#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u2j n ILE 433 N 0.00 0.00 -5.25 -0.08 5.41 -1.26 -5.05 119.36 113.13 1u2j n ILE 433 Ca 0.00 0.00 -0.32 0.00 1.00 0.00 0.00 62.75 63.43 1u2j n ILE 433 Cb 0.00 -0.50 -0.16 0.00 -0.71 0.00 0.00 39.64 38.27 1u2j n ILE 433 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 176.55 177.41 1u2j s TRP 434 N -1.63 2.45 -0.04 1.39 -0.11 -1.26 -5.13 118.94 114.61 1u2j s TRP 434 Ca 0.00 -0.69 0.06 0.00 1.22 0.00 0.00 56.10 56.68 1u2j s TRP 434 Cb 0.00 -1.60 -0.01 0.00 -1.50 0.00 0.00 33.47 30.36 1u2j s TRP 434 CO 0.00 -0.20 -0.21 -0.65 -4.62 0.00 0.00 176.95 171.27 1u2j s GLN 435 N -0.19 2.05 -0.24 5.86 -1.52 -1.26 -5.09 119.66 119.26 1u2j s GLN 435 Ca -0.03 -0.76 -0.15 0.00 -1.95 0.00 0.00 55.36 52.47 1u2j s GLN 435 Cb -0.13 -1.82 -0.04 0.00 -0.22 0.00 0.00 33.01 30.80 1u2j s GLN 435 CO 0.03 0.36 0.37 -0.51 -0.25 0.00 0.00 175.29 175.29 1u2j s ASP 436 N -0.19 6.31 0.22 5.90 1.01 -1.26 -5.07 116.67 123.59 1u2j s ASP 436 Ca -0.00 0.36 -0.25 0.00 0.71 0.00 0.00 52.55 53.36 1u2j s ASP 436 Cb -0.11 -2.21 -0.09 0.00 1.01 0.00 0.00 42.92 41.52 1u2j s ASP 436 CO 0.02 -0.13 0.83 -2.16 0.21 0.00 0.00 175.17 173.94 1u2j s PRO 437 N 1.75 4.56 -0.04 8.23 0.04 -1.26 -5.07 135.00 143.21 1u2j s PRO 437 Ca 0.16 1.20 0.05 0.00 0.04 0.00 0.00 61.00 62.44 1u2j s PRO 437 Cb -0.15 -3.09 -0.02 0.00 0.04 0.00 0.00 34.50 31.27 1u2j s PRO 437 CO 0.09 0.47 -0.18 -0.51 0.04 0.00 0.00 177.00 176.90 1u2j s LEU 438 N -1.51 2.52 0.92 -3.56 2.01 -1.26 -4.92 118.68 112.88 1u2j s LEU 438 Ca 0.41 -0.29 -0.14 0.00 0.01 0.00 0.00 54.13 54.13 1u2j s LEU 438 Cb -0.21 -1.49 0.15 0.00 0.01 0.00 0.00 46.19 44.65 1u2j s LEU 438 CO 0.26 0.33 1.18 -2.16 1.01 0.00 0.00 176.35 176.97 1u2j s PRO 439 N -0.64 1.01 0.53 1.29 0.04 -1.26 -5.01 135.00 130.95 1u2j s PRO 439 Ca 0.10 0.07 -0.11 0.00 0.04 0.00 0.00 61.00 61.10 1u2j s PRO 439 Cb -0.11 -1.84 -0.05 0.00 0.04 0.00 0.00 34.50 32.54 1u2j s PRO 439 CO 0.00 -2.24 0.92 -0.65 0.04 0.00 0.00 177.00 175.07 1u2j s GLN 440 N -5.49 3.68 0.10 4.56 -1.52 -1.26 -4.93 119.66 114.80 1u2j s GLN 440 Ca 0.66 0.60 -0.32 0.00 -1.95 0.00 0.00 55.36 54.35 1u2j s GLN 440 Cb -0.11 -2.22 -0.11 0.00 -0.22 0.00 0.00 33.01 30.35 1u2j s GLN 440 CO 0.52 -0.33 1.80 -0.35 -0.25 0.00 0.00 175.29 176.69 1u2j n PRO 441 N -2.16 2.62 -0.00 2.91 -0.04 -1.26 -4.84 135.00 132.23 1u2j n PRO 441 Ca 0.04 0.95 0.00 0.00 -0.04 0.00 0.00 63.50 64.46 1u2j n PRO 441 Cb 0.54 -2.82 0.00 0.00 -0.04 0.00 0.00 33.50 31.18 1u2j n PRO 441 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1u2j n ILE 442 N 4.56 0.16 -4.17 0.52 -5.35 -1.26 -5.00 119.36 108.81 1u2j n ILE 442 Ca 0.18 -0.58 -0.27 0.00 -0.27 0.00 0.00 62.75 61.82 1u2j n ILE 442 Cb 0.35 0.94 -0.07 0.00 -1.74 0.00 0.00 39.64 39.11 1u2j n ILE 442 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 1u2j s TYR 443 N -0.21 2.92 -0.38 4.28 1.51 -1.26 -5.09 117.35 119.12 1u2j s TYR 443 Ca 0.01 -0.10 0.02 0.00 -1.01 0.00 0.00 57.07 55.99 1u2j s TYR 443 Cb 0.01 -1.42 0.15 0.00 -0.11 0.00 0.00 41.96 40.59 1u2j s TYR 443 CO 0.01 0.51 0.31 1.21 -1.11 0.00 0.00 175.55 176.48 1u2j s ASN 444 N -2.88 1.91 0.07 2.29 3.04 -1.26 -4.98 114.94 113.13 1u2j s ASN 444 Ca 0.28 -2.15 -0.31 0.00 0.04 0.00 0.00 52.86 50.72 1u2j s ASN 444 Cb -0.10 -0.00 -0.08 0.00 -1.54 0.00 0.00 41.25 39.53 1u2j s ASN 444 CO 0.19 -0.26 1.58 -2.16 -3.04 0.00 0.00 177.10 173.42 1u2j s PRO 445 N 0.98 4.22 0.99 0.43 0.04 -1.24 -5.03 135.00 135.40 1u2j s PRO 445 Ca 0.21 2.25 -0.12 0.00 0.04 0.00 0.00 61.00 63.38 1u2j s PRO 445 Cb -0.15 -3.53 0.19 0.00 0.04 0.00 0.00 34.50 31.05 1u2j s PRO 445 CO -0.04 -0.67 1.08 0.95 0.04 0.00 0.00 177.00 178.36 1u2j s THR 446 N 2.35 2.27 0.26 1.26 -4.23 -1.26 -4.87 115.64 111.42 1u2j s THR 446 Ca 0.71 0.09 -0.02 0.00 -1.18 0.00 0.00 61.69 61.29 1u2j s THR 446 Cb -0.38 -2.46 0.24 0.00 1.34 0.00 0.00 72.50 71.23 1u2j s THR 446 CO 0.31 -0.11 1.73 -0.33 -0.54 0.00 0.00 174.62 175.67 1u2j h GLU 447 N -1.93 0.46 -0.36 3.99 5.08 -2.00 -1.48 114.58 118.34 1u2j h GLU 447 Ca -0.54 -0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 57.67 1u2j h GLU 447 Cb 1.31 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 1u2j h GLU 447 CO 0.54 0.30 -0.25 0.37 -1.00 0.00 0.00 179.01 178.97 1u2j h GLN 448 N 0.47 0.81 -0.96 2.33 5.75 -1.99 -1.41 115.11 120.11 1u2j h GLN 448 Ca 0.45 -0.39 0.16 0.00 -0.15 0.00 0.00 58.65 58.73 1u2j h GLN 448 Cb 0.72 -0.01 -0.09 0.00 1.07 0.00 0.00 27.48 29.18 1u2j h GLN 448 CO -0.42 1.02 0.61 -0.44 -2.65 0.00 0.00 178.83 176.94 1u2j h ASP 449 N 0.60 0.74 -0.13 -0.69 3.45 -1.66 0.16 116.42 118.90 1u2j h ASP 449 Ca 0.07 0.06 -0.11 0.00 0.43 0.00 0.00 57.03 57.48 1u2j h ASP 449 Cb 0.82 -0.08 0.00 0.00 -0.56 0.00 0.00 39.33 39.51 1u2j h ASP 449 CO 0.07 0.34 -0.36 0.40 -1.57 0.00 0.00 179.24 178.11 1u2j h ILE 450 N 0.76 1.37 -0.52 0.35 5.03 -0.82 -0.66 117.51 123.02 1u2j h ILE 450 Ca 0.51 -1.66 0.07 0.00 -0.12 0.00 0.00 64.86 63.65 1u2j h ILE 450 Cb 0.77 2.10 -0.06 0.00 -3.03 0.00 0.00 36.82 36.60 1u2j h ILE 450 CO -0.27 0.50 0.18 0.40 -0.68 0.00 0.00 178.15 178.27 1u2j h ILE 451 N 0.06 0.81 -0.79 -0.67 2.04 -0.50 0.21 117.51 118.67 1u2j h ILE 451 Ca -0.01 -0.12 -0.03 0.00 1.00 0.00 0.00 64.86 65.70 1u2j h ILE 451 Cb 0.98 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 37.45 1u2j h ILE 451 CO 0.08 0.06 0.38 0.44 0.00 0.00 0.00 178.15 179.12 1u2j h ASP 452 N 0.35 1.04 -0.42 1.72 3.32 -0.56 -1.60 116.42 120.27 1u2j h ASP 452 Ca 0.25 -0.13 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 1u2j h ASP 452 Cb 0.28 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 1u2j h ASP 452 CO -0.26 0.88 0.15 -0.07 -1.72 0.00 0.00 179.24 178.22 1u2j h LEU 453 N 1.12 0.60 -1.51 1.55 3.38 -0.49 0.14 115.31 120.10 1u2j h LEU 453 Ca 0.27 -0.18 0.18 0.00 0.09 0.00 0.00 57.88 58.24 1u2j h LEU 453 Cb 0.11 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.65 1u2j h LEU 453 CO -0.03 0.62 0.57 0.11 0.09 0.00 0.00 178.44 179.80 1u2j h LYS 454 N 0.54 0.42 0.20 1.13 1.57 -0.09 0.42 116.57 120.77 1u2j h LYS 454 Ca 0.14 -0.03 -0.32 0.00 -1.87 0.00 0.00 60.65 58.57 1u2j h LYS 454 Cb 0.22 -0.09 0.02 0.00 0.08 0.00 0.00 32.23 32.46 1u2j h LYS 454 CO -0.01 0.28 -1.53 0.35 -0.57 0.00 0.00 179.45 177.97 1u2j h PHE 455 N 0.43 0.78 -0.30 -1.35 3.57 -0.65 0.28 116.94 119.70 1u2j h PHE 455 Ca 0.44 -0.57 -0.01 0.00 3.53 0.00 0.00 57.97 61.37 1u2j h PHE 455 Cb 1.04 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.74 1u2j h PHE 455 CO -0.00 1.59 0.16 0.00 -2.23 0.00 0.00 178.31 177.83 1u2j h ALA 456 N 0.10 1.71 0.01 2.41 0.00 0.34 -0.47 119.26 123.37 1u2j h ALA 456 Ca -0.29 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 1u2j h ALA 456 Cb 2.05 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.71 1u2j h ALA 456 CO 0.20 0.24 -0.14 0.82 0.00 0.00 0.00 179.25 180.37 1u2j h ILE 457 N 0.42 1.64 0.00 0.00 2.04 -0.18 -2.65 117.51 118.78 1u2j h ILE 457 Ca 0.11 -2.07 0.00 0.00 1.00 0.00 0.00 64.86 63.90 1u2j h ILE 457 Cb 0.02 3.01 0.00 0.00 -0.74 0.00 0.00 36.82 39.12 1u2j h ILE 457 CO -0.02 0.55 0.09 0.00 0.00 0.00 0.00 178.15 178.78 1u2j h ALA 458 N 0.16 1.08 -0.05 1.87 0.00 -0.14 -1.96 119.26 120.21 1u2j h ALA 458 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1u2j h ALA 458 Cb 0.98 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1u2j h ALA 458 CO 0.03 -0.08 0.00 -3.47 0.00 0.00 0.00 179.25 175.73 1u2j n ASP 459 N -2.52 2.03 0.10 0.00 4.64 -0.21 -4.70 116.55 115.90 1u2j n ASP 459 Ca -0.02 -1.52 0.12 0.00 -1.38 0.00 0.00 54.79 51.99 1u2j n ASP 459 Cb 0.14 -0.03 0.45 0.00 -1.04 0.00 0.00 41.12 40.64 1u2j n ASP 459 CO 0.00 0.00 0.00 -1.54 -0.82 0.00 0.00 177.20 174.84 1u2j n SER 460 N 0.60 0.63 0.00 1.67 3.41 -0.74 -4.90 113.62 114.29 1u2j n SER 460 Ca 0.07 0.61 0.00 0.00 -0.26 0.00 0.00 58.87 59.29 1u2j n SER 460 Cb 0.29 -0.76 0.00 0.00 -0.26 0.00 0.00 64.21 63.48 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 0.59 2.58 3.72 5.00 0.00 -1.26 -5.04 105.19 110.78 1u2j n GLY 461 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1u2j n GLY 461 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1u2j n LEU 462 N 0.00 4.04 -4.79 0.99 4.77 -1.26 -5.00 117.00 115.75 1u2j n LEU 462 Ca 0.00 1.08 -0.34 0.00 -0.03 0.00 0.00 56.01 56.72 1u2j n LEU 462 Cb 0.00 -1.57 -0.02 0.00 -2.33 0.00 0.00 43.42 39.50 1u2j n LEU 462 CO 0.00 0.16 0.73 -0.94 -1.33 0.00 0.00 177.39 176.00 1u2j s SER 463 N 1.02 6.12 0.25 -1.43 1.04 -1.26 -4.85 113.70 114.59 1u2j s SER 463 Ca 0.73 1.95 -0.12 0.00 0.48 0.00 0.00 55.95 58.99 1u2j s SER 463 Cb -0.51 -2.56 0.35 0.00 0.10 0.00 0.00 66.02 63.40 1u2j s SER 463 CO 0.36 -0.93 1.57 0.58 0.98 0.00 0.00 173.24 175.80 1u2j h VAL 464 N 1.27 0.08 -0.77 5.02 2.07 -1.92 0.11 116.25 122.11 1u2j h VAL 464 Ca -0.49 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.21 1u2j h VAL 464 Cb 1.23 0.08 -0.12 0.00 -1.52 0.00 0.00 31.29 30.95 1u2j h VAL 464 CO 0.58 0.00 0.15 0.28 0.02 0.00 0.00 177.57 178.61 1u2j h SER 465 N -0.01 -0.07 -0.03 0.57 0.02 -1.84 -0.42 113.55 111.76 1u2j h SER 465 Ca 0.40 0.17 -0.23 0.00 -0.84 0.00 0.00 61.79 61.29 1u2j h SER 465 Cb 0.64 0.24 0.01 0.00 0.14 0.00 0.00 62.40 63.44 1u2j h SER 465 CO -0.93 -0.09 -0.87 -0.33 -1.14 0.00 0.00 176.83 173.47 1u2j h GLU 466 N 0.22 0.71 -0.95 3.45 5.08 -1.15 -0.88 114.58 121.06 1u2j h GLU 466 Ca 0.44 -0.64 0.08 0.00 -1.00 0.00 0.00 59.36 58.25 1u2j h GLU 466 Cb 0.80 0.15 -0.07 0.00 0.50 0.00 0.00 28.75 30.13 1u2j h GLU 466 CO -0.58 1.24 0.60 -0.07 -1.00 0.00 0.00 179.01 179.20 1u2j h LEU 467 N 0.46 0.92 0.16 1.33 3.38 -0.19 -2.22 115.31 119.14 1u2j h LEU 467 Ca -0.08 0.03 -0.30 0.00 0.09 0.00 0.00 57.88 57.62 1u2j h LEU 467 Cb 1.50 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 42.10 1u2j h LEU 467 CO 0.17 0.55 -1.40 0.58 0.09 0.00 0.00 178.44 178.43 1u2j h VAL 468 N 1.03 1.32 -0.22 1.22 2.07 -1.02 -3.10 116.25 117.55 1u2j h VAL 468 Ca 0.44 -2.88 0.03 0.00 0.82 0.00 0.00 66.70 65.10 1u2j h VAL 468 Cb 0.29 2.90 -0.03 0.00 -1.52 0.00 0.00 31.29 32.93 1u2j h VAL 