#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2our s HIS 447 N 0.00 3.20 -0.12 1.43 5.65 -1.26 -5.01 115.29 119.18 2our s HIS 447 Ca 0.00 1.00 -0.02 0.00 0.25 0.00 0.00 55.06 56.29 2our s HIS 447 Cb 0.00 -3.62 -0.03 0.00 -1.18 0.00 0.00 32.58 27.75 2our s HIS 447 CO 0.00 -2.17 -0.06 -1.64 -0.65 0.00 0.00 174.74 170.23 2our s MET 448 N 1.37 3.33 0.53 2.88 1.00 -1.26 -5.10 119.30 122.05 2our s MET 448 Ca 0.63 -0.54 -0.18 0.00 0.00 0.00 0.00 55.69 55.60 2our s MET 448 Cb -0.34 -2.78 -0.07 0.00 0.00 0.00 0.00 34.83 31.65 2our s MET 448 CO 0.29 0.39 1.03 -1.12 0.00 0.00 0.00 175.02 175.61 2our s SER 449 N -0.06 6.21 0.21 3.03 0.01 -1.26 -5.07 113.70 116.78 2our s SER 449 Ca 0.01 1.79 0.08 0.00 1.31 0.00 0.00 55.95 59.14 2our s SER 449 Cb -0.13 -2.54 -0.05 0.00 0.21 0.00 0.00 66.02 63.51 2our s SER 449 CO 0.03 -0.87 -0.15 0.27 0.41 0.00 0.00 173.24 172.93 2our s ILE 450 N -2.32 1.80 0.71 1.44 -4.36 -1.26 -4.78 121.20 112.43 2our s ILE 450 Ca 0.64 -2.20 -0.10 0.00 -0.26 0.00 0.00 60.65 58.72 2our s ILE 450 Cb -0.14 -2.04 0.04 0.00 1.25 0.00 0.00 42.46 41.56 2our s ILE 450 CO 0.29 -0.56 1.08 0.00 0.24 0.00 0.00 174.94 175.98 2our s THR 452 N -3.34 2.96 0.16 0.00 -4.23 -1.26 -4.97 115.64 104.97 2our s THR 452 Ca 0.59 -0.53 -0.14 0.00 -1.18 0.00 0.00 61.69 60.43 2our s THR 452 Cb -0.11 -3.13 0.05 0.00 1.34 0.00 0.00 72.50 70.65 2our s THR 452 CO 0.49 -0.10 1.79 0.28 -0.54 0.00 0.00 174.62 176.53 2our h SER 453 N 0.03 0.64 -0.33 3.99 0.02 -2.00 -2.26 113.55 113.63 2our h SER 453 Ca -0.43 -0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 60.43 2our h SER 453 Cb 1.29 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.65 2our h SER 453 CO 0.55 0.53 0.20 -0.33 -1.14 0.00 0.00 176.83 176.64 2our h GLU 454 N 0.69 0.47 -0.01 3.45 5.08 -1.98 -0.81 114.58 121.47 2our h GLU 454 Ca 0.18 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2our h GLU 454 Cb 0.02 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 2our h GLU 454 CO -0.03 0.34 -0.00 0.93 -1.00 0.00 0.00 179.01 179.25 2our h GLU 455 N 0.48 0.02 0.00 2.33 5.08 -1.80 -1.41 114.58 119.28 2our h GLU 455 Ca 0.13 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.36 2our h GLU 455 Cb -0.00 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2our h GLU 455 CO -0.02 0.36 -0.58 0.11 -1.00 0.00 0.00 179.01 177.89 2our h TRP 456 N -0.33 0.00 -0.19 4.33 5.08 -1.31 -2.78 115.95 120.75 2our h TRP 456 Ca 0.00 0.00 -0.16 0.00 1.08 0.00 0.00 58.89 59.81 2our h TRP 456 Cb 0.36 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.51 2our h TRP 456 CO 0.05 0.58 -0.55 1.96 -1.28 0.00 0.00 178.44 179.19 2our h GLN 457 N 0.00 0.57 -0.67 0.12 4.20 -1.17 -1.71 115.11 116.46 2our h GLN 457 Ca -0.01 -0.36 -0.07 0.00 0.06 0.00 0.00 58.65 58.27 2our h GLN 457 Cb 1.24 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 29.03 2our h GLN 457 CO 0.07 0.97 0.14 0.78 -0.67 0.00 0.00 178.83 180.12 2our h GLY 458 N 1.05 1.16 1.15 3.46 0.00 -1.19 -2.69 103.07 106.01 2our h GLY 458 Ca 0.01 -0.75 -0.08 0.00 0.00 0.00 0.00 47.33 46.51 2our h GLY 458 CO 0.10 0.70 0.07 -2.00 0.00 0.00 0.00 176.54 175.41 2our h LEU 459 N 1.00 0.99 -1.69 3.11 5.85 -1.34 -2.56 115.31 120.68 2our h LEU 459 Ca 0.21 -0.25 0.04 0.00 0.84 0.00 0.00 57.88 58.72 2our h LEU 459 Cb 0.40 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 2our h LEU 459 CO 0.01 1.01 0.28 0.24 -0.34 0.00 0.00 178.44 179.64 2our h MET 460 N 0.96 0.38 -0.00 1.25 2.86 -0.99 -1.96 114.93 117.42 2our h MET 460 Ca 0.19 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 2our h MET 460 Cb 0.46 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.04 2our h MET 460 CO 0.02 0.25 -0.11 1.04 1.06 0.00 0.00 176.91 179.16 2our n GLN 461 N -4.48 0.49 -2.62 1.72 6.02 -0.98 -4.91 117.38 112.62 2our n GLN 461 Ca 0.05 -0.14 -0.40 0.00 -0.01 0.00 0.00 57.00 56.50 2our n GLN 461 Cb 0.20 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 29.91 2our n GLN 461 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 2our s PHE 462 N -2.61 3.80 -0.05 1.08 5.36 -0.74 -5.05 117.98 119.77 2our s PHE 462 Ca 0.25 1.82 -0.00 0.00 -0.96 0.00 0.00 56.93 58.03 2our s PHE 462 Cb 0.20 -3.12 0.03 0.00 -0.34 0.00 0.00 43.02 39.78 2our s PHE 462 CO 0.50 -0.00 0.00 0.99 -1.46 0.00 0.00 175.22 175.25 2our s THR 463 N -1.14 0.27 0.23 0.12 2.01 -1.26 -5.05 115.64 110.82 2our s THR 463 Ca 0.43 0.11 -0.31 0.00 0.31 0.00 0.00 61.69 62.22 2our s THR 463 Cb -0.29 -0.40 -0.11 0.00 0.01 0.00 0.00 72.50 71.72 2our s THR 463 CO 0.36 0.20 1.57 -0.22 -0.69 0.00 0.00 174.62 175.84 2our s LEU 464 N 1.48 4.37 0.21 4.42 2.96 -1.26 -4.92 118.68 125.94 2our s LEU 464 Ca -0.03 2.76 -0.32 0.00 -0.22 0.00 0.00 54.13 56.32 2our s LEU 464 Cb -0.13 -3.61 -0.12 0.00 0.50 0.00 0.00 46.19 42.82 2our s LEU 464 CO -0.03 -0.84 1.66 -2.65 -1.32 0.00 0.00 176.35 173.17 2our n PRO 465 N 3.12 2.59 -0.08 0.98 -0.02 -1.26 -4.85 135.00 135.48 2our n PRO 465 Ca 0.11 0.93 0.22 0.00 -2.02 0.00 0.00 63.50 62.74 2our n PRO 465 Cb 0.38 -2.74 0.67 0.00 -0.02 0.00 0.00 33.50 31.79 2our n PRO 465 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 2our h VAL 466 N 3.67 0.69 0.00 -1.45 3.04 -2.03 -0.31 116.25 119.86 2our h VAL 466 Ca -0.44 -0.02 -0.00 0.00 -1.01 0.00 0.00 66.70 65.22 2our h VAL 466 Cb 1.22 0.62 -0.00 0.00 -2.01 0.00 0.00 31.29 31.12 2our h VAL 466 CO 0.91 0.01 -0.02 0.08 -1.01 0.00 0.00 177.57 177.54 2our h ARG 467 N 0.06 0.00 0.00 4.17 0.11 -2.03 -1.63 114.38 115.06 2our h ARG 467 Ca 0.32 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.40 2our h ARG 467 Cb 1.20 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.28 2our h ARG 467 CO -0.02 0.02 -0.36 1.28 0.10 0.00 0.00 179.97 180.98 2our n LEU 468 N -3.60 0.40 -0.29 0.08 4.77 -0.13 -4.08 117.00 114.16 2our n LEU 468 Ca -0.03 0.19 -0.01 0.00 -0.03 0.00 0.00 56.01 56.13 2our n LEU 468 Cb 0.11 -0.31 0.11 0.00 -2.33 0.00 0.00 43.42 41.00 2our n LEU 468 CO 0.26 0.06 1.18 0.00 -1.33 0.00 0.00 177.39 177.55 2our h LYS 470 N 0.95 0.00 0.06 0.00 2.10 -1.75 -3.12 116.57 114.81 2our h LYS 470 Ca 0.33 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.81 2our h LYS 470 Cb 0.08 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.40 2our h LYS 470 CO -0.14 0.27 -0.88 0.93 -2.00 0.00 0.00 179.45 177.63 2our h GLU 471 N 0.00 0.14 0.00 0.07 5.08 -1.54 -3.37 114.58 114.96 2our h GLU 471 Ca -0.00 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.12 2our h GLU 471 Cb 0.54 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 2our h GLU 471 CO 0.03 1.11 -0.03 0.97 -1.00 0.00 0.00 179.01 180.09 2our h ILE 472 N -0.65 0.67 0.00 3.13 2.10 -1.13 -1.93 117.51 119.70 2our h ILE 472 Ca -0.20 -0.13 0.00 0.00 1.08 0.00 0.00 64.86 65.61 2our h ILE 472 Cb 1.44 1.08 0.00 0.00 -1.09 0.00 0.00 36.82 38.25 2our h ILE 472 CO 0.00 0.03 0.00 -0.62 -1.08 0.00 0.00 178.15 176.49 2our n GLU 473 N -3.99 0.19 -2.93 2.19 -0.58 -1.18 -4.79 120.64 109.56 2our n GLU 473 Ca -0.03 0.28 -0.39 0.00 -0.42 0.00 0.00 57.16 56.60 2our n GLU 473 Cb 0.12 -1.78 -0.06 0.00 -0.57 0.00 0.00 31.44 29.15 2our n GLU 473 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2our s LEU 474 N -4.23 4.54 0.34 -4.62 1.43 -0.73 -4.90 118.68 110.51 2our s LEU 474 Ca 0.08 1.70 0.04 0.00 -1.03 0.00 0.00 54.13 54.93 2our s LEU 474 Cb 0.12 -3.49 0.68 0.00 0.03 0.00 0.00 46.19 43.52 2our s LEU 474 CO 0.48 0.14 1.93 -0.26 0.23 0.00 0.00 176.35 178.87 2our h PHE 475 N 4.01 0.86 -0.07 0.29 -1.00 -1.87 -2.25 116.94 116.92 2our h PHE 475 Ca -0.47 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.34 2our h PHE 475 Cb 1.20 -0.28 0.00 0.00 3.61 0.00 0.00 35.95 40.48 2our h PHE 475 CO 0.63 0.44 0.00 -2.39 -1.61 0.00 0.00 178.31 175.38 2our n HIS 476 N -4.49 0.09 -1.65 -0.55 1.44 -1.26 -4.90 115.22 103.89 2our n HIS 476 Ca 0.12 -0.04 -0.44 0.00 -2.01 0.00 0.00 57.72 55.35 2our n HIS 476 Cb 0.24 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.34 2our n HIS 476 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 2our n PHE 477 N -0.36 1.91 -3.89 -1.40 7.35 -0.85 -4.33 117.46 115.90 2our n PHE 477 Ca 0.10 0.56 -0.35 0.00 -0.76 0.00 0.00 57.45 57.00 2our n PHE 477 Cb 0.12 -2.38 -0.14 0.00 0.35 0.00 0.00 39.48 37.43 2our n PHE 477 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2our s ASP 478 N -0.16 4.58 0.15 -2.13 3.68 -1.26 -4.98 116.67 116.55 2our s ASP 478 Ca 0.62 -0.75 0.25 0.00 2.13 0.00 0.00 52.55 54.79 2our s ASP 478 Cb -0.65 -1.74 0.93 0.00 -1.45 0.00 0.00 42.92 40.00 2our s ASP 478 CO 0.57 -0.13 1.76 2.30 0.13 0.00 0.00 175.17 179.80 2our n ILE 479 N 4.75 0.56 -0.31 4.11 -5.35 -1.26 -4.37 119.36 117.49 2our n ILE 479 Ca -0.16 -0.04 0.01 0.00 -0.27 0.00 0.00 62.75 62.29 2our n ILE 479 Cb 0.48 -0.74 0.06 0.00 -1.74 0.00 0.00 39.64 37.70 2our n ILE 479 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2our n GLY 480 N 0.91 -1.56 0.00 3.28 0.00 -1.26 -0.99 105.19 105.56 2our n GLY 480 Ca 0.05 0.90 0.09 0.00 0.00 0.00 0.00 46.02 47.06 2our n GLY 480 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2our n PRO 481 N -5.25 0.50 -2.43 1.61 -0.02 -1.26 -3.98 135.00 124.16 2our n PRO 481 Ca 0.10 0.03 -0.21 0.00 -2.02 0.00 0.00 63.50 61.40 2our n PRO 481 Cb 0.36 -1.50 0.01 0.00 -0.02 0.00 0.00 33.50 32.35 2our n PRO 481 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2our n PHE 482 N -1.06 2.66 -0.24 6.00 3.01 -0.16 -4.92 117.46 122.75 2our n PHE 482 Ca 0.12 -2.76 0.05 0.00 1.01 0.00 0.00 57.45 55.88 2our n PHE 482 Cb 0.08 -0.21 0.17 0.00 -0.01 0.00 0.00 39.48 39.50 2our n PHE 482 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 2our h GLU 483 N 2.56 0.25 0.00 -1.08 4.81 -1.73 0.18 114.58 119.57 2our h GLU 483 Ca 0.21 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 2our h GLU 483 Cb 1.15 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.47 2our h GLU 483 CO 0.71 0.17 0.00 -1.71 -0.73 0.00 0.00 179.01 177.44 2our n ASN 484 N -5.16 0.60 -0.26 1.04 5.15 -1.26 -1.88 115.26 113.49 2our n ASN 484 Ca 0.13 0.73 0.10 0.00 -0.60 0.00 0.00 54.58 54.94 2our n ASN 484 Cb 0.43 -0.83 -0.05 0.00 -0.53 0.00 0.00 39.78 38.80 2our n ASN 484 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 2our n MET 485 N -2.26 0.92 -0.17 1.20 2.81 0.62 -4.67 117.12 115.57 2our n MET 485 Ca -0.00 -0.53 -0.02 0.00 -1.81 0.00 0.00 57.70 55.33 2our n MET 485 Cb 0.10 -1.44 0.05 0.00 -0.71 0.00 0.00 33.22 31.22 2our n MET 485 CO 0.00 0.00 0.00 -1.49 1.51 0.00 0.00 175.97 175.99 2our h TRP 486 N 1.28 -0.22 -0.79 2.03 6.55 -1.12 0.37 115.95 124.05 2our h TRP 486 Ca 0.00 0.04 -0.04 0.00 0.95 0.00 0.00 58.89 59.84 2our h TRP 486 Cb 0.61 0.18 -0.04 0.00 -0.86 0.00 0.00 