -2.00 -2.06 115.31 116.45 2o8h h LEU 541 Ca 0.41 -0.43 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 2o8h h LEU 541 Cb 0.41 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 2o8h h LEU 541 CO -0.17 0.80 0.32 -0.33 0.09 0.00 0.00 178.44 179.15 2o8h h GLU 542 N 0.16 0.97 -0.44 1.13 5.08 -1.85 -1.05 114.58 118.58 2o8h h GLU 542 Ca 0.05 -0.13 -0.12 0.00 -1.00 0.00 0.00 59.36 58.15 2o8h h GLU 542 Cb 0.63 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2o8h h GLU 542 CO 0.04 0.75 -0.21 0.00 -1.00 0.00 0.00 179.01 178.59 2o8h h ARG 543 N 0.96 0.92 0.53 2.33 3.08 -1.15 0.36 114.38 121.42 2o8h h ARG 543 Ca 0.24 -0.40 -0.03 0.00 0.07 0.00 0.00 59.98 59.86 2o8h h ARG 543 Cb 0.11 -0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.13 2o8h h ARG 543 CO -0.03 1.06 -0.26 0.87 -1.07 0.00 0.00 179.97 180.54 2o8h h LYS 544 N 0.75 -0.69 -0.89 0.04 1.57 -1.21 -2.98 116.57 113.16 2o8h h LYS 544 Ca 0.10 0.05 0.18 0.00 -1.87 0.00 0.00 60.65 59.10 2o8h h LYS 544 Cb 0.78 0.16 -0.10 0.00 0.08 0.00 0.00 32.23 33.14 2o8h h LYS 544 CO 0.06 -0.39 0.46 0.78 -0.57 0.00 0.00 179.45 179.80 2o8h h GLY 545 N -1.05 1.51 1.83 3.86 0.00 -1.20 -2.50 103.07 105.52 2o8h h GLY 545 Ca -0.07 -0.25 -0.18 0.00 0.00 0.00 0.00 47.33 46.83 2o8h h GLY 545 CO 0.12 -0.10 -0.79 1.41 0.00 0.00 0.00 176.54 177.17 2o8h h LEU 546 N 0.59 0.20 -0.50 3.11 3.38 -0.97 0.29 115.31 121.41 2o8h h LEU 546 Ca 0.51 -0.15 -0.16 0.00 0.09 0.00 0.00 57.88 58.18 2o8h h LEU 546 Cb 0.82 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 2o8h h LEU 546 CO -0.41 0.91 -0.46 -0.07 0.09 0.00 0.00 178.44 178.50 2o8h h LEU 547 N 0.09 0.77 -0.25 1.67 3.38 -1.34 -1.86 115.31 117.78 2o8h h LEU 547 Ca -0.03 -0.37 -0.21 0.00 0.09 0.00 0.00 57.88 57.36 2o8h h LEU 547 Cb 1.39 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2o8h h LEU 547 CO 0.12 1.11 -0.84 0.40 0.09 0.00 0.00 178.44 179.32 2o8h h ILE 548 N 0.57 1.36 -0.61 1.22 2.04 -1.30 -2.61 117.51 118.18 2o8h h ILE 548 Ca 0.03 -2.23 -0.04 0.00 1.00 0.00 0.00 64.86 63.62 2o8h h ILE 548 Cb 1.01 2.22 -0.03 0.00 -0.74 0.00 0.00 36.82 39.29 2o8h h ILE 548 CO 0.10 0.68 0.23 0.00 0.00 0.00 0.00 178.15 179.15 2o8h h ALA 549 N 0.76 0.79 -0.45 1.87 0.00 -0.32 -1.33 119.26 120.59 2o8h h ALA 549 Ca -0.06 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 2o8h h ALA 549 Cb 1.45 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 2o8h h ALA 549 CO 0.15 0.43 0.23 0.00 0.00 0.00 0.00 179.25 180.06 2o8h h LEU 551 N 0.59 0.23 -0.60 0.00 5.85 -1.13 -3.05 115.31 117.19 2o8h h LEU 551 Ca 0.16 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.84 2o8h h LEU 551 Cb 0.08 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.05 2o8h h LEU 551 CO -0.02 0.31 -0.59 0.00 -0.34 0.00 0.00 178.44 177.80 2o8h h HIS 553 N 1.47 0.00 -0.11 0.00 2.07 -0.87 -1.58 115.15 116.13 2o8h h HIS 553 Ca 0.00 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.49 2o8h h HIS 553 Cb 0.64 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.60 2o8h h HIS 553 CO 0.00 0.00 -0.11 -0.25 -3.07 0.00 0.00 177.93 174.50 2o8h n ASP 554 N -2.46 2.59 -4.61 3.10 8.00 -1.26 -4.85 116.55 117.04 2o8h n ASP 554 Ca 0.03 -3.33 -0.51 0.00 0.71 0.00 0.00 54.79 51.68 2o8h n ASP 554 Cb 0.32 -0.51 -0.06 0.00 -0.02 0.00 0.00 41.12 40.86 2o8h n ASP 554 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2o8h n LEU 555 N -1.12 1.98 -2.13 0.64 -0.00 -0.60 -1.56 117.00 114.21 2o8h n LEU 555 Ca 0.20 1.11 -0.18 0.00 -0.00 0.00 0.00 56.01 57.14 2o8h n LEU 555 Cb 0.77 -1.23 0.00 0.00 -0.00 0.00 0.00 43.42 42.96 2o8h n LEU 555 CO 0.06 -0.85 -0.16 -0.67 -0.00 0.00 0.00 177.39 175.77 2o8h n ASP 556 N 2.98 -5.16 -4.76 1.96 2.03 -0.97 -4.51 116.55 108.12 2o8h n ASP 556 Ca 0.19 -0.08 -0.40 0.00 0.52 0.00 0.00 54.79 55.01 2o8h n ASP 556 Cb 0.20 -4.18 -0.04 0.00 -0.72 0.00 0.00 41.12 36.38 2o8h n ASP 556 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 2o8h s HIS 557 N -2.92 3.51 -1.40 -0.67 2.46 -0.60 -4.96 115.29 110.71 2o8h s HIS 557 Ca 0.07 1.65 0.13 0.00 0.47 0.00 0.00 55.06 57.38 2o8h s HIS 557 Cb -0.03 -3.34 0.04 0.00 -0.13 0.00 0.00 32.58 29.12 2o8h s HIS 557 CO 0.09 -0.74 0.82 0.54 -2.47 0.00 0.00 174.74 172.97 2o8h n ARG 558 N 1.28 1.46 0.00 2.88 1.74 -1.26 -4.45 116.66 118.31 2o8h n ARG 558 Ca -0.00 -0.96 0.00 0.00 -0.77 0.00 0.00 57.85 56.11 2o8h n ARG 558 Cb 0.44 -1.21 0.00 0.00 -1.02 0.00 0.00 32.46 30.68 2o8h n ARG 558 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2o8h n GLY 559 N 0.90 0.98 3.36 -0.13 0.00 -1.26 -4.99 105.19 104.06 2o8h n GLY 559 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 2o8h n GLY 559 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2o8h s PHE 560 N -2.00 2.37 0.90 1.61 0.08 -1.26 -4.73 117.98 114.94 2o8h s PHE 560 Ca 0.00 -0.39 -0.12 0.00 0.12 0.00 0.00 56.93 56.54 2o8h s PHE 560 Cb 0.00 -1.43 0.13 0.00 -0.57 0.00 0.00 43.02 41.15 2o8h s PHE 560 CO 0.00 0.12 1.12 -1.54 -0.10 0.00 0.00 175.22 174.82 2o8h s SER 561 N -1.16 3.59 0.28 1.36 1.04 -1.26 -4.91 113.70 112.64 2o8h s SER 561 Ca 0.12 1.08 0.01 0.00 0.48 0.00 0.00 55.95 57.63 2o8h s SER 561 Cb -0.10 -1.70 0.41 0.00 0.10 0.00 0.00 66.02 64.73 2o8h s SER 561 CO 0.02 -2.51 1.77 0.78 0.98 0.00 0.00 173.24 174.28 2o8h h ASN 562 N -1.47 0.62 -0.22 7.02 2.35 -2.00 -2.45 115.58 119.43 2o8h h ASN 562 Ca -0.50 -0.16 0.03 0.00 -0.55 0.00 0.00 56.30 55.12 2o8h h ASN 562 Cb 1.32 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 39.49 2o8h h ASN 562 CO 0.61 0.74 0.02 0.28 -1.65 0.00 0.00 177.43 177.43 2o8h h SER 563 N 0.59 -0.03 -0.83 5.81 0.02 -2.00 -2.13 113.55 114.98 2o8h h SER 563 Ca 0.11 0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 61.07 2o8h h SER 563 Cb 0.49 0.06 -0.04 0.00 0.14 0.00 0.00 62.40 63.06 2o8h h SER 563 CO 0.03 0.01 0.38 0.22 -1.14 0.00 0.00 176.83 176.33 2o8h h TYR 564 N 0.10 1.23 -0.63 3.45 3.20 -1.82 0.46 116.97 122.96 2o8h h TYR 564 Ca 0.10 -0.07 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 2o8h h TYR 564 Cb 0.11 -0.38 -0.03 0.00 1.54 0.00 0.00 36.73 37.98 2o8h h TYR 564 CO -0.16 0.90 0.32 -0.07 -1.64 0.00 0.00 178.16 177.50 2o8h h LEU 565 N 1.20 0.79 0.10 2.82 3.38 -1.13 -0.20 115.31 122.28 2o8h h LEU 565 Ca 0.28 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 2o8h h LEU 565 Cb 0.16 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2o8h h LEU 565 CO -0.03 0.66 -0.05 -0.61 0.09 0.00 0.00 178.44 178.50 2o8h h GLN 566 N 0.89 -0.13 0.00 1.13 4.15 -0.32 -0.48 115.11 120.34 2o8h h GLN 566 Ca 0.22 0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.62 2o8h h GLN 566 Cb 0.07 0.03 -0.00 0.00 0.21 0.00 0.00 27.48 27.78 2o8h h GLN 566 CO -0.03 0.20 -0.12 0.87 -1.93 0.00 0.00 178.83 177.82 2o8h h LYS 567 N -0.48 0.00 0.00 1.69 1.57 -0.97 -1.73 116.57 116.65 2o8h h LYS 567 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2o8h h LYS 567 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 2o8h h LYS 567 CO 0.02 0.12 0.00 0.34 -0.57 0.00 0.00 179.45 179.37 2o8h n PHE 568 N -4.38 0.83 -2.70 -1.35 7.35 -0.10 -4.92 117.46 112.19 2o8h n PHE 568 Ca -0.03 0.25 -0.11 0.00 -0.76 0.00 0.00 57.45 56.80 2o8h n PHE 568 Cb 0.19 -0.91 0.02 0.00 0.35 0.00 0.00 39.48 39.14 2o8h n PHE 568 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 2o8h n ASP 569 N -2.18 -3.92 -4.77 -2.13 -0.08 -0.49 -4.96 116.55 98.01 2o8h n ASP 569 Ca 0.05 -0.16 -0.40 0.00 -1.51 0.00 0.00 54.79 52.77 2o8h n ASP 569 Cb 0.40 -2.77 -0.01 0.00 2.34 0.00 0.00 41.12 41.08 2o8h n ASP 569 CO 0.00 0.00 0.00 -2.28 0.12 0.00 0.00 177.20 175.04 