#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u2j h ILE 433 N 0.00 1.57 -3.44 1.96 2.10 -2.04 -3.42 117.51 114.24 1u2j h ILE 433 Ca 0.00 -2.88 -0.57 0.00 1.08 0.00 0.00 64.86 62.49 1u2j h ILE 433 Cb 0.00 2.61 -0.38 0.00 -1.09 0.00 0.00 36.82 37.96 1u2j h ILE 433 CO 0.00 0.83 -0.78 0.86 -1.08 0.00 0.00 178.15 177.98 1u2j s TRP 434 N -3.02 1.82 -0.06 2.19 -0.11 -1.26 -5.12 118.94 113.38 1u2j s TRP 434 Ca -0.01 -1.30 0.05 0.00 1.22 0.00 0.00 56.10 56.06 1u2j s TRP 434 Cb 0.10 -1.35 -0.02 0.00 -1.50 0.00 0.00 33.47 30.70 1u2j s TRP 434 CO 0.82 -0.68 -0.20 -1.14 -4.62 0.00 0.00 176.95 171.14 1u2j s GLN 435 N 1.59 2.55 -0.20 5.86 -0.44 -1.26 -4.98 119.66 122.77 1u2j s GLN 435 Ca -0.02 -0.81 -0.24 0.00 -2.50 0.00 0.00 55.36 51.79 1u2j s GLN 435 Cb -0.17 -2.27 -0.01 0.00 -1.64 0.00 0.00 33.01 28.91 1u2j s GLN 435 CO -0.07 0.48 0.77 -0.51 0.50 0.00 0.00 175.29 176.46 1u2j s ASP 436 N -0.39 6.84 0.53 6.67 1.01 -1.26 -5.05 116.67 125.02 1u2j s ASP 436 Ca 0.04 1.03 -0.19 0.00 0.71 0.00 0.00 52.55 54.13 1u2j s ASP 436 Cb -0.12 -2.42 -0.07 0.00 1.01 0.00 0.00 42.92 41.32 1u2j s ASP 436 CO 0.02 -0.40 1.08 -2.84 0.21 0.00 0.00 175.17 173.24 1u2j s PRO 437 N 2.29 3.54 0.08 8.23 0.02 -1.26 -5.06 135.00 142.85 1u2j s PRO 437 Ca 0.34 1.44 0.10 0.00 0.02 0.00 0.00 61.00 62.90 1u2j s PRO 437 Cb -0.16 -2.05 -0.03 0.00 0.02 0.00 0.00 34.50 32.28 1u2j s PRO 437 CO 0.10 -0.66 -0.26 -0.51 -0.33 0.00 0.00 177.00 175.34 1u2j s LEU 438 N -3.76 2.24 0.62 -5.54 2.01 -1.26 -4.91 118.68 108.08 1u2j s LEU 438 Ca 0.69 -0.66 -0.14 0.00 0.01 0.00 0.00 54.13 54.03 1u2j s LEU 438 Cb -0.19 -1.22 -0.02 0.00 0.01 0.00 0.00 46.19 44.77 1u2j s LEU 438 CO 0.25 0.21 1.05 -2.16 1.01 0.00 0.00 176.35 176.72 1u2j s PRO 439 N -1.62 3.21 0.27 1.29 0.05 -1.26 -5.03 135.00 131.91 1u2j s PRO 439 Ca 0.12 1.11 -0.30 0.00 0.05 0.00 0.00 61.00 61.98 1u2j s PRO 439 Cb -0.10 -2.02 -0.11 0.00 0.05 0.00 0.00 34.50 32.32 1u2j s PRO 439 CO 0.04 -0.89 1.61 -1.14 0.05 0.00 0.00 177.00 176.67 1u2j s GLN 440 N -4.40 4.14 -0.18 4.56 2.00 -1.26 -4.90 119.66 119.62 1u2j s GLN 440 Ca 0.62 2.55 -0.30 0.00 -2.00 0.00 0.00 55.36 56.23 1u2j s GLN 440 Cb -0.15 -3.05 -0.07 0.00 0.80 0.00 0.00 33.01 30.54 1u2j s GLN 440 CO 0.43 -0.64 2.16 -2.30 -0.50 0.00 0.00 175.29 174.43 1u2j n PRO 441 N 2.65 2.05 0.16 1.67 -0.02 -1.26 -4.87 135.00 135.38 1u2j n PRO 441 Ca 0.10 0.62 0.05 0.00 -2.02 0.00 0.00 63.50 62.25 1u2j n PRO 441 Cb 0.37 -3.08 0.10 0.00 -0.02 0.00 0.00 33.50 30.87 1u2j n PRO 441 CO 0.00 0.00 0.00 -0.84 1.98 0.00 0.00 175.50 176.64 1u2j h ILE 442 N 6.76 0.69 -3.74 4.25 3.07 -1.94 -3.46 117.51 123.15 1u2j h ILE 442 Ca -0.42 -1.89 -0.68 0.00 1.55 0.00 0.00 64.86 63.43 1u2j h ILE 442 Cb 1.25 2.28 -0.19 0.00 -0.27 0.00 0.00 36.82 39.89 1u2j h ILE 442 CO 0.96 0.38 -0.77 -0.31 -1.05 0.00 0.00 178.15 177.36 1u2j s TYR 443 N -3.08 2.64 -0.36 0.16 1.51 -1.26 -5.07 117.35 111.88 1u2j s TYR 443 Ca 0.04 -0.21 0.01 0.00 -1.01 0.00 0.00 57.07 55.90 1u2j s TYR 443 Cb 0.07 -1.43 0.15 0.00 -0.11 0.00 0.00 41.96 40.64 1u2j s TYR 443 CO 0.72 0.36 0.25 -0.80 -1.11 0.00 0.00 175.55 174.97 1u2j s ASN 444 N -1.88 2.50 0.42 2.29 0.01 -1.26 -4.96 114.94 112.06 1u2j s ASN 444 Ca 0.18 -2.13 -0.16 0.00 -0.71 0.00 0.00 52.86 50.04 1u2j s ASN 444 Cb -0.11 -0.20 -0.09 0.00 0.41 0.00 0.00 41.25 41.26 1u2j s ASN 444 CO 0.09 -0.29 0.87 -2.16 -1.51 0.00 0.00 177.10 174.11 1u2j s PRO 445 N 1.07 4.01 0.54 -0.60 0.04 -1.23 -5.05 135.00 133.78 1u2j s PRO 445 Ca 0.19 0.83 0.08 0.00 0.04 0.00 0.00 61.00 62.14 1u2j s PRO 445 Cb -0.20 -2.27 0.06 0.00 0.04 0.00 0.00 34.50 32.13 1u2j s PRO 445 CO -0.01 -0.05 0.74 0.95 0.04 0.00 0.00 177.00 178.67 1u2j s THR 446 N -2.29 2.46 0.41 1.26 -4.23 -1.26 -4.91 115.64 107.08 1u2j s THR 446 Ca 0.57 -0.94 0.16 0.00 -1.18 0.00 0.00 61.69 60.30 1u2j s THR 446 Cb -0.10 -2.52 0.37 0.00 1.34 0.00 0.00 72.50 71.59 1u2j s THR 446 CO 0.23 0.00 1.86 1.05 -0.54 0.00 0.00 174.62 177.22 1u2j h GLU 447 N 0.26 0.43 -0.22 3.99 4.11 -1.99 -0.20 114.58 120.96 1u2j h GLU 447 Ca -0.34 -0.03 -0.18 0.00 0.07 0.00 0.00 59.36 58.88 1u2j h GLU 447 Cb 1.28 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1u2j h GLU 447 CO 0.43 0.29 -0.56 0.37 0.07 0.00 0.00 179.01 179.61 1u2j h GLN 448 N 0.45 0.77 -0.01 1.06 5.75 -1.99 -1.89 115.11 119.24 1u2j h GLN 448 Ca 0.46 -0.53 0.03 0.00 -0.15 0.00 0.00 58.65 58.45 1u2j h GLN 448 Cb 1.07 0.08 -0.03 0.00 1.07 0.00 0.00 27.48 29.67 1u2j h GLN 448 CO -0.18 1.15 -0.15 -0.44 -2.65 0.00 0.00 178.83 176.56 1u2j h ASP 449 N 0.50 -0.45 -0.51 -0.69 3.45 -1.72 0.16 116.42 117.16 1u2j h ASP 449 Ca -0.01 0.07 0.10 0.00 0.43 0.00 0.00 57.03 57.62 1u2j h ASP 449 Cb 1.18 0.19 -0.10 0.00 -0.56 0.00 0.00 39.33 40.03 1u2j h ASP 449 CO 0.12 -0.21 -0.26 0.40 -1.57 0.00 0.00 179.24 177.72 1u2j h ILE 450 N -0.25 0.29 -0.99 0.35 1.08 -0.89 0.36 117.51 117.46 1u2j h ILE 450 Ca 0.05 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.57 1u2j h ILE 450 Cb 0.32 0.29 -0.06 0.00 -3.07 0.00 0.00 36.82 34.30 1u2j h ILE 450 CO -0.16 0.00 0.65 0.40 -0.69 0.00 0.00 178.15 178.35 1u2j h ILE 451 N -0.14 1.16 -0.24 -0.67 2.04 -1.19 0.15 117.51 118.62 1u2j h ILE 451 Ca 0.23 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.67 1u2j h ILE 451 Cb 0.50 -0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.38 1u2j h ILE 451 CO -0.60 0.23 0.15 0.44 0.00 0.00 0.00 178.15 178.38 1u2j h ASP 452 N 1.24 0.29 -0.57 1.72 3.32 0.97 -2.08 116.42 121.30 1u2j h ASP 452 Ca 0.40 -0.03 -0.10 0.00 0.02 0.00 0.00 57.03 57.32 1u2j h ASP 452 Cb 0.03 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 1u2j h ASP 452 CO -0.13 0.23 -0.04 -0.07 -1.72 0.00 0.00 179.24 177.51 1u2j h LEU 453 N 0.32 1.03 -0.60 1.55 3.38 0.32 -0.32 115.31 120.98 1u2j h LEU 453 Ca 0.09 -0.31 0.09 0.00 0.09 0.00 0.00 57.88 57.83 1u2j h LEU 453 Cb -0.01 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 40.39 1u2j h LEU 453 CO -0.02 1.10 0.24 0.11 0.09 0.00 0.00 178.44 179.96 1u2j h LYS 454 N 0.95 0.41 -0.47 1.13 1.57 -0.65 0.54 116.57 120.05 1u2j h LYS 454 Ca 0.16 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.88 1u2j h LYS 454 Cb 0.60 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.80 1u2j h LYS 454 CO 0.04 0.27 0.15 0.35 -0.57 0.00 0.00 179.45 179.70 1u2j h PHE 455 N 0.43 0.75 -0.11 -1.35 3.57 -0.57 0.29 116.94 119.94 1u2j h PHE 455 Ca 0.30 -0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.69 1u2j h PHE 455 Cb 0.35 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 1u2j h PHE 455 CO -0.16 0.66 -0.09 0.00 -2.23 0.00 0.00 178.31 176.49 1u2j h ALA 456 N 1.01 1.66 -0.00 2.41 0.00 -0.45 -0.59 119.26 123.29 1u2j h ALA 456 Ca 0.15 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1u2j h ALA 456 Cb 0.25 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1u2j h ALA 456 CO -0.01 0.25 -0.15 0.82 0.00 0.00 0.00 179.25 180.17 1u2j h ILE 457 N 0.16 1.58 -0.75 0.00 2.04 -0.19 -2.74 117.51 117.61 1u2j h ILE 457 Ca 0.04 -1.91 0.22 0.00 1.00 0.00 0.00 64.86 64.21 1u2j h ILE 457 Cb 0.26 2.81 -0.03 0.00 -0.74 0.00 0.00 36.82 39.12 1u2j h ILE 457 CO 0.01 0.51 0.59 0.00 0.00 0.00 0.00 178.15 179.26 1u2j h ALA 458 N 0.24 2.65 -0.01 1.87 0.00 -0.36 0.15 119.26 123.80 1u2j h ALA 458 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1u2j h ALA 458 Cb 0.92 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1u2j h ALA 458 CO 0.03 -0.98 -0.27 -3.47 0.00 0.00 0.00 179.25 174.56 1u2j n ASP 459 N -4.12 1.26 0.02 0.00 2.03 -0.24 -4.50 116.55 111.00 1u2j n ASP 459 Ca 0.15 -1.06 0.14 0.00 0.52 0.00 0.00 54.79 54.54 1u2j n ASP 459 Cb 0.86 0.18 0.52 0.00 -0.72 0.00 0.00 41.12 41.97 1u2j n ASP 459 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1u2j n SER 460 N -0.45 0.23 0.00 1.67 3.41 0.53 -4.89 113.62 114.11 1u2j n SER 460 Ca 0.12 0.40 0.00 0.00 -0.26 0.00 0.00 58.87 59.14 1u2j n SER 460 Cb 0.37 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 1u2j n SER 460 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1u2j n GLY 461 N 1.46 1.27 3.76 5.00 0.00 -1.26 -5.04 105.19 110.38 1u2j n GLY 461 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1u2j n GLY 461 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u2j s LEU 462 N 0.00 4.50 0.69 0.99 1.43 -1.26 -5.04 118.68 119.98 1u2j s LEU 462 Ca 0.00 2.37 -0.11 0.00 -1.03 0.00 0.00 54.13 55.36 1u2j s LEU 462 Cb 0.00 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.60 1u2j s LEU 462 CO 0.00 -0.30 1.08 -0.94 0.23 0.00 0.00 176.35 176.43 1u2j s SER 463 N -0.54 5.60 0.18 2.29 1.04 -1.26 -4.83 113.70 116.19 1u2j s SER 463 Ca 0.48 1.19 -0.21 0.00 0.48 0.00 0.00 55.95 57.88 1u2j s SER 463 Cb -0.34 -2.03 0.10 0.00 0.10 0.00 0.00 66.02 63.84 1u2j s SER 463 CO 0.43 -1.24 1.59 0.58 0.98 0.00 0.00 173.24 175.58 1u2j h VAL 464 N -0.59 0.20 -0.59 5.02 2.07 -1.90 0.19 116.25 120.65 1u2j h VAL 464 Ca -0.45 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.18 1u2j h VAL 464 Cb 1.24 0.20 -0.11 0.00 -1.52 0.00 0.00 31.29 31.10 1u2j h VAL 464 CO 0.63 0.00 -0.29 0.28 0.02 0.00 0.00 177.57 178.21 1u2j h SER 465 N -0.19 -1.01 -0.48 0.57 0.02 -1.87 0.62 113.55 111.20 1u2j h SER 465 Ca 0.21 0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 61.36 1u2j h SER 465 Cb 0.54 0.53 -0.02 0.00 0.14 0.00 0.00 62.40 63.59 1u2j h SER 465 CO -0.62 -0.29 0.23 -0.33 -1.14 0.00 0.00 176.83 174.69 1u2j h GLU 466 N -0.13 0.69 -0.62 3.45 5.08 -1.59 -1.93 114.58 119.54 1u2j h GLU 466 Ca 0.25 -0.10 -0.10 0.00 -1.00 0.00 0.00 59.36 58.41 1u2j h GLU 466 Cb 0.54 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 1u2j h GLU 466 CO -0.67 0.58 0.00 -0.07 -1.00 0.00 0.00 179.01 177.86 1u2j h LEU 467 N 0.63 1.06 -0.14 1.33 3.38 0.56 -2.30 115.31 119.83 1u2j h LEU 467 Ca 0.16 -0.30 -0.07 0.00 0.09 0.00 0.00 57.88 57.76 1u2j h LEU 467 Cb 0.12 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 1u2j h LEU 467 CO -0.02 1.11 -0.18 0.58 0.09 0.00 0.00 178.44 180.02 1u2j h VAL 468 N 0.99 1.36 0.08 1.22 2.07 -0.89 -2.88 116.25 118.20 1u2j h VAL 468 Ca 0.17 -1.38 -0.00 0.00 0.82 0.00 0.00 66.70 66.32 1u2j h VAL 468 Cb 0.56 1.94 0.00 0.00 -1.52 0.00 0.00 31.29 32.27 1u2j h VAL 468 CO 0.03 0.40 -0.04 0.28 0.02 0.00 0.00 177.57 178.27 1u2j h SER 469 N -0.02 -0.09 -0.75 0.57 0.02 -1.24 0.67 113.55 112.71 1u2j h SER 469 Ca 0.02 -0.10 0.14 0.00 -0.84 0.00 0.00 61.79 61.00 1u2j h SER 469 Cb 0.73 0.02 -0.09 0.00 0.14 0.00 0.00 62.40 63.20 1u2j h SER 469 CO 0.04 0.04 0.31 0.58 -1.14 0.00 0.00 176.83 176.66 1u2j h VAL 470 N -0.22 0.68 0.15 2.27 2.07 -1.48 1.76 116.25 121.49 1u2j h VAL 470 Ca -0.01 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 1u2j h VAL 470 Cb 0.19 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 1u2j h VAL 470 CO 0.02 0.08 -0.07 0.00 0.02 0.00 0.00 177.57 177.62 1u2j h ALA 471 N 1.53 -0.20 -0.35 1.67 0.00 -1.25 -1.61 119.26 119.05 1u2j h ALA 471 Ca 0.41 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.22 1u2j h ALA 471 Cb 0.59 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1u2j h ALA 471 CO -0.39 -0.53 0.19 2.35 0.00 0.00 0.00 179.25 180.87 1u2j h TRP 472 N -0.37 0.35 -0.90 0.00 2.91 -0.06 -0.65 115.95 117.21 1u2j h TRP 472 Ca -0.02 0.01 0.18 0.00 1.13 0.00 0.00 58.89 60.20 1u2j h TRP 472 Cb 0.30 -0.10 -0.07 0.00 -0.51 0.00 0.00 29.16 28.77 1u2j h TRP 472 CO -0.02 0.19 0.59 0.00 -1.03 0.00 0.00 178.44 178.17 1u2j h ALA 473 N 1.17 2.06 -0.11 2.65 0.00 0.28 -1.56 119.26 123.76 1u2j h ALA 473 Ca 0.14 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1u2j h ALA 473 Cb 0.04 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1u2j h ALA 473 CO -0.09 -0.34 -0.14 1.03 0.00 0.00 0.00 179.25 179.71 1u2j h SER 474 N 0.51 0.31 1.39 0.00 0.87 -0.74 -3.37 113.55 112.52 1u2j h SER 474 Ca 0.47 -0.52 -0.09 0.00 -1.23 0.00 0.00 61.79 60.42 1u2j h SER 474 Cb 1.02 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.88 1u2j h SER 474 CO -0.20 0.77 -0.63 0.00 -0.53 0.00 0.00 176.83 176.24 1u2j h ALA 475 N 0.55 0.71 -0.15 6.23 0.00 -0.24 -3.06 119.26 123.30 1u2j h ALA 475 Ca 0.01 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1u2j h ALA 475 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1u2j h ALA 475 CO 0.03 0.53 0.00 -1.13 0.00 0.00 0.00 179.25 178.69 1u2j n SER 476 N -3.10 1.56 -0.29 0.00 3.41 -0.67 -3.46 113.62 111.07 1u2j n SER 476 Ca 0.00 -1.69 0.13 0.00 -0.26 0.00 0.00 58.87 57.05 1u2j n SER 476 Cb 0.71 -0.10 0.58 0.00 -0.26 0.00 0.00 64.21 65.15 1u2j n SER 476 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1u2j n THR 477 N 0.25 0.06 -1.87 6.66 -2.24 -1.26 -4.92 114.28 110.96 1u2j n THR 477 Ca 0.16 -0.17 -0.40 0.00 -2.27 0.00 0.00 64.05 61.37 1u2j n THR 477 Cb 0.31 0.08 0.01 0.00 -2.10 0.00 0.00 70.33 68.63 1u2j n THR 477 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1u2j s PHE 478 N -1.94 2.57 -0.27 4.78 5.36 -1.22 -3.87 117.98 123.38 1u2j s PHE 478 Ca 0.37 1.29 0.02 0.00 -0.96 0.00 0.00 56.93 57.65 1u2j s PHE 478 Cb 0.19 -3.86 0.07 0.00 -0.34 0.00 0.00 43.02 39.07 1u2j s PHE 478 CO 0.30 -2.71 -0.04 1.03 -1.46 0.00 0.00 175.22 172.34 1u2j s ARG 479 N -2.35 1.75 0.56 10.12 1.81 0.44 -4.37 118.95 126.90 1u2j s ARG 479 Ca 0.59 -1.32 -0.20 0.00 -1.72 0.00 0.00 55.73 53.08 1u2j s ARG 479 Cb -0.42 -2.79 -0.06 0.00 -0.45 0.00 0.00 34.95 31.22 1u2j s ARG 479 CO 0.55 -0.69 0.99 0.41 -0.68 0.00 0.00 175.30 175.87 1u2j n GLY 480 N 4.50 -0.26 2.10 -3.53 0.00 0.75 -0.46 105.19 108.28 1u2j n GLY 480 Ca -0.08 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1u2j n GLY 480 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u2j n GLY 481 N 1.24 2.10 0.22 -0.02 0.00 -1.26 -4.28 105.19 103.19 1u2j n GLY 481 Ca 0.12 -0.37 0.08 0.00 0.00 0.00 0.00 46.02 45.85 1u2j n GLY 481 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1u2j h ASP 482 N 0.00 0.00 -6.20 1.61 3.45 -2.00 -3.49 116.42 109.80 1u2j h ASP 482 Ca 0.00 0.00 -0.44 0.00 0.43 0.00 0.00 57.03 57.02 1u2j h ASP 482 Cb 0.00 0.00 0.03 0.00 -0.56 0.00 0.00 39.33 38.80 1u2j h ASP 482 CO 0.00 0.27 -0.85 0.29 -1.57 0.00 0.00 179.24 177.38 1u2j n LYS 483 N -3.70 -4.26 -4.08 3.56 5.02 0.39 -4.64 118.16 110.44 1u2j n LYS 483 Ca -0.01 0.56 -0.23 0.00 -2.02 0.00 0.00 58.31 56.61 1u2j n LYS 483 Cb 0.38 -4.96 -0.06 0.00 -0.02 0.00 0.00 35.03 30.37 1u2j n LYS 483 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1u2j s ARG 484 N -6.11 2.39 0.38 1.97 0.52 -1.24 -4.95 118.95 111.91 1u2j s ARG 484 Ca 0.03 -1.54 0.00 0.00 -0.52 0.00 0.00 55.73 53.70 1u2j s ARG 484 Cb -0.01 -2.19 0.00 0.00 0.52 0.00 0.00 34.95 33.27 1u2j s ARG 484 CO 0.83 0.11 0.00 0.41 0.02 0.00 0.00 175.30 176.67 1u2j n GLY 485 N -1.16 -2.18 0.00 -3.53 0.00 -1.26 -0.42 105.19 96.64 1u2j n GLY 485 Ca -0.03 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.51 1u2j n GLY 485 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u2j n GLY 486 N -0.78 1.33 0.13 -0.02 0.00 -1.25 -4.45 105.19 100.16 1u2j n GLY 486 Ca 0.00 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 43.95 1u2j n GLY 486 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u2j h ALA 487 N 0.00 0.78 -2.64 4.61 0.00 -1.72 -3.43 119.26 116.84 1u2j h ALA 487 Ca 0.00 -0.56 -0.52 0.00 0.00 0.00 0.00 54.91 53.82 1u2j h ALA 487 Cb 0.00 -0.10 0.05 0.00 0.00 0.00 0.00 17.79 17.75 1u2j h ALA 487 CO 0.00 0.77 0.97 1.21 0.00 0.00 0.00 179.25 182.20 1u2j s ASN 488 N -6.63 6.44 0.00 0.00 3.84 -1.26 -2.29 114.94 115.05 1u2j s ASN 488 Ca 0.01 2.79 0.00 0.00 0.21 0.00 0.00 52.86 55.87 1u2j s ASN 488 Cb 0.11 -2.60 0.00 0.00 -0.55 0.00 0.00 41.25 38.21 1u2j s ASN 488 CO 0.75 -0.92 0.00 0.61 -2.79 0.00 0.00 177.10 174.75 1u2j n GLY 489 N 3.86 1.52 3.75 1.21 0.00 0.77 -4.56 105.19 111.75 1u2j n GLY 489 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 1u2j n GLY 489 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u2j n ALA 490 N -1.89 -1.35 0.82 4.61 0.00 -0.97 0.08 120.51 121.80 1u2j n ALA 490 Ca 0.00 0.27 0.11 0.00 0.00 0.00 0.00 53.44 53.82 1u2j n ALA 490 Cb 0.00 -4.79 0.50 0.00 0.00 0.00 0.00 19.45 15.17 1u2j n ALA 490 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1u2j n ARG 491 N -4.80 0.01 -0.27 0.00 1.74 -1.26 -1.42 116.66 110.66 1u2j n ARG 491 Ca 0.00 0.09 0.22 0.00 -0.77 0.00 0.00 57.85 57.40 1u2j n ARG 491 Cb 0.55 -1.50 0.55 0.00 -1.02 0.00 0.00 32.46 31.04 1u2j n ARG 491 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1u2j h LEU 492 N 0.00 0.36 0.00 0.55 5.85 -1.91 -0.64 115.31 119.52 1u2j h LEU 492 Ca 0.00 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1u2j h LEU 492 Cb 0.40 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.42 1u2j h LEU 492 CO 0.00 0.11 -0.09 0.00 -0.34 0.00 0.00 178.44 178.12 1u2j n ALA 493 N -2.54 2.49 -2.15 1.25 0.00 -0.51 -3.19 120.51 115.86 1u2j n ALA 493 Ca 0.22 -0.12 -0.19 0.00 0.00 0.00 0.00 53.44 53.34 1u2j n ALA 493 Cb 0.82 -1.41 -0.01 0.00 0.00 0.00 0.00 19.45 18.84 1u2j n ALA 493 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1u2j s LEU 494 N -3.39 3.54 0.48 0.00 1.43 -0.25 -4.81 118.68 115.68 1u2j s LEU 494 Ca 0.13 -0.57 -0.21 0.00 -1.03 0.00 0.00 54.13 52.44 1u2j s LEU 494 Cb 0.17 -2.35 -0.07 0.00 0.03 0.00 0.00 46.19 43.97 1u2j s LEU 494 CO 0.57 -0.68 1.10 -0.04 0.23 0.00 0.00 176.35 177.54 1u2j s MET 495 N -4.22 3.72 0.10 1.70 -1.94 -1.26 -1.12 119.30 116.27 1u2j s MET 495 Ca 0.51 1.57 0.24 0.00 -1.71 0.00 0.00 55.69 56.29 1u2j s MET 495 Cb -0.06 -2.22 0.34 0.00 2.01 0.00 0.00 34.83 34.90 1u2j s MET 495 CO 0.30 -0.54 1.31 -0.35 -0.01 0.00 0.00 175.02 175.73 1u2j n PRO 496 N -0.80 0.26 -0.22 2.03 -0.04 -1.26 -4.78 135.00 130.18 1u2j n PRO 496 Ca 0.09 0.07 0.14 0.00 -0.04 0.00 0.00 63.50 63.75 1u2j n PRO 496 Cb 0.50 -1.65 0.44 0.00 -0.04 0.00 0.00 33.50 32.75 1u2j n PRO 496 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1u2j h GLN 497 N 0.00 0.54 -0.03 0.54 4.20 -1.69 -1.05 115.11 117.62 1u2j h GLN 497 Ca 0.00 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.68 1u2j h GLN 497 Cb 0.72 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.37 1u2j h GLN 497 CO 0.00 0.36 0.05 -0.09 -0.67 0.00 0.00 178.83 178.47 1u2j h ARG 498 N 0.56 0.00 -0.00 1.46 2.43 -1.08 -2.10 114.38 115.64 1u2j h ARG 498 Ca 0.42 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.59 1u2j h ARG 498 Cb 0.81 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.36 1u2j h ARG 498 CO -0.17 0.00 -0.69 -0.25 -1.51 0.00 0.00 179.97 177.36 1u2j n ASP 499 N -3.51 0.93 -4.67 -3.80 8.00 -0.40 -4.83 116.55 108.27 1u2j n ASP 499 Ca -0.02 -0.96 -0.49 0.00 0.71 0.00 0.00 54.79 54.03 1u2j n ASP 499 Cb 0.13 0.90 -0.05 0.00 -0.02 0.00 0.00 41.12 42.08 1u2j n ASP 499 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 1u2j n TRP 500 N -1.15 2.18 -0.31 1.24 8.01 -0.79 -4.86 117.44 121.75 1u2j n TRP 500 Ca 0.04 0.24 0.27 0.00 -1.31 0.00 0.00 57.50 56.74 1u2j n TRP 500 Cb 0.27 -2.55 0.50 0.00 -2.01 0.00 0.00 31.31 27.52 1u2j n TRP 500 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1u2j n ASP 501 N 4.63 0.24 0.23 -0.99 10.43 -1.26 -0.26 116.55 129.57 1u2j n ASP 501 Ca 0.20 1.59 0.07 0.00 2.57 0.00 0.00 54.79 59.22 1u2j n ASP 501 Cb 0.26 -0.73 0.56 0.00 1.84 0.00 0.00 41.12 43.05 1u2j n ASP 501 CO 0.00 0.00 0.00 0.58 -1.07 0.00 0.00 177.20 176.71 1u2j h VAL 502 N 0.00 0.97 -0.15 2.53 2.07 -1.94 -2.55 116.25 117.19 1u2j h VAL 502 Ca 0.76 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 67.63 1u2j h VAL 502 Cb 1.94 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 33.08 1u2j h VAL 502 CO -0.77 0.18 0.00 0.59 0.02 0.00 0.00 177.57 177.59 1u2j n ASN 503 N -4.10 2.62 -0.14 0.57 3.02 0.64 -4.56 115.26 113.31 1u2j n ASN 503 Ca -0.02 -1.86 -0.04 0.00 -0.03 0.00 0.00 54.58 52.63 1u2j n ASN 503 Cb 0.26 -0.08 0.05 0.00 -0.61 0.00 0.00 39.78 39.39 1u2j n ASN 503 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1u2j h ALA 504 N 4.49 0.50 -0.06 5.41 0.00 -1.26 -1.25 119.26 127.09 1u2j h ALA 504 Ca 0.00 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1u2j h ALA 504 Cb 0.82 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1u2j h ALA 504 CO 0.00 -0.30 -0.16 0.00 0.00 0.00 0.00 179.25 178.79 1u2j h ALA 505 N 1.33 0.11 -0.97 0.00 0.00 -1.81 -3.25 119.26 114.68 1u2j h ALA 505 Ca 0.22 -0.36 0.19 0.00 0.00 0.00 0.00 54.91 54.95 1u2j h ALA 505 Cb 0.27 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.95 1u2j h ALA 505 CO -0.27 0.03 0.61 0.00 0.00 0.00 0.00 179.25 179.62 1u2j h ALA 506 N 0.46 1.87 0.00 0.00 0.00 -1.71 -0.84 119.26 119.04 1u2j h ALA 506 Ca -0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1u2j