29.16 29.05 2our h TRP 486 CO 0.00 -0.20 0.33 -1.35 -1.05 0.00 0.00 178.44 176.17 2our h PRO 487 N 0.02 1.17 -0.17 0.49 0.11 -1.83 -2.07 132.00 129.72 2our h PRO 487 Ca 0.25 -0.20 -0.06 0.00 0.11 0.00 0.00 66.00 66.10 2our h PRO 487 Cb 0.39 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.29 2our h PRO 487 CO -0.51 0.94 -0.17 0.78 -0.21 0.00 0.00 178.00 178.82 2our h GLY 488 N 1.14 0.30 1.30 -0.55 0.00 -1.51 -1.81 103.07 101.95 2our h GLY 488 Ca 0.27 -0.20 -0.11 0.00 0.00 0.00 0.00 47.33 47.28 2our h GLY 488 CO -0.02 0.19 -0.18 -2.22 0.00 0.00 0.00 176.54 174.30 2our h ILE 489 N 0.26 1.27 -0.47 2.60 2.04 0.19 -0.16 117.51 123.24 2our h ILE 489 Ca 0.05 -1.28 -0.10 0.00 1.00 0.00 0.00 64.86 64.52 2our h ILE 489 Cb 0.46 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 2our h ILE 489 CO 0.03 0.43 -0.11 0.15 0.00 0.00 0.00 178.15 178.66 2our h PHE 490 N 0.72 1.01 -0.55 1.37 3.57 -0.81 -1.01 116.94 121.24 2our h PHE 490 Ca 0.11 -0.21 -0.01 0.00 3.53 0.00 0.00 57.97 61.38 2our h PHE 490 Cb 0.69 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 39.16 2our h PHE 490 CO 0.04 0.98 0.30 0.28 -2.23 0.00 0.00 178.31 177.68 2our h VAL 491 N 0.74 1.18 -0.73 1.41 2.07 -1.11 -0.98 116.25 118.84 2our h VAL 491 Ca 0.12 -0.47 0.05 0.00 0.82 0.00 0.00 66.70 67.22 2our h VAL 491 Cb 0.65 0.49 -0.05 0.00 -1.52 0.00 0.00 31.29 30.86 2our h VAL 491 CO 0.05 0.20 0.43 0.22 0.02 0.00 0.00 177.57 178.49 2our h TYR 492 N 0.74 0.80 -0.39 1.57 3.20 -0.76 0.54 116.97 122.67 2our h TYR 492 Ca 0.19 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.99 2our h TYR 492 Cb 0.05 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.06 2our h TYR 492 CO -0.01 0.41 -0.15 0.52 -1.64 0.00 0.00 178.16 177.28 2our h MET 493 N 0.81 0.79 -0.41 1.82 2.86 -0.78 -0.04 114.93 119.99 2our h MET 493 Ca 0.32 -0.33 -0.03 0.00 -2.06 0.00 0.00 59.70 57.60 2our h MET 493 Cb 0.15 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 2our h MET 493 CO -0.16 0.95 0.15 0.28 1.06 0.00 0.00 176.91 179.19 2our h VAL 494 N 0.60 1.20 -0.63 -2.22 2.07 -0.82 -0.20 116.25 116.25 2our h VAL 494 Ca 0.09 -0.65 -0.05 0.00 0.82 0.00 0.00 66.70 66.92 2our h VAL 494 Cb 0.69 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 2our h VAL 494 CO 0.05 0.23 0.20 0.45 0.02 0.00 0.00 177.57 178.53 2our h HIS 495 N 0.51 1.01 -0.08 1.57 -0.00 -0.77 0.30 115.15 117.69 2our h HIS 495 Ca 0.13 -0.10 -0.19 0.00 -0.00 0.00 0.00 60.37 60.22 2our h HIS 495 Cb 0.22 -0.29 -0.00 0.00 -0.00 0.00 0.00 27.41 27.33 2our h HIS 495 CO 0.00 0.83 -0.74 -0.09 -0.00 0.00 0.00 177.93 177.93 2our h ARG 496 N 0.91 0.44 0.23 2.45 2.43 -0.85 0.37 114.38 120.37 2our h ARG 496 Ca 0.20 -0.37 -0.34 0.00 -0.81 0.00 0.00 59.98 58.67 2our h ARG 496 Cb 0.28 0.08 0.03 0.00 -0.42 0.00 0.00 29.97 29.94 2our h ARG 496 CO -0.01 1.00 -1.53 1.03 -1.51 0.00 0.00 179.97 178.95 2our h SER 497 N 0.30 0.78 0.00 -3.80 0.87 -0.94 -3.39 113.55 107.37 2our h SER 497 Ca -0.03 -0.89 0.00 0.00 -1.23 0.00 0.00 61.79 59.64 2our h SER 497 Cb 1.32 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 63.03 2our h SER 497 CO 0.13 1.71 -0.83 0.00 -0.53 0.00 0.00 176.83 177.31 2our n GLY 499 N 1.45 0.30 0.30 0.00 0.00 0.13 -4.23 105.19 103.14 2our n GLY 499 Ca 0.01 -1.51 0.18 0.00 0.00 0.00 0.00 46.02 44.70 2our n GLY 499 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2our h THR 500 N 0.00 0.28 0.00 2.61 1.35 -1.86 -2.00 112.91 113.29 2our h THR 500 Ca 0.00 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.63 2our h THR 500 Cb 0.00 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 67.59 2our h THR 500 CO 0.00 0.03 -0.03 -0.24 -0.25 0.00 0.00 175.52 175.03 2our n SER 501 N -3.41 0.29 0.17 5.36 2.88 -1.26 -4.12 113.62 113.53 2our n SER 501 Ca -0.02 0.49 -0.14 0.00 -1.33 0.00 0.00 58.87 57.87 2our n SER 501 Cb 0.15 -0.55 -0.07 0.00 -0.75 0.00 0.00 64.21 62.99 2our n SER 501 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2our s PHE 503 N -6.11 2.44 -0.01 0.00 0.08 -1.26 -5.07 117.98 108.06 2our s PHE 503 Ca -0.15 -0.31 -0.30 0.00 0.12 0.00 0.00 56.93 56.28 2our s PHE 503 Cb 0.06 -1.29 -0.06 0.00 -0.57 0.00 0.00 43.02 41.17 2our s PHE 503 CO 0.64 0.39 1.47 -1.21 -0.10 0.00 0.00 175.22 176.42 2our s GLU 504 N -2.21 4.25 0.17 0.44 2.02 -1.26 -4.91 118.70 117.20 2our s GLU 504 Ca 0.17 2.04 -0.21 0.00 0.02 0.00 0.00 54.97 57.00 2our s GLU 504 Cb -0.10 -3.65 0.08 0.00 0.10 0.00 0.00 34.13 30.56 2our s GLU 504 CO 0.09 -0.65 1.62 1.25 0.02 0.00 0.00 175.26 177.59 2our h LEU 505 N 8.75 -0.82 -0.43 1.80 5.85 -1.98 -0.67 115.31 127.82 2our h LEU 505 Ca -0.38 0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.52 2our h LEU 505 Cb 1.18 0.41 -0.03 0.00 0.37 0.00 0.00 40.66 42.58 2our h LEU 505 CO 0.92 -0.27 0.24 -0.08 -0.34 0.00 0.00 178.44 178.91 2our h GLU 506 N -0.19 0.48 -0.83 1.25 4.81 -1.97 -1.02 114.58 117.12 2our h GLU 506 Ca 0.18 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.34 2our h GLU 506 Cb 0.47 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.71 2our h GLU 506 CO -0.48 0.32 0.36 0.87 -0.73 0.00 0.00 179.01 179.35 2our h LYS 507 N 0.49 1.21 -0.35 1.92 1.57 -1.73 -0.96 116.57 118.73 2our h LYS 507 Ca 0.17 -0.20 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 2our h LYS 507 Cb 0.02 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.11 2our h LYS 507 CO -0.09 0.96 0.14 1.25 -0.57 0.00 0.00 179.45 181.14 2our h LEU 508 N 1.19 0.48 -0.74 2.94 5.85 -0.73 0.63 115.31 124.93 2our h LEU 508 Ca 0.28 -0.17 -0.09 0.00 0.84 0.00 0.00 57.88 58.74 2our h LEU 508 Cb 0.18 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 2our h LEU 508 CO -0.03 0.52 -0.05 0.00 -0.34 0.00 0.00 178.44 178.54 2our h ARG 510 N 0.82 0.51 -0.26 0.00 2.43 -0.99 -2.06 114.38 114.84 2our h ARG 510 Ca 0.14 -0.14 0.04 0.00 -0.81 0.00 0.00 59.98 59.22 2our h ARG 510 Cb 0.56 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.01 2our h ARG 510 CO 0.03 0.61 -0.01 0.35 -1.51 0.00 0.00 179.97 179.45 2our h PHE 511 N 0.33 -0.03 -0.05 2.20 3.57 -0.60 -0.97 116.94 121.38 2our h PHE 511 Ca 0.09 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 2our h PHE 511 Cb 0.35 0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.14 2our h PHE 511 CO 0.02 -0.05 0.03 0.82 -2.23 0.00 0.00 178.31 176.91 2our h ILE 512 N 0.07 1.04 0.00 1.41 2.04 -1.14 -0.75 117.51 120.18 2our h ILE 512 Ca 0.12 -0.11 -0.07 0.00 1.00 0.00 0.00 64.86 65.80 2our h ILE 512 Cb 0.16 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 2our h ILE 512 CO -0.21 0.04 -0.33 0.24 0.00 0.00 0.00 178.15 177.88 2our h MET 513 N 0.04 0.00 -0.13 2.37 2.86 -1.24 -1.79 114.93 117.04 2our h MET 513 Ca 0.02 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.45 2our h MET 513 Cb 0.03 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.69 2our h MET 513 CO -0.00 0.33 -0.75 0.77 1.06 0.00 0.00 176.91 178.32 2our h SER 514 N 0.00 0.74 -0.52 1.22 0.02 -0.94 -2.85 113.55 111.22 2our h SER 514 Ca -0.00 -0.48 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 2our h SER 514 Cb 0.66 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.96 2our h SER 514 CO 0.04 1.26 0.33 0.58 -1.14 0.00 0.00 176.83 177.90 2our h VAL 515 N 0.43 1.15 -0.96 2.27 2.07 -0.63 -2.09 116.25 118.48 2our h VAL 515 Ca -0.04 -0.30 0.11 0.00 0.82 0.00 0.00 66.70 67.29 2our h VAL 515 Cb 1.35 0.41 -0.08 0.00 -1.52 0.00 0.00 31.29 31.45 2our h VAL 515 CO 0.14 0.15 0.59 0.50 0.02 0.00 0.00 177.57 178.97 2our h LYS 516 N 0.70 0.92 0.00 1.57 3.64 -1.29 0.25 116.57 122.36 2our h LYS 516 Ca 0.19 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 2our h LYS 516 Cb -0.05 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.57 2our h LYS 516 CO -0.04 0.61 0.00 1.63 -2.27 0.00 0.00 179.45 179.38 2our n LYS 517 N -4.65 0.18 -0.39 1.90 5.02 -0.81 -2.35 118.16 117.07 2our n LYS 517 Ca 0.18 0.13 0.08 0.00 -2.02 0.00 0.00 58.31 56.68 2our n LYS 517 Cb 0.34 -1.50 0.24 0.00 -0.02 0.00 0.00 35.03 34.09 2our n LYS 517 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2our n ASN 518 N -1.35 3.76 -4.68 4.39 3.02 0.07 -4.79 115.26 115.67 2our n ASN 518 Ca 0.07 -2.51 -0.34 0.00 -0.03 0.00 0.00 54.58 51.78 2our n ASN 518 Cb 0.17 -0.44 -0.09 0.00 -0.61 0.00 0.00 39.78 38.81 2our n ASN 518 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2our s TYR 519 N -1.92 3.12 0.43 3.10 1.51 -0.99 -1.62 117.35 120.98 2our s TYR 519 Ca 0.37 0.15 0.08 0.00 -1.01 0.00 0.00 57.07 56.66 2our s TYR 519 Cb 0.26 -1.74 -0.00 0.00 -0.11 0.00 0.00 41.96 40.36 2our s TYR 519 CO 0.15 0.46 0.47 1.03 -1.11 0.00 0.00 175.55 176.55 2our s ARG 520 N -1.12 2.64 -1.46 -0.62 0.52 -1.26 -4.89 118.95 112.75 2our s ARG 520 Ca 0.15 -1.43 -0.13 0.00 -0.52 0.00 0.00 55.73 53.81 2our s ARG 520 Cb -0.11 -2.53 0.04 0.00 0.52 0.00 0.00 34.95 32.86 2our s ARG 520 CO 0.05 -0.25 2.32 0.54 0.02 0.00 0.00 175.30 177.97 2our n ARG 521 N -1.70 3.12 -4.02 3.54 1.74 -1.26 -4.51 116.66 113.58 2our n ARG 521 Ca 0.06 -2.66 -0.33 0.00 -0.77 0.00 0.00 57.85 54.14 2our n ARG 521 Cb 0.61 -3.15 -0.15 0.00 -1.02 0.00 0.00 32.46 28.75 2our n ARG 521 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2our s VAL 522 N 2.60 2.49 0.27 1.55 1.01 -1.26 -5.08 120.40 121.97 2our s VAL 522 Ca 0.50 -1.34 -0.30 0.00 0.00 0.00 0.00 61.98 60.84 2our s VAL 522 Cb 0.14 -2.35 -0.13 0.00 0.00 0.00 0.00 36.38 34.04 2our s VAL 522 CO -0.07 0.09 1.32 -0.81 0.00 0.00 0.00 175.10 175.62 2our n PRO 523 N 4.55 1.93 -0.84 2.72 -0.04 -1.26 -1.53 135.00 140.52 2our n PRO 523 Ca -0.15 0.68 0.00 0.00 -0.04 0.00 0.00 63.50 63.99 2our n PRO 523 Cb 0.45 -2.28 0.00 0.00 -0.04 0.00 0.00 33.50 31.63 2our n PRO 523 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2our n TYR 524 N 1.28 0.00 -2.64 0.54 0.53 -1.26 -4.73 117.16 110.88 2our n TYR 524 Ca 0.10 0.00 0.01 0.00 -1.02 0.00 0.00 57.90 56.98 2our n TYR 524 Cb 0.32 -0.62 0.04 0.00 -1.03 0.00 0.00 39.34 38.05 2our n TYR 524 CO 0.00 0.00 0.00 0.72 -1.02 0.00 0.00 176.86 176.56 2our n HIS 525 N -2.12 0.37 -3.97 -0.72 8.25 -0.58 -4.95 115.22 111.49 2our n HIS 525 Ca 0.00 -1.41 -0.15 0.00 -0.26 0.00 0.00 57.72 55.90 2our n HIS 525 Cb 0.04 0.05 -0.01 0.00 1.12 0.00 0.00 29.99 31.19 2our n HIS 525 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2our n ASN 526 N -0.29 2.23 -0.26 0.41 0.23 -1.03 -4.62 115.26 111.94 2our n ASN 526 Ca 0.01 -2.06 -0.00 0.00 -0.53 0.00 0.00 54.58 52.00 2our n ASN 526 Cb 0.92 0.06 0.12 0.00 -2.08 0.00 0.00 39.78 38.80 2our n ASN 526 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 2our h TRP 527 N 0.80 0.81 -0.34 -2.53 2.91 -1.90 -1.44 115.95 114.26 2our h TRP 527 Ca -0.20 0.03 0.04 0.00 1.13 0.00 0.00 58.89 59.89 2our h TRP 527 Cb 0.67 -0.25 -0.04 0.00 -0.51 0.00 0.00 29.16 29.02 2our h TRP 527 CO 0.00 0.40 0.11 -0.22 -1.03 0.00 0.00 178.44 177.69 2our h LYS 528 N 0.80 0.24 -0.82 2.65 3.64 -1.96 -2.02 116.57 119.10 2our h LYS 528 Ca 0.33 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.67 2our h LYS 528 Cb 0.19 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.91 2our h LYS 528 CO -0.18 0.16 0.40 1.25 -2.27 0.00 0.00 179.45 178.80 2our h HIS 529 N 0.24 1.16 -0.47 1.91 2.76 -1.78 -1.25 115.15 117.73 2our h HIS 529 Ca 0.15 -0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.27 2our h HIS 529 Cb 0.14 -0.36 -0.02 0.00 1.55 0.00 0.00 27.41 28.71 2our h HIS 529 CO -0.15 0.84 0.30 0.00 -1.30 0.00 0.00 177.93 177.62 2our h ALA 530 N 1.28 0.59 -0.12 5.26 0.00 -0.69 0.04 119.26 125.63 2our h ALA 530 Ca 0.28 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 55.01 2our h ALA 530 Cb 0.11 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2our h ALA 530 CO -0.04 0.06 -0.52 0.28 0.00 0.00 0.00 179.25 179.03 2our h VAL 531 N 0.63 1.35 -0.37 0.00 2.07 -1.16 -1.32 116.25 117.45 2our h VAL 531 Ca 0.17 -1.79 -0.03 0.00 0.82 0.00 0.00 66.70 65.87 2our h VAL 531 Cb -0.05 1.