2o8h s HIS 570 N -2.90 2.93 0.22 -0.67 2.46 -0.31 -4.92 115.29 112.09 2o8h s HIS 570 Ca 0.18 1.43 -0.10 0.00 0.47 0.00 0.00 55.06 57.03 2o8h s HIS 570 Cb -0.08 -3.64 0.32 0.00 -0.13 0.00 0.00 32.58 29.05 2o8h s HIS 570 CO 0.22 -1.92 1.65 -1.35 -2.47 0.00 0.00 174.74 170.87 2o8h h PRO 571 N 2.91 0.09 -1.08 2.88 0.11 -1.93 -0.75 132.00 134.24 2o8h h PRO 571 Ca -0.49 -0.01 0.29 0.00 0.11 0.00 0.00 66.00 65.90 2o8h h PRO 571 Cb 1.24 -0.02 -0.10 0.00 0.11 0.00 0.00 31.00 32.23 2o8h h PRO 571 CO 0.63 0.06 0.70 -0.07 -0.21 0.00 0.00 178.00 179.11 2o8h h LEU 572 N 0.09 0.41 -0.05 2.35 3.38 -1.96 0.20 115.31 119.74 2o8h h LEU 572 Ca 0.34 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.40 2o8h h LEU 572 Cb 0.57 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 2o8h h LEU 572 CO -0.59 0.04 0.03 0.00 0.09 0.00 0.00 178.44 178.02 2o8h h ALA 573 N 1.62 0.06 -0.56 1.53 0.00 -1.34 0.06 119.26 120.62 2o8h h ALA 573 Ca 0.63 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.62 2o8h h ALA 573 Cb 1.68 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 19.37 2o8h h ALA 573 CO -0.31 -0.43 0.15 0.00 0.00 0.00 0.00 179.25 178.65 2o8h h ALA 574 N 1.00 0.68 0.53 0.00 0.00 -0.94 -2.99 119.26 117.53 2o8h h ALA 574 Ca 0.02 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 2o8h h ALA 574 Cb 0.01 0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.93 2o8h h ALA 574 CO -0.00 -0.27 -0.25 1.25 0.00 0.00 0.00 179.25 179.97 2o8h h LEU 575 N 0.30 -0.60 -7.80 0.00 5.85 -1.35 -3.40 115.31 108.31 2o8h h LEU 575 Ca 0.29 -0.04 -0.68 0.00 0.84 0.00 0.00 57.88 58.29 2o8h h LEU 575 Cb 0.39 0.16 -0.36 0.00 0.37 0.00 0.00 40.66 41.21 2o8h h LEU 575 CO -0.34 -0.33 -0.61 -0.31 -0.34 0.00 0.00 178.44 176.51 2o8h s TYR 576 N -5.44 3.63 0.20 1.25 4.12 -0.00 -4.99 117.35 116.12 2o8h s TYR 576 Ca -0.16 -2.57 -0.08 0.00 0.02 0.00 0.00 57.07 54.28 2o8h s TYR 576 Cb 0.03 -3.08 0.13 0.00 -1.52 0.00 0.00 41.96 37.52 2o8h s TYR 576 CO 0.57 -0.96 1.70 0.66 0.02 0.00 0.00 175.55 177.54 2o8h h SER 577 N 7.91 1.05 -3.85 2.29 4.64 -1.78 -3.37 113.55 120.44 2o8h h SER 577 Ca -0.11 -0.25 -0.68 0.00 -0.47 0.00 0.00 61.79 60.28 2o8h h SER 577 Cb 1.04 -0.28 -0.20 0.00 -0.31 0.00 0.00 62.40 62.65 2o8h h SER 577 CO 0.63 1.04 -0.79 -0.89 -0.87 0.00 0.00 176.83 175.95 2o8h s THR 578 N -5.19 2.90 -1.36 2.95 2.01 -1.26 -4.70 115.64 110.99 2o8h s THR 578 Ca -0.12 -1.26 -0.08 0.00 0.31 0.00 0.00 61.69 60.54 2o8h s THR 578 Cb 0.14 -2.26 0.00 0.00 0.01 0.00 0.00 72.50 70.40 2o8h s THR 578 CO 0.85 0.26 0.44 -1.20 -0.69 0.00 0.00 174.62 174.27 2o8h n SER 579 N 1.28 -1.46 0.04 3.53 7.64 -1.26 -4.79 113.62 118.59 2o8h n SER 579 Ca -0.16 -1.10 -0.11 0.00 1.01 0.00 0.00 58.87 58.51 2o8h n SER 579 Cb 0.52 -2.65 -0.05 0.00 -1.01 0.00 0.00 64.21 61.03 2o8h n SER 579 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2o8h h THR 580 N -1.95 0.77 -0.18 0.44 2.02 -1.84 -1.93 112.91 110.23 2o8h h THR 580 Ca -0.65 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 66.36 2o8h h THR 580 Cb 1.38 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 68.55 2o8h h THR 580 CO 0.60 0.00 -0.56 0.24 0.37 0.00 0.00 175.52 176.17 2o8h h MET 581 N -0.15 0.56 -0.43 6.66 0.00 -1.89 -2.79 114.93 116.88 2o8h h MET 581 Ca 0.04 -0.36 -0.10 0.00 0.00 0.00 0.00 59.70 59.29 2o8h h MET 581 Cb 0.20 0.04 -0.01 0.00 0.00 0.00 0.00 31.60 31.83 2o8h h MET 581 CO -0.11 0.97 -0.11 0.93 0.00 0.00 0.00 176.91 178.59 2o8h h GLU 582 N 0.43 0.84 -0.78 1.72 3.07 -1.79 0.62 114.58 118.68 2o8h h GLU 582 Ca 0.01 -0.33 0.06 0.00 -0.50 0.00 0.00 59.36 58.60 2o8h h GLU 582 Cb 1.11 -0.05 -0.06 0.00 -0.84 0.00 0.00 28.75 28.91 2o8h h GLU 582 CO 0.11 0.96 0.47 1.96 -1.40 0.00 0.00 179.01 181.10 2o8h h GLN 583 N 0.66 0.83 -0.71 2.33 4.20 -1.35 -2.29 115.11 118.77 2o8h h GLN 583 Ca 0.11 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.70 2o8h h GLN 583 Cb 0.65 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 28.22 2o8h h GLN 583 CO 0.04 0.55 0.18 1.25 -0.67 0.00 0.00 178.83 180.18 2o8h h HIS 584 N 0.85 1.19 -0.58 2.96 2.76 -1.09 -1.41 115.15 119.84 2o8h h HIS 584 Ca 0.35 -0.14 -0.01 0.00 -2.20 0.00 0.00 60.37 58.37 2o8h h HIS 584 Cb 0.18 -0.34 -0.03 0.00 1.55 0.00 0.00 27.41 28.78 2o8h h HIS 584 CO -0.05 0.96 0.33 0.45 -1.30 0.00 0.00 177.93 178.32 2o8h h HIS 585 N 1.07 0.77 -0.48 5.26 3.86 -0.51 -0.47 115.15 124.66 2o8h h HIS 585 Ca 0.22 -0.01 -0.08 0.00 -1.16 0.00 0.00 60.37 59.35 2o8h h HIS 585 Cb 0.36 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.57 2o8h h HIS 585 CO 0.03 0.55 0.00 0.35 0.86 0.00 0.00 177.93 179.72 2o8h h PHE 586 N 0.78 0.92 -0.75 2.45 3.57 -1.25 -0.28 116.94 122.36 2o8h h PHE 586 Ca 0.20 -0.16 0.05 0.00 3.53 0.00 0.00 57.97 61.60 2o8h h PHE 586 Cb 0.01 -0.24 -0.05 0.00 2.79 0.00 0.00 35.95 38.46 2o8h h PHE 586 CO -0.02 0.87 0.45 1.03 -2.23 0.00 0.00 178.31 178.42 2o8h h SER 587 N 0.70 0.71 0.17 0.41 0.87 -0.82 -1.07 113.55 114.52 2o8h h SER 587 Ca 0.14 0.02 -0.07 0.00 -1.23 0.00 0.00 61.79 60.64 2o8h h SER 587 Cb 0.50 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.32 2o8h h SER 587 CO 0.02 0.47 -0.25 1.56 -0.53 0.00 0.00 176.83 178.10 2o8h h GLN 588 N 0.85 0.16 -0.30 2.24 1.08 -0.91 -1.46 115.11 116.77 2o8h h GLN 588 Ca 0.32 -0.05 -0.05 0.00 -1.45 0.00 0.00 58.65 57.42 2o8h h GLN 588 Cb 0.13 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.54 2o8h h GLN 588 CO -0.16 0.41 -0.01 1.15 -0.95 0.00 0.00 178.83 179.27 2o8h h THR 589 N 0.15 1.26 -0.63 -0.54 2.02 0.08 -1.52 112.91 113.72 2o8h h THR 589 Ca 0.02 -0.97 -0.08 0.00 0.77 0.00 0.00 66.41 66.15 2o8h h THR 589 Cb 0.54 1.30 -0.02 0.00 -1.74 0.00 0.00 68.15 68.22 2o8h h THR 589 CO 0.04 0.31 0.07 0.58 0.37 0.00 0.00 175.52 176.89 2o8h h VAL 590 N 0.33 1.26 -0.46 3.16 2.07 -1.10 -1.25 116.25 120.26 2o8h h VAL 590 Ca 0.08 -1.06 -0.05 0.00 0.82 0.00 0.00 66.70 66.49 2o8h h VAL 590 Cb 0.45 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 2o8h h VAL 590 CO 0.02 0.39 0.08 0.28 0.02 0.00 0.00 177.57 178.36 2o8h h SER 591 N 0.99 0.72 -0.74 0.57 0.02 -1.15 -1.96 113.55 112.00 2o8h h SER 591 Ca 0.19 -0.25 0.05 0.00 -0.84 0.00 0.00 61.79 60.93 2o8h h SER 591 Cb 0.47 -0.19 -0.05 0.00 0.14 0.00 0.00 62.40 62.77 2o8h h SER 591 CO 0.02 0.79 0.45 0.40 -1.14 0.00 0.00 176.83 177.35 2o8h h ILE 592 N 0.62 1.05 -0.17 3.27 2.04 -0.64 -2.69 117.51 121.00 2o8h h ILE 592 Ca 0.14 -0.29 -0.04 0.00 1.00 0.00 0.00 64.86 65.67 2o8h h ILE 592 Cb 0.37 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 2o8h h ILE 592 CO 0.01 0.16 -0.07 -0.07 0.00 0.00 0.00 178.15 178.17 2o8h h LEU 593 N 0.86 0.23 -0.03 1.44 3.38 -0.87 -2.76 115.31 117.56 2o8h h LEU 593 Ca 0.31 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.25 2o8h h LEU 593 Cb 0.10 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2o8h h LEU 593 CO -0.14 0.34 -0.21 0.00 0.09 0.00 0.00 178.44 178.52 2o8h n GLN 594 N -4.32 0.08 -2.23 1.13 6.02 -0.77 -3.11 117.38 114.18 2o8h n GLN 594 Ca -0.01 -0.03 -0.40 0.00 -0.01 0.00 0.00 57.00 56.55 2o8h n GLN 594 Cb 0.23 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.96 2o8h n GLN 594 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2o8h s LEU 595 N -2.93 4.43 0.12 1.08 2.96 -1.04 -4.93 118.68 118.37 2o8h s LEU 595 Ca 0.15 2.53 -0.31 0.00 -0.22 0.00 0.00 54.13 56.28 2o8h s LEU 595 Cb 0.19 -3.69 -0.08 0.00 0.50 0.00 0.00 46.19 43.10 2o8h s LEU 595 CO 0.59 -0.45 1.39 -1.61 -1.32 0.00 0.00 176.35 174.95 2o8h s GLU 596 N -1.76 4.32 0.00 1.98 2.02 -1.26 -1.42 118.70 122.58 2o8h s GLU 596 Ca 0.49 2.09 