#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oup s MET 448 N 0.00 3.97 0.43 -1.40 1.00 -1.26 -5.07 119.30 116.97 2oup s MET 448 Ca 0.00 0.46 -0.19 0.00 0.00 0.00 0.00 55.69 55.96 2oup s MET 448 Cb 0.00 -3.09 -0.10 0.00 0.00 0.00 0.00 34.83 31.64 2oup s MET 448 CO 0.00 0.59 0.92 -1.12 0.00 0.00 0.00 175.02 175.41 2oup s SER 449 N -1.41 6.85 -0.05 3.03 0.01 -1.26 -5.06 113.70 115.81 2oup s SER 449 Ca 0.31 1.60 0.05 0.00 1.31 0.00 0.00 55.95 59.21 2oup s SER 449 Cb -0.16 -2.51 -0.00 0.00 0.21 0.00 0.00 66.02 63.56 2oup s SER 449 CO 0.17 -0.38 -0.19 -0.63 0.41 0.00 0.00 173.24 172.62 2oup s ILE 450 N -2.24 1.54 1.00 1.44 1.01 -1.26 -4.80 121.20 117.90 2oup s ILE 450 Ca 0.60 -0.78 -0.11 0.00 0.00 0.00 0.00 60.65 60.36 2oup s ILE 450 Cb -0.09 -1.32 0.19 0.00 0.01 0.00 0.00 42.46 41.25 2oup s ILE 450 CO 0.17 0.44 1.09 0.00 0.00 0.00 0.00 174.94 176.64 2oup s THR 452 N -2.66 4.18 0.21 0.00 -4.23 -1.26 -4.98 115.64 106.91 2oup s THR 452 Ca 0.66 -0.54 -0.08 0.00 -1.18 0.00 0.00 61.69 60.56 2oup s THR 452 Cb -0.22 -3.53 0.15 0.00 1.34 0.00 0.00 72.50 70.24 2oup s THR 452 CO 0.60 -0.36 1.78 0.77 -0.54 0.00 0.00 174.62 176.87 2oup h SER 453 N 0.50 1.07 -0.82 3.99 4.64 -2.00 -1.74 113.55 119.20 2oup h SER 453 Ca -0.47 -0.17 0.04 0.00 -0.47 0.00 0.00 61.79 60.73 2oup h SER 453 Cb 1.25 -0.28 -0.05 0.00 -0.31 0.00 0.00 62.40 63.01 2oup h SER 453 CO 0.57 0.95 0.54 -0.33 -0.87 0.00 0.00 176.83 177.69 2oup h GLU 454 N 1.13 0.95 0.10 4.77 5.08 -1.98 -0.54 114.58 124.09 2oup h GLU 454 Ca 0.26 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.56 2oup h GLU 454 Cb 0.20 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2oup h GLU 454 CO -0.02 0.63 -0.05 0.93 -1.00 0.00 0.00 179.01 179.50 2oup h GLU 455 N 0.98 -0.13 0.00 2.33 5.08 -1.72 -1.81 114.58 119.32 2oup h GLU 455 Ca 0.33 0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.59 2oup h GLU 455 Cb 0.09 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 2oup h GLU 455 CO -0.11 0.23 -0.53 0.11 -1.00 0.00 0.00 179.01 177.71 2oup h TRP 456 N -0.50 0.00 -0.12 4.33 5.08 -1.31 -2.66 115.95 120.76 2oup h TRP 456 Ca -0.01 0.00 -0.16 0.00 1.08 0.00 0.00 58.89 59.79 2oup h TRP 456 Cb 0.41 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.57 2oup h TRP 456 CO 0.04 0.53 -0.61 1.96 -1.28 0.00 0.00 178.44 179.08 2oup h GLN 457 N 0.00 0.42 -0.66 0.12 4.20 -1.14 -2.04 115.11 116.01 2oup h GLN 457 Ca -0.01 -0.29 -0.06 0.00 0.06 0.00 0.00 58.65 58.35 2oup h GLN 457 Cb 1.17 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.97 2oup h GLN 457 CO 0.07 0.90 0.16 0.78 -0.67 0.00 0.00 178.83 180.08 2oup h GLY 458 N 1.24 1.11 1.06 3.46 0.00 -1.20 -2.72 103.07 106.02 2oup h GLY 458 Ca -0.01 -0.67 -0.10 0.00 0.00 0.00 0.00 47.33 46.55 2oup h GLY 458 CO 0.11 0.63 -0.02 -2.00 0.00 0.00 0.00 176.54 175.25 2oup h LEU 459 N 0.99 0.99 -1.71 3.11 5.85 -1.26 -2.48 115.31 120.80 2oup h LEU 459 Ca 0.21 -0.32 0.08 0.00 0.84 0.00 0.00 57.88 58.70 2oup h LEU 459 Cb 0.34 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 2oup h LEU 459 CO -0.00 1.07 0.35 0.24 -0.34 0.00 0.00 178.44 179.75 2oup h MET 460 N 0.89 0.33 0.00 1.25 2.86 -1.06 -1.93 114.93 117.27 2oup h MET 460 Ca 0.16 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 2oup h MET 460 Cb 0.57 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.16 2oup h MET 460 CO 0.03 0.22 -0.71 1.04 1.06 0.00 0.00 176.91 178.55 2oup n GLN 461 N -4.47 0.14 -1.73 1.72 6.02 -1.10 -4.95 117.38 113.02 2oup n GLN 461 Ca 0.08 0.02 -0.42 0.00 -0.01 0.00 0.00 57.00 56.66 2oup n GLN 461 Cb 0.34 -1.57 -0.01 0.00 1.02 0.00 0.00 30.24 30.02 2oup n GLN 461 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2oup n PHE 462 N -1.76 2.60 -4.75 1.08 7.35 -0.73 -5.00 117.46 116.26 2oup n PHE 462 Ca 0.04 0.47 -0.27 0.00 -0.76 0.00 0.00 57.45 56.92 2oup n PHE 462 Cb 0.38 -2.48 -0.17 0.00 0.35 0.00 0.00 39.48 37.56 2oup n PHE 462 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 2oup s THR 463 N -0.88 1.44 -0.20 -2.13 2.01 -1.26 -5.05 115.64 109.57 2oup s THR 463 Ca 0.57 -0.65 -0.29 0.00 0.31 0.00 0.00 61.69 61.63 2oup s THR 463 Cb -0.53 -1.29 0.00 0.00 0.01 0.00 0.00 72.50 70.69 2oup s THR 463 CO 0.60 0.42 1.04 -0.22 -0.69 0.00 0.00 174.62 175.78 2oup s LEU 464 N 0.62 4.14 0.13 4.42 2.96 -1.26 -4.98 118.68 124.71 2oup s LEU 464 Ca -0.15 1.43 -0.34 0.00 -0.22 0.00 0.00 54.13 54.85 2oup s LEU 464 Cb -0.16 -3.54 -0.16 0.00 0.50 0.00 0.00 46.19 42.82 2oup s LEU 464 CO 0.05 -0.62 1.17 -2.65 -1.32 0.00 0.00 176.35 172.97 2oup n PRO 465 N 6.02 0.98 -0.35 0.98 -0.02 -1.26 -4.84 135.00 136.51 2oup n PRO 465 Ca 0.11 0.35 0.15 0.00 -2.02 0.00 0.00 63.50 62.09 2oup n PRO 465 Cb 0.47 -1.86 0.35 0.00 -0.02 0.00 0.00 33.50 32.43 2oup n PRO 465 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2oup h VAL 466 N 2.80 0.66 -0.33 -1.45 2.07 -2.03 -2.20 116.25 115.76 2oup h VAL 466 Ca -0.45 -0.24 0.04 0.00 0.82 0.00 0.00 66.70 66.87 2oup h VAL 466 Cb 1.36 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 2oup h VAL 466 CO 0.71 0.13 0.23 0.08 0.02 0.00 0.00 177.57 178.73 2oup h ARG 467 N 0.70 0.30 0.00 1.57 0.11 -2.04 -2.51 114.38 112.51 2oup h ARG 467 Ca 0.59 -0.02 -0.04 0.00 0.10 0.00 0.00 59.98 60.61 2oup h ARG 467 Cb 1.01 -0.07 -0.01 0.00 1.11 0.00 0.00 29.97 32.02 2oup h ARG 467 CO -0.40 0.20 -0.20 -0.07 0.10 0.00 0.00 179.97 179.60 2oup h LEU 468 N 0.31 0.00 -0.96 0.08 3.38 -1.75 -3.29 115.31 113.07 2oup h LEU 468 Ca 0.14 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.26 2oup h LEU 468 Cb 0.17 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.83 2oup h LEU 468 CO -0.03 0.20 0.58 0.00 0.09 0.00 0.00 178.44 179.28 2oup h LYS 470 N 0.82 0.62 -0.34 0.00 3.64 -1.73 -3.32 116.57 116.27 2oup h LYS 470 Ca 0.52 -0.51 -0.16 0.00 -1.27 0.00 0.00 60.65 59.23 2oup h LYS 470 Cb 0.68 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.60 2oup h LYS 470 CO -0.33 1.13 -0.41 0.93 -2.27 0.00 0.00 179.45 178.50 2oup h GLU 471 N 0.42 0.84 0.00 1.90 5.08 -1.43 -3.21 114.58 118.18 2oup h GLU 471 Ca -0.05 -0.45 -0.00 0.00 -1.00 0.00 0.00 59.36 57.86 2oup h GLU 471 Cb 1.37 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.64 2oup h GLU 471 CO 0.15 1.09 -0.01 0.82 -1.00 0.00 0.00 179.01 180.06 2oup h ILE 472 N 0.68 0.16 0.00 3.13 2.04 -1.16 -1.80 117.51 120.56 2oup h ILE 472 Ca 0.05 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.86 2oup h ILE 472 Cb 0.99 1.04 0.00 0.00 -0.74 0.00 0.00 36.82 38.11 2oup h ILE 472 CO 0.09 0.01 0.00 -0.33 0.00 0.00 0.00 178.15 177.92 2oup h GLU 473 N 0.00 0.00 -6.65 2.37 4.39 -1.69 -3.46 114.58 109.54 2oup h GLU 473 Ca -0.00 0.00 -0.51 0.00 0.34 0.00 0.00 59.36 59.19 2oup h GLU 473 Cb 0.04 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.67 2oup h GLU 473 CO 0.00 0.00 0.21 -0.51 -1.16 0.00 0.00 179.01 177.56 2oup s LEU 474 N -5.34 4.46 0.23 1.33 1.43 -0.68 -4.84 118.68 115.27 2oup s LEU 474 Ca 0.06 1.65 -0.07 0.00 -1.03 0.00 0.00 54.13 54.74 2oup s LEU 474 Cb 0.09 -3.59 0.26 0.00 0.03 0.00 0.00 46.19 42.97 2oup s LEU 474 CO 0.57 0.08 1.88 -0.26 0.23 0.00 0.00 176.35 178.85 2oup h PHE 475 N 3.74 1.05 -0.02 0.29 -1.00 -1.88 -2.75 116.94 116.37 2oup h PHE 475 Ca -0.47 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.34 2oup h PHE 475 Cb 1.20 -0.35 0.00 0.00 3.61 0.00 0.00 35.95 40.41 2oup h PHE 475 CO 0.63 0.61 0.00 -2.39 -1.61 0.00 0.00 178.31 175.55 2oup n HIS 476 N -4.54 0.02 -1.65 -0.55 1.44 -1.26 -4.90 115.22 103.78 2oup n HIS 476 Ca 0.11 -0.01 -0.46 0.00 -2.01 0.00 0.00 57.72 55.35 2oup n HIS 476 Cb 0.08 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.16 2oup n HIS 476 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 2oup n PHE 477 N -0.67 2.00 -3.90 -1.40 7.35 -1.04 -4.66 117.46 115.14 2oup n PHE 477 Ca 0.18 0.47 -0.35 0.00 -0.76 0.00 0.00 57.45 56.99 2oup n PHE 477 Cb 0.13 -2.43 -0.14 0.00 0.35 0.00 0.00 39.48 37.39 2oup n PHE 477 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2oup s ASP 478 N 0.28 4.50 0.19 -2.13 3.68 -1.26 -4.98 116.67 116.94 2oup s ASP 478 Ca 0.70 -0.75 0.23 0.00 2.13 0.00 0.00 52.55 54.86 2oup s ASP 478 Cb -0.69 -1.73 0.90 0.00 -1.45 0.00 0.00 42.92 39.95 2oup s ASP 478 CO 0.49 -0.12 1.69 2.30 0.13 0.00 0.00 175.17 179.66 2oup n ILE 479 N 4.74 0.78 -0.32 4.11 -5.35 -1.26 -4.30 119.36 117.75 2oup n ILE 479 Ca -0.16 0.13 0.01 0.00 -0.27 0.00 0.00 62.75 62.46 2oup n ILE 479 Cb 0.48 -1.00 0.06 0.00 -1.74 0.00 0.00 39.64 37.44 2oup n ILE 479 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2oup n GLY 480 N 0.29 -1.66 0.28 3.28 0.00 -1.26 -1.26 105.19 104.87 2oup n GLY 480 Ca 0.03 0.95 0.00 0.00 0.00 0.00 0.00 46.02 47.00 2oup n GLY 480 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2oup n PRO 481 N -5.31 1.09 -2.46 1.61 -0.04 -1.26 -3.94 135.00 124.69 2oup n PRO 481 Ca 0.10 -0.10 -0.13 0.00 -0.04 0.00 0.00 63.50 63.34 2oup n PRO 481 Cb 0.37 -1.26 0.03 0.00 -0.04 0.00 0.00 33.50 32.61 2oup n PRO 481 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2oup n PHE 482 N -0.22 2.05 -0.27 0.54 3.01 -0.39 -4.95 117.46 117.24 2oup n PHE 482 Ca 0.01 -2.33 0.09 0.00 1.01 0.00 0.00 57.45 56.23 2oup n PHE 482 Cb 0.14 -0.27 0.23 0.00 -0.01 0.00 0.00 39.48 39.57 2oup n PHE 482 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 2oup h GLU 483 N 2.47 0.25 0.00 -1.08 4.81 -1.73 0.93 114.58 120.23 2oup h GLU 483 Ca 0.11 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 2oup h GLU 483 Cb 1.34 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.66 2oup h GLU 483 CO 0.51 0.16 -0.01 -2.95 -0.73 0.00 0.00 179.01 175.99 2oup h ASN 484 N 0.25 0.00 0.11 1.04 7.08 -1.95 -2.34 115.58 119.77 2oup h ASN 484 Ca 0.48 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.70 2oup h ASN 484 Cb 0.88 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.12 2oup h ASN 484 CO -0.57 0.01 -0.29 0.23 -2.08 0.00 0.00 177.43 174.73 2oup n MET 485 N -3.24 1.15 -0.11 4.14 2.81 0.31 -4.59 117.12 117.58 2oup n MET 485 Ca -0.02 -0.81 -0.05 0.00 -1.81 0.00 0.00 57.70 55.01 2oup n MET 485 Cb 0.12 -1.48 0.02 0.00 -0.71 0.00 0.00 33.22 31.16 2oup n MET 485 CO 0.00 0.00 0.00 -1.49 1.51 0.00 0.00 175.97 175.99 2oup h TRP 486 N 1.97 -0.08 -0.90 2.03 6.55 -1.35 0.23 115.95 124.40 2oup h TRP 486 Ca 0.00 0.03 0.01 0.00 0.95 0.00 0.00 58.89 59.88 2oup h TRP 486 Cb 0.62 0.09 -0.04 0.00 -0.86 0.00 0.00 29.16 28.97 2oup h TRP 486 CO 0.00 -0.10 0.59 -1.35 -1.05 0.00 0.00 178.44 176.52 2oup h PRO 487 N 0.07 1.20 -0.36 0.49 0.11 -1.83 -1.99 132.00 129.70 2oup h PRO 487 Ca 0.19 -0.08 -0.07 0.00 0.11 0.00 0.00 66.00 66.15 2oup h PRO 487 Cb 0.27 -0.27 -0.02 0.00 0.11 0.00 0.00 31.00 31.10 2oup h PRO 487 CO -0.34 0.81 -0.07 0.78 -0.21 0.00 0.00 178.00 178.97 2oup h GLY 488 N 1.23 0.64 1.26 -0.55 0.00 -1.62 -1.75 103.07 102.27 2oup h GLY 488 Ca 0.33 -0.42 -0.07 0.00 0.00 0.00 0.00 47.33 47.16 2oup h GLY 488 CO -0.07 0.39 0.06 -2.22 0.00 0.00 0.00 176.54 174.70 2oup h ILE 489 N 0.55 1.25 -0.33 2.60 2.04 0.04 -0.49 117.51 123.16 2oup h