h ALA 506 Cb 0.77 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1u2j h ALA 506 CO 0.04 -0.19 0.00 0.28 0.00 0.00 0.00 179.25 179.37 1u2j n VAL 507 N -4.65 0.54 0.39 0.00 0.31 -0.51 -2.22 118.33 112.19 1u2j n VAL 507 Ca 0.21 0.13 0.13 0.00 -0.01 0.00 0.00 64.34 64.81 1u2j n VAL 507 Cb 0.60 -0.79 0.34 0.00 -0.91 0.00 0.00 33.84 33.08 1u2j n VAL 507 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1u2j h ARG 508 N 0.00 0.00 -0.00 5.55 3.08 -1.28 -1.88 114.38 119.85 1u2j h ARG 508 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1u2j h ARG 508 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1u2j h ARG 508 CO 0.00 0.00 -0.06 0.00 -1.07 0.00 0.00 179.97 178.84 1u2j n ALA 509 N -1.96 2.48 -0.14 0.04 0.00 -0.94 -4.40 120.51 115.59 1u2j n ALA 509 Ca 0.04 -0.13 -0.12 0.00 0.00 0.00 0.00 53.44 53.23 1u2j n ALA 509 Cb 0.44 -1.43 -0.01 0.00 0.00 0.00 0.00 19.45 18.45 1u2j n ALA 509 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1u2j h LEU 510 N 0.01 0.96 -0.52 0.00 3.38 -1.54 -1.96 115.31 115.65 1u2j h LEU 510 Ca 0.00 -0.42 0.09 0.00 0.09 0.00 0.00 57.88 57.65 1u2j h LEU 510 Cb 0.48 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 40.89 1u2j h LEU 510 CO 0.00 1.17 0.10 -0.65 0.09 0.00 0.00 178.44 179.14 1u2j h PRO 511 N 0.76 0.23 -0.07 1.13 0.11 -1.77 0.51 132.00 132.90 1u2j h PRO 511 Ca 0.09 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.19 1u2j h PRO 511 Cb 0.82 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.88 1u2j h PRO 511 CO 0.07 0.15 0.04 0.28 -0.21 0.00 0.00 178.00 178.33 1u2j h VAL 512 N 0.23 1.06 -0.07 3.15 2.07 -1.78 -1.75 116.25 119.15 1u2j h VAL 512 Ca 0.26 -0.15 -0.13 0.00 0.82 0.00 0.00 66.70 67.51 1u2j h VAL 512 Cb 0.37 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1u2j h VAL 512 CO -0.35 0.05 -0.52 -0.07 0.02 0.00 0.00 177.57 176.70 1u2j h LEU 513 N 0.04 0.22 -0.73 2.57 3.38 -0.69 -2.18 115.31 117.92 1u2j h LEU 513 Ca 0.02 -0.11 -0.13 0.00 0.09 0.00 0.00 57.88 57.76 1u2j h LEU 513 Cb 0.04 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1u2j h LEU 513 CO -0.00 0.70 -0.39 -0.33 0.09 0.00 0.00 178.44 178.50 1u2j h GLU 514 N 0.16 0.51 -0.34 1.13 5.08 0.13 -0.99 114.58 120.25 1u2j h GLU 514 Ca 0.00 -0.25 -0.06 0.00 -1.00 0.00 0.00 59.36 58.05 1u2j h GLU 514 Cb 0.97 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.20 1u2j h GLU 514 CO 0.08 0.82 -0.05 -0.22 -1.00 0.00 0.00 179.01 178.64 1u2j h LYS 515 N 0.43 0.56 -0.21 2.33 3.64 -0.81 -0.96 116.57 121.54 1u2j h LYS 515 Ca 0.04 -0.14 -0.19 0.00 -1.27 0.00 0.00 60.65 59.09 1u2j h LYS 515 Cb 0.87 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 1u2j h LYS 515 CO 0.07 0.62 -0.60 0.82 -2.27 0.00 0.00 179.45 178.10 1u2j h ILE 516 N 0.52 1.29 -0.13 2.00 2.04 -0.86 0.63 117.51 123.01 1u2j h ILE 516 Ca 0.10 -1.80 -0.12 0.00 1.00 0.00 0.00 64.86 64.04 1u2j h ILE 516 Cb 0.42 1.84 -0.01 0.00 -0.74 0.00 0.00 36.82 38.33 1u2j h ILE 516 CO 0.02 0.57 -0.44 0.06 0.00 0.00 0.00 178.15 178.37 1u2j h GLN 517 N 0.51 0.31 -0.43 2.37 -0.00 -1.07 -0.30 115.11 116.50 1u2j h GLN 517 Ca -0.01 -0.16 -0.14 0.00 -0.00 0.00 0.00 58.65 58.34 1u2j h GLN 517 Cb 1.22 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.69 1u2j h GLN 517 CO 0.13 0.69 -0.29 0.87 -0.00 0.00 0.00 178.83 180.23 1u2j h LYS 518 N 0.26 0.93 0.00 0.06 1.57 -1.01 0.26 116.57 118.63 1u2j h LYS 518 Ca 0.02 -0.43 -0.15 0.00 -1.87 0.00 0.00 60.65 58.22 1u2j h LYS 518 Cb 0.88 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.15 1u2j h LYS 518 CO 0.07 1.09 -0.71 0.93 -0.57 0.00 0.00 179.45 180.27 1u2j h GLU 519 N 0.79 0.00 0.06 3.15 5.08 -0.80 -3.33 114.58 119.52 1u2j h GLU 519 Ca 0.09 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1u2j h GLU 519 Cb 0.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.11 1u2j h GLU 519 CO 0.08 0.71 -0.03 1.03 -1.00 0.00 0.00 179.01 179.80 1u2j h SER 520 N 0.00 -0.07 -1.10 1.42 0.87 -0.94 -3.47 113.55 110.26 1u2j h SER 520 Ca -0.01 -0.34 -0.39 0.00 -1.23 0.00 0.00 61.79 59.83 1u2j h SER 520 Cb 1.38 0.02 -0.14 0.00 -0.44 0.00 0.00 62.40 63.21 1u2j h SER 520 CO 0.09 0.58 -0.37 0.61 -0.53 0.00 0.00 176.83 177.21 1u2j n GLY 521 N 1.43 1.62 0.00 5.77 0.00 0.89 -4.87 105.19 110.03 1u2j n GLY 521 Ca -0.05 -0.09 0.09 0.00 0.00 0.00 0.00 46.02 45.97 1u2j n GLY 521 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1u2j n LYS 522 N -2.48 0.98 -3.45 1.61 4.76 -1.26 -5.05 118.16 113.26 1u2j n LYS 522 Ca -0.20 -0.06 -0.12 0.00 -2.87 0.00 0.00 58.31 55.07 1u2j n LYS 522 Cb 0.63 -1.36 -0.02 0.00 -1.84 0.00 0.00 35.03 32.44 1u2j n LYS 522 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1u2j s ALA 523 N -2.87 -1.55 0.72 7.82 0.00 -1.26 -3.52 121.76 121.10 1u2j s ALA 523 Ca 0.02 0.42 -0.12 0.00 0.00 0.00 0.00 51.96 52.28 1u2j s ALA 523 Cb 0.13 0.88 0.02 0.00 0.00 0.00 0.00 23.12 24.15 1u2j s ALA 523 CO 0.73 -0.78 1.08 -1.54 0.00 0.00 0.00 175.76 175.25 1u2j s SER 524 N -2.76 5.01 0.30 0.00 1.04 -1.26 -4.88 113.70 111.14 1u2j s SER 524 Ca 0.02 1.77 0.03 0.00 0.48 0.00 0.00 55.95 58.24 1u2j s SER 524 Cb -0.01 -2.52 0.61 0.00 0.10 0.00 0.00 66.02 64.20 1u2j s SER 524 CO -0.12 -1.70 1.85 0.25 0.98 0.00 0.00 173.24 174.50 1u2j h LEU 525 N -0.71 0.87 -0.80 2.42 5.85 -1.93 -1.54 115.31 119.47 1u2j h LEU 525 Ca -0.44 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.30 1u2j h LEU 525 Cb 1.22 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 42.09 1u2j h LEU 525 CO 0.54 0.46 0.39 0.00 -0.34 0.00 0.00 178.44 179.50 1u2j h ALA 526 N 1.55 1.04 -0.10 1.25 0.00 -1.89 0.18 119.26 121.29 1u2j h ALA 526 Ca 0.48 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 55.11 1u2j h ALA 526 Cb 0.53 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1u2j h ALA 526 CO -0.25 0.59 -0.50 -0.44 0.00 0.00 0.00 179.25 178.66 1u2j h ASP 527 N 1.14 0.28 0.87 0.00 3.32 -1.72 -2.99 116.42 117.32 1u2j h ASP 527 Ca 0.28 -0.14 -0.23 0.00 0.02 0.00 0.00 57.03 56.96 1u2j h ASP 527 Cb 0.11 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 1u2j h ASP 527 CO -0.04 0.74 -1.12 0.40 -1.72 0.00 0.00 179.24 177.50 1u2j h ILE 528 N 0.21 1.59 -0.48 0.35 2.04 -0.34 -0.89 117.51 119.99 1u2j h ILE 528 Ca 0.01 -3.28 -0.03 0.00 1.00 0.00 0.00 64.86 62.56 1u2j h ILE 528 Cb 0.96 2.84 -0.02 0.00 -0.74 0.00 0.00 36.82 39.85 1u2j h ILE 528 CO 0.08 0.92 0.20 0.40 0.00 0.00 0.00 178.15 179.76 1u2j h ILE 529 N 0.02 1.20 -0.26 -0.67 2.04 -0.62 -0.73 117.51 118.49 1u2j h ILE 529 Ca -0.06 -0.62 -0.04 0.00 1.00 0.00 0.00 64.86 65.14 1u2j h ILE 529 Cb 1.84 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 38.62 1u2j h ILE 529 CO 0.14 0.23 0.01 0.58 0.00 0.00 0.00 178.15 179.12 1u2j h VAL 530 N 0.64 1.25 -0.84 1.67 2.07 -1.49 -3.08 116.25 116.47 1u2j h VAL 530 Ca 0.16 -0.87 0.14 0.00 0.82 0.00 0.00 66.70 66.95 1u2j h VAL 530 Cb 0.17 1.32 -0.06 0.00 -1.52 0.00 0.00 31.29 31.20 1u2j h VAL 530 CO -0.02 0.28 0.55 0.25 0.02 0.00 0.00 177.57 178.65 1u2j h LEU 531 N 0.23 0.58 -1.20 2.57 5.85 -1.04 0.57 115.31 122.87 1u2j h LEU 531 Ca 0.07 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.86 1u2j h LEU 531 Cb 0.39 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.29 1u2j h LEU 531 CO 0.01 0.30 0.55 0.00 -0.34 0.00 0.00 178.44 178.96 1u2j h ALA 532 N 1.61 1.47 -0.71 1.25 0.00 -1.05 0.62 119.26 122.45 1u2j h ALA 532 Ca 0.42 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.28 1u2j h ALA 532 Cb 0.73 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1u2j h ALA 532 CO -0.17 0.46 0.45 0.78 0.00 0.00 0.00 179.25 180.76 1u2j h GLY 533 N 1.06 1.03 0.95 0.00 0.00 -0.84 -2.18 103.07 103.09 1u2j h GLY 533 Ca 0.33 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 1u2j h GLY 533 CO -0.09 0.40 -0.12 -2.08 0.00 0.00 0.00 176.54 174.66 1u2j h VAL 534 N 0.97 0.78 -0.30 4.60 2.07 -0.79 -0.85 116.25 122.73 1u2j h VAL 534 Ca 0.26 -0.10 0.09 0.00 0.82 0.00 0.00 66.70 67.76 1u2j h VAL 534 Cb -0.06 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1u2j h VAL 534 CO -0.05 0.02 0.28 0.58 0.02 0.00 0.00 177.57 178.42 1u2j h VAL 535 N -0.37 0.55 0.18 2.57 2.07 -0.80 -0.45 116.25 119.99 1u2j h VAL 535 Ca -0.03 0.00 -0.33 0.00 0.82 0.00 0.00 66.70 67.15 1u2j h VAL 535 Cb 0.29 0.79 0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1u2j h VAL 535 CO 0.05 0.00 -1.61 1.23 0.02 0.00 0.00 177.57 177.26 1u2j h GLY 536 N 0.00 0.44 1.33 2.17 0.00 -0.65 -1.47 103.07 104.88 1u2j h GLY 536 Ca 0.14 -1.12 -0.20 0.00 0.00 0.00 0.00 47.33 46.15 1u2j h GLY 536 CO -0.00 0.98 -0.73 -2.08 0.00 0.00 0.00 176.54 174.70 1u2j h VAL 537 N 0.10 1.31 -0.14 4.60 2.07 -0.92 -1.61 116.25 121.67 1u2j h VAL 537 Ca -0.29 -1.99 -0.00 0.00 0.82 0.00 0.00 66.70 65.23 1u2j h VAL 537 Cb 2.09 1.98 -0.01 0.00 -1.52 0.00 0.00 31.29 33.83 1u2j h VAL 537 CO 0.20 0.62 0.07 -0.33 0.02 0.00 0.00 177.57 178.15 1u2j h GLU 538 N 0.46 0.20 0.03 1.57 5.08 -1.08 0.19 114.58 121.03 1u2j h GLU 538 Ca -0.04 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1u2j h GLU 538 Cb 1.34 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.55 1u2j h GLU 538 CO 0.14 0.24 -0.03 0.87 -1.00 0.00 0.00 179.01 179.24 1u2j h LYS 539 N 0.10 -0.07 -0.90 2.33 1.57 -1.25 -0.82 116.57 117.54 1u2j h LYS 539 Ca 0.05 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.92 1u2j h LYS 539 Cb 0.11 0.01 -0.11 0.00 0.08 0.00 0.00 32.23 32.32 1u2j h LYS 539 CO -0.01 -0.04 -0.58 0.00 -0.57 0.00 0.00 179.45 178.25 1u2j h ALA 540 N 0.90 -0.57 0.09 3.86 0.00 -1.13 0.48 119.26 122.89 1u2j h ALA 540 Ca 0.00 0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1u2j h ALA 540 Cb 0.06 1.33 -0.04 0.00 0.00 0.00 0.00 17.79 19.14 1u2j h ALA 540 CO -0.01 -0.97 -0.36 0.00 0.00 0.00 0.00 179.25 177.91 1u2j h ALA 541 N 0.44 -0.60 -0.88 0.00 0.00 -0.62 -1.39 119.26 116.21 1u2j h ALA 541 Ca 0.15 -0.05 0.22 0.00 0.00 0.00 0.00 54.91 55.23 1u2j h ALA 541 Cb 0.45 0.60 -0.06 0.00 0.00 0.00 0.00 17.79 18.78 1u2j h ALA 541 CO -0.88 -0.90 0.60 0.77 0.00 0.00 0.00 179.25 178.83 1u2j h SER 542 N -0.57 0.27 1.15 0.00 0.02 0.02 0.89 113.55 115.32 1u2j h SER 542 Ca 0.03 0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 60.97 1u2j h SER 542 Cb 0.61 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.13 1u2j h SER 542 CO -0.23 