0.00 0.00 0.02 0.00 0.00 54.97 57.57 2o8h s GLU 596 Cb -0.37 -3.24 0.00 0.00 0.10 0.00 0.00 34.13 30.63 2o8h s GLU 596 CO 0.48 -0.44 0.00 0.41 0.02 0.00 0.00 175.26 175.73 2o8h n GLY 597 N 3.44 0.77 0.56 -1.39 0.00 -1.26 -4.94 105.19 102.37 2o8h n GLY 597 Ca 0.11 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.21 2o8h n GLY 597 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2o8h n HIS 598 N -2.00 0.00 -2.46 1.61 8.25 -0.50 -4.70 115.22 115.42 2o8h n HIS 598 Ca 0.00 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.07 2o8h n HIS 598 Cb 0.00 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.09 2o8h n HIS 598 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 2o8h s ASN 599 N -1.40 6.34 0.64 0.41 3.84 -1.18 -4.61 114.94 118.97 2o8h s ASN 599 Ca 0.17 -1.86 0.41 0.00 0.21 0.00 0.00 52.86 51.79 2o8h s ASN 599 Cb 0.13 -2.58 2.19 0.00 -0.55 0.00 0.00 41.25 40.44 2o8h s ASN 599 CO 0.23 -1.67 2.30 0.16 -2.79 0.00 0.00 177.10 175.33 2o8h h ILE 600 N 6.21 0.09 -0.47 -5.21 3.07 -1.88 -1.66 117.51 117.67 2o8h h ILE 600 Ca 0.30 -0.09 0.00 0.00 1.55 0.00 0.00 64.86 66.62 2o8h h ILE 600 Cb 0.94 1.08 0.00 0.00 -0.27 0.00 0.00 36.82 38.57 2o8h h ILE 600 CO 1.40 0.01 0.00 0.49 -1.05 0.00 0.00 178.15 178.99 2o8h n PHE 601 N -3.20 0.63 0.21 0.16 0.99 -1.26 -4.53 117.46 110.45 2o8h n PHE 601 Ca -0.02 -0.31 0.08 0.00 -0.00 0.00 0.00 57.45 57.19 2o8h n PHE 601 Cb 0.11 -0.00 0.61 0.00 -1.00 0.00 0.00 39.48 39.20 2o8h n PHE 601 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 2o8h h SER 602 N 2.72 0.07 0.00 4.37 4.64 -1.70 -2.09 113.55 121.56 2o8h h SER 602 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2o8h h SER 602 Cb 0.63 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 2o8h h SER 602 CO 0.00 0.05 0.00 0.35 -0.87 0.00 0.00 176.83 176.36 2o8h n THR 603 N -4.53 0.00 -4.06 2.95 -2.24 -1.26 -4.77 114.28 100.37 2o8h n THR 603 Ca -0.02 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.44 2o8h n THR 603 Cb 0.10 -0.76 -0.06 0.00 -2.10 0.00 0.00 70.33 67.51 2o8h n THR 603 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2o8h s LEU 604 N -1.97 3.95 0.73 3.22 2.96 -0.79 -5.09 118.68 121.70 2o8h s LEU 604 Ca 0.21 0.13 -0.16 0.00 -0.22 0.00 0.00 54.13 54.09 2o8h s LEU 604 Cb 0.10 -2.42 0.02 0.00 0.50 0.00 0.00 46.19 44.39 2o8h s LEU 604 CO 0.16 0.23 1.04 -1.54 -1.32 0.00 0.00 176.35 174.92 2o8h n SER 605 N 0.89 0.71 -0.37 3.68 3.41 -1.26 -4.77 113.62 115.91 2o8h n SER 605 Ca -0.11 0.66 0.01 0.00 -0.26 0.00 0.00 58.87 59.17 2o8h n SER 605 Cb 0.52 -1.44 0.15 0.00 -0.26 0.00 0.00 64.21 63.18 2o8h n SER 605 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2o8h h SER 606 N -0.31 1.07 -0.09 4.04 0.02 -1.97 0.33 113.55 116.64 2o8h h SER 606 Ca -0.47 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.46 2o8h h SER 606 Cb 1.33 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 63.63 2o8h h SER 606 CO 0.47 0.72 0.01 0.28 -1.14 0.00 0.00 176.83 177.17 2o8h h SER 607 N 1.23 0.15 -0.59 3.07 0.02 -1.99 -1.52 113.55 113.92 2o8h h SER 607 Ca 0.40 -0.27 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 2o8h h SER 607 Cb 0.04 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 2o8h h SER 607 CO -0.14 0.38 0.34 -0.33 -1.14 0.00 0.00 176.83 175.94 2o8h h GLU 608 N -0.09 0.84 0.66 3.45 5.08 -1.82 -0.87 114.58 121.84 2o8h h GLU 608 Ca 0.03 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 2o8h h GLU 608 Cb 0.30 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2o8h h GLU 608 CO 0.00 0.62 -0.45 -0.92 -1.00 0.00 0.00 179.01 177.27 2o8h h TYR 609 N 0.85 -1.20 -0.91 4.33 3.20 -0.80 -0.84 116.97 121.61 2o8h h TYR 609 Ca 0.22 -0.01 0.19 0.00 3.14 0.00 0.00 58.73 62.27 2o8h h TYR 609 Cb 0.02 0.44 -0.07 0.00 1.54 0.00 0.00 36.73 38.66 2o8h h TYR 609 CO 0.01 -0.65 0.59 0.93 -1.64 0.00 0.00 178.16 177.40 2o8h h GLU 610 N -1.05 0.48 -0.09 1.82 5.08 -1.12 -1.17 114.58 118.54 2o8h h GLU 610 Ca -0.09 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 2o8h h GLU 610 Cb 0.85 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.99 2o8h h GLU 610 CO 0.06 0.32 -0.02 0.37 -1.00 0.00 0.00 179.01 178.74 2o8h h GLN 611 N 0.50 0.17 -0.59 2.33 4.15 -0.85 -2.05 115.11 118.76 2o8h h GLN 611 Ca 0.47 -0.07 -0.07 0.00 0.77 0.00 0.00 58.65 59.76 2o8h h GLN 611 Cb 1.05 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.71 2o8h h GLN 611 CO -0.20 0.49 0.08 -0.24 -1.93 0.00 0.00 178.83 177.03 2o8h h VAL 612 N -0.17 1.25 -0.17 2.39 3.04 -0.47 -0.60 116.25 121.52 2o8h h VAL 612 Ca 0.02 -0.98 -0.07 0.00 -1.01 0.00 0.00 66.70 64.66 2o8h h VAL 612 Cb 0.43 0.71 -0.01 0.00 -2.01 0.00 0.00 31.29 30.41 2o8h h VAL 612 CO 0.01 0.36 -0.21 -0.07 -1.01 0.00 0.00 177.57 176.65 2o8h h LEU 613 N 0.90 0.30 -0.34 3.16 -0.00 -1.20 0.16 115.31 118.29 2o8h h LEU 613 Ca 0.18 -0.08 -0.19 0.00 -0.00 0.00 0.00 57.88 57.78 2o8h h LEU 613 Cb 0.41 -0.08 -0.00 0.00 -0.00 0.00 0.00 40.66 40.99 2o8h h LEU 613 CO 0.01 0.53 -0.76 -0.08 -0.00 0.00 0.00 178.44 178.14 2o8h h GLU 614 N 0.28 0.47 -0.11 1.13 4.57 -0.92 0.77 114.58 120.76 2o8h h GLU 614 Ca 0.05 -0.39 -0.01 0.00 -1.18 0.00 0.00 59.36 57.83 2o8h h GLU 614 Cb 0.54 0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 29.21 2o8h h GLU 614 CO 0.04 1.03 0.04 0.82 -1.18 0.00 0.00 179.01 179.76 2o8h h ILE 615 N 0.31 1.16 -0.78 2.32 2.04 -0.65 -2.21 117.51 119.70 2o8h h ILE 615 Ca -0.04 -0.48 0.05 0.00 1.00 0.00 0.00 64.86 65.38 2o8h h ILE 615 Cb 1.35 1.28 -0.05 0.00 -0.74 0.00 0.00 36.82 38.65 2o8h h ILE 615 CO 0.14 0.14 0.48 0.40 0.00 0.00 0.00 178.15 179.31 2o8h h ILE 616 N 0.01 1.05 -0.22 -0.67 2.04 -0.65 -2.25 117.51 116.82 2o8h h ILE 616 Ca 0.04 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.58 2o8h h ILE 616 Cb 0.19 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.33 2o8h h ILE 616 CO -0.00 0.16 0.12 -0.09 0.00 0.00 0.00 178.15 178.34 2o8h h ARG 617 N 0.90 0.30 -0.35 2.37 2.43 -0.68 -1.42 114.38 117.94 2o8h h ARG 617 Ca 0.33 -0.03 -0.14 0.00 -0.81 0.00 0.00 59.98 59.33 2o8h h ARG 617 Cb 0.11 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 2o8h h ARG 617 CO -0.15 0.28 -0.33 0.87 -1.51 0.00 0.00 179.97 179.13 2o8h h LYS 618 N 0.25 0.77 -0.39 0.20 1.57 -1.30 -1.72 116.57 115.95 2o8h h LYS 618 Ca 0.08 -0.36 -0.08 0.00 -1.87 0.00 0.00 60.65 58.41 2o8h h LYS 618 Cb 0.06 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 2o8h h LYS 618 CO -0.01 0.99 -0.09 0.00 -0.57 0.00 0.00 179.45 179.76 2o8h h ALA 619 N 0.98 0.53 -0.24 3.86 0.00 -1.26 -0.77 119.26 122.36 2o8h h ALA 619 Ca 0.07 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 2o8h h ALA 619 Cb 0.87 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2o8h h ALA 619 CO 0.08 0.39 0.07 0.82 0.00 0.00 0.00 179.25 180.61 2o8h h ILE 620 N 0.56 1.20 -0.74 0.00 2.04 -1.17 -2.64 117.51 116.75 2o8h h ILE 620 Ca 0.10 -0.63 -0.01 0.00 1.00 0.00 0.00 64.86 65.32 2o8h h ILE 620 Cb 0.60 1.16 -0.04 0.00 -0.74 0.00 0.00 36.82 37.81 2o8h h ILE 620 CO 0.04 0.20 0.41 0.40 0.00 0.00 0.00 178.15 179.21 2o8h h ILE 621 N 0.22 1.22 0.00 -0.67 1.08 -1.26 -1.68 117.51 116.41 2o8h h ILE 621 Ca 0.08 -0.52 -0.00 0.00 -0.39 0.00 0.00 64.86 64.03 2o8h h ILE 621 Cb 0.25 0.21 -0.00 0.00 -3.07 0.00 0.00 36.82 34.20 2o8h h ILE 621 CO -0.00 0.24 -0.01 0.00 -0.69 0.00 0.00 178.15 177.68 2o8h h ALA 622 N 1.43 1.04 0.00 1.87 0.00 -0.77 -1.77 119.26 121.06 2o8h h ALA 622 Ca 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2o8h h ALA 622 Cb 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2o8h h ALA 622 CO -0.04 