ILE 489 Ca 0.11 -0.99 -0.08 0.00 1.00 0.00 0.00 64.86 64.90 2oup h ILE 489 Cb 0.45 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 2oup h ILE 489 CO 0.02 0.36 -0.10 0.15 0.00 0.00 0.00 178.15 178.59 2oup h PHE 490 N 0.85 0.74 -0.63 1.37 3.57 -0.84 -1.34 116.94 120.66 2oup h PHE 490 Ca 0.17 -0.16 0.05 0.00 3.53 0.00 0.00 57.97 61.56 2oup h PHE 490 Cb 0.43 -0.18 -0.05 0.00 2.79 0.00 0.00 35.95 38.94 2oup h PHE 490 CO 0.03 0.83 0.35 0.28 -2.23 0.00 0.00 178.31 177.57 2oup h VAL 491 N 0.43 0.99 -0.32 1.41 2.07 -1.05 -0.85 116.25 118.92 2oup h VAL 491 Ca 0.08 -0.23 0.02 0.00 0.82 0.00 0.00 66.70 67.39 2oup h VAL 491 Cb 0.60 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 2oup h VAL 491 CO 0.04 0.12 0.17 0.22 0.02 0.00 0.00 177.57 178.13 2oup h TYR 492 N 0.66 0.31 -0.64 1.57 3.20 -0.83 -0.44 116.97 120.80 2oup h TYR 492 Ca 0.28 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.12 2oup h TYR 492 Cb 0.15 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.30 2oup h TYR 492 CO -0.08 0.17 0.25 0.52 -1.64 0.00 0.00 178.16 177.38 2oup h MET 493 N 0.34 0.96 -0.40 1.82 2.86 -0.74 -0.55 114.93 119.23 2oup h MET 493 Ca 0.13 -0.18 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 2oup h MET 493 Cb 0.04 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.53 2oup h MET 493 CO -0.09 0.82 0.20 0.28 1.06 0.00 0.00 176.91 179.18 2oup h VAL 494 N 0.90 1.17 -0.80 -2.22 2.07 -0.89 -0.47 116.25 116.01 2oup h VAL 494 Ca 0.21 -0.48 -0.03 0.00 0.82 0.00 0.00 66.70 67.22 2oup h VAL 494 Cb 0.22 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 2oup h VAL 494 CO -0.02 0.18 0.38 0.45 0.02 0.00 0.00 177.57 178.59 2oup h HIS 495 N 0.51 1.17 -0.24 1.57 -0.00 -0.77 0.28 115.15 117.68 2oup h HIS 495 Ca 0.14 -0.06 -0.17 0.00 -0.00 0.00 0.00 60.37 60.27 2oup h HIS 495 Cb 0.11 -0.36 -0.00 0.00 -0.00 0.00 0.00 27.41 27.16 2oup h HIS 495 CO -0.01 0.86 -0.55 0.00 -0.00 0.00 0.00 177.93 178.22 2oup h ARG 496 N 1.14 0.72 0.21 2.45 2.47 -0.89 0.16 114.38 120.64 2oup h ARG 496 Ca 0.27 -0.46 -0.33 0.00 -1.26 0.00 0.00 59.98 58.20 2oup h ARG 496 Cb 0.13 0.05 0.02 0.00 -1.65 0.00 0.00 29.97 28.53 2oup h ARG 496 CO -0.03 1.08 -1.55 1.03 0.56 0.00 0.00 179.97 181.06 2oup h SER 497 N 0.55 0.69 0.00 7.04 0.87 -0.97 -3.40 113.55 118.34 2oup h SER 497 Ca 0.01 -0.93 0.00 0.00 -1.23 0.00 0.00 61.79 59.64 2oup h SER 497 Cb 1.13 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.87 2oup h SER 497 CO 0.11 1.72 -1.49 0.00 -0.53 0.00 0.00 176.83 176.65 2oup n GLY 499 N 1.57 2.68 0.24 0.00 0.00 0.55 -4.46 105.19 105.77 2oup n GLY 499 Ca -0.02 -1.64 0.17 0.00 0.00 0.00 0.00 46.02 44.53 2oup n GLY 499 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2oup h THR 500 N 0.00 0.00 -0.22 2.61 1.35 -1.86 -2.58 112.91 112.20 2oup h THR 500 Ca 0.00 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 2oup h THR 500 Cb 0.00 0.96 0.00 0.00 -1.73 0.00 0.00 68.15 67.38 2oup h THR 500 CO 0.00 0.00 0.00 -0.24 -0.25 0.00 0.00 175.52 175.03 2oup n SER 501 N -2.72 2.57 -0.31 5.36 2.88 -1.26 -4.62 113.62 115.52 2oup n SER 501 Ca -0.01 -1.96 0.01 0.00 -1.33 0.00 0.00 58.87 55.59 2oup n SER 501 Cb 0.14 -0.15 0.20 0.00 -0.75 0.00 0.00 64.21 63.64 2oup n SER 501 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2oup s PHE 503 N -5.97 1.65 -0.06 0.00 0.08 -1.26 -5.06 117.98 107.37 2oup s PHE 503 Ca -0.12 -0.46 -0.30 0.00 0.12 0.00 0.00 56.93 56.18 2oup s PHE 503 Cb 0.19 -0.88 -0.05 0.00 -0.57 0.00 0.00 43.02 41.71 2oup s PHE 503 CO 0.80 0.20 1.48 -1.21 -0.10 0.00 0.00 175.22 176.40 2oup s GLU 504 N -2.22 4.23 0.24 0.44 2.02 -1.26 -4.89 118.70 117.25 2oup s GLU 504 Ca 0.08 2.00 -0.06 0.00 0.02 0.00 0.00 54.97 57.01 2oup s GLU 504 Cb -0.08 -3.78 0.44 0.00 0.10 0.00 0.00 34.13 30.81 2oup s GLU 504 CO 0.04 -0.72 1.69 1.25 0.02 0.00 0.00 175.26 177.55 2oup h LEU 505 N 9.39 0.03 -0.74 1.80 5.85 -1.96 -1.39 115.31 128.30 2oup h LEU 505 Ca -0.36 0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.50 2oup h LEU 505 Cb 1.16 0.18 -0.04 0.00 0.37 0.00 0.00 40.66 42.34 2oup h LEU 505 CO 0.94 -0.02 0.48 -0.08 -0.34 0.00 0.00 178.44 179.42 2oup h GLU 506 N 0.28 0.97 -0.39 1.25 4.81 -1.98 -0.36 114.58 119.16 2oup h GLU 506 Ca 0.40 -0.06 -0.14 0.00 -0.13 0.00 0.00 59.36 59.43 2oup h GLU 506 Cb 0.67 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 2oup h GLU 506 CO -0.49 0.65 -0.31 0.87 -0.73 0.00 0.00 179.01 179.00 2oup h LYS 507 N 1.00 0.87 -0.61 1.92 1.57 -1.58 -2.24 116.57 117.50 2oup h LYS 507 Ca 0.27 -0.41 -0.05 0.00 -1.87 0.00 0.00 60.65 58.58 2oup h LYS 507 Cb -0.10 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 2oup h LYS 507 CO -0.06 1.06 0.16 1.25 -0.57 0.00 0.00 179.45 181.29 2oup h LEU 508 N 0.73 0.91 -0.60 2.94 5.85 -0.90 0.04 115.31 124.28 2oup h LEU 508 Ca 0.08 -0.22 -0.11 0.00 0.84 0.00 0.00 57.88 58.46 2oup h LEU 508 Cb 0.87 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 2oup h LEU 508 CO 0.08 0.89 -0.14 0.00 -0.34 0.00 0.00 178.44 178.93 2oup h ARG 510 N 0.85 0.81 0.02 0.00 3.08 -1.20 -1.54 114.38 116.41 2oup h ARG 510 Ca 0.13 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 59.97 2oup h ARG 510 Cb 0.69 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.64 2oup h ARG 510 CO 0.05 0.81 -0.02 0.35 -1.07 0.00 0.00 179.97 180.09 2oup h PHE 511 N 0.69 -0.05 -0.17 3.04 3.57 -0.78 -0.97 116.94 122.27 2oup h PHE 511 Ca 0.15 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.65 2oup h PHE 511 Cb 0.38 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 2oup h PHE 511 CO 0.03 -0.04 0.10 0.82 -2.23 0.00 0.00 178.31 176.99 2oup h ILE 512 N -0.05 1.08 0.00 1.41 2.04 -0.96 -0.33 117.51 120.70 2oup h ILE 512 Ca 0.00 -0.20 -0.06 0.00 1.00 0.00 0.00 64.86 65.60 2oup h ILE 512 Cb 0.05 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 2oup h ILE 512 CO -0.01 0.07 -0.27 0.24 0.00 0.00 0.00 178.15 178.18 2oup h MET 513 N 0.19 0.00 0.05 2.37 2.86 -1.21 -1.26 114.93 117.92 2oup h MET 513 Ca 0.06 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.46 2oup h MET 513 Cb 0.03 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.69 2oup h MET 513 CO -0.01 0.27 -1.03 0.77 1.06 0.00 0.00 176.91 177.97 2oup h SER 514 N 0.00 0.40 -0.21 1.22 0.02 -0.85 -2.53 113.55 111.60 2oup h SER 514 Ca -0.00 -0.36 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 2oup h SER 514 Cb 0.64 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 2oup h SER 514 CO 0.04 1.20 0.13 0.58 -1.14 0.00 0.00 176.83 177.64 2oup h VAL 515 N 0.13 1.04 -0.83 2.27 2.07 -0.52 -2.11 116.25 118.31 2oup h VAL 515 Ca -0.09 -0.09 0.08 0.00 0.82 0.00 0.00 66.70 67.42 2oup h VAL 515 Cb 1.70 0.75 -0.07 0.00 -1.52 0.00 0.00 31.29 32.15 2oup h VAL 515 CO 0.17 0.05 0.49 0.50 0.02 0.00 0.00 177.57 178.80 2oup h LYS 516 N 0.27 0.83 0.00 1.57 3.64 -1.22 -0.27 116.57 121.39 2oup h LYS 516 Ca 0.08 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2oup h LYS 516 Cb -0.02 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.61 2oup h LYS 516 CO -0.02 0.55 0.00 -0.22 -2.27 0.00 0.00 179.45 177.49 2oup h LYS 517 N 0.86 0.00 -0.64 1.90 3.64 -0.97 -2.65 116.57 118.71 2oup h LYS 517 Ca 0.38 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.76 2oup h LYS 517 Cb 0.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 2oup h LYS 517 CO -0.21 0.00 0.00 0.09 -2.27 0.00 0.00 179.45 177.06 2oup n ASN 518 N -2.41 3.77 -4.86 4.20 3.02 -0.12 -4.80 115.26 114.06 2oup n ASN 518 Ca 0.01 -1.99 -0.37 0.00 -0.03 0.00 0.00 54.58 52.20 2oup n ASN 518 Cb 0.22 -0.42 -0.06 0.00 -0.61 0.00 0.00 39.78 38.91 2oup n ASN 518 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2oup s TYR 519 N -1.08 3.64 0.51 3.10 1.51 -1.00 -1.60 117.35 122.43 2oup s TYR 519 Ca 0.45 0.73 -0.02 0.00 -1.01 0.00 0.00 57.07 57.22 2oup s TYR 519 Cb 0.24 -2.09 0.01 0.00 -0.11 0.00 0.00 41.96 40.00 2oup s TYR 519 CO 0.31 0.66 0.76 1.03 -1.11 0.00 0.00 175.55 177.21 2oup s ARG 520 N -1.28 2.95 -1.41 -0.62 0.52 -1.26 -4.86 118.95 112.98 2oup s ARG 520 Ca 0.22 -0.35 -0.08 0.00 -0.52 0.00 0.00 55.73 55.00 2oup s ARG 520 Cb -0.14 -2.45 0.06 0.00 0.52 0.00 0.00 34.95 32.94 2oup s ARG 520 CO 0.11 -0.47 2.43 2.89 0.02 0.00 0.00 175.30 180.28 2oup n ARG 521 N -2.29 3.97 -3.49 3.54 1.85 -1.26 -4.61 116.66 114.37 2oup n ARG 521 Ca 0.03 -3.03 -0.21 0.00 -1.00 0.00 0.00 57.85 53.63 2oup n ARG 521 Cb 0.58 -2.81 -0.01 0.00 -1.05 0.00 0.00 32.46 29.17 2oup n ARG 521 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 2oup s VAL 522 N 0.54 4.64 0.36 8.89 -7.23 -1.26 -5.03 120.40 121.31 2oup s VAL 522 Ca 0.55 -0.76 0.05 0.00 -1.81 0.00 0.00 61.98 60.00 2oup s VAL 522 Cb 0.16 -3.66 0.19 0.00 0.56 0.00 0.00 36.38 33.64 2oup s VAL 522 CO -0.07 -0.34 1.94 -0.65 -0.31 0.00 0.00 175.10 175.67 2oup h PRO 523 N 0.84 0.54 0.00 4.82 0.11 -1.91 -3.42 132.00 132.97 2oup h PRO 523 Ca -0.49 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 65.54 2oup h PRO 523 Cb 1.24 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2oup h PRO 523 CO 0.58 0.49 -0.73 0.98 -0.21 0.00 0.00 178.00 179.11 2oup n TYR 524 N -4.34 -0.03 -1.77 0.65 9.36 -1.26 -4.74 117.16 115.02 2oup n TYR 524 Ca 0.02 0.01 -0.41 0.00 3.32 0.00 0.00 57.90 60.83 2oup n TYR 524 Cb 0.18 0.11 -0.01 0.00 -0.63 0.00 0.00 39.34 39.00 2oup n TYR 524 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 2oup n HIS 525 N -2.93 3.11 -4.09 2.98 8.25 -1.26 -4.36 115.22 116.93 2oup n HIS 525 Ca 0.00 -2.96 -0.04 0.00 -0.26 0.00 0.00 57.72 54.46 2oup n HIS 525 Cb 0.37 -2.38 -0.01 0.00 1.12 0.00 0.00 29.99 29.09 2oup n HIS 525 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2oup n ASN 526 N 4.81 1.76 -0.36 0.41 0.23 -1.26 -4.61 115.26 116.23 2oup n ASN 526 Ca 0.56 -1.29 0.05 0.00 -0.53 0.00 0.00 54.58 53.37 2oup n ASN 526 Cb 0.34 0.08 0.20 0.00 -2.08 0.00 0.00 39.78 38.32 2oup n ASN 526 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 2oup h TRP 527 N 1.05 1.17 -0.53 -2.53 -0.00 -1.89 -1.73 115.95 111.50 2oup h TRP 527 Ca -0.05 0.03 -0.00 0.00 -0.00 0.00 0.00 58.89 58.87 2oup h TRP 527 Cb 0.16 -0.38 -0.03 0.00 -0.00 0.00 0.00 29.16 28.92 2oup h TRP 527 CO 0.00 0.54 0.31 -0.22 -0.00 0.00 0.00 178.44 179.07 2oup h LYS 528 N 1.08 0.72 -0.46 2.65 3.64 -1.97 -1.95 116.57 120.28 2oup h LYS 528 Ca 0.46 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.77 2oup h LYS 528 Cb 0.32 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 2oup h LYS 528 CO -0.22 0.53 0.29 1.25 -2.27 0.00 0.00 179.45 179.03 2oup h HIS 529 N 0.71 0.60 -0.50 1.91 2.76 -1.54 -1.18 115.15 117.91 2oup h HIS 529 Ca 0.19 0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.41 2oup h HIS 529 Cb 0.00 -0.20 -0.05 0.00 1.55 0.00 0.00 27.41 28.72 2oup h HIS 529 CO -0.02 0.40 0.23 0.00 -1.30 0.00 0.00 177.93 177.24 2oup h ALA 530 N 1.15 0.63 -0.14 5.26 0.00 -0.94 -0.69 119.26 124.53 2oup h ALA 530 Ca 0.17 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.98 2oup h ALA 530 Cb -0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2oup h ALA 530 CO -0.03 -0.13 -0.49 0.28 0.00 0.00 0.00 179.25 178.88 2oup h VAL 531 N 0.45 1.33 -0.38 0.00 2.07 -1.14 -1.63 116.25 116.94 2oup h VAL 531 Ca 0.23 -1.71 -0.02 0.00 0.82 0.00 0.00 66.70 66.01 2oup h VAL 531 Cb 0.17 1.