#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 1.15 -3.29 1.96 2.10 -2.03 -3.42 117.51 113.98 1u2j h ILE 433 Ca 0.00 -2.92 -0.54 0.00 1.08 0.00 0.00 64.86 62.48 1u2j h ILE 433 Cb 0.00 2.60 -0.38 0.00 -1.09 0.00 0.00 36.82 37.95 1u2j h ILE 433 CO 0.00 0.70 -0.79 0.86 -1.08 0.00 0.00 178.15 177.83 1u2j s TRP 434 N -2.63 1.55 0.07 2.19 -0.11 -1.26 -5.13 118.94 113.61 1u2j s TRP 434 Ca -0.04 -0.94 0.09 0.00 1.22 0.00 0.00 56.10 56.43 1u2j s TRP 434 Cb 0.08 -1.25 -0.03 0.00 -1.50 0.00 0.00 33.47 30.77 1u2j s TRP 434 CO 0.83 -0.58 -0.24 -1.14 -4.62 0.00 0.00 176.95 171.20 1u2j s GLN 435 N 1.68 1.80 -0.24 5.86 2.00 -1.26 -5.00 119.66 124.50 1u2j s GLN 435 Ca 0.02 -1.13 -0.13 0.00 -2.00 0.00 0.00 55.36 52.12 1u2j s GLN 435 Cb -0.15 -2.03 -0.04 0.00 0.80 0.00 0.00 33.01 31.59 1u2j s GLN 435 CO -0.08 0.51 0.29 -0.51 -0.50 0.00 0.00 175.29 175.00 1u2j s ASP 436 N -1.52 6.24 0.46 6.67 1.01 -1.26 -5.06 116.67 123.21 1u2j s ASP 436 Ca 0.13 0.26 -0.23 0.00 0.71 0.00 0.00 52.55 53.43 1u2j s ASP 436 Cb -0.10 -2.17 -0.07 0.00 1.01 0.00 0.00 42.92 41.58 1u2j s ASP 436 CO 0.04 -0.05 1.16 -2.16 0.21 0.00 0.00 175.17 174.38 1u2j s PRO 437 N 1.45 3.75 0.03 8.23 0.04 -1.26 -5.06 135.00 142.19 1u2j s PRO 437 Ca 0.13 1.77 0.05 0.00 0.04 0.00 0.00 61.00 62.99 1u2j s PRO 437 Cb -0.15 -2.40 -0.02 0.00 0.04 0.00 0.00 34.50 31.97 1u2j s PRO 437 CO 0.08 -0.56 -0.15 -0.51 0.04 0.00 0.00 177.00 175.90 1u2j s LEU 438 N -3.04 2.16 0.50 -3.56 2.01 -1.26 -4.83 118.68 110.66 1u2j s LEU 438 Ca 0.64 -0.45 -0.06 0.00 0.01 0.00 0.00 54.13 54.27 1u2j s LEU 438 Cb -0.28 -0.69 -0.03 0.00 0.01 0.00 0.00 46.19 45.20 1u2j s LEU 438 CO 0.34 0.07 0.82 -2.16 1.01 0.00 0.00 176.35 176.43 1u2j s PRO 439 N -1.07 3.46 0.34 1.29 0.04 -1.26 -5.04 135.00 132.77 1u2j s PRO 439 Ca 0.03 0.20 -0.29 0.00 0.04 0.00 0.00 61.00 60.99 1u2j s PRO 439 Cb -0.08 -2.34 -0.11 0.00 0.04 0.00 0.00 34.50 32.01 1u2j s PRO 439 CO 0.01 -0.29 1.40 -0.65 0.04 0.00 0.00 177.00 177.50 1u2j s GLN 440 N -4.80 4.24 0.10 4.56 -1.52 -1.26 -4.88 119.66 116.09 1u2j s GLN 440 Ca 0.49 2.38 -0.31 0.00 -1.95 0.00 0.00 55.36 55.97 1u2j s GLN 440 Cb -0.10 -3.03 -0.10 0.00 -0.22 0.00 0.00 33.01 29.56 1u2j s GLN 440 CO 0.45 -0.36 1.82 -1.25 -0.25 0.00 0.00 175.29 175.71 1u2j s PRO 441 N -1.81 4.15 0.00 2.91 0.04 -1.26 -4.89 135.00 134.14 1u2j s PRO 441 Ca 0.51 2.55 0.27 0.00 0.04 0.00 0.00 61.00 64.37 1u2j s PRO 441 Cb -0.43 -3.70 0.82 0.00 0.04 0.00 0.00 34.50 31.23 1u2j s PRO 441 CO 0.57 -0.85 1.61 0.44 0.04 0.00 0.00 177.00 178.81 1u2j n ILE 442 N 4.89 0.00 -4.38 0.56 -5.35 -1.26 -4.93 119.36 108.89 1u2j n ILE 442 Ca 0.18 -0.22 -0.23 0.00 -0.27 0.00 0.00 62.75 62.21 1u2j n ILE 442 Cb 0.39 0.56 -0.11 0.00 -1.74 0.00 0.00 39.64 38.74 