0.10 -0.20 0.00 -1.14 0.00 0.00 176.83 175.37 1u2j h ALA 543 N 1.60 0.97 -0.00 3.77 0.00 0.93 -2.50 119.26 124.02 1u2j h ALA 543 Ca 0.45 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1u2j h ALA 543 Cb 1.33 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1u2j h ALA 543 CO -0.12 0.25 -0.08 0.00 0.00 0.00 0.00 179.25 179.30 1u2j n ALA 544 N -2.19 2.72 -0.21 0.00 0.00 0.30 -4.90 120.51 116.24 1u2j n ALA 544 Ca 0.01 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1u2j n ALA 544 Cb 0.46 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.57 1u2j n ALA 544 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u2j n GLY 545 N 1.22 0.88 3.54 0.00 0.00 -0.75 -5.05 105.19 105.04 1u2j n GLY 545 Ca 0.16 -0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 1u2j n GLY 545 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u2j s LEU 546 N 0.00 3.00 -0.23 0.99 1.02 -0.66 -4.95 118.68 117.84 1u2j s LEU 546 Ca 0.00 -0.12 -0.11 0.00 0.02 0.00 0.00 54.13 53.92 1u2j s LEU 546 Cb 0.00 -1.66 -0.05 0.00 0.02 0.00 0.00 46.19 44.50 1u2j s LEU 546 CO 0.00 0.34 0.20 -0.55 0.02 0.00 0.00 176.35 176.36 1u2j s SER 547 N -0.92 6.18 -0.07 2.29 0.15 -1.26 -1.68 113.70 118.39 1u2j s SER 547 Ca 0.13 0.20 -0.03 0.00 0.70 0.00 0.00 55.95 56.94 1u2j s SER 547 Cb -0.11 -2.13 0.04 0.00 -1.71 0.00 0.00 66.02 62.11 1u2j s SER 547 CO 0.02 0.06 0.16 -0.63 1.20 0.00 0.00 173.24 174.05 1u2j s ILE 548 N 1.01 -0.04 -0.22 6.45 1.09 -1.26 -5.06 121.20 123.17 1u2j s ILE 548 Ca 0.10 0.16 -0.13 0.00 -1.10 0.00 0.00 60.65 59.68 1u2j s ILE 548 Cb -0.13 -0.26 -0.04 0.00 -1.06 0.00 0.00 42.46 40.96 1u2j s ILE 548 CO 0.04 0.07 0.28 -2.28 -0.10 0.00 0.00 174.94 172.95 1u2j s HIS 549 N 1.12 3.34 -0.30 3.97 5.65 -1.26 -4.85 115.29 122.96 1u2j s HIS 549 Ca -0.09 0.42 -0.11 0.00 0.25 0.00 0.00 55.06 55.54 1u2j s HIS 549 Cb -0.11 -2.40 -0.03 0.00 -1.18 0.00 0.00 32.58 28.87 1u2j s HIS 549 CO -0.06 0.03 0.17 0.08 -0.65 0.00 0.00 174.74 174.31 1u2j s VAL 550 N 1.19 4.95 0.26 0.89 1.01 -1.26 -5.06 120.40 122.38 1u2j s VAL 550 Ca 0.13 -0.15 -0.31 0.00 0.00 0.00 0.00 61.98 61.66 1u2j s VAL 550 Cb -0.14 -3.45 -0.12 0.00 0.00 0.00 0.00 36.38 32.68 1u2j s VAL 550 CO 0.06 0.15 1.64 -2.16 0.00 0.00 0.00 175.10 174.79 1u2j s PRO 551 N 1.69 4.12 0.11 2.72 0.04 -1.26 -5.02 135.00 137.41 1u2j s PRO 551 Ca 0.06 2.59 0.09 0.00 0.04 0.00 0.00 61.00 63.78 1u2j s PRO 551 Cb -0.16 -3.04 -0.04 0.00 0.04 0.00 0.00 34.50 31.29 1u2j s PRO 551 CO 0.08 -0.68 -0.22 0.12 0.04 0.00 0.00 177.00 176.34 1u2j s PHE 552 N 0.46 1.91 -0.24 0.56 5.36 -1.26 -4.94 117.98 119.83 1u2j s PHE 552 Ca 0.68 -0.41 -0.02 0.00 -0.96 0.00 0.00 56.93 56.22 1u2j s PHE 552 Cb -0.48 -1.04 0.07 0.00 -0.34 0.00 0.00 43.02 41.23 1u2j s PHE 552 CO 0.42 0.24 0.04 0.00 -1.46 0.00 0.00 175.22 174.46 1u2j s ALA 553 N -1.19 1.34 1.22 11.12 0.00 -1.26 -5.13 121.76 127.86 1u2j s ALA 553 Ca 0.09 -1.13 -0.13 0.00 0.00 0.00 0.00 51.96 50.78 1u2j s ALA 553 Cb -0.10 -1.37 0.31 0.00 0.00 0.00 0.00 23.12 21.96 1u2j s ALA 553 CO 0.05 -1.35 1.00 -2.30 0.00 0.00 0.00 175.76 173.16 1u2j n PRO 554 N 4.92 -2.77 0.00 0.00 -0.02 -1.26 -4.65 135.00 131.23 1u2j n PRO 554 Ca -0.07 -0.78 0.00 0.00 -2.02 0.00 0.00 63.50 60.63 1u2j n PRO 554 Cb 0.45 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 1u2j n PRO 554 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1u2j n GLY 555 N 1.12 1.47 3.54 -1.23 0.00 -1.26 -5.12 105.19 103.71 1u2j n GLY 555 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 1u2j n GLY 555 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u2j n ARG 556 N 0.00 0.14 -4.46 1.61 1.74 -1.26 -4.96 116.66 109.46 1u2j n ARG 556 Ca 0.00 0.10 -0.23 0.00 -0.77 0.00 0.00 57.85 56.96 1u2j n ARG 556 Cb 0.00 -2.08 -0.10 0.00 -1.02 0.00 0.00 32.46 29.26 1u2j n ARG 556 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1u2j s VAL 557 N -2.09 1.71 -0.19 1.55 -7.23 -1.26 -4.60 120.40 108.29 1u2j s VAL 557 Ca 0.67 -2.11 -0.14 0.00 -1.81 0.00 0.00 61.98 58.58 1u2j s VAL 557 Cb -0.30 -2.57 -0.04 0.00 0.56 0.00 0.00 36.38 34.03 1u2j s VAL 557 CO 0.57 -0.22 0.32 -1.81 -0.31 0.00 0.00 175.10 173.65 1u2j s ASP 558 N -3.50 6.39 0.42 4.85 1.01 -1.26 -0.16 116.67 124.42 1u2j s ASP 558 Ca 0.31 0.46 -0.13 0.00 0.71 0.00 0.00 52.55 53.90 1u2j s ASP 558 Cb 0.05 -2.20 -0.07 0.00 1.01 0.00 0.00 42.92 41.71 1u2j s ASP 558 CO 0.14 0.01 0.82 0.00 0.21 0.00 0.00 175.17 176.34 1u2j s ALA 559 N 0.94 3.28 0.45 5.23 0.00 0.11 -4.69 121.76 127.08 1u2j s ALA 559 Ca 0.16 -0.08 -0.08 0.00 0.00 0.00 0.00 51.96 51.97 1u2j s ALA 559 Cb -0.14 -2.81 -0.05 0.00 0.00 0.00 0.00 23.12 20.12 1u2j s ALA 559 CO 0.06 -0.01 0.78 1.03 0.00 0.00 0.00 175.76 177.62 1u2j s ARG 560 N -3.77 3.64 0.52 0.00 0.52 -1.26 -4.93 118.95 113.67 1u2j s ARG 560 Ca 0.53 0.33 0.19 0.00 -0.52 0.00 0.00 55.73 56.27 1u2j s ARG 560 Cb -0.10 -2.37 1.31 0.00 0.52 0.00 0.00 34.95 34.30 1u2j s ARG 560 CO 0.29 -0.14 2.09 0.37 0.02 0.00 0.00 175.30 177.93 1u2j h GLN 561 N 0.65 0.01 -0.01 3.54 5.75 -1.96 -1.72 115.11 121.38 1u2j h GLN 561 Ca -0.47 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.03 1u2j h GLN 561 Cb 1.20 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.74 1u2j h GLN 561 CO 0.63 0.01 -0.05 -0.40 -2.65 0.00 0.00 178.83 176.37 1u2j n ASP 562 N -4.48 0.79 -0.84 -0.69 5.75 -1.26 -1.06 116.55 114.76 1u2j n ASP 562 Ca 0.02 -1.09 0.08 0.00 -0.01 0.00 0.00 54.79 53.79 1u2j n ASP 562 Cb 0.27 -0.01 0.18 0.00 -1.03 0.00 0.00 41.12 40.53 1u2j n ASP 562 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1u2j n GLN 563 N -0.49 2.35 -3.74 0.11 6.02 -0.66 -4.81 117.38 116.17 1u2j n GLN 563 Ca 0.19 -2.05 -0.28 0.00 -0.01 0.00 0.00 57.00 54.85 1u2j n GLN 563 Cb 0.27 -1.36 -0.12 0.00 1.02 0.00 0.00 30.24 30.04 1u2j n GLN 563 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1u2j s THR 564 N -1.10 1.89 -0.20 5.09 2.01 -0.23 -4.23 115.64 118.88 1u2j s THR 564 Ca 0.29 -3.38 -0.29 0.00 0.31 0.00 0.00 61.69 58.62 1u2j s THR 564 Cb 0.16 -2.27 -0.04 0.00 0.01 0.00 0.00 72.50 70.36 1u2j s THR 564 CO 0.22 -1.02 1.85 -0.62 -0.69 0.00 0.00 174.62 174.36 1u2j s ASP 565 N -0.55 6.09 0.15 3.53 -1.08 -1.26 -4.84 116.67 118.72 1u2j s ASP 565 Ca 0.24 1.80 -0.16 0.00 -0.52 0.00 0.00 52.55 53.91 1u2j s ASP 565 Cb -0.09 -2.53 0.06 0.00 -1.46 0.00 0.00 42.92 38.90 1u2j s ASP 565 CO -0.12 -1.47 1.74 0.40 0.52 0.00 0.00 175.17 176.24 1u2j h ILE 566 N 6.41 0.86 -0.83 4.11 2.04 -1.87 -2.50 117.51 125.74 1u2j h ILE 566 Ca -0.38 -0.08 0.02 0.00 1.00 0.00 0.00 64.86 65.42 1u2j h ILE 566 Cb 1.19 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 37.84 1u2j h ILE 566 CO 0.99 0.04 0.55 -0.33 0.00 0.00 0.00 178.15 179.39 1u2j h GLU 567 N 0.23 1.04 0.00 2.37 5.08 -1.98 -0.77 114.58 120.54 1u2j h GLU 567 Ca 0.16 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1u2j h GLU 567 Cb 0.16 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 1u2j h GLU 567 CO -0.19 0.69 -0.03 0.52 -1.00 0.00 0.00 179.01 179.00 1u2j h MET 568 N 1.07 0.00 0.00 2.33 2.86 -1.88 -3.14 114.93 116.17 1u2j h MET 568 Ca 0.31 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.80 1u2j h MET 568 Cb -0.05 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.58 1u2j h MET 568 CO -0.08 0.01 -1.25 0.74 1.06 0.00 0.00 176.91 177.39 1u2j h PHE 569 N 0.00 0.00 -0.89 -0.22 0.04 -1.18 -3.27 116.94 111.42 1u2j h PHE 569 Ca -0.00 0.00 0.15 0.00 2.80 0.00 0.00 57.97 60.92 1u2j h PHE 569 Cb 1.01 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 39.09 1u2j h PHE 569 CO 0.00 0.56 0.57 0.93 -0.60 0.00 0.00 178.31 179.77 1u2j h GLU 570 N 0.00 0.63 -1.00 1.51 5.08 -1.09 0.29 114.58 120.00 1u2j h GLU 570 Ca -0.13 -0.04 0.14 0.00 -1.00 0.00 0.00 59.36 58.34 1u2j h GLU 570 Cb 1.54 -0.14 -0.09 0.00 0.50 0.00 0.00 28.75 30.56 1u2j h GLU 570 CO 0.05 0.42 0.63 -0.07 -1.00 0.00 0.00 179.01 179.03 1u2j h LEU 571 N 0.65 0.87 -0.01 1.33 3.38 -1.60 -2.18 115.31 117.75 1u2j h LEU 571 Ca 0.45 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.48 1u2j h LEU 571 Cb 0.78 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1u2j h LEU 571 CO -0.20 0.41 0.00 0.18 0.09 0.00 0.00 178.44 178.92 1u2j n LEU 572 N -4.66 0.85 -4.68 1.67 4.77 0.08 -4.84 117.00 110.19 1u2j n LEU 572 Ca 0.20 0.58 -0.48 0.00 -0.03 0.00 0.00 56.01 56.28 1u2j n LEU 572 Cb 0.43 -0.32 -0.05 0.00 -2.33 0.00 0.00 43.42 41.16 1u2j n LEU 572 CO 0.25 -0.19 1.38 1.21 -1.33 0.00 0.00 177.39 178.71 1u2j n GLU 573 N -2.29 2.10 -2.61 3.23 2.13 -0.82 -4.85 120.64 117.53 1u2j n GLU 573 Ca 0.05 0.77 -0.34 0.00 0.66 0.00 0.00 57.16 58.30 1u2j n GLU 573 Cb 0.43 -2.58 -0.04 0.00 0.27 0.00 0.00 31.44 29.52 1u2j n GLU 573 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1u2j s PRO 574 N 2.97 3.95 0.06 5.31 0.04 -1.26 -4.97 135.00 141.10 1u2j s PRO 574 Ca 0.88 1.32 -0.01 0.00 0.04 0.00 0.00 61.00 63.23 1u2j s PRO 574 Cb -0.71 -2.17 -0.27 0.00 0.04 0.00 0.00 34.50 31.39 1u2j s PRO 574 CO 0.48 -0.30 1.06 0.82 0.04 0.00 0.00 177.00 179.10 1u2j h ILE 575 N 1.73 1.40 -3.48 0.56 2.04 -1.92 -3.47 117.51 114.37 1u2j h ILE 575 Ca -0.49 -3.03 -0.05 0.00 1.00 0.00 0.00 64.86 62.29 1u2j h ILE 575 Cb 1.21 2.85 -0.12 0.00 -0.74 0.00 0.00 36.82 40.03 1u2j h ILE 575 CO 0.60 0.87 -0.10 0.00 0.00 0.00 0.00 178.15 179.52 1u2j s ALA 576 N -2.65 -0.70 -0.36 1.87 0.00 -1.26 0.10 121.76 118.76 1u2j s ALA 576 Ca -0.05 -0.34 0.04 0.00 0.00 0.00 0.00 51.96 51.62 1u2j s ALA 576 Cb 0.07 0.79 0.16 0.00 0.00 0.00 0.00 23.12 24.15 1u2j s ALA 576 CO 0.86 -0.71 0.43 0.34 0.00 0.00 0.00 175.76 176.69 1u2j s ASP 577 N -2.87 0.46 0.00 0.00 -1.08 -0.22 -4.94 116.67 108.02 1u2j s ASP 577 Ca 0.09 -1.15 0.19 0.00 -0.52 0.00 0.00 52.55 51.16 1u2j s ASP 577 Cb 0.01 0.96 1.10 0.00 -1.46 0.00 0.00 42.92 43.54 1u2j s ASP 577 CO -0.05 -0.26 1.60 0.61 0.52 0.00 0.00 175.17 177.59 1u2j n GLY 578 N 4.54 -0.84 0.11 2.66 0.00 -1.26 -1.08 105.19 109.32 1u2j n GLY 578 Ca 0.09 -0.12 0.13 0.00 0.00 0.00 0.00 46.02 46.12 1u2j n GLY 578 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1u2j h PHE 579 N 0.00 0.00 0.00 1.61 0.04 -1.94 -3.24 116.94 113.41 1u2j h PHE 579 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1u2j h PHE 579 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1u2j h PHE 579 CO 0.00 0.00 0.00 