0.01 0.00 0.25 0.00 0.00 0.00 179.25 179.47 2o8h n THR 623 N -3.16 1.03 -1.95 0.00 -2.24 -0.63 -4.51 114.28 102.82 2o8h n THR 623 Ca -0.02 0.26 -0.41 0.00 -2.27 0.00 0.00 64.05 61.61 2o8h n THR 623 Cb 0.16 -1.02 -0.03 0.00 -2.10 0.00 0.00 70.33 67.34 2o8h n THR 623 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2o8h s ASP 624 N -2.99 5.55 0.58 3.42 -1.08 -0.67 -4.86 116.67 116.63 2o8h s ASP 624 Ca 0.07 1.02 0.27 0.00 -0.52 0.00 0.00 52.55 53.39 2o8h s ASP 624 Cb 0.09 -2.52 1.67 0.00 -1.46 0.00 0.00 42.92 40.70 2o8h s ASP 624 CO 0.25 -2.03 2.17 0.25 0.52 0.00 0.00 175.17 176.33 2o8h h LEU 625 N 15.11 0.00 -1.06 -1.34 5.85 -1.89 -1.42 115.31 130.55 2o8h h LEU 625 Ca -0.31 0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.51 2o8h h LEU 625 Cb 1.18 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.14 2o8h h LEU 625 CO 1.10 0.00 0.62 0.00 -0.34 0.00 0.00 178.44 179.82 2o8h h ALA 626 N 1.90 1.52 0.00 1.25 0.00 -1.93 -1.70 119.26 120.30 2o8h h ALA 626 Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2o8h h ALA 626 Cb 0.23 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 2o8h h ALA 626 CO -0.00 0.28 -0.11 -0.07 0.00 0.00 0.00 179.25 179.35 2o8h h LEU 627 N 1.02 0.00 -1.21 0.00 3.38 -1.59 -3.28 115.31 113.63 2o8h h LEU 627 Ca 0.46 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.38 2o8h h LEU 627 Cb 0.37 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 2o8h h LEU 627 CO -0.21 0.11 0.07 0.22 0.09 0.00 0.00 178.44 178.72 2o8h h TYR 628 N 0.00 0.63 -0.28 1.13 3.20 -1.38 -2.56 116.97 117.71 2o8h h TYR 628 Ca -0.00 -0.05 -0.04 0.00 3.14 0.00 0.00 58.73 61.78 2o8h h TYR 628 Cb 0.53 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 2o8h h TYR 628 CO 0.00 0.56 0.02 0.74 -1.64 0.00 0.00 178.16 177.84 2o8h h PHE 629 N 0.60 0.52 -0.72 -3.82 0.04 -1.69 0.43 116.94 112.30 2o8h h PHE 629 Ca 0.13 -0.08 -0.06 0.00 2.80 0.00 0.00 57.97 60.76 2o8h h PHE 629 Cb 0.27 -0.14 -0.03 0.00 2.20 0.00 0.00 35.95 38.26 2o8h h PHE 629 CO 0.01 0.61 0.22 0.78 -0.60 0.00 0.00 178.31 179.33 2o8h h GLY 630 N 0.28 1.20 0.98 -1.45 0.00 -1.76 -2.34 103.07 99.98 2o8h h GLY 630 Ca 0.08 -0.71 -0.06 0.00 0.00 0.00 0.00 47.33 46.64 2o8h h GLY 630 CO 0.01 0.67 0.07 -0.57 0.00 0.00 0.00 176.54 176.72 2o8h h ASN 631 N 1.06 0.77 -0.31 0.19 -1.24 -1.03 -1.98 115.58 113.02 2o8h h ASN 631 Ca 0.23 -0.27 -0.17 0.00 0.71 0.00 0.00 56.30 56.81 2o8h h ASN 631 Cb 0.31 -0.20 -0.00 0.00 0.73 0.00 0.00 38.32 39.15 2o8h h ASN 631 CO -0.01 0.84 -0.44 -0.09 -1.29 0.00 0.00 177.43 176.44 2o8h h ARG 632 N 0.66 0.88 -0.30 6.67 1.12 -0.87 -1.44 114.38 121.11 2o8h h ARG 632 Ca 0.14 -0.49 -0.00 0.00 -1.11 0.00 0.00 59.98 58.52 2o8h h ARG 632 Cb 0.40 0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 30.38 2o8h h ARG 632 CO 0.01 1.14 0.18 -0.22 -3.11 0.00 0.00 179.97 177.97 2o8h h LYS 633 N 0.71 0.40 -0.52 0.20 3.64 -1.33 -0.06 116.57 119.61 2o8h h LYS 633 Ca 0.04 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2o8h h LYS 633 Cb 1.03 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.74 2o8h h LYS 633 CO 0.10 0.31 0.34 1.96 -2.27 0.00 0.00 179.45 179.89 2o8h h GLN 634 N 0.38 0.70 -0.58 1.90 1.08 -1.17 -2.47 115.11 114.94 2o8h h GLN 634 Ca 0.11 -0.05 -0.07 0.00 -1.45 0.00 0.00 58.65 57.19 2o8h h GLN 634 Cb 0.01 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.26 2o8h h GLN 634 CO -0.02 0.48 0.08 -0.07 -0.95 0.00 0.00 178.83 178.35 2o8h h LEU 635 N 0.71 0.89 -0.85 1.46 3.38 -1.10 -2.30 115.31 117.50 2o8h h LEU 635 Ca 0.19 -0.20 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 2o8h h LEU 635 Cb -0.06 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 2o8h h LEU 635 CO -0.04 0.90 -0.25 -0.08 0.09 0.00 0.00 178.44 179.06 2o8h h GLU 636 N 0.88 0.58 -0.30 1.13 4.57 -0.85 0.08 114.58 120.67 2o8h h GLU 636 Ca 0.18 -0.22 -0.18 0.00 -1.18 0.00 0.00 59.36 57.96 2o8h h GLU 636 Cb 0.40 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.96 2o8h h GLU 636 CO 0.01 0.78 -0.52 1.49 -1.18 0.00 0.00 179.01 179.59 2o8h h GLU 637 N 0.51 0.86 -0.44 1.92 4.81 -1.25 -2.60 114.58 118.38 2o8h h GLU 637 Ca 0.07 -0.53 0.02 0.00 -0.13 0.00 0.00 59.36 58.80 2o8h h GLU 637 Cb 0.70 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.10 2o8h h GLU 637 CO 0.05 1.16 0.26 0.52 -0.73 0.00 0.00 179.01 180.28 2o8h h MET 638 N 0.67 0.51 0.02 1.92 2.86 -1.16 -1.34 114.93 118.42 2o8h h MET 638 Ca 0.02 -0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.66 2o8h h MET 638 Cb 1.12 -0.12 -0.05 0.00 0.06 0.00 0.00 31.60 32.61 2o8h h MET 638 CO 0.12 0.34 -0.33 -0.92 1.06 0.00 0.00 176.91 177.18 2o8h h TYR 639 N 0.53 -0.91 -0.04 -0.22 3.20 -0.89 0.62 116.97 119.25 2o8h h TYR 639 Ca 0.18 0.03 -0.15 0.00 3.14 0.00 0.00 58.73 61.93 2o8h h TYR 639 Cb 0.01 0.40 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 2o8h h TYR 639 CO -0.07 -0.42 -0.63 1.96 -1.64 0.00 0.00 178.16 177.35 2o8h h GLN 640 N -0.50 0.15 -0.01 1.82 4.20 -1.33 -1.80 115.11 117.64 2o8h h GLN 640 Ca 0.05 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.65 2o8h h GLN 640 Cb 0.57 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.37 2o8h h GLN 640 CO -0.26 0.73 -0.07 0.25 -0.67 0.00 0.00 178.83 178.82 2o8h n THR 641 N -3.83 0.00 -1.65 -0.54 -2.24 -0.52 -4.93 114.28 100.58 2o8h n THR 641 Ca -0.02 -0.13 -0.14 0.00 -2.27 0.00 0.00 64.05 61.50 2o8h n THR 641 Cb 0.63 0.11 -0.04 0.00 -2.10 0.00 0.00 70.33 68.93 2o8h n THR 641 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2o8h n GLY 642 N 1.19 0.96 0.06 3.38 0.00 -0.59 -4.93 105.19 105.26 2o8h n GLY 642 Ca 0.18 -0.36 0.12 0.00 0.00 0.00 0.00 46.02 45.95 2o8h n GLY 642 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2o8h n SER 643 N -0.34 0.80 -4.72 1.61 3.41 0.11 -4.94 113.62 109.55 2o8h n SER 643 Ca -0.15 -0.62 -0.42 0.00 -0.26 0.00 0.00 58.87 57.42 2o8h n SER 643 Cb 0.50 0.46 -0.03 0.00 -0.26 0.00 0.00 64.21 64.88 2o8h n SER 643 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2o8h n LEU 644 N -1.30 4.01 -3.69 1.04 7.94 -1.15 -4.98 117.00 118.88 2o8h n LEU 644 Ca 0.06 1.07 -0.29 0.00 -1.11 0.00 0.00 56.01 55.75 2o8h n LEU 644 Cb 0.34 -1.57 -0.15 0.00 0.53 0.00 0.00 43.42 42.57 2o8h n LEU 644 CO 0.36 0.16 -0.34 0.21 -1.11 0.00 0.00 177.39 176.66 2o8h s ASN 645 N 1.06 3.54 0.16 1.96 3.84 -1.26 -4.98 114.94 119.25 2o8h s ASN 645 Ca 0.74 -1.28 0.21 0.00 0.21 0.00 0.00 52.86 52.73 2o8h s ASN 645 Cb -0.51 -0.65 0.86 0.00 -0.55 0.00 0.00 41.25 40.40 2o8h s ASN 645 CO 0.35 -0.39 1.64 0.18 -2.79 0.00 0.00 177.10 176.09 2o8h n LEU 646 N 5.01 0.44 0.14 3.21 4.77 -1.26 -1.24 117.00 128.06 2o8h n LEU 646 Ca -0.05 0.60 0.13 0.00 -0.03 0.00 0.00 56.01 56.66 2o8h n LEU 646 Cb 0.44 -0.54 0.47 0.00 -2.33 0.00 0.00 43.42 41.46 2o8h n LEU 646 CO 0.10 -0.43 0.87 0.45 -1.33 0.00 0.00 177.39 177.06 2o8h h HIS 647 N 0.00 0.00 -3.82 -1.77 3.86 -2.00 -3.44 115.15 107.98 2o8h h HIS 647 Ca 0.00 0.00 -0.64 0.00 -1.16 0.00 0.00 60.37 58.57 2o8h h HIS 647 Cb 0.34 0.00 -0.17 0.00 1.06 0.00 0.00 27.41 28.65 2o8h h HIS 647 CO 0.00 0.00 -0.42 1.21 0.86 0.00 0.00 177.93 179.58 2o8h s ASN 648 N -4.49 6.10 0.22 2.45 3.04 -0.38 -4.99 114.94 116.88 2o8h s ASN 648 Ca 0.06 0.01 -0.08 0.00 0.04 0.00 0.00 52.86 52.89 2o8h s ASN 648 Cb 0.10 -2.15 0.17 0.00 -1.54 0.00 0.00 41.25 37.83 2o8h s ASN 648 CO 0.48 -0.13 1.82 -0.61 -3.04 0.00 0.00 177.10 175.62 2o8h h GLN 649 N 8.34 1.17 -0.72 0.43 5.75 -1.85 -0.67 115.11 127.55 2o8h h GLN 649 Ca -0.33 -0.16 0.04 0.00 -0.15 0.00 0.00 58.65 58.05 2o8h h GLN 649 Cb 1.18 -0.22 -0.04 0.00 