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 2our h VAL 531 CO -0.04 0.54 0.09 0.74 0.02 0.00 0.00 177.57 178.92 2our h THR 532 N 0.26 1.22 -0.62 2.57 2.02 -0.77 0.05 112.91 117.63 2our h THR 532 Ca 0.01 -0.75 -0.09 0.00 0.77 0.00 0.00 66.41 66.34 2our h THR 532 Cb 1.01 1.02 -0.02 0.00 -1.74 0.00 0.00 68.15 68.41 2our h THR 532 CO 0.09 0.26 0.03 0.58 0.37 0.00 0.00 175.52 176.85 2our h VAL 533 N 0.44 1.26 -0.69 3.16 2.07 -0.90 -2.37 116.25 119.22 2our h VAL 533 Ca 0.12 -1.11 -0.05 0.00 0.82 0.00 0.00 66.70 66.47 2our h VAL 533 Cb 0.30 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 2our h VAL 533 CO 0.00 0.41 0.21 0.00 0.02 0.00 0.00 177.57 178.21 2our h ALA 534 N 1.04 1.08 -0.60 1.67 0.00 -0.98 -2.23 119.26 119.24 2our h ALA 534 Ca 0.18 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 2our h ALA 534 Cb 0.52 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2our h ALA 534 CO 0.02 0.63 -0.01 1.25 0.00 0.00 0.00 179.25 181.14 2our h HIS 535 N 1.02 1.17 -0.70 0.00 6.17 -0.69 -0.17 115.15 121.94 2our h HIS 535 Ca 0.22 -0.21 -0.03 0.00 0.71 0.00 0.00 60.37 61.07 2our h HIS 535 Cb 0.29 -0.30 -0.03 0.00 2.52 0.00 0.00 27.41 29.88 2our h HIS 535 CO 0.02 1.03 0.32 0.00 0.71 0.00 0.00 177.93 180.01 2our h MET 537 N 0.98 0.99 -0.52 0.00 -1.53 -1.12 -1.25 114.93 112.49 2our h MET 537 Ca 0.24 -0.09 0.06 0.00 -3.44 0.00 0.00 59.70 56.46 2our h MET 537 Cb 0.15 -0.21 -0.05 0.00 -0.55 0.00 0.00 31.60 30.94 2our h MET 537 CO -0.03 0.70 0.24 -0.92 0.14 0.00 0.00 176.91 177.04 2our h TYR 538 N 1.00 0.43 -0.79 1.39 3.20 -0.31 0.28 116.97 122.17 2our h TYR 538 Ca 0.26 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.12 2our h TYR 538 Cb -0.03 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.09 2our h TYR 538 CO -0.01 0.18 0.34 0.00 -1.64 0.00 0.00 178.16 177.04 2our h ALA 539 N 1.31 1.12 -0.04 1.82 0.00 -0.45 0.95 119.26 123.96 2our h ALA 539 Ca 0.24 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2our h ALA 539 Cb 0.20 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 2our h ALA 539 CO -0.20 0.64 0.01 0.82 0.00 0.00 0.00 179.25 180.53 2our h ILE 540 N 1.13 1.19 -0.68 0.00 2.04 -0.44 -2.71 117.51 118.04 2our h ILE 540 Ca 0.27 -0.56 -0.02 0.00 1.00 0.00 0.00 64.86 65.54 2our h ILE 540 Cb 0.17 1.48 -0.03 0.00 -0.74 0.00 0.00 36.82 37.70 2our h ILE 540 CO -0.03 0.15 0.34 -0.07 0.00 0.00 0.00 178.15 178.55 2our h LEU 541 N -0.15 0.88 -1.90 1.44 3.38 -0.74 -2.63 115.31 115.60 2our h LEU 541 Ca 0.01 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 2our h LEU 541 Cb 0.24 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 2our h LEU 541 CO 0.00 0.76 0.03 1.56 0.09 0.00 0.00 178.44 180.87 2our h GLN 542 N 0.95 0.09 -0.46 1.13 1.08 -0.76 -1.70 115.11 115.43 2our h GLN 542 Ca 0.24 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.43 2our h GLN 542 Cb 0.10 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.51 2our h GLN 542 CO -0.03 0.08 0.00 0.09 -0.95 0.00 0.00 178.83 178.02 2our n ASN 543 N -4.51 3.37 -2.54 1.46 3.02 -1.03 -4.17 115.26 110.86 2our n ASN 543 Ca -0.02 -1.97 0.00 0.00 -0.03 0.00 0.00 54.58 52.56 2our n ASN 543 Cb 0.10 -0.30 0.05 0.00 -0.61 0.00 0.00 39.78 39.02 2our n ASN 543 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2our n ASN 544 N 1.40 1.14 -0.21 6.41 3.02 -0.76 -4.74 115.26 121.51 2our n ASN 544 Ca 0.20 -2.03 -0.06 0.00 -0.03 0.00 0.00 54.58 52.66 2our n ASN 544 Cb 0.57 -0.32 -0.00 0.00 -0.61 0.00 0.00 39.78 39.42 2our n ASN 544 CO 0.00 0.00 0.00 -0.74 -2.62 0.00 0.00 177.26 173.90 2our h HIS 545 N 2.12 -1.01 0.00 3.10 -0.00 -1.50 -1.73 115.15 116.13 2our h HIS 545 Ca -0.19 0.08 0.00 0.00 -0.00 0.00 0.00 60.37 60.25 2our h HIS 545 Cb 1.39 0.53 0.00 0.00 -0.00 0.00 0.00 27.41 29.33 2our h HIS 545 CO 0.38 -0.39 0.00 0.25 -0.00 0.00 0.00 177.93 178.16 2our n THR 546 N -5.43 0.84 0.67 6.26 -2.24 -1.26 -3.18 114.28 109.95 2our n THR 546 Ca 0.04 0.22 0.12 0.00 -2.27 0.00 0.00 64.05 62.16 2our n THR 546 Cb 0.36 -1.12 0.22 0.00 -2.10 0.00 0.00 70.33 67.68 2our n THR 546 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2our n LEU 547 N -2.13 0.63 -4.36 3.22 4.77 -0.65 -4.88 117.00 113.60 2our n LEU 547 Ca 0.02 0.21 -0.27 0.00 -0.03 0.00 0.00 56.01 55.95 2our n LEU 547 Cb 0.23 -0.22 -0.13 0.00 -2.33 0.00 0.00 43.42 40.98 2our n LEU 547 CO 0.19 -0.02 -0.54 -0.36 -1.33 0.00 0.00 177.39 175.33 2our s PHE 548 N -3.12 2.13 0.69 -1.77 0.40 -1.19 -5.14 117.98 109.98 2our s PHE 548 Ca 0.08 -0.39 -0.08 0.00 -0.60 0.00 0.00 56.93 55.93 2our s PHE 548 Cb 0.14 -1.13 0.04 0.00 0.51 0.00 0.00 43.02 42.58 2our s PHE 548 CO 0.70 0.33 1.03 0.95 0.70 0.00 0.00 175.22 178.93 2our s THR 549 N -1.26 2.76 0.28 0.64 -4.23 -1.26 -4.90 115.64 107.67 2our s THR 549 Ca 0.13 -0.04 -0.02 0.00 -1.18 0.00 0.00 61.69 60.58 2our s THR 549 Cb -0.09 -3.19 0.20 0.00 1.34 0.00 0.00 72.50 70.76 2our s THR 549 CO 0.06 -0.21 1.88 0.44 -0.54 0.00 0.00 174.62 176.24 2our h ASP 550 N -0.58 0.88 -0.63 3.99 3.32 -1.99 -1.52 116.42 119.88 2our h ASP 550 Ca -0.45 -0.10 -0.08 0.00 0.02 0.00 0.00 57.03 56.42 2our h ASP 550 Cb 1.29 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.59 2our h ASP 550 CO 0.62 0.75 0.07 -0.07 -1.72 0.00 0.00 179.24 178.90 2our h LEU 551 N 0.96 1.03 -0.55 1.55 3.38 -1.99 -2.27 115.31 117.43 2our h LEU 551 Ca 0.23 -0.28 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 2our h LEU 551 Cb 0.12 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 2our h LEU 551 CO -0.03 1.05 -0.11 -0.33 0.09 0.00 0.00 178.44 179.11 2our h GLU 552 N 0.98 1.05 -0.14 1.13 5.08 -1.82 -0.78 114.58 120.08 2our h GLU 552 Ca 0.19 -0.39 -0.02 0.00 -1.00 0.00 0.00 59.36 58.13 2our h GLU 552 Cb 0.48 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 2our h GLU 552 CO 0.02 1.09 -0.00 0.00 -1.00 0.00 0.00 179.01 179.11 2our h ARG 553 N 0.93 0.25 -0.33 2.33 3.08 -1.16 0.62 114.38 120.09 2our h ARG 553 Ca 0.14 -0.08 -0.12 0.00 0.07 0.00 0.00 59.98 59.99 2our h ARG 553 Cb 0.69 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 2our h ARG 553 CO 0.05 0.49 -0.29 1.57 -1.07 0.00 0.00 179.97 180.72 2our h LYS 554 N -0.01 0.69 -0.38 0.04 2.10 -1.43 -2.39 116.57 115.20 2our h LYS 554 Ca 0.04 -0.30 -0.11 0.00 -2.00 0.00 0.00 60.65 58.28 2our h LYS 554 Cb 0.38 -0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 31.68 2our h LYS 554 CO 0.01 0.90 -0.20 0.78 -2.00 0.00 0.00 179.45 178.94 2our h GLY 555 N 0.98 0.87 1.49 0.07 0.00 -1.05 -2.78 103.07 102.65 2our h GLY 555 Ca 0.07 -0.79 -0.13 0.00 0.00 0.00 0.00 47.33 46.48 2our h GLY 555 CO 0.07 0.72 -0.40 1.41 0.00 0.00 0.00 176.54 178.34 2our h LEU 556 N 0.59 0.60 -0.52 3.11 3.38 -0.82 0.52 115.31 122.18 2our h LEU 556 Ca 0.08 -0.26 -0.10 0.00 0.09 0.00 0.00 57.88 57.69 2our h LEU 556 Cb 0.75 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 2our h LEU 556 CO 0.06 0.93 -0.05 -0.07 0.09 0.00 0.00 178.44 179.40 2our h LEU 557 N 0.47 0.94 -0.48 1.67 3.38 -1.45 0.08 115.31 119.92 2our h LEU 557 Ca 0.04 -0.33 -0.08 0.00 0.09 0.00 0.00 57.88 57.60 2our h LEU 557 Cb 0.89 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 2our h LEU 557 CO 0.08 1.05 -0.03 0.40 0.09 0.00 0.00 178.44 180.03 2our h ILE 558 N 0.82 1.27 -0.63 1.22 1.08 -1.37 -2.20 117.51 117.70 2our h ILE 558 Ca 0.14 -1.11 0.03 0.00 -0.39 0.00 0.00 64.86 63.53 2our h ILE 558 Cb 0.59 1.02 -0.04 0.00 -3.07 0.00 0.00 36.82 35.32 2our h ILE 558 CO 0.04 0.39 0.39 0.00 -0.69 0.00 0.00 178.15 178.27 2our h ALA 559 N 0.92 0.82 -0.66 1.87 0.00 -0.59 -1.75 119.26 119.87 2our h ALA 559 Ca 0.13 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 2our h ALA 559 Cb 0.55 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2our h ALA 559 CO 0.03 0.13 0.14 0.00 0.00 0.00 0.00 179.25 179.55 2our h LEU 561 N 0.98 0.04 -1.86 0.00 5.85 -0.98 -3.03 115.31 116.32 2our h LEU 561 Ca 0.20 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.91 2our h LEU 561 Cb 0.39 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.41 2our h LEU 561 CO 0.01 0.28 0.00 0.00 -0.34 0.00 0.00 178.44 178.38 2our h HIS 563 N 4.21 0.00 0.00 0.00 2.07 -0.56 -1.96 115.15 118.91 2our h HIS 563 Ca 0.00 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2our h HIS 563 Cb 0.90 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.88 2our h HIS 563 CO 0.01 0.00 -0.04 -0.25 -3.07 0.00 0.00 177.93 174.58 2our n ASP 564 N -3.48 2.18 -4.60 3.10 8.00 -1.26 -4.86 116.55 115.63 2our n ASP 564 Ca 0.02 -3.03 -0.54 0.00 0.71 0.00 0.00 54.79 51.94 2our n ASP 564 Cb 0.38 -0.42 -0.06 0.00 -0.02 0.00 0.00 41.12 41.00 2our n ASP 564 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2our n LEU 565 N -1.34 1.53 -2.62 0.64 4.77 -0.74 -1.77 117.00 117.47 2our n LEU 565 Ca 0.15 1.12 -0.21 0.00 -0.03 0.00 0.00 56.01 57.04 2our n LEU 565 Cb 0.65 -1.14 0.02 0.00 -2.33 0.00 0.00 43.42 40.61 2our n LEU 565 CO 0.01 -1.07 -0.11 -0.67 -1.33 0.00 0.00 177.39 174.22 2our n ASP 566 N 2.81 -5.84 -4.73 -1.43 2.03 -0.64 -4.42 116.55 104.33 2our n ASP 566 Ca 0.20 -0.17 -0.41 0.00 0.52 0.00 0.00 54.79 54.93 2our n ASP 566 Cb 0.16 -4.75 -0.03 0.00 -0.72 0.00 0.00 41.12 35.78 2our n ASP 566 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 2our s HIS 567 N -3.09 3.47 -2.18 -0.67 2.46 -0.73 -4.91 115.29 109.63 2our s HIS 567 Ca 0.17 1.41 0.22 0.00 0.47 0.00 0.00 55.06 57.32 2our s HIS 567 Cb -0.07 -3.39 0.05 0.00 -0.13 0.00 0.00 32.58 29.03 2our s HIS 567 CO 0.21 -1.11 1.09 0.54 -2.47 0.00 0.00 174.74 172.99 2our n ARG 568 N 3.07 1.56 0.00 2.88 1.74 -1.26 -4.47 116.66 120.18 2our n ARG 568 Ca 0.06 -1.22 0.00 0.00 -0.77 0.00 0.00 57.85 55.91 2our n ARG 568 Cb 0.46 -1.43 0.00 0.00 -1.02 0.00 0.00 32.46 30.46 2our n ARG 568 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2our n GLY 569 N 1.33 1.40 3.29 -0.13 0.00 -1.26 -5.00 105.19 104.81 2our n GLY 569 Ca 0.10 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.96 2our n GLY 569 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2our s PHE 570 N -2.00 1.42 -0.28 1.61 0.40 -1.26 -4.89 117.98 112.98 2our s PHE 570 Ca 0.00 -1.49 -0.22 0.00 -0.60 0.00 0.00 56.93 54.62 2our s PHE 570 Cb 0.00 -0.56 0.11 0.00 0.51 0.00 0.00 43.02 43.08 2our s PHE 570 CO 0.00 -0.82 0.92 0.45 0.70 0.00 0.00 175.22 176.46 2our s SER 587 N -3.27 -0.58 0.00 1.36 0.15 -1.26 -5.04 113.70 105.06 2our s SER 587 Ca 0.38 1.05 0.13 0.00 0.70 0.00 0.00 55.95 58.22 2our s SER 587 Cb 0.04 1.13 0.31 0.00 -1.71 0.00 0.00 66.02 65.79 2our s SER 587 CO 0.21 -0.17 1.22 0.35 1.20 0.00 0.00 173.24 176.05 2our n THR 588 N 2.92 0.76 -3.76 6.45 -2.24 -1.26 -4.99 114.28 112.16 2our n THR 588 Ca -0.15 -0.88 -0.24 0.00 -2.27 0.00 0.00 64.05 60.51 2our n THR 588 Cb 0.57 0.69 0.03 0.00 -2.10 0.00 0.00 70.33 69.51 2our n THR 588 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2our n SER 589 N 0.76 -1.99 -0.11 3.42 7.64 -1.26 -4.90 113.62 117.17 2our n SER 589 Ca 0.13 -0.82 -0.08 0.00 1.01 0.00 0.00 58.87 59.11 2our n SER 589 Cb 0.44 -3.98 0.00 0.00 -1.01 0.00 0.00 64.21 59.66 2our n SER 589 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2our h THR 590 N -1.93 1.07 -0.18 0.44 2.02 -2.00 -1.74 112.91 110.59 2our h THR 590 Ca -0.60 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 66.41 2our h THR 590 Cb 1.36 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 68.31 2our h THR 590 CO 0.59 0.09 0.12 0.24 0.37 0.00 0.00 175.52 176.93 2our h MET 591 N 0.48 0.24 -0.62 6.66 0.00 -1.96 -2.28 114.93 117.46 2our h MET 591 Ca 0.14 -0.02 -0.01 0.00 0.00 0.00 0.00 59.70 59.81 2our h MET 591 Cb -0.03 -0.05 -0.03 0.00 0.00 0.00 0.00 31.60 31.48 2our h MET 591 CO -0.05 0.18 0.33 0.93 0.00 0.00 0.00 176.91 178.30 2our h GLU 592 N 0.24 0.86 -0.21 1.72 3.07 -1.86 -0.55 114.58 117.85 2our h GLU 592 Ca 0.07 -0.10 -0.08 0.00 -0.50 0.00 0.00 59.36 58.75 2our h GLU 592 Cb -0.01 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 27.71 2our h GLU 592 CO -0.01 0.64 -0.21 1.96 -1.40 0.00 0.00 179.01 179.99 2our h GLN 593 N 0.87 0.37 -0.35 2.33 4.20 -1.08 -1.99 115.11 119.46 2our h GLN 593 Ca 0.22 -0.12 -0.09 0.00 0.06 0.00 0.00 58.65 58.71 2our h GLN 593 Cb 0.04 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 2our h GLN 593 CO -0.03 0.57 -0.15 1.25 -0.67 0.00 0.00 178.83 179.79 2our h HIS 594 N 0.34 0.82 -1.00 2.96 2.76 -0.65 -1.43 115.15 118.95 2our h HIS 594 Ca 0.06 -0.20 0.03 0.00 -2.20 0.00 0.00 60.37 58.06 2our h HIS 594 Cb 0.56 -0.19 -0.06 0.00 1.55 0.00 0.00 27.41 29.27 2our h HIS 594 CO 0.01 0.91 0.66 0.45 -1.30 0.00 0.00 177.93 178.66 2our h HIS 595 N 0.50 1.23 -0.46 5.26 3.86 -0.75 -0.40 115.15 124.39 2our h HIS 595 Ca 0.08 0.03 -0.12 0.00 -1.16 0.00 0.00 60.37 59.20 2our h HIS 595 Cb 0.69 -0.41 -0.01 0.00 1.06 0.00 0.00 27.41 28.73 2our h HIS 595 CO 0.06 0.72 -0.20 0.35 0.86 0.00 0.00 177.93 179.72 2our h PHE 596 N 1.28 1.08 -0.89 2.45 3.57 -1.22 -1.86 116.94 121.36 2our h PHE 596 Ca 0.39 -0.26 0.01 0.00 3.53 0.00 0.00 57.97 61.64 2our h PHE 596 Cb -0.03 -0.25 -0.05 0.00 2.79 0.00 0.00 35.95 38.41 2our h PHE 596 CO -0.00 1.07 0.59 1.03 -2.23 0.00 0.00 178.31 178.76 2our h SER 597 N 0.79 1.01 -0.67 0.41 0.87 -0.46 -0.61 113.55 114.88 2our h SER 597 Ca 0.10 -0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.59 2our h SER 597 Cb 0.77 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 62.45 2our h SER 597 CO 0.06 0.72 0.22 1.56 -0.53 0.00 0.00 176.83 178.87 2our h GLN 598 N 1.19 1.06 -0.27 2.24 1.08 -0.90 -0.82 115.11 118.69 2our h GLN 598 Ca 0.33 -0.21 -0.01 0.00 -1.45 0.00 0.00 58.65 57.30 2our h GLN 598 Cb -0.12 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.14 2our h GLN 598 CO -0.08 0.90 0.12 1.15 -0.95 0.00 0.00 178.83 179.97 2our h THR 599 N 1.02 1.16 -0.74 -0.54 2.02 -0.58 -1.96 112.91 113.30 2our h THR 599 Ca 0.23 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 66.93 2our h THR 599 Cb 0.28 0.98 -0.04 0.00 -1.74 0.00 0.00 68.15 67.64 2our h THR 599 CO -0.01 0.16 0.47 0.58 0.37 0.00 0.00 175.52 177.10 2our h VAL 600 N 0.29 1.20 -0.75 3.16 2.07 -0.81 -1.87 116.25 119.53 2our h VAL 600 Ca 0.09 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 2our h VAL 600 Cb 0.15 0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.02 2our h VAL 600 CO -0.01 0.20 0.46 0.28 0.02 0.00 0.00 177.57 178.52 2our h SER 601 N 1.00 0.89 -0.27 0.57 0.02 -0.84 -1.61 113.55 113.31 2our h SER 601 Ca 0.27 -0.04 -0.14 0.00 -0.84 0.00 0.00 61.79 61.04 2our h SER 601 Cb -0.08 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.23 2our h SER 601 CO -0.05 0.68 -0.37 0.40 -1.14 0.00 0.00 176.83 176.35 2our h ILE 602 N 1.03 1.30 0.00 3.27 2.04 -0.93 -2.90 117.51 121.32 2our h ILE 602 Ca 0.27 -1.55 -0.01 0.00 1.00 0.00 0.00 64.86 64.57 2our h ILE 602 Cb -0.06 1.66 -0.00 0.00 -0.74 0.00 0.00 36.82 37.67 2our h ILE 602 CO -0.05 0.50 -0.05 -0.07 0.00 0.00 0.00 178.15 178.47 2our h LEU 603 N 0.46 0.00 0.00 1.44 3.38 -0.90 -1.58 115.31 118.11 2our h LEU 603 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2our h LEU 603 Cb 0.95 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.70 2our h LEU 603 CO 0.09 0.05 -0.20 1.56 0.09 0.00 0.00 178.44 180.03 2our h GLN 604 N 0.00 0.00 -6.93 1.13 4.20 -1.10 -3.26 115.11 109.14 2our h GLN 604 Ca -0.00 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.19 2our h GLN 604 Cb 0.18 0.00 0.06 0.00 0.30 0.00 0.00 27.48 28.02 2our h GLN 604 CO 0.01 0.00 0.55 -0.51 -0.67 0.00 0.00 178.83 178.21 2our s LEU 605 N -4.54 4.23 0.28 1.46 1.43 -0.59 -4.95 118.68 116.00 2our s LEU 605 Ca 0.09 2.49 -0.30 0.00 -1.03 0.00 0.00 54.13 55.37 2our s LEU 605 Cb 0.12 -3.94 -0.13 0.00 0.03 0.00 0.00 46.19 42.28 2our s LEU 605 CO 0.64 -0.72 1.43 1.21 0.23 0.00 0.00 176.35 179.14 2our n GLU 606 N 0.18 2.23 -0.94 1.70 2.13 -1.26 -1.33 120.64 123.35 2our n GLU 606 Ca 0.04 0.79 0.00 0.00 0.66 0.00 0.00 57.16 58.65 2our n GLU 606 Cb 0.45 -2.46 0.00 0.00 0.27 0.00 0.00 31.44 29.70 2our n GLU 606 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2our n GLY 607 N 1.82 0.36 0.10 8.31 0.00 -1.26 -4.84 105.19 109.68 2our n GLY 607 Ca 0.09 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.13 2our n GLY 607 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2our n HIS 608 N -2.42 0.00 -2.64 1.61 8.25 -0.44 -4.63 115.22 114.96 2our n HIS 608 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 2our n HIS 608 Cb 0.16 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.25 2our n HIS 608 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 2our s ASN 609 N -0.93 6.68 0.26 0.41 3.84 -1.23 -4.61 114.94 119.35 2our s ASN 609 Ca 0.04 -1.99 0.21 0.00 0.21 0.00 0.00 52.86 51.33 2our s ASN 609 Cb 0.04 -2.54 0.99 0.00 -0.55 0.00 0.00 41.25 39.18 2our s ASN 609 CO 0.12 -1.28 1.65 2.30 -2.79 0.00 0.00 177.10 177.10 2our n ILE 610 N 6.39 0.97 -0.57 -5.21 -5.35 -1.26 -2.18 119.36 112.15 2our n ILE 610 Ca 0.38 0.43 0.09 0.00 -0.27 0.00 0.00 62.75 63.39 2our n ILE 610 Cb 0.48 -1.38 0.33 0.00 -1.74 0.00 0.00 39.64 37.33 2our n ILE 610 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 2our n PHE 611 N -2.17 1.29 0.26 4.28 0.99 -1.26 -4.50 117.46 116.35 2our n PHE 611 Ca 0.01 -0.60 0.13 0.00 -0.00 0.00 0.00 57.45 56.99 2our n PHE 611 Cb 0.14 -0.19 0.70 0.00 -1.00 0.00 0.00 39.48 39.14 2our n PHE 611 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 2our h SER 612 N 3.83 0.00 0.50 4.37 4.64 -1.85 -2.23 113.55 122.81 2our h SER 612 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2our h SER 612 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 2our h SER 612 CO 0.17 0.13 0.00 0.35 -0.87 0.00 0.00 176.83 176.61 2our n THR 613 N -3.58 0.05 -2.74 2.95 -2.24 -1.26 -4.83 114.28 102.63 2our n THR 613 Ca -0.02 0.01 -0.31 0.00 -2.27 0.00 0.00 64.05 61.47 2our n THR 613 Cb 0.26 -0.54 -0.03 0.00 -2.10 0.00 0.00 70.33 67.92 2our n THR 613 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2our s LEU 614 N -2.52 3.78 0.88 3.22 1.43 -0.84 -5.06 118.68 119.56 2our s LEU 614 Ca 0.29 1.25 -0.12 0.00 -1.03 0.00 0.00 54.13 54.52 2our s LEU 614 Cb 0.19 -4.15 0.12 0.00 0.03 0.00 0.00 46.19 42.39 2our s LEU 614 CO 0.43 -0.44 1.10 -0.94 0.23 0.00 0.00 176.35 176.73 2our s SER 615 N -3.11 3.69 0.23 2.29 1.04 -1.26 -4.73 113.70 111.85 2our s SER 615 Ca 0.53 1.32 -0.06 0.00 0.48 0.00 0.00 55.95 58.22 2our s SER 615 Cb -0.10 -2.00 0.34 0.00 0.10 0.00 0.00 66.02 64.36 2our s SER 615 CO 0.31 -2.48 1.81 -1.28 0.98 0.00 0.00 173.24 172.58 2our h SER 616 N -1.44 0.64 -0.06 7.02 0.87 -1.97 0.38 113.55 118.98 2our h SER 616 Ca -0.49 0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.10 2our h SER 616 Cb 1.29 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 63.17 2our h SER 616 CO 0.57 0.38 0.02 -1.28 -0.53 0.00 0.00 176.83 176.00 2our h SER 617 N 0.76 0.09 0.06 6.23 0.87 -2.00 -2.33 113.55 117.23 2our h SER 617 Ca 0.36 -0.18 -0.07 0.00 -1.23 0.00 0.00 61.79 60.68 2our h SER 617 Cb 0.29 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.22 2our h SER 617 CO -0.22 0.25 -0.20 -0.33 -0.53 0.00 0.00 176.83 175.80 2our h GLU 618 N -0.07 0.26 -0.25 2.24 5.08 -1.81 -1.42 114.58 118.61 2our h GLU 618 Ca 0.02 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 2our h GLU 618 Cb 0.19 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 2our h GLU 618 CO -0.00 0.45 0.02 -0.92 -1.00 0.00 0.00 179.01 177.57 2our h TYR 619 N 0.24 0.46 -0.73 4.33 3.20 -0.81 0.03 116.97 123.69 2our h TYR 619 Ca 0.04 -0.07 -0.00 0.00 3.14 0.00 0.00 58.73 61.84 2our h TYR 619 Cb 0.49 -0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.60 2our h TYR 619 CO 0.01 0.57 0.44 0.93 -1.64 0.00 0.00 178.16 178.47 2our h GLU 620 N 0.23 0.99 -0.26 1.82 5.08 -1.13 -1.76 114.58 119.55 2our h GLU 620 Ca 0.07 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2our h GLU 620 Cb 0.37 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 2our h GLU 620 CO 0.01 0.70 0.14 1.96 -1.00 0.00 0.00 179.01 180.82 2our h GLN 621 N 0.99 0.36 -0.30 2.33 4.20 -1.01 -2.21 115.11 119.47 2our h GLN 621 Ca 0.26 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.84 2our h GLN 621 Cb -0.04 