468 CO -0.21 0.85 0.03 0.28 0.02 0.00 0.00 177.57 178.54 1u2j h SER 469 N 0.09 -0.03 0.13 0.57 0.02 -0.94 -1.03 113.55 112.37 1u2j h SER 469 Ca -0.20 0.04 -0.11 0.00 -0.84 0.00 0.00 61.79 60.68 1u2j h SER 469 Cb 2.03 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 64.62 1u2j h SER 469 CO 0.21 0.02 -0.37 1.62 -1.14 0.00 0.00 176.83 177.17 1u2j h VAL 470 N 0.11 1.29 -0.06 2.27 3.04 -1.47 -0.37 116.25 121.06 1u2j h VAL 470 Ca 0.10 -1.44 -0.17 0.00 -1.01 0.00 0.00 66.70 64.18 1u2j h VAL 470 Cb 0.11 1.58 0.01 0.00 -2.01 0.00 0.00 31.29 30.99 1u2j h VAL 470 CO -0.15 0.44 -0.63 0.00 -1.01 0.00 0.00 177.57 176.22 1u2j h ALA 471 N 1.34 0.16 -0.55 3.17 0.00 -1.44 -2.67 119.26 119.26 1u2j h ALA 471 Ca 0.03 -0.56 -0.05 0.00 0.00 0.00 0.00 54.91 54.33 1u2j h ALA 471 Cb 0.78 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1u2j h ALA 471 CO 0.06 0.43 0.14 2.35 0.00 0.00 0.00 179.25 182.24 1u2j h TRP 472 N 0.11 0.92 -0.77 0.00 2.91 -1.11 -0.63 115.95 117.38 1u2j h TRP 472 Ca -0.06 -0.11 0.01 0.00 1.13 0.00 0.00 58.89 59.86 1u2j h TRP 472 Cb 1.29 -0.26 -0.04 0.00 -0.51 0.00 0.00 29.16 29.64 1u2j h TRP 472 CO 0.12 0.79 0.51 0.00 -1.03 0.00 0.00 178.44 178.83 1u2j h ALA 473 N 1.02 1.44 0.00 2.65 0.00 -1.04 0.40 119.26 123.74 1u2j h ALA 473 Ca 0.18 -0.06 -0.27 0.00 0.00 0.00 0.00 54.91 54.76 1u2j h ALA 473 Cb 0.33 -0.31 0.02 0.00 0.00 0.00 0.00 17.79 17.83 1u2j h ALA 473 CO -0.00 0.51 -1.05 1.03 0.00 0.00 0.00 179.25 179.74 1u2j h SER 474 N 1.04 0.91 0.73 0.00 0.87 -1.09 -3.34 113.55 112.67 1u2j h SER 474 Ca 0.28 -0.73 -0.25 0.00 -1.23 0.00 0.00 61.79 59.86 1u2j h SER 474 Cb -0.11 -0.28 -0.04 0.00 -0.44 0.00 0.00 62.40 61.53 1u2j h SER 474 CO -0.06 1.53 -1.36 0.00 -0.53 0.00 0.00 176.83 176.41 1u2j h ALA 475 N 0.41 0.54 0.00 6.23 0.00 -0.62 -3.12 119.26 122.71 1u2j h ALA 475 Ca -0.13 -1.18 0.00 0.00 0.00 0.00 0.00 54.91 53.60 1u2j h ALA 475 Cb 1.71 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.67 1u2j h ALA 475 CO 0.21 1.40 0.00 -1.13 0.00 0.00 0.00 179.25 179.73 1u2j n SER 476 N -3.22 0.00 0.00 0.00 3.41 0.14 -3.06 113.62 110.89 1u2j n SER 476 Ca -0.09 0.11 0.08 0.00 -0.26 0.00 0.00 58.87 58.71 1u2j n SER 476 Cb 1.00 -0.33 0.40 0.00 -0.26 0.00 0.00 64.21 65.02 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 -1.33 0.65 -2.17 6.66 -2.24 -1.26 -4.89 114.28 109.71 1u2j n THR 477 Ca 0.08 0.16 -0.34 0.00 -2.27 0.00 0.00 64.05 61.68 1u2j n THR 477 Cb 0.17 -0.88 0.01 0.00 -2.10 0.00 0.00 70.33 67.52 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 -2.75 2.77 -0.04 4.78 5.36 -1.17 -4.33 117.98 122.60 1u2j s PHE 478 Ca 0.13 1.55 -0.01 0.00 -0.96 0.00 0.00 56.93 57.64 1u2j s PHE 478 Cb 0.11 -3.18 0.03 0.00 -0.34 0.00 0.00 43.02 39.64 1u2j s PHE 478 CO 0.28 -1.39 0.03 1.03 -1.46 0.00 0.00 175.22 173.70 1u2j s ARG 479 N -3.58 0.15 0.64 10.12 0.52 -0.64 -4.40 118.95 121.76 1u2j s ARG 479 Ca 0.69 0.21 -0.14 0.00 -0.52 0.00 0.00 55.73 55.97 1u2j s ARG 479 Cb -0.20 -0.52 -0.01 0.00 0.52 0.00 0.00 34.95 34.73 1u2j s ARG 479 CO 0.30 -0.24 1.06 0.20 0.02 0.00 0.00 175.30 176.65 1u2j s GLY 480 N 1.60 1.96 0.00 -3.53 0.00 -0.14 0.84 107.32 108.05 1u2j s GLY 480 Ca -0.02 0.31 0.00 0.00 0.00 0.00 0.00 44.72 45.01 1u2j s GLY 480 CO -0.03 0.63 0.00 0.61 0.00 0.00 0.00 173.10 174.31 1u2j n GLY 481 N -1.25 1.38 0.36 0.20 0.00 -1.26 -4.28 105.19 100.34 1u2j n GLY 481 Ca 0.09 -0.02 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 1u2j n GLY 481 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1u2j h ASP 482 N 0.00 -0.96 0.00 1.61 -0.00 -2.00 -3.47 116.42 111.61 1u2j h ASP 482 Ca 0.00 0.10 0.00 0.00 -0.00 0.00 0.00 57.03 57.13 1u2j h ASP 482 Cb 0.00 0.34 0.00 0.00 -0.00 0.00 0.00 39.33 39.67 1u2j h ASP 482 CO 0.00 -0.46 0.00 0.29 -0.00 0.00 0.00 179.24 179.07 1u2j n LYS 483 N -5.44 -0.93 -1.77 0.28 4.01 0.25 -4.76 118.16 109.80 1u2j n LYS 483 Ca -0.08 0.23 -0.30 0.00 -0.51 0.00 0.00 58.31 57.64 1u2j n LYS 483 Cb 0.35 -3.93 0.04 0.00 -0.51 0.00 0.00 35.03 30.98 1u2j n LYS 483 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 1u2j s ARG 484 N -0.93 2.96 0.10 1.97 0.52 -1.23 -4.85 118.95 117.48 1u2j s ARG 484 Ca 0.00 0.66 0.00 0.00 -0.52 0.00 0.00 55.73 55.87 1u2j s ARG 484 Cb 0.00 -2.02 0.00 0.00 0.52 0.00 0.00 34.95 33.45 1u2j s ARG 484 CO 0.00 -1.01 0.00 0.41 0.02 0.00 0.00 175.30 174.72 1u2j n GLY 485 N -2.60 -2.65 0.00 -3.53 0.00 -1.26 -1.62 105.19 93.52 1u2j n GLY 485 Ca 0.07 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.43 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 -0.68 1.45 0.05 -0.02 0.00 -1.26 -4.59 105.19 100.14 1u2j n GLY 486 Ca 0.00 -2.14 0.12 0.00 0.00 0.00 0.00 46.02 44.00 1u2j n GLY 486 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u2j n ALA 487 N 0.22 3.08 -1.82 4.61 0.00 -1.18 -4.68 120.51 120.75 1u2j n ALA 487 Ca 0.00 -0.28 -0.42 0.00 0.00 0.00 0.00 53.44 52.74 1u2j n ALA 487 Cb 0.00 -1.15 -0.03 0.00 0.00 0.00 0.00 19.45 18.27 1u2j n ALA 487 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1u2j s ASN 488 N -3.90 6.47 0.00 0.00 3.84 -1.26 -2.36 114.94 117.73 1u2j s ASN 488 Ca 0.07 2.79 0.00 0.00 0.21 0.00 0.00 52.86 55.93 1u2j s ASN 488 Cb 0.14 -2.61 0.00 0.00 -0.55 0.00 0.00 41.25 38.24 1u2j s ASN 488 CO 0.72 -0.89 0.00 0.61 -2.79 0.00 0.00 177.10 174.75 1u2j n GLY 489 N 3.32 1.65 4.35 1.21 0.00 -0.11 -4.45 105.19 111.15 1u2j n GLY 489 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.05 -1.18 0.27 4.61 0.00 -0.99 -1.09 120.51 121.07 1u2j n ALA 490 Ca 0.00 -0.19 0.14 0.00 0.00 0.00 0.00 53.44 53.39 1u2j n ALA 490 Cb 0.00 -2.32 0.67 0.00 0.00 0.00 0.00 19.45 17.79 1u2j n ALA 490 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u2j h ARG 491 N -0.79 0.00 0.00 0.00 3.08 -1.82 -0.25 114.38 114.60 1u2j h ARG 491 Ca -0.54 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.51 1u2j h ARG 491 Cb 1.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.40 1u2j h ARG 491 CO 0.81 0.00 0.07 1.25 -1.07 0.00 0.00 179.97 181.03 1u2j h LEU 492 N 0.00 0.00 0.00 3.04 5.85 -1.89 -2.01 115.31 120.30 1u2j h LEU 492 Ca 0.00 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1u2j h LEU 492 Cb 0.17 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.19 1u2j h LEU 492 CO 0.00 0.00 -0.79 0.00 -0.34 0.00 0.00 178.44 177.31 1u2j h ALA 493 N 1.86 0.65 -1.72 1.25 0.00 -1.38 -3.07 119.26 116.84 1u2j h ALA 493 Ca 0.00 -0.12 -0.43 0.00 0.00 0.00 0.00 54.91 54.35 1u2j h ALA 493 Cb 0.14 0.03 0.04 0.00 0.00 0.00 0.00 17.79 17.99 1u2j h ALA 493 CO 0.00 0.14 -0.10 -0.51 0.00 0.00 0.00 179.25 178.78 1u2j s LEU 494 N -5.67 3.39 0.30 0.00 1.43 -0.76 -4.70 118.68 112.66 1u2j s LEU 494 Ca 0.01 -0.14 -0.21 0.00 -1.03 0.00 0.00 54.13 52.76 1u2j s LEU 494 Cb 0.08 -2.80 -0.09 0.00 0.03 0.00 0.00 46.19 43.41 1u2j s LEU 494 CO 0.76 -1.03 0.83 -0.04 0.23 0.00 0.00 176.35 177.10 1u2j s MET 495 N -4.64 4.33 0.10 1.70 -1.94 -1.26 0.27 119.30 117.86 1u2j s MET 495 Ca 0.57 1.04 0.25 0.00 -1.71 0.00 0.00 55.69 55.83 1u2j s MET 495 Cb -0.10 -2.69 0.42 0.00 2.01 0.00 0.00 34.83 34.47 1u2j s MET 495 CO 0.37 0.26 1.37 -0.35 -0.01 0.00 0.00 175.02 176.66 1u2j n PRO 496 N 0.32 0.24 -0.23 2.03 -0.04 -1.26 -4.81 135.00 131.25 1u2j n PRO 496 Ca 0.01 0.08 0.02 0.00 -0.04 0.00 0.00 63.50 63.57 1u2j n PRO 496 Cb 0.51 -1.66 0.13 0.00 -0.04 0.00 0.00 33.50 32.45 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 0.44 -0.38 0.54 4.20 -1.70 -1.34 115.11 116.87 1u2j h GLN 497 Ca 0.00 -0.03 0.11 0.00 0.06 0.00 0.00 58.65 58.79 1u2j h GLN 497 Cb 0.70 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.37 1u2j h GLN 497 CO 0.00 0.29 0.39 -0.09 -0.67 0.00 0.00 178.83 178.75 1u2j h ARG 498 N 0.45 0.00 -0.02 1.46 2.43 -0.09 -0.57 114.38 118.05 1u2j h ARG 498 Ca 0.34 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.51 1u2j h ARG 498 Cb 0.44 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1u2j h ARG 498 CO -0.33 0.00 -0.12 -0.25 -1.51 0.00 0.00 179.97 177.76 1u2j n ASP 499 N -3.81 2.48 -4.75 -3.80 8.00 -0.51 -4.79 116.55 109.37 1u2j n ASP 499 Ca 0.07 -1.74 -0.41 0.00 0.71 0.00 0.00 54.79 53.41 1u2j n ASP 499 Cb 0.56 0.14 -0.02 0.00 -0.02 0.00 0.00 41.12 41.79 1u2j n ASP 499 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1u2j s TRP 500 N -1.89 2.91 0.27 1.24 0.51 -0.22 -4.91 118.94 116.84 1u2j s TRP 500 Ca 0.22 1.03 -0.06 0.00 -2.12 0.00 0.00 56.10 55.18 1u2j s TRP 500 Cb 0.17 -3.88 0.49 0.00 -0.81 0.00 0.00 33.47 29.44 1u2j s TRP 500 CO 0.33 -2.82 1.46 -0.25 -0.51 0.00 0.00 176.95 175.17 1u2j n ASP 501 N 1.91 -0.29 0.00 2.95 10.43 -1.26 -0.56 116.55 129.73 1u2j n ASP 501 Ca 0.06 1.60 0.11 0.00 2.57 0.00 0.00 54.79 59.13 1u2j n ASP 501 Cb 0.40 -0.51 0.57 0.00 1.84 0.00 0.00 41.12 43.42 1u2j n ASP 501 CO 0.00 0.00 0.00 1.33 -1.07 0.00 0.00 177.20 177.46 1u2j n VAL 502 N -5.49 0.27 0.37 2.53 0.24 -1.26 -3.37 118.33 111.61 1u2j n VAL 502 Ca 0.16 0.07 0.06 0.00 -2.04 0.00 0.00 64.34 62.59 1u2j n VAL 502 Cb 0.52 -0.71 0.06 0.00 -1.47 0.00 0.00 33.84 32.25 1u2j n VAL 502 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1u2j n ASN 503 N -1.24 2.10 0.24 -1.34 3.02 0.28 -4.70 115.26 113.61 1u2j n ASN 503 Ca 0.11 -1.55 0.16 0.00 -0.03 0.00 0.00 54.58 53.27 1u2j n ASN 503 Cb 0.16 -0.04 0.64 0.00 -0.61 0.00 0.00 39.78 39.93 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 2.18 1.00 -0.82 5.41 0.00 -1.54 -1.49 119.26 123.99 1u2j h ALA 504 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 1u2j h ALA 504 Cb 0.51 0.00 -0.31 0.00 0.00 0.00 0.00 17.79 17.99 1u2j h ALA 504 CO 0.00 0.00 0.19 0.00 0.00 0.00 0.00 179.25 179.44 1u2j n ALA 505 N -2.00 5.57 0.00 0.00 0.00 -1.26 -4.14 120.51 118.68 1u2j n ALA 505 Ca 0.01 -3.48 0.00 0.00 0.00 0.00 0.00 53.44 49.97 1u2j n ALA 505 Cb 0.28 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1u2j n ALA 505 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u2j n ALA 506 N -0.91 0.73 0.76 0.00 0.00 -0.80 -4.80 120.51 115.49 1u2j n ALA 506 Ca 0.52 0.00 0.11 0.00 0.00 0.00 0.00 53.44 54.08 1u2j n ALA 506 Cb 0.91 0.00 0.49 0.00 0.00 0.00 0.00 19.45 20.84 