#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ovv s PRO 455 N 0.00 2.81 0.30 1.47 0.02 -1.26 -4.74 135.00 133.60 2ovv s PRO 455 Ca 0.00 2.05 0.01 0.00 0.02 0.00 0.00 61.00 63.07 2ovv s PRO 455 Cb 0.00 -1.97 0.47 0.00 0.02 0.00 0.00 34.50 33.02 2ovv s PRO 455 CO 0.00 -1.40 1.84 0.00 -0.33 0.00 0.00 177.00 177.11 2ovv h ALA 456 N 0.87 1.26 -0.42 -1.55 0.00 -2.06 -1.52 119.26 115.83 2ovv h ALA 456 Ca -0.51 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.10 2ovv h ALA 456 Cb 1.32 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 2ovv h ALA 456 CO 0.55 0.51 -0.13 -0.09 0.00 0.00 0.00 179.25 180.08 2ovv h ARG 457 N 0.69 0.78 -0.16 0.00 2.43 -2.00 -2.64 114.38 113.47 2ovv h ARG 457 Ca 0.15 -0.27 -0.22 0.00 -0.81 0.00 0.00 59.98 58.83 2ovv h ARG 457 Cb 0.32 -0.06 0.01 0.00 -0.42 0.00 0.00 29.97 29.82 2ovv h ARG 457 CO 0.00 0.87 -0.77 0.82 -1.51 0.00 0.00 179.97 179.39 2ovv h ILE 458 N 0.70 1.28 -0.88 1.20 2.04 -1.82 -0.84 117.51 119.19 2ovv h ILE 458 Ca 0.11 -1.96 0.24 0.00 1.00 0.00 0.00 64.86 64.25 2ovv h ILE 458 Cb 0.62 1.97 -0.14 0.00 -0.74 0.00 0.00 36.82 38.53 2ovv h ILE 458 CO 0.04 0.62 0.23 0.00 0.00 0.00 0.00 178.15 179.04 2ovv h ARG 460 N 0.19 0.06 0.00 0.00 2.43 -1.38 -3.40 114.38 112.28 2ovv h ARG 460 Ca 0.56 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.61 2ovv h ARG 460 Cb 1.13 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.71 2ovv h ARG 460 CO -0.67 1.02 -0.06 -0.44 -1.51 0.00 0.00 179.97 178.31 2ovv h ASP 461 N -0.84 0.00 0.75 -3.80 5.19 -0.75 -2.92 116.42 114.05 2ovv h ASP 461 Ca -0.03 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.37 2ovv h ASP 461 Cb 1.09 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.60 2ovv h ASP 461 CO 0.03 0.06 -0.07 -0.29 -3.12 0.00 0.00 179.24 175.85 2ovv h ILE 462 N 0.00 0.22 0.00 0.35 2.10 -1.42 0.01 117.51 118.78 2ovv h ILE 462 Ca -0.00 -0.58 0.00 0.00 1.08 0.00 0.00 64.86 65.36 2ovv h ILE 462 Cb 0.99 1.47 0.00 0.00 -1.09 0.00 0.00 36.82 38.19 2ovv h ILE 462 CO 0.01 0.07 0.00 -0.62 -1.08 0.00 0.00 178.15 176.53 2ovv n GLU 463 N -3.25 0.02 -3.03 2.19 -0.58 -1.10 -4.79 120.64 110.09 2ovv n GLU 463 Ca -0.00 0.08 -0.39 0.00 -0.42 0.00 0.00 57.16 56.42 2ovv n GLU 463 Cb 0.29 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.60 2ovv n GLU 463 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2ovv s LEU 464 N -2.97 4.56 0.30 -4.62 1.43 -0.01 -4.95 118.68 112.42 2ovv s LEU 464 Ca 0.12 1.54 -0.01 0.00 -1.03 0.00 0.00 54.13 54.76 2ovv s LEU 464 Cb 0.16 -3.21 0.49 0.00 0.03 0.00 0.00 46.19 43.66 2ovv s LEU 464 CO 0.44 0.19 1.94 -0.26 0.23 0.00 0.00 176.35 178.88 2ovv h PHE 465 N 4.61 1.05 -0.23 0.29 0.04 -1.86 -2.44 116.94 118.39 2ovv h PHE 465 Ca -0.47 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.33 2ovv h PHE 465 Cb 1.21 -0.35 0.00 0.00 2.20 0.00 0.00 35.95 39.01 2ovv h PHE 465 CO 0.65 0.60 0.00 -2.39 -0.60 0.00 0.00 178.31 176.57 2ovv n HIS 466 N -4.45 0.59 -1.69 -0.55 1.44 -1.26 -4.90 115.22 104.40 2ovv n HIS 466 Ca 0.12 -0.22 -0.42 0.00 -2.01 0.00 0.00 57.72 55.18 2ovv n HIS 466 Cb 0.12 -0.15 -0.00 0.00 0.12 0.00 0.00 29.99 30.08 2ovv n HIS 466 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 2ovv n PHE 467 N 0.24 2.10 -4.66 -1.40 7.35 -0.92 -4.63 117.46 115.53 2ovv n PHE 467 Ca 0.09 0.55 -0.33 0.00 -0.76 0.00 0.00 57.45 57.00 2ovv n PHE 467 Cb 0.45 -2.38 -0.12 0.00 0.35 0.00 0.00 39.48 37.77 2ovv n PHE 467 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2ovv s ASP 468 N -0.41 4.44 0.00 -2.13 2.15 -1.26 -5.04 116.67 114.42 2ovv s ASP 468 Ca 0.57 -0.13 0.30 0.00 0.43 0.00 0.00 52.55 53.72 2ovv s ASP 468 Cb -0.56 -1.31 1.65 0.00 -0.30 0.00 0.00 42.92 42.39 2ovv s ASP 468 CO 0.61 0.29 2.08 2.30 -0.17 0.00 0.00 175.17 180.27 2ovv n ILE 469 N 2.73 0.02 -0.39 4.11 -5.35 -1.26 -5.02 119.36 114.20 2ovv n ILE 469 Ca -0.18 0.01 0.05 0.00 -0.27 0.00 0.00 62.75 62.36 2ovv n ILE 469 Cb 0.53 -0.53 -0.02 0.00 -1.74 0.00 0.00 39.64 37.88 2ovv n ILE 469 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2ovv n GLY 470 N 1.04 -2.03 0.45 3.28 0.00 -1.26 -4.67 105.19 101.99 2ovv n GLY 470 Ca 0.18 -1.40 0.14 0.00 0.00 0.00 0.00 46.02 44.95 2ovv n GLY 470 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ovv n PRO 471 N -2.83 1.59 -2.92 1.61 -0.04 -1.26 -4.76 135.00 126.39 2ovv n PRO 471 Ca -0.01 -0.90 -0.43 0.00 -0.04 0.00 0.00 63.50 62.11 2ovv n PRO 471 Cb 0.18 -1.48 -0.04 0.00 -0.04 0.00 0.00 33.50 32.12 2ovv n PRO 471 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2ovv s PHE 472 N -2.04 2.80 0.29 0.54 0.08 -1.26 -4.91 117.98 113.48 2ovv s PHE 472 Ca 0.37 -0.75 -0.01 0.00 0.12 0.00 0.00 56.93 56.67 2ovv s PHE 472 Cb 0.21 -4.24 0.44 0.00 -0.57 0.00 0.00 43.02 38.86 2ovv s PHE 472 CO 0.35 -1.56 1.88 0.93 -0.10 0.00 0.00 175.22 176.72 2ovv h GLU 473 N 9.39 0.89 0.00 0.44 5.08 -1.95 -2.06 114.58 126.37 2ovv h GLU 473 Ca -0.23 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 2ovv h GLU 473 Cb 1.07 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.16 2ovv h GLU 473 CO 1.16 0.72 0.00 0.27 -1.00 0.00 0.00 179.01 180.15 2ovv n ASN 474 N -4.33 0.28 0.11 1.42 0.23 -1.26 -2.00 115.26 109.72 2ovv n ASN 474 Ca 0.05 0.59 0.12 0.00 -0.53 0.00 0.00 54.58 54.81 2ovv n ASN 474 Cb 0.16 -0.64 0.08 0.00 -2.08 0.00 0.00 39.78 37.29 2ovv n ASN 474 CO 0.00 0.00 0.00 0.24 -0.93 0.00 0.00 177.26 176.57 2ovv h MET 475 N 0.00 0.00 -0.61 -3.83 2.86 -1.78 -3.40 114.93 108.17 2ovv h MET 475 Ca 0.00 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.56 2ovv h MET 475 Cb 0.20 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 2ovv h MET 475 CO 0.00 0.00 0.06 -1.49 1.06 0.00 0.00 176.91 176.54 2ovv h TRP 476 N 0.00 1.13 -0.44 -0.22 6.55 -1.49 -1.97 115.95 119.50 2ovv h TRP 476 Ca 0.00 -0.17 0.06 0.00 0.95 0.00 0.00 58.89 59.72 2ovv h TRP 476 Cb 0.92 -0.30 -0.05 0.00 -0.86 0.00 0.00 29.16 28.87 2ovv h TRP 476 CO 0.00 0.98 0.15 -1.35 -1.05 0.00 0.00 178.44 177.17 2ovv h PRO 477 N 0.95 0.30 -0.20 0.49 0.11 -1.77 -0.22 132.00 131.66 2ovv h PRO 477 Ca 0.18 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 66.19 2ovv h PRO 477 Cb 0.49 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.52 2ovv h PRO 477 CO 0.02 0.20 -0.25 0.78 -0.21 0.00 0.00 178.00 178.54 2ovv h GLY 478 N 0.31 0.41 0.97 -0.55 0.00 -1.76 0.47 103.07 102.92 2ovv h GLY 478 Ca 0.21 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 2ovv h GLY 478 CO -0.22 0.30 0.24 -2.22 0.00 0.00 0.00 176.54 174.63 2ovv h ILE 479 N 0.34 1.16 -0.14 2.60 2.04 -1.01 -0.18 117.51 122.32 2ovv h ILE 479 Ca 0.05 -0.43 -0.02 0.00 1.00 0.00 0.00 64.86 65.47 2ovv h ILE 479 Cb 0.63 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 2ovv h ILE 479 CO 0.04 0.17 0.01 0.15 0.00 0.00 0.00 178.15 178.53 2ovv h PHE 480 N 0.58 0.26 -0.51 1.37 3.57 0.10 -1.83 116.94 120.48 2ovv h PHE 480 Ca 0.16 -0.04 0.09 0.00 3.53 0.00 0.00 57.97 61.70 2ovv h PHE 480 Cb 0.06 -0.07 -0.07 0.00 2.79 0.00 0.00 35.95 38.66 2ovv h PHE 480 CO -0.02 0.44 0.10 0.28 -2.23 0.00 0.00 178.31 176.88 2ovv h VAL 481 N -0.00 0.72 -0.47 1.41 2.07 -0.95 -0.05 116.25 118.98 2ovv h VAL 481 Ca 0.04 -0.08 0.03 0.00 0.82 0.00 0.00 66.70 67.51 2ovv h VAL 481 Cb 0.33 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 2ovv h VAL 481 CO 0.00 0.04 0.26 0.22 0.02 0.00 0.00 177.57 178.12 2ovv h TYR 482 N 0.24 0.48 -0.70 1.57 3.20 -0.86 0.62 116.97 121.52 2ovv h TYR 482 Ca 0.25 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 62.08 2ovv h TYR 482 Cb 0.34 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.44 2ovv h TYR 482 CO -0.23 0.26 0.18 0.52 -1.64 0.00 0.00 178.16 177.25 2ovv h MET 483 N 0.51 1.10 -0.01 1.82 2.86 -0.85 -1.38 114.93 118.98 2ovv h MET 483 Ca 0.19 -0.26 -0.24 0.00 -2.06 0.00 0.00 59.70 57.34 2ovv h MET 483 Cb 0.06 -0.15 0.01 0.00 0.06 0.00 0.00 31.60 31.58 2ovv h MET 483 CO -0.11 0.97 -0.95 0.97 1.06 0.00 0.00 176.91 178.84 2ovv h ILE 484 N 1.05 1.36 -0.67 -1.22 2.10 -0.40 -1.62 117.51 118.11 2ovv h ILE 484 Ca 0.22 -2.35 -0.06 0.00 1.08 0.00 0.00 64.86 63.75 2ovv h ILE 484 Cb 0.36 2.37 -0.03 0.00 -1.09 0.00 0.00 36.82 38.43 2ovv h ILE 484 CO 0.00 0.71 0.20 0.45 -1.08 0.00 0.00 178.15 178.43 2ovv h HIS 485 N 0.30 1.08 0.00 2.19 3.86 -0.85 0.17 115.15 121.90 2ovv h HIS 485 Ca -0.09 -0.11 -0.10 0.00 -1.16 0.00 0.00 60.37 58.91 2ovv h HIS 485 Cb 1.59 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 29.73 2ovv h HIS 485 CO 0.07 0.88 -0.47 0.00 0.86 0.00 0.00 177.93 179.27 2ovv h ARG 486 N 0.98 0.00 0.00 2.45 3.08 -1.17 -1.99 114.38 117.72 2ovv h ARG 486 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.26 2ovv h ARG 486 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.36 2ovv h ARG 486 CO -0.00 0.47 -0.77 0.43 -1.07 0.00 0.00 179.97 179.02 2ovv n SER 487 N -3.92 0.65 -2.73 7.04 7.64 -0.62 -4.70 113.62 116.99 2ovv n SER 487 Ca -0.01 -0.02 -0.03 0.00 1.01 0.00 0.00 58.87 59.81 2ovv n SER 487 Cb 0.50 0.40 0.02 0.00 -1.01 0.00 0.00 64.21 64.12 2ovv n SER 487 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ovv n GLY 489 N 2.85 -2.60 0.33 0.00 0.00 -0.76 -4.23 105.19 100.78 2ovv n GLY 489 Ca 0.14 -0.30 0.02 0.00 0.00 0.00 0.00 46.02 45.89 2ovv n GLY 489 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2ovv h THR 490 N 1.84 1.15 -2.11 2.61 1.35 -1.91 -3.12 112.91 112.72 2ovv h THR 490 Ca 0.00 -0.27 -0.76 0.00 -0.55 0.00 0.00 66.41 64.83 2ovv h THR 490 Cb 0.00 0.31 -0.19 0.00 -1.73 0.00 0.00 68.15 66.55 2ovv h THR 490 CO 0.00 0.14 1.45 -1.20 -0.25 0.00 0.00 175.52 175.66 2ovv n SER 491 N -4.45 5.31 0.00 5.36 7.64 -1.26 -4.25 113.62 121.97 2ovv n SER 491 Ca 0.05 -3.07 0.00 0.00 1.01 0.00 0.00 58.87 56.87 2ovv n SER 491 Cb 0.05 -1.49 0.00 0.00 -1.01 0.00 0.00 64.21 61.75 2ovv n SER 491 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ovv s PHE 493 N -0.32 3.29 0.03 0.00 0.08 -1.26 -4.97 117.98 114.83 2ovv s PHE 493 Ca 0.00 1.33 -0.30 0.00 0.12 0.00 0.00 56.93 58.07 2ovv s PHE 493 Cb 0.00 -3.55 -0.07 0.00 -0.57 0.00 0.00 43.02 38.83 2ovv s PHE 493 CO 0.00 -1.63 1.64 -2.00 -0.10 0.00 0.00 175.22 173.13 2ovv s GLU 494 N -0.48 4.20 0.21 0.44 -6.30 -1.26 -4.92 118.70 110.60 2ovv s GLU 494 Ca 0.54 2.27 -0.10 0.00 -2.50 0.00 0.00 54.97 55.18 2ovv s GLU 494 Cb -0.36 -3.71 0.21 0.00 0.00 0.00 0.00 34.13 30.28 2ovv s GLU 494 CO 0.40 -0.75 1.83 1.25 0.02 0.00 0.00 175.26 