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 2our h GLN 621 CO -0.05 0.31 -0.19 -0.24 -0.67 0.00 0.00 178.83 177.99 2our h VAL 622 N 0.31 1.26 -0.30 -0.54 3.04 -0.79 -1.59 116.25 117.64 2our h VAL 622 Ca 0.09 -1.19 -0.07 0.00 -1.01 0.00 0.00 66.70 64.52 2our h VAL 622 Cb 0.05 1.24 -0.02 0.00 -2.01 0.00 0.00 31.29 30.55 2our h VAL 622 CO -0.02 0.39 -0.11 -0.07 -1.01 0.00 0.00 177.57 176.75 2our h LEU 623 N 0.50 0.48 -0.43 3.16 3.38 -1.15 -0.81 115.31 120.43 2our h LEU 623 Ca 0.08 -0.12 -0.17 0.00 0.09 0.00 0.00 57.88 57.76 2our h LEU 623 Cb 0.61 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 2our h LEU 623 CO 0.04 0.63 -0.49 -0.33 0.09 0.00 0.00 178.44 178.38 2our h GLU 624 N 0.47 0.75 -0.36 1.13 4.39 -0.96 0.25 114.58 120.26 2our h GLU 624 Ca 0.09 -0.45 -0.01 0.00 0.34 0.00 0.00 59.36 59.34 2our h GLU 624 Cb 0.47 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.15 2our h GLU 624 CO 0.03 1.07 0.20 0.82 -1.16 0.00 0.00 179.01 179.97 2our h ILE 625 N 0.59 1.13 -0.25 3.13 2.04 -0.88 -0.94 117.51 122.33 2our h ILE 625 Ca 0.03 -0.34 -0.02 0.00 1.00 0.00 0.00 64.86 65.52 2our h ILE 625 Cb 1.07 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 2our h ILE 625 CO 0.11 0.14 0.06 0.40 0.00 0.00 0.00 178.15 178.85 2our h ILE 626 N 0.46 1.21 0.31 -0.67 2.04 -1.03 -1.20 117.51 118.63 2our h ILE 626 Ca 0.13 -0.68 -0.01 0.00 1.00 0.00 0.00 64.86 65.29 2our h ILE 626 Cb 0.04 1.19 -0.00 0.00 -0.74 0.00 0.00 36.82 37.31 2our h ILE 626 CO -0.02 0.22 -0.19 -0.09 0.00 0.00 0.00 178.15 178.07 2our h ARG 627 N 0.23 -0.45 -0.59 2.37 2.43 -0.81 -0.88 114.38 116.67 2our h ARG 627 Ca 0.08 0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.35 2our h ARG 627 Cb 0.27 0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 29.87 2our h ARG 627 CO 0.00 -0.30 0.27 0.87 -1.51 0.00 0.00 179.97 179.29 2our h LYS 628 N -0.47 0.47 -0.40 0.20 1.57 -1.16 -0.57 116.57 116.21 2our h LYS 628 Ca -0.03 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 2our h LYS 628 Cb 0.39 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 2our h LYS 628 CO 0.04 0.31 0.21 0.00 -0.57 0.00 0.00 179.45 179.44 2our h ALA 629 N 1.36 0.52 -0.55 3.86 0.00 -1.01 -1.20 119.26 122.24 2our h ALA 629 Ca 0.28 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 2our h ALA 629 Cb 0.28 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2our h ALA 629 CO -0.24 0.06 0.02 0.82 0.00 0.00 0.00 179.25 179.91 2our h ILE 630 N 0.52 1.26 -0.72 0.00 2.04 -0.71 -2.69 117.51 117.21 2our h ILE 630 Ca 0.14 -1.09 -0.03 0.00 1.00 0.00 0.00 64.86 64.89 2our h ILE 630 Cb 0.08 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 2our h ILE 630 CO -0.02 0.39 0.35 0.40 0.00 0.00 0.00 178.15 179.27 2our h ILE 631 N 0.84 1.23 0.00 -0.67 1.08 -0.95 -2.02 117.51 117.02 2our h ILE 631 Ca 0.16 -0.64 0.00 0.00 -0.39 0.00 0.00 64.86 63.99 2our h ILE 631 Cb 0.51 0.30 0.00 0.00 -3.07 0.00 0.00 36.82 34.57 2our h ILE 631 CO 0.02 0.27 0.01 0.00 -0.69 0.00 0.00 178.15 177.77 2our h ALA 632 N 1.36 1.01 0.00 1.87 0.00 -0.87 -1.84 119.26 120.78 2our h ALA 632 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2our h ALA 632 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2our h ALA 632 CO -0.03 -0.01 0.00 0.25 0.00 0.00 0.00 179.25 179.46 2our n THR 633 N -2.92 0.00 -2.57 0.00 -2.24 -0.76 -4.53 114.28 101.27 2our n THR 633 Ca -0.03 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.33 2our n THR 633 Cb 0.07 -0.56 -0.03 0.00 -2.10 0.00 0.00 70.33 67.72 2our n THR 633 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2our s ASP 634 N -1.92 6.37 0.62 3.42 -1.08 -0.70 -4.87 116.67 118.52 2our s ASP 634 Ca 0.33 -0.00 0.30 0.00 -0.52 0.00 0.00 52.55 52.66 2our s ASP 634 Cb 0.15 -2.55 1.62 0.00 -1.46 0.00 0.00 42.92 40.68 2our s ASP 634 CO 0.26 -1.57 1.99 0.25 0.52 0.00 0.00 175.17 176.61 2our h LEU 635 N 12.22 0.00 -1.90 -1.34 5.85 -1.90 -0.05 115.31 128.20 2our h LEU 635 Ca -0.26 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.45 2our h LEU 635 Cb 1.06 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.08 2our h LEU 635 CO 1.21 0.00 -0.07 0.00 -0.34 0.00 0.00 178.44 179.24 2our h ALA 636 N 1.54 1.84 0.00 1.25 0.00 -1.93 -1.68 119.26 120.27 2our h ALA 636 Ca 0.10 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2our h ALA 636 Cb 0.76 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2our h ALA 636 CO -0.00 0.09 -0.43 -0.07 0.00 0.00 0.00 179.25 178.83 2our h LEU 637 N 0.00 0.00 -0.07 0.00 3.38 -1.33 -3.38 115.31 113.91 2our h LEU 637 Ca -0.00 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 57.91 2our h LEU 637 Cb 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2our h LEU 637 CO 0.01 0.03 0.01 0.22 0.09 0.00 0.00 178.44 178.81 2our h TYR 638 N 0.00 0.02 -0.48 1.13 3.20 -1.34 -2.51 116.97 116.99 2our h TYR 638 Ca 0.00 0.00 0.08 0.00 3.14 0.00 0.00 58.73 61.95 2our h TYR 638 Cb 0.86 -0.00 -0.06 0.00 1.54 0.00 0.00 36.73 39.07 2our h TYR 638 CO 0.00 0.01 0.11 0.74 -1.64 0.00 0.00 178.16 177.38 2our h PHE 639 N 0.04 0.19 -0.50 -3.82 -1.00 -1.74 0.79 116.94 110.90 2our h PHE 639 Ca 0.03 0.03 -0.08 0.00 2.81 0.00 0.00 57.97 60.75 2our h PHE 639 Cb 0.02 -0.01 -0.02 0.00 3.61 0.00 0.00 35.95 39.55 2our h PHE 639 CO -0.10 0.02 -0.01 0.78 -1.61 0.00 0.00 178.31 177.39 2our h GLY 640 N 0.25 0.96 1.00 -1.45 0.00 -1.80 -2.03 103.07 99.99 2our h GLY 640 Ca 0.24 -0.71 0.00 0.00 0.00 0.00 0.00 47.33 46.86 2our h GLY 640 CO -0.30 0.65 0.15 -0.57 0.00 0.00 0.00 176.54 176.47 2our h ASN 641 N 0.75 0.26 -0.55 0.19 -0.00 -0.93 -1.89 115.58 113.41 2our h ASN 641 Ca 0.14 -0.01 -0.02 0.00 -0.00 0.00 0.00 56.30 56.40 2our h ASN 641 Cb 0.53 -0.06 -0.02 0.00 -0.00 0.00 0.00 38.32 38.76 2our h ASN 641 CO 0.03 0.20 0.25 -0.09 -0.00 0.00 0.00 177.43 177.82 2our h ARG 642 N 0.30 0.80 -0.67 6.67 1.12 -0.81 -1.31 114.38 120.48 2our h ARG 642 Ca 0.08 -0.12 0.02 0.00 -1.11 0.00 0.00 59.98 58.85 2our h ARG 642 Cb -0.03 -0.14 -0.04 0.00 -0.01 0.00 0.00 29.97 29.76 2our h ARG 642 CO -0.02 0.66 0.43 -0.22 -3.11 0.00 0.00 179.97 177.72 2our h LYS 643 N 0.74 0.84 -0.31 0.20 3.64 -1.18 -0.25 116.57 120.26 2our h LYS 643 Ca 0.19 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.50 2our h LYS 643 Cb 0.14 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 2our h LYS 643 CO -0.02 0.56 0.12 1.96 -2.27 0.00 0.00 179.45 179.79 2our h GLN 644 N 0.87 0.46 -0.84 1.90 1.08 -1.09 -2.52 115.11 114.97 2our h GLN 644 Ca 0.26 -0.09 -0.01 0.00 -1.45 0.00 0.00 58.65 57.36 2our h GLN 644 Cb -0.04 -0.07 -0.04 0.00 -0.05 0.00 0.00 27.48 27.27 2our h GLN 644 CO -0.08 0.48 0.49 -0.07 -0.95 0.00 0.00 178.83 178.70 2our h LEU 645 N 0.34 1.02 -0.45 1.46 3.38 -0.83 -1.43 115.31 118.80 2our h LEU 645 Ca 0.10 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2our h LEU 645 Cb 0.19 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 2our h LEU 645 CO -0.01 0.79 0.25 -0.08 0.09 0.00 0.00 178.44 179.49 2our h GLU 646 N 1.15 0.62 -0.29 1.13 4.57 -0.92 0.36 114.58 121.20 2our h GLU 646 Ca 0.30 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.40 2our h GLU 646 Cb -0.02 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.43 2our h GLU 646 CO -0.05 0.48 0.13 1.49 -1.18 0.00 0.00 179.01 179.88 2our h GLU 647 N 0.59 0.43 -0.46 1.92 4.81 -1.18 -0.94 114.58 119.73 2our h GLU 647 Ca 0.16 -0.07 0.03 0.00 -0.13 0.00 0.00 59.36 59.35 2our h GLU 647 Cb 0.04 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 2our h GLU 647 CO -0.03 0.42 0.26 0.52 -0.73 0.00 0.00 179.01 179.46 2our h MET 648 N 0.34 0.50 -0.08 1.92 2.86 -1.01 0.15 114.93 119.61 2our h MET 648 Ca 0.10 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.71 2our h MET 648 Cb 0.14 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.69 2our h MET 648 CO -0.01 0.33 0.04 -0.92 1.06 0.00 0.00 176.91 177.41 2our h TYR 649 N 0.52 0.10 -0.28 -0.22 3.20 -0.73 0.14 116.97 119.70 2our h TYR 649 Ca 0.19 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.95 2our h TYR 649 Cb 0.05 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 2our h TYR 649 CO -0.08 0.16 -0.29 1.96 -1.64 0.00 0.00 178.16 178.27 2our h GLN 650 N 0.02 0.57 -0.00 1.82 4.20 -0.96 -2.88 115.11 117.89 2our h GLN 650 Ca 0.03 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 58.50 2our h GLN 650 Cb 0.09 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.84 2our h GLN 650 CO -0.00 0.80 -0.16 0.25 -0.67 0.00 0.00 178.83 179.05 2our n THR 651 N -4.09 0.00 -1.56 -0.54 -2.24 0.02 -4.92 114.28 100.94 2our n THR 651 Ca -0.01 -0.02 -0.04 0.00 -2.27 0.00 0.00 64.05 61.71 2our n THR 651 Cb 0.44 -0.16 -0.01 0.00 -2.10 0.00 0.00 70.33 68.50 2our n THR 651 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2our n GLY 652 N 1.40 0.46 0.00 3.38 0.00 -0.59 -4.93 105.19 104.92 2our n GLY 652 Ca 0.10 -0.81 0.10 0.00 0.00 0.00 0.00 46.02 45.41 2our n GLY 652 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2our n SER 653 N 1.30 0.80 -4.70 1.61 3.41 -0.07 -4.93 113.62 111.04 2our n SER 653 Ca -0.04 -0.72 -0.42 0.00 -0.26 0.00 0.00 58.87 57.42 2our n SER 653 Cb 0.32 0.98 -0.03 0.00 -0.26 0.00 0.00 64.21 65.22 2our n SER 653 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2our s LEU 654 N -3.24 4.39 -0.26 1.04 2.96 -0.93 -4.96 118.68 117.67 2our s LEU 654 Ca 0.06 2.81 -0.00 0.00 -0.22 0.00 0.00 54.13 56.78 2our s LEU 654 Cb 0.16 -3.58 0.08 0.00 0.50 0.00 0.00 46.19 43.35 2our s LEU 654 CO 0.84 -1.00 0.04 0.21 -1.32 0.00 0.00 176.35 175.12 2our s ASN 655 N 2.11 3.80 0.00 3.68 3.04 -1.26 -4.99 114.94 121.32 2our s ASN 655 Ca 0.79 -1.37 0.17 0.00 0.04 0.00 0.00 52.86 52.48 2our s ASN 655 Cb -0.48 -0.97 0.98 0.00 -1.54 0.00 0.00 41.25 39.24 2our s ASN 655 CO 0.35 -0.34 1.40 0.18 -3.04 0.00 0.00 177.10 175.65 2our n LEU 656 N 4.78 0.00 0.04 3.21 7.99 -1.26 -1.46 117.00 130.30 2our n LEU 656 Ca -0.06 0.02 0.11 0.00 -0.01 0.00 0.00 56.01 56.07 2our n LEU 656 Cb 0.44 -0.02 0.04 0.00 -0.11 0.00 0.00 43.42 43.77 2our n LEU 656 CO 0.15 -0.01 0.03 0.59 -1.51 0.00 0.00 177.39 176.64 2our n ASN 657 N -1.02 0.63 -4.63 -1.43 3.02 -1.26 -4.72 115.26 105.85 2our n ASN 657 Ca 0.12 -0.07 -0.42 0.00 -0.03 0.00 0.00 54.58 54.19 2our n ASN 657 Cb 0.06 0.69 -0.04 0.00 -0.61 0.00 0.00 39.78 39.87 2our n ASN 657 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2our s ASN 658 N -4.19 6.76 0.23 6.41 3.04 -0.53 -4.95 114.94 121.70 2our s ASN 658 Ca 0.03 0.87 -0.06 0.00 0.04 0.00 0.00 52.86 53.74 2our s ASN 658 Cb 0.14 -2.43 0.37 0.00 -1.54 0.00 0.00 41.25 37.79 2our s ASN 658 CO 0.79 -0.58 1.75 -0.61 -3.04 0.00 0.00 177.10 175.41 2our h GLN 659 N 7.89 0.48 -0.22 0.43 5.75 -1.87 