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 -2.23 2.00 -0.39 4.28 1.51 -1.26 -5.09 117.35 116.17 1u2j s TYR 443 Ca 0.31 -0.43 0.04 0.00 -1.01 0.00 0.00 57.07 55.97 1u2j s TYR 443 Cb 0.20 -0.96 0.16 0.00 -0.11 0.00 0.00 41.96 41.25 1u2j s TYR 443 CO 0.42 0.44 0.41 -0.80 -1.11 0.00 0.00 175.55 174.91 1u2j s ASN 444 N -2.91 0.90 0.34 2.29 -0.87 -1.26 -5.00 114.94 108.44 1u2j s ASN 444 Ca 0.20 -1.70 -0.27 0.00 -1.57 0.00 0.00 52.86 49.52 1u2j s ASN 444 Cb -0.05 0.62 -0.09 0.00 -0.02 0.00 0.00 41.25 41.70 1u2j s ASN 444 CO 0.09 -0.23 1.19 -2.16 -2.57 0.00 0.00 177.10 173.42 1u2j s PRO 445 N 1.28 4.32 0.68 -0.60 0.04 -1.21 -5.04 135.00 134.46 1u2j s PRO 445 Ca 0.19 1.94 -0.01 0.00 0.04 0.00 0.00 61.00 63.16 1u2j s PRO 445 Cb -0.12 -2.95 0.10 0.00 0.04 0.00 0.00 34.50 31.57 1u2j s PRO 445 CO -0.04 -0.12 0.95 0.95 0.04 0.00 0.00 177.00 178.78 1u2j s THR 446 N -1.26 2.28 -1.94 1.26 -4.23 -1.26 -4.93 115.64 105.56 1u2j s THR 446 Ca 0.51 -0.56 0.08 0.00 -1.18 0.00 0.00 61.69 60.54 1u2j s THR 446 Cb -0.34 -2.72 0.23 0.00 1.34 0.00 0.00 72.50 71.01 1u2j s THR 446 CO 0.44 0.00 0.97 -1.84 -0.54 0.00 0.00 174.62 173.64 1u2j n GLU 447 N -2.75 0.25 -0.02 3.99 0.00 -1.26 -2.34 120.64 118.51 1u2j n GLU 447 Ca 0.12 0.02 -0.02 0.00 0.00 0.00 0.00 57.16 57.29 1u2j n GLU 447 Cb 0.60 -1.50 -0.04 0.00 0.00 0.00 0.00 31.44 30.50 1u2j n GLU 447 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.13 178.07 1u2j n GLN 448 N -1.03 2.61 -0.05 3.44 -0.06 -1.26 -3.42 117.38 117.61 1u2j n GLN 448 Ca 0.06 -0.01 -0.13 0.00 -2.00 0.00 0.00 57.00 54.91 1u2j n GLN 448 Cb 0.03 -1.13 -0.08 0.00 -4.06 0.00 0.00 30.24 25.00 1u2j n GLN 448 CO 0.00 0.00 0.00 -0.44 -0.20 0.00 0.00 177.06 176.42 1u2j h ASP 449 N 0.00 -1.63 -0.52 1.69 5.19 -1.91 0.26 116.42 119.50 1u2j h ASP 449 Ca -0.11 0.21 0.10 0.00 -0.62 0.00 0.00 57.03 56.61 1u2j h ASP 449 Cb 1.12 0.66 -0.09 0.00 0.18 0.00 0.00 39.33 41.20 1u2j h ASP 449 CO 0.01 -0.44 -0.04 0.40 -3.12 0.00 0.00 179.24 176.04 1u2j h ILE 450 N -0.49 0.55 -0.36 0.35 1.08 -1.63 0.51 117.51 117.53 1u2j h ILE 450 Ca 0.07 -0.03 -0.15 0.00 -0.39 0.00 0.00 64.86 64.36 1u2j h ILE 450 Cb 0.64 0.47 -0.01 0.00 -3.07 0.00 0.00 36.82 34.85 1u2j h ILE 450 CO -0.49 0.01 -0.37 0.40 -0.69 0.00 0.00 178.15 177.01 1u2j h ILE 451 N 0.08 1.28 -0.51 -0.67 2.04 -1.56 0.49 117.51 118.65 1u2j h ILE 451 Ca 0.26 -1.55 -0.00 0.00 1.00 0.00 0.00 64.86 64.57 1u2j h ILE 451 Cb 0.41 1.40 -0.03 0.00 -0.74 0.00 0.00 36.82 37.86 1u2j h ILE 451 CO -0.47 0.51 0.30 0.44 0.00 0.00 0.00 178.15 178.93 1u2j h ASP 452 N 0.70 0.61 -0.20 1.72 3.32 -0.01 -2.36 116.42 120.20 1u2j h ASP 452 Ca 0.06 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.03 1u2j h ASP 452 Cb 0.94 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.33 