178.01 2ovv h LEU 495 N 9.00 0.64 -0.47 2.70 5.85 -1.93 -0.50 115.31 130.60 2ovv h LEU 495 Ca -0.42 0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.18 2ovv h LEU 495 Cb 1.19 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 2ovv h LEU 495 CO 0.93 0.43 -0.25 -0.33 -0.34 0.00 0.00 178.44 178.88 2ovv h GLU 496 N 0.77 0.99 -0.13 1.25 5.08 -1.99 -1.25 114.58 119.29 2ovv h GLU 496 Ca 0.29 -0.44 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 2ovv h GLU 496 Cb 0.10 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2ovv h GLU 496 CO -0.14 1.12 0.07 -0.22 -1.00 0.00 0.00 179.01 178.84 2ovv h LYS 497 N 0.84 0.18 -0.61 2.33 3.64 -1.76 -1.98 116.57 119.21 2ovv h LYS 497 Ca 0.10 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.41 2ovv h LYS 497 Cb 0.83 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.59 2ovv h LYS 497 CO 0.07 0.19 0.20 1.25 -2.27 0.00 0.00 179.45 178.89 2ovv h LEU 498 N 0.12 0.88 -0.37 5.20 5.85 -0.95 -1.26 115.31 124.78 2ovv h LEU 498 Ca 0.05 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.57 2ovv h LEU 498 Cb 0.06 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 2ovv h LEU 498 CO -0.01 0.85 0.24 0.00 -0.34 0.00 0.00 178.44 179.18 2ovv h ARG 500 N 0.50 1.31 -0.11 0.00 2.43 -0.96 -1.89 114.38 115.66 2ovv h ARG 500 Ca 0.14 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 2ovv h ARG 500 Cb -0.05 -0.29 -0.00 0.00 -0.42 0.00 0.00 29.97 29.20 2ovv h ARG 500 CO -0.03 0.87 -0.01 0.35 -1.51 0.00 0.00 179.97 179.65 2ovv h PHE 501 N 1.35 0.21 -0.65 2.20 3.57 -0.77 -2.40 116.94 120.46 2ovv h PHE 501 Ca 0.36 -0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.85 2ovv h PHE 501 Cb -0.15 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.49 2ovv h PHE 501 CO 0.00 0.46 0.40 0.82 -2.23 0.00 0.00 178.31 177.75 2ovv h ILE 502 N -0.09 1.08 -0.22 1.41 2.04 -0.71 -1.47 117.51 119.55 2ovv h ILE 502 Ca 0.03 -0.27 -0.12 0.00 1.00 0.00 0.00 64.86 65.50 2ovv h ILE 502 Cb 0.37 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 2ovv h ILE 502 CO 0.01 0.14 -0.37 0.24 0.00 0.00 0.00 178.15 178.17 2ovv h MET 503 N 0.78 0.49 -0.05 2.37 2.86 -1.33 -1.00 114.93 119.04 2ovv h MET 503 Ca 0.26 -0.23 -0.12 0.00 -2.06 0.00 0.00 59.70 57.55 2ovv h MET 503 Cb 0.03 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 2ovv h MET 503 CO -0.11 0.78 -0.51 0.77 1.06 0.00 0.00 176.91 178.90 2ovv h SER 504 N 0.41 0.15 0.22 1.22 0.02 -0.91 -2.05 113.55 112.61 2ovv h SER 504 Ca 0.04 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 2ovv h SER 504 Cb 0.83 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.33 2ovv h SER 504 CO 0.07 0.64 -0.11 0.58 -1.14 0.00 0.00 176.83 176.87 2ovv h VAL 505 N 0.11 0.86 -0.79 2.27 2.07 -0.96 -2.64 116.25 117.17 2ovv h VAL 505 Ca 0.00 -0.57 0.16 0.00 0.82 0.00 0.00 66.70 67.12 2ovv h VAL 505 Cb 0.94 1.18 -0.15 0.00 -1.52 0.00 0.00 31.29 31.75 2ovv h VAL 505 CO 0.07 0.12 -0.16 0.50 0.02 0.00 0.00 177.57 178.13 2ovv h LYS 506 N -0.59 0.01 -0.09 1.57 3.64 -1.16 -1.34 116.57 118.62 2ovv h LYS 506 Ca -0.03 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 2ovv h LYS 506 Cb 0.43 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 2ovv h LYS 506 CO 0.05 0.01 -0.02 -0.22 -2.27 0.00 0.00 179.45 177.00 2ovv h LYS 507 N 0.01 0.12 -0.25 1.90 3.64 -1.24 -2.18 116.57 118.58 2ovv h LYS 507 Ca 0.39 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.76 2ovv h LYS 507 Cb 0.63 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 2ovv h LYS 507 CO -0.79 0.15 0.00 0.09 -2.27 0.00 0.00 179.45 176.63 2ovv n ASN 508 N -4.44 2.72 -4.82 4.20 3.02 -0.55 -4.82 115.26 110.57 2ovv n ASN 508 Ca -0.02 -1.88 -0.33 0.00 -0.03 0.00 0.00 54.58 52.33 2ovv n ASN 508 Cb 0.15 -0.16 -0.07 0.00 -0.61 0.00 0.00 39.78 39.09 2ovv n ASN 508 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2ovv s TYR 509 N -1.69 3.32 0.31 3.10 1.51 -0.82 -1.54 117.35 121.53 2ovv s TYR 509 Ca 0.35 1.58 0.07 0.00 -1.01 0.00 0.00 57.07 58.06 2ovv s TYR 509 Cb 0.21 -2.83 -0.03 0.00 -0.11 0.00 0.00 41.96 39.20 2ovv s TYR 509 CO 0.30 -0.10 0.26 1.03 -1.11 0.00 0.00 175.55 175.93 2ovv s ARG 510 N -3.18 2.77 -1.43 -0.62 0.52 -1.26 -4.93 118.95 110.83 2ovv s ARG 510 Ca 0.61 -1.23 -0.10 0.00 -0.52 0.00 0.00 55.73 54.50 2ovv s ARG 510 Cb -0.09 -2.50 0.05 0.00 0.52 0.00 0.00 34.95 32.94 2ovv s ARG 510 CO 0.14 0.19 2.40 0.54 0.02 0.00 0.00 175.30 178.58 2ovv n ARG 511 N -1.31 3.73 -3.60 3.54 1.74 -1.26 -4.52 116.66 114.98 2ovv n ARG 511 Ca -0.04 -2.93 -0.20 0.00 -0.77 0.00 0.00 57.85 53.92 2ovv n ARG 511 Cb 0.59 -2.89 -0.02 0.00 -1.02 0.00 0.00 32.46 29.12 2ovv n ARG 511 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2ovv s VAL 512 N 1.10 3.89 0.32 1.55 -7.23 -1.26 -5.03 120.40 113.74 2ovv s VAL 512 Ca 0.54 -1.13 0.02 0.00 -1.81 0.00 0.00 61.98 59.59 2ovv s VAL 512 Cb 0.15 -3.33 0.17 0.00 0.56 0.00 0.00 36.38 33.93 2ovv s VAL 512 CO -0.06 -0.16 1.88 -0.65 -0.31 0.00 0.00 175.10 175.79 2ovv h PRO 513 N 1.02 0.69 0.00 4.82 0.11 -1.91 -3.42 132.00 133.31 2ovv h PRO 513 Ca -0.45 -0.13 0.00 0.00 0.11 0.00 0.00 66.00 65.53 2ovv h PRO 513 Cb 1.25 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2ovv h PRO 513 CO 0.55 0.63 -0.35 0.98 -0.21 0.00 0.00 178.00 179.59 2ovv n TYR 514 N -4.30 -0.41 -1.35 0.65 9.36 -1.26 -4.83 117.16 115.01 2ovv n TYR 514 Ca 0.03 0.07 -0.38 0.00 3.32 0.00 0.00 57.90 60.94 2ovv n TYR 514 Cb 0.21 0.18 -0.02 0.00 -0.63 0.00 0.00 39.34 39.08 2ovv n TYR 514 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 2ovv n HIS 515 N -3.15 2.59 -4.23 2.98 8.25 -1.26 -4.34 115.22 116.06 2ovv n HIS 515 Ca 0.00 -2.76 -0.10 0.00 -0.26 0.00 0.00 57.72 54.60 2ovv n HIS 515 Cb 0.18 -2.32 -0.02 0.00 1.12 0.00 0.00 29.99 28.95 2ovv n HIS 515 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2ovv n ASN 516 N 4.93 2.23 -0.14 0.41 0.23 -1.26 -4.66 115.26 116.99 2ovv n ASN 516 Ca 0.62 -1.72 -0.01 0.00 -0.53 0.00 0.00 54.58 52.94 2ovv n ASN 516 Cb 0.29 0.15 0.24 0.00 -2.08 0.00 0.00 39.78 38.38 2ovv n ASN 516 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 2ovv h TRP 517 N 1.11 0.84 -0.78 -2.53 -0.00 -1.88 -1.87 115.95 110.84 2ovv h TRP 517 Ca -0.13 -0.03 0.00 0.00 -0.00 0.00 0.00 58.89 58.73 2ovv h TRP 517 Cb 0.41 -0.27 -0.04 0.00 -0.00 0.00 0.00 29.16 29.27 2ovv h TRP 517 CO 0.00 0.63 0.50 -0.22 -0.00 0.00 0.00 178.44 179.35 2ovv h LYS 518 N 0.85 1.03 -0.41 2.65 3.64 -1.96 -2.31 116.57 120.05 2ovv h LYS 518 Ca 0.21 -0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 59.44 2ovv h LYS 518 Cb 0.11 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 2ovv h LYS 518 CO -0.03 0.69 -0.07 1.25 -2.27 0.00 0.00 179.45 179.03 2ovv h HIS 519 N 1.06 0.86 -0.31 1.91 2.76 -1.55 -1.97 115.15 117.91 2ovv h HIS 519 Ca 0.28 -0.18 0.02 0.00 -2.20 0.00 0.00 60.37 58.30 2ovv h HIS 519 Cb -0.10 -0.21 -0.03 0.00 1.55 0.00 0.00 27.41 28.62 2ovv h HIS 519 CO 0.00 0.88 0.15 0.00 -1.30 0.00 0.00 177.93 177.66 2ovv h ALA 520 N 0.86 0.37 -0.17 5.26 0.00 -1.07 0.48 119.26 124.99 2ovv h ALA 520 Ca 0.11 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 2ovv h ALA 520 Cb 0.58 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2ovv h ALA 520 CO 0.03 -0.23 -0.44 0.28 0.00 0.00 0.00 179.25 178.89 2ovv h VAL 521 N 0.31 1.32 -0.49 0.00 2.07 -1.40 -1.49 116.25 116.57 2ovv h VAL 521 Ca 0.13 -1.62 -0.13 0.00 0.82 0.00 0.00 66.70 65.90 2ovv h VAL 521 Cb 0.05 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 2ovv h VAL 521 CO -0.09 0.50 -0.18 0.74 0.02 0.00 0.00 177.57 178.55 2ovv h THR 522 N 0.34 1.27 -0.64 2.57 2.02 -0.76 0.47 112.91 118.18 2ovv h THR 522 Ca 0.03 -1.35 -0.09 0.00 0.77 0.00 0.00 66.41 65.77 2ovv h THR 522 Cb 0.92 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 68.39 2ovv h THR 522 CO 0.08 0.47 0.06 0.58 0.37 0.00 0.00 175.52 177.08 2ovv h VAL 523 N 0.86 1.26 -0.66 3.16 2.07 -0.81 -1.71 116.25 120.42 2ovv h VAL 523 Ca 0.12 -1.09 -0.05 0.00 0.82 0.00 0.00 66.70 66.49 2ovv h VAL 523 Cb 0.76 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 2ovv h VAL 523 CO 0.06 0.40 0.21 0.00 0.02 0.00 0.00 177.57 178.26 2ovv h ALA 524 N 1.04 0.86 -0.83 1.67 0.00 -0.99 -2.12 119.26 118.89 2ovv h ALA 524 Ca 0.19 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2ovv h ALA 524 Cb 0.49 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 2ovv h ALA 524 CO 0.02 0.53 0.46 1.25 0.00 0.00 0.00 179.25 181.52 2ovv h HIS 525 N 0.95 1.12 -0.94 0.00 6.17 -0.64 -0.26 115.15 121.55 2ovv h HIS 525 Ca 0.21 -0.02 -0.01 0.00 0.71 0.00 0.00 60.37 61.26 2ovv h HIS 525 Cb 0.30 -0.36 -0.05 0.00 2.52 0.00 0.00 27.41 29.82 2ovv h HIS 525 CO 0.02 0.78 0.57 0.00 0.71 0.00 0.00 177.93 180.01 2ovv h MET 527 N 1.30 0.52 -0.66 0.00 -1.53 -0.72 -1.15 114.93 112.69 2ovv h MET 527 Ca 0.34 -0.11 0.14 0.00 -3.44 0.00 0.00 59.70 56.63 2ovv h MET 527 Cb -0.05 -0.08 -0.11 0.00 -0.55 0.00 0.00 31.60 30.81 2ovv h MET 527 CO -0.06 0.55 0.00 -0.92 0.14 0.00 0.00 176.91 176.62 2ovv h TYR 528 N 0.39 -0.04 -0.50 1.39 3.20 -0.65 0.48 116.97 121.23 2ovv h TYR 528 Ca 0.11 0.05 -0.05 0.00 3.14 0.00 0.00 58.73 61.97 2ovv h TYR 528 Cb 0.24 0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.61 2ovv h TYR 528 CO 0.01 -0.18 0.11 0.00 -1.64 0.00 0.00 178.16 176.45 2ovv h ALA 529 N 1.60 0.66 -0.26 1.82 0.00 -0.61 0.12 119.26 122.59 2ovv h ALA 529 Ca 0.35 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 2ovv h ALA 529 Cb 0.57 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2ovv h ALA 529 CO -0.56 0.36 0.15 0.82 0.00 0.00 0.00 179.25 180.02 2ovv h ILE 530 N 0.69 1.11 -0.59 0.00 2.04 -0.77 -2.63 117.51 117.35 2ovv h ILE 530 Ca 0.15 -0.28 -0.10 0.00 1.00 0.00 0.00 64.86 65.63 2ovv h ILE 530 Cb 0.35 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 2ovv h ILE 530 CO 0.00 0.11 -0.02 -0.07 0.00 0.00 0.00 178.15 178.18 2ovv h LEU 531 N 0.32 1.04 -1.55 1.44 3.38 -0.62 -2.15 115.31 117.17 2ovv h LEU 531 Ca 0.09 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 2ovv h LEU 531 Cb 0.04 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 2ovv h LEU 531 CO -0.02 1.10 -0.01 1.56 0.09 0.00 0.00 178.44 181.16 2ovv h GLN 532 N 0.95 0.27 -0.25 1.13 1.08 -0.73 -2.83 115.11 114.74 2ovv h GLN 532 Ca 0.17 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.32 2ovv h GLN 532 Cb 0.58 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.96 