1u2j n ALA 506 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1u2j n VAL 507 N -0.41 0.44 1.43 0.00 3.14 -0.63 -1.83 118.33 120.47 1u2j n VAL 507 Ca 0.00 0.07 0.14 0.00 -2.96 0.00 0.00 64.34 61.59 1u2j n VAL 507 Cb 0.00 -0.72 0.75 0.00 -1.06 0.00 0.00 33.84 32.81 1u2j n VAL 507 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1u2j n ARG 508 N -1.63 0.47 -0.02 1.45 1.74 -1.26 -2.82 116.66 114.58 1u2j n ARG 508 Ca 0.05 0.01 0.07 0.00 -0.77 0.00 0.00 57.85 57.22 1u2j n ARG 508 Cb 0.29 -1.50 -0.16 0.00 -1.02 0.00 0.00 32.46 30.07 1u2j n ARG 508 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1u2j n ALA 509 N -1.26 2.58 -0.12 7.54 0.00 -0.76 -4.51 120.51 123.98 1u2j n ALA 509 Ca 0.15 -0.60 -0.05 0.00 0.00 0.00 0.00 53.44 52.94 1u2j n ALA 509 Cb 0.22 -0.62 0.02 0.00 0.00 0.00 0.00 19.45 19.06 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 0.00 -0.30 -0.42 0.00 3.38 -1.56 -1.11 115.31 115.31 1u2j h LEU 510 Ca -0.07 0.11 0.07 0.00 0.09 0.00 0.00 57.88 58.08 1u2j h LEU 510 Cb 1.12 0.22 -0.06 0.00 0.09 0.00 0.00 40.66 42.02 1u2j h LEU 510 CO 0.00 -0.11 0.04 -0.65 0.09 0.00 0.00 178.44 177.82 1u2j h PRO 511 N 0.03 0.15 -0.00 1.13 0.11 -1.79 1.76 132.00 133.39 1u2j h PRO 511 Ca 0.19 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.32 1u2j h PRO 511 Cb 0.29 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 31.32 1u2j h PRO 511 CO -0.38 0.10 -0.26 0.28 -0.21 0.00 0.00 178.00 177.53 1u2j h VAL 512 N 0.16 0.42 -0.03 3.15 2.07 -1.64 0.57 116.25 120.94 1u2j h VAL 512 Ca 0.20 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.67 1u2j h VAL 512 Cb 0.27 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1u2j h VAL 512 CO -0.30 0.00 -0.22 -0.07 0.02 0.00 0.00 177.57 177.00 1u2j h LEU 513 N -0.39 0.04 -0.32 2.57 3.38 -0.51 -2.44 115.31 117.63 1u2j h LEU 513 Ca 0.06 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.87 1u2j h LEU 513 Cb 0.48 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 1u2j h LEU 513 CO -0.23 0.26 -0.40 -0.33 0.09 0.00 0.00 178.44 177.84 1u2j h GLU 514 N 0.04 0.84 0.03 1.13 5.08 0.32 -1.50 114.58 120.53 1u2j h GLU 514 Ca 0.01 -0.47 -0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1u2j h GLU 514 Cb 0.41 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1u2j h GLU 514 CO 0.03 1.11 -0.01 -0.22 -1.00 0.00 0.00 179.01 178.91 1u2j h LYS 515 N 0.62 -0.04 -0.26 2.33 3.64 -0.76 -2.03 116.57 120.07 1u2j h LYS 515 Ca 0.04 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.48 1u2j h LYS 515 Cb 0.99 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.76 1u2j h LYS 515 CO 0.09 -0.01 -0.10 0.82 -2.27 0.00 0.00 179.45 177.98 1u2j h ILE 516 N -0.05 0.66 -0.85 2.00 2.04 -1.45 -1.35 117.51 118.51 1u2j h ILE 516 Ca -0.00 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.93 1u2j h ILE 516 Cb 0.04 0.66 -0.06 0.00 -0.74 0.00 0.00 36.82 36.73 1u2j h ILE 516 CO 0.01 0.00 0.55 -0.61 0.00 0.00 0.00 178.15 178.10 1u2j h GLN 517 N -0.05 0.88 -0.07 2.37 -0.00 -1.07 -0.84 115.11 116.33 1u2j h GLN 517 Ca 0.13 -0.05 -0.17 0.00 -0.00 0.00 0.00 58.65 58.56 1u2j h GLN 517 Cb 0.25 -0.20 -0.01 0.00 0.00 0.00 0.00 27.48 27.53 1u2j h GLN 517 CO -0.30 0.58 -0.70 -0.22 0.00 0.00 0.00 178.83 178.19 1u2j h LYS 518 N 0.91 0.33 0.00 1.69 3.11 -0.73 -1.48 116.57 120.39 1u2j h LYS 518 Ca 0.37 -0.26 -0.01 0.00 -2.81 0.00 0.00 60.65 57.94 1u2j h LYS 518 Cb 0.28 0.05 -0.00 0.00 -1.00 0.00 0.00 32.23 31.56 1u2j h LYS 518 CO -0.14 0.90 -0.56 0.93 -2.81 0.00 0.00 179.45 177.77 1u2j h GLU 519 N 0.23 0.00 0.00 1.90 5.08 -0.55 -3.32 114.58 117.92 1u2j h GLU 519 Ca -0.02 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.07 1u2j h GLU 519 Cb 1.26 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.47 1u2j h GLU 519 CO 0.12 0.04 -1.48 0.45 -1.00 0.00 0.00 179.01 177.13 1u2j n SER 520 N -2.90 1.88 -2.19 1.42 2.88 -0.39 -4.96 113.62 109.36 1u2j n SER 520 Ca 0.01 0.41 -0.13 0.00 -1.33 0.00 0.00 58.87 57.84 1u2j n SER 520 Cb 0.56 -0.93 -0.02 0.00 -0.75 0.00 0.00 64.21 63.07 1u2j n SER 520 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1u2j n GLY 521 N 1.40 -0.09 0.03 0.46 0.00 -0.56 -4.80 105.19 101.63 1u2j n GLY 521 Ca -0.36 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.60 1.03 -4.20 1.61 5.02 -1.26 -5.04 118.16 112.71 1u2j n LYS 522 Ca -0.15 -0.08 -0.12 0.00 -2.02 0.00 0.00 58.31 55.95 1u2j n LYS 522 Cb 0.57 -1.34 -0.10 0.00 -0.02 0.00 0.00 35.03 34.14 1u2j n LYS 522 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1u2j s ALA 523 N -2.71 1.12 0.56 7.82 0.00 -1.26 -3.63 121.76 123.66 1u2j s ALA 523 Ca -0.06 -1.56 -0.08 0.00 0.00 0.00 0.00 51.96 50.25 1u2j s ALA 523 Cb 0.07 0.82 -0.04 0.00 0.00 0.00 0.00 23.12 23.98 1u2j s ALA 523 CO 0.58 -0.44 0.92 -1.54 0.00 0.00 0.00 175.76 175.28 1u2j s SER 524 N -3.12 6.21 0.31 0.00 1.04 -1.26 -4.91 113.70 111.96 1u2j s SER 524 Ca 0.26 1.18 0.01 0.00 0.48 0.00 0.00 55.95 57.89 1u2j s SER 524 Cb 0.07 -2.34 0.56 0.00 0.10 0.00 0.00 66.02 64.41 1u2j s SER 524 CO 0.04 -0.76 1.92 0.25 0.98 0.00 0.00 173.24 175.67 1u2j h LEU 525 N -0.09 0.87 0.10 2.42 5.85 -1.93 0.23 115.31 122.75 1u2j h LEU 525 Ca -0.45 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.27 1u2j h LEU 525 Cb 1.20 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.05 1u2j h LEU 525 CO 0.62 0.56 -0.05 0.00 -0.34 0.00 0.00 178.44 179.23 1u2j h ALA 526 N 1.52 -0.13 -0.36 1.25 0.00 -1.88 0.85 119.26 120.52 1u2j h ALA 526 Ca 0.38 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.22 1u2j h ALA 526 Cb 0.20 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1u2j h ALA 526 CO -0.14 -0.51 0.20 -0.44 0.00 0.00 0.00 179.25 178.36 1u2j h ASP 527 N -0.26 0.31 0.07 0.00 3.32 -1.78 -2.58 116.42 115.50 1u2j h ASP 527 Ca -0.01 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1u2j h ASP 527 Cb 0.21 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.71 1u2j h ASP 527 CO 0.02 0.22 -0.05 0.40 -1.72 0.00 0.00 179.24 178.11 1u2j h ILE 528 N 0.40 0.89 -0.10 0.35 2.04 -0.54 0.22 117.51 120.77 1u2j h ILE 528 Ca 0.15 -0.18 -0.19 0.00 1.00 0.00 0.00 64.86 65.63 1u2j h ILE 528 Cb 0.03 1.10 -0.00 0.00 -0.74 0.00 0.00 36.82 37.21 1u2j h ILE 528 CO -0.08 0.05 -0.72 0.40 0.00 0.00 0.00 178.15 177.79 1u2j h ILE 529 N 0.00 1.35 0.11 -0.67 2.04 -0.45 -0.75 117.51 119.14 1u2j h ILE 529 Ca -0.00 -2.08 -0.28 0.00 1.00 0.00 0.00 64.86 63.50 1u2j h ILE 529 Cb 0.10 2.06 0.02 0.00 -0.74 0.00 0.00 36.82 38.26 1u2j h ILE 529 CO 0.01 0.63 -1.21 0.58 0.00 0.00 0.00 178.15 178.16 1u2j h VAL 530 N 0.34 1.34 -0.42 1.67 2.07 -1.08 -2.97 116.25 117.20 1u2j h VAL 530 Ca -0.03 -2.58 0.04 0.00 0.82 0.00 0.00 66.70 64.95 1u2j h VAL 530 Cb 1.31 2.71 -0.02 0.00 -1.52 0.00 0.00 31.29 33.77 1u2j h VAL 530 CO 0.13 0.78 0.28 0.25 0.02 0.00 0.00 177.57 179.03 1u2j h LEU 531 N 0.23 0.34 -0.73 2.57 5.85 -0.43 -0.74 115.31 122.40 1u2j h LEU 531 Ca -0.16 -0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.43 1u2j h LEU 531 Cb 1.88 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.83 1u2j h LEU 531 CO 0.22 0.23 -0.30 0.00 -0.34 0.00 0.00 178.44 178.25 1u2j h ALA 532 N 1.77 0.91 -0.50 1.25 0.00 -0.98 -0.11 119.26 121.59 1u2j h ALA 532 Ca 0.18 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 1u2j h ALA 532 Cb 0.21 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1u2j h ALA 532 CO -0.04 0.62 0.06 0.78 0.00 0.00 0.00 179.25 180.67 1u2j h GLY 533 N 1.00 0.91 0.97 0.00 0.00 -1.17 -0.97 103.07 103.82 1u2j h GLY 533 Ca 0.07 -0.63 -0.01 0.00 0.00 0.00 0.00 47.33 46.76 1u2j h GLY 533 CO 0.06 0.58 0.25 -2.08 0.00 0.00 0.00 176.54 175.35 1u2j h VAL 534 N 0.71 1.18 -0.43 4.60 2.07 -0.44 -1.24 116.25 122.70 1u2j h VAL 534 Ca 0.15 -0.47 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 1u2j h VAL 534 Cb 0.44 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 1u2j h VAL 534 CO 0.01 0.19 0.25 0.58 0.02 0.00 0.00 177.57 178.63 1u2j h VAL 535 N 0.63 1.15 -0.18 2.57 2.07 -0.91 -0.02 116.25 121.57 1u2j h VAL 535 Ca 0.17 -0.35 0.05 0.00 0.82 0.00 0.00 66.70 67.39 1u2j h VAL 535 Cb 0.08 0.60 -0.06 0.00 -1.52 0.00 0.00 31.29 30.38 1u2j h VAL 535 CO -0.02 0.15 -0.26 1.23 0.02 0.00 0.00 177.57 178.68 1u2j h GLY 536 N 0.57 -0.27 1.69 2.17 0.00 -0.75 0.18 103.07 106.65 1u2j h GLY 536 Ca 0.15 0.33 -0.07 0.00 0.00 0.00 0.00 47.33 47.74 1u2j h GLY 536 CO -0.03 -0.21 -0.18 -2.08 0.00 0.00 0.00 176.54 174.04 1u2j h VAL 537 N -0.31 1.23 -0.38 4.60 2.07 -1.09 -0.50 116.25 121.88 1u2j h VAL 537 Ca 0.11 -1.05 -0.13 0.00 0.82 0.00 0.00 66.70 66.45 1u2j h VAL 537 Cb 0.48 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 1u2j h VAL 537 CO -0.35 0.33 -0.29 -0.33 0.02 0.00 0.00 177.57 176.95 1u2j h GLU 538 N 0.34 0.80 -0.53 1.57 5.08 -0.35 -1.70 114.58 119.79 1u2j h GLU 538 Ca 0.06 -0.36 -0.12 0.00 -1.00 0.00 0.00 59.36 57.94 1u2j h GLU 538 Cb 0.53 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 1u2j h GLU 538 CO 0.03 0.99 -0.12 0.87 -1.00 0.00 0.00 179.01 179.78 1u2j h LYS 539 N 0.68 1.02 -0.43 2.33 1.57 -0.26 0.16 116.57 121.64 1u2j h LYS 539 Ca 0.08 -0.39 -0.04 0.00 -1.87 0.00 0.00 60.65 58.43 1u2j h LYS 539 Cb 0.82 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.06 1u2j h LYS 539 CO 0.07 1.08 0.10 0.00 -0.57 0.00 0.00 179.45 180.12 1u2j h ALA 540 N 0.92 0.57 0.08 3.86 0.00 -1.12 -0.41 119.26 123.17 1u2j h ALA 540 Ca 0.14 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1u2j h ALA 540 Cb 0.69 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1u2j h ALA 540 CO 0.05 0.27 -0.06 0.00 0.00 0.00 0.00 179.25 179.50 1u2j h ALA 541 N 0.96 -0.14 -0.99 0.00 0.00 -1.05 -2.35 119.26 115.69 1u2j h ALA 541 Ca 0.13 -0.02 0.19 0.00 0.00 0.00 0.00 54.91 55.21 1u2j h ALA 541 Cb 0.33 0.08 -0.10 0.00 0.00 0.00 0.00 17.79 18.11 1u2j h ALA 541 CO 0.00 -0.58 0.61 1.03 0.00 0.00 0.00 179.25 180.31 1u2j h SER 542 N -0.15 0.72 0.27 0.00 0.87 -0.54 0.32 113.55 115.04 1u2j h SER 542 Ca -0.00 0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.62 1u2j h SER 542 Cb 0.13 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.04 