1u2j h ASP 452 CO 0.09 0.47 -0.09 -0.07 -1.72 0.00 0.00 179.24 177.92 1u2j h LEU 453 N 0.70 0.42 -1.41 1.55 3.38 0.22 0.11 115.31 120.28 1u2j h LEU 453 Ca 0.18 -0.40 0.17 0.00 0.09 0.00 0.00 57.88 57.92 1u2j h LEU 453 Cb -0.02 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 40.55 1u2j h LEU 453 CO -0.03 0.73 0.57 0.11 0.09 0.00 0.00 178.44 179.90 1u2j h LYS 454 N 0.11 0.52 0.00 1.13 1.57 -0.01 0.15 116.57 120.04 1u2j h LYS 454 Ca 0.05 -0.03 -0.19 0.00 -1.87 0.00 0.00 60.65 58.60 1u2j h LYS 454 Cb 0.57 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.73 1u2j h LYS 454 CO 0.03 0.35 -0.99 0.35 -0.57 0.00 0.00 179.45 178.61 1u2j h PHE 455 N 0.54 0.00 -0.27 -1.35 3.57 -0.88 0.22 116.94 118.76 1u2j h PHE 455 Ca 0.44 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.89 1u2j h PHE 455 Cb 0.91 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.64 1u2j h PHE 455 CO -0.00 0.85 -0.03 0.00 -2.23 0.00 0.00 178.31 176.90 1u2j h ALA 456 N 1.15 0.37 -0.30 2.41 0.00 0.55 -2.59 119.26 120.87 1u2j h ALA 456 Ca -0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1u2j h ALA 456 Cb 1.69 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 1u2j h ALA 456 CO 0.10 0.15 0.16 0.82 0.00 0.00 0.00 179.25 180.48 1u2j h ILE 457 N 0.27 1.13 -0.27 0.00 2.04 -0.71 -2.60 117.51 117.38 1u2j h ILE 457 Ca 0.07 -0.36 0.08 0.00 1.00 0.00 0.00 64.86 65.65 1u2j h ILE 457 Cb 0.48 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 1u2j h ILE 457 CO 0.02 0.14 0.26 0.00 0.00 0.00 0.00 178.15 178.57 1u2j h ALA 458 N 1.03 1.99 -0.56 1.87 0.00 -0.97 -1.14 119.26 121.47 1u2j h ALA 458 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1u2j h ALA 458 Cb 0.08 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1u2j h ALA 458 CO -0.02 -0.41 0.00 -3.47 0.00 0.00 0.00 179.25 175.36 1u2j n ASP 459 N -3.93 3.91 0.09 0.00 2.03 -0.98 -4.59 116.55 113.09 1u2j n ASP 459 Ca 0.04 -2.21 0.13 0.00 0.52 0.00 0.00 54.79 53.26 1u2j n ASP 459 Cb 0.41 -0.45 0.32 0.00 -0.72 0.00 0.00 41.12 40.69 1u2j n ASP 459 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1u2j h SER 460 N 3.39 0.00 0.00 1.67 4.64 -0.84 -3.48 113.55 118.94 1u2j h SER 460 Ca 0.00 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1u2j h SER 460 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1u2j h SER 460 CO 0.09 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 176.69 1u2j n GLY 461 N 1.31 0.40 3.72 -0.77 0.00 -1.26 -5.05 105.19 103.54 1u2j n GLY 461 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 4.43 0.86 0.99 1.43 -1.26 -5.03 118.68 120.10 1u2j s LEU 462 Ca 0.00 1.77 -0.12 0.00 -1.03 0.00 0.00 54.13 54.75 1u2j s LEU 462 Cb 0.00 -3.58 0.11 0.00 0.03 0.00 0.00 46.19 42.75 1u2j s LEU 462 CO 0.00 -0.20 1.13 -0.94 