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 2oup h VAL 531 CO -0.18 0.52 0.14 0.74 0.02 0.00 0.00 177.57 178.81 2oup h THR 532 N 0.28 1.20 -0.55 2.57 2.02 -0.69 0.22 112.91 117.97 2oup h THR 532 Ca 0.01 -0.62 -0.06 0.00 0.77 0.00 0.00 66.41 66.51 2oup h THR 532 Cb 0.96 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 68.24 2oup h THR 532 CO 0.08 0.22 0.11 0.58 0.37 0.00 0.00 175.52 176.89 2oup h VAL 533 N 0.47 1.25 -0.73 3.16 2.07 -1.05 -2.23 116.25 119.18 2oup h VAL 533 Ca 0.13 -0.91 -0.04 0.00 0.82 0.00 0.00 66.70 66.69 2oup h VAL 533 Cb 0.21 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 2oup h VAL 533 CO -0.01 0.33 0.29 0.00 0.02 0.00 0.00 177.57 178.20 2oup h ALA 534 N 1.00 1.13 -0.59 1.67 0.00 -1.06 -2.18 119.26 119.24 2oup h ALA 534 Ca 0.17 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2oup h ALA 534 Cb 0.37 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2oup h ALA 534 CO 0.01 0.62 0.12 1.25 0.00 0.00 0.00 179.25 181.25 2oup h HIS 535 N 1.06 0.97 -0.79 0.00 6.17 -0.65 -0.64 115.15 121.26 2oup h HIS 535 Ca 0.24 -0.11 -0.04 0.00 0.71 0.00 0.00 60.37 61.18 2oup h HIS 535 Cb 0.21 -0.28 -0.04 0.00 2.52 0.00 0.00 27.41 29.82 2oup h HIS 535 CO 0.02 0.82 0.33 0.00 0.71 0.00 0.00 177.93 179.81 2oup h MET 537 N 1.15 0.88 -0.38 0.00 -1.53 -0.97 -0.38 114.93 113.69 2oup h MET 537 Ca 0.27 -0.16 0.05 0.00 -3.44 0.00 0.00 59.70 56.42 2oup h MET 537 Cb 0.19 -0.14 -0.04 0.00 -0.55 0.00 0.00 31.60 31.05 2oup h MET 537 CO -0.02 0.75 0.13 -0.92 0.14 0.00 0.00 176.91 176.98 2oup h TYR 538 N 0.82 0.22 -0.74 1.39 3.20 -0.46 0.19 116.97 121.58 2oup h TYR 538 Ca 0.20 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.06 2oup h TYR 538 Cb 0.20 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.39 2oup h TYR 538 CO 0.01 0.08 0.34 0.00 -1.64 0.00 0.00 178.16 176.95 2oup h ALA 539 N 1.25 0.96 -0.38 1.82 0.00 -0.71 0.12 119.26 122.32 2oup h ALA 539 Ca 0.18 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 2oup h ALA 539 Cb 0.16 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2oup h ALA 539 CO -0.19 0.54 0.09 0.82 0.00 0.00 0.00 179.25 180.52 2oup h ILE 540 N 1.05 1.22 -0.44 0.00 2.04 -0.50 -2.55 117.51 118.34 2oup h ILE 540 Ca 0.25 -0.76 -0.04 0.00 1.00 0.00 0.00 64.86 65.31 2oup h ILE 540 Cb 0.14 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 2oup h ILE 540 CO -0.03 0.26 0.12 -0.07 0.00 0.00 0.00 178.15 178.44 2oup h LEU 541 N 0.47 0.65 -1.20 1.44 3.38 -0.27 -2.27 115.31 117.50 2oup h LEU 541 Ca 0.12 -0.22 0.06 0.00 0.09 0.00 0.00 57.88 57.93 2oup h LEU 541 Cb 0.30 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.83 2oup h LEU 541 CO 0.00 0.69 0.56 1.56 0.09 0.00 0.00 178.44 181.34 2oup h GLN 542 N 0.57 0.95 0.00 1.13 1.08 -0.70 0.69 115.11 118.83 2oup h GLN 542 Ca 0.14 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 2oup h GLN 542 Cb 0.29 -0.21 0.00 0.00 -0.05 0.00 0.00 27.48 27.50 2oup h GLN 542 CO -0.00 0.63 -0.07 0.09 -0.95 0.00 0.00 178.83 178.53 2oup n ASN 543 N -4.48 0.13 -1.53 1.46 3.02 -0.97 -3.73 115.26 109.17 2oup n ASN 543 Ca 0.12 0.42 0.03 0.00 -0.03 0.00 0.00 54.58 55.12 2oup n ASN 543 Cb 0.18 -0.43 0.05 0.00 -0.61 0.00 0.00 39.78 38.97 2oup n ASN 543 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2oup n ASN 544 N -1.57 1.24 -0.39 6.41 3.02 -0.55 -4.84 115.26 118.59 2oup n ASN 544 Ca 0.07 -2.30 -0.11 0.00 -0.03 0.00 0.00 54.58 52.20 2oup n ASN 544 Cb 0.35 -0.35 -0.10 0.00 -0.61 0.00 0.00 39.78 39.07 2oup n ASN 544 CO 0.00 0.00 0.00 -0.74 -2.62 0.00 0.00 177.26 173.90 2oup h HIS 545 N 1.20 -1.87 0.00 3.10 2.76 0.25 -1.95 115.15 118.64 2oup h HIS 545 Ca -0.18 0.12 0.00 0.00 -2.20 0.00 0.00 60.37 58.12 2oup h HIS 545 Cb 1.70 0.94 0.00 0.00 1.55 0.00 0.00 27.41 31.60 2oup h HIS 545 CO 0.31 -0.38 0.00 0.25 -1.30 0.00 0.00 177.93 176.80 2oup n THR 546 N -5.27 0.28 0.27 6.26 -2.24 -1.26 -2.36 114.28 109.97 2oup n THR 546 Ca 0.01 0.07 0.14 0.00 -2.27 0.00 0.00 64.05 62.00 2oup n THR 546 Cb 0.27 -0.74 0.35 0.00 -2.10 0.00 0.00 70.33 68.12 2oup n THR 546 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2oup h LEU 547 N 0.00 0.00 -9.09 3.22 5.85 -1.74 -3.44 115.31 110.11 2oup h LEU 547 Ca 0.00 0.00 -0.68 0.00 0.84 0.00 0.00 57.88 58.04 2oup h LEU 547 Cb 0.14 0.00 -0.19 0.00 0.37 0.00 0.00 40.66 40.98 2oup h LEU 547 CO 0.00 0.00 -0.77 -0.36 -0.34 0.00 0.00 178.44 176.97 2oup s PHE 548 N -3.35 2.67 0.70 1.25 0.40 -0.99 -5.12 117.98 113.53 2oup s PHE 548 Ca 0.05 -0.19 -0.11 0.00 -0.60 0.00 0.00 56.93 56.08 2oup s PHE 548 Cb 0.07 -1.48 0.01 0.00 0.51 0.00 0.00 43.02 42.13 2oup s PHE 548 CO 0.62 0.33 1.07 0.95 0.70 0.00 0.00 175.22 178.88 2oup s THR 549 N -1.02 3.92 0.27 0.64 -4.23 -1.26 -4.86 115.64 109.10 2oup s THR 549 Ca 0.17 0.62 -0.04 0.00 -1.18 0.00 0.00 61.69 61.26 2oup s THR 549 Cb -0.11 -3.45 0.26 0.00 1.34 0.00 0.00 72.50 70.54 2oup s THR 549 CO 0.08 -0.81 1.93 0.44 -0.54 0.00 0.00 174.62 175.72 2oup h ASP 550 N -0.70 1.06 -0.74 3.99 3.32 -1.98 -0.86 116.42 120.51 2oup h ASP 550 Ca -0.45 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 56.53 2oup h ASP 550 Cb 1.22 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 40.49 2oup h ASP 550 CO 0.59 0.75 0.25 0.25 -1.72 0.00 0.00 179.24 179.36 2oup h LEU 551 N 1.24 1.07 -0.42 1.55 5.85 -2.00 -2.21 115.31 120.39 2oup h LEU 551 Ca 0.37 -0.20 -0.09 0.00 0.84 0.00 0.00 57.88 58.80 2oup h LEU 551 Cb -0.06 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.67 2oup h LEU 551 CO -0.10 0.99 -0.07 -0.33 -0.34 0.00 0.00 178.44 178.59 2oup h GLU 552 N 1.10 0.80 -0.71 1.25 5.08 -1.69 -1.21 114.58 119.19 2oup h GLU 552 Ca 0.24 -0.29 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 2oup h GLU 552 Cb 0.29 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 2oup h GLU 552 CO -0.01 0.90 0.32 0.00 -1.00 0.00 0.00 179.01 179.22 2oup h ARG 553 N 0.62 1.03 -0.31 2.33 3.08 -0.94 0.99 114.38 121.19 2oup h ARG 553 Ca 0.11 -0.17 -0.04 0.00 0.07 0.00 0.00 59.98 59.96 2oup h ARG 553 Cb 0.59 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 2oup h ARG 553 CO 0.04 0.83 0.05 0.87 -1.07 0.00 0.00 179.97 180.68 2oup h LYS 554 N 0.99 0.52 -0.65 0.04 1.57 -1.36 -2.07 116.57 115.60 2oup h LYS 554 Ca 0.24 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 2oup h LYS 554 Cb 0.15 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 2oup h LYS 554 CO -0.03 0.62 0.33 0.78 -0.57 0.00 0.00 179.45 180.58 2oup h GLY 555 N 0.34 1.00 1.27 3.86 0.00 -0.93 -2.46 103.07 106.15 2oup h GLY 555 Ca 0.09 -0.48 -0.18 0.00 0.00 0.00 0.00 47.33 46.76 2oup h GLY 555 CO 0.01 0.46 -0.57 1.41 0.00 0.00 0.00 176.54 177.85 2oup h LEU 556 N 0.90 0.85 -0.64 3.11 3.38 -0.71 0.20 115.31 122.40 2oup h LEU 556 Ca 0.23 -0.46 -0.09 0.00 0.09 0.00 0.00 57.88 57.65 2oup h LEU 556 Cb 0.09 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 2oup h LEU 556 CO -0.03 1.24 0.07 -0.07 0.09 0.00 0.00 178.44 179.73 2oup h LEU 557 N 0.58 1.05 -0.30 1.67 3.38 -1.36 -0.99 115.31 119.35 2oup h LEU 557 Ca 0.01 -0.28 -0.09 0.00 0.09 0.00 0.00 57.88 57.61 2oup h LEU 557 Cb 1.16 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 2oup h LEU 557 CO 0.12 1.07 -0.15 0.40 0.09 0.00 0.00 178.44 179.97 2oup h ILE 558 N 1.00 1.29 -0.77 1.22 1.08 -1.33 -2.33 117.51 117.68 2oup h ILE 558 Ca 0.19 -1.25 0.05 0.00 -0.39 0.00 0.00 64.86 63.46 2oup h ILE 558 Cb 0.49 1.47 -0.05 0.00 -3.07 0.00 0.00 36.82 35.66 2oup h ILE 558 CO 0.02 0.40 0.47 0.00 -0.69 0.00 0.00 178.15 178.35 2oup h ALA 559 N 0.75 1.04 -0.50 1.87 0.00 -0.42 -1.59 119.26 120.41 2oup h ALA 559 Ca 0.07 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2oup h ALA 559 Cb 0.67 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2oup h ALA 559 CO 0.04 0.23 0.22 0.00 0.00 0.00 0.00 179.25 179.74 2oup h LEU 561 N 0.66 0.09 -1.78 0.00 5.85 -0.83 -3.01 115.31 116.29 2oup h LEU 561 Ca 0.17 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.87 2oup h LEU 561 Cb 0.15 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.16 2oup h LEU 561 CO -0.02 0.23 -0.06 0.00 -0.34 0.00 0.00 178.44 178.26 2oup h HIS 563 N 4.22 0.00 0.00 0.00 2.07 -0.31 -2.12 115.15 119.01 2oup h HIS 563 Ca 0.00 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.51 2oup h HIS 563 Cb 0.92 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.87 2oup h HIS 563 CO 0.00 0.00 -0.28 -0.25 -3.07 0.00 0.00 177.93 174.33 2oup n ASP 564 N -2.42 1.73 -4.61 3.10 8.00 -1.26 -4.84 116.55 116.24 2oup n ASP 564 Ca -0.01 -3.05 -0.51 0.00 0.71 0.00 0.00 54.79 51.94 2oup n ASP 564 Cb 0.09 -0.41 -0.06 0.00 -0.02 0.00 0.00 41.12 40.73 2oup n ASP 564 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2oup n LEU 565 N -0.99 1.98 -1.80 0.64 4.77 -0.80 -1.70 117.00 119.10 2oup n LEU 565 Ca 0.14 1.11 -0.17 0.00 -0.03 0.00 0.00 56.01 57.06 2oup n LEU 565 Cb 0.70 -1.24 -0.02 0.00 -2.33 0.00 0.00 43.42 40.53 2oup n LEU 565 CO -0.01 -0.86 -0.21 -0.67 -1.33 0.00 0.00 177.39 174.31 2oup n ASP 566 N 2.81 -4.99 -4.76 -1.43 2.03 -0.63 -4.47 116.55 105.11 2oup n ASP 566 Ca 0.18 0.07 -0.41 0.00 0.52 0.00 0.00 54.79 55.15 2oup n ASP 566 Cb 0.21 -4.07 -0.02 0.00 -0.72 0.00 0.00 41.12 36.52 2oup n ASP 566 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 2oup s HIS 567 N -2.80 2.97 -2.34 -0.67 5.65 -0.69 -4.91 115.29 112.50 2oup s HIS 567 Ca 0.00 1.26 0.20 0.00 0.25 0.00 0.00 55.06 56.77 2oup s HIS 567 Cb 0.00 -3.77 0.27 0.00 -1.18 0.00 0.00 32.58 27.89 2oup s HIS 567 CO 0.00 -2.28 1.23 0.54 -0.65 0.00 0.00 174.74 173.59 2oup n ARG 568 N 1.23 2.09 -0.48 2.88 3.00 -1.26 -4.38 116.66 119.73 2oup n ARG 568 Ca 0.02 -1.93 0.00 0.00 -0.01 0.00 0.00 57.85 55.93 2oup n ARG 568 Cb 0.41 -1.42 0.00 0.00 0.00 0.00 0.00 32.46 31.45 2oup n ARG 568 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2oup n GLY 569 N 1.21 0.76 3.38 -0.13 0.00 -1.26 -5.01 105.19 104.14 2oup n GLY 569 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 2oup n GLY 569 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2oup s PHE 570 N -2.04 2.50 0.74 1.61 0.40 -1.26 -4.69 117.98 115.24 2oup s PHE 570 Ca 0.00 -0.36 -0.12 0.00 -0.60 0.00 0.00 56.93 55.86 2oup s PHE 570 Cb 0.00 -1.57 0.04 0.00 0.51 0.00 0.00 43.02 42.00 2oup s PHE 570 CO 0.00 0.03 1.10 -1.54 0.70 0.00 0.00 175.22 175.51 2oup s SER 571 N -0.59 5.06 0.42 1.36 1.04 -1.26 -4.91 113.70 114.82 2oup s SER 571 Ca 0.09 1.16 0.11 0.00 0.48 0.00 0.00 55.95 57.78 2oup s SER 571 Cb -0.11 -1.91 0.91 0.00 0.10 0.00 0.00 66.02 65.01 2oup s SER 571 CO 0.00 -1.59 1.99 0.78 0.98 0.00 0.00 173.24 175.41 2oup h ASN 572 N -0.83 0.21 -0.67 7.02 2.35 -2.00 -2.15 115.58 119.51 2oup h ASN 572 Ca -0.46 -0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.26 2oup h ASN 572 Cb 1.26 -0.05 -0.03 0.00 0.05 0.00 0.00 38.32 39.55 2oup h ASN 572 CO 0.63 0.29 