2ovv h GLN 532 CO 0.03 0.31 0.00 0.09 -0.95 0.00 0.00 178.83 178.31 2ovv n ASN 533 N -4.37 2.79 -2.65 1.46 3.02 -1.00 -4.17 115.26 110.35 2ovv n ASN 533 Ca -0.00 -1.89 -0.18 0.00 -0.03 0.00 0.00 54.58 52.47 2ovv n ASN 533 Cb 0.19 -0.16 0.01 0.00 -0.61 0.00 0.00 39.78 39.21 2ovv n ASN 533 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2ovv n ASN 534 N 1.08 2.95 -4.69 6.41 3.02 -0.83 -4.70 115.26 118.49 2ovv n ASN 534 Ca 0.18 -3.22 -0.44 0.00 -0.03 0.00 0.00 54.58 51.07 2ovv n ASN 534 Cb 0.52 -0.51 -0.03 0.00 -0.61 0.00 0.00 39.78 39.15 2ovv n ASN 534 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2ovv n ASN 535 N -0.22 3.20 0.00 6.41 5.15 -1.22 -2.80 115.26 125.79 2ovv n ASN 535 Ca 0.24 1.12 0.00 0.00 -0.60 0.00 0.00 54.58 55.34 2ovv n ASN 535 Cb 0.71 -1.48 0.00 0.00 -0.53 0.00 0.00 39.78 38.48 2ovv n ASN 535 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2ovv n GLY 536 N 2.70 0.73 0.12 8.20 0.00 -1.26 -4.93 105.19 110.75 2ovv n GLY 536 Ca 0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 2ovv n GLY 536 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2ovv h LEU 537 N 0.00 0.36 -9.56 0.99 3.38 -1.90 -3.47 115.31 105.11 2ovv h LEU 537 Ca 0.00 -0.87 -0.66 0.00 0.09 0.00 0.00 57.88 56.44 2ovv h LEU 537 Cb 0.00 -0.12 -0.10 0.00 0.09 0.00 0.00 40.66 40.54 2ovv h LEU 537 CO 0.00 1.50 -0.56 -0.36 0.09 0.00 0.00 178.44 179.12 2ovv s PHE 538 N -2.44 3.36 0.83 1.13 0.08 -1.26 -5.11 117.98 114.56 2ovv s PHE 538 Ca -0.18 0.28 -0.11 0.00 0.12 0.00 0.00 56.93 57.04 2ovv s PHE 538 Cb 0.03 -1.79 0.09 0.00 -0.57 0.00 0.00 43.02 40.77 2ovv s PHE 538 CO 0.77 0.58 1.09 0.95 -0.10 0.00 0.00 175.22 178.52 2ovv s THR 539 N -1.13 3.04 0.24 0.64 -4.23 -1.26 -4.82 115.64 108.12 2ovv s THR 539 Ca 0.21 0.34 -0.05 0.00 -1.18 0.00 0.00 61.69 61.00 2ovv s THR 539 Cb -0.12 -2.91 0.22 0.00 1.34 0.00 0.00 72.50 71.03 2ovv s THR 539 CO 0.11 -0.44 1.71 0.44 -0.54 0.00 0.00 174.62 175.90 2ovv h ASP 540 N -1.26 0.16 -0.49 3.99 3.32 -1.99 -0.49 116.42 119.64 2ovv h ASP 540 Ca -0.47 0.12 -0.11 0.00 0.02 0.00 0.00 57.03 56.60 2ovv h ASP 540 Cb 1.26 0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.93 2ovv h ASP 540 CO 0.55 0.04 -0.10 0.25 -1.72 0.00 0.00 179.24 178.26 2ovv h LEU 541 N 0.36 0.95 -0.62 1.55 5.85 -1.98 -1.53 115.31 119.88 2ovv h LEU 541 Ca 0.41 -0.35 -0.07 0.00 0.84 0.00 0.00 57.88 58.70 2ovv h LEU 541 Cb 0.65 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 2ovv h LEU 541 CO -0.44 1.08 0.13 -0.33 -0.34 0.00 0.00 178.44 178.53 2ovv h GLU 542 N 0.80 1.02 -0.18 1.25 5.08 -1.69 -0.50 114.58 120.36 2ovv h GLU 542 Ca 0.13 -0.26 -0.04 0.00 -1.00 0.00 0.00 59.36 58.19 2ovv h GLU 542 Cb 0.66 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 2ovv h GLU 542 CO 0.05 0.94 -0.05 0.00 -1.00 0.00 0.00 179.01 178.95 2ovv h ARG 543 N 0.93 0.34 -0.10 2.33 3.08 -0.92 0.15 114.38 120.20 2ovv h ARG 543 Ca 0.19 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2ovv h ARG 543 Cb 0.40 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.42 2ovv h ARG 543 CO 0.01 0.61 0.06 0.87 -1.07 0.00 0.00 179.97 180.45 2ovv h LYS 544 N 0.05 0.13 -0.33 0.04 1.57 -1.25 -2.14 116.57 114.63 2ovv h LYS 544 Ca 0.04 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.85 2ovv h LYS 544 Cb 0.49 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.73 2ovv h LYS 544 CO 0.02 0.09 0.11 0.78 -0.57 0.00 0.00 179.45 179.87 2ovv h GLY 545 N 0.13 0.41 1.10 3.86 0.00 -0.99 -2.07 103.07 105.51 2ovv h GLY 545 Ca 0.04 -0.06 -0.07 0.00 0.00 0.00 0.00 47.33 47.24 2ovv h GLY 545 CO -0.01 0.02 0.18 1.41 0.00 0.00 0.00 176.54 178.15 2ovv h LEU 546 N 0.24 1.05 -0.37 3.11 3.38 -0.60 0.12 115.31 122.25 2ovv h LEU 546 Ca 0.15 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 2ovv h LEU 546 Cb 0.13 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2ovv h LEU 546 CO -0.16 1.00 0.07 -0.07 0.09 0.00 0.00 178.44 179.38 2ovv h LEU 547 N 1.06 0.58 -0.77 1.67 3.38 -1.26 -0.50 115.31 119.47 2ovv h LEU 547 Ca 0.22 -0.25 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 2ovv h LEU 547 Cb 0.35 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 2ovv h LEU 547 CO 0.00 0.68 0.02 0.40 0.09 0.00 0.00 178.44 179.63 2ovv h ILE 548 N 0.46 1.26 -0.37 1.22 1.08 -1.24 -1.85 117.51 118.07 2ovv h ILE 548 Ca 0.11 -1.07 0.00 0.00 -0.39 0.00 0.00 64.86 63.52 2ovv h ILE 548 Cb 0.34 0.80 -0.02 0.00 -3.07 0.00 0.00 36.82 34.87 2ovv h ILE 548 CO 0.00 0.39 0.23 0.00 -0.69 0.00 0.00 178.15 178.08 2ovv h ALA 549 N 1.13 0.46 -0.50 1.87 0.00 -0.58 -0.89 119.26 120.75 2ovv h ALA 549 Ca 0.17 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.06 2ovv h ALA 549 Cb 0.49 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 2ovv h ALA 549 CO 0.02 -0.06 0.29 0.00 0.00 0.00 0.00 179.25 179.50 2ovv h LEU 551 N 0.57 0.05 -1.68 0.00 5.85 -1.01 -3.03 115.31 116.07 2ovv h LEU 551 Ca 0.21 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.92 2ovv h LEU 551 Cb 0.05 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.06 2ovv h LEU 551 CO -0.11 0.21 -0.07 0.00 -0.34 0.00 0.00 178.44 178.13 2ovv h HIS 553 N 3.85 0.00 -0.02 0.00 2.07 -0.86 -2.32 115.15 117.88 2ovv h HIS 553 Ca 0.00 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.51 2ovv h HIS 553 Cb 0.85 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.83 2ovv h HIS 553 CO 0.00 0.00 -0.31 -0.25 -3.07 0.00 0.00 177.93 174.30 2ovv n ASP 554 N -2.32 1.99 -4.68 3.10 8.00 -1.26 -4.84 116.55 116.53 2ovv n ASP 554 Ca 0.03 -3.63 -0.45 0.00 0.71 0.00 0.00 54.79 51.45 2ovv n ASP 554 Cb 0.31 -0.50 -0.04 0.00 -0.02 0.00 0.00 41.12 40.87 2ovv n ASP 554 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2ovv n LEU 555 N -1.21 3.36 -1.39 0.64 4.77 -0.87 -1.91 117.00 120.39 2ovv n LEU 555 Ca 0.19 1.07 -0.11 0.00 -0.03 0.00 0.00 56.01 57.12 2ovv n LEU 555 Cb 0.69 -1.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.32 2ovv n LEU 555 CO -0.01 -0.15 -0.11 -0.67 -1.33 0.00 0.00 177.39 175.12 2ovv n ASP 556 N 3.77 -3.74 -4.74 -1.43 2.03 -0.59 -4.41 116.55 107.44 2ovv n ASP 556 Ca 0.17 -0.04 -0.41 0.00 0.52 0.00 0.00 54.79 55.03 2ovv n ASP 556 Cb 0.31 -2.89 -0.04 0.00 -0.72 0.00 0.00 41.12 37.78 2ovv n ASP 556 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 2ovv s HIS 557 N -2.63 3.53 -2.51 -0.67 2.46 -0.80 -4.95 115.29 109.71 2ovv s HIS 557 Ca 0.04 1.56 0.24 0.00 0.47 0.00 0.00 55.06 57.37 2ovv s HIS 557 Cb -0.02 -3.33 0.15 0.00 -0.13 0.00 0.00 32.58 29.25 2ovv s HIS 557 CO 0.05 -0.80 1.21 0.54 -2.47 0.00 0.00 174.74 173.27 2ovv n ARG 558 N 2.15 1.75 -0.47 2.88 3.00 -1.26 -4.45 116.66 120.27 2ovv n ARG 558 Ca 0.02 -1.43 0.00 0.00 -0.01 0.00 0.00 57.85 56.43 2ovv n ARG 558 Cb 0.45 -1.47 0.00 0.00 0.00 0.00 0.00 32.46 31.44 2ovv n ARG 558 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2ovv n GLY 559 N 1.38 0.76 3.29 -0.13 0.00 -1.26 -5.00 105.19 104.23 2ovv n GLY 559 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 2ovv n GLY 559 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ovv s PHE 560 N -2.09 2.13 0.86 1.61 0.08 -1.26 -4.74 117.98 114.57 2ovv s PHE 560 Ca 0.00 -0.40 -0.12 0.00 0.12 0.00 0.00 56.93 56.53 2ovv s PHE 560 Cb 0.00 -1.33 0.10 0.00 -0.57 0.00 0.00 43.02 41.22 2ovv s PHE 560 CO 0.00 0.02 1.11 -1.54 -0.10 0.00 0.00 175.22 174.71 2ovv s SER 561 N -0.83 3.96 0.39 1.36 1.04 -1.26 -4.91 113.70 113.46 2ovv s SER 561 Ca 0.10 1.23 0.07 0.00 0.48 0.00 0.00 55.95 57.82 2ovv s SER 561 Cb -0.09 -1.90 0.80 0.00 0.10 0.00 0.00 66.02 64.92 2ovv s SER 561 CO 0.00 -2.30 2.00 0.78 0.98 0.00 0.00 173.24 174.71 2ovv h ASN 562 N -1.32 0.44 -0.26 7.02 2.35 -2.00 -2.20 115.58 119.61 2ovv h ASN 562 Ca -0.49 -0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 55.19 2ovv h ASN 562 Cb 1.29 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 39.54 2ovv h ASN 562 CO 0.59 0.39 0.03 -1.28 -1.65 0.00 0.00 177.43 175.52 2ovv h SER 563 N 0.49 0.43 -0.60 5.81 0.87 -1.99 -1.42 113.55 117.13 2ovv h SER 563 Ca 0.12 -0.27 -0.00 0.00 -1.23 0.00 0.00 61.79 60.41 2ovv h SER 563 Cb 0.08 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 61.90 2ovv h SER 563 CO -0.01 0.59 0.37 0.22 -0.53 0.00 0.00 176.83 177.47 2ovv h TYR 564 N 0.25 0.79 -0.85 2.24 3.20 -1.86 -0.71 116.97 120.03 2ovv h TYR 564 Ca 0.08 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.95 2ovv h TYR 564 Cb 0.35 -0.26 -0.04 0.00 1.54 0.00 0.00 36.73 38.32 2ovv h TYR 564 CO 0.03 0.53 0.52 -0.07 -1.64 0.00 0.00 178.16 177.53 2ovv h LEU 565 N 0.81 1.01 0.06 2.82 4.07 -1.19 0.39 115.31 123.29 2ovv h LEU 565 Ca 0.22 -0.05 -0.00 0.00 0.08 0.00 0.00 57.88 58.12 2ovv h LEU 565 Cb -0.03 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 41.46 2ovv h LEU 565 CO -0.04 0.77 -0.03 -0.61 -1.08 0.00 0.00 178.44 177.45 2ovv h GLN 566 N 1.17 -0.08 -0.48 1.13 4.15 -0.80 -0.36 115.11 119.84 2ovv h GLN 566 Ca 0.31 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.71 2ovv h GLN 566 Cb -0.06 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.62 2ovv h GLN 566 CO -0.06 0.22 0.23 0.87 -1.93 0.00 0.00 178.83 178.15 2ovv h LYS 567 N -0.39 0.68 0.00 1.69 1.57 -0.84 -1.20 116.57 118.07 2ovv h LYS 567 Ca -0.01 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 2ovv h LYS 567 Cb 0.34 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 2ovv h LYS 567 CO 0.01 0.53 -0.03 0.35 -0.57 0.00 0.00 179.45 179.74 2ovv h PHE 568 N 0.68 0.00 -3.90 -1.35 3.57 -0.13 -3.47 116.94 112.34 2ovv h PHE 568 Ca 0.17 0.00 -0.22 0.00 3.53 0.00 0.00 57.97 61.45 2ovv h PHE 568 Cb 0.08 0.00 0.09 0.00 2.79 0.00 0.00 35.95 38.91 2ovv h PHE 568 CO 0.01 0.03 -0.41 -3.47 -2.23 0.00 0.00 178.31 172.24 2ovv n ASP 569 N -3.12 -4.00 -4.77 0.41 2.03 -0.45 -5.00 116.55 101.64 2ovv n ASP 569 Ca 0.02 -0.33 -0.40 0.00 0.52 0.00 0.00 54.79 54.60 2ovv n ASP 569 Cb 0.39 -3.16 -0.01 0.00 -0.72 0.00 0.00 41.12 37.62 2ovv n ASP 569 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 2ovv s HIS 570 N -3.19 2.88 0.46 -0.67 5.65 -0.25 -4.92 115.29 115.26 2ovv s HIS 570 Ca 0.27 1.42 0.24 0.00 0.25 0.00 0.00 55.06 57.23 2ovv s HIS 570 Cb -0.12 -3.66 1.25 0.00 -1.18 0.00 0.00 32.58 28.87 2ovv s HIS 570 CO 0.43 -2.00 1.84 -1.35 -0.65 0.00 0.00 174.74 173.00 2ovv h PRO 571 N 2.83 0.24 -0.22 2.88 0.11 -1.94 -0.93 132.00 134.96 2ovv h PRO 571 Ca -0.49 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 