0.54 -0.60 0.00 0.00 178.31 178.25 1u2j n ARG 580 N -2.32 1.03 -3.87 1.51 1.74 -0.24 -4.71 116.66 109.80 1u2j n ARG 580 Ca 0.05 -0.82 -0.27 0.00 -0.77 0.00 0.00 57.85 56.03 1u2j n ARG 580 Cb 0.44 -0.70 0.02 0.00 -1.02 0.00 0.00 32.46 31.20 1u2j n ARG 580 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1u2j n ASN 581 N -0.18 -3.21 -4.54 0.55 2.85 -0.53 -1.40 115.26 108.81 1u2j n ASN 581 Ca 0.00 -0.82 -0.34 0.00 -0.11 0.00 0.00 54.58 53.31 1u2j n ASN 581 Cb 0.37 -3.81 -0.12 0.00 1.24 0.00 0.00 39.78 37.46 1u2j n ASN 581 CO 0.00 0.00 0.00 -0.47 -2.11 0.00 0.00 177.26 174.68 1u2j s TYR 582 N -3.47 2.95 -0.13 1.20 5.04 -0.68 -4.75 117.35 117.51 1u2j s TYR 582 Ca 0.40 -0.14 -0.04 0.00 -2.44 0.00 0.00 57.07 54.85 1u2j s TYR 582 Cb -0.20 -1.80 0.06 0.00 0.35 0.00 0.00 41.96 40.37 1u2j s TYR 582 CO 0.83 0.17 0.22 0.50 -1.34 0.00 0.00 175.55 175.93 1u2j s ARG 583 N -0.34 0.12 0.42 4.97 3.00 -1.26 -1.06 118.95 124.80 1u2j s ARG 583 Ca 0.05 0.58 0.05 0.00 -1.00 0.00 0.00 55.73 55.40 1u2j s ARG 583 Cb -0.12 -0.35 -0.05 0.00 0.00 0.00 0.00 34.95 34.42 1u2j s ARG 583 CO 0.02 -0.37 0.03 0.00 0.00 0.00 0.00 175.30 174.98 1u2j s ALA 584 N 2.36 3.24 -0.85 6.12 0.00 0.11 -4.93 121.76 127.82 1u2j s ALA 584 Ca 0.03 -1.67 -0.04 0.00 0.00 0.00 0.00 51.96 50.28 1u2j s ALA 584 Cb -0.13 0.28 -0.00 0.00 0.00 0.00 0.00 23.12 23.26 1u2j s ALA 584 CO -0.08 -0.15 0.69 0.54 0.00 0.00 0.00 175.76 176.76 1u2j n ARG 585 N -0.99 -1.40 0.00 0.00 1.74 -1.26 -4.77 116.66 109.97 1u2j n ARG 585 Ca -0.08 1.03 0.07 0.00 -0.77 0.00 0.00 57.85 58.09 1u2j n ARG 585 Cb 0.67 -4.24 0.36 0.00 -1.02 0.00 0.00 32.46 28.23 1u2j n ARG 585 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1u2j n LEU 586 N -2.56 0.00 -0.01 0.55 4.77 -1.26 -1.41 117.00 117.07 1u2j n LEU 586 Ca -0.13 0.19 0.11 0.00 -0.03 0.00 0.00 56.01 56.15 1u2j n LEU 586 Cb 0.59 -0.19 0.10 0.00 -2.33 0.00 0.00 43.42 41.58 1u2j n LEU 586 CO 0.60 -0.11 0.25 -0.90 -1.33 0.00 0.00 177.39 175.90 1u2j n ASP 587 N -1.19 0.73 -4.64 -1.43 5.75 -1.26 -4.80 116.55 109.72 1u2j n ASP 587 Ca 0.08 -0.59 -0.39 0.00 -0.01 0.00 0.00 54.79 53.88 1u2j n ASP 587 Cb 0.09 0.56 -0.08 0.00 -1.03 0.00 0.00 41.12 40.65 1u2j n ASP 587 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1u2j s VAL 588 N -2.98 5.19 0.00 2.12 1.01 -0.50 -5.03 120.40 120.20 1u2j s VAL 588 Ca 0.10 0.61 0.00 0.00 0.00 0.00 0.00 61.98 62.69 1u2j s VAL 588 Cb 0.17 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.85 1u2j s VAL 588 CO 0.77 0.20 0.00 -0.24 0.00 0.00 0.00 175.10 175.83 1u2j n SER 589 N 4.93 -1.49 -4.23 3.32 2.88 -1.26 -4.82 113.62 112.95 1u2j n SER 589 Ca -0.09 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.32 1u2j n SER 589 Cb 0.51 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.87 1u2j n SER 589 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1u2j s THR 590 N 0.00 1.01 0.23 2.46 -4.23 -1.26 -5.01 115.64 108.84 1u2j s THR 590 Ca 0.00 -2.02 -0.05 0.00 -1.18 0.00 0.00 61.69 58.44 1u2j s THR 590 Cb 0.00 -1.81 0.13 0.00 1.34 0.00 0.00 72.50 72.16 1u2j s THR 590 CO 0.00 -0.78 1.75 0.00 -0.54 0.00 0.00 174.62 175.06 1u2j h THR 591 N 2.83 1.25 -0.33 3.99 1.03 -1.96 0.12 112.91 119.83 1u2j h THR 591 Ca -0.36 -0.94 -0.04 0.00 -0.01 0.00 0.00 66.41 65.05 1u2j h THR 591 Cb 1.18 0.65 -0.02 0.00 -1.07 0.00 0.00 68.15 68.89 1u2j h THR 591 CO 0.64 0.35 0.03 1.05 -0.01 0.00 0.00 175.52 177.58 1u2j h GLU 592 N 0.93 0.50 -0.01 0.00 9.09 -1.97 -1.88 114.58 121.24 1u2j h GLU 592 Ca 0.19 -0.09 -0.16 0.00 0.05 0.00 0.00 59.36 59.35 1u2j h GLU 592 Cb 0.37 -0.08 0.01 0.00 -1.65 0.00 0.00 28.75 27.41 1u2j h GLU 592 CO 0.01 0.51 -0.61 0.66 0.05 0.00 0.00 179.01 179.62 1u2j h SER 593 N 0.48 0.55 -0.37 3.06 4.64 -1.53 -2.59 113.55 117.79 1u2j h SER 593 Ca 0.11 -0.75 0.11 0.00 -0.47 0.00 0.00 61.79 60.78 1u2j h SER 593 Cb 0.28 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 1u2j h SER 593 CO 0.01 1.23 0.29 -0.07 -0.87 0.00 0.00 176.83 177.42 1u2j h LEU 594 N -0.07 0.00 0.04 5.97 3.38 -0.82 -0.22 115.31 123.59 1u2j h LEU 594 Ca -0.08 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1u2j h LEU 594 Cb 1.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.07 1u2j h LEU 594 CO 0.12 0.00 -0.02 0.25 0.09 0.00 0.00 178.44 178.88 1u2j h LEU 595 N 0.00 -0.05 -0.96 1.67 5.85 -1.04 0.43 115.31 121.21 1u2j h LEU 595 Ca 0.18 -0.41 0.12 0.00 0.84 0.00 0.00 57.88 58.60 1u2j h LEU 595 Cb 0.76 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.72 1u2j h LEU 595 CO -0.00 0.39 0.59 0.40 -0.34 0.00 0.00 178.44 179.48 1u2j h ILE 596 N -0.49 0.91 0.13 4.05 2.04 -1.16 -0.31 117.51 122.68 1u2j h ILE 596 Ca -0.01 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 1u2j h ILE 596 Cb 0.45 -0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.42 1u2j h ILE 596 CO 0.01 0.17 -0.06 -0.78 0.00 0.00 0.00 178.15 177.49 1u2j h ASP 597 N 0.94 -0.14 -0.87 1.72 -0.00 -0.88 -1.29 116.42 115.90 1u2j h ASP 597 Ca 0.47 -0.14 0.07 0.00 -0.00 0.00 0.00 57.03 57.43 1u2j h ASP 597 Cb 0.46 0.04 -0.06 0.00 -0.00 0.00 0.00 39.33 39.77 1u2j h ASP 597 CO -0.26 0.06 0.53 0.50 -0.00 0.00 0.00 179.24 180.07 1u2j h LYS 598 N -0.34 0.92 -0.46 0.28 1.63 -0.70 -1.89 116.57 116.01 1u2j h LYS 598 Ca -0.02 -0.06 -0.02 0.00 -0.85 0.00 0.00 60.65 59.71 1u2j h LYS 598 Cb 0.28 -0.21 -0.02 0.00 -0.60 0.00 0.00 32.23 31.68 1u2j h LYS 598 CO 0.03 0.61 0.21 0.00 -3.45 0.00 0.00 179.45 176.85 1u2j h ALA 599 N 1.42 0.59 -0.09 5.00 0.00 -0.66 -2.13 119.26 123.39 1u2j h ALA 599 Ca 0.39 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 1u2j h ALA 599 Cb 0.22 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1u2j h ALA 599 CO -0.19 0.16 -0.21 1.96 0.00 0.00 0.00 179.25 180.98 1u2j h GLN 600 N 0.59 0.14 -0.97 0.00 4.20 -0.92 -0.78 115.11 117.39 1u2j h GLN 600 Ca 0.15 -0.04 0.04 0.00 0.06 0.00 0.00 58.65 58.87 1u2j h GLN 600 Cb 0.14 -0.02 -0.06 0.00 0.30 0.00 0.00 27.48 27.85 1u2j h GLN 600 CO -0.02 0.35 0.63 1.96 -0.67 0.00 0.00 178.83 181.09 1u2j h GLN 601 N 0.13 1.16 -0.13 1.46 4.20 -0.71 0.43 115.11 121.66 1u2j h GLN 601 Ca 0.02 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1u2j h GLN 601 Cb 0.45 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 27.97 1u2j h GLN 601 CO 0.03 0.77 0.00 1.28 -0.67 0.00 0.00 178.83 180.24 1u2j n LEU 602 N -4.45 0.81 -2.48 1.46 4.77 -0.66 -0.18 117.00 116.26 1u2j n LEU 602 Ca 0.13 -0.38 -0.15 0.00 -0.03 0.00 0.00 56.01 55.58 1u2j n LEU 602 Cb 0.12 -0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.12 1u2j n LEU 602 CO 0.34 0.19 -0.18 0.35 -1.33 0.00 0.00 177.39 176.77 1u2j n THR 603 N -0.13 -0.74 -2.91 -5.08 -2.24 0.14 -4.95 114.28 98.37 1u2j n THR 603 Ca 0.09 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.54 1u2j n THR 603 Cb 0.15 -2.12 -0.06 0.00 -2.10 0.00 0.00 70.33 66.20 1u2j n THR 603 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1u2j s LEU 604 N -5.79 3.95 0.69 3.22 1.43 -0.39 -4.98 118.68 116.82 1u2j s LEU 604 Ca 0.02 1.49 -0.09 0.00 -1.03 0.00 0.00 54.13 54.53 1u2j s LEU 604 Cb -0.01 -4.33 0.04 0.00 0.03 0.00 0.00 46.19 41.91 1u2j s LEU 604 CO 0.03 -0.32 1.04 0.42 0.23 0.00 0.00 176.35 177.74 1u2j s THR 605 N -2.15 2.94 0.21 5.49 -4.23 -1.26 -4.62 115.64 112.02 1u2j s THR 605 Ca 0.58 0.07 -0.09 0.00 -1.18 0.00 0.00 61.69 61.07 1u2j s THR 605 Cb -0.10 -3.26 0.16 0.00 1.34 0.00 0.00 72.50 70.64 1u2j s THR 605 CO 0.17 -0.31 1.83 0.00 -0.54 0.00 0.00 174.62 175.78 1u2j h ALA 606 N -0.58 1.01 -0.10 3.99 0.00 -1.98 0.24 119.26 121.83 1u2j h ALA 606 Ca -0.45 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.29 1u2j h ALA 606 Cb 1.28 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1u2j h ALA 606 CO 0.62 0.52 -0.16 -1.35 0.00 0.00 0.00 179.25 178.88 1u2j h PRO 607 N 1.09 0.15 0.05 0.00 0.11 -1.96 -1.11 132.00 130.33 1u2j h PRO 607 Ca 0.28 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.35 1u2j h PRO 607 Cb 0.04 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.13 1u2j h PRO 607 CO -0.04 0.32 -0.02 0.93 -0.21 0.00 0.00 178.00 178.97 1u2j h GLU 608 N 0.14 -0.06 -0.73 1.05 5.08 -1.40 -0.50 114.58 118.16 1u2j h GLU 608 Ca 0.03 0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.55 1u2j h GLU 608 Cb 0.38 0.01 -0.13 0.00 0.50 0.00 0.00 28.75 29.51 1u2j h GLU 608 CO 0.02 0.52 -0.04 1.98 -1.00 0.00 0.00 179.01 180.50 1u2j h MET 609 N -0.72 0.08 -0.07 2.33 4.05 -0.66 -1.21 114.93 118.74 1u2j h MET 609 Ca -0.01 -0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.40 1u2j h MET 609 Cb 0.61 -0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 31.39 1u2j h MET 609 CO 0.01 0.05 0.02 1.15 0.23 0.00 0.00 176.91 178.37 1u2j h THR 610 N 0.08 1.16 0.02 -0.77 2.02 -1.11 0.11 112.91 114.42 1u2j h THR 610 Ca 0.39 -0.48 -0.00 0.00 0.77 0.00 0.00 66.41 67.08 1u2j h THR 610 Cb 0.66 1.36 0.00 0.00 -1.74 0.00 0.00 68.15 68.43 1u2j h THR 610 CO -0.67 0.14 -0.01 0.00 0.37 0.00 0.00 175.52 175.35 1u2j h ALA 611 N 0.84 -0.03 -0.53 6.16 0.00 -0.89 -1.87 119.26 122.93 1u2j h ALA 611 Ca 0.02 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 54.95 1u2j h ALA 611 Cb 0.20 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.93 1u2j h ALA 611 CO -0.00 -0.46 0.13 1.25 0.00 0.00 0.00 179.25 180.17 1u2j h LEU 612 N -0.16 0.04 -0.07 0.00 5.85 -1.11 -0.25 115.31 119.61 1u2j h LEU 612 Ca -0.00 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 1u2j h LEU 612 Cb 0.15 0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.29 1u2j h LEU 612 CO 0.01 0.05 0.04 0.58 -0.34 0.00 0.00 178.44 178.77 1u2j h VAL 613 N 0.27 1.09 -0.04 1.05 2.07 -0.38 -0.06 116.25 120.25 1u2j h VAL 613 Ca 0.27 -0.26 -0.06 0.00 0.82 0.00 0.00 66.70 67.47 1u2j h VAL 613 Cb 0.36 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1u2j h VAL 613 CO -0.33 0.08 -0.26 1.23 0.02 0.00 0.00 177.57 178.31 1u2j h GLY 614 N 0.02 0.07 0.87 2.17 0.00 -0.72 -1.40 103.07 104.08 1u2j h GLY 614 Ca 0.03 -0.05 -0.19 0.00 0.00 0.00 0.00 47.33 47.12 1u2j h GLY 614 CO -0.00 0.04 -0.78 -1.33 0.00 0.00 0.00 176.54 174.46 1u2j h GLY 615 N 0.84 0.50 0.92 4.60 0.00 -1.01 -3.20 103.07 105.72 1u2j h GLY 615 Ca 0.01 -0.97 0.02 0.00 0.00 0.00 0.00 47.33 46.39 1u2j h GLY 615 CO 0.04 0.86 0.45 -0.33 0.00 0.00 0.00 176.54 177.55 1u2j h MET 616 N -0.06 0.86 -0.49 4.80 2.86 -0.76 -1.53 114.93 120.61 1u2j h MET 616 Ca -0.11 -0.05 0.06 0.00 -2.06 0.00 0.00 59.70 57.53 1u2j h MET 616 Cb 1.51 -0.19 -0.05 0.00 0.06 0.00 0.00 31.60 32.93 1u2j h MET 616 CO 0.15 0.57 0.21 0.00 1.06 0.00 0.00 176.91 178.90 1u2j h ARG 617 N 0.89 0.40 0.00 1.72 2.47 -1.37 -0.61 114.38 117.87 1u2j h ARG 617 Ca 0.27 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.97 1u2j h ARG 617 Cb -0.02 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.21 1u2j h ARG 617 CO -0.09 0.26 0.00 1.33 0.56 0.00 0.00 179.97 182.03 1u2j n VAL 618 N -4.95 0.41 0.79 2.04 0.24 -0.85 -2.51 118.33 113.50 1u2j n VAL 618 Ca 0.04 -0.17 0.12 0.00 -2.04 0.00 0.00 64.34 62.29 1u2j n VAL 618 Cb 0.17 -0.58 0.16 0.00 -1.47 0.00 0.00 33.84 32.12 1u2j n VAL 618 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1u2j n LEU 619 N -2.00 0.60 0.00 1.34 4.77 -0.64 0.13 117.00 121.21 1u2j n LEU 619 Ca 0.06 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 1u2j n LEU 619 Cb 0.39 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1u2j n LEU 619 CO 0.29 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 1u2j n GLY 620 N 1.43 1.03 1.62 -0.72 0.00 -1.04 -3.57 105.19 103.94 1u2j n GLY 620 Ca 0.04 -0.48 -0.00 0.00 0.00 0.00 0.00 46.02 45.58 1u2j n GLY 620 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u2j n ALA 621 N -0.85 3.84 -1.02 4.61 0.00 -0.26 -4.81 120.51 122.02 1u2j n ALA 621 Ca 0.00 -1.59 -0.34 0.00 0.00 0.00 0.00 53.44 51.52 1u2j n ALA 621 Cb 0.18 -1.15 0.12 0.00 0.00 0.00 0.00 19.45 18.60 1u2j n ALA 621 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1u2j n ASN 622 N 0.18 0.02 0.21 0.00 3.02 -1.26 -4.49 115.26 112.93 1u2j n ASN 622 Ca 0.26 0.52 0.08 0.00 -0.03 0.00 0.00 54.58 55.41 1u2j n ASN 622 Cb 1.05 -1.40 0.44 0.00 -0.61 0.00 0.00 39.78 39.26 1u2j n ASN 622 CO 0.00 0.00 0.00 2.19 -2.62 0.00 0.00 177.26 176.83 1u2j h PHE 623 N -1.06 0.00 -1.31 3.10 -5.15 -1.53 -3.45 116.94 107.54 1u2j h PHE 623 Ca -0.45 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.32 1u2j h PHE 623 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.47 1u2j h PHE 623 CO 0.43 0.29 0.00 -0.40 -2.00 0.00 0.00 178.31 176.64 1u2j n ASP 624 N -3.56 0.52 -0.68 -0.68 3.85 -1.26 -4.11 116.55 110.63 1u2j n ASP 624 Ca -0.01 0.00 0.12 0.00 -0.71 0.00 0.00 54.79 54.19 1u2j n ASP 624 Cb 0.43 0.00 0.35 0.00 -1.35 0.00 0.00 41.12 40.56 1u2j n ASP 624 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1u2j n GLY 625 N 3.23 0.55 3.41 6.12 0.00 -1.26 -4.98 105.19 112.26 1u2j n GLY 625 Ca 0.00 -0.51 -0.39 0.00 0.00 0.00 0.00 46.02 45.12 1u2j n GLY 625 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1u2j n SER 626 N 0.60 -1.69 -0.67 1.61 2.88 -1.26 -4.90 113.62 110.19 1u2j n SER 626 Ca 0.17 0.75 0.12 0.00 -1.33 0.00 0.00 58.87 58.58 1u2j n SER 626 Cb 0.41 -1.08 0.12 0.00 -0.75 0.00 0.00 64.21 62.91 1u2j n SER 626 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1u2j n LYS 627 N 0.46 1.70 -1.65 -1.46 5.02 -1.26 -4.89 118.16 116.08 1u2j n LYS 627 Ca 0.11 -1.35 -0.51 0.00 -2.02 0.00 0.00 58.31 54.54 1u2j n LYS 627 Cb 0.46 -1.47 -0.05 0.00 -0.02 0.00 0.00 35.03 33.94 1u2j n LYS 627 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1u2j n ASN 628 N 0.53 2.51 0.00 4.39 3.02 -1.26 -0.66 115.26 123.79 1u2j n ASN 628 Ca 0.12 1.08 0.00 0.00 -0.03 0.00 0.00 54.58 55.75 1u2j n ASN 628 Cb 0.50 -1.28 0.00 0.00 -0.61 0.00 0.00 39.78 38.39 1u2j n ASN 628 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1u2j n GLY 629 N 3.40 2.81 2.83 7.41 0.00 0.04 -4.88 105.19 116.80 1u2j n GLY 629 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1u2j n GLY 629 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1u2j n VAL 630 N -2.00 2.87 -1.89 1.61 0.31 0.17 -4.76 118.33 114.63 1u2j n VAL 630 Ca 0.00 -2.39 -0.41 0.00 -0.01 0.00 0.00 64.34 61.54 1u2j n VAL 630 Cb 0.00 -2.48 -0.02 0.00 -0.91 0.00 0.00 33.84 30.43 1u2j n VAL 630 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1u2j n PHE 631 N 6.33 3.38 -3.62 3.52 3.72 -1.26 -4.82 117.46 124.71 1u2j n PHE 631 Ca 0.53 -2.46 -0.10 0.00 -0.05 0.00 0.00 57.45 55.37 1u2j n PHE 631 Cb 0.37 -2.41 -0.06 0.00 -0.94 0.00 0.00 39.48 36.44 1u2j n PHE 631 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 176.76 176.63 1u2j s THR 632 N 5.06 0.00 -0.77 4.37 -1.32 -1.26 -3.84 115.64 117.88 1u2j s THR 632 Ca 0.54 0.00 0.26 0.00 -1.21 0.00 0.00 61.69 61.29 1u2j s THR 632 Cb 0.09 -1.00 0.24 0.00 -1.51 0.00 0.00 72.50 70.32 1u2j s THR 632 CO 0.04 0.00 1.73 -0.90 -2.21 0.00 0.00 174.62 173.28 1u2j n ASP 633 N 1.73 0.66 -3.93 8.08 5.75 -1.26 -4.54 116.55 123.03 1u2j n ASP 633 Ca -0.12 0.48 -0.29 0.00 -0.01 0.00 0.00 54.79 54.85 1u2j n ASP 633 Cb 0.56 -0.60 -0.13 0.00 -1.03 0.00 0.00 41.12 39.93 1u2j n ASP 633 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1u2j s ARG 634 N -3.09 2.16 0.01 0.11 1.04 -1.26 -5.08 118.95 112.84 1u2j s ARG 634 Ca 0.11 -2.91 -0.30 0.00 -1.04 0.00 0.00 55.73 51.59 1u2j s ARG 634 Cb 0.14 -3.34 -0.06 0.00 -2.04 0.00 0.00 34.95 29.64 1u2j s ARG 634 CO 0.60 -1.18 1.45 0.08 -0.04 0.00 0.00 175.30 176.22 1u2j s VAL 635 N -0.75 3.60 0.00 4.99 1.01 -1.26 -2.56 120.40 125.42 1u2j s VAL 635 Ca 0.20 0.98 0.00 0.00 0.00 0.00 0.00 61.98 63.16 1u2j s VAL 635 Cb -0.17 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.58 1u2j s VAL 635 CO -0.07 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.64 1u2j n GLY 636 N 3.73 0.83 3.53 4.51 0.00 0.35 -4.93 105.19 113.21 1u2j n GLY 636 Ca 0.14 -0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1u2j n GLY 636 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1u2j s VAL 637 N -2.00 4.02 -0.93 1.61 -7.23 -1.06 -4.37 120.40 110.44 1u2j s VAL 637 Ca 0.00 -0.31 -0.25 0.00 -1.81 0.00 0.00 61.98 59.61 1u2j s VAL 637 Cb 0.00 -2.76 -0.09 0.00 0.56 0.00 0.00 36.38 34.08 1u2j s VAL 637 CO 0.00 0.50 2.08 -0.22 -0.31 0.00 0.00 175.10 177.15 1u2j s LEU 638 N 0.27 2.99 0.33 1.32 2.96 -1.02 -4.70 118.68 120.82 1u2j s LEU 638 Ca -0.02 -0.66 0.08 0.00 -0.22 0.00 0.00 54.13 53.31 1u2j s LEU 638 Cb -0.14 -2.57 -0.04 0.00 0.50 0.00 0.00 46.19 43.94 1u2j s LEU 638 CO 0.03 -3.29 0.12 -0.94 -1.32 0.00 0.00 176.35 170.94 1u2j s SER 639 N 8.61 4.64 -0.22 3.68 1.04 -1.26 -4.82 113.70 125.37 1u2j s SER 639 Ca 0.77 -0.77 0.04 0.00 0.48 0.00 0.00 55.95 56.47 1u2j s SER 639 Cb -0.07 -0.74 0.41 0.00 0.10 0.00 0.00 66.02 65.72 1u2j s SER 639 CO 0.05 -0.26 1.43 -0.46 0.98 0.00 0.00 173.24 174.99 1u2j n ASN 640 N -1.11 3.53 0.20 7.02 6.94 -1.26 -4.53 115.26 126.05 1u2j n ASN 640 Ca -0.04 -2.80 0.03 0.00 -0.02 0.00 0.00 54.58 51.76 1u2j n ASN 640 Cb 0.61 -0.67 0.40 0.00 -2.36 0.00 0.00 39.78 37.76 1u2j n ASN 640 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 1u2j h ASP 641 N 1.11 0.00 -0.27 0.53 3.32 -1.90 -2.11 116.42 117.11 1u2j h ASP 641 Ca 0.25 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.33 1u2j h ASP 641 Cb 1.85 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 41.37 1u2j h ASP 641 CO 0.53 0.33 0.09 0.15 -1.72 0.00 0.00 179.24 178.61 1u2j h PHE 642 N 0.00 0.15 0.20 4.55 3.57 -1.80 0.17 116.94 123.79 1u2j h PHE 642 Ca -0.00 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 1u2j h PHE 642 Cb 0.59 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.30 1u2j h PHE 642 CO 0.00 0.07 -0.10 0.74 -2.23 0.00 0.00 178.31 176.79 1u2j h PHE 643 N 0.20 -0.25 -0.47 0.41 0.04 -1.73 0.56 116.94 115.71 1u2j h PHE 643 Ca 0.12 -0.01 0.08 0.00 2.80 0.00 0.00 57.97 60.96 1u2j h PHE 643 Cb 0.09 0.08 -0.07 0.00 2.20 0.00 0.00 35.95 38.26 1u2j h PHE 643 CO -0.13 0.11 0.09 0.28 -0.60 0.00 0.00 178.31 178.05 1u2j h VAL 644 N -0.65 0.73 -0.11 -0.55 2.07 -1.34 -1.47 116.25 114.93 1u2j h VAL 644 Ca -0.03 -0.08 -0.15 0.00 0.82 0.00 0.00 66.70 67.27 1u2j h VAL 644 Cb 0.47 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1u2j h VAL 644 CO 0.04 0.04 -0.57 0.78 0.02 0.00 0.00 177.57 177.88 1u2j h ASN 645 N 0.22 0.40 -0.88 0.57 2.35 -0.48 -1.53 115.58 116.23 1u2j h ASN 645 Ca 0.23 -0.22 0.02 0.00 -0.55 0.00 0.00 56.30 55.78 1u2j h ASN 645 Cb 0.31 -0.12 -0.05 0.00 0.05 0.00 0.00 38.32 38.52 1u2j h ASN 645 CO -0.31 0.89 0.58 0.25 -1.65 0.00 0.00 177.43 177.19 1u2j h LEU 646 N 0.27 0.99 0.00 1.61 5.85 0.68 -3.17 115.31 121.54 1u2j h LEU 646 Ca -0.00 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1u2j h LEU 646 Cb 1.09 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.87 1u2j h LEU 646 CO 0.10 0.71 -1.10 0.18 -0.34 0.00 0.00 178.44 177.98 1u2j n LEU 647 N -4.41 0.61 -4.68 2.25 4.77 -0.60 -4.94 117.00 110.00 1u2j n LEU 647 Ca 0.11 0.11 -0.45 0.00 -0.03 0.00 0.00 56.01 55.74 1u2j n LEU 647 Cb 0.04 -0.08 -0.04 0.00 -2.33 0.00 0.00 43.42 41.01 1u2j n LEU 647 CO 0.36 -0.04 1.29 -0.67 -1.33 0.00 0.00 177.39 177.00 1u2j n ASP 648 N -2.22 3.39 0.18 -1.43 -0.08 -0.59 -4.86 116.55 110.93 1u2j n ASP 648 Ca 0.01 1.05 0.13 0.00 -1.51 0.00 0.00 54.79 54.48 1u2j n ASP 648 Cb 0.49 -1.46 0.43 0.00 2.34 0.00 0.00 41.12 42.92 1u2j n ASP 648 CO 0.00 0.00 0.00 0.24 0.12 0.00 0.00 177.20 177.56 1u2j h MET 649 N 6.76 0.00 0.00 -0.67 2.86 -1.91 -3.05 114.93 118.92 1u2j h MET 649 Ca -0.45 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.19 1u2j h MET 649 Cb 1.24 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.90 1u2j h MET 649 CO 0.91 0.00 0.04 0.07 1.06 0.00 0.00 176.91 178.99 1u2j h ARG 650 N 0.00 0.00 -5.39 1.72 0.11 -1.95 -3.43 114.38 105.44 1u2j h ARG 650 Ca 0.00 0.00 -0.65 0.00 0.10 0.00 0.00 59.98 59.43 1u2j h ARG 650 Cb 0.67 0.00 -0.25 0.00 1.11 0.00 0.00 29.97 31.49 1u2j h ARG 650 CO 0.00 0.00 -0.74 0.71 0.10 0.00 0.00 179.97 180.04 1u2j s TYR 651 N -3.55 2.86 -0.19 4.08 4.12 -1.15 -1.17 117.35 122.34 1u2j s TYR 651 Ca -0.02 -0.52 -0.09 0.00 0.02 0.00 0.00 57.07 56.46 1u2j s TYR 651 Cb 0.06 -1.85 -0.04 0.00 -1.52 0.00 0.00 41.96 38.60 1u2j s TYR 651 CO 0.20 -0.13 0.09 -2.00 0.02 0.00 0.00 175.55 173.73 1u2j s GLU 652 N 0.26 4.07 -0.13 -0.62 2.12 0.15 -4.84 118.70 119.71 1u2j s GLU 652 Ca -0.08 -0.29 -0.03 0.00 0.36 0.00 0.00 54.97 54.93 1u2j s GLU 652 Cb -0.15 -3.31 -0.03 0.00 0.26 0.00 0.00 34.13 30.89 1u2j s GLU 652 CO 0.05 0.28 -0.02 -1.58 -0.54 0.00 0.00 175.26 173.45 1u2j s TRP 653 N 0.39 3.08 -0.08 5.30 0.52 -1.26 0.27 