0.41 0.28 -1.65 0.00 0.00 177.43 177.38 2oup h SER 573 N 0.23 0.80 0.06 5.81 0.02 -1.99 -1.61 113.55 116.87 2oup h SER 573 Ca 0.05 -0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2oup h SER 573 Cb 0.22 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.56 2oup h SER 573 CO 0.01 0.62 -0.03 0.22 -1.14 0.00 0.00 176.83 176.50 2oup h TYR 574 N 0.91 -0.08 -0.81 3.45 3.20 -1.78 -1.02 116.97 120.84 2oup h TYR 574 Ca 0.24 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.18 2oup h TYR 574 Cb -0.04 0.03 -0.06 0.00 1.54 0.00 0.00 36.73 38.19 2oup h TYR 574 CO -0.02 0.23 0.48 -0.07 -1.64 0.00 0.00 178.16 177.14 2oup h LEU 575 N -0.39 0.72 0.04 2.82 3.38 -1.28 -1.25 115.31 119.36 2oup h LEU 575 Ca -0.01 0.03 -0.28 0.00 0.09 0.00 0.00 57.88 57.71 2oup h LEU 575 Cb 0.34 -0.11 0.02 0.00 0.09 0.00 0.00 40.66 41.00 2oup h LEU 575 CO 0.01 0.44 -1.12 1.56 0.09 0.00 0.00 178.44 179.43 2oup h GLN 576 N 0.85 0.68 -0.62 1.13 4.20 -1.32 -0.06 115.11 119.96 2oup h GLN 576 Ca 0.37 -0.79 -0.01 0.00 0.06 0.00 0.00 58.65 58.28 2oup h GLN 576 Cb 0.25 0.24 -0.03 0.00 0.30 0.00 0.00 27.48 28.23 2oup h GLN 576 CO -0.20 1.35 0.34 0.87 -0.67 0.00 0.00 178.83 180.52 2oup h LYS 577 N 0.36 0.85 -0.41 1.46 1.57 -0.80 -2.89 116.57 116.71 2oup h LYS 577 Ca -0.15 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.51 2oup h LYS 577 Cb 1.78 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 33.89 2oup h LYS 577 CO 0.22 0.63 0.03 1.19 -0.57 0.00 0.00 179.45 180.94 2oup n PHE 578 N -4.39 1.45 -3.92 -1.35 3.01 -0.51 -4.99 117.46 106.76 2oup n PHE 578 Ca 0.06 -0.91 -0.25 0.00 1.01 0.00 0.00 57.45 57.36 2oup n PHE 578 Cb 0.09 -0.42 -0.01 0.00 -0.01 0.00 0.00 39.48 39.13 2oup n PHE 578 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 2oup n ASP 579 N -0.19 -0.46 -4.76 4.37 10.43 -0.99 -4.93 116.55 120.02 2oup n ASP 579 Ca 0.26 -0.98 -0.35 0.00 2.57 0.00 0.00 54.79 56.29 2oup n ASP 579 Cb 1.05 -3.18 0.02 0.00 1.84 0.00 0.00 41.12 40.85 2oup n ASP 579 CO 0.00 0.00 0.00 -2.28 -1.07 0.00 0.00 177.20 173.85 2oup s HIS 580 N -3.91 2.54 0.38 1.24 2.46 -0.07 -4.88 115.29 113.04 2oup s HIS 580 Ca 0.01 1.54 0.13 0.00 0.47 0.00 0.00 55.06 57.22 2oup s HIS 580 Cb -0.01 -3.33 0.95 0.00 -0.13 0.00 0.00 32.58 30.06 2oup s HIS 580 CO 0.88 -1.84 1.84 -1.35 -2.47 0.00 0.00 174.74 171.79 2oup h PRO 581 N 0.81 0.54 -0.39 2.88 0.11 -1.91 -0.30 132.00 133.74 2oup h PRO 581 Ca -0.49 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.60 2oup h PRO 581 Cb 1.27 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 2oup h PRO 581 CO 0.55 0.35 0.26 -0.07 -0.21 0.00 0.00 178.00 178.89 2oup h LEU 582 N 0.55 0.39 -1.08 2.35 3.38 -1.93 -1.33 115.31 117.65 2oup h LEU 582 Ca 0.49 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.43 2oup h LEU 582 Cb 1.02 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.67 2oup h LEU 582 CO -0.23 0.28 -0.12 0.00 0.09 0.00 0.00 178.44 178.46 2oup h ALA 583 N 1.77 1.00 0.23 1.53 0.00 -1.26 0.64 119.26 123.16 2oup h ALA 583 Ca 0.15 -0.11 -0.33 0.00 0.00 0.00 0.00 54.91 54.63 2oup h ALA 583 Cb 0.04 -0.02 0.03 0.00 0.00 0.00 0.00 17.79 17.84 2oup h ALA 583 CO -0.03 0.15 -1.46 0.00 0.00 0.00 0.00 179.25 177.91 2oup h ALA 584 N 1.88 -0.09 -0.19 0.00 0.00 -1.22 -3.27 119.26 116.37 2oup h ALA 584 Ca -0.00 -0.89 -0.11 0.00 0.00 0.00 0.00 54.91 53.91 2oup h ALA 584 Cb 0.71 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 2oup h ALA 584 CO 0.02 0.78 -0.32 1.25 0.00 0.00 0.00 179.25 180.97 2oup h LEU 585 N 0.13 0.61 -7.49 0.00 6.46 -1.25 -3.39 115.31 110.37 2oup h LEU 585 Ca -0.24 -0.53 -0.65 0.00 -0.12 0.00 0.00 57.88 56.34 2oup h LEU 585 Cb 2.13 -0.17 -0.41 0.00 -0.73 0.00 0.00 40.66 41.48 2oup h LEU 585 CO 0.26 1.02 -0.66 -0.31 -0.62 0.00 0.00 178.44 178.13 2oup s TYR 586 N -4.11 3.39 0.33 1.25 2.02 0.20 -4.99 117.35 115.43 2oup s TYR 586 Ca -0.13 -3.11 0.04 0.00 -0.37 0.00 0.00 57.07 53.50 2oup s TYR 586 Cb 0.07 -2.86 0.66 0.00 -0.40 0.00 0.00 41.96 39.43 2oup s TYR 586 CO 0.81 -0.81 1.89 0.66 -1.57 0.00 0.00 175.55 176.52 2oup h SER 587 N 6.88 0.79 -3.89 2.29 4.64 -1.77 -3.38 113.55 119.12 2oup h SER 587 Ca -0.07 0.02 -0.36 0.00 -0.47 0.00 0.00 61.79 60.92 2oup h SER 587 Cb 0.94 -0.14 -0.14 0.00 -0.31 0.00 0.00 62.40 62.74 2oup h SER 587 CO 0.63 0.46 -0.68 0.42 -0.87 0.00 0.00 176.83 176.79 2oup s THR 588 N -5.80 1.10 -1.54 2.95 -4.23 -1.26 -4.79 115.64 102.07 2oup s THR 588 Ca -0.11 -2.05 -0.04 0.00 -1.18 0.00 0.00 61.69 58.32 2oup s THR 588 Cb 0.21 -2.16 0.03 0.00 1.34 0.00 0.00 72.50 71.92 2oup s THR 588 CO 0.79 -0.48 0.28 -1.20 -0.54 0.00 0.00 174.62 173.47 2oup n SER 589 N -0.34 -0.15 0.09 3.99 7.64 -1.26 -4.79 113.62 118.80 2oup n SER 589 Ca -0.07 -1.15 -0.15 0.00 1.01 0.00 0.00 58.87 58.51 2oup n SER 589 Cb 0.63 -2.25 -0.09 0.00 -1.01 0.00 0.00 64.21 61.48 2oup n SER 589 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2oup h THR 590 N -1.71 0.00 -0.53 0.44 2.02 -1.87 -0.69 112.91 110.58 2oup h THR 590 Ca -0.64 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 66.49 2oup h THR 590 Cb 1.39 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 2oup h THR 590 CO 0.70 0.00 0.12 0.24 0.37 0.00 0.00 175.52 176.95 2oup h MET 591 N -0.69 0.81 -0.62 6.66 2.86 -1.91 -2.53 114.93 119.52 2oup h MET 591 Ca -0.00 -0.17 -0.07 0.00 -2.06 0.00 0.00 59.70 57.40 2oup h MET 591 Cb 0.70 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.21 2oup h MET 591 CO -0.28 0.73 0.11 0.93 1.06 0.00 0.00 176.91 179.46 2oup h GLU 592 N 0.78 1.01 -0.41 1.72 3.07 -1.81 0.20 114.58 119.14 2oup h GLU 592 Ca 0.17 -0.27 -0.04 0.00 -0.50 0.00 0.00 59.36 58.73 2oup h GLU 592 Cb 0.30 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 28.07 2oup h GLU 592 CO -0.00 0.94 0.10 1.96 -1.40 0.00 0.00 179.01 180.61 2oup h GLN 593 N 0.92 0.60 -0.43 2.33 4.20 -0.96 -1.83 115.11 119.93 2oup h GLN 593 Ca 0.19 -0.10 -0.06 0.00 0.06 0.00 0.00 58.65 58.73 2oup h GLN 593 Cb 0.41 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 2oup h GLN 593 CO 0.01 0.55 0.02 1.25 -0.67 0.00 0.00 178.83 179.99 2oup h HIS 594 N 0.59 0.81 -0.92 2.96 2.76 -0.87 -1.53 115.15 118.95 2oup h HIS 594 Ca 0.14 -0.13 0.01 0.00 -2.20 0.00 0.00 60.37 58.19 2oup h HIS 594 Cb 0.22 -0.21 -0.05 0.00 1.55 0.00 0.00 27.41 28.92 2oup h HIS 594 CO 0.01 0.80 0.61 0.45 -1.30 0.00 0.00 177.93 178.50 2oup h HIS 595 N 0.60 1.16 -0.38 5.26 3.86 -0.09 -0.22 115.15 125.32 2oup h HIS 595 Ca 0.13 0.03 -0.14 0.00 -1.16 0.00 0.00 60.37 59.22 2oup h HIS 595 Cb 0.46 -0.39 -0.01 0.00 1.06 0.00 0.00 27.41 28.53 2oup h HIS 595 CO 0.03 0.72 -0.33 0.35 0.86 0.00 0.00 177.93 179.56 2oup h PHE 596 N 1.24 1.03 -0.84 2.45 3.57 -1.19 -1.63 116.94 121.57 2oup h PHE 596 Ca 0.34 -0.28 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 2oup h PHE 596 Cb -0.13 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.35 2oup h PHE 596 CO -0.00 1.08 0.51 1.03 -2.23 0.00 0.00 178.31 178.70 2oup h SER 597 N 0.73 1.00 -0.28 0.41 0.87 -0.46 -1.62 113.55 114.20 2oup h SER 597 Ca 0.07 -0.06 -0.06 0.00 -1.23 0.00 0.00 61.79 60.51 2oup h SER 597 Cb 0.90 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.59 2oup h SER 597 CO 0.08 0.77 0.01 1.56 -0.53 0.00 0.00 176.83 178.72 2oup h GLN 598 N 1.15 0.60 -0.10 2.24 1.08 -0.87 -1.15 115.11 118.06 2oup h GLN 598 Ca 0.30 -0.14 -0.01 0.00 -1.45 0.00 0.00 58.65 57.35 2oup h GLN 598 Cb -0.05 -0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 27.29 2oup h GLN 598 CO -0.06 0.62 0.02 1.15 -0.95 0.00 0.00 178.83 179.62 2oup h THR 599 N 0.58 1.19 -0.82 -0.54 2.02 -0.58 -1.68 112.91 113.08 2oup h THR 599 Ca 0.12 -0.60 -0.02 0.00 0.77 0.00 0.00 66.41 66.68 2oup h THR 599 Cb 0.36 1.41 -0.04 0.00 -1.74 0.00 0.00 68.15 68.14 2oup h THR 599 CO 0.01 0.17 0.45 0.58 0.37 0.00 0.00 175.52 177.11 2oup h VAL 600 N -0.05 1.24 -0.73 3.16 2.07 -1.10 -2.10 116.25 118.75 2oup h VAL 600 Ca 0.03 -0.60 0.03 0.00 0.82 0.00 0.00 66.70 66.98 2oup h VAL 600 Cb 0.25 0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.12 2oup h VAL 600 CO 0.00 0.27 0.48 0.28 0.02 0.00 0.00 177.57 178.62 2oup h SER 601 N 1.15 0.78 -0.29 0.57 0.02 -0.89 -1.68 113.55 113.21 2oup h SER 601 Ca 0.29 -0.01 -0.18 0.00 -0.84 0.00 0.00 61.79 61.05 2oup h SER 601 Cb 0.03 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.38 2oup h SER 601 CO -0.05 0.54 -0.53 0.40 -1.14 0.00 0.00 176.83 176.05 2oup h ILE 602 N 0.90 1.27 0.00 3.27 2.04 -0.74 -2.84 117.51 121.42 2oup h ILE 602 Ca 0.28 -1.72 -0.02 0.00 1.00 0.00 0.00 64.86 64.41 2oup h ILE 602 Cb 0.02 1.60 -0.00 0.00 -0.74 0.00 0.00 36.82 37.70 2oup h ILE 602 CO -0.08 0.56 -0.08 -0.07 0.00 0.00 0.00 178.15 178.48 2oup h LEU 603 N 0.68 0.00 -0.08 1.44 3.38 -0.84 -1.62 115.31 118.27 2oup h LEU 603 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2oup h LEU 603 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 2oup h LEU 603 CO 0.12 0.08 -0.03 0.00 0.09 0.00 0.00 178.44 178.70 2oup n GLN 604 N -4.21 0.61 -2.45 1.13 6.02 -0.68 -2.83 117.38 114.97 2oup n GLN 604 Ca -0.03 -0.08 -0.38 0.00 -0.01 0.00 0.00 57.00 56.51 2oup n GLN 604 Cb 0.16 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.89 2oup n GLN 604 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2oup s LEU 605 N -2.45 4.22 0.10 1.08 1.43 -0.61 -4.92 118.68 117.54 2oup s LEU 605 Ca 0.32 2.18 -0.35 0.00 -1.03 0.00 0.00 54.13 55.25 2oup s LEU 605 Cb 0.20 -4.04 -0.15 0.00 0.03 0.00 0.00 46.19 42.23 2oup s LEU 605 CO 0.45 -0.50 1.49 1.21 0.23 0.00 0.00 176.35 179.23 2oup n GLU 606 N 0.18 1.68 -1.18 1.70 2.13 -1.26 -1.29 120.64 122.61 2oup n GLU 606 Ca 0.04 0.61 -0.06 0.00 0.66 0.00 0.00 57.16 58.41 2oup n GLU 606 Cb 0.48 -2.32 -0.03 0.00 0.27 0.00 0.00 31.44 29.84 2oup n GLU 606 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2oup n GLY 607 N 3.09 0.77 0.16 8.31 0.00 -1.26 -4.87 105.19 111.39 2oup n GLY 607 Ca 0.18 -0.24 0.06 0.00 0.00 0.00 0.00 46.02 46.02 2oup n GLY 607 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2oup n HIS 608 N -2.54 0.00 -2.61 1.61 8.25 -0.41 -4.42 115.22 115.09 2oup n HIS 608 Ca -0.06 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.98 2oup n HIS 608 Cb 0.34 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.43 2oup n HIS 608 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 2oup s ASN 609 N -1.78 6.63 0.18 0.41 3.84 -1.13 -4.63 114.94 118.46 2oup s ASN 609 Ca 0.08 -1.85 0.17 0.00 0.21 0.00 0.00 52.86 51.47 2oup s ASN 609 Cb 0.09 -2.55 0.78 0.00 -0.55 0.00 0.00 41.25 39.03 2oup s ASN 609 CO 0.38 -1.34 1.51 2.30 -2.79 0.00 0.00 177.10 177.15 2oup n ILE 610 N 6.53 1.16 0.97 -5.21 -5.35 -1.26 -2.39 119.36 113.82 2oup n ILE 610 Ca 0.37 0.45 0.12 0.00 -0.27 0.00 0.00 62.75 63.42 2oup n ILE 610 Cb 0.49 -1.39 0.08 0.00 -1.74 0.00 0.00 39.64 37.08 2oup n ILE 610 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 2oup n PHE 611 N -1.97 0.00 0.28 4.28 0.99 -1.26 -4.57 117.46 115.21 2oup n PHE 611 Ca 0.01 0.00 0.15 0.00 -0.00 0.00 0.00 57.45 57.61 2oup n PHE 611 Cb 0.11 0.00 0.89 