1.07 0.00 0.00 27.48 29.47 2o8h h GLN 649 CO 0.59 0.89 0.48 0.66 -2.65 0.00 0.00 178.83 178.80 2o8h h SER 650 N 1.16 0.73 -0.15 -0.69 4.64 -1.94 -1.17 113.55 116.14 2o8h h SER 650 Ca 0.28 -0.01 -0.11 0.00 -0.47 0.00 0.00 61.79 61.49 2o8h h SER 650 Cb 0.09 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 2o8h h SER 650 CO -0.04 0.50 -0.35 0.45 -0.87 0.00 0.00 176.83 176.52 2o8h h HIS 651 N 0.85 0.63 -0.92 4.77 3.86 -1.50 -3.06 115.15 119.78 2o8h h HIS 651 Ca 0.29 -0.24 0.17 0.00 -1.16 0.00 0.00 60.37 59.43 2o8h h HIS 651 Cb 0.11 -0.11 -0.10 0.00 1.06 0.00 0.00 27.41 28.36 2o8h h HIS 651 CO -0.00 0.97 0.51 0.00 0.86 0.00 0.00 177.93 180.27 2o8h h ARG 652 N 0.11 0.66 -0.66 2.45 3.08 -0.78 -1.73 114.38 117.51 2o8h h ARG 652 Ca -0.00 -0.04 0.05 0.00 0.07 0.00 0.00 59.98 60.06 2o8h h ARG 652 Cb 0.96 -0.15 -0.05 0.00 0.08 0.00 0.00 29.97 30.80 2o8h h ARG 652 CO 0.08 0.44 0.38 -0.44 -1.07 0.00 0.00 179.97 179.35 2o8h h ASP 653 N 0.68 0.57 -0.28 7.04 3.32 -1.15 -1.19 116.42 125.41 2o8h h ASP 653 Ca 0.52 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.59 2o8h h ASP 653 Cb 0.78 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.23 2o8h h ASP 653 CO -0.38 0.37 0.14 0.03 -1.72 0.00 0.00 179.24 177.68 2o8h h ARG 654 N 0.70 0.40 -0.57 3.56 3.08 -1.24 -1.29 114.38 119.01 2o8h h ARG 654 Ca 0.29 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.28 2o8h h ARG 654 Cb 0.16 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 2o8h h ARG 654 CO -0.17 0.38 0.35 0.28 -1.07 0.00 0.00 179.97 179.73 2o8h h VAL 655 N 0.32 1.17 -0.43 2.04 2.07 -0.98 -0.16 116.25 120.27 2o8h h VAL 655 Ca 0.10 -0.37 -0.06 0.00 0.82 0.00 0.00 66.70 67.19 2o8h h VAL 655 Cb 0.11 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 2o8h h VAL 655 CO -0.01 0.17 0.03 0.40 0.02 0.00 0.00 177.57 178.18 2o8h h ILE 656 N 0.77 1.22 -0.46 4.57 2.04 -1.15 0.44 117.51 124.93 2o8h h ILE 656 Ca 0.20 -0.87 -0.02 0.00 1.00 0.00 0.00 64.86 65.18 2o8h h ILE 656 Cb -0.02 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 2o8h h ILE 656 CO -0.04 0.31 0.21 1.23 0.00 0.00 0.00 178.15 179.86 2o8h h GLY 657 N 0.92 0.73 1.19 5.37 0.00 -0.30 0.31 103.07 111.28 2o8h h GLY 657 Ca 0.14 -0.38 -0.10 0.00 0.00 0.00 0.00 47.33 46.99 2o8h h GLY 657 CO 0.01 0.36 -0.07 -2.00 0.00 0.00 0.00 176.54 174.83 2o8h h LEU 658 N 0.61 0.95 -0.66 3.11 5.85 -0.68 -1.78 115.31 122.71 2o8h h LEU 658 Ca 0.16 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.59 2o8h h LEU 658 Cb 0.15 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 2o8h h LEU 658 CO -0.02 1.04 0.42 0.24 -0.34 0.00 0.00 178.44 179.79 2o8h h MET 659 N 0.86 0.87 -0.80 1.25 2.86 -0.17 -0.75 114.93 119.06 2o8h h MET 659 Ca 0.14 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.70 2o8h h MET 659 Cb 0.61 -0.19 -0.04 0.00 0.06 0.00 0.00 31.60 32.04 2o8h h MET 659 CO 0.04 0.59 0.42 0.52 1.06 0.00 0.00 176.91 179.55 2o8h h MET 660 N 0.89 1.12 -0.17 1.72 2.86 0.07 -1.63 114.93 119.78 2o8h h MET 660 Ca 0.24 -0.14 0.01 0.00 -2.06 0.00 0.00 59.70 57.75 2o8h h MET 660 Cb -0.08 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.36 2o8h h MET 660 CO -0.05 0.84 0.09 1.15 1.06 0.00 0.00 176.91 179.99 2o8h h THR 661 N 1.11 1.00 -0.98 2.22 2.02 -1.08 -0.75 112.91 116.45 2o8h h THR 661 Ca 0.28 -0.06 0.02 0.00 0.77 0.00 0.00 66.41 67.42 2o8h h THR 661 Cb 0.05 0.80 -0.05 0.00 -1.74 0.00 0.00 68.15 67.21 2o8h h THR 661 CO -0.04 0.03 0.64 0.00 0.37 0.00 0.00 175.52 176.53 2o8h h ALA 662 N 1.08 1.33 -0.07 6.16 0.00 -0.76 -0.63 119.26 126.38 2o8h h ALA 662 Ca 0.07 -0.06 -0.23 0.00 0.00 0.00 0.00 54.91 54.69 2o8h h ALA 662 Cb 0.01 -0.37 0.02 0.00 0.00 0.00 0.00 17.79 17.44 2o8h h ALA 662 CO -0.04 0.60 -0.86 0.00 0.00 0.00 0.00 179.25 178.94 2o8h h ASP 664 N 0.39 0.46 -0.26 0.00 3.58 -0.66 -2.60 116.42 117.33 2o8h h ASP 664 Ca -0.09 -0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.25 2o8h h ASP 664 Cb 1.51 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 42.44 2o8h h ASP 664 CO 0.17 0.60 0.00 0.18 -2.88 0.00 0.00 179.24 177.31 2o8h n LEU 665 N -4.23 1.69 0.00 2.28 4.77 -0.29 -4.64 117.00 116.59 2o8h n LEU 665 Ca 0.01 -0.79 0.04 0.00 -0.03 0.00 0.00 56.01 55.23 2o8h n LEU 665 Cb 0.30 -0.17 0.19 0.00 -2.33 0.00 0.00 43.42 41.40 2o8h n LEU 665 CO 0.40 0.40 0.58 0.00 -1.33 0.00 0.00 177.39 177.43 2o8h h SER 667 N 0.00 0.12 0.13 0.00 4.64 -1.86 -0.63 113.55 115.96 2o8h h SER 667 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2o8h h SER 667 Cb 0.09 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 2o8h h SER 667 CO 0.00 0.05 -0.01 1.33 -0.87 0.00 0.00 176.83 177.33 2o8h n VAL 668 N -4.37 0.00 0.54 0.95 0.24 -0.97 -3.14 118.33 111.59 2o8h n VAL 668 Ca 0.16 -0.03 0.07 0.00 -2.04 0.00 0.00 64.34 62.50 2o8h n VAL 668 Cb 0.78 -0.35 0.06 0.00 -1.47 0.00 0.00 33.84 32.86 2o8h n VAL 668 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2o8h n THR 669 N -0.91 0.04 -1.94 3.34 -2.24 -0.25 -3.48 114.28 108.84 2o8h n THR 669 Ca 0.21 -0.52 -0.29 0.00 -2.27 0.00 0.00 64.05 61.17 2o8h n THR 669 Cb 0.18 1.26 0.16 0.00 -2.10 0.00 0.00 70.33 69.82 2o8h n THR 669 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2o8h s LYS 670 N -1.15 1.01 0.70 -0.78 -0.14 -1.19 -4.56 119.74 113.64 2o8h s LYS 670 Ca 0.17 -0.29 -0.13 0.00 -1.36 0.00 0.00 55.97 54.36 2o8h s LYS 670 Cb 0.12 -1.89 0.02 0.00 -1.68 0.00 0.00 37.83 34.40 2o8h s LYS 670 CO 0.17 -2.18 1.09 -0.51 -0.76 0.00 0.00 175.35 173.16 2o8h s LEU 671 N -5.79 3.23 0.23 3.17 1.43 -1.26 -4.73 118.68 114.96 2o8h s LEU 671 Ca 0.71 1.86 -0.06 0.00 -1.03 0.00 0.00 54.13 55.60 2o8h s LEU 671 Cb -0.06 -4.53 0.38 0.00 0.03 0.00 0.00 46.19 42.01 2o8h s LEU 671 CO 0.52 -1.71 1.76 -0.25 0.23 0.00 0.00 176.35 176.89 2o8h h TRP 672 N -0.48 0.58 -0.42 0.29 2.91 -1.96 -1.23 115.95 115.65 2o8h h TRP 672 Ca -0.45 0.03 -0.03 0.00 1.13 0.00 0.00 58.89 59.57 2o8h h TRP 672 Cb 1.23 -0.15 -0.02 0.00 -0.51 0.00 0.00 29.16 29.71 2o8h h TRP 672 CO 0.57 0.16 0.13 -1.35 -1.03 0.00 0.00 178.44 176.93 2o8h h PRO 673 N 0.54 0.60 -0.15 2.65 0.11 -1.99 0.01 132.00 133.77 2o8h h PRO 673 Ca 0.37 -0.09 -0.06 0.00 0.11 0.00 0.00 66.00 66.33 2o8h h PRO 673 Cb 0.46 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.46 2o8h h PRO 673 CO -0.32 0.53 -0.15 0.28 -0.21 0.00 0.00 178.00 178.14 2o8h h VAL 674 N 0.60 1.34 -0.01 3.15 2.07 -1.62 -2.99 116.25 118.79 2o8h h VAL 674 Ca 0.14 -1.30 -0.00 0.00 0.82 0.00 0.00 66.70 66.36 2o8h h VAL 674 Cb 0.18 1.86 -0.00 0.00 -1.52 0.00 0.00 31.29 31.82 2o8h h VAL 674 CO -0.01 0.38 0.00 0.74 0.02 0.00 0.00 177.57 178.71 2o8h h THR 675 N -0.00 1.04 -0.77 2.57 2.02 -1.00 -0.34 112.91 116.43 2o8h h THR 675 Ca 0.02 -0.12 0.04 0.00 0.77 0.00 0.00 66.41 67.12 2o8h h THR 675 Cb 0.68 1.11 -0.05 0.00 -1.74 0.00 0.00 68.15 68.15 2o8h h THR 675 CO 0.04 0.03 0.48 0.50 0.37 0.00 0.00 175.52 176.94 2o8h h LYS 676 N -0.04 0.90 -0.41 6.66 3.64 -1.11 -1.03 116.57 125.18 2o8h h LYS 676 Ca 0.00 -0.05 -0.15 0.00 -1.27 0.00 0.00 60.65 59.18 2o8h h LYS 676 Cb 0.05 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 2o8h h LYS 676 CO -0.00 0.60 -0.33 -0.07 -2.27 0.00 0.00 179.45 177.38 2o8h h LEU 677 N 0.93 0.99 -0.91 5.20 3.38 -1.33 -2.99 115.31 120.58 2o8h h LEU 677 Ca 0.32 -0.42 -0.10 0.00 0.09 0.00 0.00 57.88 57.76 2o8h h LEU 677 Cb 0.05 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 2o8h h LEU 677 CO -0.13 1.22 -0.29 0.74 0.09 0.00 0.00 178.44 180.07 2o8h h THR 678 N 0.78 1.27 -0.44 0.22 2.02 -0.74 -1.93 112.91 114.09 2o8h h THR 678 Ca 0.08 -1.33 0.09 