1u2j h SER 542 CO -0.00 0.28 -0.08 0.00 -0.53 0.00 0.00 176.83 176.50 1u2j h ALA 543 N 1.62 1.32 -0.28 6.23 0.00 -0.86 0.45 119.26 127.75 1u2j h ALA 543 Ca 0.55 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.39 1u2j h ALA 543 Cb 0.91 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1u2j h ALA 543 CO -0.32 0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.02 1u2j n ALA 544 N -2.27 2.62 -2.86 0.00 0.00 0.11 -4.88 120.51 113.22 1u2j n ALA 544 Ca -0.02 -0.58 -0.15 0.00 0.00 0.00 0.00 53.44 52.70 1u2j n ALA 544 Cb 0.19 -1.00 0.03 0.00 0.00 0.00 0.00 19.45 18.67 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 0.77 -0.06 3.44 0.00 0.00 0.15 -5.04 105.19 104.44 1u2j n GLY 545 Ca 0.10 -0.17 -0.24 0.00 0.00 0.00 0.00 46.02 45.71 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 -4.59 2.55 -0.32 0.99 1.43 -1.08 -5.01 118.68 112.65 1u2j s LEU 546 Ca 0.24 -0.99 0.00 0.00 -1.03 0.00 0.00 54.13 52.36 1u2j s LEU 546 Cb -0.11 -1.05 0.10 0.00 0.03 0.00 0.00 46.19 45.16 1u2j s LEU 546 CO 0.30 0.03 0.08 -0.55 0.23 0.00 0.00 176.35 176.44 1u2j s SER 547 N -3.28 4.22 0.25 2.29 0.15 -1.26 -2.90 113.70 113.18 1u2j s SER 547 Ca 0.27 -1.77 0.10 0.00 0.70 0.00 0.00 55.95 55.24 1u2j s SER 547 Cb -0.05 -1.07 -0.04 0.00 -1.71 0.00 0.00 66.02 63.15 1u2j s SER 547 CO 0.13 -0.40 -0.05 0.27 1.20 0.00 0.00 173.24 174.38 1u2j s ILE 548 N 1.43 3.27 -0.24 6.45 -4.36 -1.26 -5.09 121.20 121.40 1u2j s ILE 548 Ca 0.10 -1.93 -0.14 0.00 -0.26 0.00 0.00 60.65 58.42 1u2j s ILE 548 Cb -0.18 -2.72 -0.04 0.00 1.25 0.00 0.00 42.46 40.77 1u2j s ILE 548 CO -0.21 -0.33 0.32 -2.28 0.24 0.00 0.00 174.94 172.69 1u2j s HIS 549 N -2.22 3.30 -0.32 1.37 5.65 -1.26 -4.94 115.29 116.87 1u2j s HIS 549 Ca 0.30 0.42 -0.17 0.00 0.25 0.00 0.00 55.06 55.86 1u2j s HIS 549 Cb -0.07 -2.48 -0.01 0.00 -1.18 0.00 0.00 32.58 28.84 1u2j s HIS 549 CO 0.18 -0.09 0.47 0.08 -0.65 0.00 0.00 174.74 174.74 1u2j s VAL 550 N 1.58 5.07 0.34 0.89 1.01 -1.26 -5.05 120.40 122.97 1u2j s VAL 550 Ca 0.14 0.42 -0.29 0.00 0.00 0.00 0.00 61.98 62.26 1u2j s VAL 550 Cb -0.15 -3.89 -0.11 0.00 0.00 0.00 0.00 36.38 32.23 1u2j s VAL 550 CO 0.08 -0.10 1.49 -2.65 0.00 0.00 0.00 175.10 173.93 1u2j n PRO 551 N 5.61 2.59 -4.51 2.72 -0.02 -1.26 -5.01 135.00 135.11 1u2j n PRO 551 Ca -0.06 0.91 -0.23 0.00 -2.02 0.00 0.00 63.50 62.11 1u2j n PRO 551 Cb 0.49 -2.64 -0.16 0.00 -0.02 0.00 0.00 33.50 31.18 1u2j n PRO 551 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1u2j s PHE 552 N -0.73 1.21 -0.29 6.00 5.36 -1.26 -4.95 117.98 123.33 1u2j s PHE 552 Ca 0.57 -0.36 0.03 0.00 -0.96 0.00 0.00 56.93 56.21 1u2j s PHE 552 Cb -0.50 -0.87 0.08 0.00 -0.34 0.00 0.00 43.02 41.39 1u2j s PHE 552 CO 0.58 -0.16 -0.02 0.00 -1.46 0.00 0.00 175.22 174.17 1u2j s ALA 553 N 0.32 2.47 1.01 11.12 0.00 -1.26 -5.12 121.76 130.30 1u2j s ALA 553 Ca -0.07 -1.97 -0.16 0.00 0.00 0.00 0.00 51.96 49.77 1u2j s ALA 553 Cb -0.11 -1.71 0.20 0.00 0.00 0.00 0.00 23.12 21.50 1u2j s ALA 553 CO 0.02 -1.43 1.20 -1.25 0.00 0.00 0.00 175.76 174.29 1u2j s PRO 554 N 1.13 0.34 0.00 0.00 0.04 -1.26 -4.69 135.00 130.56 1u2j s PRO 554 Ca 0.01 -0.08 0.00 0.00 0.04 0.00 0.00 61.00 60.97 1u2j s PRO 554 Cb -0.19 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1u2j s PRO 554 CO -0.08 -2.67 0.00 0.41 0.04 0.00 0.00 177.00 174.70 1u2j n GLY 555 N -2.50 1.65 3.75 0.56 0.00 -1.26 -5.13 105.19 102.26 1u2j n GLY 555 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 1u2j n GLY 555 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u2j s ARG 556 N 0.00 2.47 0.18 1.61 0.52 -1.26 -4.88 118.95 117.58 1u2j s ARG 556 Ca 0.00 1.55 0.08 0.00 -0.52 0.00 0.00 55.73 56.84 1u2j s ARG 556 Cb 0.00 -1.89 -0.04 0.00 0.52 0.00 0.00 34.95 33.53 1u2j s ARG 556 CO 0.00 -1.54 -0.16 0.14 0.02 0.00 0.00 175.30 173.76 1u2j s VAL 557 N -2.20 1.75 -0.55 3.52 -7.23 -1.26 -4.58 120.40 109.85 1u2j s VAL 557 Ca 0.70 -2.04 -0.21 0.00 -1.81 0.00 0.00 61.98 58.62 1u2j s VAL 557 Cb -0.24 -1.91 0.06 0.00 0.56 0.00 0.00 36.38 34.85 1u2j s VAL 557 CO 0.44 -0.45 0.77 -1.81 -0.31 0.00 0.00 175.10 173.73 1u2j s ASP 558 N -2.95 6.24 0.60 4.85 1.11 -1.26 -0.94 116.67 124.32 1u2j s ASP 558 Ca 0.18 -0.83 -0.19 0.00 0.18 0.00 0.00 52.55 51.89 1u2j s ASP 558 Cb -0.03 -2.35 -0.04 0.00 1.07 0.00 0.00 42.92 41.57 1u2j s ASP 558 CO 0.07 -1.09 1.14 0.00 1.18 0.00 0.00 175.17 176.46 1u2j n ALA 559 N 6.77 0.72 -2.03 5.23 0.00 -0.25 -4.81 120.51 126.13 1u2j n ALA 559 Ca -0.04 0.03 -0.32 0.00 0.00 0.00 0.00 53.44 53.11 1u2j n ALA 559 Cb 0.46 -2.22 -0.06 0.00 0.00 0.00 0.00 19.45 17.63 1u2j n ALA 559 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1u2j s ARG 560 N -2.94 4.02 0.44 0.00 0.52 -1.26 -4.92 118.95 114.82 1u2j s ARG 560 Ca 0.77 0.79 0.15 0.00 -0.52 0.00 0.00 55.73 56.92 1u2j s ARG 560 Cb -0.41 -2.32 1.07 0.00 0.52 0.00 0.00 34.95 33.81 1u2j s ARG 560 CO 0.46 0.02 1.98 0.37 0.02 0.00 0.00 175.30 178.15 1u2j h GLN 561 N 1.83 0.35 -0.22 3.54 5.75 -1.94 0.34 115.11 124.75 1u2j h GLN 561 Ca -0.48 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.00 1u2j h GLN 561 Cb 1.18 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 29.65 1u2j h GLN 561 CO 0.63 0.23 0.00 -0.40 -2.65 0.00 0.00 178.83 176.65 1u2j n ASP 562 N -4.46 0.22 -0.21 -0.69 5.75 -1.26 -1.35 116.55 114.55 1u2j n ASP 562 Ca 0.10 -1.88 0.02 0.00 -0.01 0.00 0.00 54.79 53.03 1u2j n ASP 562 Cb 0.41 -0.11 0.03 0.00 -1.03 0.00 0.00 41.12 40.42 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 -0.37 0.24 -3.51 0.11 6.02 0.12 -4.81 117.38 115.18 1u2j n GLN 563 Ca 0.00 -0.96 -0.27 0.00 -0.01 0.00 0.00 57.00 55.77 1u2j n GLN 563 Cb 0.06 -1.10 -0.09 0.00 1.02 0.00 0.00 30.24 30.12 1u2j n GLN 563 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1u2j n THR 564 N 0.22 0.76 -1.68 5.09 -1.04 -0.46 -4.26 114.28 112.91 1u2j n THR 564 Ca 0.03 -4.49 -0.49 0.00 -2.04 0.00 0.00 64.05 57.06 1u2j n THR 564 Cb 0.16 -2.00 -0.05 0.00 -1.82 0.00 0.00 70.33 66.62 1u2j n THR 564 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1u2j n ASP 565 N 1.70 3.39 -0.07 8.00 4.64 -1.26 -4.83 116.55 128.12 1u2j n ASP 565 Ca 0.25 0.98 -0.11 0.00 -1.38 0.00 0.00 54.79 54.53 1u2j n ASP 565 Cb 0.43 -1.36 -0.05 0.00 -1.04 0.00 0.00 41.12 39.10 1u2j n ASP 565 CO 0.00 0.00 0.00 0.40 -0.82 0.00 0.00 177.20 176.78 1u2j h ILE 566 N 5.38 1.23 -0.55 5.18 1.08 -1.90 -2.49 117.51 125.44 1u2j h ILE 566 Ca -0.48 -0.78 0.02 0.00 -0.39 0.00 0.00 64.86 63.23 1u2j h ILE 566 Cb 1.27 1.34 -0.03 0.00 -3.07 0.00 0.00 36.82 36.32 1u2j h ILE 566 CO 0.95 0.24 0.35 -0.08 -0.69 0.00 0.00 178.15 178.91 1u2j h GLU 567 N 0.15 0.67 0.00 2.37 4.81 -1.98 -0.19 114.58 120.40 1u2j h GLU 567 Ca 0.06 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1u2j h GLU 567 Cb 0.34 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.56 1u2j h GLU 567 CO 0.01 0.44 0.00 0.52 -0.73 0.00 0.00 179.01 179.25 1u2j h MET 568 N 0.69 0.00 0.00 1.92 2.86 -1.92 -2.80 114.93 115.69 1u2j h MET 568 Ca 0.22 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.86 1u2j h MET 568 Cb -0.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.65 1u2j h MET 568 CO -0.08 0.00 -1.50 1.19 1.06 0.00 0.00 176.91 177.58 1u2j n PHE 569 N -2.76 0.24 -0.27 -0.22 3.72 -0.95 -3.53 117.46 113.69 1u2j n PHE 569 Ca 0.02 0.07 0.08 0.00 -0.05 0.00 0.00 57.45 57.57 1u2j n PHE 569 Cb 0.33 -0.52 0.32 0.00 -0.94 0.00 0.00 39.48 38.67 1u2j n PHE 569 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 1u2j h GLU 570 N 0.00 0.81 -1.02 -1.08 4.57 -0.76 0.06 114.58 117.16 1u2j h GLU 570 Ca 0.00 -0.05 0.28 0.00 -1.18 0.00 0.00 59.36 58.41 1u2j h GLU 570 Cb 0.89 -0.18 -0.06 0.00 -0.16 0.00 0.00 28.75 29.24 1u2j h GLU 570 CO 0.00 0.53 0.71 -0.07 -1.18 0.00 0.00 179.01 179.00 1u2j h LEU 571 N 0.83 0.16 0.00 1.64 3.38 -1.60 -1.55 115.31 118.17 1u2j h LEU 571 Ca 0.40 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.40 1u2j h LEU 571 Cb 0.44 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1u2j h LEU 571 CO -0.17 0.04 -0.64 0.18 0.09 0.00 0.00 178.44 177.94 1u2j n LEU 572 N -4.36 0.59 -4.68 1.67 4.77 -0.00 -4.84 117.00 110.15 1u2j n LEU 572 Ca 0.22 0.04 -0.42 0.00 -0.03 0.00 0.00 56.01 55.82 1u2j n LEU 572 Cb 0.99 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 41.86 1u2j n LEU 572 CO 0.35 0.07 1.50 -0.70 -1.33 0.00 0.00 177.39 177.28 1u2j s GLU 573 N -3.08 4.14 -0.12 3.23 2.12 -0.59 -4.90 118.70 119.51 1u2j s GLU 573 Ca 0.08 2.57 -0.23 0.00 0.36 0.00 0.00 54.97 57.75 1u2j s GLU 573 Cb 0.16 -3.80 -0.03 0.00 0.26 0.00 0.00 34.13 30.71 1u2j s GLU 573 CO 0.73 -0.87 0.71 -1.25 -0.54 0.00 0.00 175.26 174.03 1u2j s PRO 574 N 3.37 4.36 0.00 4.30 0.04 -1.26 -4.94 135.00 140.87 1u2j s PRO 574 Ca 0.83 0.84 0.00 0.00 0.04 0.00 0.00 61.00 62.71 1u2j s PRO 574 Cb -0.44 -3.50 0.00 0.00 0.04 0.00 0.00 34.50 30.60 1u2j s PRO 574 CO 0.38 -0.08 0.00 -0.89 0.04 0.00 0.00 177.00 176.44 1u2j n ILE 575 N 4.17 0.00 -3.57 0.56 5.41 -1.26 -4.81 119.36 119.87 1u2j n ILE 575 Ca -0.00 0.00 -0.06 0.00 1.00 0.00 0.00 62.75 63.69 1u2j n ILE 575 Cb 0.50 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 39.42 1u2j n ILE 575 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1u2j s ALA 576 N -4.69 -1.90 -0.48 -1.39 0.00 -1.26 -2.56 121.76 109.48 1u2j s ALA 576 Ca 0.00 1.02 0.06 0.00 0.00 0.00 0.00 51.96 53.05 1u2j s ALA 576 Cb 0.00 0.30 0.19 0.00 0.00 0.00 0.00 23.12 23.61 1u2j s ALA 576 CO 0.00 -0.74 0.64 -3.47 0.00 0.00 0.00 175.76 172.19 1u2j n ASP 577 N -0.25 -2.53 0.31 0.00 -0.08 0.81 -4.95 116.55 109.86 1u2j n ASP 577 Ca -0.06 -2.81 0.06 0.00 -1.51 0.00 0.00 54.79 50.48 1u2j n ASP 577 Cb 0.61 1.09 0.31 0.00 2.34 0.00 0.00 41.12 45.47 1u2j n ASP 577 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1u2j h GLY 578 N 5.03 0.00 2.00 0.27 0.00 -1.89 0.75 103.07 109.23 1u2j h GLY 578 Ca 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.40 1u2j h GLY 578 CO 0.15 0.00 -0.10 0.74 0.00 0.00 0.00 176.54 177.33 1u2j h PHE 579 N 0.00 0.00 -0.21 5.60 0.04 -1.94 -2.49 116.94 117.95 1u2j h PHE 579 Ca 0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.79 