2ovv h PRO 571 Cb 1.24 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 2ovv h PRO 571 CO 0.63 0.16 0.03 -0.07 -0.21 0.00 0.00 178.00 178.54 2ovv h LEU 572 N 0.25 0.29 -1.26 2.35 3.38 -1.94 -1.74 115.31 116.64 2ovv h LEU 572 Ca 0.50 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.43 2ovv h LEU 572 Cb 1.51 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.19 2ovv h LEU 572 CO -0.14 0.33 0.00 0.00 0.09 0.00 0.00 178.44 178.72 2ovv h ALA 573 N 1.72 1.00 0.09 1.53 0.00 -1.37 0.11 119.26 122.34 2ovv h ALA 573 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.68 2ovv h ALA 573 Cb 0.17 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2ovv h ALA 573 CO 0.00 0.00 -1.61 0.00 0.00 0.00 0.00 179.25 177.64 2ovv h ALA 574 N 2.02 0.40 -0.29 0.00 0.00 -1.36 -3.29 119.26 116.74 2ovv h ALA 574 Ca 0.00 -1.21 -0.08 0.00 0.00 0.00 0.00 54.91 53.61 2ovv h ALA 574 Cb 0.55 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2ovv h ALA 574 CO 0.00 1.26 -0.14 1.25 0.00 0.00 0.00 179.25 181.62 2ovv h LEU 575 N 0.05 0.62 -7.15 0.00 5.85 -1.16 -3.41 115.31 110.10 2ovv h LEU 575 Ca -0.27 -0.41 -0.59 0.00 0.84 0.00 0.00 57.88 57.46 2ovv h LEU 575 Cb 2.00 -0.17 -0.40 0.00 0.37 0.00 0.00 40.66 42.46 2ovv h LEU 575 CO 0.13 0.89 -0.75 -0.31 -0.34 0.00 0.00 178.44 178.06 2ovv s TYR 576 N -4.60 1.82 0.17 1.25 2.02 0.37 -5.02 117.35 113.37 2ovv s TYR 576 Ca -0.13 -1.87 -0.04 0.00 -0.37 0.00 0.00 57.07 54.66 2ovv s TYR 576 Cb 0.08 -1.78 0.06 0.00 -0.40 0.00 0.00 41.96 39.92 2ovv s TYR 576 CO 0.79 -0.87 1.46 0.66 -1.57 0.00 0.00 175.55 176.02 2ovv h SER 577 N 7.92 0.63 -3.41 2.29 4.64 -1.81 -3.37 113.55 120.44 2ovv h SER 577 Ca -0.12 -0.36 -0.66 0.00 -0.47 0.00 0.00 61.79 60.18 2ovv h SER 577 Cb 1.01 -0.18 -0.17 0.00 -0.31 0.00 0.00 62.40 62.74 2ovv h SER 577 CO 0.47 1.10 -0.78 0.42 -0.87 0.00 0.00 176.83 177.17 2ovv s THR 578 N -3.86 2.91 -1.49 2.95 -4.23 -1.26 -4.67 115.64 105.98 2ovv s THR 578 Ca -0.07 -1.62 -0.01 0.00 -1.18 0.00 0.00 61.69 58.81 2ovv s THR 578 Cb 0.11 -2.38 0.01 0.00 1.34 0.00 0.00 72.50 71.58 2ovv s THR 578 CO 0.85 0.00 0.24 -1.20 -0.54 0.00 0.00 174.62 173.97 2ovv n SER 579 N 0.47 0.17 0.19 3.99 7.64 -1.26 -4.79 113.62 120.03 2ovv n SER 579 Ca -0.13 -1.14 -0.15 0.00 1.01 0.00 0.00 58.87 58.46 2ovv n SER 579 Cb 0.54 -2.34 -0.07 0.00 -1.01 0.00 0.00 64.21 61.33 2ovv n SER 579 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2ovv h THR 580 N -1.79 0.29 -0.44 0.44 2.02 -1.83 -0.60 112.91 111.00 2ovv h THR 580 Ca -0.64 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 66.47 2ovv h THR 580 Cb 1.39 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 68.07 2ovv h THR 580 CO 0.67 0.00 -0.01 0.24 0.37 0.00 0.00 175.52 176.79 2ovv h MET 581 N -0.67 0.73 -0.41 6.66 2.86 -1.89 -2.50 114.93 119.71 2ovv h MET 581 Ca -0.01 -0.19 -0.10 0.00 -2.06 0.00 0.00 59.70 57.35 2ovv h MET 581 Cb 0.63 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.19 2ovv h MET 581 CO -0.11 0.75 -0.12 0.93 1.06 0.00 0.00 176.91 179.43 2ovv h GLU 582 N 0.68 0.80 -0.78 1.72 3.07 -1.76 0.28 114.58 118.59 2ovv h GLU 582 Ca 0.13 -0.31 0.00 0.00 -0.50 0.00 0.00 59.36 58.68 2ovv h GLU 582 Cb 0.44 -0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 28.27 2ovv h GLU 582 CO 0.02 0.93 0.51 1.96 -1.40 0.00 0.00 179.01 181.03 2ovv h GLN 583 N 0.62 1.04 -0.36 2.33 4.20 -0.97 -1.55 115.11 120.42 2ovv h GLN 583 Ca 0.10 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 2ovv h GLN 583 Cb 0.65 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 2ovv h GLN 583 CO 0.04 0.70 0.17 1.25 -0.67 0.00 0.00 178.83 180.32 2ovv h HIS 584 N 1.07 0.53 -0.67 2.96 2.76 -0.94 -0.72 115.15 120.13 2ovv h HIS 584 Ca 0.29 -0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.43 2ovv h HIS 584 Cb -0.11 -0.16 -0.03 0.00 1.55 0.00 0.00 27.41 28.66 2ovv h HIS 584 CO 0.00 0.46 0.44 0.45 -1.30 0.00 0.00 177.93 177.97 2ovv h HIS 585 N 0.45 0.86 -0.55 5.26 3.86 0.21 -0.08 115.15 125.15 2ovv h HIS 585 Ca 0.12 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.31 2ovv h HIS 585 Cb 0.13 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 28.29 2ovv h HIS 585 CO -0.01 0.55 0.19 0.35 0.86 0.00 0.00 177.93 179.87 2ovv h PHE 586 N 0.91 0.87 -1.01 2.45 3.57 -1.19 -1.67 116.94 120.87 2ovv h PHE 586 Ca 0.25 -0.08 0.05 0.00 3.53 0.00 0.00 57.97 61.71 2ovv h PHE 586 Cb -0.09 -0.26 -0.06 0.00 2.79 0.00 0.00 35.95 38.33 2ovv h PHE 586 CO -0.02 0.73 0.66 1.03 -2.23 0.00 0.00 178.31 178.47 2ovv h SER 587 N 0.77 1.08 -0.49 0.41 0.87 -0.39 -2.06 113.55 113.75 2ovv h SER 587 Ca 0.18 -0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.64 2ovv h SER 587 Cb 0.25 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.95 2ovv h SER 587 CO -0.01 0.73 -0.03 1.56 -0.53 0.00 0.00 176.83 178.54 2ovv h GLN 588 N 1.25 0.93 -0.06 2.24 1.08 -0.84 -1.51 115.11 118.20 2ovv h GLN 588 Ca 0.41 -0.29 0.00 0.00 -1.45 0.00 0.00 58.65 57.32 2ovv h GLN 588 Cb 0.05 -0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 27.39 2ovv h GLN 588 CO -0.14 0.94 0.03 1.15 -0.95 0.00 0.00 178.83 179.87 2ovv h THR 589 N 0.85 1.00 -0.33 -0.54 2.02 -0.78 -1.03 112.91 114.10 2ovv h THR 589 Ca 0.15 -0.02 0.01 0.00 0.77 0.00 0.00 66.41 67.32 2ovv h THR 589 Cb 0.55 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.87 2ovv h THR 589 CO 0.03 0.01 0.20 0.58 0.37 0.00 0.00 175.52 176.71 2ovv h VAL 590 N 0.07 1.05 -0.87 3.16 2.07 -1.30 -1.77 116.25 118.66 2ovv h VAL 590 Ca 0.02 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 2ovv h VAL 590 Cb 0.00 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.33 2ovv h VAL 590 CO -0.01 0.08 0.50 0.28 0.02 0.00 0.00 177.57 178.43 2ovv h SER 591 N 0.41 1.07 -0.62 0.57 0.02 -1.08 -1.41 113.55 112.51 2ovv h SER 591 Ca 0.13 -0.08 -0.06 0.00 -0.84 0.00 0.00 61.79 60.94 2ovv h SER 591 Cb -0.01 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.23 2ovv h SER 591 CO -0.05 0.85 0.16 0.40 -1.14 0.00 0.00 176.83 177.04 2ovv h ILE 592 N 1.22 1.25 0.00 3.27 2.04 -0.94 -2.64 117.51 121.71 2ovv h ILE 592 Ca 0.31 -0.91 -0.02 0.00 1.00 0.00 0.00 64.86 65.24 2ovv h ILE 592 Cb -0.00 0.65 -0.00 0.00 -0.74 0.00 0.00 36.82 36.73 2ovv h ILE 592 CO -0.05 0.34 -0.11 -0.07 0.00 0.00 0.00 178.15 178.26 2ovv h LEU 593 N 0.91 0.00 -0.32 1.44 3.38 -0.62 -2.85 115.31 117.25 2ovv h LEU 593 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2ovv h LEU 593 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2ovv h LEU 593 CO 0.00 0.11 -0.25 0.00 0.09 0.00 0.00 178.44 178.39 2ovv n GLN 594 N -3.98 0.62 -2.32 1.13 6.02 -0.60 -3.24 117.38 115.01 2ovv n GLN 594 Ca -0.02 -0.32 -0.38 0.00 -0.01 0.00 0.00 57.00 56.27 2ovv n GLN 594 Cb 0.20 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 29.95 2ovv n GLN 594 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2ovv s LEU 595 N -2.60 4.18 0.18 1.08 1.43 -1.08 -4.95 118.68 116.92 2ovv s LEU 595 Ca 0.23 2.30 -0.33 0.00 -1.03 0.00 0.00 54.13 55.30 2ovv s LEU 595 Cb 0.19 -4.05 -0.13 0.00 0.03 0.00 0.00 46.19 42.23 2ovv s LEU 595 CO 0.54 -0.66 1.64 1.21 0.23 0.00 0.00 176.35 179.31 2ovv n GLU 596 N 0.04 2.42 -0.89 1.70 2.13 -1.26 -1.28 120.64 123.49 2ovv n GLU 596 Ca 0.04 0.87 0.00 0.00 0.66 0.00 0.00 57.16 58.74 2ovv n GLU 596 Cb 0.47 -2.67 0.00 0.00 0.27 0.00 0.00 31.44 29.50 2ovv n GLU 596 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2ovv n GLY 597 N 3.66 0.94 0.56 8.31 0.00 -1.26 -4.90 105.19 112.49 2ovv n GLY 597 Ca 0.17 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.27 2ovv n GLY 597 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2ovv n HIS 598 N -2.02 0.00 -2.46 1.61 8.25 -0.40 -4.72 115.22 115.47 2ovv n HIS 598 Ca 0.00 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.07 2ovv n HIS 598 Cb 0.00 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 2ovv n HIS 598 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 2ovv s ASN 599 N -1.77 6.31 0.00 0.41 2.47 -1.20 -4.65 114.94 116.51 2ovv s ASN 599 Ca 0.18 -1.69 0.09 0.00 0.42 0.00 0.00 52.86 51.85 2ovv s ASN 599 Cb 0.15 -2.57 0.42 0.00 -1.45 0.00 0.00 41.25 37.79 2ovv s ASN 599 CO 0.33 -1.70 1.24 2.30 -3.72 0.00 0.00 177.10 175.56 2ovv n ILE 600 N 6.94 1.15 -1.16 -5.21 -5.35 -1.26 -1.99 119.36 112.47 2ovv n ILE 600 Ca 0.40 0.29 -0.03 0.00 -0.27 0.00 0.00 62.75 63.14 2ovv n ILE 600 Cb 0.48 -1.13 0.25 0.00 -1.74 0.00 0.00 39.64 37.51 2ovv n ILE 600 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 2ovv n PHE 601 N -1.41 1.73 0.21 4.28 3.72 -1.26 -4.73 117.46 120.00 2ovv n PHE 601 Ca 0.03 -1.28 0.09 0.00 -0.05 0.00 0.00 57.45 56.23 2ovv n PHE 601 Cb 0.09 -0.56 0.40 0.00 -0.94 0.00 0.00 39.48 38.48 2ovv n PHE 601 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2ovv h SER 602 N 1.83 0.00 0.42 4.37 4.64 -1.81 -2.55 113.55 120.44 2ovv h SER 602 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 2ovv h SER 602 Cb 1.