118.94 127.17 1u2j s TRP 653 Ca 0.05 -0.09 -0.08 0.00 0.02 0.00 0.00 56.10 56.00 1u2j s TRP 653 Cb -0.12 -1.91 0.02 0.00 -1.15 0.00 0.00 33.47 30.31 1u2j s TRP 653 CO -0.01 0.15 0.22 0.15 0.02 0.00 0.00 176.95 177.49 1u2j s LYS 654 N -0.05 0.30 0.20 4.98 1.02 -0.75 -4.95 119.74 120.49 1u2j s LYS 654 Ca 0.03 0.24 -0.30 0.00 0.02 0.00 0.00 55.97 55.95 1u2j s LYS 654 Cb -0.13 0.14 -0.09 0.00 -0.52 0.00 0.00 37.83 37.23 1u2j s LYS 654 CO 0.02 -0.04 1.40 0.00 -0.92 0.00 0.00 175.35 175.81 1u2j s ALA 655 N -0.05 3.61 0.20 5.17 0.00 -1.26 -0.71 121.76 128.71 1u2j s ALA 655 Ca -0.02 1.22 0.16 0.00 0.00 0.00 0.00 51.96 53.32 1u2j s ALA 655 Cb -0.02 -3.54 0.56 0.00 0.00 0.00 0.00 23.12 20.12 1u2j s ALA 655 CO 0.01 -0.65 1.69 1.79 0.00 0.00 0.00 175.76 178.59 1u2j h THR 656 N 3.80 1.08 -3.39 0.00 1.35 -1.59 -3.47 112.91 110.69 1u2j h THR 656 Ca -0.44 -1.74 -0.13 0.00 -0.55 0.00 0.00 66.41 63.55 1u2j h THR 656 Cb 1.21 2.01 -0.02 0.00 -1.73 0.00 0.00 68.15 69.62 1u2j h THR 656 CO 0.81 0.45 0.12 -0.90 -0.25 0.00 0.00 175.52 175.75 1u2j n ASP 657 N -3.63 -1.95 -0.35 5.36 5.68 -1.26 -5.05 116.55 115.35 1u2j n ASP 657 Ca -0.01 -2.72 0.16 0.00 -0.50 0.00 0.00 54.79 51.72 1u2j n ASP 657 Cb 0.55 3.36 0.37 0.00 -1.14 0.00 0.00 41.12 44.25 1u2j n ASP 657 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1u2j h GLU 658 N 0.00 0.64 0.00 0.11 4.11 -1.98 0.15 114.58 117.61 1u2j h GLU 658 Ca -0.31 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.08 1u2j h GLU 658 Cb 1.23 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1u2j h GLU 658 CO 0.41 0.42 0.00 -1.13 0.07 0.00 0.00 179.01 178.78 1u2j n SER 659 N -4.81 0.70 -4.39 3.06 3.41 -1.26 -4.91 113.62 105.43 1u2j n SER 659 Ca 0.25 0.65 -0.36 0.00 -0.26 0.00 0.00 58.87 59.15 1u2j n SER 659 Cb 0.67 -0.81 -0.08 0.00 -0.26 0.00 0.00 64.21 63.74 1u2j n SER 659 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1u2j n LYS 660 N -2.24 -1.22 0.00 4.33 5.02 0.54 -4.83 118.16 119.75 1u2j n LYS 660 Ca 0.03 0.16 0.12 0.00 -2.02 0.00 0.00 58.31 56.60 1u2j n LYS 660 Cb 0.27 -4.30 0.25 0.00 -0.02 0.00 0.00 35.03 31.22 1u2j n LYS 660 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1u2j n GLU 661 N -4.32 1.07 -3.79 1.97 -0.58 -1.26 -4.71 120.64 109.01 1u2j n GLU 661 Ca -0.09 -0.75 -0.13 0.00 -0.42 0.00 0.00 57.16 55.77 1u2j n GLU 661 Cb 0.57 -1.48 -0.14 0.00 -0.57 0.00 0.00 31.44 29.81 1u2j n GLU 661 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1u2j s LEU 662 N -2.44 1.17 0.17 -4.62 2.96 -1.26 -4.17 118.68 110.48 1u2j s LEU 662 Ca 0.23 0.22 0.07 0.00 -0.22 0.00 0.00 54.13 54.43 1u2j s LEU 662 Cb 0.19 0.29 -0.04 0.00 0.50 0.00 0.00 46.19 47.13 1u2j s LEU 662 CO 0.52 -0.10 -0.14 -0.36 -1.32 0.00 0.00 176.35 174.96 1u2j s PHE 663 N 0.66 1.55 0.00 5.38 0.40 0.28 -1.43 117.98 124.82 1u2j s PHE 663 Ca -0.05 -0.60 0.07 0.00 -0.60 0.00 0.00 56.93 55.75 1u2j s PHE 663 Cb -0.07 -0.76 -0.02 0.00 0.51 0.00 0.00 43.02 42.69 1u2j s PHE 663 CO -0.03 0.25 -0.23 -1.21 0.70 0.00 0.00 175.22 174.69 1u2j s GLU 664 N -3.38 1.79 -0.49 0.44 2.02 0.11 -1.63 118.70 117.56 1u2j s GLU 664 Ca 0.18 -0.88 -0.12 0.00 0.02 0.00 0.00 54.97 54.16 1u2j s GLU 664 Cb -0.01 -1.79 0.12 0.00 0.10 0.00 0.00 34.13 32.55 1u2j s GLU 664 CO 0.04 0.48 0.39 0.20 0.02 0.00 0.00 175.26 176.40 1u2j s GLY 665 N -0.74 2.05 0.02 -1.39 0.00 0.69 -1.81 107.32 106.15 1u2j s GLY 665 Ca 0.09 -2.47 -0.14 0.00 0.00 0.00 0.00 44.72 42.20 1u2j s GLY 665 CO -0.00 1.12 0.42 -1.60 0.00 0.00 0.00 173.10 173.04 1u2j s ARG 666 N 1.46 3.90 -0.37 2.90 3.52 0.14 -1.18 118.95 129.32 1u2j s ARG 666 Ca 0.04 0.39 -0.27 0.00 -0.13 0.00 0.00 55.73 55.76 1u2j s ARG 666 Cb -0.27 -3.17 0.02 0.00 -1.56 0.00 0.00 34.95 29.97 1u2j s ARG 666 CO 0.01 0.66 0.97 0.34 -0.81 0.00 0.00 175.30 176.48 1u2j s ASP 667 N -1.22 6.72 0.28 -2.12 -1.08 0.22 0.31 116.67 119.79 1u2j s ASP 667 Ca 0.26 0.66 -0.02 0.00 -0.52 0.00 0.00 52.55 52.93 1u2j s ASP 667 Cb -0.16 -2.49 0.43 0.00 -1.46 0.00 0.00 42.92 39.24 1u2j s ASP 667 CO 0.15 -0.90 1.91 0.03 0.52 0.00 0.00 175.17 176.88 1u2j h ARG 668 N 8.47 1.12 0.11 4.34 3.08 -1.48 0.25 114.38 130.27 1u2j h ARG 668 Ca -0.23 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.75 1u2j h ARG 668 Cb 1.07 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.87 1u2j h ARG 668 CO 1.00 0.74 -0.05 0.93 -1.07 0.00 0.00 179.97 181.53 1u2j h GLU 669 N 1.16 -0.14 -0.02 0.04 5.08 -1.92 -3.37 114.58 115.41 1u2j h GLU 669 Ca 0.39 0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 58.62 1u2j h GLU 669 Cb 0.07 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1u2j h GLU 669 CO -0.13 0.11 -0.64 1.79 -1.00 0.00 0.00 179.01 179.14 1u2j h THR 670 N -1.01 1.44 0.00 1.13 1.35 -1.96 -3.47 112.91 110.39 1u2j h THR 670 Ca -0.01 -2.15 0.00 0.00 -0.55 0.00 0.00 66.41 63.69 1u2j h THR 670 Cb 0.32 2.14 0.00 0.00 -1.73 0.00 0.00 68.15 68.88 1u2j h THR 670 CO 0.02 0.62 0.00 0.61 -0.25 0.00 0.00 175.52 176.53 1u2j n GLY 671 N 0.33 0.72 3.74 5.82 0.00 0.88 -5.06 105.19 111.62 1u2j n GLY 671 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 1u2j n GLY 671 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1u2j s GLU 672 N -0.41 4.49 -0.42 1.61 -1.05 -1.24 -4.74 118.70 116.94 1u2j s GLU 672 Ca 0.00 1.05 -0.27 0.00 -0.15 0.00 0.00 54.97 55.60 1u2j s GLU 672 Cb 0.00 -3.39 -0.04 0.00 -0.44 0.00 0.00 34.13 30.26 1u2j s GLU 672 CO 0.00 0.21 2.06 0.08 0.95 0.00 0.00 175.26 178.56 1u2j s VAL 673 N 0.21 3.23 -0.15 1.83 1.01 -1.26 -0.61 120.40 124.67 1u2j s VAL 673 Ca 0.39 0.20 -0.12 0.00 0.00 0.00 0.00 61.98 62.45 1u2j s VAL 673 Cb -0.20 -3.43 -0.24 0.00 0.00 0.00 0.00 36.38 32.51 1u2j s VAL 673 CO 0.22 -0.35 0.33 0.50 0.00 0.00 0.00 175.10 175.81 1u2j h LYS 674 N 15.57 0.18 -5.61 2.72 1.63 -1.50 -3.48 116.57 126.09 1u2j h LYS 674 Ca -0.31 -0.31 -0.45 0.00 -0.85 0.00 0.00 60.65 58.72 1u2j h LYS 674 Cb 1.21 0.12 -0.16 0.00 -0.60 0.00 0.00 32.23 32.79 1u2j h LYS 674 CO 1.10 1.15 -0.75 -0.06 -3.45 0.00 0.00 179.45 177.43 1u2j s PHE 675 N -2.49 1.64 0.24 1.91 0.08 -0.96 -4.96 117.98 113.44 1u2j s PHE 675 Ca -0.24 -0.55 0.10 0.00 0.12 0.00 0.00 56.93 56.36 1u2j s PHE 675 Cb 0.06 -0.80 -0.05 0.00 -0.57 0.00 0.00 43.02 41.66 1u2j s PHE 675 CO 0.71 0.28 -0.18 0.95 -0.10 0.00 0.00 175.22 176.89 1u2j s THR 676 N -2.53 2.13 -0.14 0.64 -4.23 -1.26 -0.22 115.64 110.04 1u2j s THR 676 Ca 0.17 -2.30 -0.25 0.00 -1.18 0.00 0.00 61.69 58.13 1u2j s THR 676 Cb -0.03 -2.17 0.06 0.00 1.34 0.00 0.00 72.50 71.70 1u2j s THR 676 CO 0.05 -0.47 0.62 0.00 -0.54 0.00 0.00 174.62 174.28 1u2j s ALA 677 N -2.67 -1.58 0.42 3.99 0.00 -0.65 -0.78 121.76 120.50 1u2j s ALA 677 Ca 0.26 1.45 0.06 0.00 0.00 0.00 0.00 51.96 53.73 1u2j s ALA 677 Cb -0.03 -0.50 0.06 0.00 0.00 0.00 0.00 23.12 22.65 1u2j s ALA 677 CO 0.11 -0.33 0.50 -1.13 0.00 0.00 0.00 175.76 174.91 1u2j n SER 678 N 1.82 1.81 0.12 0.00 3.41 -1.26 -0.55 113.62 118.97 1u2j n SER 678 Ca -0.17 -2.23 -0.02 0.00 -0.26 0.00 0.00 58.87 56.19 1u2j n SER 678 Cb 0.56 -0.22 0.19 0.00 -0.26 0.00 0.00 64.21 64.48 1u2j n SER 678 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1u2j h ARG 679 N 0.00 0.11 -0.20 4.33 3.08 -1.85 -2.24 114.38 117.61 1u2j h ARG 679 Ca -0.22 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 59.71 1u2j h ARG 679 Cb 0.93 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.98 1u2j h ARG 679 CO 0.33 0.63 -0.11 0.00 -1.07 0.00 0.00 179.97 179.74 1u2j h ALA 680 N 1.36 1.44 0.38 0.04 0.00 -1.94 -0.05 119.26 120.48 1u2j h ALA 680 Ca -0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1u2j h ALA 680 Cb 1.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1u2j h ALA 680 CO 0.08 0.39 -0.18 -0.44 0.00 0.00 0.00 179.25 179.10 1u2j h ASP 681 N 0.30 -0.43 -0.28 0.00 3.32 -1.85 -3.38 116.42 114.10 1u2j h ASP 681 Ca 0.06 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.06 1u2j h ASP 681 Cb 0.39 0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.04 1u2j h ASP 681 CO 0.02 -0.10 -0.02 -0.07 -1.72 0.00 0.00 179.24 177.35 1u2j h LEU 682 N -0.92 0.60 -1.84 1.55 4.07 -1.40 -2.35 115.31 115.01 1u2j h LEU 682 Ca -0.05 -0.13 0.32 0.00 0.08 0.00 0.00 57.88 58.10 1u2j h LEU 682 Cb 0.39 -0.16 -0.04 0.00 1.08 0.00 0.00 40.66 41.93 1u2j h LEU 682 CO 0.09 0.68 0.90 1.62 -1.08 0.00 0.00 178.44 180.65 1u2j h VAL 683 N 0.59 0.29 0.00 1.22 3.04 -1.17 0.81 116.25 121.03 1u2j h VAL 683 Ca 0.12 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.78 1u2j h VAL 683 Cb 0.41 0.34 -0.00 0.00 -2.01 0.00 0.00 31.29 30.02 1u2j h VAL 683 CO 0.02 0.00 -0.13 -0.26 -1.01 0.00 0.00 177.57 176.19 1u2j h PHE 684 N 0.00 0.00 0.00 3.17 0.04 -1.62 -2.10 116.94 116.43 1u2j h PHE 684 Ca 0.52 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.29 1u2j h PHE 684 Cb 2.32 0.00 0.00 0.00 2.20 0.00 0.00 35.95 40.47 1u2j h PHE 684 CO 0.00 0.13 -1.11 0.41 -0.60 0.00 0.00 178.31 177.14 1u2j n GLY 685 N -0.56 -1.27 0.13 -1.45 0.00 0.28 -3.13 105.19 99.19 1u2j n GLY 685 Ca -0.01 -0.36 -0.27 0.00 0.00 0.00 0.00 46.02 45.37 1u2j n GLY 685 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1u2j n SER 686 N -2.21 1.96 -4.70 1.61 3.41 -0.90 -4.90 113.62 107.89 1u2j n SER 686 Ca 0.01 0.28 -0.42 0.00 -0.26 0.00 0.00 58.87 58.47 1u2j n SER 686 Cb 0.48 -0.78 -0.03 0.00 -0.26 0.00 0.00 64.21 63.62 1u2j n SER 686 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1u2j n ASN 687 N -4.12 4.02 -0.02 4.04 5.15 -0.81 -4.93 115.26 118.59 1u2j n ASN 687 Ca -0.51 1.01 -0.09 0.00 -0.60 0.00 0.00 54.58 54.39 1u2j n ASN 687 Cb 0.89 -1.55 -0.04 0.00 -0.53 0.00 0.00 39.78 38.54 1u2j n ASN 687 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 1u2j h SER 688 N 7.89 -0.11 -0.94 1.20 4.64 -1.91 -1.27 113.55 123.05 1u2j h SER 688 Ca -0.45 0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1u2j h SER 688 Cb 1.22 0.08 -0.05 0.00 -0.31 0.00 0.00 62.40 63.34 1u2j h SER 688 CO 0.95 -0.04 0.58 0.58 -0.87 0.00 0.00 176.83 178.04 1u2j h VAL 689 N 0.02 1.25 -0.01 0.95 2.07 -1.97 -2.27 116.25 116.29 1u2j h VAL 689 Ca 0.08 -0.53 -0.13 0.00 0.82 0.00 0.00 66.70 66.93 1u2j h VAL 689 Cb 0.11 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 29.77 1u2j h VAL 689 CO -0.15 0.26 -0.62 -0.07 0.02 0.00 0.00 177.57 177.02 1u2j h LEU 690 N 1.29 0.06 -0.41 2.57 