0.23 0.00 0.00 176.35 176.57 1u2j s SER 463 N 0.56 3.94 0.17 2.29 1.04 -1.26 -4.77 113.70 115.66 1u2j s SER 463 Ca 0.50 1.03 -0.20 0.00 0.48 0.00 0.00 55.95 57.77 1u2j s SER 463 Cb -0.23 -1.64 0.09 0.00 0.10 0.00 0.00 66.02 64.33 1u2j s SER 463 CO 0.29 -2.29 1.63 0.58 0.98 0.00 0.00 173.24 174.44 1u2j h VAL 464 N -1.31 0.41 -0.01 5.02 2.07 -1.91 0.12 116.25 120.63 1u2j h VAL 464 Ca -0.49 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 66.98 1u2j h VAL 464 Cb 1.31 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 1u2j h VAL 464 CO 0.62 0.00 -0.24 0.77 0.02 0.00 0.00 177.57 178.74 1u2j h SER 465 N -0.15 0.02 0.41 0.57 4.64 -1.88 -0.31 113.55 116.85 1u2j h SER 465 Ca 0.19 -0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.29 1u2j h SER 465 Cb 0.44 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1u2j h SER 465 CO -0.47 0.26 -0.91 -0.33 -0.87 0.00 0.00 176.83 174.51 1u2j h GLU 466 N 0.02 0.35 -0.27 4.77 5.08 -1.56 -1.92 114.58 121.05 1u2j h GLU 466 Ca 0.00 -0.37 -0.05 0.00 -1.00 0.00 0.00 59.36 57.94 1u2j h GLU 466 Cb 0.44 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1u2j h GLU 466 CO 0.03 1.05 -0.04 -0.07 -1.00 0.00 0.00 179.01 178.99 1u2j h LEU 467 N 0.20 0.50 -0.17 1.33 3.38 -0.12 -2.63 115.31 117.80 1u2j h LEU 467 Ca -0.07 -0.35 -0.23 0.00 0.09 0.00 0.00 57.88 57.33 1u2j h LEU 467 Cb 1.55 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 42.17 1u2j h LEU 467 CO 0.15 0.73 -0.85 0.58 0.09 0.00 0.00 178.44 179.14 1u2j h VAL 468 N 0.26 1.31 -0.80 1.22 2.07 -1.14 -2.96 116.25 116.22 1u2j h VAL 468 Ca 0.07 -2.13 0.02 0.00 0.82 0.00 0.00 66.70 65.48 1u2j h VAL 468 Cb 0.50 2.15 -0.04 0.00 -1.52 0.00 0.00 31.29 32.37 1u2j h VAL 468 CO 0.02 0.66 0.52 0.28 0.02 0.00 0.00 177.57 179.08 1u2j h SER 469 N 0.42 0.89 0.62 0.57 0.02 -1.38 0.98 113.55 115.68 1u2j h SER 469 Ca -0.07 -0.02 -0.17 0.00 -0.84 0.00 0.00 61.79 60.70 1u2j h SER 469 Cb 1.48 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.79 1u2j h SER 469 CO 0.16 0.64 -0.76 1.62 -1.14 0.00 0.00 176.83 177.35 1u2j h VAL 470 N 1.05 1.49 0.01 2.27 3.04 -1.35 -0.63 116.25 122.14 1u2j h VAL 470 Ca 0.30 -2.46 -0.00 0.00 -1.01 0.00 0.00 66.70 63.54 1u2j h VAL 470 Cb -0.08 2.33 0.00 0.00 -2.01 0.00 0.00 31.29 31.53 1u2j h VAL 470 CO -0.08 0.71 -0.00 0.00 -1.01 0.00 0.00 177.57 177.18 1u2j h ALA 471 N 1.16 -0.01 -0.93 3.17 0.00 -1.40 -2.33 119.26 118.91 1u2j h ALA 471 Ca -0.02 -0.36 0.10 0.00 0.00 0.00 0.00 54.91 54.64 1u2j h ALA 471 Cb 1.33 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 19.06 1u2j h ALA 471 CO 0.11 -0.14 0.60 2.35 0.00 0.00 0.00 179.25 182.17 1u2j h TRP 472 N -0.75 1.01 0.00 0.00 2.91 -0.73 -1.18 115.95 117.21 1u2j h TRP 472 Ca -0.00 0.03 -0.09 0.00 1.13 0.00 0.00 58.89 