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.05 2ovv h SER 602 CO 0.54 0.27 -0.10 0.35 -0.87 0.00 0.00 176.83 177.01 2ovv n THR 603 N -3.41 0.00 -2.42 2.95 -2.24 -1.26 -4.86 114.28 103.04 2ovv n THR 603 Ca 0.00 -0.05 -0.33 0.00 -2.27 0.00 0.00 64.05 61.41 2ovv n THR 603 Cb 0.47 -0.16 -0.03 0.00 -2.10 0.00 0.00 70.33 68.50 2ovv n THR 603 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2ovv s LEU 604 N -2.52 3.68 0.96 3.22 1.43 -0.96 -5.04 118.68 119.45 2ovv s LEU 604 Ca 0.28 1.66 -0.11 0.00 -1.03 0.00 0.00 54.13 54.93 2ovv s LEU 604 Cb 0.20 -4.52 0.17 0.00 0.03 0.00 0.00 46.19 42.06 2ovv s LEU 604 CO 0.48 -0.66 1.09 -1.54 0.23 0.00 0.00 176.35 175.95 2ovv n SER 605 N -1.44 -0.09 -0.33 2.29 3.41 -1.26 -4.77 113.62 111.43 2ovv n SER 605 Ca 0.07 0.32 0.03 0.00 -0.26 0.00 0.00 58.87 59.03 2ovv n SER 605 Cb 0.54 -1.43 0.17 0.00 -0.26 0.00 0.00 64.21 63.22 2ovv n SER 605 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2ovv h SER 606 N -2.02 0.89 -0.06 4.04 0.02 -1.96 -0.82 113.55 113.64 2ovv h SER 606 Ca -0.46 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.51 2ovv h SER 606 Cb 1.28 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 63.66 2ovv h SER 606 CO 0.42 0.54 0.03 0.28 -1.14 0.00 0.00 176.83 176.96 2ovv h SER 607 N 1.01 0.09 -0.42 3.07 0.02 -1.99 -1.54 113.55 113.78 2ovv h SER 607 Ca 0.41 -0.16 -0.04 0.00 -0.84 0.00 0.00 61.79 61.16 2ovv h SER 607 Cb 0.25 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 2ovv h SER 607 CO -0.20 0.22 0.12 -0.33 -1.14 0.00 0.00 176.83 175.50 2ovv h GLU 608 N -0.05 0.73 0.10 3.45 5.08 -1.87 -0.35 114.58 121.67 2ovv h GLU 608 Ca 0.02 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2ovv h GLU 608 Cb 0.16 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 2ovv h GLU 608 CO -0.00 0.66 -0.05 -0.92 -1.00 0.00 0.00 179.01 177.70 2ovv h TYR 609 N 0.71 -0.14 -0.47 4.33 3.20 -1.00 0.16 116.97 123.75 2ovv h TYR 609 Ca 0.16 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.01 2ovv h TYR 609 Cb 0.26 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 2ovv h TYR 609 CO 0.01 -0.09 0.20 0.93 -1.64 0.00 0.00 178.16 177.58 2ovv h GLU 610 N -0.14 0.67 0.12 1.82 5.08 -0.98 -1.34 114.58 119.80 2ovv h GLU 610 Ca -0.01 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 2ovv h GLU 610 Cb 0.11 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2ovv h GLU 610 CO 0.02 0.54 -0.06 0.37 -1.00 0.00 0.00 179.01 178.88 2ovv h GLN 611 N 0.67 -0.16 -0.33 2.33 4.15 -0.63 -2.09 115.11 119.05 2ovv h GLN 611 Ca 0.16 0.01 -0.10 0.00 0.77 0.00 0.00 58.65 59.50 2ovv h GLN 611 Cb 0.11 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.82 2ovv h GLN 611 CO -0.02 0.04 -0.21 -0.24 -1.93 0.00 0.00 178.83 176.47 2ovv h VAL 612 N -0.34 1.26 -0.16 2.39 3.04 -0.38 -1.55 116.25 120.52 2ovv h VAL 612 Ca -0.02 -1.26 -0.05 0.00 -1.01 0.00 0.00 66.70 64.37 2ovv h VAL 612 Cb 0.27 1.23 -0.01 0.00 -2.01 0.00 0.00 31.29 30.78 2ovv h VAL 612 CO 0.03 0.41 -0.13 -0.07 -1.01 0.00 0.00 177.57 176.80 2ovv h LEU 613 N 0.56 0.24 -0.45 3.16 4.07 -1.23 -0.69 115.31 120.97 2ovv h LEU 613 Ca 0.08 -0.05 -0.17 0.00 0.08 0.00 0.00 57.88 57.83 2ovv h LEU 613 Cb 0.66 -0.06 -0.00 0.00 1.08 0.00 0.00 40.66 42.34 2ovv h LEU 613 CO 0.05 0.39 -0.54 -0.08 -1.08 0.00 0.00 178.44 177.18 2ovv h GLU 614 N 0.24 0.67 -0.55 1.13 4.57 -0.93 0.11 114.58 119.81 2ovv h GLU 614 Ca 0.05 -0.42 -0.01 0.00 -1.18 0.00 0.00 59.36 57.80 2ovv h GLU 614 Cb 0.38 0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.99 2ovv h GLU 614 CO 0.02 1.04 0.29 0.82 -1.18 0.00 0.00 179.01 180.00 2ovv h ILE 615 N 0.51 1.19 -0.37 2.32 2.04 -0.65 -1.71 117.51 120.85 2ovv h ILE 615 Ca 0.01 -0.49 -0.09 0.00 1.00 0.00 0.00 64.86 65.29 2ovv h ILE 615 Cb 1.11 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 2ovv h ILE 615 CO 0.11 0.20 -0.14 0.40 0.00 0.00 0.00 178.15 178.73 2ovv h ILE 616 N 0.74 1.28 0.09 -0.67 2.04 -1.00 -1.92 117.51 118.06 2ovv h ILE 616 Ca 0.19 -1.24 -0.00 0.00 1.00 0.00 0.00 64.86 64.81 2ovv h ILE 616 Cb 0.06 1.32 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 2ovv h ILE 616 CO -0.03 0.41 -0.04 -0.09 0.00 0.00 0.00 178.15 178.40 2ovv h ARG 617 N 0.53 -0.11 -0.51 2.37 2.43 -0.58 -0.98 114.38 117.52 2ovv h ARG 617 Ca 0.09 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.20 2ovv h ARG 617 Cb 0.67 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.22 2ovv h ARG 617 CO 0.05 -0.00 0.06 0.87 -1.51 0.00 0.00 179.97 179.44 2ovv h LYS 618 N -0.20 0.81 -0.34 0.20 1.57 -1.28 -1.66 116.57 115.67 2ovv h LYS 618 Ca -0.01 -0.19 -0.06 0.00 -1.87 0.00 0.00 60.65 58.52 2ovv h LYS 618 Cb 0.16 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 2ovv h LYS 618 CO 0.02 0.78 -0.01 0.00 -0.57 0.00 0.00 179.45 179.67 2ovv h ALA 619 N 1.30 0.46 -0.44 3.86 0.00 -1.03 -1.75 119.26 121.66 2ovv h ALA 619 Ca 0.16 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 2ovv h ALA 619 Cb 0.38 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2ovv h ALA 619 CO 0.01 0.23 0.05 0.82 0.00 0.00 0.00 179.25 180.36 2ovv h ILE 620 N 0.41 1.25 -0.88 0.00 2.04 -0.98 -2.74 117.51 116.61 2ovv h ILE 620 Ca 0.10 -0.94 0.00 0.00 1.00 0.00 0.00 64.86 65.02 2ovv h ILE 620 Cb 0.47 1.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.51 2ovv h ILE 620 CO 0.02 0.32 0.55 0.40 0.00 0.00 0.00 178.15 179.45 2ovv h ILE 621 N 0.59 1.24 0.00 -0.67 1.08 -1.27 -1.95 117.51 116.53 2ovv h ILE 621 Ca 0.13 -0.47 0.00 0.00 -0.39 0.00 0.00 64.86 64.13 2ovv h ILE 621 Cb 0.41 -0.03 0.00 0.00 -3.07 0.00 0.00 36.82 34.14 2ovv h ILE 621 CO 0.01 0.24 0.00 0.00 -0.69 0.00 0.00 178.15 177.71 2ovv h ALA 622 N 1.30 1.00 0.00 1.87 0.00 -1.01 -1.51 119.26 120.91 2ovv h ALA 622 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2ovv h ALA 622 Cb -0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2ovv h ALA 622 CO -0.06 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.44 2ovv n THR 623 N -3.02 0.33 -2.20 0.00 -2.24 -0.73 -4.49 114.28 101.92 2ovv n THR 623 Ca -0.02 0.08 -0.40 0.00 -2.27 0.00 0.00 64.05 61.44 2ovv n THR 623 Cb 0.12 -0.79 -0.03 0.00 -2.10 0.00 0.00 70.33 67.53 2ovv n THR 623 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2ovv s ASP 624 N -2.40 5.67 0.61 3.42 2.15 -0.57 -4.87 116.67 120.67 2ovv s ASP 624 Ca 0.20 0.27 0.29 0.00 0.43 0.00 0.00 52.55 53.74 2ovv s ASP 624 Cb 0.12 -2.54 1.59 0.00 -0.30 0.00 0.00 42.92 41.80 2ovv s ASP 624 CO 0.26 -2.08 1.98 0.25 -0.17 0.00 0.00 175.17 175.41 2ovv h LEU 625 N 14.86 0.00 -1.74 -1.34 5.85 -1.89 0.10 115.31 131.15 2ovv h LEU 625 Ca -0.27 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.42 2ovv h LEU 625 Cb 1.13 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.15 2ovv h LEU 625 CO 1.20 0.00 -0.16 0.00 -0.34 0.00 0.00 178.44 179.15 2ovv h ALA 626 N 1.56 1.60 0.00 1.25 0.00 -1.93 -2.25 119.26 119.49 2ovv h ALA 626 Ca 0.12 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2ovv h ALA 626 Cb 0.81 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2ovv h ALA 626 CO -0.00 0.20 0.00 -0.07 0.00 0.00 0.00 179.25 179.38 2ovv h LEU 627 N 0.00 0.00 -0.84 0.00 3.38 -1.11 -3.32 115.31 113.42 2ovv h LEU 627 Ca -0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 2ovv h LEU 627 Cb 0.31 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 2ovv h LEU 627 CO 0.02 0.00 0.06 0.22 0.09 0.00 0.00 178.44 178.84 2ovv h TYR 628 N 0.00 0.99 -0.11 1.13 3.20 -1.47 -2.42 116.97 118.28 2ovv h TYR 628 Ca 0.00 -0.13 -0.00 0.00 3.14 0.00 0.00 58.73 61.74 2ovv h TYR 628 Cb 0.77 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.76 2ovv h TYR 628 CO 0.00 0.86 0.06 0.74 -1.64 0.00 0.00 178.16 178.18 2ovv h PHE 629 N 0.87 0.15 -0.43 -3.82 0.04 -1.70 0.22 116.94 112.28 2ovv h PHE 629 Ca 0.17 -0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.82 2ovv h PHE 629 Cb 0.42 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.51 2ovv h PHE 629 CO 0.03 0.17 -0.23 0.78 -0.60 0.00 0.00 178.31 178.46 2ovv h GLY 630 N 0.08 0.94 0.91 -1.45 0.00 -1.78 -1.76 103.07 100.01 2ovv h GLY 630 Ca 0.04 -0.82 -0.02 0.00 0.00 0.00 0.00 47.33 46.53 2ovv h GLY 630 CO -0.01 0.75 0.11 -0.57 0.00 0.00 0.00 176.54 176.82 2ovv h ASN 631 N 0.75 0.41 -0.15 0.19 -1.24 -1.10 -2.00 115.58 112.44 2ovv h ASN 631 Ca 0.10 -0.17 -0.10 0.00 0.71 0.00 0.00 56.30 56.84 2ovv h ASN 631 Cb 0.77 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.70 2ovv h ASN 631 CO 0.06 0.47 -0.22 -0.09 -1.29 0.00 0.00 177.43 176.37 2ovv h ARG 632 N 0.32 0.59 -0.50 6.67 1.12 -0.46 -1.55 114.38 120.56 2ovv h ARG 632 Ca 0.10 -0.22 -0.02 0.00 -1.11 0.00 0.00 59.98 58.73 2ovv h ARG 632 Cb 0.20 -0.04 -0.02 0.00 -0.01 0.00 0.00 29.97 30.09 2ovv h ARG 632 CO -0.01 0.76 0.25 -0.22 -3.11 0.00 0.00 179.97 177.64 2ovv h LYS 633 N 0.52 0.72 -0.62 0.20 3.64 -1.00 -0.87 116.57 119.16 2ovv h LYS 633 Ca 0.08 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 2ovv h LYS 633 Cb 0.66 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.32 2ovv h LYS 633 CO 0.05 0.60 0.28 1.96 -2.27 0.00 0.00 179.45 180.07 2ovv h GLN 634 N 0.67 0.90 -0.33 1.90 1.08 -1.11 -1.50 115.11 116.72 2ovv h GLN 634 Ca 0.17 -0.14 -0.14 0.00 -1.45 0.00 0.00 58.65 57.09 2ovv h GLN 634 Cb 0.11 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.37 2ovv h GLN 634 CO -0.02 0.74 -0.36 -0.07 -0.95 0.00 0.00 178.83 178.16 2ovv h LEU 635 N 0.86 0.81 -0.48 1.46 3.38 -1.01 -1.43 115.31 118.89 2ovv h LEU 635 Ca 0.21 -0.35 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 2ovv h LEU 635 Cb 0.14 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2ovv h LEU 635 CO -0.02 1.09 0.06 -0.08 0.09 0.00 0.00 178.44 179.58 2ovv h GLU 636 N 0.63 0.80 -0.73 1.13 4.57 -1.05 0.09 114.58 120.02 2ovv h GLU 636 Ca 0.06 -0.22 0.00 0.00 -1.18 0.00 0.00 59.36 58.02 2ovv h GLU 636 Cb 0.91 -0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 29.37 2ovv h GLU 636 CO 0.08 0.82 0.46 1.49 -1.18 0.00 0.00 179.01 180.67 2ovv h GLU 637 N 0.67 0.98 -0.33 1.92 4.57 -0.99 -1.80 114.58 119.60 2ovv h GLU 637 Ca 0.14 -0.07 -0.17 0.00 -1.18 0.00 0.00 59.36 58.08 2ovv h GLU 637 Cb 0.41 -0.21 -0.00 0.00 -0.16 0.00 0.00 28.75 28.79 2ovv h GLU 637 CO 0.01 0.67 -0.48 0.52 -1.18 0.00 0.00 179.01 178.56 2ovv h MET 638 N 1.00 0.89 0.15 1.92 2.86 -0.88 -2.38 114.93 118.49 2ovv h MET 638 Ca 0.26 -0.52 0.00 0.00 -2.06 0.00 0.00 59.70 57.39 2ovv h MET 638 Cb -0.07 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 2ovv h MET 638 CO -0.05 1.16 -0.14 -0.92 1.06 0.00 0.00 176.91 178.01 2ovv h TYR 639 N 0.70 -0.37 -0.11 -0.22 3.20 -0.60 -0.00 116.97 119.56 2ovv h TYR 639 Ca 0.03 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.81 2ovv h TYR 639 Cb 1.08 0.14 -0.01 0.00 1.54 0.00 0.00 36.73 39.48 2ovv h TYR 639 CO 0.07 -0.22 -0.35 1.96 -1.64 0.00 0.00 178.16 177.97 2ovv h GLN 640 N -0.32 0.22 -0.09 1.82 1.08 -1.30 -2.21 115.11 114.32 2ovv h GLN 640 Ca 0.00 -0.09 0.00 0.00 -1.45 0.00 0.00 58.65 57.11 2ovv h GLN 640 Cb 0.30 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.72 2ovv h GLN 640 CO -0.03 0.55 0.00 0.25 -0.95 0.00 0.00 178.83 178.65 2ovv n THR 641 N -4.08 0.10 -1.88 -0.54 -2.24 -0.90 -4.95 114.28 99.79 2ovv n THR 641 Ca -0.01 -0.33 -0.17 0.00 -2.27 0.00 0.00 64.05 61.27 2ovv n THR 641 Cb 0.43 0.57 -0.04 0.00 -2.10 0.00 0.00 70.33 69.19 2ovv n THR 641 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ovv n GLY 642 N 1.19 0.75 0.34 3.38 0.00 -0.83 -4.92 105.19 105.11 2ovv n GLY 642 Ca 0.18 -0.19 0.12 0.00 0.00 0.00 0.00 46.02 46.12 2ovv n GLY 642 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ovv n SER 643 N -0.97 1.45 -4.71 1.61 3.41 -0.05 -4.93 113.62 109.43 2ovv n SER 643 Ca -0.18 -1.15 -0.42 0.00 -0.26 0.00 0.00 58.87 56.85 2ovv n SER 643 Cb 0.60 0.33 -0.03 0.00 -0.26 0.00 0.00 64.21 64.85 2ovv n SER 643 