1u2j h PHE 579 Cb 1.56 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.71 1u2j h PHE 579 CO 0.00 0.10 0.00 0.54 -0.60 0.00 0.00 178.31 178.35 1u2j n ARG 580 N -3.17 2.69 -4.10 1.51 1.74 0.26 -4.71 116.66 110.87 1u2j n ARG 580 Ca 0.02 -2.27 -0.28 0.00 -0.77 0.00 0.00 57.85 54.55 1u2j n ARG 580 Cb 0.45 -1.43 -0.05 0.00 -1.02 0.00 0.00 32.46 30.42 1u2j n ARG 580 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1u2j n ASN 581 N -0.26 -0.21 -4.30 0.55 3.02 -0.94 -1.06 115.26 112.06 1u2j n ASN 581 Ca 0.13 -1.10 -0.33 0.00 -0.03 0.00 0.00 54.58 53.26 1u2j n ASN 581 Cb 0.57 -2.55 -0.15 0.00 -0.61 0.00 0.00 39.78 37.03 1u2j n ASN 581 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1u2j s TYR 582 N -4.02 2.73 -0.16 3.10 5.04 -1.04 -4.73 117.35 118.26 1u2j s TYR 582 Ca 0.09 -0.86 -0.04 0.00 -2.44 0.00 0.00 57.07 53.82 1u2j s TYR 582 Cb -0.05 -1.81 0.08 0.00 0.35 0.00 0.00 41.96 40.53 1u2j s TYR 582 CO 0.93 -0.33 0.25 0.50 -1.34 0.00 0.00 175.55 175.55 1u2j s ARG 583 N 0.45 0.17 0.50 4.97 3.52 -1.26 -0.14 118.95 127.15 1u2j s ARG 583 Ca -0.12 0.53 -0.05 0.00 -0.13 0.00 0.00 55.73 55.96 1u2j s ARG 583 Cb -0.16 -0.49 -0.02 0.00 -1.56 0.00 0.00 34.95 32.71 1u2j s ARG 583 CO 0.05 -0.44 0.79 0.00 -0.81 0.00 0.00 175.30 174.90 1u2j s ALA 584 N 2.39 3.42 -0.86 6.12 0.00 -1.06 -4.79 121.76 126.98 1u2j s ALA 584 Ca 0.04 -0.63 -0.03 0.00 0.00 0.00 0.00 51.96 51.35 1u2j s ALA 584 Cb -0.14 -2.53 -0.03 0.00 0.00 0.00 0.00 23.12 20.42 1u2j s ALA 584 CO -0.10 -0.45 0.74 0.54 0.00 0.00 0.00 175.76 176.49 1u2j n ARG 585 N -2.30 -2.97 -0.29 0.00 1.74 -1.26 -4.88 116.66 106.69 1u2j n ARG 585 Ca 0.01 0.67 -0.02 0.00 -0.77 0.00 0.00 57.85 57.75 1u2j n ARG 585 Cb 0.56 -4.96 0.02 0.00 -1.02 0.00 0.00 32.46 27.05 1u2j n ARG 585 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1u2j n LEU 586 N -3.06 -0.53 -3.83 0.55 7.94 -1.26 -2.66 117.00 114.15 1u2j n LEU 586 Ca -0.12 1.31 -0.40 0.00 -1.11 0.00 0.00 56.01 55.69 1u2j n LEU 586 Cb 0.61 -0.28 -0.06 0.00 0.53 0.00 0.00 43.42 44.22 1u2j n LEU 586 CO 0.46 -1.16 2.00 -0.67 -1.11 0.00 0.00 177.39 176.91 1u2j n ASP 587 N -5.08 2.69 0.00 1.96 -0.08 -1.26 -4.58 116.55 110.20 1u2j n ASP 587 Ca 0.07 -2.69 0.00 0.00 -1.51 0.00 0.00 54.79 50.66 1u2j n ASP 587 Cb 0.29 -1.26 0.00 0.00 2.34 0.00 0.00 41.12 42.49 1u2j n ASP 587 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 1u2j n VAL 588 N 6.36 0.00 0.00 5.18 3.14 -1.09 -5.17 118.33 126.76 1u2j n VAL 588 Ca 0.49 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.87 1u2j n VAL 588 Cb 0.42 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.20 1u2j n VAL 588 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 1u2j n SER 589 N 0.00 0.00 -4.92 6.55 3.41 -1.26 -5.04 113.62 112.37 1u2j n SER 589 Ca 0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.34 1u2j n SER 589 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 1u2j n SER 589 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1u2j s THR 590 N 0.00 5.05 0.22 6.66 -4.23 -1.26 -4.98 115.64 117.10 1u2j s THR 590 Ca 0.00 -0.10 -0.04 0.00 -1.18 0.00 0.00 61.69 60.38 1u2j s THR 590 Cb 0.00 -3.77 0.03 0.00 1.34 0.00 0.00 72.50 70.10 1u2j s THR 590 CO 0.00 -0.40 1.63 0.71 -0.54 0.00 0.00 174.62 176.02 1u2j h THR 591 N 1.14 1.27 0.00 3.99 1.35 -1.96 0.55 112.91 119.26 1u2j h THR 591 Ca -0.48 -1.35 -0.10 0.00 -0.55 0.00 0.00 66.41 63.92 1u2j h THR 591 Cb 1.20 1.25 -0.01 0.00 -1.73 0.00 0.00 68.15 68.85 1u2j h THR 591 CO 0.65 0.45 -0.49 1.05 -0.25 0.00 0.00 175.52 176.92 1u2j h GLU 592 N 0.64 0.00 -0.25 4.72 9.09 -1.94 -0.41 114.58 126.42 1u2j h GLU 592 Ca 0.09 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.43 1u2j h GLU 592 Cb 0.75 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.84 1u2j h GLU 592 CO 0.06 0.49 -0.10 0.77 0.05 0.00 0.00 179.01 180.28 1u2j h SER 593 N 0.00 0.53 0.23 3.06 0.02 -1.79 -2.53 113.55 113.06 1u2j h SER 593 Ca -0.00 -0.39 -0.03 0.00 -0.84 0.00 0.00 61.79 60.52 1u2j h SER 593 Cb 0.87 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 63.26 1u2j h SER 593 CO 0.06 0.80 -0.13 -0.07 -1.14 0.00 0.00 176.83 176.36 1u2j h LEU 594 N 0.25 0.00 -0.15 5.07 3.38 -0.37 -0.71 115.31 122.78 1u2j h LEU 594 Ca 0.06 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 1u2j h LEU 594 Cb 0.59 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 1u2j h LEU 594 CO 0.03 0.13 -0.20 0.25 0.09 0.00 0.00 178.44 178.74 1u2j h LEU 595 N 0.00 0.44 -1.03 1.67 5.85 -0.93 -0.14 115.31 121.17 1u2j h LEU 595 Ca -0.00 -0.51 -0.09 0.00 0.84 0.00 0.00 57.88 58.12 1u2j h LEU 595 Cb 0.28 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1u2j h LEU 595 CO 0.02 0.86 -0.28 0.40 -0.34 0.00 0.00 178.44 179.10 1u2j h ILE 596 N 0.02 1.26 -0.51 4.05 1.08 -1.18 -2.13 117.51 120.11 1u2j h ILE 596 Ca 0.02 -1.26 -0.09 0.00 -0.39 0.00 0.00 64.86 63.13 1u2j h ILE 596 Cb 0.76 1.44 -0.02 0.00 -3.07 0.00 0.00 36.82 35.93 1u2j h ILE 596 CO 0.05 0.39 -0.04 -0.78 -0.69 0.00 0.00 178.15 177.08 1u2j h ASP 597 N 0.31 0.91 -0.67 1.72 1.82 -0.90 -2.06 116.42 117.56 1u2j h ASP 597 Ca 0.04 -0.33 -0.05 0.00 -0.39 0.00 0.00 57.03 56.31 1u2j h ASP 597 Cb 0.66 -0.25 -0.03 0.00 0.68 0.00 0.00 39.33 40.40 1u2j h ASP 597 CO 0.05 1.02 0.23 0.50 -1.61 0.00 0.00 179.24 179.43 1u2j h LYS 598 N 0.78 1.02 -0.29 0.28 1.63 -0.79 -1.21 116.57 117.99 1u2j h LYS 598 Ca 0.14 -0.21 -0.04 0.00 -0.85 0.00 0.00 60.65 59.69 1u2j h LYS 598 Cb 0.58 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 32.04 1u2j h LYS 598 CO 0.03 0.87 -0.01 0.00 -3.45 0.00 0.00 179.45 176.90 1u2j h ALA 599 N 1.10 1.45 -0.07 5.00 0.00 -1.29 -1.98 119.26 123.47 1u2j h ALA 599 Ca 0.22 -0.18 -0.21 0.00 0.00 0.00 0.00 54.91 54.73 1u2j h ALA 599 Cb 0.26 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1u2j h ALA 599 CO -0.01 0.39 -0.83 0.37 0.00 0.00 0.00 179.25 179.18 1u2j h GLN 600 N 0.43 0.53 -0.78 0.00 4.15 -0.95 0.18 115.11 118.67 1u2j h GLN 600 Ca 0.10 -0.48 0.08 0.00 0.77 0.00 0.00 58.65 59.12 1u2j h GLN 600 Cb 0.29 0.11 -0.07 0.00 0.21 0.00 0.00 27.48 28.03 1u2j h GLN 600 CO 0.01 1.11 0.45 1.96 -1.93 0.00 0.00 178.83 180.42 1u2j h GLN 601 N 0.34 0.76 -0.19 1.69 4.20 -0.88 -0.88 115.11 120.15 1u2j h GLN 601 Ca -0.06 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.61 1u2j h GLN 601 Cb 1.44 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 29.05 1u2j h GLN 601 CO 0.15 0.50 0.00 1.28 -0.67 0.00 0.00 178.83 180.09 1u2j n LEU 602 N -4.74 1.15 -2.10 1.46 4.77 -0.78 -0.96 117.00 115.80 1u2j n LEU 602 Ca 0.12 -0.55 -0.17 0.00 -0.03 0.00 0.00 56.01 55.38 1u2j n LEU 602 Cb 0.23 -0.13 -0.03 0.00 -2.33 0.00 0.00 43.42 41.16 1u2j n LEU 602 CO 0.28 0.28 -0.20 0.35 -1.33 0.00 0.00 177.39 176.77 1u2j n THR 603 N 0.08 -0.53 -2.84 -5.08 -2.24 -0.34 -4.94 114.28 98.39 1u2j n THR 603 Ca 0.10 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.53 1u2j n THR 603 Cb 0.20 -2.14 -0.07 0.00 -2.10 0.00 0.00 70.33 66.22 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 -5.30 4.13 0.87 3.22 1.43 0.53 -4.99 118.68 118.58 1u2j s LEU 604 Ca 0.00 1.70 -0.13 0.00 -1.03 0.00 0.00 54.13 54.67 1u2j s LEU 604 Cb 0.00 -4.24 0.12 0.00 0.03 0.00 0.00 46.19 42.10 1u2j s LEU 604 CO 0.00 -0.21 1.21 0.42 0.23 0.00 0.00 176.35 178.00 1u2j s THR 605 N -1.90 1.99 0.16 5.49 -4.23 -1.26 -4.58 115.64 111.31 1u2j s THR 605 Ca 0.56 0.00 -0.10 0.00 -1.18 0.00 0.00 61.69 60.97 1u2j s THR 605 Cb -0.13 -2.95 0.01 0.00 1.34 0.00 0.00 72.50 70.76 1u2j s THR 605 CO 0.18 0.00 1.55 0.00 -0.54 0.00 0.00 174.62 175.81 1u2j h ALA 606 N -1.30 0.70 -0.87 3.99 0.00 -1.99 -0.17 119.26 119.62 1u2j h ALA 606 Ca -0.46 -0.39 0.03 0.00 0.00 0.00 0.00 54.91 54.09 1u2j h ALA 606 Cb 1.31 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 1u2j h ALA 606 CO 0.58 0.68 0.56 -1.35 0.00 0.00 0.00 179.25 179.72 1u2j h PRO 607 N 0.87 1.07 -0.65 0.00 0.11 -1.96 -0.67 132.00 130.77 1u2j h PRO 607 Ca 0.11 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 66.09 1u2j h PRO 607 Cb 0.79 -0.24 -0.03 0.00 0.11 0.00 0.00 31.00 31.63 1u2j h PRO 607 CO 0.07 0.71 0.15 0.93 -0.21 0.00 0.00 178.00 179.65 1u2j h GLU 608 N 1.11 1.04 0.05 1.05 5.08 -1.80 -0.01 114.58 121.10 1u2j h GLU 608 Ca 0.34 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1u2j h GLU 608 Cb -0.02 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.10 1u2j h GLU 608 CO -0.11 0.94 -0.02 1.98 -1.00 0.00 0.00 179.01 180.80 1u2j h MET 609 N 0.96 -0.06 0.22 2.33 4.05 -0.83 -1.07 114.93 120.53 1u2j h MET 609 Ca 0.20 0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.64 1u2j h MET 609 Cb 0.37 0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.15 1u2j h MET 609 CO 0.00 -0.03 -0.34 1.15 0.23 0.00 0.00 176.91 177.92 1u2j h THR 610 N -0.08 0.29 -0.89 -0.77 2.02 -0.89 -0.72 112.91 111.87 1u2j h THR 610 Ca -0.01 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.30 1u2j h THR 610 Cb 0.06 0.29 -0.09 0.00 -1.74 0.00 0.00 68.15 66.68 1u2j h THR 610 CO 0.01 0.00 0.51 0.00 0.37 0.00 0.00 175.52 176.41 1u2j h ALA 611 N -0.08 1.34 -0.34 6.16 0.00 -0.91 -1.31 119.26 124.13 1u2j h ALA 611 Ca 0.01 0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 1u2j h ALA 611 Cb 0.62 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1u2j h ALA 611 CO -0.13 0.04 -0.41 -0.07 0.00 0.00 0.00 179.25 178.67 1u2j h LEU 612 N 0.77 0.95 -0.04 0.00 3.38 -0.59 0.12 115.31 119.91 1u2j h LEU 612 Ca 0.46 -0.49 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1u2j h LEU 612 Cb 0.55 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1u2j h LEU 612 CO -0.31 1.25 -0.07 0.58 0.09 0.00 0.00 178.44 179.98 1u2j h VAL 613 N 0.67 1.44 -0.83 1.22 2.07 -0.79 0.13 116.25 120.16 1u2j h VAL 613 Ca 0.04 -1.40 0.14 0.00 0.82 0.00 0.00 66.70 66.30 1u2j h VAL 613 Cb 1.01 2.29 -0.09 0.00 -1.52 0.00 0.00 31.29 32.98 1u2j h VAL 613 CO 0.10 0.38 0.41 1.23 0.02 0.00 0.00 177.57 179.71 1u2j h GLY 614 N -0.42 1.33 0.93 2.17 0.00 -1.18 -0.96 103.07 104.93 1u2j h GLY 614 Ca 0.00 -0.24 -0.10 0.00 0.00 0.00 0.00 47.33 46.99 1u2j h GLY 614 CO 