59.96 1u2j h TRP 472 Cb 0.72 -0.33 -0.01 0.00 -0.51 0.00 0.00 29.16 29.03 1u2j h TRP 472 CO 0.18 0.45 -0.41 0.00 -1.03 0.00 0.00 178.44 177.63 1u2j h ALA 473 N 1.55 1.02 -0.34 2.65 0.00 -1.05 -2.10 119.26 120.98 1u2j h ALA 473 Ca 0.44 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1u2j h ALA 473 Cb 0.43 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1u2j h ALA 473 CO -0.20 0.51 -0.05 1.03 0.00 0.00 0.00 179.25 180.54 1u2j h SER 474 N 0.00 0.63 0.58 0.00 0.87 -0.67 -3.38 113.55 111.59 1u2j h SER 474 Ca -0.00 -0.34 -0.14 0.00 -1.23 0.00 0.00 61.79 60.08 1u2j h SER 474 Cb 0.90 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.67 1u2j h SER 474 CO 0.05 0.82 -1.53 0.00 -0.53 0.00 0.00 176.83 175.65 1u2j n ALA 475 N -2.41 2.10 1.45 6.23 0.00 -0.79 -3.19 120.51 123.91 1u2j n ALA 475 Ca -0.02 -0.57 0.10 0.00 0.00 0.00 0.00 53.44 52.95 1u2j n ALA 475 Cb 0.31 -0.87 0.42 0.00 0.00 0.00 0.00 19.45 19.30 1u2j n ALA 475 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1u2j n SER 476 N -2.75 1.19 -0.06 0.00 3.41 -0.81 -3.11 113.62 111.48 1u2j n SER 476 Ca -0.10 -1.63 0.16 0.00 -0.26 0.00 0.00 58.87 57.04 1u2j n SER 476 Cb 0.79 -0.08 0.88 0.00 -0.26 0.00 0.00 64.21 65.55 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 0.01 0.00 -1.99 6.66 -2.24 -1.26 -4.90 114.28 110.55 1u2j n THR 477 Ca 0.15 -0.03 -0.39 0.00 -2.27 0.00 0.00 64.05 61.51 1u2j n THR 477 Cb 0.25 -0.36 0.01 0.00 -2.10 0.00 0.00 70.33 68.13 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 -2.02 2.63 -0.21 4.78 5.36 -1.18 -4.01 117.98 123.33 1u2j s PHE 478 Ca 0.46 1.41 -0.02 0.00 -0.96 0.00 0.00 56.93 57.82 1u2j s PHE 478 Cb 0.22 -3.68 0.06 0.00 -0.34 0.00 0.00 43.02 39.29 1u2j s PHE 478 CO 0.37 -2.30 0.02 1.03 -1.46 0.00 0.00 175.22 172.88 1u2j s ARG 479 N -2.56 0.86 0.62 10.12 1.81 -0.75 -4.34 118.95 124.71 1u2j s ARG 479 Ca 0.63 -0.61 -0.18 0.00 -1.72 0.00 0.00 55.73 53.85 1u2j s ARG 479 Cb -0.37 -2.20 -0.04 0.00 -0.45 0.00 0.00 34.95 31.89 1u2j s ARG 479 CO 0.46 -0.67 1.06 0.41 -0.68 0.00 0.00 175.30 175.88 1u2j n GLY 480 N 4.95 -0.08 2.92 -3.53 0.00 -0.13 -1.57 105.19 107.75 1u2j n GLY 480 Ca -0.09 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 1.19 2.05 0.34 -0.02 0.00 -1.26 -4.19 105.19 103.30 1u2j n GLY 481 Ca 0.14 -0.27 0.21 0.00 0.00 0.00 0.00 46.02 46.11 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 -6.79 1.61 3.32 -2.01 -3.48 116.42 109.08 1u2j h ASP 482 Ca 0.00 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.57 1u2j h ASP 482 Cb 0.00 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 39.44 1u2j h ASP 482 CO 0.00 0.00 -0.77 0.29 -1.72 0.00 0.00 179.24 177.04 1u2j n LYS 483 N -3.06 -0.75 -4.19 3.56 4.01 -0.61 -4.75 118.16 112.38 1u2j n LYS 483 Ca -0.03 