0.00 0.77 0.00 0.00 66.41 66.02 2o8h h THR 678 Cb 0.91 1.41 -0.02 0.00 -1.74 0.00 0.00 68.15 68.71 2o8h h THR 678 CO 0.08 0.42 0.30 0.00 0.37 0.00 0.00 175.52 176.69 2o8h h ALA 679 N 1.30 2.15 -0.98 6.16 0.00 -1.05 -1.07 119.26 125.76 2o8h h ALA 679 Ca 0.05 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.97 2o8h h ALA 679 Cb 0.71 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 2o8h h ALA 679 CO 0.05 -0.25 0.65 -0.91 0.00 0.00 0.00 179.25 178.79 2o8h h ASN 680 N 0.20 1.11 0.39 0.00 2.35 -1.30 -1.93 115.58 116.41 2o8h h ASN 680 Ca 0.20 -0.02 -0.18 0.00 -0.55 0.00 0.00 56.30 55.75 2o8h h ASN 680 Cb 0.54 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 2o8h h ASN 680 CO -0.03 0.80 -0.76 0.44 -1.65 0.00 0.00 177.43 176.22 2o8h h ASP 681 N 1.31 0.36 0.13 5.81 3.32 -1.26 -1.69 116.42 124.40 2o8h h ASP 681 Ca 0.37 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 2o8h h ASP 681 Cb -0.11 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.33 2o8h h ASP 681 CO -0.09 0.99 -0.06 0.40 -1.72 0.00 0.00 179.24 178.76 2o8h h ILE 682 N 0.20 1.00 0.00 0.35 2.04 -1.06 -2.74 117.51 117.30 2o8h h ILE 682 Ca -0.03 -0.55 -0.03 0.00 1.00 0.00 0.00 64.86 65.24 2o8h h ILE 682 Cb 1.34 1.35 -0.00 0.00 -0.74 0.00 0.00 36.82 38.76 2o8h h ILE 682 CO 0.12 0.13 -0.15 1.88 0.00 0.00 0.00 178.15 180.14 2o8h h TYR 683 N -0.43 0.00 -0.50 1.37 0.05 -1.42 -2.33 116.97 113.70 2o8h h TYR 683 Ca -0.02 0.00 0.04 0.00 0.05 0.00 0.00 58.73 58.80 2o8h h TYR 683 Cb 0.35 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.05 2o8h h TYR 683 CO 0.01 0.15 0.27 0.00 -1.05 0.00 0.00 178.16 177.54 2o8h h ALA 684 N 1.85 0.64 -0.30 3.88 0.00 -1.00 -0.21 119.26 124.12 2o8h h ALA 684 Ca -0.00 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2o8h h ALA 684 Cb 0.27 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2o8h h ALA 684 CO 0.02 -0.06 0.03 0.93 0.00 0.00 0.00 179.25 180.17 2o8h h GLU 685 N 0.53 0.50 -0.53 0.00 5.08 -1.34 -2.19 114.58 116.63 2o8h h GLU 685 Ca 0.21 -0.14 0.09 0.00 -1.00 0.00 0.00 59.36 58.52 2o8h h GLU 685 Cb 0.09 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.22 2o8h h GLU 685 CO -0.13 0.62 0.13 0.74 -1.00 0.00 0.00 179.01 179.37 2o8h h PHE 686 N 0.31 0.21 -0.49 4.33 0.04 -1.09 0.08 116.94 120.33 2o8h h PHE 686 Ca 0.09 0.03 -0.09 0.00 2.80 0.00 0.00 57.97 60.80 2o8h h PHE 686 Cb 0.37 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.49 2o8h h PHE 686 CO 0.03 0.01 -0.03 -1.49 -0.60 0.00 0.00 178.31 176.22 2o8h h TRP 687 N 0.27 0.98 -0.55 -0.55 6.55 -1.07 0.34 115.95 121.92 2o8h h TRP 687 Ca 0.27 -0.18 0.03 0.00 0.95 0.00 0.00 58.89 59.96 2o8h h TRP 687 Cb 0.36 -0.25 -0.04 0.00 -0.86 0.00 0.00 29.16 28.37 2o8h h TRP 687 CO -0.22 0.93 0.33 0.00 -1.05 0.00 0.00 178.44 178.43 2o8h h ALA 688 N 0.92 0.72 -0.37 1.49 0.00 -1.07 0.31 119.26 121.26 2o8h h ALA 688 Ca 0.14 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2o8h h ALA 688 Cb 0.56 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2o8h h ALA 688 CO 0.03 0.03 0.16 1.49 0.00 0.00 0.00 179.25 180.97 2o8h h GLU 689 N 0.64 0.54 -0.90 0.00 4.81 -0.83 -1.90 114.58 116.94 2o8h h GLU 689 Ca 0.23 -0.09 0.11 0.00 -0.13 0.00 0.00 59.36 59.48 2o8h h GLU 689 Cb 0.05 -0.09 -0.08 0.00 0.63 0.00 0.00 28.75 29.26 2o8h h GLU 689 CO -0.11 0.50 0.53 0.78 -0.73 0.00 0.00 179.01 179.99 2o8h h GLY 690 N 0.45 1.44 0.88 1.92 0.00 -0.59 -0.34 103.07 106.82 2o8h h GLY 690 Ca 0.12 -0.35 0.03 0.00 0.00 0.00 0.00 47.33 47.13 2o8h h GLY 690 CO -0.01 0.12 0.52 -0.55 0.00 0.00 0.00 176.54 176.62 2o8h h ASP 691 N 0.85 0.87 0.32 0.19 3.32 -0.57 -1.95 116.42 119.45 2o8h h ASP 691 Ca 0.44 -0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.39 2o8h h ASP 691 Cb 0.45 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 2o8h h ASP 691 CO -0.27 0.60 -0.43 -0.33 -1.72 0.00 0.00 179.24 177.09 2o8h h GLU 692 N 1.02 0.15 0.33 3.56 4.39 -0.52 -1.08 114.58 122.43 2o8h h GLU 692 Ca 0.32 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.94 2o8h h GLU 692 Cb 0.00 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 2o8h h GLU 692 CO -0.11 0.56 -0.16 0.52 -1.16 0.00 0.00 179.01 178.65 2o8h h MET 693 N 0.12 -0.43 -0.75 2.33 2.86 -0.82 -2.43 114.93 115.81 2o8h h MET 693 Ca 0.01 0.03 0.17 0.00 -2.06 0.00 0.00 59.70 57.85 2o8h h MET 693 Cb 0.82 0.10 -0.13 0.00 0.06 0.00 0.00 31.60 32.45 2o8h h MET 693 CO 0.06 -0.13 0.05 0.87 1.06 0.00 0.00 176.91 178.83 2o8h h LYS 694 N -0.76 0.13 -0.00 1.72 1.57 -1.12 0.33 116.57 118.44 2o8h h LYS 694 Ca -0.05 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2o8h h LYS 694 Cb 0.51 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 2o8h h LYS 694 CO 0.08 0.09 0.05 0.87 -0.57 0.00 0.00 179.45 179.96 2o8h h LYS 695 N 0.14 0.00 0.00 3.15 1.57 -1.03 -1.27 116.57 119.13 2o8h h LYS 695 Ca 0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.19 2o8h h LYS 695 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.04 2o8h h LYS 695 CO -0.62 0.00 -0.64 1.28 -0.57 0.00 0.00 179.45 178.90 2o8h n LEU 696 N -3.10 0.63 0.00 2.94 4.77 0.03 -4.96 117.00 117.31 2o8h n LEU 696 Ca -0.03 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 2o8h n LEU 696 Cb 0.11 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 2o8h n LEU 696 CO 0.20 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.87 2o8h n GLY 697 N 1.38 1.42 2.93 -0.72 0.00 -0.48 -5.10 105.19 104.62 2o8h n GLY 697 Ca 0.04 -0.02 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 2o8h n GLY 697 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2o8h s ILE 698 N -2.00 0.98 -0.09 -0.61 1.01 -0.75 -5.00 121.20 114.74 2o8h s ILE 698 Ca 0.00 -0.30 -0.29 0.00 0.00 0.00 0.00 60.65 60.06 2o8h s ILE 698 Cb 0.00 -0.97 -0.07 0.00 0.01 0.00 0.00 42.46 41.43 2o8h s ILE 698 CO 0.00 0.35 2.05 -1.10 0.00 0.00 0.00 174.94 176.24 2o8h s GLN 699 N 1.38 3.69 0.69 2.79 -0.21 -1.26 -2.64 119.66 124.10 2o8h s GLN 699 Ca -0.01 2.29 -0.14 0.00 0.02 0.00 0.00 55.36 57.52 2o8h s GLN 699 Cb -0.14 -4.24 0.02 0.00 1.00 0.00 0.00 33.01 29.65 2o8h s GLN 699 CO -0.04 -1.47 1.12 -2.14 -2.12 0.00 0.00 175.29 170.64 2o8h s PRO 700 N 5.28 2.59 0.75 2.91 0.02 -1.26 -5.00 135.00 140.30 2o8h s PRO 700 Ca 0.92 1.43 -0.15 0.00 0.02 0.00 0.00 61.00 63.22 2o8h s PRO 700 Cb -0.37 -1.92 0.03 0.00 0.02 0.00 0.00 34.50 32.26 2o8h s PRO 700 CO 0.38 -1.42 1.07 0.44 -0.33 0.00 0.00 177.00 177.13 2o8h n ILE 701 N -2.64 2.64 -0.16 2.83 -5.35 -1.26 -4.78 119.36 110.64 2o8h n ILE 701 Ca 0.11 -0.32 0.14 0.00 -0.27 0.00 0.00 62.75 62.41 2o8h n ILE 701 Cb 0.52 -1.16 0.49 0.00 -1.74 0.00 0.00 39.64 37.75 2o8h n ILE 701 CO 0.00 0.00 0.00 -0.65 -1.76 0.00 0.00 176.55 174.14 2o8h h PRO 702 N -0.46 0.43 -0.98 6.28 0.11 -1.95 -1.12 132.00 134.31 2o8h h PRO 702 Ca -0.47 -0.03 0.20 0.00 0.11 0.00 0.00 66.00 65.81 2o8h h PRO 702 Cb 1.32 -0.10 -0.09 0.00 0.11 0.00 0.00 31.00 32.24 2o8h h PRO 702 CO 0.47 0.29 0.62 1.98 -0.21 0.00 0.00 178.00 181.14 2o8h h MET 703 N 0.44 0.60 -0.02 1.05 4.05 -1.93 -1.17 114.93 117.96 2o8h h MET 703 Ca 0.36 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.74 2o8h h MET 703 Cb 0.77 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 31.44 2o8h h MET 703 CO -0.12 0.40 -0.10 -1.33 0.23 0.00 0.00 176.91 175.99 2o8h n MET 704 N -4.67 1.90 -3.21 0.39 2.81 -0.44 -4.67 117.12 109.25 2o8h n MET 704 Ca 0.22 -1.48 -0.43 0.00 -1.81 0.00 0.00 57.70 54.20 2o8h n MET 704 Cb 0.64 -1.47 -0.07 0.00 -0.71 0.00 0.00 33.22 31.61 2o8h n MET 704 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2o8h s ASP 