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2ovv s LEU 644 N -2.53 4.37 -0.20 1.04 2.96 -1.11 -4.98 118.68 118.23 2ovv s LEU 644 Ca 0.21 2.41 -0.02 0.00 -0.22 0.00 0.00 54.13 56.50 2ovv s LEU 644 Cb 0.19 -3.59 0.06 0.00 0.50 0.00 0.00 46.19 43.35 2ovv s LEU 644 CO 0.57 -0.72 0.03 0.21 -1.32 0.00 0.00 176.35 175.11 2ovv s ASN 645 N 1.24 3.05 0.26 3.68 2.47 -1.26 -5.01 114.94 119.36 2ovv s ASN 645 Ca 0.67 -0.89 0.24 0.00 0.42 0.00 0.00 52.86 53.30 2ovv s ASN 645 Cb -0.39 -0.66 0.97 0.00 -1.45 0.00 0.00 41.25 39.72 2ovv s ASN 645 CO 0.30 -0.30 1.72 0.18 -3.72 0.00 0.00 177.10 175.29 2ovv n LEU 646 N 5.01 0.70 0.03 3.21 4.77 -1.26 -1.84 117.00 127.62 2ovv n LEU 646 Ca -0.09 0.66 0.13 0.00 -0.03 0.00 0.00 56.01 56.67 2ovv n LEU 646 Cb 0.47 -0.55 0.52 0.00 -2.33 0.00 0.00 43.42 41.52 2ovv n LEU 646 CO 0.13 -0.52 0.90 1.41 -1.33 0.00 0.00 177.39 177.98 2ovv n HIS 647 N -2.26 0.26 -3.03 -1.77 8.25 -1.26 -4.59 115.22 110.81 2ovv n HIS 647 Ca 0.02 0.08 -0.42 0.00 -0.26 0.00 0.00 57.72 57.14 2ovv n HIS 647 Cb 0.25 -0.63 -0.06 0.00 1.12 0.00 0.00 29.99 30.68 2ovv n HIS 647 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 2ovv s ASN 648 N -3.41 6.48 0.23 0.41 3.84 -0.77 -4.98 114.94 116.74 2ovv s ASN 648 Ca 0.12 0.21 -0.07 0.00 0.21 0.00 0.00 52.86 53.32 2ovv s ASN 648 Cb 0.15 -2.36 0.38 0.00 -0.55 0.00 0.00 41.25 38.87 2ovv s ASN 648 CO 0.49 -0.69 1.70 -0.61 -2.79 0.00 0.00 177.10 175.21 2ovv h GLN 649 N 8.52 0.27 -0.83 0.43 5.75 -1.86 -0.59 115.11 126.81 2ovv h GLN 649 Ca -0.25 -0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.21 2ovv h GLN 649 Cb 1.10 -0.06 -0.04 0.00 1.07 0.00 0.00 27.48 29.55 2ovv h GLN 649 CO 0.88 0.18 0.43 0.66 -2.65 0.00 0.00 178.83 178.33 2ovv h SER 650 N 0.28 1.05 -0.35 -0.69 4.64 -1.94 0.49 113.55 117.04 2ovv h SER 650 Ca 0.36 -0.10 -0.03 0.00 -0.47 0.00 0.00 61.79 61.56 2ovv h SER 650 Cb 0.58 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 2ovv h SER 650 CO -0.45 0.86 0.12 0.45 -0.87 0.00 0.00 176.83 176.94 2ovv h HIS 651 N 1.17 0.55 -0.46 4.77 3.86 -1.69 -2.62 115.15 120.72 2ovv h HIS 651 Ca 0.29 -0.05 0.05 0.00 -1.16 0.00 0.00 60.37 59.50 2ovv h HIS 651 Cb 0.06 -0.16 -0.05 0.00 1.06 0.00 0.00 27.41 28.33 2ovv h HIS 651 CO 0.01 0.53 0.20 -0.09 0.86 0.00 0.00 177.93 179.44 2ovv h ARG 652 N 0.41 0.38 -0.88 2.45 2.43 -0.79 -1.14 114.38 117.23 2ovv h ARG 652 Ca 0.11 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.31 2ovv h ARG 652 Cb 0.24 -0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 29.64 2ovv h ARG 652 CO -0.00 0.25 0.56 -0.44 -1.51 0.00 0.00 179.97 178.83 2ovv h ASP 653 N 0.39 0.91 -0.28 -3.80 3.32 -0.80 -1.20 116.42 114.96 2ovv h ASP 653 Ca 0.21 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.24 2ovv h ASP 653 Cb 0.17 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 2ovv h ASP 653 CO -0.18 0.61 0.08 0.03 -1.72 0.00 0.00 179.24 178.06 2ovv h ARG 654 N 1.06 0.44 -0.62 3.56 3.08 -1.02 -0.70 114.38 120.18 2ovv h ARG 654 Ca 0.37 -0.10 0.05 0.00 0.07 0.00 0.00 59.98 60.37 2ovv h ARG 654 Cb 0.08 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.02 2ovv h ARG 654 CO -0.14 0.51 0.35 0.28 -1.07 0.00 0.00 179.97 179.89 2ovv h VAL 655 N 0.29 0.99 -0.68 2.04 2.07 -0.79 0.18 116.25 120.35 2ovv h VAL 655 Ca 0.09 -0.23 -0.05 0.00 0.82 0.00 0.00 66.70 67.34 2ovv h VAL 655 Cb 0.25 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 2ovv h VAL 655 CO -0.00 0.12 0.23 0.40 0.02 0.00 0.00 177.57 178.34 2ovv h ILE 656 N 0.66 1.24 -0.64 4.57 2.04 -1.10 -0.07 117.51 124.21 2ovv h ILE 656 Ca 0.27 -0.82 0.03 0.00 1.00 0.00 0.00 64.86 65.33 2ovv h ILE 656 Cb 0.13 0.47 -0.04 0.00 -0.74 0.00 0.00 36.82 36.65 2ovv h ILE 656 CO -0.16 0.32 0.40 1.23 0.00 0.00 0.00 178.15 179.94 2ovv h GLY 657 N 1.07 0.92 1.27 5.37 0.00 -0.08 -0.10 103.07 111.51 2ovv h GLY 657 Ca 0.22 -0.30 -0.14 0.00 0.00 0.00 0.00 47.33 47.11 2ovv h GLY 657 CO -0.01 0.26 -0.35 -2.00 0.00 0.00 0.00 176.54 174.44 2ovv h LEU 658 N 0.79 0.86 -0.61 3.11 5.85 -0.51 -0.80 115.31 124.00 2ovv h LEU 658 Ca 0.26 -0.37 0.04 0.00 0.84 0.00 0.00 57.88 58.64 2ovv h LEU 658 Cb 0.01 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.76 2ovv h LEU 658 CO -0.10 1.12 0.36 0.24 -0.34 0.00 0.00 178.44 179.72 2ovv h MET 659 N 0.68 0.67 -0.83 1.25 2.86 -0.68 -0.37 114.93 118.51 2ovv h MET 659 Ca 0.07 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.65 2ovv h MET 659 Cb 0.90 -0.15 -0.04 0.00 0.06 0.00 0.00 31.60 32.37 2ovv h MET 659 CO 0.08 0.45 0.45 0.52 1.06 0.00 0.00 176.91 179.47 2ovv h MET 660 N 0.69 1.15 -0.08 1.72 2.86 -0.41 -0.77 114.93 120.09 2ovv h MET 660 Ca 0.26 -0.13 0.01 0.00 -2.06 0.00 0.00 59.70 57.77 2ovv h MET 660 Cb 0.08 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.50 2ovv h MET 660 CO -0.13 0.85 0.03 1.15 1.06 0.00 0.00 176.91 179.86 2ovv h THR 661 N 1.15 0.98 -0.80 2.22 2.02 -0.80 -0.65 112.91 117.03 2ovv h THR 661 Ca 0.29 -0.02 0.09 0.00 0.77 0.00 0.00 66.41 67.54 2ovv h THR 661 Cb 0.03 0.91 -0.07 0.00 -1.74 0.00 0.00 68.15 67.27 2ovv h THR 661 CO -0.05 0.01 0.45 0.00 0.37 0.00 0.00 175.52 176.30 2ovv h ALA 662 N 1.05 1.13 -0.20 6.16 0.00 -0.62 0.11 119.26 126.89 2ovv h ALA 662 Ca 0.03 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 2ovv h ALA 662 Cb 0.02 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2ovv h ALA 662 CO -0.04 0.07 -0.46 0.00 0.00 0.00 0.00 179.25 178.83 2ovv h ASP 664 N 0.36 0.46 -0.15 0.00 3.58 -0.51 -2.60 116.42 117.55 2ovv h ASP 664 Ca -0.00 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.38 2ovv h ASP 664 Cb 1.07 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 42.00 2ovv h ASP 664 CO 0.10 0.50 0.00 0.18 -2.88 0.00 0.00 179.24 177.14 2ovv n LEU 665 N -4.32 1.68 0.00 2.28 4.77 0.31 -4.64 117.00 117.09 2ovv n LEU 665 Ca 0.02 -0.69 0.06 0.00 -0.03 0.00 0.00 56.01 55.36 2ovv n LEU 665 Cb 0.21 -0.10 0.31 0.00 -2.33 0.00 0.00 43.42 41.52 2ovv n LEU 665 CO 0.38 0.34 0.61 0.00 -1.33 0.00 0.00 177.39 177.39 2ovv h SER 667 N 0.00 0.04 0.00 0.00 4.64 -1.85 -1.08 113.55 115.30 2ovv h SER 667 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2ovv h SER 667 Cb 0.06 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 2ovv h SER 667 CO 0.00 0.02 0.00 1.33 -0.87 0.00 0.00 176.83 177.31 2ovv n VAL 668 N -4.42 0.00 -0.05 0.95 0.24 -0.83 -3.14 118.33 111.08 2ovv n VAL 668 Ca 0.07 0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.42 2ovv n VAL 668 Cb 0.49 -0.45 0.10 0.00 -1.47 0.00 0.00 33.84 32.51 2ovv n VAL 668 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2ovv n THR 669 N -0.93 0.83 -2.33 3.34 -2.24 -0.41 -3.66 114.28 108.88 2ovv n THR 669 Ca 0.20 -0.91 -0.26 0.00 -2.27 0.00 0.00 64.05 60.80 2ovv n THR 669 Cb 0.09 0.62 0.14 0.00 -2.10 0.00 0.00 70.33 69.07 2ovv n THR 669 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2ovv s LYS 670 N -0.95 1.29 0.67 -0.78 -0.14 -1.19 -4.49 119.74 114.16 2ovv s LYS 670 Ca 0.16 -0.82 -0.13 0.00 -1.36 0.00 0.00 55.97 53.81 2ovv s LYS 670 Cb 0.09 -2.14 0.00 0.00 -1.68 0.00 0.00 37.83 34.10 2ovv s LYS 670 CO 0.12 -1.81 1.08 -0.51 -0.76 0.00 0.00 175.35 173.46 2ovv s LEU 671 N -5.43 3.30 0.22 3.17 1.43 -1.26 -4.73 118.68 115.38 2ovv s LEU 671 Ca 0.69 1.83 -0.08 0.00 -1.03 0.00 0.00 54.13 55.54 2ovv s LEU 671 Cb -0.05 -4.53 0.36 0.00 0.03 0.00 0.00 46.19 42.00 2ovv s LEU 671 CO 0.48 -1.52 1.70 -0.25 0.23 0.00 0.00 176.35 176.99 2ovv h TRP 672 N -0.21 0.26 -0.59 0.29 -0.00 -1.97 -1.15 115.95 112.58 2ovv h TRP 672 Ca -0.46 0.04 -0.01 0.00 -0.00 0.00 0.00 58.89 58.46 2ovv h TRP 672 Cb 1.23 -0.01 -0.03 0.00 -0.00 0.00 0.00 29.16 30.34 2ovv h TRP 672 CO 0.58 -0.03 0.33 -1.35 -0.00 0.00 0.00 178.44 177.97 2ovv h PRO 673 N 0.29 0.80 -0.09 2.65 0.11 -1.99 0.38 132.00 134.14 2ovv h PRO 673 Ca 0.35 -0.08 -0.05 0.00 0.11 0.00 0.00 66.00 66.34 2ovv h PRO 673 Cb 0.54 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.49 2ovv h PRO 673 CO -0.43 0.58 -0.13 0.28 -0.21 0.00 0.00 178.00 178.09 2ovv h VAL 674 N 0.82 1.38 -0.05 3.15 2.07 -1.62 -2.63 116.25 119.37 2ovv h VAL 674 Ca 0.21 -1.35 0.02 0.00 0.82 0.00 0.00 66.70 66.40 2ovv h VAL 674 Cb 0.00 2.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 2ovv h VAL 674 CO -0.04 0.38 -0.06 0.74 0.02 0.00 0.00 177.57 178.62 2ovv h THR 675 N -0.19 0.83 -0.36 2.57 2.02 -0.90 0.52 112.91 117.41 2ovv h THR 675 Ca 0.01 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.24 2ovv h THR 675 Cb 0.68 0.83 -0.04 0.00 -1.74 0.00 0.00 68.15 67.87 2ovv h THR 675 CO 0.03 0.00 0.09 0.50 0.37 0.00 0.00 175.52 176.51 2ovv h LYS 676 N -0.08 0.22 -0.14 6.66 3.64 -1.02 -1.63 116.57 124.22 2ovv h LYS 676 Ca 0.04 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.30 2ovv h LYS 676 Cb 0.14 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 2ovv h LYS 676 CO -0.10 0.15 -0.41 -0.07 -2.27 0.00 0.00 179.45 176.75 2ovv h LEU 677 N 0.23 0.33 -0.66 5.20 3.38 -1.24 -2.96 115.31 119.58 2ovv h LEU 677 Ca 0.17 -0.14 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 2ovv h LEU 677 Cb 0.18 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2ovv h LEU 677 CO -0.20 0.71 -0.06 0.74 0.09 0.00 0.00 178.44 179.71 2ovv h THR 678 N 0.26 1.26 -0.53 0.22 2.02 -0.62 -2.53 112.91 113.00 2ovv h THR 678 Ca 0.02 -1.19 0.08 0.00 0.77 0.00 0.00 66.41 66.09 2ovv h THR 678 Cb 0.83 0.91 -0.03 0.00 -1.74 0.00 0.00 68.15 68.12 2ovv h THR 678 CO 0.07 0.42 0.35 0.00 0.37 0.00 0.00 175.52 176.73 2ovv h ALA 679 N 1.03 1.97 -0.85 6.16 0.00 -1.13 0.10 119.26 126.55 2ovv h ALA 679 Ca 0.15 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.11 2ovv h ALA 679 Cb 0.60 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 2ovv h ALA 679 CO 0.04 -0.07 0.55 -0.91 0.00 0.00 0.00 179.25 178.86 2ovv h ASN 680 N 0.41 0.82 0.22 0.00 2.35 -1.45 -0.70 115.58 117.23 2ovv h ASN 680 Ca 0.24 0.01 -0.24 0.00 -0.55 0.00 0.00 56.30 55.75 2ovv h ASN 680 Cb 0.40 -0.17 0.01 0.00 0.05 0.00 0.00 38.32 38.62 2ovv h ASN 680 CO -0.06 0.52 -0.97 0.44 -1.65 0.00 0.00 177.43 175.71 2ovv h ASP 681 N 0.93 0.66 0.02 5.81 3.32 -1.06 -1.29 116.42 124.81 2ovv h ASP 681 Ca 0.37 -0.52 -0.00 0.00 0.02 0.00 0.00 57.03 56.89 2ovv h ASP 681 Cb 0.25 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.59 2ovv h ASP 681 CO -0.14 1.32 -0.01 0.40 -1.72 0.00 0.00 179.24 179.10 2ovv h ILE 682 N 0.29 1.07 0.00 0.35 2.04 -0.91 -2.72 117.51 117.63 2ovv