0.31 115.11 127.88 2our h GLN 659 Ca -0.23 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.22 2our h GLN 659 Cb 1.09 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 29.52 2our h GLN 659 CO 0.88 0.32 0.07 0.66 -2.65 0.00 0.00 178.83 178.11 2our h SER 660 N 0.49 0.27 -0.08 -0.69 4.64 -1.93 0.26 113.55 116.51 2our h SER 660 Ca 0.37 -0.02 -0.14 0.00 -0.47 0.00 0.00 61.79 61.52 2our h SER 660 Cb 0.48 -0.07 0.01 0.00 -0.31 0.00 0.00 62.40 62.51 2our h SER 660 CO -0.33 0.26 -0.51 0.45 -0.87 0.00 0.00 176.83 175.82 2our h HIS 661 N 0.30 0.66 -0.90 4.77 3.86 -1.31 -2.20 115.15 120.34 2our h HIS 661 Ca 0.08 -0.31 -0.00 0.00 -1.16 0.00 0.00 60.37 58.98 2our h HIS 661 Cb 0.09 -0.10 -0.04 0.00 1.06 0.00 0.00 27.41 28.42 2our h HIS 661 CO 0.00 1.09 0.56 0.00 0.86 0.00 0.00 177.93 180.44 2our h ARG 662 N 0.05 1.20 -0.74 2.45 3.08 -0.37 -1.24 114.38 118.81 2our h ARG 662 Ca -0.04 -0.10 0.01 0.00 0.07 0.00 0.00 59.98 59.92 2our h ARG 662 Cb 1.17 -0.26 -0.04 0.00 0.08 0.00 0.00 29.97 30.93 2our h ARG 662 CO 0.10 0.82 0.49 -0.44 -1.07 0.00 0.00 179.97 179.88 2our h ASP 663 N 1.23 0.85 -0.53 7.04 3.32 -0.40 0.12 116.42 128.05 2our h ASP 663 Ca 0.32 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.31 2our h ASP 663 Cb -0.08 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.23 2our h ASP 663 CO -0.06 0.61 0.17 0.03 -1.72 0.00 0.00 179.24 178.27 2our h ARG 664 N 1.00 0.82 -0.53 3.56 3.08 -0.69 0.10 114.38 121.72 2our h ARG 664 Ca 0.27 -0.17 -0.04 0.00 0.07 0.00 0.00 59.98 60.11 2our h ARG 664 Cb -0.11 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.79 2our h ARG 664 CO -0.06 0.75 0.17 0.28 -1.07 0.00 0.00 179.97 180.04 2our h VAL 665 N 0.73 1.23 -0.44 2.04 2.07 -0.78 -1.01 116.25 120.10 2our h VAL 665 Ca 0.17 -0.77 -0.05 0.00 0.82 0.00 0.00 66.70 66.86 2our h VAL 665 Cb 0.27 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 2our h VAL 665 CO -0.01 0.29 0.05 0.40 0.02 0.00 0.00 177.57 178.32 2our h ILE 666 N 0.73 1.22 -0.69 4.57 2.04 -0.52 -0.82 117.51 124.03 2our h ILE 666 Ca 0.17 -0.84 -0.04 0.00 1.00 0.00 0.00 64.86 65.15 2our h ILE 666 Cb 0.27 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 2our h ILE 666 CO -0.01 0.30 0.26 1.23 0.00 0.00 0.00 178.15 179.93 2our h GLY 667 N 0.91 1.12 1.29 5.37 0.00 -0.19 -0.55 103.07 111.02 2our h GLY 667 Ca 0.14 -0.63 -0.08 0.00 0.00 0.00 0.00 47.33 46.76 2our h GLY 667 CO 0.01 0.59 -0.02 -2.00 0.00 0.00 0.00 176.54 175.12 2our h LEU 668 N 0.99 0.83 -0.89 3.11 5.85 -0.67 -2.13 115.31 122.40 2our h LEU 668 Ca 0.23 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 2our h LEU 668 Cb 0.24 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 2our h LEU 668 CO -0.02 0.91 0.47 0.24 -0.34 0.00 0.00 178.44 179.70 2our h MET 669 N 0.79 1.25 -0.70 1.25 2.86 -0.53 -0.12 114.93 119.74 2our h MET 669 Ca 0.15 -0.16 -0.05 0.00 -2.06 0.00 0.00 59.70 57.58 2our h MET 669 Cb 0.50 -0.24 -0.03 0.00 0.06 0.00 0.00 31.60 31.90 2our h MET 669 CO 0.03 0.93 0.24 0.52 1.06 0.00 0.00 176.91 179.69 2our h MET 670 N 1.25 1.05 -0.28 1.72 2.86 -0.62 -0.42 114.93 120.49 2our h MET 670 Ca 0.31 -0.20 -0.04 0.00 -2.06 0.00 0.00 59.70 57.71 2our h MET 670 Cb 0.06 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.54 2our h MET 670 CO -0.05 0.88 0.03 1.15 1.06 0.00 0.00 176.91 179.98 2our h THR 671 N 1.02 1.24 -0.94 2.22 2.02 -0.87 -0.16 112.91 117.44 2our h THR 671 Ca 0.23 -0.84 0.08 0.00 0.77 0.00 0.00 66.41 66.65 2our h THR 671 Cb 0.25 1.25 -0.07 0.00 -1.74 0.00 0.00 68.15 67.84 2our h THR 671 CO -0.01 0.27 0.59 0.00 0.37 0.00 0.00 175.52 176.74 2our h ALA 672 N 0.85 1.33 -0.21 6.16 0.00 -0.63 -0.93 119.26 125.83 2our h ALA 672 Ca 0.08 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 2our h ALA 672 Cb 0.37 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2our h ALA 672 CO 0.01 0.31 -0.44 0.00 0.00 0.00 0.00 179.25 179.13 2our h ALA 674 N 0.61 1.70 -0.42 0.00 0.00 -0.41 -2.44 119.26 118.29 2our h ALA 674 Ca 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2our h ALA 674 Cb 1.04 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2our h ALA 674 CO 0.10 0.23 0.00 1.28 0.00 0.00 0.00 179.25 180.86 2our n LEU 675 N -4.40 3.16 0.00 0.00 4.77 -0.41 -4.65 117.00 115.48 2our n LEU 675 Ca -0.01 -1.42 0.00 0.00 -0.03 0.00 0.00 56.01 54.55 2our n LEU 675 Cb 0.17 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 2our n LEU 675 CO 0.36 0.71 0.41 0.00 -1.33 0.00 0.00 177.39 177.54 2our h SER 677 N 0.00 0.00 -0.07 0.00 4.64 -1.85 -0.69 113.55 115.58 2our h SER 677 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2our h SER 677 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 2our h SER 677 CO 0.00 0.05 0.00 1.33 -0.87 0.00 0.00 176.83 177.34 2our n VAL 678 N -3.62 0.09 -0.48 0.95 0.24 -0.93 -3.68 118.33 110.91 2our n VAL 678 Ca -0.02 -0.15 0.05 0.00 -2.04 0.00 0.00 64.34 62.18 2our n VAL 678 Cb 0.15 -0.00 0.12 0.00 -1.47 0.00 0.00 33.84 32.64 2our n VAL 678 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2our n THR 679 N -0.31 1.45 -2.58 3.34 -2.24 -0.27 -4.00 114.28 109.69 2our n THR 679 Ca 0.15 -1.46 -0.22 0.00 -2.27 0.00 0.00 64.05 60.24 2our n THR 679 Cb 0.18 0.18 0.12 0.00 -2.10 0.00 0.00 70.33 68.71 2our n THR 679 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2our n LYS 680 N -0.46 -0.12 -2.28 -0.78 4.76 -1.24 -4.43 118.16 113.61 2our n LYS 680 Ca 0.11 -2.59 -0.35 0.00 -2.87 0.00 0.00 58.31 52.61 2our n LYS 680 Cb 0.51 -0.66 -0.00 0.00 -1.84 0.00 0.00 35.03 33.04 2our n LYS 680 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2our s LEU 681 N 0.00 3.73 0.25 -0.35 1.43 -1.26 -4.66 118.68 117.82 2our s LEU 681 Ca 0.64 2.08 -0.04 0.00 -1.03 0.00 0.00 54.13 55.78 2our s LEU 681 Cb -0.04 -4.57 0.50 0.00 0.03 0.00 0.00 46.19 42.12 2our s LEU 681 CO 0.42 -1.14 1.67 -0.25 0.23 0.00 0.00 176.35 177.29 2our h TRP 682 N 1.16 0.26 -0.31 0.29 -0.00 -1.97 0.30 115.95 115.68 2our h TRP 682 Ca -0.49 0.05 0.09 0.00 -0.00 0.00 0.00 58.89 58.53 2our h TRP 682 Cb 1.25 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 30.40 2our h TRP 682 CO 0.53 -0.12 0.29 -1.35 -0.00 0.00 0.00 178.44 177.80 2our h PRO 683 N 0.25 0.00 0.00 2.65 0.11 -1.91 0.26 132.00 133.36 2our h PRO 683 Ca 0.44 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 66.37 2our h PRO 683 Cb 0.78 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.86 2our h PRO 683 CO -0.55 0.00 -1.09 0.28 -0.21 0.00 0.00 178.00 176.43 2our h VAL 684 N 0.00 0.71 -0.78 3.15 2.07 -1.37 -3.36 116.25 116.68 2our h VAL 684 Ca 0.15 -1.92 0.04 0.00 0.82 0.00 0.00 66.70 65.79 2our h VAL 684 Cb 0.73 1.73 -0.05 0.00 -1.52 0.00 0.00 31.29 32.19 2our h VAL 684 CO -0.00 0.24 0.51 0.74 0.02 0.00 0.00 177.57 179.08 2our h THR 685 N -1.00 1.10 -0.77 2.57 2.02 -0.87 -0.66 112.91 115.30 2our h THR 685 Ca -0.27 -0.32 -0.04 0.00 0.77 0.00 0.00 66.41 66.55 2our h THR 685 Cb 1.13 0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 2our h THR 685 CO -0.17 0.17 0.33 0.07 0.37 0.00 0.00 175.52 176.29 2our h LYS 686 N 0.93 1.13 0.00 6.66 2.10 -1.15 -1.37 116.57 124.86 2our h LYS 686 Ca 0.32 -0.19 -0.09 0.00 -2.00 0.00 0.00 60.65 58.69 2our h LYS 686 Cb 0.09 -0.19 -0.01 0.00 -0.90 0.00 0.00 32.23 31.22 2our h LYS 686 CO -0.10 0.90 -0.41 -0.07 -2.00 0.00 0.00 179.45 177.78 2our h LEU 687 N 1.11 0.00 -6.85 7.07 3.38 -1.56 -3.29 115.31 115.17 2our h LEU 687 Ca 0.26 0.00 -0.81 0.00 0.09 0.00 0.00 57.88 57.42 2our h LEU 687 Cb 0.18 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 40.65 2our h LEU 687 CO -0.03 0.41 0.83 0.41 0.09 0.00 0.00 178.44 180.15 2our n THR 688 N -3.40 5.40 -0.01 0.22 -1.04 -0.31 -4.55 114.28 110.59 2our n THR 688 Ca 0.01 -5.93 -0.01 0.00 -2.04 0.00 0.00 64.05 56.09 2our n THR 688 Cb 0.58 -2.03 -0.02 0.00 -1.82 0.00 0.00 70.33 67.03 2our n THR 688 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2our n ALA 689 N 1.24 1.99 1.53 2.41 0.00 -1.21 -4.61 120.51 121.85 2our n ALA 689 Ca 0.28 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2our n ALA 689 Cb 0.32 0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.87 2our n ALA 689 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2our n ASN 690 N -1.96 0.36 -0.01 0.00 3.02 -1.26 -3.85 115.26 111.56 2our n ASN 690 Ca -0.03 -1.89 -0.17 0.00 -0.03 0.00 0.00 54.58 52.46 2our n ASN 690 Cb 0.44 -0.18 -0.13 0.00 -0.61 0.00 0.00 39.78 39.30 2our n ASN 690 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 2our h ASP 691 N 0.02 0.29 -0.56 6.41 3.32 -1.94 -3.32 116.42 120.64 2our h ASP 691 Ca 0.00 -0.88 0.07 0.00 0.02 0.00 0.00 57.03 56.24 2our h ASP 691 Cb 0.18 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 2our h ASP 691 CO 0.00 1.14 0.37 0.40 -1.72 0.00 0.00 179.24 179.44 2our h ILE 692 N -0.52 0.96 -0.13 0.35 2.04 -1.92 0.13 117.51 118.42 2our h ILE 692 Ca -0.07 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.63 2our h ILE 692 Cb 1.25 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 37.78 2our h ILE 692 CO 0.08 0.09 0.00 -1.22 0.00 0.00 0.00 178.15 177.10 2our n TYR 693 N -4.47 0.27 -0.05 1.37 4.02 -1.25 -4.45 117.16 112.60 2our n TYR 693 Ca 0.08 -0.11 -0.13 0.00 -0.01 0.00 0.00 57.90 57.73 2our n TYR 693 Cb 0.28 -0.07 -0.09 0.00 -0.02 0.00 0.00 39.34 39.44 2our n TYR 693 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2our h ALA 694 N 2.89 -0.80 -0.18 -0.72 0.00 -1.07 0.33 119.26 119.72 2our h ALA 694 Ca 0.00 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 2our h ALA 694 Cb 0.43 1.