705 N -2.11 6.23 0.51 7.83 -1.08 -0.44 -3.07 116.67 124.54 2o8h s ASP 705 Ca 0.28 -0.71 0.16 0.00 -0.52 0.00 0.00 52.55 51.75 2o8h s ASP 705 Cb 0.20 -2.27 1.23 0.00 -1.46 0.00 0.00 42.92 40.61 2o8h s ASP 705 CO 0.37 -0.75 2.12 0.08 0.52 0.00 0.00 175.17 177.51 2o8h h ARG 706 N 8.87 0.00 0.00 4.34 0.11 -1.84 -0.27 114.38 125.60 2o8h h ARG 706 Ca -0.27 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.81 2o8h h ARG 706 Cb 1.10 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.18 2o8h h ARG 706 CO 0.89 0.03 0.01 -0.44 0.10 0.00 0.00 179.97 180.56 2o8h h ASP 707 N 0.00 0.00 -0.80 0.08 3.32 -1.94 -1.66 116.42 115.43 2o8h h ASP 707 Ca 0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 2o8h h ASP 707 Cb 0.05 0.00 -0.32 0.00 0.22 0.00 0.00 39.33 39.28 2o8h h ASP 707 CO 0.00 0.00 0.05 0.29 -1.72 0.00 0.00 179.24 177.86 2o8h n LYS 708 N -2.47 2.90 0.19 3.56 5.02 -0.11 -4.75 118.16 122.49 2o8h n LYS 708 Ca -0.02 -3.61 0.03 0.00 -2.02 0.00 0.00 58.31 52.70 2o8h n LYS 708 Cb 0.06 -2.21 0.37 0.00 -0.02 0.00 0.00 35.03 33.22 2o8h n LYS 708 CO 0.00 0.00 0.00 0.07 -0.52 0.00 0.00 177.40 176.95 2o8h h ARG 709 N 1.87 0.00 0.00 1.97 0.11 -1.41 -2.58 114.38 114.34 2o8h h ARG 709 Ca 0.46 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.54 2o8h h ARG 709 Cb 1.33 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.41 2o8h h ARG 709 CO 1.06 0.38 0.00 -0.40 0.10 0.00 0.00 179.97 181.11 2o8h n ASP 710 N -3.92 0.62 -0.89 0.08 5.75 -1.26 -2.26 116.55 114.67 2o8h n ASP 710 Ca -0.02 0.68 0.07 0.00 -0.01 0.00 0.00 54.79 55.51 2o8h n ASP 710 Cb 0.44 -0.80 0.20 0.00 -1.03 0.00 0.00 41.12 39.93 2o8h n ASP 710 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2o8h n GLU 711 N -2.21 2.23 -0.26 0.11 1.02 -0.97 -4.48 120.64 116.07 2o8h n GLU 711 Ca 0.01 -1.62 0.00 0.00 -0.02 0.00 0.00 57.16 55.54 2o8h n GLU 711 Cb 0.19 -1.44 0.13 0.00 -0.02 0.00 0.00 31.44 30.29 2o8h n GLU 711 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2o8h h VAL 712 N 2.53 0.94 -0.84 2.62 2.07 -1.63 -1.07 116.25 120.87 2o8h h VAL 712 Ca 0.00 -0.26 0.07 0.00 0.82 0.00 0.00 66.70 67.33 2o8h h VAL 712 Cb 0.72 0.13 -0.06 0.00 -1.52 0.00 0.00 31.29 30.56 2o8h h VAL 712 CO 0.05 0.14 0.51 -0.65 0.02 0.00 0.00 177.57 177.64 2o8h h PRO 713 N 0.75 0.90 -0.46 1.57 0.11 -1.86 0.14 132.00 133.14 2o8h h PRO 713 Ca 0.35 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 66.30 2o8h h PRO 713 Cb 0.26 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.15 2o8h h PRO 713 CO -0.21 0.59 -0.12 1.96 -0.21 0.00 0.00 178.00 180.01 2o8h h GLN 714 N 0.93 0.89 -0.63 1.05 7.50 -1.76 -1.63 115.11 121.46 2o8h h GLN 714 Ca 0.37 -0.34 0.10 0.00 0.50 0.00 0.00 58.65 59.28 2o8h h GLN 714 Cb 0.19 -0.05 -0.08 0.00 0.05 0.00 0.00 27.48 27.60 2o8h h GLN 714 CO -0.18 0.99 0.23 0.78 -1.50 0.00 0.00 178.83 179.15 2o8h h GLY 715 N 0.73 0.89 1.28 3.46 0.00 -0.43 -1.84 103.07 107.16 2o8h h GLY 715 Ca 0.11 -0.12 -0.14 0.00 0.00 0.00 0.00 47.33 47.19 2o8h h GLY 715 CO 0.05 -0.03 -0.33 1.46 0.00 0.00 0.00 176.54 177.68 2o8h h GLN 716 N 0.41 0.80 -0.61 4.80 1.08 -0.40 -1.98 115.11 119.22 2o8h h GLN 716 Ca 0.32 -0.39 0.10 0.00 -1.45 0.00 0.00 58.65 57.24 2o8h h GLN 716 Cb 0.42 -0.00 -0.08 0.00 -0.05 0.00 0.00 27.48 27.76 2o8h h GLN 716 CO -0.32 1.02 0.18 -0.07 -0.95 0.00 0.00 178.83 178.68 2o8h h LEU 717 N 0.67 0.12 0.42 1.46 3.38 -0.82 -0.66 115.31 119.89 2o8h h LEU 717 Ca 0.07 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 2o8h h LEU 717 Cb 0.88 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 2o8h h LEU 717 CO 0.08 0.07 -0.25 1.23 0.09 0.00 0.00 178.44 179.67 2o8h h GLY 718 N 0.34 -0.66 1.07 0.83 0.00 -0.90 -1.50 103.07 102.25 2o8h h GLY 718 Ca 0.31 0.27 0.02 0.00 0.00 0.00 0.00 47.33 47.94 2o8h h GLY 718 CO -0.35 -0.25 0.59 -2.75 0.00 0.00 0.00 176.54 173.78 2o8h h PHE 719 N -0.63 1.10 -0.13 5.60 3.57 -1.12 -1.41 116.94 123.91 2o8h h PHE 719 Ca -0.05 0.03 -0.22 0.00 3.53 0.00 0.00 57.97 61.26 2o8h h PHE 719 Cb 0.51 -0.37 0.01 0.00 2.79 0.00 0.00 35.95 38.89 2o8h h PHE 719 CO -0.08 0.67 -0.77 1.88 -2.23 0.00 0.00 178.31 177.78 2o8h h TYR 720 N 1.17 1.03 -0.25 0.41 -1.99 -0.92 -1.24 116.97 115.18 2o8h h TYR 720 Ca 0.34 -0.47 -0.19 0.00 2.00 0.00 0.00 58.73 60.42 2o8h h TYR 720 Cb -0.07 -0.16 0.00 0.00 2.00 0.00 0.00 36.73 38.51 2o8h h TYR 720 CO -0.00 1.30 -0.58 -0.91 -0.00 0.00 0.00 178.16 177.96 2o8h h ASN 721 N 0.48 0.91 0.84 3.88 2.35 -1.07 -0.50 115.58 122.45 2o8h h ASN 721 Ca -0.06 -0.50 -0.11 0.00 -0.55 0.00 0.00 56.30 55.08 2o8h h ASN 721 Cb 1.40 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 39.49 2o8h h ASN 721 CO 0.16 1.29 -1.24 0.00 -1.65 0.00 0.00 177.43 175.99 2o8h h ALA 722 N 0.72 0.60 0.00 -0.83 0.00 -1.33 -3.41 119.26 115.02 2o8h h ALA 722 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2o8h h ALA 722 Cb 1.19 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2o8h h ALA 722 CO 0.12 0.58 0.00 0.28 0.00 0.00 0.00 179.25 180.24 2o8h n VAL 723 N -2.83 0.76 0.01 0.00 0.31 -0.53 -4.81 118.33 111.24 2o8h n VAL 723 Ca -0.06 0.25 -0.12 0.00 -0.01 0.00 0.00 64.34 64.40 2o8h n VAL 723 Cb 0.73 -1.19 -0.09 0.00 -0.91 0.00 0.00 33.84 32.38 2o8h n VAL 723 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2o8h h ALA 724 N 0.00 -0.11 -0.25 3.52 0.00 -1.27 -1.22 119.26 119.94 2o8h h ALA 724 Ca 0.00 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 54.67 2o8h h ALA 724 Cb 0.00 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 2o8h h ALA 724 CO 0.00 -0.24 0.02 0.82 0.00 0.00 0.00 179.25 179.85 2o8h h ILE 725 N -0.76 0.85 -0.94 0.00 1.08 -1.36 -1.14 117.51 115.23 2o8h h ILE 725 Ca -0.01 -0.04 0.01 0.00 -0.39 0.00 0.00 64.86 64.43 2o8h h ILE 725 Cb 0.59 0.74 -0.05 0.00 -3.07 0.00 0.00 36.82 35.03 2o8h h ILE 725 CO 0.02 0.02 0.62 -0.65 -0.69 0.00 0.00 178.15 177.47 2o8h h PRO 726 N 0.10 1.25 0.86 2.37 0.11 -1.78 -0.72 132.00 134.19 2o8h h PRO 726 Ca 0.11 -0.08 -0.04 0.00 0.11 0.00 0.00 66.00 66.11 2o8h h PRO 726 Cb 0.13 -0.28 0.00 0.00 0.11 0.00 0.00 31.00 30.97 2o8h h PRO 726 CO -0.18 0.83 -0.47 0.00 -0.21 0.00 0.00 178.00 177.97 2o8h h TYR 728 N -1.23 0.00 -0.08 0.00 0.05 -1.25 -1.05 116.97 113.41 2o8h h TYR 728 Ca -0.12 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.60 2o8h h TYR 728 Cb 0.97 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.71 2o8h h TYR 728 CO -0.06 0.00 -0.20 1.15 -1.05 0.00 0.00 178.16 178.00 2o8h h THR 729 N 0.00 1.41 -0.43 -2.88 2.02 -0.92 -2.12 112.91 110.00 2o8h h THR 729 Ca 0.00 -1.52 -0.10 0.00 0.77 0.00 0.00 66.41 65.56 2o8h h THR 729 Cb 0.49 2.19 -0.02 0.00 -1.74 0.00 0.00 68.15 69.07 2o8h h THR 729 CO 0.00 0.43 -0.14 0.74 0.37 0.00 0.00 175.52 176.92 2o8h h THR 730 N -0.19 1.26 -0.31 3.16 2.02 -0.97 -1.94 112.91 115.95 2o8h h THR 730 Ca -0.00 -1.21 -0.02 0.00 0.77 0.00 0.00 66.41 65.95 2o8h h THR 730 Cb 0.80 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 68.27 2o8h h THR 730 CO 0.04 0.41 0.13 0.25 0.37 0.00 0.00 175.52 176.73 2o8h h LEU 731 N 0.71 0.42 -1.37 2.58 5.85 -1.22 -2.76 115.31 119.52 2o8h h LEU 731 Ca 0.11 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.69 2o8h h LEU 731 Cb 0.63 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 2o8h h LEU 731 CO 0.04 0.45 0.40 0.74 -0.34 0.00 0.00 178.44 179.74 2o8h h THR 732 N 0.36 1.16 -0.40 1.05 2.02 -1.14 0.22 112.91 116.18 2o8h h THR 732 Ca 0.10 -0.32 -0.06 0.00 0.77 0.00 0.00 66.41 66.91 2o8h h THR 732 Cb 0.16 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 66.80 2o8h h THR 732 CO -0.01 0.16 -0.01 