0.02 -0.04 -0.22 -1.33 0.00 0.00 0.00 176.54 174.97 1u2j h GLY 615 N 0.60 0.71 0.97 4.60 0.00 -0.58 -3.04 103.07 106.33 1u2j h GLY 615 Ca 0.45 -0.69 -0.08 0.00 0.00 0.00 0.00 47.33 47.01 1u2j h GLY 615 CO -0.36 0.63 -0.05 1.98 0.00 0.00 0.00 176.54 178.73 1u2j h MET 616 N 0.39 0.75 -0.24 4.80 -1.53 -0.10 -2.12 114.93 116.88 1u2j h MET 616 Ca 0.05 -0.27 0.03 0.00 -3.44 0.00 0.00 59.70 56.08 1u2j h MET 616 Cb 0.77 -0.05 -0.06 0.00 -0.55 0.00 0.00 31.60 31.71 1u2j h MET 616 CO 0.06 0.87 -0.40 0.00 0.14 0.00 0.00 176.91 177.58 1u2j h ARG 617 N 0.57 -0.31 0.00 0.39 2.47 -1.25 -1.97 114.38 114.29 1u2j h ARG 617 Ca 0.11 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.85 1u2j h ARG 617 Cb 0.56 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.95 1u2j h ARG 617 CO 0.03 -0.20 0.00 1.33 0.56 0.00 0.00 179.97 181.69 1u2j n VAL 618 N -4.62 0.50 1.42 2.04 0.24 -1.05 -1.80 118.33 115.07 1u2j n VAL 618 Ca -0.03 0.13 0.14 0.00 -2.04 0.00 0.00 64.34 62.53 1u2j n VAL 618 Cb 0.25 -0.76 0.48 0.00 -1.47 0.00 0.00 33.84 32.34 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 -1.45 1.32 -1.72 1.34 4.77 -0.83 -1.02 117.00 119.42 1u2j n LEU 619 Ca 0.06 -0.41 -0.09 0.00 -0.03 0.00 0.00 56.01 55.54 1u2j n LEU 619 Cb 0.23 -0.04 0.03 0.00 -2.33 0.00 0.00 43.42 41.31 1u2j n LEU 619 CO 0.19 0.23 0.09 0.61 -1.33 0.00 0.00 177.39 177.18 1u2j n GLY 620 N 1.23 0.36 1.42 -0.72 0.00 -0.75 -3.45 105.19 103.29 1u2j n GLY 620 Ca 0.17 -0.31 0.08 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.42 3.45 -1.41 4.61 0.00 -0.76 -4.73 120.51 118.26 1u2j n ALA 621 Ca -0.00 -2.10 -0.35 0.00 0.00 0.00 0.00 53.44 50.99 1u2j n ALA 621 Cb 0.53 -0.93 0.09 0.00 0.00 0.00 0.00 19.45 19.14 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 0.10 1.25 0.05 0.00 3.02 -1.26 -4.54 115.26 113.88 1u2j n ASN 622 Ca 0.25 0.70 0.09 0.00 -0.03 0.00 0.00 54.58 55.59 1u2j n ASN 622 Cb 1.05 -1.50 0.39 0.00 -0.61 0.00 0.00 39.78 39.11 1u2j n ASN 622 CO 0.00 0.00 0.00 2.22 -2.62 0.00 0.00 177.26 176.86 1u2j n PHE 623 N -2.56 0.32 -1.95 3.10 1.16 -0.22 -2.74 117.46 114.56 1u2j n PHE 623 Ca 0.14 0.12 0.05 0.00 -1.87 0.00 0.00 57.45 55.90 1u2j n PHE 623 Cb 0.49 -0.70 0.12 0.00 -1.61 0.00 0.00 39.48 37.78 1u2j n PHE 623 CO 0.00 0.00 0.00 -0.40 -1.87 0.00 0.00 176.76 174.49 1u2j n ASP 624 N -1.79 1.36 0.00 5.98 5.68 -1.26 -4.18 116.55 122.35 1u2j n ASP 624 Ca 0.03 -2.96 0.00 0.00 -0.50 0.00 0.00 54.79 51.36 1u2j n ASP 624 Cb 0.20 -0.41 0.00 0.00 -1.14 0.00 0.00 41.12 39.77 1u2j n ASP 624 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1u2j n GLY 625 N -0.42 0.00 3.40 6.12 0.00 -1.11 -4.92 105.19 108.25 1u2j n GLY 625 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 1u2j n GLY 625 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1u2j n SER 626 N -0.14 -1.88 -0.07 1.61 3.41 -1.26 -4.94 113.62 110.35 1u2j n SER 626 Ca 0.00 0.07 0.05 0.00 -0.26 0.00 0.00 58.87 58.73 1u2j n SER 626 Cb 0.07 -1.15 -0.04 0.00 -0.26 0.00 0.00 64.21 62.83 1u2j n SER 626 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1u2j n LYS 627 N -2.74 3.01 -1.68 4.33 5.02 -1.26 -4.61 118.16 120.22 1u2j n LYS 627 Ca 0.04 -0.19 -0.53 0.00 -2.02 0.00 0.00 58.31 55.61 1u2j n LYS 627 Cb 0.57 -1.05 -0.06 0.00 -0.02 0.00 0.00 35.03 34.47 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 -0.96 2.70 0.00 4.39 3.02 -1.26 -0.35 115.26 122.80 1u2j n ASN 628 Ca 0.03 1.05 0.00 0.00 -0.03 0.00 0.00 54.58 55.63 1u2j n ASN 628 Cb 0.19 -1.24 0.00 0.00 -0.61 0.00 0.00 39.78 38.12 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 4.00 2.46 3.14 7.41 0.00 0.16 -4.76 105.19 117.59 1u2j n GLY 629 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 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 3.55 -1.86 1.61 0.31 0.52 -4.80 118.33 115.67 1u2j n VAL 630 Ca 0.00 -3.40 -0.41 0.00 -0.01 0.00 0.00 64.34 60.52 1u2j n VAL 630 Cb 0.00 -2.47 -0.01 0.00 -0.91 0.00 0.00 33.84 30.45 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 7.41 2.79 -3.69 3.52 3.72 -1.26 -4.83 117.46 125.12 1u2j n PHE 631 Ca 0.50 -2.91 -0.14 0.00 -0.05 0.00 0.00 57.45 54.86 1u2j n PHE 631 Cb 0.42 -2.16 -0.07 0.00 -0.94 0.00 0.00 39.48 36.73 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 0.83 0.05 -1.08 4.37 -1.32 -1.26 -3.83 115.64 113.39 1u2j s THR 632 Ca 0.53 -0.41 0.25 0.00 -1.21 0.00 0.00 61.69 60.85 1u2j s THR 632 Cb 0.15 -0.80 0.04 0.00 -1.51 0.00 0.00 72.50 70.38 1u2j s THR 632 CO -0.06 -0.23 1.44 -0.90 -2.21 0.00 0.00 174.62 172.66 1u2j n ASP 633 N 0.93 0.55 -3.66 8.08 5.75 -1.26 -4.62 116.55 122.32 1u2j n ASP 633 Ca -0.20 -0.31 -0.29 0.00 -0.01 0.00 0.00 54.79 53.98 1u2j n ASP 633 Cb 0.58 0.23 -0.12 0.00 -1.03 0.00 0.00 41.12 40.77 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 -2.94 1.38 0.57 0.11 3.03 -1.26 -5.12 118.95 114.72 1u2j s ARG 634 Ca 0.13 -2.25 -0.20 0.00 2.03 0.00 0.00 55.73 55.43 1u2j s ARG 634 Cb 0.18 -2.27 -0.04 0.00 -1.03 0.00 0.00 34.95 31.78 1u2j s ARG 634 CO 0.68 -1.24 1.29 0.08 -1.13 0.00 0.00 175.30 174.98 1u2j s VAL 635 N -0.02 2.30 0.00 4.99 1.01 -1.26 -3.04 120.40 124.38 1u2j s VAL 635 Ca 0.23 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.42 1u2j s VAL 635 Cb -0.14 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.14 1u2j s VAL 635 CO -0.08 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.61 1u2j n GLY 636 N 0.69 0.87 3.50 4.51 0.00 -0.19 -4.98 105.19 109.59 1u2j n GLY 636 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.45 3.17 -1.33 1.61 -7.23 -1.17 -4.12 120.40 107.89 1u2j s VAL 637 Ca 0.00 -0.74 -0.10 0.00 -1.81 0.00 0.00 61.98 59.33 1u2j s VAL 637 Cb 0.00 -2.27 0.13 0.00 0.56 0.00 0.00 36.38 34.80 1u2j s VAL 637 CO 0.00 0.55 2.00 -0.11 -0.31 0.00 0.00 175.10 177.23 1u2j n LEU 638 N 2.15 6.82 0.00 1.32 7.94 -0.90 -4.62 117.00 129.71 1u2j n LEU 638 Ca -0.17 -4.55 -0.19 0.00 -1.11 0.00 0.00 56.01 49.99 1u2j n LEU 638 Cb 0.52 -1.51 0.08 0.00 0.53 0.00 0.00 43.42 43.05 1u2j n LEU 638 CO 0.26 1.38 0.41 -1.54 -1.11 0.00 0.00 177.39 176.79 1u2j n SER 639 N 4.18 1.57 -1.86 1.96 3.41 -1.26 -4.85 113.62 116.77 1u2j n SER 639 Ca 0.44 -2.21 0.06 0.00 -0.26 0.00 0.00 58.87 56.90 1u2j n SER 639 Cb 0.36 -0.47 0.39 0.00 -0.26 0.00 0.00 64.21 64.22 1u2j n SER 639 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1u2j n ASN 640 N -2.64 5.54 -0.31 4.04 0.23 -1.26 -4.64 115.26 116.22 1u2j n ASN 640 Ca 0.15 -2.92 0.06 0.00 -0.53 0.00 0.00 54.58 51.34 1u2j n ASN 640 Cb 0.53 -0.69 0.13 0.00 -2.08 0.00 0.00 39.78 37.68 1u2j n ASN 640 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1u2j n ASP 641 N 0.56 -0.30 -0.15 0.53 9.92 -1.26 -1.07 116.55 124.78 1u2j n ASP 641 Ca 0.28 1.50 -0.05 0.00 -0.53 0.00 0.00 54.79 55.99 1u2j n ASP 641 Cb 1.18 -0.46 0.02 0.00 -0.64 0.00 0.00 41.12 41.21 1u2j n ASP 641 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 1u2j h PHE 642 N 0.00 -0.63 0.02 1.24 3.57 -1.82 -2.07 116.94 117.25 1u2j h PHE 642 Ca 0.43 0.05 -0.25 0.00 3.53 0.00 0.00 57.97 61.73 1u2j h PHE 642 Cb 0.67 0.35 0.01 0.00 2.79 0.00 0.00 35.95 39.77 1u2j h PHE 642 CO -0.66 -0.32 -1.03 0.74 -2.23 0.00 0.00 178.31 174.81 1u2j h PHE 643 N -0.14 0.77 -0.91 0.41 0.04 -1.43 -2.18 116.94 113.50 1u2j h PHE 643 Ca 0.22 -0.44 0.00 0.00 2.80 0.00 0.00 57.97 60.56 1u2j h PHE 643 Cb 0.49 -0.08 -0.04 0.00 2.20 0.00 0.00 35.95 38.51 1u2j h PHE 643 CO -0.51 1.27 0.58 0.28 -0.60 0.00 0.00 178.31 179.33 1u2j h VAL 644 N 0.27 1.24 0.14 -0.55 2.07 -0.77 -3.02 116.25 115.62 1u2j h VAL 644 Ca -0.11 -0.47 -0.33 0.00 0.82 0.00 0.00 66.70 66.60 1u2j h VAL 644 Cb 1.68 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 1u2j h VAL 644 CO 0.19 0.24 -1.71 0.78 0.02 0.00 0.00 177.57 177.08 1u2j h ASN 645 N 1.24 0.45 0.35 0.57 2.35 -1.39 -2.98 115.58 116.17 1u2j h ASN 645 Ca 0.33 -0.72 0.00 0.00 -0.55 0.00 0.00 56.30 55.36 1u2j h ASN 645 Cb -0.10 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.12 1u2j h ASN 645 CO -0.07 1.61 0.00 0.25 -1.65 0.00 0.00 177.43 177.58 1u2j h LEU 646 N 0.08 0.00 -1.75 1.61 5.85 -1.39 -1.48 115.31 118.23 1u2j h LEU 646 Ca -0.32 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.40 1u2j h LEU 646 Cb 2.05 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.08 1u2j h LEU 646 CO 0.15 0.00 0.00 0.18 -0.34 0.00 0.00 178.44 178.43 1u2j n LEU 647 N -2.90 2.03 -4.58 2.25 4.77 -1.15 -4.79 117.00 112.63 1u2j n LEU 647 Ca -0.01 -1.25 -0.43 0.00 -0.03 0.00 0.00 56.01 54.28 1u2j n LEU 647 Cb 0.14 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.15 1u2j n LEU 647 CO 0.21 0.44 0.87 -0.62 -1.33 0.00 0.00 177.39 176.95 1u2j s ASP 648 N -0.83 6.57 0.00 -1.43 -1.08 -0.56 -4.84 116.67 114.50 1u2j s ASP 648 Ca 0.13 0.29 0.00 0.00 -0.52 0.00 0.00 52.55 52.45 1u2j s ASP 648 Cb 0.08 -2.49 0.00 0.00 -1.46 0.00 0.00 42.92 39.05 1u2j s ASP 648 CO 0.12 -1.13 0.35 0.23 0.52 0.00 0.00 175.17 175.26 1u2j n MET 649 N 7.44 0.40 0.07 4.34 2.81 -1.26 -2.02 117.12 128.89 1u2j n MET 649 Ca 0.09 0.00 0.02 0.00 -1.81 0.00 0.00 57.70 56.00 1u2j n MET 649 Cb 0.49 -1.05 -0.05 0.00 -0.71 0.00 0.00 33.22 31.90 1u2j n MET 649 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 1u2j h ARG 650 N 0.16 0.00 -6.03 0.03 2.43 -1.91 -3.45 114.38 105.60 1u2j h ARG 650 Ca 0.00 0.00 -0.63 0.00 -0.81 0.00 0.00 59.98 58.54 1u2j h ARG 650 Cb 0.05 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.54 1u2j h ARG 650 CO 0.00 0.31 -0.54 0.71 -1.51 0.00 0.00 179.97 178.93 1u2j s TYR 651 N -2.98 3.37 -0.03 2.20 1.51 -0.86 -1.38 117.35 119.18 1u2j s TYR 651 Ca -0.01 0.17 0.06 0.00 -1.01 0.00 0.00 57.07 56.28 1u2j s TYR 651 Cb 0.08 -1.69 -0.01 0.00 -0.11 0.00 0.00 41.96 40.23 1u2j s TYR 651 CO 0.79 0.56 -0.21 -2.00 -1.11 0.00 0.00 175.55 173.58 1u2j s GLU 652 N -2.48 1.85 -0.09 -0.62 2.12 -0.74 -4.92 118.70 113.82 1u2j s GLU 652 Ca 0.32 -0.74 0.03 0.00 0.36 0.00 0.00 54.97 54.95 1u2j s GLU 652 Cb -0.13 -1.70 -0.01 0.00 0.26 0.00 0.00 34.13 32.55 1u2j s GLU 652 CO 0.25 0.39 -0.18 -1.58 -0.54 0.00 0.00 175.26 173.61 1u2j s TRP 653 N -0.31 2.66 0.05 5.30 0.52 -1.26 -1.19 118.94 124.71 1u2j