h ILE 682 Ca -0.09 -0.27 -0.08 0.00 1.00 0.00 0.00 64.86 65.41 2ovv h ILE 682 Cb 1.61 1.25 -0.01 0.00 -0.74 0.00 0.00 36.82 38.93 2ovv h ILE 682 CO 0.18 0.07 -0.37 1.88 0.00 0.00 0.00 178.15 179.90 2ovv h TYR 683 N -0.15 0.00 -0.95 1.37 0.05 -1.17 -2.43 116.97 113.70 2ovv h TYR 683 Ca -0.00 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.77 2ovv h TYR 683 Cb 0.14 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 37.83 2ovv h TYR 683 CO -0.04 0.37 0.58 0.00 -1.05 0.00 0.00 178.16 178.02 2ovv h ALA 684 N 1.63 1.20 -0.16 3.88 0.00 -0.95 0.38 119.26 125.25 2ovv h ALA 684 Ca -0.00 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 2ovv h ALA 684 Cb 0.67 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 2ovv h ALA 684 CO 0.05 0.65 -0.08 0.93 0.00 0.00 0.00 179.25 180.80 2ovv h GLU 685 N 1.30 0.33 -0.28 0.00 5.08 -1.19 -2.54 114.58 117.28 2ovv h GLU 685 Ca 0.34 -0.14 0.05 0.00 -1.00 0.00 0.00 59.36 58.61 2ovv h GLU 685 Cb -0.07 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.12 2ovv h GLU 685 CO -0.07 0.65 -0.03 0.74 -1.00 0.00 0.00 179.01 179.30 2ovv h PHE 686 N -0.00 -0.07 -0.75 4.33 0.04 -1.10 -1.36 116.94 118.02 2ovv h PHE 686 Ca 0.03 0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.77 2ovv h PHE 686 Cb 0.55 0.07 -0.03 0.00 2.20 0.00 0.00 35.95 38.74 2ovv h PHE 686 CO 0.07 -0.08 0.25 -1.49 -0.60 0.00 0.00 178.31 176.46 2ovv h TRP 687 N 0.05 1.20 -0.83 -0.55 6.55 -0.99 0.47 115.95 121.85 2ovv h TRP 687 Ca 0.14 -0.11 0.02 0.00 0.95 0.00 0.00 58.89 59.88 2ovv h TRP 687 Cb 0.19 -0.35 -0.04 0.00 -0.86 0.00 0.00 29.16 28.10 2ovv h TRP 687 CO -0.24 0.93 0.54 0.00 -1.05 0.00 0.00 178.44 178.63 2ovv h ALA 688 N 1.15 1.06 -0.27 1.49 0.00 -1.10 0.42 119.26 122.01 2ovv h ALA 688 Ca 0.24 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 2ovv h ALA 688 Cb 0.29 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2ovv h ALA 688 CO -0.01 0.42 0.10 1.49 0.00 0.00 0.00 179.25 181.26 2ovv h GLU 689 N 1.09 0.41 -0.69 0.00 4.81 -0.83 -1.36 114.58 118.01 2ovv h GLU 689 Ca 0.31 -0.08 0.15 0.00 -0.13 0.00 0.00 59.36 59.61 2ovv h GLU 689 Cb -0.08 -0.06 -0.12 0.00 0.63 0.00 0.00 28.75 29.11 2ovv h GLU 689 CO -0.08 0.45 -0.03 0.78 -0.73 0.00 0.00 179.01 179.39 2ovv h GLY 690 N 0.28 0.69 0.90 1.92 0.00 -0.55 0.16 103.07 106.48 2ovv h GLY 690 Ca 0.09 0.12 0.02 0.00 0.00 0.00 0.00 47.33 47.57 2ovv h GLY 690 CO -0.01 -0.25 0.36 -0.55 0.00 0.00 0.00 176.54 176.09 2ovv h ASP 691 N 0.08 0.59 -0.18 0.19 3.32 -0.50 -0.53 116.42 119.38 2ovv h ASP 691 Ca 0.36 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.36 2ovv h ASP 691 Cb 0.60 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.01 2ovv h ASP 691 CO -0.62 0.41 -0.03 -0.33 -1.72 0.00 0.00 179.24 176.96 2ovv h GLU 692 N 0.71 0.47 0.09 3.56 4.39 -0.05 -1.36 114.58 122.38 2ovv h GLU 692 Ca 0.23 -0.10 -0.00 0.00 0.34 0.00 0.00 59.36 59.82 2ovv h GLU 692 Cb -0.00 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.58 2ovv h GLU 692 CO -0.09 0.52 -0.04 0.52 -1.16 0.00 0.00 179.01 178.76 2ovv h MET 693 N 0.45 -0.11 -0.92 2.33 2.86 -0.05 -1.59 114.93 117.91 2ovv h MET 693 Ca 0.10 0.01 0.19 0.00 -2.06 0.00 0.00 59.70 57.93 2ovv h MET 693 Cb 0.34 0.03 -0.07 0.00 0.06 0.00 0.00 31.60 31.95 2ovv h MET 693 CO 0.01 0.18 0.59 0.87 1.06 0.00 0.00 176.91 179.62 2ovv h LYS 694 N -0.40 0.52 0.00 1.72 1.57 -0.77 -1.13 116.57 118.09 2ovv h LYS 694 Ca -0.01 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 2ovv h LYS 694 Cb 0.34 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 2ovv h LYS 694 CO 0.02 0.34 -0.03 0.87 -0.57 0.00 0.00 179.45 180.09 2ovv h LYS 695 N 0.53 0.00 -0.00 3.15 1.57 -0.72 -2.16 116.57 118.94 2ovv h LYS 695 Ca 0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.26 2ovv h LYS 695 Cb 1.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.33 2ovv h LYS 695 CO -0.22 0.03 -0.22 1.28 -0.57 0.00 0.00 179.45 179.75 2ovv n LEU 696 N -3.11 0.34 0.00 2.94 4.77 -0.51 -4.95 117.00 116.48 2ovv n LEU 696 Ca 0.02 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 2ovv n LEU 696 Cb 0.43 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2ovv n LEU 696 CO 0.31 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 2ovv n GLY 697 N 1.43 0.88 3.15 -0.72 0.00 -0.81 -5.08 105.19 104.04 2ovv n GLY 697 Ca 0.09 -0.18 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 2ovv n GLY 697 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ovv s ILE 698 N -2.00 1.97 -0.06 -0.61 1.01 -0.69 -5.00 121.20 115.82 2ovv s ILE 698 Ca 0.00 -0.92 -0.29 0.00 0.00 0.00 0.00 60.65 59.43 2ovv s ILE 698 Cb 0.00 -1.75 -0.07 0.00 0.01 0.00 0.00 42.46 40.65 2ovv s ILE 698 CO 0.00 0.53 1.88 -1.58 0.00 0.00 0.00 174.94 175.77 2ovv s GLN 699 N 0.89 3.96 0.71 2.79 2.00 -1.26 -2.53 119.66 126.23 2ovv s GLN 699 Ca -0.06 2.30 -0.13 0.00 -2.00 0.00 0.00 55.36 55.48 2ovv s GLN 699 Cb -0.15 -4.13 0.03 0.00 0.80 0.00 0.00 33.01 29.55 2ovv s GLN 699 CO -0.03 -1.14 1.10 -1.25 -0.50 0.00 0.00 175.29 173.48 2ovv s PRO 700 N 4.66 2.52 0.69 1.67 0.04 -1.26 -4.99 135.00 138.32 2ovv s PRO 700 Ca 0.84 1.30 -0.17 0.00 0.04 0.00 0.00 61.00 63.02 2ovv s PRO 700 Cb -0.37 -1.92 0.01 0.00 0.04 0.00 0.00 34.50 32.27 2ovv s PRO 700 CO 0.36 -1.46 1.24 0.96 0.04 0.00 0.00 177.00 178.14 2ovv s ILE 701 N -2.59 2.24 0.36 0.56 -4.36 -1.26 -4.81 121.20 111.34 2ovv s ILE 701 Ca 0.64 0.13 0.08 0.00 -0.26 0.00 0.00 60.65 61.24 2ovv s ILE 701 Cb -0.19 -2.87 0.31 0.00 1.25 0.00 0.00 42.46 40.96 2ovv s ILE 701 CO 0.48 -0.05 1.93 -0.65 0.24 0.00 0.00 174.94 176.89 2ovv h PRO 702 N 0.14 0.69 -0.86 0.37 0.11 -1.96 -0.86 132.00 129.64 2ovv h PRO 702 Ca -0.49 -0.04 0.22 0.00 0.11 0.00 0.00 66.00 65.80 2ovv h PRO 702 Cb 1.31 -0.16 -0.05 0.00 0.11 0.00 0.00 31.00 32.22 2ovv h PRO 702 CO 0.51 0.46 0.59 1.98 -0.21 0.00 0.00 178.00 181.34 2ovv h MET 703 N 0.71 0.17 -0.15 1.05 1.85 -1.93 -0.55 114.93 116.09 2ovv h MET 703 Ca 0.36 -0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.44 2ovv h MET 703 Cb 0.46 -0.04 0.00 0.00 0.43 0.00 0.00 31.60 32.45 2ovv h MET 703 CO -0.14 0.11 0.00 -1.33 -0.40 0.00 0.00 176.91 175.15 2ovv n MET 704 N -4.39 2.23 -3.45 0.39 2.81 -0.34 -4.62 117.12 109.75 2ovv n MET 704 Ca 0.18 -1.82 -0.43 0.00 -1.81 0.00 0.00 57.70 53.82 2ovv n MET 704 Cb 0.81 -1.47 -0.09 0.00 -0.71 0.00 0.00 33.22 31.75 2ovv n MET 704 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2ovv s ASP 705 N -1.81 6.07 0.64 7.83 -1.08 -0.21 -3.37 116.67 124.74 2ovv s ASP 705 Ca 0.33 -1.09 0.40 0.00 -0.52 0.00 0.00 52.55 51.68 2ovv s ASP 705 Cb 0.21 -2.15 2.19 0.00 -1.46 0.00 0.00 42.92 41.71 2ovv s ASP 705 CO 0.31 -0.52 2.31 0.08 0.52 0.00 0.00 175.17 177.87 2ovv h ARG 706 N 8.65 0.00 0.00 4.34 0.11 -1.85 0.28 114.38 125.91 2ovv h ARG 706 Ca -0.27 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.81 2ovv h ARG 706 Cb 1.11 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.19 2ovv h ARG 706 CO 0.78 0.01 0.00 -0.44 0.10 0.00 0.00 179.97 180.41 2ovv h ASP 707 N 0.00 0.00 -0.75 0.08 3.32 -1.92 -2.66 116.42 114.48 2ovv h ASP 707 Ca -0.00 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.71 2ovv h ASP 707 Cb 0.06 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 39.41 2ovv h ASP 707 CO 0.00 0.00 0.36 0.29 -1.72 0.00 0.00 179.24 178.17 2ovv n LYS 708 N -3.08 2.64 0.27 3.56 4.76 0.09 -4.67 118.16 121.73 2ovv n LYS 708 Ca 0.01 -3.06 0.12 0.00 -2.87 0.00 0.00 58.31 52.50 2ovv n LYS 708 Cb 0.31 -2.10 0.79 0.00 -1.84 0.00 0.00 35.03 32.20 2ovv n LYS 708 CO 0.00 0.00 0.00 0.07 -1.37 0.00 0.00 177.40 176.10 2ovv h ARG 709 N 1.53 0.00 0.00 1.97 0.11 -1.54 -0.70 114.38 115.74 2ovv h ARG 709 Ca 0.41 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.49 2ovv h ARG 709 Cb 2.40 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.48 2ovv h ARG 709 CO 0.81 0.00 0.00 -0.44 0.10 0.00 0.00 179.97 180.44 2ovv h ASP 710 N 0.00 0.00 -0.35 0.08 3.32 -1.87 -2.24 116.42 115.35 2ovv h ASP 710 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2ovv h ASP 710 Cb 0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 2ovv h ASP 710 CO -0.00 0.00 0.00 -0.62 -1.72 0.00 0.00 179.24 176.90 2ovv n GLU 711 N -2.92 1.93 -0.14 3.56 1.02 -0.27 -4.46 120.64 119.36 2ovv n GLU 711 Ca -0.01 -1.43 -0.04 0.00 -0.02 0.00 0.00 57.16 55.66 2ovv n GLU 711 Cb 0.14 -1.35 0.03 0.00 -0.02 0.00 0.00 31.44 30.24 2ovv n GLU 711 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2ovv h VAL 712 N 2.46 0.58 -0.60 2.62 2.07 -1.55 -0.86 116.25 120.99 2ovv h VAL 712 Ca 0.00 -0.01 0.05 0.00 0.82 0.00 0.00 66.70 67.56 2ovv h VAL 712 Cb 0.56 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 30.83 2ovv h VAL 712 CO 0.00 0.00 0.32 -0.65 0.02 0.00 0.00 177.57 177.26 2ovv h PRO 713 N 0.02 0.59 -0.73 1.57 0.11 -1.85 0.38 132.00 132.09 2ovv h PRO 713 Ca 0.21 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.27 2ovv h PRO 713 Cb 0.32 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 31.27 2ovv h PRO 713 CO -0.43 0.39 0.37 1.96 -0.21 0.00 0.00 178.00 180.08 2ovv h GLN 714 N 0.61 1.03 -0.66 1.05 7.50 -1.77 -0.91 115.11 121.95 2ovv h GLN 714 Ca 0.26 -0.13 -0.07 0.00 0.50 0.00 0.00 58.65 59.22 2ovv h GLN 714 Cb 0.16 -0.20 -0.03 0.00 0.05 0.00 0.00 27.48 27.46 2ovv h GLN 714 CO -0.17 0.78 0.15 0.78 -1.50 0.00 0.00 178.83 178.86 2ovv h GLY 715 N 1.08 1.14 0.94 3.46 0.00 -0.35 -1.47 103.07 107.87 2ovv h GLY 715 Ca 0.25 -0.71 -0.11 0.00 0.00 0.00 0.00 47.33 46.76 2ovv h GLY 715 CO -0.04 0.67 -0.25 1.46 0.00 0.00 0.00 176.54 178.38 2ovv h GLN 716 N 1.01 0.66 -0.46 4.80 1.08 -0.33 -1.71 115.11 120.15 2ovv h GLN 716 Ca 0.21 -0.34 0.09 0.00 -1.45 0.00 0.00 58.65 57.16 2ovv h GLN 716 Cb 0.38 0.01 -0.07 0.00 -0.05 0.00 0.00 27.48 27.74 2ovv h GLN 716 CO 0.00 0.94 0.01 -0.07 -0.95 0.00 0.00 178.83 178.77 2ovv h LEU 717 N 0.39 -0.17 -0.31 1.46 4.07 -0.96 0.24 115.31 120.03 2ovv h LEU 717 Ca 0.05 0.11 0.02 0.00 0.08 0.00 0.00 57.88 58.13 2ovv h LEU 717 Cb 0.81 0.18 -0.03 0.00 1.08 0.00 0.00 40.66 42.70 2ovv h LEU 717 CO 0.06 -0.05 0.15 1.23 -1.08 0.00 0.00 178.44 178.76 2ovv h GLY 718 N 0.13 0.41 0.95 0.83 0.00 -1.00 -1.10 103.07 103.29 2ovv h GLY 718 Ca 0.23 -0.11 -0.05 0.00 0.00 0.00 0.00 47.33 47.40 2ovv h GLY 718 CO -0.37 0.09 0.06 -2.75 0.00 0.00 0.00 176.54 173.56 2ovv h PHE 719 N 0.32 0.74 -0.59 5.60 3.57 -0.61 -0.31 116.94 125.66 2ovv h PHE 