1.56 0.37 0.00 0.00 175.52 177.59 2o8h h GLN 733 N 0.85 0.64 0.13 6.66 4.20 -1.15 -1.84 115.11 124.60 2o8h h GLN 733 Ca 0.23 -0.16 -0.34 0.00 0.06 0.00 0.00 58.65 58.44 2o8h h GLN 733 Cb -0.08 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.60 2o8h h GLN 733 CO -0.05 0.67 -1.83 0.82 -0.67 0.00 0.00 178.83 177.77 2o8h h ILE 734 N 0.61 0.81 -2.89 2.54 2.04 -1.18 -3.42 117.51 116.02 2o8h h ILE 734 Ca 0.12 -2.50 -0.61 0.00 1.00 0.00 0.00 64.86 62.88 2o8h h ILE 734 Cb 0.40 2.60 -0.40 0.00 -0.74 0.00 0.00 36.82 38.68 2o8h h ILE 734 CO 0.02 0.83 -0.75 -0.76 0.00 0.00 0.00 178.15 177.49 2o8h s LEU 735 N -6.99 2.93 0.36 1.44 1.43 0.73 -5.03 118.68 113.56 2o8h s LEU 735 Ca -0.17 -2.99 0.15 0.00 -1.03 0.00 0.00 54.13 50.09 2o8h s LEU 735 Cb 0.06 -1.06 1.02 0.00 0.03 0.00 0.00 46.19 46.24 2o8h s LEU 735 CO 0.81 -0.21 1.74 -0.65 0.23 0.00 0.00 176.35 178.28 2o8h h PRO 736 N 6.22 0.45 0.00 1.29 0.11 -1.55 -2.08 132.00 136.44 2o8h h PRO 736 Ca 0.08 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.16 2o8h h PRO 736 Cb 0.88 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.89 2o8h h PRO 736 CO 0.52 0.30 0.08 -1.35 -0.21 0.00 0.00 178.00 177.33 2o8h h PRO 737 N 0.47 0.00 -0.02 1.05 0.11 -1.86 -2.28 132.00 129.47 2o8h h PRO 737 Ca 0.63 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.74 2o8h h PRO 737 Cb 1.43 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.54 2o8h h PRO 737 CO -0.40 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 177.64 2o8h n THR 738 N -2.68 0.03 -0.32 -1.15 -2.24 -0.78 -4.26 114.28 102.87 2o8h n THR 738 Ca -0.02 -0.04 0.18 0.00 -2.27 0.00 0.00 64.05 61.90 2o8h n THR 738 Cb 0.13 -0.18 0.38 0.00 -2.10 0.00 0.00 70.33 68.55 2o8h n THR 738 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2o8h h GLU 739 N 0.22 0.27 -0.75 -0.78 4.57 -1.61 -1.58 114.58 114.92 2o8h h GLU 739 Ca 0.00 -0.02 0.17 0.00 -1.18 0.00 0.00 59.36 58.34 2o8h h GLU 739 Cb 0.05 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.53 2o8h h GLU 739 CO 0.00 0.18 0.51 -1.35 -1.18 0.00 0.00 179.01 177.17 2o8h h PRO 740 N 0.28 0.26 0.15 0.92 0.11 -1.88 -0.55 132.00 131.30 2o8h h PRO 740 Ca 0.64 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.74 2o8h h PRO 740 Cb 1.37 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.40 2o8h h PRO 740 CO -0.62 0.17 -0.18 -0.07 -0.21 0.00 0.00 178.00 177.09 2o8h h LEU 741 N 0.27 -0.49 -0.61 2.35 3.38 -1.63 -1.65 115.31 116.93 2o8h h LEU 741 Ca 0.37 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.39 2o8h h LEU 741 Cb 1.05 0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.95 2o8h h LEU 741 CO -0.09 -0.27 0.38 0.25 0.09 0.00 0.00 178.44 178.81 2o8h h LEU 742 N -0.38 0.72 -0.43 1.67 5.85 -1.33 -1.23 115.31 120.18 2o8h h LEU 742 Ca 0.01 -0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.71 2o8h h LEU 742 Cb 0.37 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 2o8h h LEU 742 CO -0.06 0.55 0.23 0.50 -0.34 0.00 0.00 178.44 179.32 2o8h h LYS 743 N 0.83 0.46 -0.71 1.25 3.64 -1.05 -1.46 116.57 119.52 2o8h h LYS 743 Ca 0.22 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.52 2o8h h LYS 743 Cb -0.05 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.63 2o8h h LYS 743 CO -0.04 0.30 0.25 0.00 -2.27 0.00 0.00 179.45 177.69 2o8h h ALA 744 N 1.21 0.93 -0.40 5.00 0.00 -1.07 -1.71 119.26 123.23 2o8h h ALA 744 Ca 0.18 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.90 2o8h h ALA 744 Cb 0.05 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 2o8h h ALA 744 CO -0.10 0.58 0.22 0.00 0.00 0.00 0.00 179.25 179.95 2o8h h ARG 746 N 0.45 1.25 -0.81 0.00 3.08 -1.07 -0.51 114.38 116.78 2o8h h ARG 746 Ca 0.16 -0.14 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 2o8h h ARG 746 Cb 0.03 -0.25 -0.04 0.00 0.08 0.00 0.00 29.97 29.79 2o8h h ARG 746 CO -0.09 0.90 0.40 -0.44 -1.07 0.00 0.00 179.97 179.68 2o8h h ASP 747 N 1.27 1.05 -0.45 7.04 3.32 -0.87 -1.71 116.42 126.07 2o8h h ASP 747 Ca 0.32 -0.13 -0.14 0.00 0.02 0.00 0.00 57.03 57.11 2o8h h ASP 747 Cb -0.00 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 2o8h h ASP 747 CO -0.05 0.88 -0.25 0.78 -1.72 0.00 0.00 179.24 178.87 2o8h h ASN 748 N 1.14 1.00 -0.44 6.45 2.35 -0.70 -1.80 115.58 123.58 2o8h h ASN 748 Ca 0.28 -0.39 0.03 0.00 -0.55 0.00 0.00 56.30 55.67 2o8h h ASN 748 Cb 0.09 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 38.15 2o8h h ASN 748 CO -0.04 1.19 0.22 0.25 -1.65 0.00 0.00 177.43 177.40 2o8h h LEU 749 N 0.83 0.33 -0.68 1.61 5.85 -0.85 -1.33 115.31 121.08 2o8h h LEU 749 Ca 0.10 0.02 0.10 0.00 0.84 0.00 0.00 57.88 58.94 2o8h h LEU 749 Cb 0.82 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.74 2o8h h LEU 749 CO 0.07 0.24 0.31 -1.13 -0.34 0.00 0.00 178.44 177.58 2o8h h ASN 750 N 0.45 0.37 -0.56 1.25 -1.24 -0.85 -0.62 115.58 114.37 2o8h h ASN 750 Ca 0.19 0.07 0.00 0.00 0.71 0.00 0.00 56.30 57.27 2o8h h ASN 750 Cb 0.09 0.02 -0.03 0.00 0.73 0.00 0.00 38.32 39.13 2o8h h ASN 750 CO -0.13 0.21 0.35 1.56 -1.29 0.00 0.00 177.43 178.13 2o8h h GLN 751 N 0.52 0.75 -0.51 6.67 1.08 -0.84 0.58 115.11 123.36 2o8h h GLN 751 Ca 0.34 -0.06 -0.03 0.00 -1.45 0.00 0.00 58.65 57.45 2o8h h GLN 751 Cb 0.39 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 27.63 2o8h h GLN 751 CO -0.29 0.52 0.18 -1.49 -0.95 0.00 0.00 178.83 176.80 2o8h h TRP 752 N 0.75 0.75 -0.75 2.96 4.06 -0.84 -1.29 115.95 121.60 2o8h h TRP 752 Ca 0.20 -0.04 -0.05 0.00 2.06 0.00 0.00 58.89 61.06 2o8h h TRP 752 Cb -0.05 -0.23 -0.03 0.00 -1.00 0.00 0.00 29.16 27.84 2o8h h TRP 752 CO -0.03 0.60 0.28 0.93 -3.56 0.00 0.00 178.44 176.66 2o8h h GLU 753 N 0.74 1.12 -0.53 0.49 5.08 -0.19 -2.61 114.58 118.68 2o8h h GLU 753 Ca 0.17 -0.21 -0.09 0.00 -1.00 0.00 0.00 59.36 58.23 2o8h h GLU 753 Cb 0.18 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2o8h h GLU 753 CO -0.01 0.92 -0.04 0.87 -1.00 0.00 0.00 179.01 179.75 2o8h h LYS 754 N 1.09 0.93 -0.83 2.33 1.57 -0.30 -3.17 116.57 118.20 2o8h h LYS 754 Ca 0.25 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2o8h h LYS 754 Cb 0.24 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.42 2o8h h LYS 754 CO -0.02 0.94 0.52 0.28 -0.57 0.00 0.00 179.45 180.61 2o8h h VAL 755 N 0.85 1.22 -0.01 0.50 2.07 -0.90 -2.31 116.25 117.67 2o8h h VAL 755 Ca 0.15 -0.45 -0.05 0.00 0.82 0.00 0.00 66.70 67.17 2o8h h VAL 755 Cb 0.55 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 2o8h h VAL 755 CO 0.03 0.23 -0.23 0.40 0.02 0.00 0.00 177.57 178.01 2o8h h ILE 756 N 1.13 1.18 -0.43 4.57 2.04 -1.44 -2.73 117.51 121.82 2o8h h ILE 756 Ca 0.30 -0.83 -0.04 0.00 1.00 0.00 0.00 64.86 65.29 2o8h h ILE 756 Cb -0.08 1.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 2o8h h ILE 756 CO -0.06 0.24 0.04 -2.11 0.00 0.00 0.00 178.15 176.26 2o8h n ARG 757 N -4.25 3.59 0.00 2.37 1.85 -0.94 -4.99 116.66 114.28 2o8h n ARG 757 Ca -0.02 -3.00 0.00 0.00 -1.00 0.00 0.00 57.85 53.82 2o8h n ARG 757 Cb 0.29 -2.03 0.00 0.00 -1.05 0.00 0.00 32.46 29.67 2o8h n ARG 757 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2o8h n GLY 758 N -0.16 2.97 0.27 2.89 0.00 -1.00 -4.92 105.19 105.25 2o8h n GLY 758 Ca 0.27 -0.79 0.06 0.00 0.00 0.00 0.00 46.02 45.56 2o8h n GLY 758 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2o8h h GLU 759 N 0.00 0.21 0.00 1.61 5.08 -1.68 -3.45 114.58 116.35 2o8h h GLU 759 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2o8h h GLU 759 Cb 0.00 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.20 2o8h h GLU 759 CO 0.00 0.14 0.00 -1.91 -1.00 0.00 0.00 179.01 176.24