s TRP 653 Ca 0.03 -0.59 -0.00 0.00 0.02 0.00 0.00 56.10 55.56 1u2j s TRP 653 Cb -0.10 -1.71 -0.03 0.00 -1.15 0.00 0.00 33.47 30.48 1u2j s TRP 653 CO 0.01 -0.14 -0.04 0.15 0.02 0.00 0.00 176.95 176.95 1u2j s LYS 654 N -0.05 0.54 0.58 4.98 1.02 -1.10 -4.95 119.74 120.76 1u2j s LYS 654 Ca -0.04 -1.02 -0.13 0.00 0.02 0.00 0.00 55.97 54.80 1u2j s LYS 654 Cb -0.14 0.10 -0.05 0.00 -0.52 0.00 0.00 37.83 37.21 1u2j s LYS 654 CO 0.04 -0.07 1.01 0.00 -0.92 0.00 0.00 175.35 175.42 1u2j s ALA 655 N -2.98 3.08 -0.11 5.17 0.00 -1.26 -1.27 121.76 124.38 1u2j s ALA 655 Ca -0.01 0.02 -0.01 0.00 0.00 0.00 0.00 51.96 51.96 1u2j s ALA 655 Cb 0.01 -3.10 -0.25 0.00 0.00 0.00 0.00 23.12 19.78 1u2j s ALA 655 CO -0.06 -0.53 0.39 0.25 0.00 0.00 0.00 175.76 175.81 1u2j n THR 656 N -2.32 1.72 -3.63 0.00 -2.24 -0.85 -4.88 114.28 102.08 1u2j n THR 656 Ca 0.06 -0.69 -0.10 0.00 -2.27 0.00 0.00 64.05 61.05 1u2j n THR 656 Cb 0.54 -1.52 -0.04 0.00 -2.10 0.00 0.00 70.33 67.21 1u2j n THR 656 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1u2j s ASP 657 N -6.75 -0.33 0.65 3.42 -4.77 -1.26 -5.03 116.67 102.60 1u2j s ASP 657 Ca -0.19 -0.31 0.15 0.00 -3.30 0.00 0.00 52.55 48.90 1u2j s ASP 657 Cb 0.07 0.55 0.68 0.00 -1.09 0.00 0.00 42.92 43.14 1u2j s ASP 657 CO 0.77 -0.97 1.35 1.05 0.70 0.00 0.00 175.17 178.07 1u2j h GLU 658 N 2.20 0.00 -0.70 2.11 -0.00 -1.99 0.38 114.58 116.57 1u2j h GLU 658 Ca -0.31 0.00 0.15 0.00 -0.00 0.00 0.00 59.36 59.20 1u2j h GLU 658 Cb 1.27 0.00 -0.12 0.00 -0.00 0.00 0.00 28.75 29.90 1u2j h GLU 658 CO 0.40 0.00 -0.06 0.66 -0.00 0.00 0.00 179.01 180.02 1u2j h SER 659 N 0.00 -0.43 -0.05 3.06 4.64 -1.98 -3.45 113.55 115.34 1u2j h SER 659 Ca 0.11 0.19 -0.02 0.00 -0.47 0.00 0.00 61.79 61.60 1u2j h SER 659 Cb 1.79 0.36 -0.01 0.00 -0.31 0.00 0.00 62.40 64.23 1u2j h SER 659 CO -0.00 -0.18 -0.02 0.29 -0.87 0.00 0.00 176.83 176.05 1u2j n LYS 660 N -5.37 -0.30 0.00 4.77 5.02 0.12 -4.89 118.16 117.51 1u2j n LYS 660 Ca 0.11 0.25 0.14 0.00 -2.02 0.00 0.00 58.31 56.79 1u2j n LYS 660 Cb 0.41 -3.63 0.47 0.00 -0.02 0.00 0.00 35.03 32.26 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 -2.52 1.41 -3.76 1.97 -0.58 -1.26 -4.77 120.64 111.12 1u2j n GLU 661 Ca -0.01 -0.83 -0.13 0.00 -0.42 0.00 0.00 57.16 55.77 1u2j n GLU 661 Cb 0.09 -1.48 -0.14 0.00 -0.57 0.00 0.00 31.44 29.34 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 -2.16 0.87 0.22 -4.62 2.96 -1.26 -3.77 118.68 110.91 1u2j s LEU 662 Ca 0.33 0.33 0.10 0.00 -0.22 0.00 0.00 54.13 54.67 1u2j s LEU 662 Cb 0.20 0.45 -0.05 0.00 0.50 0.00 0.00 46.19 47.30 1u2j s LEU 662 CO 0.39 -0.13 -0.19 -0.36 -1.32 0.00 0.00 176.35 174.75 1u2j s PHE 663 N 0.90 2.03 -0.05 5.38 0.40 0.12 -2.00 117.98 124.76 1u2j s PHE 663 Ca -0.07 -0.43 0.03 0.00 -0.60 0.00 0.00 56.93 55.86 1u2j s PHE 663 Cb -0.09 -0.95 0.01 0.00 0.51 0.00 0.00 43.02 42.50 1u2j s PHE 663 CO -0.05 0.49 -0.12 -1.83 0.70 0.00 0.00 175.22 174.41 1u2j s GLU 664 N -3.19 1.47 -0.39 0.44 -1.05 -0.40 -0.72 118.70 114.86 1u2j s GLU 664 Ca 0.23 -0.42 -0.16 0.00 -0.15 0.00 0.00 54.97 54.47 1u2j s GLU 664 Cb -0.05 -1.27 0.01 0.00 -0.44 0.00 0.00 34.13 32.38 1u2j s GLU 664 CO 0.10 0.11 0.36 0.20 0.95 0.00 0.00 175.26 176.97 1u2j s GLY 665 N 0.36 1.94 -0.07 -3.83 0.00 -0.36 -2.69 107.32 102.66 1u2j s GLY 665 Ca -0.08 -1.50 -0.15 0.00 0.00 0.00 0.00 44.72 42.99 1u2j s GLY 665 CO 0.02 1.01 0.40 0.50 0.00 0.00 0.00 173.10 175.03 1u2j s ARG 666 N 1.92 4.10 0.45 2.90 0.52 -0.33 -1.58 118.95 126.93 1u2j s ARG 666 Ca 0.09 0.34 -0.25 0.00 -0.52 0.00 0.00 55.73 55.39 1u2j s ARG 666 Cb -0.18 -3.33 -0.08 0.00 0.52 0.00 0.00 34.95 31.89 1u2j s ARG 666 CO 0.12 0.44 1.39 0.34 0.02 0.00 0.00 175.30 177.60 1u2j s ASP 667 N -0.25 5.93 0.01 0.23 -1.08 -0.14 -1.79 116.67 119.58 1u2j s ASP 667 Ca 0.23 2.83 -0.18 0.00 -0.52 0.00 0.00 52.55 54.91 1u2j s ASP 667 Cb -0.15 -2.65 -0.28 0.00 -1.46 0.00 0.00 42.92 38.38 1u2j s ASP 667 CO 0.10 -1.13 1.05 0.03 0.52 0.00 0.00 175.17 175.74 1u2j h ARG 668 N 2.32 0.48 -0.01 4.34 3.08 -1.58 0.50 114.38 123.52 1u2j h ARG 668 Ca -0.51 -0.64 0.00 0.00 0.07 0.00 0.00 59.98 58.90 1u2j h ARG 668 Cb 1.26 0.21 0.00 0.00 0.08 0.00 0.00 29.97 31.53 1u2j h ARG 668 CO 0.61 1.27 -0.23 0.39 -1.07 0.00 0.00 179.97 180.94 1u2j n GLU 669 N -4.00 0.74 0.00 0.04 1.02 -1.26 -4.30 120.64 112.88 1u2j n GLU 669 Ca -0.13 -0.39 0.00 0.00 -0.02 0.00 0.00 57.16 56.62 1u2j n GLU 669 Cb 0.86 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.78 1u2j n GLU 669 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1u2j n THR 670 N -0.79 0.00 -0.88 2.62 -2.24 -1.25 -5.04 114.28 106.71 1u2j n THR 670 Ca 0.12 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 1u2j n THR 670 Cb 0.33 0.46 0.00 0.00 -2.10 0.00 0.00 70.33 69.02 1u2j n THR 670 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u2j n GLY 671 N 0.05 0.13 3.77 3.38 0.00 0.17 -4.94 105.19 107.75 1u2j n GLY 671 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.36 4.37 -0.62 1.61 -1.05 -1.26 -4.56 118.70 115.82 1u2j s GLU 672 Ca 0.00 1.82 -0.27 0.00 -0.15 0.00 0.00 54.97 56.37 1u2j s GLU 672 Cb 0.00 -2.93 0.01 0.00 -0.44 0.00 0.00 34.13 30.77 1u2j s GLU 672 CO 0.00 -0.04 1.52 0.08 0.95 0.00 0.00 175.26 177.77 1u2j s VAL 673 N -1.31 3.62 -0.04 1.83 1.01 -1.26 -0.97 120.40 123.28 1u2j s VAL 673 Ca 0.51 0.44 0.13 0.00 0.00 0.00 0.00 61.98 63.05 1u2j s VAL 673 Cb -0.31 -4.41 -0.15 0.00 0.00 0.00 0.00 36.38 31.51 1u2j s VAL 673 CO 0.40 -1.28 1.01 0.50 0.00 0.00 0.00 175.10 175.73 1u2j h LYS 674 N 12.00 0.00 -3.38 2.72 1.63 -1.66 -3.48 116.57 124.41 1u2j h LYS 674 Ca -0.27 0.00 -0.13 0.00 -0.85 0.00 0.00 60.65 59.40 1u2j h LYS 674 Cb 1.10 0.00 -0.19 0.00 -0.60 0.00 0.00 32.23 32.54 1u2j h LYS 674 CO 1.22 0.57 -0.39 -0.06 -3.45 0.00 0.00 179.45 177.33 1u2j s PHE 675 N -2.78 -0.02 0.24 1.91 0.08 -1.18 -5.02 117.98 111.21 1u2j s PHE 675 Ca -0.01 -0.06 0.05 0.00 0.12 0.00 0.00 56.93 57.03 1u2j s PHE 675 Cb 0.09 0.00 -0.05 0.00 -0.57 0.00 0.00 43.02 42.49 1u2j s PHE 675 CO 0.81 -0.36 -0.04 0.95 -0.10 0.00 0.00 175.22 176.48 1u2j s THR 676 N -1.74 1.28 -0.12 0.64 -4.23 -1.26 -1.22 115.64 108.99 1u2j s THR 676 Ca -0.11 -2.07 -0.25 0.00 -1.18 0.00 0.00 61.69 58.07 1u2j s THR 676 Cb -0.05 -2.32 0.06 0.00 1.34 0.00 0.00 72.50 71.53 1u2j s THR 676 CO 0.01 -0.36 0.61 0.00 -0.54 0.00 0.00 174.62 174.33 1u2j s ALA 677 N -3.25 -1.54 0.50 3.99 0.00 0.10 0.36 121.76 121.91 1u2j s ALA 677 Ca 0.27 1.37 0.08 0.00 0.00 0.00 0.00 51.96 53.69 1u2j s ALA 677 Cb 0.04 -0.41 0.04 0.00 0.00 0.00 0.00 23.12 22.79 1u2j s ALA 677 CO 0.09 -0.32 0.62 -1.54 0.00 0.00 0.00 175.76 174.61 1u2j s SER 678 N -0.58 5.23 0.36 0.00 1.04 -1.26 0.11 113.70 118.60 1u2j s SER 678 Ca -0.07 -0.74 0.16 0.00 0.48 0.00 0.00 55.95 55.78 1u2j s SER 678 Cb -0.03 -0.11 0.68 0.00 0.10 0.00 0.00 66.02 66.66 1u2j s SER 678 CO 0.05 -1.04 1.76 0.03 0.98 0.00 0.00 173.24 175.03 1u2j h ARG 679 N 0.50 0.00 0.00 4.02 3.08 -1.86 -1.32 114.38 118.80 1u2j h ARG 679 Ca -0.35 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.65 1u2j h ARG 679 Cb 1.28 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.33 1u2j h ARG 679 CO 0.46 0.41 -0.21 0.00 -1.07 0.00 0.00 179.97 179.56 1u2j h ALA 680 N 1.59 1.64 0.16 0.04 0.00 -1.91 -2.13 119.26 118.66 1u2j h ALA 680 Ca -0.00 -0.19 -0.25 0.00 0.00 0.00 0.00 54.91 54.46 1u2j h ALA 680 Cb 0.82 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.59 1u2j h ALA 680 CO 0.05 0.27 -1.17 -0.44 0.00 0.00 0.00 179.25 177.96 1u2j h ASP 681 N 0.00 0.54 1.35 0.00 3.32 -1.75 -3.37 116.42 116.51 1u2j h ASP 681 Ca -0.00 -0.92 0.00 0.00 0.02 0.00 0.00 57.03 56.13 1u2j h ASP 681 Cb 0.38 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1u2j h ASP 681 CO 0.03 1.55 0.00 -0.07 -1.72 0.00 0.00 179.24 179.02 1u2j h LEU 682 N -0.21 0.00 -1.81 1.55 4.07 -1.09 -2.86 115.31 114.96 1u2j h LEU 682 Ca -0.22 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.73 1u2j h LEU 682 Cb 1.82 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.56 1u2j h LEU 682 CO 0.16 0.00 -0.04 1.62 -1.08 0.00 0.00 178.44 179.10 1u2j h VAL 683 N 0.00 0.14 0.00 1.22 3.04 -1.55 -2.21 116.25 116.89 1u2j h VAL 683 Ca 0.00 -0.48 0.00 0.00 -1.01 0.00 0.00 66.70 65.21 1u2j h VAL 683 Cb 0.67 1.41 0.00 0.00 -2.01 0.00 0.00 31.29 31.36 1u2j h VAL 683 CO 0.00 0.04 0.00 0.49 -1.01 0.00 0.00 177.57 177.09 1u2j n PHE 684 N -3.20 0.30 0.19 3.17 3.72 -1.08 -2.51 117.46 118.04 1u2j n PHE 684 Ca -0.01 0.12 0.04 0.00 -0.05 0.00 0.00 57.45 57.56 1u2j n PHE 684 Cb 0.26 -0.70 -0.06 0.00 -0.94 0.00 0.00 39.48 38.04 1u2j n PHE 684 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1u2j n GLY 685 N -0.23 -0.10 0.08 1.37 0.00 -0.85 -3.36 105.19 102.11 1u2j n GLY 685 Ca 0.02 -0.22 -0.09 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.51 1.29 -4.80 1.61 3.41 -1.13 -4.80 113.62 107.69 1u2j n SER 686 Ca -0.00 -0.02 -0.38 0.00 -0.26 0.00 0.00 58.87 58.21 1u2j n SER 686 Cb 0.18 0.69 -0.06 0.00 -0.26 0.00 0.00 64.21 64.76 1u2j n SER 686 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1u2j s ASN 687 N -5.12 7.20 0.09 4.04 2.47 -1.04 -5.00 114.94 117.56 1u2j s ASN 687 Ca -0.11 1.45 -0.12 0.00 0.42 0.00 0.00 52.86 54.50 1u2j s ASN 687 Cb 0.05 -2.43 -0.21 0.00 -1.45 0.00 0.00 41.25 37.22 1u2j s ASN 687 CO 0.62 0.20 1.21 0.77 -3.72 0.00 0.00 177.10 176.19 1u2j h SER 688 N 4.24 0.85 -0.51 -4.21 4.64 -1.90 0.13 113.55 116.80 1u2j h SER 688 Ca -0.48 -0.68 -0.12 0.00 -0.47 0.00 0.00 61.79 60.04 1u2j h SER 688 Cb 1.21 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 63.02 1u2j h SER 688 CO 0.65 1.48 -0.15 0.58 -0.87 0.00 0.00 176.83 178.53 1u2j h VAL 689 N 0.37 1.27 -0.37 0.95 2.07 -1.96 -1.82 116.25 116.76 1u2j h VAL 689 Ca -0.12 -1.30 -0.15 0.00 0.82 0.00 0.00 66.70 65.95 1u2j h VAL 689 Cb 1.67 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 32.49 1u2j h VAL 689 CO 0.20 0.45 -0.37 -0.07 0.02 0.00 0.00 177.57 177.80 1u2j h LEU 690 N 0.86 0.92 -1.20 2.57 3.38 -1.86 -3.05 115.31 116.92 1u2j h LEU 690 Ca 0.13 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 