719 Ca 0.13 -0.11 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 2ovv h PHE 719 Cb 0.04 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.55 2ovv h PHE 719 CO -0.10 0.73 0.25 1.88 -2.23 0.00 0.00 178.31 178.84 2ovv h TYR 720 N 0.55 0.89 -0.42 0.41 -1.99 -0.37 -0.76 116.97 115.28 2ovv h TYR 720 Ca 0.12 -0.06 -0.14 0.00 2.00 0.00 0.00 58.73 60.65 2ovv h TYR 720 Cb 0.39 -0.27 -0.01 0.00 2.00 0.00 0.00 36.73 38.84 2ovv h TYR 720 CO 0.03 0.71 -0.29 -0.91 -0.00 0.00 0.00 178.16 177.70 2ovv h ASN 721 N 0.82 0.99 0.75 3.88 2.35 -1.00 -0.65 115.58 122.72 2ovv h ASN 721 Ca 0.20 -0.43 0.00 0.00 -0.55 0.00 0.00 56.30 55.52 2ovv h ASN 721 Cb 0.19 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.28 2ovv h ASN 721 CO -0.02 1.21 -1.22 0.00 -1.65 0.00 0.00 177.43 175.75 2ovv n ALA 722 N -2.53 2.64 0.05 -0.83 0.00 -0.15 -4.55 120.51 115.14 2ovv n ALA 722 Ca -0.01 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.12 2ovv n ALA 722 Cb 0.49 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.92 2ovv n ALA 722 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2ovv n VAL 723 N -2.54 0.38 0.15 0.00 0.31 -0.34 -4.82 118.33 111.47 2ovv n VAL 723 Ca -0.01 0.13 -0.13 0.00 -0.01 0.00 0.00 64.34 64.32 2ovv n VAL 723 Cb 0.55 -0.88 -0.08 0.00 -0.91 0.00 0.00 33.84 32.52 2ovv n VAL 723 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ovv h ALA 724 N 0.00 -0.41 -0.09 3.52 0.00 -1.34 -1.33 119.26 119.61 2ovv h ALA 724 Ca 0.00 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.73 2ovv h ALA 724 Cb 0.00 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2ovv h ALA 724 CO 0.00 -0.54 0.02 0.82 0.00 0.00 0.00 179.25 179.55 2ovv h ILE 725 N -0.79 0.96 -0.44 0.00 1.08 -1.38 -1.23 117.51 115.71 2ovv h ILE 725 Ca -0.04 -0.02 0.03 0.00 -0.39 0.00 0.00 64.86 64.44 2ovv h ILE 725 Cb 0.51 0.90 -0.02 0.00 -3.07 0.00 0.00 36.82 35.13 2ovv h ILE 725 CO 0.07 0.01 0.30 -0.65 -0.69 0.00 0.00 178.15 177.18 2ovv h PRO 726 N 0.06 0.47 0.33 2.37 0.11 -1.76 0.49 132.00 134.06 2ovv h PRO 726 Ca 0.04 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.11 2ovv h PRO 726 Cb 0.03 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.04 2ovv h PRO 726 CO -0.06 0.31 -0.16 0.00 -0.21 0.00 0.00 178.00 177.89 2ovv h TYR 728 N -0.69 0.00 -0.26 0.00 0.05 -1.10 -1.66 116.97 113.31 2ovv h TYR 728 Ca -0.05 0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.75 2ovv h TYR 728 Cb 0.48 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.20 2ovv h TYR 728 CO 0.00 0.58 0.13 1.15 -1.05 0.00 0.00 178.16 178.97 2ovv h THR 729 N 0.00 0.99 -0.36 -2.88 2.02 -0.83 -0.48 112.91 111.36 2ovv h THR 729 Ca -0.01 -0.09 -0.17 0.00 0.77 0.00 0.00 66.41 66.91 2ovv h THR 729 Cb 1.15 0.69 -0.00 0.00 -1.74 0.00 0.00 68.15 68.25 2ovv h THR 729 CO 0.08 0.05 -0.44 0.74 0.37 0.00 0.00 175.52 176.32 2ovv h THR 730 N 0.27 1.27 -0.63 3.16 2.02 -1.02 -1.76 112.91 116.22 2ovv h THR 730 Ca 0.11 -1.61 -0.00 0.00 0.77 0.00 0.00 66.41 65.67 2ovv h THR 730 Cb 0.04 1.45 -0.03 0.00 -1.74 0.00 0.00 68.15 67.86 2ovv h THR 730 CO -0.08 0.54 0.39 0.25 0.37 0.00 0.00 175.52 176.99 2ovv h LEU 731 N 0.74 0.75 -1.28 2.58 5.85 -1.24 -2.57 115.31 120.15 2ovv h LEU 731 Ca 0.05 -0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 2ovv h LEU 731 Cb 1.04 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 2ovv h LEU 731 CO 0.10 0.59 -0.01 0.74 -0.34 0.00 0.00 178.44 179.52 2ovv h THR 732 N 0.86 1.19 -0.42 1.05 2.02 -0.70 0.13 112.91 117.04 2ovv h THR 732 Ca 0.23 -0.74 -0.09 0.00 0.77 0.00 0.00 66.41 66.58 2ovv h THR 732 Cb -0.04 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 2ovv h THR 732 CO -0.04 0.25 -0.11 1.56 0.37 0.00 0.00 175.52 177.55 2ovv h GLN 733 N 0.46 0.75 0.21 6.66 4.20 -0.95 -2.32 115.11 124.11 2ovv h GLN 733 Ca 0.10 -0.24 -0.33 0.00 0.06 0.00 0.00 58.65 58.23 2ovv h GLN 733 Cb 0.31 -0.07 0.02 0.00 0.30 0.00 0.00 27.48 28.05 2ovv h GLN 733 CO 0.01 0.83 -1.59 0.82 -0.67 0.00 0.00 178.83 178.23 2ovv h ILE 734 N 0.68 1.09 -2.82 2.54 2.04 -1.16 -3.41 117.51 116.48 2ovv h ILE 734 Ca 0.12 -2.57 -0.61 0.00 1.00 0.00 0.00 64.86 62.80 2ovv h ILE 734 Cb 0.57 2.89 -0.40 0.00 -0.74 0.00 0.00 36.82 39.13 2ovv h ILE 734 CO 0.04 0.82 -0.73 -0.76 0.00 0.00 0.00 178.15 177.52 2ovv s LEU 735 N -7.46 3.47 0.44 1.44 1.43 0.43 -5.02 118.68 113.41 2ovv s LEU 735 Ca -0.14 -3.51 0.19 0.00 -1.03 0.00 0.00 54.13 49.65 2ovv s LEU 735 Cb 0.05 -1.17 1.14 0.00 0.03 0.00 0.00 46.19 46.23 2ovv s LEU 735 CO 0.88 -0.12 1.88 -0.65 0.23 0.00 0.00 176.35 178.56 2ovv h PRO 736 N 5.55 0.33 0.00 1.29 0.11 -1.64 -0.39 132.00 137.26 2ovv h PRO 736 Ca 0.18 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.27 2ovv h PRO 736 Cb 0.82 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.85 2ovv h PRO 736 CO 0.58 0.22 0.00 -2.30 -0.21 0.00 0.00 178.00 176.29 2ovv n PRO 737 N -4.47 0.08 -0.00 1.05 -0.02 -1.26 -1.90 135.00 128.46 2ovv n PRO 737 Ca 0.18 0.56 0.10 0.00 -2.02 0.00 0.00 63.50 62.31 2ovv n PRO 737 Cb 0.69 -1.74 0.55 0.00 -0.02 0.00 0.00 33.50 32.98 2ovv n PRO 737 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2ovv n THR 738 N -1.90 0.01 -0.31 3.45 -2.24 -0.16 -4.41 114.28 108.72 2ovv n THR 738 Ca -0.01 -0.02 0.23 0.00 -2.27 0.00 0.00 64.05 61.99 2ovv n THR 738 Cb 0.03 -0.25 0.53 0.00 -2.10 0.00 0.00 70.33 68.54 2ovv n THR 738 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2ovv h GLU 739 N 0.14 0.35 -0.35 -0.78 4.81 -1.58 -1.23 114.58 115.94 2ovv h GLU 739 Ca 0.00 -0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.31 2ovv h GLU 739 Cb 0.03 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 2ovv h GLU 739 CO 0.00 0.23 0.26 -1.35 -0.73 0.00 0.00 179.01 177.43 2ovv h PRO 740 N 0.36 0.00 -0.29 0.92 0.11 -1.88 -1.15 132.00 130.07 2ovv h PRO 740 Ca 0.58 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.66 2ovv h PRO 740 Cb 1.53 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.63 2ovv h PRO 740 CO -0.26 0.00 0.06 -0.07 -0.21 0.00 0.00 178.00 177.51 2ovv h LEU 741 N 0.00 0.46 -0.50 2.35 3.38 -1.56 -1.87 115.31 117.57 2ovv h LEU 741 Ca 0.17 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 2ovv h LEU 741 Cb 0.69 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 2ovv h LEU 741 CO -0.00 0.59 0.16 0.25 0.09 0.00 0.00 178.44 179.53 2ovv h LEU 742 N 0.31 0.72 -0.62 1.67 5.85 -1.40 -1.06 115.31 120.78 2ovv h LEU 742 Ca 0.09 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 2ovv h LEU 742 Cb 0.32 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 2ovv h LEU 742 CO 0.00 0.73 0.29 0.50 -0.34 0.00 0.00 178.44 179.62 2ovv h LYS 743 N 0.67 0.89 -0.39 1.25 3.11 -1.20 -0.15 116.57 120.76 2ovv h LYS 743 Ca 0.16 -0.13 -0.10 0.00 -2.81 0.00 0.00 60.65 57.77 2ovv h LYS 743 Cb 0.26 -0.16 -0.02 0.00 -1.00 0.00 0.00 32.23 31.31 2ovv h LYS 743 CO -0.01 0.72 -0.16 0.00 -2.81 0.00 0.00 179.45 177.19 2ovv h ALA 744 N 1.12 0.97 -0.33 5.00 0.00 -1.21 -0.66 119.26 124.16 2ovv h ALA 744 Ca 0.21 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 2ovv h ALA 744 Cb 0.13 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2ovv h ALA 744 CO -0.03 0.60 0.13 0.00 0.00 0.00 0.00 179.25 179.96 2ovv h ARG 746 N 0.39 1.02 -0.77 0.00 3.08 -0.71 -0.96 114.38 116.43 2ovv h ARG 746 Ca 0.11 -0.08 0.01 0.00 0.07 0.00 0.00 59.98 60.09 2ovv h ARG 746 Cb 0.19 -0.22 -0.04 0.00 0.08 0.00 0.00 29.97 29.98 2ovv h ARG 746 CO -0.01 0.71 0.51 -0.44 -1.07 0.00 0.00 179.97 179.67 2ovv h ASP 747 N 1.04 0.88 0.30 7.04 3.32 -0.79 -1.68 116.42 126.53 2ovv h ASP 747 Ca 0.28 -0.02 -0.21 0.00 0.02 0.00 0.00 57.03 57.09 2ovv h ASP 747 Cb -0.06 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.27 2ovv h ASP 747 CO -0.05 0.64 -0.86 0.78 -1.72 0.00 0.00 179.24 178.02 2ovv h ASN 748 N 1.04 0.52 -0.71 6.45 -0.26 -0.97 -2.03 115.58 119.62 2ovv h ASN 748 Ca 0.28 -0.39 0.04 0.00 -0.56 0.00 0.00 56.30 55.68 2ovv h ASN 748 Cb -0.11 -0.16 -0.05 0.00 -1.06 0.00 0.00 38.32 36.94 2ovv h ASN 748 CO -0.06 1.17 0.43 0.25 -1.06 0.00 0.00 177.43 178.16 2ovv h LEU 749 N 0.26 0.69 -1.01 1.61 5.85 -0.78 -1.20 115.31 120.71 2ovv h LEU 749 Ca -0.06 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.60 2ovv h LEU 749 Cb 1.47 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.35 2ovv h LEU 749 CO 0.15 0.46 -0.08 0.78 -0.34 0.00 0.00 178.44 179.41 2ovv h ASN 750 N 0.82 0.60 -0.35 1.25 2.35 -0.90 -1.18 115.58 118.16 2ovv h ASN 750 Ca 0.30 -0.15 -0.09 0.00 -0.55 0.00 0.00 56.30 55.81 2ovv h ASN 750 Cb 0.09 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 2ovv h ASN 750 CO -0.14 0.72 -0.11 1.56 -1.65 0.00 0.00 177.43 177.81 2ovv h GLN 751 N 0.57 0.70 -0.75 0.81 1.08 -0.92 -0.02 115.11 116.58 2ovv h GLN 751 Ca 0.11 -0.28 -0.01 0.00 -1.45 0.00 0.00 58.65 57.02 2ovv h GLN 751 Cb 0.48 -0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 27.84 2ovv h GLN 751 CO 0.03 0.87 0.44 -1.49 -0.95 0.00 0.00 178.83 177.73 2ovv h TRP 752 N 0.49 1.00 -0.89 2.96 4.06 -0.85 0.29 115.95 123.02 2ovv h TRP 752 Ca 0.09 -0.01 0.01 0.00 2.06 0.00 0.00 58.89 61.04 2ovv h TRP 752 Cb 0.63 -0.33 -0.05 0.00 -1.00 0.00 0.00 29.16 28.42 2ovv h TRP 752 CO 0.05 0.68 0.59 0.93 -3.56 0.00 0.00 178.44 177.13 2ovv h GLU 753 N 1.03 1.16 -0.36 0.49 5.08 -0.94 -1.78 114.58 119.26 2ovv h GLU 753 Ca 0.27 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 2ovv h GLU 753 Cb -0.02 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 28.95 2ovv h GLU 753 CO -0.05 0.77 0.23 -0.22 -1.00 0.00 0.00 179.01 178.74 2ovv h LYS 754 N 1.19 0.49 -0.98 2.33 3.64 -0.39 -2.49 116.57 120.36 2ovv h LYS 754 Ca 0.33 -0.04 0.09 0.00 -1.27 0.00 0.00 60.65 59.76 2ovv h LYS 754 Cb -0.12 -0.11 -0.07 0.00 -0.41 0.00 0.00 32.23 31.53 2ovv h LYS 754 CO -0.08 0.34 0.63 0.28 -2.27 0.00 0.00 179.45 178.36 2ovv h VAL 755 N 0.49 1.02 -0.19 2.00 2.07 -0.24 -2.10 116.25 119.30 2ovv h VAL 755 Ca 0.13 -0.37 -0.08 0.00 0.82 0.00 0.00 66.70 67.20 2ovv h VAL 755 Cb -0.03 -0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 29.58 2ovv h VAL 755 CO -0.03 0.20 -0.23 0.40 0.02 0.00 0.00 177.57 177.92 2ovv h ILE 756 N 1.07 1.24 -0.00 4.57 2.04 -1.01 -3.52 117.51 121.91 2ovv h ILE 756 Ca 0.45 -1.14 0.00 0.00 1.00 0.00 0.00 64.86 65.17 2ovv h ILE 756 Cb 0.30 1.36 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 2ovv h ILE 756 CO -0.20 0.35 0.00 0.54 0.00 0.00 0.00 178.15 178.84