0.00 -1.00 0.00 0.00 39.48 39.48 2oup n PHE 611 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.76 177.53 2oup h SER 612 N 4.25 0.00 0.17 4.37 0.02 -1.89 -1.66 113.55 118.82 2oup h SER 612 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2oup h SER 612 Cb 0.94 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.48 2oup h SER 612 CO 0.00 0.00 0.00 0.35 -1.14 0.00 0.00 176.83 176.04 2oup n THR 613 N -3.86 0.02 -2.73 -2.27 -2.24 -1.26 -4.80 114.28 97.14 2oup n THR 613 Ca -0.02 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.43 2oup n THR 613 Cb 0.13 -0.53 -0.06 0.00 -2.10 0.00 0.00 70.33 67.77 2oup n THR 613 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2oup s LEU 614 N -2.18 3.90 0.93 3.22 1.43 -0.63 -5.02 118.68 120.33 2oup s LEU 614 Ca 0.40 1.75 -0.10 0.00 -1.03 0.00 0.00 54.13 55.15 2oup s LEU 614 Cb 0.20 -4.54 0.15 0.00 0.03 0.00 0.00 46.19 42.03 2oup s LEU 614 CO 0.38 -0.49 1.14 -0.94 0.23 0.00 0.00 176.35 176.67 2oup s SER 615 N -2.16 2.82 0.47 2.29 1.04 -1.26 -4.60 113.70 112.29 2oup s SER 615 Ca 0.63 2.14 0.16 0.00 0.48 0.00 0.00 55.95 59.36 2oup s SER 615 Cb -0.11 -2.55 1.13 0.00 0.10 0.00 0.00 66.02 64.59 2oup s SER 615 CO 0.16 -3.16 2.03 0.77 0.98 0.00 0.00 173.24 174.02 2oup h SER 616 N -1.91 0.23 -0.08 7.02 4.64 -1.95 0.33 113.55 121.83 2oup h SER 616 Ca -0.44 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.77 2oup h SER 616 Cb 1.27 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2oup h SER 616 CO 0.42 0.14 -0.37 -1.28 -0.87 0.00 0.00 176.83 174.88 2oup h SER 617 N 0.26 0.47 0.51 4.97 0.87 -2.00 -2.87 113.55 115.75 2oup h SER 617 Ca 0.20 -0.64 -0.10 0.00 -1.23 0.00 0.00 61.79 60.02 2oup h SER 617 Cb 0.45 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.26 2oup h SER 617 CO -0.04 1.03 -0.47 -0.33 -0.53 0.00 0.00 176.83 176.49 2oup h GLU 618 N -0.06 0.00 -0.40 2.24 5.08 -1.76 -1.96 114.58 117.71 2oup h GLU 618 Ca -0.02 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 2oup h GLU 618 Cb 1.01 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.24 2oup h GLU 618 CO 0.08 0.47 0.08 -0.92 -1.00 0.00 0.00 179.01 177.71 2oup h TYR 619 N 0.00 0.70 -0.22 4.33 3.20 -0.95 0.14 116.97 124.17 2oup h TYR 619 Ca -0.00 -0.09 -0.12 0.00 3.14 0.00 0.00 58.73 61.65 2oup h TYR 619 Cb 0.85 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.92 2oup h TYR 619 CO 0.00 0.68 -0.39 1.05 -1.64 0.00 0.00 178.16 177.86 2oup h GLU 620 N 0.51 0.49 -0.51 1.82 4.11 -1.35 -2.47 114.58 117.18 2oup h GLU 620 Ca 0.12 -0.24 -0.07 0.00 0.07 0.00 0.00 59.36 59.24 2oup h GLU 620 Cb 0.35 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 2oup h GLU 620 CO 0.01 0.80 0.05 1.96 0.07 0.00 0.00 179.01 181.90 2oup h GLN 621 N 0.41 0.88 -0.31 1.06 4.20 -1.00 -2.35 115.11 117.99 2oup h GLN 621 Ca 0.04 -0.26 -0.14 0.00 0.06 0.00 0.00 58.65 58.36 2oup h GLN 621 Cb 0.86 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.54 2oup h GLN 621 CO 0.07 0.88 -0.36 -0.24 -0.67 0.00 0.00 178.83 178.52 2oup h VAL 622 N 0.75 1.29 -0.39 -0.54 3.04 -0.60 -1.15 116.25 118.64 2oup h VAL 622 Ca 0.15 -1.52 -0.03 0.00 -1.01 0.00 0.00 66.70 64.29 2oup h VAL 622 Cb 0.46 1.43 -0.02 0.00 -2.01 0.00 0.00 31.29 31.15 2oup h VAL 622 CO 0.02 0.49 0.11 -0.07 -1.01 0.00 0.00 177.57 177.11 2oup h LEU 623 N 0.60 0.52 -0.35 3.16 3.38 -1.34 -0.47 115.31 120.81 2oup h LEU 623 Ca 0.06 -0.07 -0.18 0.00 0.09 0.00 0.00 57.88 57.78 2oup h LEU 623 Cb 0.89 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 2oup h LEU 623 CO 0.08 0.52 -0.57 -0.33 0.09 0.00 0.00 178.44 178.23 2oup h GLU 624 N 0.56 0.78 -0.51 1.13 4.39 -1.12 0.53 114.58 120.34 2oup h GLU 624 Ca 0.13 -0.51 0.01 0.00 0.34 0.00 0.00 59.36 59.33 2oup h GLU 624 Cb 0.19 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.88 2oup h GLU 624 CO -0.01 1.14 0.34 0.82 -1.16 0.00 0.00 179.01 180.14 2oup h ILE 625 N 0.60 1.12 -0.27 3.13 2.04 -0.65 -1.16 117.51 122.32 2oup h ILE 625 Ca 0.01 -0.23 -0.04 0.00 1.00 0.00 0.00 64.86 65.59 2oup h ILE 625 Cb 1.16 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 2oup h ILE 625 CO 0.12 0.12 0.01 0.40 0.00 0.00 0.00 178.15 178.80 2oup h ILE 626 N 0.68 1.25 0.00 -0.67 2.04 -0.94 -0.81 117.51 119.06 2oup h ILE 626 Ca 0.19 -0.89 0.01 0.00 1.00 0.00 0.00 64.86 65.17 2oup h ILE 626 Cb -0.07 1.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 2oup h ILE 626 CO -0.05 0.28 -0.06 -0.09 0.00 0.00 0.00 178.15 178.24 2oup h ARG 627 N 0.26 -0.10 -0.80 2.37 2.43 -0.71 -0.46 114.38 117.37 2oup h ARG 627 Ca 0.08 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.24 2oup h ARG 627 Cb 0.40 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.94 2oup h ARG 627 CO 0.01 -0.06 0.42 0.87 -1.51 0.00 0.00 179.97 179.70 2oup h LYS 628 N -0.10 1.11 -0.42 0.20 1.57 -1.18 -0.63 116.57 117.13 2oup h LYS 628 Ca 0.02 -0.13 -0.06 0.00 -1.87 0.00 0.00 60.65 58.61 2oup h LYS 628 Cb 0.13 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 2oup h LYS 628 CO -0.06 0.83 0.03 0.00 -0.57 0.00 0.00 179.45 179.68 2oup h ALA 629 N 1.35 0.57 -0.32 3.86 0.00 -0.78 -1.11 119.26 122.83 2oup h ALA 629 Ca 0.28 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 2oup h ALA 629 Cb 0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2oup h ALA 629 CO -0.04 0.33 -0.10 0.82 0.00 0.00 0.00 179.25 180.25 2oup h ILE 630 N 0.57 1.28 -0.70 0.00 2.04 -0.81 -2.81 117.51 117.09 2oup h ILE 630 Ca 0.12 -1.17 0.01 0.00 1.00 0.00 0.00 64.86 64.82 2oup h ILE 630 Cb 0.45 1.37 -0.03 0.00 -0.74 0.00 0.00 36.82 37.86 2oup h ILE 630 CO 0.02 0.38 0.46 0.40 0.00 0.00 0.00 178.15 179.40 2oup h ILE 631 N 0.41 1.18 0.00 -0.67 1.08 -1.04 -1.26 117.51 117.21 2oup h ILE 631 Ca 0.08 -0.33 -0.00 0.00 -0.39 0.00 0.00 64.86 64.22 2oup h ILE 631 Cb 0.61 0.16 -0.00 0.00 -3.07 0.00 0.00 36.82 34.51 2oup h ILE 631 CO 0.04 0.17 -0.00 0.00 -0.69 0.00 0.00 178.15 177.67 2oup h ALA 632 N 1.56 1.05 0.00 1.87 0.00 -0.93 -1.44 119.26 121.37 2oup h ALA 632 Ca 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2oup h ALA 632 Cb -0.11 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2oup h ALA 632 CO -0.05 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.45 2oup n THR 633 N -3.15 0.05 -2.56 0.00 -2.24 -0.47 -4.56 114.28 101.34 2oup n THR 633 Ca -0.03 0.01 -0.43 0.00 -2.27 0.00 0.00 64.05 61.34 2oup n THR 633 Cb 0.09 -0.67 -0.02 0.00 -2.10 0.00 0.00 70.33 67.63 2oup n THR 633 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2oup s ASP 634 N -2.07 6.53 0.62 3.42 2.15 -0.54 -4.88 116.67 121.90 2oup s ASP 634 Ca 0.31 0.40 0.31 0.00 0.43 0.00 0.00 52.55 54.00 2oup s ASP 634 Cb 0.15 -2.55 1.72 0.00 -0.30 0.00 0.00 42.92 41.94 2oup s ASP 634 CO 0.26 -1.36 2.05 -0.07 -0.17 0.00 0.00 175.17 175.89 2oup h LEU 635 N 11.60 0.00 -1.59 -1.34 3.38 -1.89 -0.60 115.31 124.87 2oup h LEU 635 Ca -0.24 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.80 2oup h LEU 635 Cb 1.07 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.78 2oup h LEU 635 CO 1.14 0.00 0.38 0.00 0.09 0.00 0.00 178.44 180.05 2oup h ALA 636 N 1.62 1.89 0.00 1.53 0.00 -1.94 -1.60 119.26 120.77 2oup h ALA 636 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2oup h ALA 636 Cb 0.60 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2oup h ALA 636 CO -0.00 0.01 -0.39 -0.07 0.00 0.00 0.00 179.25 178.80 2oup h LEU 637 N 0.50 0.00 -0.74 0.00 3.38 -1.44 -3.35 115.31 113.66 2oup h LEU 637 Ca 0.25 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 2oup h LEU 637 Cb 0.35 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 2oup h LEU 637 CO -0.07 0.01 0.36 0.22 0.09 0.00 0.00 178.44 179.05 2oup h TYR 638 N 0.00 1.06 -0.46 1.13 3.20 -1.29 -2.18 116.97 118.43 2oup h TYR 638 Ca 0.00 -0.05 0.05 0.00 3.14 0.00 0.00 58.73 61.87 2oup h TYR 638 Cb 0.97 -0.33 -0.04 0.00 1.54 0.00 0.00 36.73 38.87 2oup h TYR 638 CO 0.00 0.77 0.20 0.74 -1.64 0.00 0.00 178.16 178.24 2oup h PHE 639 N 1.03 0.37 -0.37 -3.82 -1.00 -1.70 0.96 116.94 112.42 2oup h PHE 639 Ca 0.25 0.02 -0.16 0.00 2.81 0.00 0.00 57.97 60.89 2oup h PHE 639 Cb 0.10 -0.10 -0.01 0.00 3.61 0.00 0.00 35.95 39.56 2oup h PHE 639 CO 0.01 0.17 -0.41 0.78 -1.61 0.00 0.00 178.31 177.24 2oup h GLY 640 N 0.41 1.01 0.97 -1.45 0.00 -1.79 -2.34 103.07 99.88 2oup h GLY 640 Ca 0.21 -1.05 -0.02 0.00 0.00 0.00 0.00 47.33 46.47 2oup h GLY 640 CO -0.17 0.95 0.24 -0.57 0.00 0.00 0.00 176.54 176.98 2oup h ASN 641 N 0.75 0.66 -0.45 0.19 -0.00 -0.83 -0.88 115.58 115.02 2oup h ASN 641 Ca 0.05 -0.13 -0.06 0.00 -0.00 0.00 0.00 56.30 56.16 2oup h ASN 641 Cb 1.01 -0.17 -0.02 0.00 -0.00 0.00 0.00 38.32 39.14 2oup h ASN 641 CO 0.10 0.61 0.03 -0.09 -0.00 0.00 0.00 177.43 178.07 2oup h ARG 642 N 0.67 0.77 -0.48 6.67 1.12 -0.82 -0.57 114.38 121.74 2oup h ARG 642 Ca 0.17 -0.23 0.01 0.00 -1.11 0.00 0.00 59.98 58.82 2oup h ARG 642 Cb 0.12 -0.08 -0.03 0.00 -0.01 0.00 0.00 29.97 29.98 2oup h ARG 642 CO -0.02 0.82 0.31 -0.22 -3.11 0.00 0.00 179.97 177.75 2oup h LYS 643 N 0.62 0.60 -0.31 0.20 3.64 -1.22 0.17 116.57 120.28 2oup h LYS 643 Ca 0.13 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 2oup h LYS 643 Cb 0.45 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 2oup h LYS 643 CO 0.02 0.40 0.14 1.96 -2.27 0.00 0.00 179.45 179.70 2oup h GLN 644 N 0.62 0.46 -0.69 1.90 1.08 -0.99 -2.25 115.11 115.25 2oup h GLN 644 Ca 0.18 -0.07 -0.06 0.00 -1.45 0.00 0.00 58.65 57.24 2oup h GLN 644 Cb -0.04 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.28 2oup h GLN 644 CO -0.06 0.44 0.17 -0.07 -0.95 0.00 0.00 178.83 178.37 2oup h LEU 645 N 0.36 1.03 -0.59 1.46 3.38 -0.84 -0.92 115.31 119.20 2oup h LEU 645 Ca 0.11 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2oup h LEU 645 Cb 0.15 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 2oup h LEU 645 CO -0.01 0.99 0.37 -0.08 0.09 0.00 0.00 178.44 179.80 2oup h GLU 646 N 1.02 0.78 -0.36 1.13 4.57 -0.85 0.10 114.58 120.98 2oup h GLU 646 Ca 0.22 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.31 2oup h GLU 646 Cb 0.36 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.76 2oup h GLU 646 CO 0.00 0.55 0.13 1.49 -1.18 0.00 0.00 179.01 180.00 2oup h GLU 647 N 0.79 0.55 -0.80 1.92 4.57 -1.13 0.30 114.58 120.78 2oup h GLU 647 Ca 0.21 -0.11 -0.02 0.00 -1.18 0.00 0.00 59.36 58.26 2oup h GLU 647 Cb -0.05 -0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 28.42 2oup h GLU 647 CO -0.04 0.54 0.41 0.52 -1.18 0.00 0.00 179.01 179.26 2oup h MET 648 N 0.43 1.13 0.03 1.92 2.86 -0.81 -1.13 114.93 119.37 2oup h MET 648 Ca 0.12 -0.15 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2oup h MET 648 Cb 0.21 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.66 2oup h MET 648 CO -0.01 0.86 -0.01 -0.92 1.06 0.00 0.00 176.91 177.89 2oup h TYR 649 N 1.12 -0.03 -0.46 -0.22 3.20 -0.52 0.17 116.97 120.21 2oup h TYR 649 Ca 0.28 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.09 2oup h TYR 649 Cb 0.08 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.34 2oup h TYR 649 CO 0.01 0.21 0.06 1.96 -1.64 0.00 0.00 178.16 178.76 2oup h GLN 650 N -0.27 0.72 -0.00 1.82 4.20 -0.79 -2.55 115.11 118.24 2oup h GLN 650 Ca -0.00 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.55 2oup h GLN 650 Cb 0.26 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.93 2oup h GLN 650 CO 0.01 0.69 -0.24 0.25 -0.67 0.00 0.00 178.83 178.86 2oup n THR 651 N -4.26 0.00 -1.05 -0.54 -2.24 -0.44 -4.93 114.28 100.82 2oup n THR 651 Ca 0.03 -0.02 -0.02 0.00 -2.27 0.00 0.00 64.05 61.77 2oup n THR 651 Cb 0.25 -0.06 -0.01 0.00 -2.10 0.00 0.00 70.33 68.41 2oup n THR 651 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2oup n GLY 652 N 1.45 0.49 0.01 3.38 0.00 -0.76 -4.92 105.19 104.84 2oup n GLY 652 Ca 0.08 -1.02 0.11 0.00 0.00 0.00 0.00 46.02 45.20 2oup n GLY 652 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2oup n SER 653 N 1.76 0.65 -4.67 1.61 3.41 -0.04 -4.91 113.62 111.43 2oup n SER 653 Ca -0.02 -0.38 -0.47 0.00 -0.26 0.00 0.00 58.87 57.75 2oup n SER 653 Cb 0.05 0.56 -0.04 0.00 -0.26 0.00 0.00 64.21 64.52 2oup n SER 653 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2oup n LEU 654 N -1.66 3.27 -3.62 1.04 7.94 -0.70 -4.95 117.00 118.31 2oup n LEU 654 Ca 0.04 1.04 -0.27 0.00 -1.11 0.00 0.00 56.01 55.71 2oup n LEU 654 Cb 0.37 -1.41 -0.17 0.00 0.53 0.00 0.00 43.42 42.74 2oup n LEU 654 CO 0.38 -0.18 -0.34 0.21 -1.11 0.00 0.00 177.39 176.36 2oup s ASN 655 N 2.14 2.54 0.00 1.96 3.04 -1.26 -5.01 114.94 118.36 2oup s ASN 655 Ca 0.84 -0.71 0.14 0.00 0.04 0.00 0.00 52.86 53.17 2oup s ASN 655 Cb -0.67 -0.31 0.71 0.00 -1.54 0.00 0.00 41.25 39.44 2oup s ASN 655 CO 0.43 -0.35 1.35 0.18 -3.04 0.00 0.00 177.10 175.67 2oup n LEU 656 N 5.24 0.00 -0.96 3.21 7.99 -1.26 -1.38 117.00 129.84 2oup n LEU 656 Ca -0.07 0.25 0.11 0.00 -0.01 0.00 0.00 56.01 56.30 2oup n LEU 656 Cb 0.48 -0.25 0.26 0.00 -0.11 0.00 0.00 43.42 43.79 2oup n LEU 656 CO 0.10 -0.14 0.72 -0.46 -1.51 0.00 0.00 177.39 176.10 2oup n ASN 657 N -1.25 2.89 -4.51 -1.43 6.94 -1.26 -4.68 115.26 111.95 2oup n ASN 657 Ca 0.07 -1.91 -0.42 0.00 -0.02 0.00 0.00 54.58 52.30 2oup n ASN 657 Cb 0.10 -0.19 -0.09 0.00 -2.36 0.00 0.00 39.78 37.24 2oup n ASN 657 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 2oup s ASN 658 N -1.55 6.18 0.26 0.53 3.04 -0.48 -4.98 114.94 117.94 2oup s ASN 658 Ca 0.36 -0.47 -0.02 0.00 0.04 0.00 0.00 52.86 52.77 2oup s ASN 658 Cb 0.21 -2.21 0.49 0.00 -1.54 0.00 0.00 41.25 38.21 2oup s ASN 658 CO 0.30 -0.45 1.78 -0.61 -3.04 0.00 0.00 177.10 175.07 2oup h GLN 659 N 8.59 0.65 -0.11 0.43 5.75 -1.85 0.05 115.11 128.61 2oup h GLN 659 Ca -0.28 -0.04 -0.05 0.00 -0.15 0.00 0.00 58.65 58.14 2oup h GLN 659 Cb 1.13 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 29.52 2oup h GLN 659 CO 0.74 0.43 -0.14 0.66 -2.65 0.00 0.00 178.83 177.87 2oup h SER 660 N 0.67 0.16 -0.15 -0.69 4.64 -1.93 -0.06 113.55 116.18 2oup h SER 660 Ca 0.44 -0.03 -0.09 0.00 -0.47 0.00 0.00 61.79 61.65 2oup h SER 660 Cb 0.57 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.62 2oup h SER 660 CO -0.33 0.32 -0.24 0.45 -0.87 0.00 0.00 176.83 176.16 2oup h HIS 661 N 0.16 0.54 -0.54 4.77 3.86 -1.30 -2.55 115.15 120.09 2oup h HIS 661 Ca 0.03 -0.18 0.04 0.00 -1.16 0.00 0.00 60.37 59.10 2oup h HIS 661 Cb 0.35 -0.10 -0.04 0.00 1.06 0.00 0.00 27.41 28.67 2oup h HIS 661 CO 0.00 0.87 0.28 0.00 0.86 0.00 0.00 177.93 179.94 2oup h ARG 662 N 0.05 0.53 -0.70 2.45 3.08 -0.75 -0.85 114.38 118.18 2oup h ARG 662 Ca 0.01 -0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.10 2oup h ARG 662 Cb 0.82 -0.12 -0.06 0.00 0.08 0.00 0.00 29.97 30.69 2oup h ARG 662 CO 0.06 0.35 0.38 -0.44 -1.07 0.00 0.00 179.97 179.25 2oup h ASP 663 N 0.54 0.54 -0.56 7.04 3.32 -0.95 0.01 116.42 126.37 2oup h ASP 663 Ca 0.23 0.04 -0.11 0.00 0.02 0.00 0.00 57.03 57.21 2oup h ASP 663 Cb 0.13 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 2oup h ASP 663 CO -0.15 0.33 -0.09 0.03 -1.72 0.00 0.00 179.24 177.64 2oup h ARG 664 N 0.68 1.05 -0.44 3.56 3.08 -0.97 -0.42 114.38 120.91 2oup h ARG 664 Ca 0.33 -0.38 -0.04 0.00 0.07 0.00 0.00 59.98 59.96 2oup h ARG 664 Cb 0.26 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 2oup h ARG 664 CO -0.22 1.08 0.11 0.28 -1.07 0.00 0.00 179.97 180.15 2oup h VAL 665 N 0.94 1.23 -0.87 2.04 2.07 -0.61 -1.18 116.25 119.87 2oup h VAL 665 Ca 0.15 -0.80 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 2oup h VAL 665 Cb 0.66 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 31.29 2oup h VAL 665 CO 0.05 0.28 0.51 0.40 0.02 0.00 0.00 177.57 178.83 2oup h ILE 666 N 0.58 1.25 -0.82 4.57 2.04 -0.91 -0.73 117.51 123.50 2oup h ILE 666 Ca 0.14 -0.56 -0.00 0.00 1.00 0.00 0.00 64.86 65.43 2oup h ILE 666 Cb 0.31 0.03 -0.04 0.00 -0.74 0.00 0.00 36.82 36.39 2oup h ILE 666 CO 0.00 0.26 0.50 1.23 0.00 0.00 0.00 178.15 180.14 2oup h GLY 667 N 1.22 1.18 1.55 5.37 0.00 -0.44 -0.44 103.07 111.51 2oup h GLY 667 Ca 0.31 -0.49 -0.12 0.00 0.00 0.00 0.00 47.33 47.03 2oup h GLY 667 CO -0.06 0.47 -0.37 -2.00 0.00 0.00 0.00 176.54 174.59 2oup h LEU 668 N 1.12 0.52 -0.84 3.11 5.85 -0.60 -1.91 115.31 122.57 2oup h LEU 668 Ca 0.29 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 2oup h LEU 668 Cb -0.05 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.79 2oup h LEU 668 CO -0.06 0.85 0.45 0.24 -0.34 0.00 0.00 178.44 179.58 2oup h MET 669 N 0.42 1.18 -0.55 1.25 2.86 -0.54 -0.36 114.93 119.19 2oup h MET 669 Ca 0.04 -0.14 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 2oup h MET 669 Cb 0.84 -0.23 -0.03 0.00 0.06 0.00 0.00 31.60 32.24 2oup h MET 669 CO 0.07 0.87 0.31 0.52 1.06 0.00 0.00 176.91 179.74 2oup h MET 670 N 1.17 0.75 -0.18 1.72 2.86 -0.58 -0.53 114.93 120.14 2oup h MET 670 Ca 0.29 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.85 2oup h MET 670 Cb 0.04 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.54 2oup h MET 670 CO -0.05 0.57 0.11 1.15 1.06 0.00 0.00 176.91 179.75 2oup h THR 671 N 0.73 1.06 -0.93 2.22 2.02 -1.01 0.32 112.91 117.32 2oup h THR 671 Ca 0.19 -0.14 0.08 0.00 0.77 0.00 0.00 66.41 67.31 2oup h THR 671 Cb 0.03 0.84 -0.07 0.00 -1.74 0.00 0.00 68.15 67.20 2oup h THR 671 CO -0.03 0.06 0.59 0.00 0.37 0.00 0.00 175.52 176.50 2oup h ALA 672 N 1.04 1.32 -0.21 6.16 0.00 -0.70 -1.06 119.26 125.81 2oup h ALA 672 Ca 0.06 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.77 2oup h ALA 672 Cb -0.00 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.55 2oup h ALA 672 CO -0.01 0.30 -0.65 0.00 0.00 0.00 0.00 179.25 178.89 2oup h ASP 674 N 0.57 0.39 -0.45 0.00 3.58 -0.35 -2.63 116.42 117.53 2oup h ASP 674 Ca -0.02 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.37 2oup h ASP 674 Cb 1.27 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 42.22 2oup h ASP 674 CO 0.14 0.45 0.00 0.18 -2.88 0.00 0.00 179.24 177.13 2oup n LEU 675 N -4.32 3.17 0.00 2.28 4.77 -0.46 -4.66 117.00 117.79 2oup n LEU 675 Ca 0.01 -1.45 0.00 0.00 -0.03 0.00 0.00 56.01 54.54 2oup n LEU 675 Cb 0.21 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 2oup n LEU 675 CO 0.38 0.73 0.44 0.00 -1.33 0.00 0.00 177.39 177.61 2oup h SER 677 N 0.00 0.00 0.00 0.00 4.64 -1.85 0.57 113.55 116.91 2oup h SER 677 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2oup h SER 677 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 2oup h SER 677 CO 0.00 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.29 2oup n VAL 678 N -4.16 0.00 -0.05 0.95 0.24 -0.76 -2.85 118.33 111.70 2oup n VAL 678 Ca -0.02 0.00 0.03 0.00 -2.04 0.00 0.00 64.34 62.31 2oup n VAL 678 Cb 0.11 -0.51 0.09 0.00 -1.47 0.00 0.00 33.84 32.06 2oup n VAL 678 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2oup n THR 679 N -0.93 0.86 -2.55 3.34 -2.24 0.19 -3.73 114.28 109.22 2oup n THR 679 Ca 0.18 -0.93 -0.24 0.00 -2.27 0.00 0.00 64.05 60.78 2oup n THR 679 Cb 0.08 0.59 0.12 0.00 -2.10 0.00 0.00 70.33 69.02 2oup n THR 679 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2oup s LYS 680 N -0.94 1.49 0.52 -0.78 -0.14 -1.13 -4.70 119.74 114.06 2oup s LYS 680 Ca 0.14 -1.13 -0.21 0.00 -1.36 0.00 0.00 55.97 53.41 2oup s LYS 680 Cb 0.07 -2.28 -0.06 0.00 -1.68 0.00 0.00 37.83 33.88 2oup s LYS 680 CO 0.10 -1.60 1.19 -0.51 -0.76 0.00 0.00 175.35 173.77 2oup s LEU 681 N -5.23 3.85 0.26 3.17 1.43 -1.26 -4.69 118.68 116.22 2oup s LEU 681 Ca 0.68 2.36 -0.05 0.00 -1.03 0.00 0.00 54.13 56.08 2oup s LEU 681 Cb -0.04 -4.41 0.51 0.00 0.03 0.00 0.00 46.19 42.28 2oup s LEU 681 CO 0.46 -1.23 1.61 -0.25 0.23 0.00 0.00 176.35 177.16 2oup h TRP 682 N 1.51 -0.15 -0.54 0.29 -0.00 -1.96 0.12 115.95 115.22 2oup h TRP 682 Ca -0.50 0.07 0.04 0.00 -0.00 0.00 0.00 58.89 58.50 2oup h TRP 682 Cb 1.27 0.20 -0.03 0.00 -0.00 0.00 0.00 29.16 30.60 2oup h TRP 682 CO 0.50 -0.32 0.36 -1.35 -0.00 0.00 0.00 178.44 177.63 2oup h PRO 683 N 0.05 0.56 -0.11 2.65 0.11 -1.99 0.85 132.00 134.13 2oup h PRO 683 Ca 0.46 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.48 2oup h PRO 683 Cb 0.83 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.82 2oup h PRO 683 CO -0.79 0.37 -0.18 0.28 -0.21 0.00 0.00 178.00 177.47 2oup h VAL 684 N 0.57 1.38 -0.85 3.15 2.07 -1.35 -2.02 116.25 119.20 2oup h VAL 684 Ca 0.22 -1.44 0.05 0.00 0.82 0.00 0.00 66.70 66.35 2oup h VAL 684 Cb 0.17 2.07 -0.06 0.00 -1.52 0.00 0.00 31.29 31.95 2oup h VAL 684 CO -0.06 0.41 0.54 0.74 0.02 0.00 0.00 177.57 179.22 2oup h THR 685 N -0.12 1.09 -0.40 2.57 2.02 -0.79 -0.94 112.91 116.35 2oup h THR 685 Ca 0.01 -0.35 -0.13 0.00 0.77 0.00 0.00 66.41 66.71 2oup h THR 685 Cb 0.75 -0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 2oup h THR 685 CO 0.04 0.18 -0.26 0.50 0.37 0.00 0.00 175.52 176.35 2oup h LYS 686 N 1.01 0.88 -0.45 6.66 3.64 -0.83 -1.66 116.57 125.81 2oup h LYS 686 Ca 0.36 -0.41 -0.11 0.00 -1.27 0.00 0.00 60.65 59.21 2oup h LYS 686 Cb 0.09 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 2oup h LYS 686 CO -0.15 1.06 -0.17 -0.07 -2.27 0.00 0.00 179.45 177.85 2oup h LEU 687 N 0.69 0.89 -0.90 5.20 3.38 -1.00 -2.76 115.31 120.80 2oup h LEU 687 Ca 0.08 -0.31 -0.09 0.00 0.09 0.00 0.00 57.88 57.65 2oup h LEU 687 Cb 0.84 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 2oup h LEU 687 CO 0.07 1.05 -0.20 0.74 0.09 0.00 0.00 178.44 180.19 2oup h THR 688 N 0.78 1.26 -0.50 0.22 2.02 -1.08 -2.26 112.91 113.34 2oup h THR 688 Ca 0.11 -1.22 -0.00 0.00 0.77 0.00 0.00 66.41 66.07 2oup h THR 688 Cb 0.71 1.24 -0.02 0.00 -1.74 0.00 0.00 68.15 68.33 2oup h THR 688 CO 0.05 0.40 0.30 0.00 0.37 0.00 0.00 175.52 176.64 2oup h ALA 689 N 1.26 1.59 -0.77 6.16 0.00 -1.05 -1.29 119.26 125.16 2oup h ALA 689 Ca 0.08 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.97 2oup h ALA 689 Cb 0.64 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 2oup h ALA 689 CO 0.05 0.36 0.48 -0.91 0.00 0.00 0.00 179.25 179.22 2oup h ASN 690 N 0.69 0.78 -0.43 0.00 -0.26 -1.13 -1.03 115.58 114.20 2oup h ASN 690 Ca 0.18 0.00 -0.13 0.00 -0.56 0.00 0.00 56.30 55.80 2oup h ASN 690 Cb -0.03 -0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 37.06 