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 2our h ALA 694 CO 0.04 -0.99 -0.52 0.93 0.00 0.00 0.00 179.25 178.71 2our h GLU 695 N -0.45 0.51 0.01 0.00 5.08 -1.83 -2.17 114.58 115.72 2our h GLU 695 Ca 0.04 -0.31 -0.00 0.00 -1.00 0.00 0.00 59.36 58.10 2our h GLU 695 Cb 0.57 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2our h GLU 695 CO -0.43 0.90 -0.00 0.74 -1.00 0.00 0.00 179.01 179.22 2our h PHE 696 N 0.39 -0.01 0.00 4.33 0.04 -1.79 -1.76 116.94 118.15 2our h PHE 696 Ca 0.01 -0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.70 2our h PHE 696 Cb 1.04 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.19 2our h PHE 696 CO 0.04 0.15 -0.38 -1.49 -0.60 0.00 0.00 178.31 176.03 2our h TRP 697 N -0.17 0.00 -0.37 -0.55 6.55 -0.98 -1.13 115.95 119.31 2our h TRP 697 Ca -0.00 0.00 -0.13 0.00 0.95 0.00 0.00 58.89 59.71 2our h TRP 697 Cb 0.16 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.45 2our h TRP 697 CO -0.02 0.38 -0.27 0.00 -1.05 0.00 0.00 178.44 177.48 2our h ALA 698 N 1.62 0.53 -0.45 1.49 0.00 -1.26 -0.07 119.26 121.12 2our h ALA 698 Ca -0.00 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.44 2our h ALA 698 Cb 0.81 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2our h ALA 698 CO 0.05 0.54 0.03 1.49 0.00 0.00 0.00 179.25 181.36 2our h GLU 699 N 0.63 0.77 -0.33 0.00 4.81 -1.05 -2.60 114.58 116.81 2our h GLU 699 Ca 0.07 -0.23 -0.03 0.00 -0.13 0.00 0.00 59.36 59.04 2our h GLU 699 Cb 0.85 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.13 2our h GLU 699 CO 0.07 0.82 0.07 0.78 -0.73 0.00 0.00 179.01 180.02 2our h GLY 700 N 0.62 0.52 1.82 1.92 0.00 -1.03 -1.91 103.07 105.02 2our h GLY 700 Ca 0.13 -0.27 -0.09 0.00 0.00 0.00 0.00 47.33 47.10 2our h GLY 700 CO 0.02 0.26 -0.35 -0.55 0.00 0.00 0.00 176.54 175.91 2our h ASP 701 N 0.48 0.21 -0.48 0.19 3.32 -0.67 -1.23 116.42 118.25 2our h ASP 701 Ca 0.11 -0.08 -0.12 0.00 0.02 0.00 0.00 57.03 56.96 2our h ASP 701 Cb 0.21 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 2our h ASP 701 CO -0.00 0.56 -0.17 -0.33 -1.72 0.00 0.00 179.24 177.58 2our h GLU 702 N 0.18 0.96 -0.73 3.56 5.08 -1.00 -2.69 114.58 119.95 2our h GLU 702 Ca 0.02 -0.39 -0.06 0.00 -1.00 0.00 0.00 59.36 57.93 2our h GLU 702 Cb 0.71 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.89 2our h GLU 702 CO 0.05 1.06 0.22 0.52 -1.00 0.00 0.00 179.01 179.86 2our h MET 703 N 0.81 1.14 -0.35 2.33 2.86 -1.00 -2.65 114.93 118.07 2our h MET 703 Ca 0.12 -0.25 -0.01 0.00 -2.06 0.00 0.00 59.70 57.49 2our h MET 703 Cb 0.74 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.22 2our h MET 703 CO 0.06 0.98 0.15 0.87 1.06 0.00 0.00 176.91 180.03 2our h LYS 704 N 1.10 0.48 0.00 1.72 1.57 -1.02 -0.77 116.57 119.65 2our h LYS 704 Ca 0.24 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 2our h LYS 704 Cb 0.32 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 2our h LYS 704 CO -0.01 0.39 -0.07 0.87 -0.57 0.00 0.00 179.45 180.06 2our h LYS 705 N 0.49 0.00 -0.30 3.15 1.57 -1.14 0.25 116.57 120.58 2our h LYS 705 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2our h LYS 705 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 2our h LYS 705 CO -0.02 0.07 0.00 1.28 -0.57 0.00 0.00 179.45 180.21 2our n LEU 706 N -3.60 2.02 0.00 2.94 4.77 -0.35 -4.89 117.00 117.89 2our n LEU 706 Ca -0.02 -0.93 0.00 0.00 -0.03 0.00 0.00 56.01 55.03 2our n LEU 706 Cb 0.18 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 2our n LEU 706 CO 0.28 0.47 0.00 0.61 -1.33 0.00 0.00 177.39 177.42 2our n GLY 707 N 1.16 0.63 3.82 -0.72 0.00 0.08 -5.05 105.19 105.11 2our n GLY 707 Ca 0.15 -0.04 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 2our n GLY 707 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2our s ILE 708 N -2.00 4.98 -0.57 -0.61 1.01 -0.89 -4.99 121.20 118.14 2our s ILE 708 Ca 0.00 0.92 -0.19 0.00 0.00 0.00 0.00 60.65 61.38 2our s ILE 708 Cb 0.00 -3.75 0.10 0.00 0.01 0.00 0.00 42.46 38.82 2our s ILE 708 CO 0.00 0.56 0.67 -1.58 0.00 0.00 0.00 174.94 174.59 2our s GLN 709 N -0.99 3.05 1.01 2.79 2.00 -1.26 -3.57 119.66 122.69 2our s GLN 709 Ca 0.25 -1.29 -0.12 0.00 -2.00 0.00 0.00 55.36 52.21 2our s GLN 709 Cb -0.17 -4.24 0.20 0.00 0.80 0.00 0.00 33.01 29.60 2our s GLN 709 CO 0.14 -1.47 1.08 -1.25 -0.50 0.00 0.00 175.29 173.30 2our s PRO 710 N 2.58 0.26 0.65 1.67 0.04 -1.26 -4.97 135.00 133.96 2our s PRO 710 Ca 0.11 1.09 -0.17 0.00 0.04 0.00 0.00 61.00 62.07 2our s PRO 710 Cb -0.24 -1.67 -0.01 0.00 0.04 0.00 0.00 34.50 32.62 2our s PRO 710 CO 0.07 -3.00 1.23 0.96 0.04 0.00 0.00 177.00 176.29 2our s ILE 711 N -2.64 2.41 0.29 0.56 -4.36 -1.26 -4.75 121.20 111.45 2our s ILE 711 Ca 0.67 0.23 -0.01 0.00 -0.26 0.00 0.00 60.65 61.28 2our s ILE 711 Cb -0.23 -2.99 0.39 0.00 1.25 0.00 0.00 42.46 40.88 2our s ILE 711 CO 0.60 -0.07 1.59 -0.65 0.24 0.00 0.00 174.94 176.65 2our h PRO 712 N 0.43 0.04 0.00 0.37 0.11 -1.94 -1.33 132.00 129.67 2our h PRO 712 Ca -0.50 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2our h PRO 712 Cb 1.31 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.41 2our h PRO 712 CO 0.53 0.02 0.00 0.00 -0.21 0.00 0.00 178.00 178.34 2our h MET 713 N 0.04 0.00 -0.21 1.05 -0.00 -1.93 -1.94 114.93 111.94 2our h MET 713 Ca 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.25 2our h MET 713 Cb 1.07 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.67 2our h MET 713 CO -0.87 0.00 0.00 -1.33 -0.00 0.00 0.00 176.91 174.71 2our n MET 714 N -2.77 1.96 -3.16 -0.10 2.81 -0.51 -4.56 117.12 110.78 2our n MET 714 Ca -0.01 -1.86 -0.44 0.00 -1.81 0.00 0.00 57.70 53.58 2our n MET 714 Cb 0.17 -1.38 -0.06 0.00 -0.71 0.00 0.00 33.22 31.23 2our n MET 714 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2our s ASP 715 N -1.34 6.23 0.60 7.83 -1.08 -0.73 -3.66 116.67 124.52 2our s ASP 715 Ca 0.27 -0.82 0.29 0.00 -0.52 0.00 0.00 52.55 51.77 2our s ASP 715 Cb 0.17 -2.29 1.59 0.00 -1.46 0.00 0.00 42.92 40.93 2our s ASP 715 CO 0.24 -0.86 1.99 -0.09 0.52 0.00 0.00 175.17 176.97 2our h ARG 716 N 8.96 0.00 0.00 4.34 2.43 -1.85 -0.78 114.38 127.48 2our h ARG 716 Ca -0.27 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 58.87 2our h ARG 716 Cb 1.10 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.64 2our h ARG 716 CO 0.94 0.00 -0.13 -0.44 -1.51 0.00 0.00 179.97 178.83 2our h ASP 717 N 0.00 0.00 -3.26 -3.80 5.19 -1.93 -3.42 116.42 109.20 2our h ASP 717 Ca 0.13 0.00 -0.68 0.00 -0.62 0.00 0.00 57.03 55.86 2our h ASP 717 Cb 0.81 0.00 -0.18 0.00 0.18 0.00 0.00 39.33 40.14 2our h ASP 717 CO -0.00 0.13 0.06 -0.54 -3.12 0.00 0.00 179.24 175.77 2our s LYS 718 N -3.33 3.13 0.00 3.56 1.02 -0.30 -4.88 119.74 118.95 2our s LYS 718 Ca 0.04 -0.85 0.02 0.00 0.02 0.00 0.00 55.97 55.20 2our s LYS 718 Cb 0.07 -4.09 0.03 0.00 -0.52 0.00 0.00 37.83 33.32 2our s LYS 718 CO 0.65 -1.22 0.74 1.63 -0.92 0.00 0.00 175.35 176.23 2our n LYS 719 N 6.21 0.68 0.31 1.68 5.02 -1.26 -4.69 118.16 126.10 2our n LYS 719 Ca -0.06 -0.98 0.20 0.00 -2.02 0.00 0.00 58.31 55.45 2our n LYS 719 Cb 0.46 -1.04 0.97 0.00 -0.02 0.00 0.00 35.03 35.40 2our n LYS 719 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2our h ASP 720 N 0.33 0.00 -0.46 4.39 3.32 -1.99 -2.28 116.42 119.73 2our h ASP 720 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2our h ASP 720 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 2our h ASP 720 CO 0.00 0.01 0.00 -0.62 -1.72 0.00 0.00 179.24 176.91 2our n GLU 721 N -3.14 2.74 -0.23 3.56 -0.58 -1.26 -4.59 120.64 117.14 2our n GLU 721 Ca -0.01 -2.23 -0.07 0.00 -0.42 0.00 0.00 57.16 54.43 2our n GLU 721 Cb 0.18 -1.37 0.03 0.00 -0.57 0.00 0.00 31.44 29.71 2our n GLU 721 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2our h VAL 722 N 2.83 1.24 -0.69 2.62 2.07 -1.72 -1.56 116.25 121.03 2our h VAL 722 Ca 0.00 -0.75 0.05 0.00 0.82 0.00 0.00 66.70 66.81 2our h VAL 722 Cb 0.81 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 31.08 2our h VAL 722 CO 0.00 0.29 0.41 -0.65 0.02 0.00 0.00 177.57 177.65 2our h PRO 723 N 0.89 0.75 -0.51 1.57 0.11 -1.81 0.12 132.00 133.12 2our h PRO 723 Ca 0.21 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 66.22 2our h PRO 723 Cb 0.22 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.14 2our h PRO 723 CO -0.02 0.50 0.08 1.96 -0.21 0.00 0.00 178.00 180.32 2our h GLN 724 N 0.78 0.80 -0.79 1.05 4.20 -1.84 -0.84 115.11 118.48 2our h GLN 724 Ca 0.30 -0.18 -0.05 0.00 0.06 0.00 0.00 58.65 58.78 2our h GLN 724 Cb 0.12 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 2our h GLN 724 CO -0.15 0.75 0.31 0.78 -0.67 0.00 0.00 178.83 179.85 2our h GLY 725 N 0.96 1.27 0.90 3.46 0.00 -0.17 -1.10 103.07 108.39 2our h GLY 725 Ca 0.16 -0.69 -0.00 0.00 0.00 0.00 0.00 47.33 46.79 2our h GLY 725 CO 0.01 0.65 -0.04 1.46 0.00 0.00 0.00 176.54 178.62 2our h GLN 726 N 1.15 -0.12 -1.00 4.80 1.08 -0.07 0.23 115.11 121.17 2our h GLN 726 Ca 0.26 0.01 0.07 0.00 -1.45 0.00 0.00 58.65 57.54 2our h GLN 726 Cb 0.22 0.03 -0.07 0.00 -0.05 0.00 0.00 27.48 27.61 2our h GLN 726 CO -0.02 0.01 0.65 1.25 -0.95 0.00 0.00 178.83 179.77 2our h LEU 727 N -0.22 1.02 -0.25 1.46 5.85 -0.96 0.29 115.31 122.50 2our h LEU 727 Ca -0.01 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.67 2our h LEU 727 Cb 0.18 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 2our h LEU 727 CO 0.02 0.64 -0.06 1.23 -0.34 0.00 0.00 178.44 179.93 2our h GLY 728 N 1.15 0.53 1.00 3.75 0.00 -0.89 -2.18 103.07 106.43 2our h GLY 728 Ca 0.44 -0.44 -0.03 0.00 0.00 0.00 0.00 47.33 47.31 2our h GLY 728 CO -0.18 0.40 0.31 -2.75 0.00 0.00 0.00 176.54 174.32 2our h PHE 729 N 0.23 0.96 -0.41 5.60 3.57 0.29 -0.51 116.94 126.67 2our h PHE 729 Ca 0.06 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 2our h PHE 729 Cb 0.53 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 2our h PHE 729 CO 0.05 0.72 0.20 1.88 -2.23 0.00 0.00 178.31 178.94 2our h TYR 730 N 0.92 0.59 -0.10 0.41 -1.99 -0.40 0.13 116.97 116.53 2our h TYR 730 Ca 0.23 -0.03 -0.18 0.00 2.00 0.00 0.00 58.73 60.75 2our h TYR 730 Cb 0.13 -0.18 -0.00 0.00 2.00 0.00 0.00 36.73 38.67 2our h TYR 730 CO 0.00 0.48 -0.71 -0.91 -0.00 0.00 0.00 178.16 177.03 2our h ASN 731 N 0.53 0.55 0.68 3.88 2.35 -1.22 0.28 115.58 122.63 2our h ASN 731 Ca 0.14 -0.35 -0.26 0.00 -0.55 0.00 0.00 56.30 55.28 2our h ASN 731 Cb 0.11 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.28 2our h ASN 731 CO -0.02 1.09 -1.40 0.00 -1.65 0.00 0.00 177.43 175.46 2our h ALA 732 N 0.90 0.50 0.00 -0.83 0.00 -1.05 -3.41 119.26 115.37 2our h ALA 732 Ca -0.03 -1.17 0.00 0.00 0.00 0.00 0.00 54.91 53.71 2our h ALA 732 Cb 1.28 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.27 2our h ALA 732 CO 0.13 1.36 0.00 0.28 0.00 0.00 0.00 179.25 181.02 2our n VAL 733 N -3.25 1.16 0.13 0.00 0.31 0.43 -4.78 118.33 112.33 2our n VAL 733 Ca -0.10 0.39 -0.14 0.00 -0.01 0.00 0.00 64.34 64.48 2our n VAL 733 Cb 1.01 -1.55 -0.08 0.00 -0.91 0.00 0.00 33.84 32.31 2our n VAL 733 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2our h ALA 734 N 0.00 -0.27 -0.36 3.52 0.00 -1.39 -2.44 119.26 118.32 2our h ALA 734 Ca 0.00 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.84 2our h ALA 734 Cb 0.00 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2our h ALA 734 CO 0.00 -0.60 0.16 0.82 0.00 0.00 0.00 179.25 179.63 2our h ILE 735 N -0.37 0.95 -1.00 0.00 1.08 -0.70 -1.18 117.51 116.29 2our h ILE 735 Ca -0.03 -0.11 0.01 0.00 -0.39 0.00 0.00 64.86 64.34 2our h ILE 735 Cb 0.29 0.58 -0.05 0.00 -3.07 0.00 0.00 36.82 34.57 2our h ILE 735 CO 0.05 0.06 0.66 -0.65 -0.69 0.00 0.00 178.15 177.58 2our h PRO 736 N 0.33 1.31 0.56 2.37 0.11 -1.77 0.63 132.00 135.54 2our h PRO 736 Ca 0.16 -0.08 -0.02 0.00 0.11 0.00 0.00 66.00 66.17 2our h PRO 736 Cb 0.10 -0.30 -0.00 0.00 0.11 0.00 0.00 31.00 