1u2j h LEU 690 Cb 0.72 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 1u2j h LEU 690 CO 0.05 1.18 0.39 -0.09 0.09 0.00 0.00 178.44 180.07 1u2j h ARG 691 N 0.71 0.94 -0.07 1.13 2.43 -0.60 -1.27 114.38 117.65 1u2j h ARG 691 Ca 0.06 -0.09 -0.10 0.00 -0.81 0.00 0.00 59.98 59.04 1u2j h ARG 691 Cb 0.94 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.29 1u2j h ARG 691 CO 0.09 0.68 -0.40 0.00 -1.51 0.00 0.00 179.97 178.83 1u2j h ALA 692 N 1.48 1.19 -0.06 2.80 0.00 -1.23 -1.53 119.26 121.91 1u2j h ALA 692 Ca 0.25 -0.39 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 1u2j h ALA 692 Cb -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1u2j h ALA 692 CO -0.04 0.56 -0.35 0.28 0.00 0.00 0.00 179.25 179.70 1u2j h VAL 693 N 0.14 1.43 0.00 0.00 2.07 -1.31 -3.24 116.25 115.33 1u2j h VAL 693 Ca 0.01 -1.78 -0.03 0.00 0.82 0.00 0.00 66.70 65.72 1u2j h VAL 693 Cb 0.77 2.38 -0.00 0.00 -1.52 0.00 0.00 31.29 32.91 1u2j h VAL 693 CO 0.06 0.51 -0.15 0.00 0.02 0.00 0.00 177.57 178.01 1u2j h ALA 694 N 0.41 1.65 -0.42 1.67 0.00 -0.97 -1.97 119.26 119.62 1u2j h ALA 694 Ca -0.03 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 1u2j h ALA 694 Cb 1.01 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1u2j h ALA 694 CO 0.07 0.19 -0.07 0.93 0.00 0.00 0.00 179.25 180.36 1u2j h GLU 695 N 0.00 0.73 -0.94 0.00 5.08 -1.33 -1.51 114.58 116.61 1u2j h GLU 695 Ca -0.00 -0.22 0.13 0.00 -1.00 0.00 0.00 59.36 58.27 1u2j h GLU 695 Cb 0.28 -0.07 -0.08 0.00 0.50 0.00 0.00 28.75 29.38 1u2j h GLU 695 CO 0.02 0.79 0.60 -0.39 -1.00 0.00 0.00 179.01 179.03 1u2j h VAL 696 N 0.67 0.89 -0.00 3.13 -1.51 -1.38 -2.38 116.25 115.67 1u2j h VAL 696 Ca 0.12 -0.29 0.00 0.00 -1.23 0.00 0.00 66.70 65.30 1u2j h VAL 696 Cb 0.52 -0.03 0.00 0.00 -2.13 0.00 0.00 31.29 29.65 1u2j h VAL 696 CO 0.03 0.15 -0.28 -1.22 -1.23 0.00 0.00 177.57 175.02 1u2j n TYR 697 N -4.58 0.00 0.77 5.19 4.01 -0.62 -3.95 117.16 117.99 1u2j n TYR 697 Ca 0.18 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 58.03 1u2j n TYR 697 Cb 0.40 -0.22 0.01 0.00 -0.31 0.00 0.00 39.34 39.21 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 -1.12 3.88 -1.78 -0.72 0.00 -0.90 -4.74 120.51 115.13 1u2j n ALA 698 Ca 0.10 -0.47 -0.41 0.00 0.00 0.00 0.00 53.44 52.65 1u2j n ALA 698 Cb 0.33 -0.92 -0.02 0.00 0.00 0.00 0.00 19.45 18.84 1u2j n ALA 698 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1u2j s SER 699 N -3.44 6.42 0.02 0.00 0.01 -1.22 -4.67 113.70 110.81 1u2j s SER 699 Ca 0.06 2.91 -0.05 0.00 1.31 0.00 0.00 55.95 60.18 1u2j s SER 699 Cb 0.16 -2.63 -0.01 0.00 0.21 0.00 0.00 66.02 63.74 1u2j s SER 699 CO 0.81 -0.88 1.08 0.77 0.41 0.00 0.00 173.24 175.43 1u2j h SER 700 N 4.81 -0.31 0.00 2.44 4.64 -1.95 0.58 113.55 123.76 1u2j h SER 700 Ca -0.47 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1u2j h SER 700 Cb 1.22 0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 1u2j h SER 700 CO 0.79 -0.04 0.00 -0.90 -0.87 0.00 0.00 176.83 175.81 1u2j n ASP 701 N -3.31 0.08 -0.80 4.97 5.75 -1.26 -3.26 116.55 118.71 1u2j n ASP 701 Ca 0.00 -0.10 0.10 0.00 -0.01 0.00 0.00 54.79 54.78 1u2j n ASP 701 Cb 0.04 -0.02 0.10 0.00 -1.03 0.00 0.00 41.12 40.21 1u2j n ASP 701 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1u2j n ALA 702 N 0.61 2.45 0.03 2.12 0.00 0.20 -4.62 120.51 121.31 1u2j n ALA 702 Ca 0.00 -0.73 0.03 0.00 0.00 0.00 0.00 53.44 52.74 1u2j n ALA 702 Cb 0.02 -0.65 0.40 0.00 0.00 0.00 0.00 19.45 19.21 1u2j n ALA 702 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1u2j h HIS 703 N 3.70 0.45 0.01 0.00 2.76 -1.70 -2.77 115.15 117.60 1u2j h HIS 703 Ca 0.00 -0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.16 1u2j h HIS 703 Cb 0.81 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.62 1u2j h HIS 703 CO 0.05 0.36 -0.01 0.93 -1.30 0.00 0.00 177.93 177.97 1u2j h GLU 704 N 0.46 -0.02 -1.01 5.26 3.07 -1.91 -2.36 114.58 118.09 1u2j h GLU 704 Ca 0.12 0.00 0.26 0.00 -0.50 0.00 0.00 59.36 59.23 1u2j h GLU 704 Cb 0.09 0.00 -0.13 0.00 -0.84 0.00 0.00 28.75 27.88 1u2j h GLU 704 CO -0.01 0.42 0.59 -0.22 -1.40 0.00 0.00 179.01 178.40 1u2j h LYS 705 N -0.99 0.53 -0.03 2.33 3.11 -1.88 -1.13 116.57 118.51 1u2j h LYS 705 Ca -0.00 -0.03 -0.01 0.00 -2.81 0.00 0.00 60.65 57.80 1u2j h LYS 705 Cb 0.45 -0.12 -0.00 0.00 -1.00 0.00 0.00 32.23 31.56 1u2j h LYS 705 CO 0.00 0.35 -0.01 0.35 -2.81 0.00 0.00 179.45 177.33 1u2j h PHE 706 N 0.54 0.06 -0.29 1.91 3.57 -1.46 0.12 116.94 121.39 1u2j h PHE 706 Ca 0.66 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 62.21 1u2j h PHE 706 Cb 1.30 -0.01 -0.08 0.00 2.79 0.00 0.00 35.95 39.94 1u2j h PHE 706 CO -0.01 0.41 -0.41 0.28 -2.23 0.00 0.00 178.31 176.36 1u2j h VAL 707 N -0.31 0.14 0.13 1.41 2.07 -1.15 0.96 116.25 119.50 1u2j h VAL 707 Ca 0.01 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.54 1u2j h VAL 707 Cb 0.39 0.14 -0.05 0.00 -1.52 0.00 0.00 31.29 30.26 1u2j h VAL 707 CO 0.00 0.00 -0.51 0.50 0.02 0.00 0.00 177.57 177.58 1u2j h LYS 708 N -0.38 -0.72 -0.96 1.57 3.11 -1.11 0.17 116.57 118.25 1u2j h LYS 708 Ca 0.12 0.05 0.11 0.00 -2.81 0.00 0.00 60.65 58.12 1u2j h LYS 708 Cb 0.59 0.16 -0.08 0.00 -1.00 0.00 0.00 32.23 31.90 1u2j h LYS 708 CO -0.50 -0.48 0.59 -0.44 -2.81 0.00 0.00 179.45 175.82 1u2j h ASP 709 N -0.74 0.87 0.29 4.20 3.45 -0.53 0.81 116.42 124.77 1u2j h ASP 709 Ca -0.00 0.05 -0.01 0.00 0.43 0.00 0.00 57.03 57.49 1u2j h ASP 709 Cb 0.75 -0.13 -0.00 0.00 -0.56 0.00 0.00 39.33 39.40 1u2j h ASP 709 CO -0.28 0.47 -0.16 0.15 -1.57 0.00 0.00 179.24 177.86 1u2j h PHE 710 N 0.95 -0.41 -0.95 4.55 3.57 0.14 -2.18 116.94 122.61 1u2j h PHE 710 Ca 0.47 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.96 1u2j h PHE 710 Cb 0.45 0.14 -0.05 0.00 2.79 0.00 0.00 35.95 39.28 1u2j h PHE 710 CO -0.02 -0.25 0.58 0.28 -2.23 0.00 0.00 178.31 176.67 1u2j h VAL 711 N -0.42 1.26 -0.42 1.41 2.07 -0.11 -0.14 116.25 119.90 1u2j h VAL 711 Ca -0.03 -0.54 -0.04 0.00 0.82 0.00 0.00 66.70 66.90 1u2j h VAL 711 Cb 0.34 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.00 1u2j h VAL 711 CO 0.05 0.27 0.10 0.00 0.02 0.00 0.00 177.57 178.01 1u2j h ALA 712 N 1.34 0.55 -0.21 1.67 0.00 -0.72 -2.15 119.26 119.74 1u2j h ALA 712 Ca 0.34 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.91 1u2j h ALA 712 Cb -0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1u2j h ALA 712 CO -0.07 0.22 -0.49 0.00 0.00 0.00 0.00 179.25 178.92 1u2j h ALA 713 N 0.96 0.76 0.47 0.00 0.00 -1.02 -1.49 119.26 118.93 1u2j h ALA 713 Ca 0.13 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 1u2j h ALA 713 Cb 0.31 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1u2j h ALA 713 CO 0.00 0.67 -0.30 2.35 0.00 0.00 0.00 179.25 181.97 1u2j h TRP 714 N 0.44 -0.81 -0.35 0.00 2.91 -0.87 -1.39 115.95 115.89 1u2j h TRP 714 Ca 0.02 -0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.03 1u2j h TRP 714 Cb 1.02 0.29 -0.02 0.00 -0.51 0.00 0.00 29.16 29.94 1u2j h TRP 714 CO 0.04 -0.46 0.19 0.28 -1.03 0.00 0.00 178.44 177.46 1u2j h VAL 715 N -0.74 1.14 -0.86 2.65 2.07 -1.31 0.13 116.25 119.33 1u2j h VAL 715 Ca -0.05 -0.38 0.21 0.00 0.82 0.00 0.00 66.70 67.30 1u2j h VAL 715 Cb 0.62 0.76 -0.12 0.00 -1.52 0.00 0.00 31.29 31.02 1u2j h VAL 715 CO 0.04 0.15 0.33 0.50 0.02 0.00 0.00 177.57 178.60 1u2j h LYS 716 N 0.43 0.35 -0.36 1.57 3.64 -1.21 0.43 116.57 121.43 1u2j h LYS 716 Ca 0.12 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.42 1u2j h LYS 716 Cb 0.07 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1u2j h LYS 716 CO -0.02 0.23 -0.03 0.28 -2.27 0.00 0.00 179.45 177.64 1u2j h VAL 717 N 0.36 1.27 -0.52 2.00 2.07 -0.01 -2.43 116.25 118.98 1u2j h VAL 717 Ca 0.52 -1.04 0.12 0.00 0.82 0.00 0.00 66.70 67.12 1u2j h VAL 717 Cb 0.97 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.94 1u2j h VAL 717 CO -0.53 0.35 0.36 0.24 0.02 0.00 0.00 177.57 178.00 1u2j h MET 718 N 0.46 0.19 -0.35 1.57 2.86 0.12 -2.74 114.93 117.05 1u2j h MET 718 Ca 0.10 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1u2j h MET 718 Cb 0.51 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.12 1u2j h MET 718 CO 0.02 0.12 0.00 0.09 1.06 0.00 0.00 176.91 178.21 1u2j n ASN 719 N -4.44 3.18 0.04 1.22 3.02 -0.28 -4.66 115.26 113.33 1u2j n ASN 719 Ca 0.09 -2.20 0.05 0.00 -0.03 0.00 0.00 54.58 52.48 1u2j n ASN 719 Cb 0.46 -0.30 0.46 0.00 -0.61 0.00 0.00 39.78 39.78 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 2.08 0.40 -1.84 3.41 3.38 -1.12 -1.57 115.31 120.05 1u2j h LEU 720 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1u2j h LEU 720 Cb 0.89 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1u2j h LEU 720 CO 0.05 0.28 0.00 -0.90 0.09 0.00 0.00 178.44 177.96 1u2j n ASP 721 N -4.48 2.72 -2.44 -0.43 5.68 -1.26 -4.60 116.55 111.73 1u2j n ASP 721 Ca 0.02 -1.91 -0.22 0.00 -0.50 0.00 0.00 54.79 52.18 1u2j n ASP 721 Cb 0.07 -0.24 -0.11 0.00 -1.14 0.00 0.00 41.12 39.70 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 1.00 2.57 0.29 0.11 5.12 -0.59 -4.39 116.66 120.77 1u2j n ARG 722 Ca 0.18 -1.72 0.16 0.00 -1.93 0.00 0.00 57.85 54.54 1u2j n ARG 722 Cb 0.47 -2.21 0.93 0.00 -1.16 0.00 0.00 32.46 30.49 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 3.44 0.00 0.00 -1.55 0.04 -1.83 -2.14 116.94 114.89 1u2j h PHE 723 Ca 0.39 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.16 1u2j h PHE 723 Cb 1.03 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.18 1u2j h PHE 723 CO 1.71 0.00 0.00 -0.40 -0.60 0.00 0.00 178.31 179.02 1u2j n ASP 724 N -3.79 0.27 0.00 2.17 5.75 -1.26 -3.06 116.55 116.62 1u2j n ASP 724 Ca -0.03 -0.78 0.00 0.00 -0.01 0.00 0.00 54.79 53.98 1u2j n ASP 724 Cb 0.10 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.05 1u2j n ASP 724 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 1u2j n LEU 725 N 0.05 0.01 -0.54 -2.12 7.94 -0.80 -5.17 117.00 116.37 1u2j n LEU 725 Ca 0.00 -0.08 0.14 0.00 -1.11 0.00 0.00 56.01 54.96 1u2j n LEU 725 Cb 0.07 0.00 0.47 0.00 0.53 0.00 0.00 43.42 44.49 1u2j n LEU 725 CO 0.00 0.00 0.84 -0.11 -1.11 0.00 0.00 177.39 177.01