3.38 -1.79 -2.99 115.31 117.43 1u2j h LEU 690 Ca 0.34 -0.04 -0.17 0.00 0.09 0.00 0.00 57.88 58.10 1u2j h LEU 690 Cb -0.08 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 1u2j h LEU 690 CO -0.07 0.66 -0.57 -0.09 0.09 0.00 0.00 178.44 178.47 1u2j h ARG 691 N 0.04 0.69 -0.16 1.13 2.43 -0.77 0.13 114.38 117.87 1u2j h ARG 691 Ca -0.01 -0.44 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 1u2j h ARG 691 Cb 1.10 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.69 1u2j h ARG 691 CO 0.08 1.06 0.10 0.00 -1.51 0.00 0.00 179.97 179.71 1u2j h ALA 692 N 0.84 1.89 0.17 2.80 0.00 -1.34 -1.37 119.26 122.25 1u2j h ALA 692 Ca 0.01 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.64 1u2j h ALA 692 Cb 1.14 -0.06 0.03 0.00 0.00 0.00 0.00 17.79 18.90 1u2j h ALA 692 CO 0.11 0.10 -1.15 0.28 0.00 0.00 0.00 179.25 178.60 1u2j h VAL 693 N 0.21 1.37 -1.00 0.00 2.07 -1.19 -3.21 116.25 114.50 1u2j h VAL 693 Ca 0.06 -2.55 0.05 0.00 0.82 0.00 0.00 66.70 65.08 1u2j h VAL 693 Cb -0.02 2.99 -0.06 0.00 -1.52 0.00 0.00 31.29 32.68 1u2j h VAL 693 CO -0.01 0.75 0.65 0.00 0.02 0.00 0.00 177.57 178.98 1u2j h ALA 694 N 0.17 1.35 0.00 1.67 0.00 -0.57 -2.70 119.26 119.18 1u2j h ALA 694 Ca -0.19 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 1u2j h ALA 694 Cb 1.88 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 1u2j h ALA 694 CO 0.22 0.51 -0.42 1.05 0.00 0.00 0.00 179.25 180.61 1u2j h GLU 695 N 1.23 0.00 -0.52 0.00 4.11 -1.34 -0.13 114.58 117.93 1u2j h GLU 695 Ca 0.41 0.00 0.08 0.00 0.07 0.00 0.00 59.36 59.93 1u2j h GLU 695 Cb 0.07 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.25 1u2j h GLU 695 CO -0.14 0.42 0.14 0.28 0.07 0.00 0.00 179.01 179.77 1u2j h VAL 696 N 0.00 0.75 0.00 -1.06 2.07 -1.48 -2.66 116.25 113.87 1u2j h VAL 696 Ca -0.00 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.42 1u2j h VAL 696 Cb 0.90 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1u2j h VAL 696 CO 0.05 0.05 -0.24 -1.22 0.02 0.00 0.00 177.57 176.23 1u2j n TYR 697 N -5.07 0.37 0.95 1.57 4.01 -0.54 -2.65 117.16 115.79 1u2j n TYR 697 Ca 0.06 0.11 0.12 0.00 -0.16 0.00 0.00 57.90 58.03 1u2j n TYR 697 Cb 0.24 -0.60 0.57 0.00 -0.31 0.00 0.00 39.34 39.25 1u2j n TYR 697 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1u2j n ALA 698 N -1.65 2.20 -1.68 -0.72 0.00 -0.17 -4.63 120.51 113.86 1u2j n ALA 698 Ca 0.05 -0.09 -0.43 0.00 0.00 0.00 0.00 53.44 52.97 1u2j n ALA 698 Cb 0.38 -1.42 -0.03 0.00 0.00 0.00 0.00 19.45 18.38 1u2j n ALA 698 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1u2j n SER 699 N -1.46 4.04 -0.18 0.00 7.64 -1.09 -4.68 113.62 117.89 1u2j n SER 699 Ca 0.07 0.97 0.16 0.00 1.01 0.00 0.00 58.87 61.09 1u2j n SER 699 Cb 0.29 -1.54 0.25 0.00 -1.01 0.00 0.00 64.21 62.20 1u2j n SER 699 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1u2j n SER 700 N 5.94 0.00 -0.35 6.43 3.41 -1.26 0.11 113.62 127.89 1u2j n SER 700 Ca 0.18 0.35 0.06 0.00 -0.26 0.00 0.00 58.87 59.21 1u2j n SER 700 Cb 0.37 -0.15 0.01 0.00 -0.26 0.00 0.00 64.21 64.19 1u2j n SER 700 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1u2j n ASP 701 N -2.40 1.58 -0.43 4.04 5.68 -1.26 -4.77 116.55 118.99 1u2j n ASP 701 Ca 0.14 -1.29 0.13 0.00 -0.50 0.00 0.00 54.79 53.26 1u2j n ASP 701 Cb 0.72 0.36 0.32 0.00 -1.14 0.00 0.00 41.12 41.38 1u2j n ASP 701 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1u2j n ALA 702 N 0.04 2.96 -0.13 2.12 0.00 0.30 -4.49 120.51 121.32 1u2j n ALA 702 Ca 0.06 -0.49 -0.03 0.00 0.00 0.00 0.00 53.44 52.98 1u2j n ALA 702 Cb 0.29 -1.05 -0.03 0.00 0.00 0.00 0.00 19.45 18.66 1u2j n ALA 702 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1u2j n HIS 703 N -0.10 -0.13 -0.29 0.00 -0.00 -1.26 -0.35 115.22 113.09 1u2j n HIS 703 Ca 0.14 0.37 -0.03 0.00 0.46 0.00 0.00 57.72 58.66 1u2j n HIS 703 Cb 0.40 -0.43 0.13 0.00 -0.12 0.00 0.00 29.99 29.96 1u2j n HIS 703 CO 0.00 0.00 0.00 0.93 0.46 0.00 0.00 176.34 177.73 1u2j h GLU 704 N 0.00 1.16 -0.25 1.57 5.08 -1.99 0.47 114.58 120.61 1u2j h GLU 704 Ca 0.05 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 1u2j h GLU 704 Cb 0.12 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1u2j h GLU 704 CO -0.28 0.86 0.06 -0.22 -1.00 0.00 0.00 179.01 178.43 1u2j h LYS 705 N 1.16 0.41 0.06 2.33 3.11 -1.59 -0.56 116.57 121.50 1u2j h LYS 705 Ca 0.29 -0.10 0.03 0.00 -2.81 0.00 0.00 60.65 58.06 1u2j h LYS 705 Cb 0.05 -0.05 -0.04 0.00 -1.00 0.00 0.00 32.23 31.18 1u2j h LYS 705 CO -0.04 0.51 -0.32 0.35 -2.81 0.00 0.00 179.45 177.13 1u2j h PHE 706 N 0.24 -0.88 0.11 1.91 3.57 0.11 -0.51 116.94 121.49 1u2j h PHE 706 Ca 0.08 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.62 1u2j h PHE 706 Cb 0.28 0.38 -0.05 0.00 2.79 0.00 0.00 35.95 39.36 1u2j h PHE 706 CO 0.01 -0.42 -0.40 0.28 -2.23 0.00 0.00 178.31 175.55 1u2j h VAL 707 N -0.51 0.18 -0.61 1.41 2.07 -0.83 0.30 116.25 118.26 1u2j h VAL 707 Ca 0.04 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.68 1u2j h VAL 707 Cb 0.57 0.18 -0.12 0.00 -1.52 0.00 0.00 31.29 30.40 1u2j h VAL 707 CO -0.23 0.00 -0.24 0.50 0.02 0.00 0.00 177.57 177.62 1u2j h LYS 708 N -0.64 -0.08 -0.61 1.57 3.64 -0.99 0.33 116.57 119.79 1u2j h LYS 708 Ca 0.02 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 1u2j h LYS 708 Cb 0.67 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.47 1u2j h LYS 708 CO -0.24 -0.05 0.30 -0.44 -2.27 0.00 0.00 179.45 176.75 1u2j h ASP 709 N -0.08 0.77 0.30 4.20 3.45 -0.22 0.17 116.42 125.01 1u2j h ASP 709 Ca 0.27 -0.07 -0.01 0.00 0.43 0.00 0.00 57.03 57.65 1u2j h ASP 709 Cb 0.51 -0.20 0.00 0.00 -0.56 0.00 0.00 39.33 39.09 1u2j h ASP 709 CO -0.67 0.64 -0.14 0.15 -1.57 0.00 0.00 179.24 177.65 1u2j h PHE 710 N 0.86 -0.37 -0.73 4.55 3.57 0.11 -1.00 116.94 123.92 1u2j h PHE 710 Ca 0.21 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.83 1u2j h PHE 710 Cb 0.07 0.12 -0.13 0.00 2.79 0.00 0.00 35.95 38.80 1u2j h PHE 710 CO 0.01 -0.02 -0.33 0.28 -2.23 0.00 0.00 178.31 176.01 1u2j h VAL 711 N -0.82 0.13 -0.60 1.41 2.07 -0.26 0.55 116.25 118.73 1u2j h VAL 711 Ca -0.04 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 1u2j h VAL 711 Cb 0.52 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 1u2j h VAL 711 CO 0.07 0.00 0.35 0.00 0.02 0.00 0.00 177.57 178.01 1u2j h ALA 712 N 1.22 1.48 0.22 1.67 0.00 -0.57 -0.20 119.26 123.09 1u2j h ALA 712 Ca 0.29 -0.08 -0.33 0.00 0.00 0.00 0.00 54.91 54.79 1u2j h ALA 712 Cb 0.57 -0.24 0.03 0.00 0.00 0.00 0.00 17.79 18.14 1u2j h ALA 712 CO -0.78 0.44 -1.47 0.00 0.00 0.00 0.00 179.25 177.44 1u2j h ALA 713 N 1.56 -0.07 -0.52 0.00 0.00 0.25 -0.73 119.26 119.74 1u2j h ALA 713 Ca 0.22 -0.90 0.10 0.00 0.00 0.00 0.00 54.91 54.32 1u2j h ALA 713 Cb -0.01 0.18 -0.08 0.00 0.00 0.00 0.00 17.79 17.88 1u2j h ALA 713 CO -0.04 0.80 0.07 2.35 0.00 0.00 0.00 179.25 182.43 1u2j h TRP 714 N 0.13 0.10 -0.31 0.00 2.91 0.28 -1.17 115.95 117.89 1u2j h TRP 714 Ca -0.24 0.03 -0.14 0.00 1.13 0.00 0.00 58.89 59.67 1u2j h TRP 714 Cb 2.13 0.03 -0.00 0.00 -0.51 0.00 0.00 29.16 30.81 1u2j h TRP 714 CO 0.11 -0.05 -0.36 0.28 -1.03 0.00 0.00 178.44 177.39 1u2j h VAL 715 N 0.20 1.29 -0.56 2.65 2.07 -1.00 -1.47 116.25 119.42 1u2j h VAL 715 Ca 0.27 -1.53 0.10 0.00 0.82 0.00 0.00 66.70 66.36 1u2j h VAL 715 Cb 0.38 1.54 -0.08 0.00 -1.52 0.00 0.00 31.29 31.61 1u2j h VAL 715 CO -0.38 0.50 0.11 0.50 0.02 0.00 0.00 177.57 178.32 1u2j h LYS 716 N 0.57 0.23 -0.27 1.57 3.64 -0.73 -1.73 116.57 119.85 1u2j h LYS 716 Ca 0.04 -0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.27 1u2j h LYS 716 Cb 0.94 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.70 1u2j h LYS 716 CO 0.09 0.15 -0.42 0.28 -2.27 0.00 0.00 179.45 177.28 1u2j h VAL 717 N 0.24 1.30 -0.56 2.00 2.07 -0.95 -2.66 116.25 117.68 1u2j h VAL 717 Ca 0.29 -1.59 0.07 0.00 0.82 0.00 0.00 66.70 66.29 1u2j h VAL 717 Cb 0.42 1.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 1u2j h VAL 717 CO -0.39 0.51 0.37 0.24 0.02 0.00 0.00 177.57 178.33 1u2j h MET 718 N 0.53 0.47 -0.22 1.57 2.86 -0.39 -2.89 114.93 116.85 1u2j h MET 718 Ca 0.04 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1u2j h MET 718 Cb 0.94 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.50 1u2j h MET 718 CO 0.09 0.31 0.00 0.09 1.06 0.00 0.00 176.91 178.45 1u2j n ASN 719 N -4.47 3.48 -0.30 1.22 3.02 -0.93 -4.63 115.26 112.65 1u2j n ASN 719 Ca 0.08 -2.88 0.14 0.00 -0.03 0.00 0.00 54.58 51.88 1u2j n ASN 719 Cb 0.27 -0.47 0.39 0.00 -0.61 0.00 0.00 39.78 39.35 1u2j n ASN 719 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1u2j h LEU 720 N 1.49 0.65 -2.68 3.41 3.38 -1.32 -0.98 115.31 119.26 1u2j h LEU 720 Ca 0.00 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1u2j h LEU 720 Cb 1.27 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1u2j h LEU 720 CO 0.16 0.28 0.00 -0.90 0.09 0.00 0.00 178.44 178.07 1u2j n ASP 721 N -4.61 3.70 -2.15 -0.43 5.68 -1.26 -4.67 116.55 112.81 1u2j n ASP 721 Ca 0.20 -1.99 -0.11 0.00 -0.50 0.00 0.00 54.79 52.39 1u2j n ASP 721 Cb 0.56 -0.40 -0.13 0.00 -1.14 0.00 0.00 41.12 40.00 1u2j n ASP 721 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1u2j n ARG 722 N 1.45 1.70 -0.34 0.11 5.12 -0.37 -4.56 116.66 119.77 1u2j n ARG 722 Ca 0.22 -0.87 0.12 0.00 -1.93 0.00 0.00 57.85 55.38 1u2j n ARG 722 Cb 0.59 -1.94 0.30 0.00 -1.16 0.00 0.00 32.46 30.24 1u2j n ARG 722 CO 0.00 0.00 0.00 0.74 -1.93 0.00 0.00 177.63 176.44 1u2j h PHE 723 N 3.65 0.98 0.00 -1.55 0.04 -1.84 -0.31 116.94 117.91 1u2j h PHE 723 Ca 0.18 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.99 1u2j h PHE 723 Cb 1.19 -0.29 0.00 0.00 2.20 0.00 0.00 35.95 39.05 1u2j h PHE 723 CO 1.66 0.20 0.00 -0.40 -0.60 0.00 0.00 178.31 179.17 1u2j n ASP 724 N -4.81 0.00 -0.03 2.17 5.68 -1.26 -2.55 116.55 115.74 1u2j n ASP 724 Ca 0.22 -0.17 -0.02 0.00 -0.50 0.00 0.00 54.79 54.31 1u2j n ASP 724 Cb 0.55 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.47 1u2j n ASP 724 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1u2j n LEU 725 N -0.79 0.00 0.00 -2.12 4.77 -0.13 -5.21 117.00 113.52 1u2j n LEU 725 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1u2j n LEU 725 Cb 0.01 0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1u2j n LEU 725 CO 0.01 0.17 0.12 -0.11 -1.33 0.00 0.00 177.39 176.25