30.91 2our h PRO 736 CO -0.13 0.87 -0.33 0.00 -0.21 0.00 0.00 178.00 178.19 2our h TYR 738 N -0.84 0.00 -0.02 0.00 -1.99 -1.10 -1.17 116.97 111.84 2our h TYR 738 Ca -0.07 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.66 2our h TYR 738 Cb 0.68 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.41 2our h TYR 738 CO -0.09 0.37 0.00 1.15 -0.00 0.00 0.00 178.16 179.59 2our h THR 739 N 0.00 1.24 -0.49 -2.88 2.02 -0.69 -0.05 112.91 112.06 2our h THR 739 Ca -0.00 -0.73 -0.09 0.00 0.77 0.00 0.00 66.41 66.36 2our h THR 739 Cb 0.71 1.69 -0.02 0.00 -1.74 0.00 0.00 68.15 68.79 2our h THR 739 CO 0.05 0.19 -0.05 0.74 0.37 0.00 0.00 175.52 176.82 2our h THR 740 N -0.26 1.25 -0.66 3.16 2.02 -1.19 -1.66 112.91 115.58 2our h THR 740 Ca 0.01 -1.11 -0.02 0.00 0.77 0.00 0.00 66.41 66.06 2our h THR 740 Cb 0.31 0.93 -0.03 0.00 -1.74 0.00 0.00 68.15 67.62 2our h THR 740 CO 0.00 0.39 0.35 0.25 0.37 0.00 0.00 175.52 176.88 2our h LEU 741 N 0.78 0.84 -1.18 2.58 5.85 -1.09 -2.38 115.31 120.70 2our h LEU 741 Ca 0.14 -0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.68 2our h LEU 741 Cb 0.54 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 2our h LEU 741 CO 0.03 0.70 -0.24 0.74 -0.34 0.00 0.00 178.44 179.33 2our h THR 742 N 0.90 1.24 -0.43 1.05 2.02 -0.65 0.28 112.91 117.32 2our h THR 742 Ca 0.23 -1.11 -0.05 0.00 0.77 0.00 0.00 66.41 66.25 2our h THR 742 Cb 0.07 1.40 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 2our h THR 742 CO -0.03 0.34 0.08 1.56 0.37 0.00 0.00 175.52 177.83 2our h GLN 743 N 0.24 0.71 0.13 6.66 4.20 -0.83 -2.52 115.11 123.70 2our h GLN 743 Ca 0.04 -0.19 -0.29 0.00 0.06 0.00 0.00 58.65 58.27 2our h GLN 743 Cb 0.57 -0.09 0.02 0.00 0.30 0.00 0.00 27.48 28.28 2our h GLN 743 CO 0.04 0.74 -1.25 0.82 -0.67 0.00 0.00 178.83 178.51 2our h ILE 744 N 0.57 1.36 -2.95 2.54 2.04 -1.19 -3.40 117.51 116.47 2our h ILE 744 Ca 0.13 -2.66 -0.61 0.00 1.00 0.00 0.00 64.86 62.72 2our h ILE 744 Cb 0.37 2.79 -0.40 0.00 -0.74 0.00 0.00 36.82 38.83 2our h ILE 744 CO 0.01 0.80 -0.71 -0.76 0.00 0.00 0.00 178.15 177.48 2our s LEU 745 N -7.61 3.39 0.38 1.44 1.43 0.98 -5.00 118.68 113.69 2our s LEU 745 Ca -0.07 -3.19 0.18 0.00 -1.03 0.00 0.00 54.13 50.02 2our s LEU 745 Cb 0.06 -1.21 1.12 0.00 0.03 0.00 0.00 46.19 46.20 2our s LEU 745 CO 0.91 -0.18 1.71 -0.65 0.23 0.00 0.00 176.35 178.37 2our h PRO 746 N 6.03 0.34 0.00 1.29 0.11 -1.67 -0.64 132.00 137.46 2our h PRO 746 Ca 0.09 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.18 2our h PRO 746 Cb 0.86 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.89 2our h PRO 746 CO 0.57 0.23 0.00 -2.30 -0.21 0.00 0.00 178.00 176.29 2our n PRO 747 N -4.78 0.08 -0.07 1.05 -0.02 -1.26 -1.67 135.00 128.33 2our n PRO 747 Ca 0.29 0.48 0.07 0.00 -2.02 0.00 0.00 63.50 62.33 2our n PRO 747 Cb 0.99 -1.72 0.32 0.00 -0.02 0.00 0.00 33.50 33.06 2our n PRO 747 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2our n THR 748 N -1.89 0.17 -0.34 3.45 -2.24 -0.25 -4.29 114.28 108.89 2our n THR 748 Ca 0.01 -0.22 0.20 0.00 -2.27 0.00 0.00 64.05 61.77 2our n THR 748 Cb 0.09 0.10 0.42 0.00 -2.10 0.00 0.00 70.33 68.84 2our n THR 748 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2our h GLU 749 N 1.20 0.48 -0.56 -0.78 4.57 -1.50 -1.18 114.58 116.81 2our h GLU 749 Ca 0.00 -0.03 0.15 0.00 -1.18 0.00 0.00 59.36 58.30 2our h GLU 749 Cb 0.27 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.72 2our h GLU 749 CO 0.00 0.32 0.40 -1.35 -1.18 0.00 0.00 179.01 177.20 2our h PRO 750 N 0.50 0.05 -0.30 0.92 0.11 -1.87 -0.93 132.00 130.49 2our h PRO 750 Ca 0.66 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.72 2our h PRO 750 Cb 1.38 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.47 2our h PRO 750 CO -0.49 0.03 -0.04 -0.07 -0.21 0.00 0.00 178.00 177.23 2our h LEU 751 N 0.05 0.54 -0.57 2.35 3.38 -1.56 -1.29 115.31 118.22 2our h LEU 751 Ca 0.27 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 2our h LEU 751 Cb 0.99 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 2our h LEU 751 CO -0.02 0.75 0.20 0.25 0.09 0.00 0.00 178.44 179.72 2our h LEU 752 N 0.32 0.81 -0.32 1.67 5.85 -1.33 -0.54 115.31 121.77 2our h LEU 752 Ca 0.08 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.61 2our h LEU 752 Cb 0.50 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 2our h LEU 752 CO 0.02 0.78 0.21 0.50 -0.34 0.00 0.00 178.44 179.61 2our h LYS 753 N 0.79 0.43 -0.57 1.25 3.64 -1.12 -0.46 116.57 120.52 2our h LYS 753 Ca 0.19 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.47 2our h LYS 753 Cb 0.24 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 2our h LYS 753 CO -0.01 0.29 0.08 0.00 -2.27 0.00 0.00 179.45 177.54 2our h ALA 754 N 1.11 1.05 -0.34 5.00 0.00 -1.07 0.40 119.26 125.42 2our h ALA 754 Ca 0.12 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2our h ALA 754 Cb -0.04 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 2our h ALA 754 CO -0.02 0.61 0.16 0.00 0.00 0.00 0.00 179.25 179.99 2our h ARG 756 N 0.41 1.16 -0.48 0.00 3.08 -0.75 -0.05 114.38 117.75 2our h ARG 756 Ca 0.12 -0.25 0.01 0.00 0.07 0.00 0.00 59.98 59.93 2our h ARG 756 Cb 0.13 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 2our h ARG 756 CO -0.01 0.98 0.31 -0.44 -1.07 0.00 0.00 179.97 179.74 2our h ASP 757 N 1.11 0.52 0.10 7.04 3.32 -0.55 -1.75 116.42 126.21 2our h ASP 757 Ca 0.24 -0.01 -0.12 0.00 0.02 0.00 0.00 57.03 57.16 2our h ASP 757 Cb 0.31 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 2our h ASP 757 CO -0.01 0.38 -0.41 0.78 -1.72 0.00 0.00 179.24 178.26 2our h ASN 758 N 0.63 0.41 -0.57 6.45 2.35 -0.87 -2.61 115.58 121.37 2our h ASN 758 Ca 0.18 -0.18 0.02 0.00 -0.55 0.00 0.00 56.30 55.77 2our h ASN 758 Cb -0.05 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.17 2our h ASN 758 CO -0.05 0.78 0.36 0.25 -1.65 0.00 0.00 177.43 177.12 2our h LEU 759 N 0.33 0.61 -1.48 1.61 6.46 -0.54 0.39 115.31 122.69 2our h LEU 759 Ca 0.03 -0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.76 2our h LEU 759 Cb 0.86 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.63 2our h LEU 759 CO 0.07 0.43 0.12 -1.28 -0.62 0.00 0.00 178.44 177.16 2our h SER 760 N 0.73 0.42 -0.26 1.25 0.87 -1.12 -1.41 113.55 114.03 2our h SER 760 Ca 0.22 -0.04 -0.11 0.00 -1.23 0.00 0.00 61.79 60.63 2our h SER 760 Cb -0.03 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 61.82 2our h SER 760 CO -0.07 0.40 -0.27 1.56 -0.53 0.00 0.00 176.83 177.92 2our h GLN 761 N 0.47 0.63 -0.52 2.24 1.08 -0.83 -2.28 115.11 115.90 2our h GLN 761 Ca 0.12 -0.34 -0.03 0.00 -1.45 0.00 0.00 58.65 56.95 2our h GLN 761 Cb 0.12 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.53 2our h GLN 761 CO -0.01 0.94 0.19 -1.49 -0.95 0.00 0.00 178.83 177.51 2our h TRP 762 N 0.35 0.75 -0.41 2.96 4.06 -0.50 -1.28 115.95 121.88 2our h TRP 762 Ca 0.04 -0.04 -0.03 0.00 2.06 0.00 0.00 58.89 60.92 2our h TRP 762 Cb 0.83 -0.23 -0.02 0.00 -1.00 0.00 0.00 29.16 28.74 2our h TRP 762 CO 0.08 0.60 0.15 1.49 -3.56 0.00 0.00 178.44 177.19 2our h GLU 763 N 0.74 0.62 -0.25 0.49 4.81 -1.14 -1.58 114.58 118.27 2our h GLU 763 Ca 0.18 -0.12 -0.04 0.00 -0.13 0.00 0.00 59.36 59.25 2our h GLU 763 Cb 0.17 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 2our h GLU 763 CO -0.01 0.59 -0.01 0.87 -0.73 0.00 0.00 179.01 179.72 2our h LYS 764 N 0.51 0.37 -0.44 1.92 1.57 -0.81 -1.17 116.57 118.52 2our h LYS 764 Ca 0.13 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 58.74 2our h LYS 764 Cb 0.22 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 2our h LYS 764 CO -0.01 0.42 -0.13 0.28 -0.57 0.00 0.00 179.45 179.44 2our h VAL 765 N 0.36 1.27 -0.53 0.50 2.07 -0.84 0.49 116.25 119.59 2our h VAL 765 Ca 0.08 -1.25 -0.06 0.00 0.82 0.00 0.00 66.70 66.30 2our h VAL 765 Cb 0.27 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 2our h VAL 765 CO 0.01 0.42 0.10 0.40 0.02 0.00 0.00 177.57 178.52 2our h ILE 766 N 0.68 1.23 -0.11 4.57 2.04 -0.69 -1.74 117.51 123.49 2our h ILE 766 Ca 0.11 -0.87 0.00 0.00 1.00 0.00 0.00 64.86 65.10 2our h ILE 766 Cb 0.67 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 37.47 2our h ILE 766 CO 0.05 0.32 0.00 0.54 0.00 0.00 0.00 178.15 179.06 2our n ARG 767 N -4.26 1.35 -2.24 2.37 1.74 -0.50 -4.87 116.66 110.26 2our n ARG 767 Ca 0.04 -0.42 -0.17 0.00 -0.77 0.00 0.00 57.85 56.52 2our n ARG 767 Cb 0.25 -1.23 -0.02 0.00 -1.02 0.00 0.00 32.46 30.44 2our n ARG 767 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2our n GLY 768 N 0.52 -0.13 4.02 -0.13 0.00 -0.66 -5.01 105.19 103.81 2our n GLY 768 Ca 0.04 -0.16 -0.18 0.00 0.00 0.00 0.00 46.02 45.72 2our n GLY 768 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2our s GLU 769 N -4.71 2.64 0.02 1.61 2.02 0.17 -4.97 118.70 115.47 2our s GLU 769 Ca 0.00 -1.38 0.00 0.00 0.02 0.00 0.00 54.97 53.61 2our s GLU 769 Cb 0.00 -2.72 0.00 0.00 0.10 0.00 0.00 34.13 31.51 2our s GLU 769 CO 0.00 -0.48 0.00 0.39 0.02 0.00 0.00 175.26 175.19 2our n GLU 770 N -1.99 -2.80 0.00 1.61 1.02 -1.26 -4.42 120.64 112.80 2our n GLU 770 Ca 0.11 2.26 0.00 0.00 -0.02 0.00 0.00 57.16 59.51 2our n GLU 770 Cb 0.60 -2.73 0.00 0.00 -0.02 0.00 0.00 31.44 29.29 2our n GLU 770 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2our n THR 771 N 0.98 0.00 -0.67 2.62 -1.04 -1.26 -4.20 114.28 110.71 2our n THR 771 Ca 0.00 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.97 2our n THR 771 Cb 0.00 -0.60 -0.06 0.00 -1.82 0.00 0.00 70.33 67.85 2our n THR 771 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2our n ALA 772 N -3.00 4.81 0.32 2.41 0.00 -1.26 -3.46 120.51 120.34 2our n ALA 772 Ca 0.00 -0.69 0.07 0.00 0.00 0.00 0.00 53.44 52.82 2our n ALA 772 Cb 0.00 -1.53 -0.10 0.00 0.00 0.00 0.00 19.45 17.83 2our n ALA 772 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2our n THR 773 N 1.90 0.00 -0.04 0.00 -1.04 -1.26 -4.67 114.28 109.17 2our n THR 773 Ca 0.16 -0.25 -0.06 0.00 -2.04 0.00 0.00 64.05 61.86 2our n THR 773 Cb 0.64 0.58 -0.04 0.00 -1.82 0.00 0.00 70.33 69.70 2our n THR 773 CO 0.00 0.00 0.00 1.87 -0.64 0.00 0.00 175.07 176.30 2our n TRP 774 N -1.67 0.00 -2.13 -1.42 -0.00 -1.22 -4.92 117.44 106.08 2our n TRP 774 Ca -0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.50 57.08 2our n TRP 774 Cb 0.30 -0.31 -0.03 0.00 -0.00 0.00 0.00 31.31 31.27 2our n TRP 774 CO 0.00 0.00 0.00 0.96 -0.00 0.00 0.00 177.69 178.65 2our s ILE 775 N -2.16 3.17 0.00 5.87 -4.36 -1.26 -5.00 121.20 117.46 2our s ILE 775 Ca -0.11 0.84 0.00 0.00 -0.26 0.00 0.00 60.65 61.12 2our s ILE 775 Cb 0.03 -3.54 0.00 0.00 1.25 0.00 0.00 42.46 40.20 2our s ILE 775 CO 0.18 0.07 0.00 -1.54 0.24 0.00 0.00 174.94 173.89