2oup h ASN 690 CO -0.03 0.53 -0.23 0.44 -1.06 0.00 0.00 177.43 177.07 2oup h ASP 691 N 0.92 0.94 -0.33 5.81 3.32 -1.23 -1.01 116.42 124.84 2oup h ASP 691 Ca 0.31 -0.41 0.02 0.00 0.02 0.00 0.00 57.03 56.98 2oup h ASP 691 Cb 0.05 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.31 2oup h ASP 691 CO -0.13 1.15 0.16 0.40 -1.72 0.00 0.00 179.24 179.11 2oup h ILE 692 N 0.74 0.99 -0.07 0.35 2.04 -0.90 -2.10 117.51 118.55 2oup h ILE 692 Ca 0.09 -0.12 -0.16 0.00 1.00 0.00 0.00 64.86 65.68 2oup h ILE 692 Cb 0.80 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 2oup h ILE 692 CO 0.07 0.06 -0.65 1.88 0.00 0.00 0.00 178.15 179.51 2oup h TYR 693 N 0.34 0.36 -1.00 1.37 -1.99 -1.12 -2.00 116.97 112.94 2oup h TYR 693 Ca 0.14 -0.15 0.08 0.00 2.00 0.00 0.00 58.73 60.80 2oup h TYR 693 Cb 0.05 -0.06 -0.07 0.00 2.00 0.00 0.00 36.73 38.65 2oup h TYR 693 CO -0.10 0.85 0.64 0.00 -0.00 0.00 0.00 178.16 179.55 2oup h ALA 694 N 1.11 1.41 -0.18 3.88 0.00 -0.85 0.24 119.26 124.86 2oup h ALA 694 Ca -0.01 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 2oup h ALA 694 Cb 1.18 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 2oup h ALA 694 CO 0.10 0.39 -0.13 1.49 0.00 0.00 0.00 179.25 181.11 2oup h GLU 695 N 1.13 0.41 -0.54 0.00 4.81 -1.11 -2.83 114.58 116.45 2oup h GLU 695 Ca 0.44 -0.20 0.03 0.00 -0.13 0.00 0.00 59.36 59.51 2oup h GLU 695 Cb 0.23 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.57 2oup h GLU 695 CO -0.19 0.74 0.32 0.74 -0.73 0.00 0.00 179.01 179.89 2oup h PHE 696 N 0.08 0.60 -0.38 0.92 0.04 -0.61 -2.46 116.94 115.14 2oup h PHE 696 Ca 0.04 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.81 2oup h PHE 696 Cb 0.64 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 38.58 2oup h PHE 696 CO 0.07 0.34 0.17 -1.49 -0.60 0.00 0.00 178.31 176.80 2oup h TRP 697 N 0.64 0.52 -0.30 -0.55 6.55 -0.55 -0.75 115.95 121.51 2oup h TRP 697 Ca 0.22 -0.01 -0.09 0.00 0.95 0.00 0.00 58.89 59.96 2oup h TRP 697 Cb 0.04 -0.17 -0.01 0.00 -0.86 0.00 0.00 29.16 28.16 2oup h TRP 697 CO -0.07 0.40 -0.20 0.00 -1.05 0.00 0.00 178.44 177.52 2oup h ALA 698 N 1.66 1.10 -0.30 1.49 0.00 -1.19 -0.81 119.26 121.22 2oup h ALA 698 Ca 0.13 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 2oup h ALA 698 Cb 0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2oup h ALA 698 CO -0.02 0.55 -0.24 1.49 0.00 0.00 0.00 179.25 181.03 2oup h GLU 699 N 0.49 0.69 -0.55 0.00 4.81 -1.05 -2.80 114.58 116.18 2oup h GLU 699 Ca 0.08 -0.34 -0.00 0.00 -0.13 0.00 0.00 59.36 58.96 2oup h GLU 699 Cb 0.62 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.97 2oup h GLU 699 CO 0.04 0.95 0.32 0.78 -0.73 0.00 0.00 179.01 180.37 2oup h GLY 700 N 0.43 0.79 1.02 1.92 0.00 -0.84 -1.74 103.07 104.65 2oup h GLY 700 Ca 0.05 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 2oup h GLY 700 CO 0.06 0.31 0.44 -0.55 0.00 0.00 0.00 176.54 176.80 2oup h ASP 701 N 0.75 1.00 -0.20 0.19 3.32 -0.96 -2.09 116.42 118.44 2oup h ASP 701 Ca 0.20 -0.10 -0.13 0.00 0.02 0.00 0.00 57.03 57.02 2oup h ASP 701 Cb -0.01 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 2oup h ASP 701 CO -0.04 0.81 -0.31 -0.33 -1.72 0.00 0.00 179.24 177.66 2oup h GLU 702 N 1.11 0.70 -0.83 3.56 4.39 -1.12 -2.95 114.58 119.44 2oup h GLU 702 Ca 0.28 -0.31 -0.04 0.00 0.34 0.00 0.00 59.36 59.63 2oup h GLU 702 Cb 0.04 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.63 2oup h GLU 702 CO -0.04 0.92 0.38 0.52 -1.16 0.00 0.00 179.01 179.62 2oup h MET 703 N 0.59 1.21 -0.55 2.33 2.86 -0.96 -2.19 114.93 118.23 2oup h MET 703 Ca 0.07 -0.19 -0.04 0.00 -2.06 0.00 0.00 59.70 57.48 2oup h MET 703 Cb 0.82 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 32.24 2oup h MET 703 CO 0.07 0.94 0.18 0.87 1.06 0.00 0.00 176.91 180.03 2oup h LYS 704 N 1.19 0.81 0.00 1.72 1.57 -1.26 -1.02 116.57 119.58 2oup h LYS 704 Ca 0.28 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.90 2oup h LYS 704 Cb 0.15 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.32 2oup h LYS 704 CO -0.03 0.69 -0.14 0.87 -0.57 0.00 0.00 179.45 180.27 2oup h LYS 705 N 0.79 0.00 -0.62 3.15 1.57 -1.24 -1.28 116.57 118.93 2oup h LYS 705 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 2oup h LYS 705 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 2oup h LYS 705 CO -0.01 0.14 0.00 1.28 -0.57 0.00 0.00 179.45 180.29 2oup n LEU 706 N -3.81 3.85 -0.04 2.94 4.77 -0.61 -4.93 117.00 119.17 2oup n LEU 706 Ca -0.02 -1.94 -0.01 0.00 -0.03 0.00 0.00 56.01 54.01 2oup n LEU 706 Cb 0.24 -0.50 -0.00 0.00 -2.33 0.00 0.00 43.42 40.82 2oup n LEU 706 CO 0.32 0.69 -0.01 0.61 -1.33 0.00 0.00 177.39 177.67 2oup n GLY 707 N 1.04 0.47 3.33 -0.72 0.00 -0.48 -5.03 105.19 103.79 2oup n GLY 707 Ca 0.21 -0.20 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 2oup n GLY 707 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2oup s ILE 708 N -1.92 3.13 0.03 -0.61 1.01 -0.49 -4.99 121.20 117.36 2oup s ILE 708 Ca 0.00 -0.60 -0.30 0.00 0.00 0.00 0.00 60.65 59.74 2oup s ILE 708 Cb 0.00 -2.37 -0.07 0.00 0.01 0.00 0.00 42.46 40.04 2oup s ILE 708 CO 0.00 0.48 1.47 -1.58 0.00 0.00 0.00 174.94 175.32 2oup s GLN 709 N 0.89 4.26 0.78 2.79 2.00 -1.26 -3.18 119.66 125.94 2oup s GLN 709 Ca -0.02 2.08 -0.11 0.00 -2.00 0.00 0.00 55.36 55.31 2oup s GLN 709 Cb -0.15 -3.55 0.06 0.00 0.80 0.00 0.00 33.01 30.18 2oup s GLN 709 CO 0.00 -0.61 1.08 -1.25 -0.50 0.00 0.00 175.29 174.02 2oup s PRO 710 N 2.33 2.21 0.77 1.67 0.04 -1.26 -5.00 135.00 135.76 2oup s PRO 710 Ca 0.67 0.86 -0.13 0.00 0.04 0.00 0.00 61.00 62.43 2oup s PRO 710 Cb -0.34 -1.91 0.06 0.00 0.04 0.00 0.00 34.50 32.34 2oup s PRO 710 CO 0.28 -1.59 1.18 0.96 0.04 0.00 0.00 177.00 177.87 2oup s ILE 711 N -3.04 2.40 0.37 0.56 -4.36 -1.26 -4.81 121.20 111.06 2oup s ILE 711 Ca 0.61 0.17 0.11 0.00 -0.26 0.00 0.00 60.65 61.28 2oup s ILE 711 Cb -0.15 -2.61 0.33 0.00 1.25 0.00 0.00 42.46 41.28 2oup s ILE 711 CO 0.55 -0.13 1.87 -0.65 0.24 0.00 0.00 174.94 176.83 2oup h PRO 712 N -0.71 0.59 -0.06 0.37 0.11 -1.94 -1.18 132.00 129.18 2oup h PRO 712 Ca -0.46 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 65.63 2oup h PRO 712 Cb 1.28 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 2oup h PRO 712 CO 0.48 0.39 0.05 1.98 -0.21 0.00 0.00 178.00 180.69 2oup h MET 713 N 0.61 0.00 -0.57 1.05 4.05 -1.91 -1.53 114.93 116.63 2oup h MET 713 Ca 0.45 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.87 2oup h MET 713 Cb 0.81 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.61 2oup h MET 713 CO -0.20 0.00 0.00 -1.33 0.23 0.00 0.00 176.91 175.61 2oup n MET 714 N -4.45 2.63 -3.43 0.39 2.81 -0.46 -4.66 117.12 109.94 2oup n MET 714 Ca -0.02 -2.47 -0.43 0.00 -1.81 0.00 0.00 57.70 52.98 2oup n MET 714 Cb 0.15 -1.52 -0.10 0.00 -0.71 0.00 0.00 33.22 31.04 2oup n MET 714 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2oup s ASP 715 N -1.17 6.13 0.13 7.83 -1.08 -0.58 -3.57 116.67 124.36 2oup s ASP 715 Ca 0.43 -0.78 0.15 0.00 -0.52 0.00 0.00 52.55 51.83 2oup s ASP 715 Cb 0.23 -2.17 0.68 0.00 -1.46 0.00 0.00 42.92 40.20 2oup s ASP 715 CO 0.31 -0.46 1.46 -2.11 0.52 0.00 0.00 175.17 174.90 2oup n ARG 716 N 5.27 0.08 -0.15 4.34 1.85 -1.26 -1.05 116.66 125.74 2oup n ARG 716 Ca -0.10 0.42 0.09 0.00 -1.00 0.00 0.00 57.85 57.26 2oup n ARG 716 Cb 0.47 -1.68 0.28 0.00 -1.05 0.00 0.00 32.46 30.48 2oup n ARG 716 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2oup n ASP 717 N -1.84 2.16 -1.73 2.89 10.43 -1.26 -4.03 116.55 123.17 2oup n ASP 717 Ca 0.01 -1.86 -0.06 0.00 2.57 0.00 0.00 54.79 55.45 2oup n ASP 717 Cb 0.12 -0.20 0.08 0.00 1.84 0.00 0.00 41.12 42.97 2oup n ASP 717 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 2oup n LYS 718 N 0.66 2.05 0.30 -1.24 5.02 -0.21 -4.84 118.16 119.90 2oup n LYS 718 Ca 0.16 -3.43 0.17 0.00 -2.02 0.00 0.00 58.31 53.19 2oup n LYS 718 Cb 0.38 -1.57 0.97 0.00 -0.02 0.00 0.00 35.03 34.79 2oup n LYS 718 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2oup h LYS 719 N 1.76 0.00 0.00 1.97 1.57 -1.70 -1.82 116.57 118.35 2oup h LYS 719 Ca 0.06 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2oup h LYS 719 Cb 1.40 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.71 2oup h LYS 719 CO 0.32 0.02 -0.01 -0.44 -0.57 0.00 0.00 179.45 178.77 2oup h ASP 720 N 0.00 0.00 0.26 0.86 3.32 -1.94 -1.81 116.42 117.12 2oup h ASP 720 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2oup h ASP 720 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 2oup h ASP 720 CO 0.00 0.01 -0.13 -0.62 -1.72 0.00 0.00 179.24 176.78 2oup n GLU 721 N -3.13 0.86 -0.10 3.56 1.02 -0.68 -4.39 120.64 117.77 2oup n GLU 721 Ca -0.02 -0.38 -0.09 0.00 -0.02 0.00 0.00 57.16 56.65 2oup n GLU 721 Cb 0.15 -1.49 -0.01 0.00 -0.02 0.00 0.00 31.44 30.07 2oup n GLU 721 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2oup h VAL 722 N 0.94 1.11 -0.76 2.62 2.07 -1.48 -1.56 116.25 119.19 2oup h VAL 722 Ca 0.00 -0.26 0.05 0.00 0.82 0.00 0.00 66.70 67.31 2oup h VAL 722 Cb 0.40 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 30.80 2oup h VAL 722 CO 0.00 0.11 0.46 -0.65 0.02 0.00 0.00 177.57 177.51 2oup h PRO 723 N 0.43 0.84 -0.18 1.57 0.11 -1.80 0.19 132.00 133.15 2oup h PRO 723 Ca 0.12 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 66.07 2oup h PRO 723 Cb 0.01 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 30.92 2oup h PRO 723 CO -0.02 0.55 -0.37 0.37 -0.21 0.00 0.00 178.00 178.32 2oup h GLN 724 N 0.86 0.40 -0.47 1.05 5.75 -1.83 -1.39 115.11 119.48 2oup h GLN 724 Ca 0.33 -0.19 -0.08 0.00 -0.15 0.00 0.00 58.65 58.56 2oup h GLN 724 Cb 0.13 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.65 2oup h GLN 724 CO -0.16 0.72 -0.03 0.78 -2.65 0.00 0.00 178.83 177.50 2oup h GLY 725 N 1.12 0.86 0.89 2.39 0.00 -0.15 -1.44 103.07 106.74 2oup h GLY 725 Ca 0.04 -0.59 -0.07 0.00 0.00 0.00 0.00 47.33 46.70 2oup h GLY 725 CO 0.07 0.55 -0.11 1.46 0.00 0.00 0.00 176.54 178.50 2oup h GLN 726 N 0.74 0.57 -0.78 4.80 1.08 -0.29 -1.58 115.11 119.65 2oup h GLN 726 Ca 0.14 -0.24 0.08 0.00 -1.45 0.00 0.00 58.65 57.18 2oup h GLN 726 Cb 0.49 -0.02 -0.07 0.00 -0.05 0.00 0.00 27.48 27.83 2oup h GLN 726 CO 0.02 0.80 0.45 1.25 -0.95 0.00 0.00 178.83 180.40 2oup h LEU 727 N 0.32 0.66 -0.74 1.46 5.85 -1.06 0.27 115.31 122.08 2oup h LEU 727 Ca 0.07 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.78 2oup h LEU 727 Cb 0.62 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 2oup h LEU 727 CO 0.04 0.40 0.29 1.23 -0.34 0.00 0.00 178.44 180.05 2oup h GLY 728 N 0.78 1.19 0.98 3.75 0.00 -1.06 -0.93 103.07 107.78 2oup h GLY 728 Ca 0.37 -0.65 -0.07 0.00 0.00 0.00 0.00 47.33 46.97 2oup h GLY 728 CO -0.22 0.61 -0.01 -2.75 0.00 0.00 0.00 176.54 174.17 2oup h PHE 729 N 1.06 0.87 -0.62 5.60 3.57 -0.27 -1.17 116.94 125.98 2oup h PHE 729 Ca 0.24 -0.16 -0.06 0.00 3.53 0.00 0.00 57.97 61.53 2oup h PHE 729 Cb 0.22 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 2oup h PHE 729 CO 0.02 0.85 0.17 1.88 -2.23 0.00 0.00 178.31 179.00 2oup h TYR 730 N 0.63 1.03 -0.21 0.41 -1.99 -0.74 0.20 116.97 116.30 2oup h TYR 730 Ca 0.12 -0.11 -0.17 0.00 2.00 0.00 0.00 58.73 60.57 2oup h TYR 730 Cb 0.51 -0.29 -0.00 0.00 2.00 0.00 0.00 36.73 38.95 2oup h TYR 730 CO 0.04 0.85 -0.54 -0.91 -0.00 0.00 0.00 178.16 177.60 2oup h ASN 731 N 0.90 0.70 0.73 3.88 2.35 -1.08 0.12 115.58 123.19 2oup h ASN 731 Ca 0.20 -0.37 -0.05 0.00 -0.55 0.00 0.00 56.30 55.53 2oup h ASN 731 Cb 0.33 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 2oup h ASN 731 CO -0.00 1.10 -1.30 0.00 -1.65 0.00 0.00 177.43 175.58 2oup n ALA 732 N -2.53 2.42 0.04 -0.83 0.00 -0.45 -4.52 120.51 114.64 2oup n ALA 732 Ca -0.03 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.03 2oup n ALA 732 Cb 0.61 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 19.07 2oup n ALA 732 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2oup n VAL 733 N -2.65 0.53 0.34 0.00 0.31 0.67 -4.82 118.33 112.71 2oup n VAL 733 Ca -0.04 0.18 -0.18 0.00 -0.01 0.00 0.00 64.34 64.29 2oup n VAL 733 Cb 0.63 -1.06 -0.09 0.00 -0.91 0.00 0.00 33.84 32.41 2oup n VAL 733 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2oup h ALA 734 N 0.00 -0.89 -0.24 3.52 0.00 -1.43 -1.91 119.26 118.31 2oup h ALA 734 Ca 0.00 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.75 2oup h ALA 734 Cb 0.00 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2oup h ALA 734 CO 0.00 -1.01 0.09 0.82 0.00 0.00 0.00 179.25 179.15 2oup h ILE 735 N -0.88 0.94 -0.64 0.00 1.08 -1.02 -1.96 117.51 115.02 2oup h ILE 735 Ca -0.08 -0.07 -0.01 0.00 -0.39 0.00 0.00 64.86 64.31 2oup h ILE 735 Cb 0.70 0.73 -0.03 0.00 -3.07 0.00 0.00 36.82 35.14 2oup h ILE 735 CO 0.11 0.04 0.37 -0.65 -0.69 0.00 0.00 178.15 177.32 2oup h PRO 736 N 0.20 0.88 0.50 2.37 0.11 -1.75 -0.51 132.00 133.79 2oup h PRO 736 Ca 0.11 -0.08 -0.02 0.00 0.11 0.00 0.00 66.00 66.11 2oup h PRO 736 Cb 0.07 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.00 2oup h PRO 736 CO -0.11 0.63 -0.24 0.00 -0.21 0.00 0.00 178.00 178.08 2oup h TYR 738 N -0.71 0.00 -0.10 0.00 -1.99 -1.23 -0.86 116.97 112.08 2oup h TYR 738 Ca -0.07 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.63 2oup h TYR 738 Cb 0.53 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.26 2oup h TYR 738 CO -0.03 0.13 -0.07 1.15 -0.00 0.00 0.00 178.16 179.34 2oup h THR 739 N 0.00 1.34 -0.40 -2.88 2.02 -0.85 -1.08 112.91 111.06 2oup h THR 739 Ca -0.00 -1.15 -0.14 0.00 0.77 0.00 0.00 66.41 65.89 2oup h THR 739 Cb 0.65 1.89 -0.01 0.00 -1.74 0.00 0.00 68.15 68.94 2oup h THR 739 CO 0.02 0.33 -0.30 0.74 0.37 0.00 0.00 175.52 176.67 2oup h THR 740 N -0.16 1.27 -0.88 3.16 2.02 -1.12 -2.27 112.91 114.94 2oup h THR 740 Ca 0.02 -1.46 -0.01 0.00 0.77 0.00 0.00 66.41 65.72 2oup h THR 740 Cb 0.55 1.28 -0.04 0.00 -1.74 0.00 0.00 68.15 68.20 2oup h THR 740 CO 0.02 0.49 0.49 0.25 0.37 0.00 0.00 175.52 177.14 2oup h LEU 741 N 0.74 1.09 -1.04 2.58 5.85 -1.14 -2.03 115.31 121.36 2oup h LEU 741 Ca 0.08 -0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.62 2oup h LEU 741 Cb 0.86 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 2oup h LEU 741 CO 0.08 0.87 -0.27 0.74 -0.34 0.00 0.00 178.44 179.52 2oup h THR 742 N 1.22 1.26 -0.56 1.05 2.02 -0.96 0.30 112.91 117.25 2oup h THR 742 Ca 0.31 -1.23 -0.11 0.00 0.77 0.00 0.00 66.41 66.15 2oup h THR 742 Cb 0.01 1.41 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 2oup h THR 742 CO -0.05 0.38 -0.07 1.56 0.37 0.00 0.00 175.52 177.71 2oup h GLN 743 N 0.32 1.03 0.18 6.66 4.20 -0.91 -2.59 115.11 124.00 2oup h GLN 743 Ca 0.05 -0.36 -0.31 0.00 0.06 0.00 0.00 58.65 58.08 2oup h GLN 743 Cb 0.64 -0.07 0.03 0.00 0.30 0.00 0.00 27.48 28.38 2oup h GLN 743 CO 0.05 1.05 -1.35 0.82 -0.67 0.00 0.00 178.83 178.73 2oup h ILE 744 N 0.91 1.33 -2.97 2.54 2.04 -1.09 -3.40 117.51 116.88 2oup h ILE 744 Ca 0.15 -2.70 -0.61 0.00 1.00 0.00 0.00 64.86 62.69 2oup h ILE 744 Cb 0.63 2.90 -0.40 0.00 -0.74 0.00 0.00 36.82 39.21 2oup h ILE 744 CO 0.04 0.81 -0.71 -0.76 0.00 0.00 0.00 178.15 177.53 2oup s LEU 745 N -7.58 3.42 0.34 1.44 1.43 0.10 -5.01 118.68 112.82 2oup s LEU 745 Ca -0.08 -3.16 0.13 0.00 -1.03 0.00 0.00 54.13 49.99 2oup s LEU 745 Cb 0.05 -1.22 1.06 0.00 0.03 0.00 0.00 46.19 46.11 2oup s LEU 745 CO 0.93 -0.18 1.66 -0.65 0.23 0.00 0.00 176.35 178.33 2oup h PRO 746 N 6.07 0.29 0.00 1.29 0.11 -1.68 -0.84 132.00 137.24 2oup h PRO 746 Ca 0.08 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.17 2oup h PRO 746 Cb 0.86 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.91 2oup h PRO 746 CO 0.57 0.19 0.03 -1.35 -0.21 0.00 0.00 178.00 177.23 2oup h PRO 747 N 0.30 0.00 -0.09 1.05 0.11 -1.88 -1.64 132.00 129.85 2oup h PRO 747 Ca 0.72 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.83 2oup h PRO 747 Cb 1.64 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.75 2oup h PRO 747 CO -0.62 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 177.42 2oup n THR 748 N -2.64 0.12 -0.32 -1.15 -2.24 -0.32 -4.33 114.28 103.40 2oup n THR 748 Ca -0.02 -0.17 0.26 0.00 -2.27 0.00 0.00 64.05 61.84 2oup n THR 748 Cb 0.08 0.04 0.56 0.00 -2.10 0.00 0.00 70.33 68.91 2oup n THR 748 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2oup h GLU 749 N 1.04 0.29 -0.15 -0.78 4.81 -1.48 -0.60 114.58 117.71 2oup h GLU 749 Ca 0.00 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.26 2oup h GLU 749 Cb 0.23 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 2oup h GLU 749 CO 0.00 0.19 0.12 -1.35 -0.73 0.00 0.00 179.01 177.25 2oup h PRO 750 N 0.30 0.00 -0.30 0.92 0.11 -1.87 -1.41 132.00 129.75 2oup h PRO 750 Ca 0.59 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.61 2oup h PRO 750 Cb 1.69 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.79 2oup h PRO 750 CO -0.24 0.00 -0.17 -0.07 -0.21 0.00 0.00 178.00 177.30 2oup h LEU 751 N 0.00 0.68 -0.46 2.35 3.38 -1.45 -1.94 115.31 117.87 2oup h LEU 751 Ca 0.07 -0.42 -0.04 0.00 0.09 0.00 0.00 57.88 57.58 2oup h LEU 751 Cb 0.32 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2oup h LEU 751 CO -0.00 0.95 0.13 0.25 0.09 0.00 0.00 178.44 179.85 2oup h LEU 752 N 0.40 0.69 -0.64 1.67 5.85 -1.41 -0.93 115.31 120.95 2oup h LEU 752 Ca 0.06 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.57 2oup h LEU 752 Cb 0.71 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 2oup h LEU 752 CO 0.05 0.73 0.41 0.50 -0.34 0.00 0.00 178.44 179.79 2oup h LYS 753 N 0.61 0.85 -0.67 1.25 3.64 -1.24 -0.36 116.57 120.66 2oup h LYS 753 Ca 0.15 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 59.39 2oup h LYS 753 Cb 0.30 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 2oup h LYS 753 CO -0.00 0.57 0.12 0.00 -2.27 0.00 0.00 179.45 177.88 2oup h ALA 754 N 1.22 0.96 -0.47 5.00 0.00 -1.18 -1.54 119.26 123.25 2oup h ALA 754 Ca 0.23 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2oup h ALA 754 Cb -0.08 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 2oup h ALA 754 CO -0.05 0.66 0.15 0.00 0.00 0.00 0.00 179.25 180.01 2oup h ARG 756 N 0.62 1.20 -0.60 0.00 3.08 -0.84 -0.33 114.38 117.51 2oup h ARG 756 Ca 0.15 -0.09 -0.04 0.00 0.07 0.00 0.00 59.98 60.07 2oup h ARG 756 Cb 0.26 -0.26 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 2oup h ARG 756 CO -0.01 0.82 0.21 -0.44 -1.07 0.00 0.00 179.97 179.48 2oup h ASP 757 N 1.23 0.85 0.38 7.04 3.32 -0.85 -2.20 116.42 126.19 2oup h ASP 757 Ca 0.32 -0.19 -0.11 0.00 0.02 0.00 0.00 57.03 57.08 2oup h ASP 757 Cb -0.09 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.22 2oup h ASP 757 CO -0.07 0.81 -0.46 0.78 -1.72 0.00 0.00 179.24 178.59 2oup h ASN 758 N 0.84 0.11 -0.44 6.45 2.35 -0.65 -1.69 115.58 122.56 2oup h ASN 758 Ca 0.19 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 2oup h ASN 758 Cb 0.25 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.57 2oup h ASN 758 CO -0.01 0.56 0.28 0.25 -1.65 0.00 0.00 177.43 176.86 2oup h LEU 759 N 0.09 0.52 -1.49 1.61 5.85 -0.78 -1.07 115.31 120.05 2oup h LEU 759 Ca 0.00 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.69 2oup h LEU 759 Cb 0.85 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.72 2oup h LEU 759 CO 0.06 0.41 0.35 0.28 -0.34 0.00 0.00 178.44 179.20 2oup h SER 760 N 0.59 0.59 -0.50 1.25 0.02 -0.93 -1.16 113.55 113.41 2oup h SER 760 Ca 0.16 -0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 61.04 2oup h SER 760 Cb -0.03 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.34 2oup h SER 760 CO -0.03 0.43 0.09 1.56 -1.14 0.00 0.00 176.83 177.73 2oup h GLN 761 N 0.70 0.83 -0.22 3.45 1.08 -0.36 -0.93 115.11 119.66 2oup h GLN 761 Ca 0.20 -0.22 -0.07 0.00 -1.45 0.00 0.00 58.65 57.11 2oup h GLN 761 Cb -0.06 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.26 2oup h GLN 761 CO -0.04 0.82 -0.17 -1.49 -0.95 0.00 0.00 178.83 177.00 2oup h TRP 762 N 0.70 0.40 -0.25 2.96 4.06 -0.50 -1.45 115.95 121.87 2oup h TRP 762 Ca 0.15 -0.06 -0.10 0.00 2.06 0.00 0.00 58.89 60.94 2oup h TRP 762 Cb 0.39 -0.11 -0.01 0.00 -1.00 0.00 0.00 29.16 28.43 2oup h TRP 762 CO 0.03 0.53 -0.26 0.93 -3.56 0.00 0.00 178.44 176.11 2oup h GLU 763 N 0.34 0.49 -0.60 0.49 5.08 -0.89 -1.61 114.58 117.89 2oup h GLU 763 Ca 0.06 -0.19 -0.08 0.00 -1.00 0.00 0.00 59.36 58.16 2oup h GLU 763 Cb 0.50 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 2oup h GLU 763 CO 0.03 0.71 0.06 0.87 -1.00 0.00 0.00 179.01 179.68 2oup h LYS 764 N 0.43 1.00 -0.42 2.33 1.57 -0.28 -1.75 116.57 119.44 2oup h LYS 764 Ca 0.06 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.56 2oup h LYS 764 Cb 0.68 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 2oup h LYS 764 CO 0.05 0.94 0.23 0.28 -0.57 0.00 0.00 179.45 180.38 2oup h VAL 765 N 0.93 1.16 -0.36 0.50 2.07 -0.78 -0.47 116.25 119.29 2oup h VAL 765 Ca 0.18 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 2oup h VAL 765 Cb 0.46 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 2oup h VAL 765 CO 0.02 0.17 0.19 0.40 0.02 0.00 0.00 177.57 178.36 2oup h ILE 766 N 0.55 1.12 0.00 4.57 2.04 -0.94 0.06 117.51 124.91 2oup h ILE 766 Ca 0.15 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.69 2oup h ILE 766 Cb 0.06 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 2oup h ILE 766 CO -0.02 0.13 0.00 0.54 0.00 0.00 0.00 178.15 178.80 2oup n ARG 767 N -4.43 0.98 -1.46 2.37 1.74 -0.69 -4.89 116.66 110.28 2oup n ARG 767 Ca 0.02 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.08 2oup n ARG 767 Cb 0.10 -1.45 -0.01 0.00 -1.02 0.00 0.00 32.46 30.09 2oup n ARG 767 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2oup n GLY 768 N 0.90 0.45 1.55 -0.13 0.00 0.01 -4.96 105.19 103.02 2oup n GLY 768 Ca 0.21 -0.90 0.09 0.00 0.00 0.00 0.00 46.02 45.42 2oup n GLY 768 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2oup n GLU 769 N -2.26 3.76 0.00 1.61 1.02 -0.24 -5.02 120.64 119.51 2oup n GLU 769 Ca -0.03 -2.89 0.00 0.00 -0.02 0.00 0.00 57.16 54.23 2oup n GLU 769 Cb 0.26 -1.90 0.00 0.00 -0.02 0.00 0.00 31.44 29.78 2oup n GLU 769 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40