0.02 -0.22 0.00 -0.51 0.00 0.00 58.31 57.57 1u2j n LYS 483 Cb 0.13 -2.40 -0.06 0.00 -0.51 0.00 0.00 35.03 32.19 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 -6.61 2.58 0.99 1.97 0.52 -1.21 -4.95 118.95 112.23 1u2j s ARG 484 Ca 0.14 -1.27 0.00 0.00 -0.52 0.00 0.00 55.73 54.07 1u2j s ARG 484 Cb -0.08 -2.34 0.00 0.00 0.52 0.00 0.00 34.95 33.05 1u2j s ARG 484 CO 0.77 0.35 0.00 0.41 0.02 0.00 0.00 175.30 176.85 1u2j n GLY 485 N -1.05 -2.07 0.00 -3.53 0.00 -1.26 -1.80 105.19 95.47 1u2j n GLY 485 Ca -0.07 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.54 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 -0.06 0.71 0.17 -0.02 0.00 -1.26 -4.60 105.19 100.14 1u2j n GLY 486 Ca 0.00 -2.17 0.12 0.00 0.00 0.00 0.00 46.02 43.97 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 0.87 -2.60 4.61 0.00 -1.74 -3.42 119.26 116.98 1u2j h ALA 487 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 1u2j h ALA 487 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 17.79 17.83 1u2j h ALA 487 CO 0.00 0.00 0.78 1.21 0.00 0.00 0.00 179.25 181.24 1u2j s ASN 488 N -5.70 6.72 0.00 0.00 3.84 -1.26 -2.68 114.94 115.85 1u2j s ASN 488 Ca 0.06 2.48 0.00 0.00 0.21 0.00 0.00 52.86 55.61 1u2j s ASN 488 Cb 0.07 -2.60 0.00 0.00 -0.55 0.00 0.00 41.25 38.18 1u2j s ASN 488 CO 0.69 -0.71 0.00 0.61 -2.79 0.00 0.00 177.10 174.90 1u2j n GLY 489 N 3.34 1.21 4.16 1.21 0.00 0.35 -4.55 105.19 110.91 1u2j n GLY 489 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.23 -1.82 1.24 4.61 0.00 -1.09 -0.80 120.51 121.41 1u2j n ALA 490 Ca 0.00 -0.27 0.14 0.00 0.00 0.00 0.00 53.44 53.31 1u2j n ALA 490 Cb 0.00 -1.68 0.69 0.00 0.00 0.00 0.00 19.45 18.46 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 -4.43 0.28 -0.30 0.00 1.74 -1.26 -1.74 116.66 110.95 1u2j n ARG 491 Ca -0.22 0.01 0.16 0.00 -0.77 0.00 0.00 57.85 57.03 1u2j n ARG 491 Cb 0.64 -1.50 0.41 0.00 -1.02 0.00 0.00 32.46 30.99 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 0.61 0.00 0.55 5.85 -1.88 0.14 115.31 120.57 1u2j h LEU 492 Ca 0.00 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1u2j h LEU 492 Cb 0.34 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.33 1u2j h LEU 492 CO 0.00 0.23 0.00 0.00 -0.34 0.00 0.00 178.44 178.33 1u2j n ALA 493 N -2.42 2.40 -2.40 1.25 0.00 -0.71 -3.18 120.51 115.44 1u2j n ALA 493 Ca 0.21 -0.13 -0.26 0.00 0.00 0.00 0.00 53.44 53.26 1u2j n ALA 493 Cb 0.63 -1.46 -0.02 0.00 0.00 0.00 0.00 19.45 18.61 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 -2.56 2.77 0.12 0.00 1.43 0.48 -4.86 118.68 116.06 1u2j s LEU 494 Ca 0.27 -1.21 -0.15 0.00 -1.03 0.00 0.00 54.13 52.00 1u2j s LEU 494 Cb 0.19 -1.26 -0.07 0.00 0.03 0.00 0.00 46.19 45.08 1u2j s LEU 494 CO 0.43 -1.01 0.54 -0.04 0.23 0.00 0.00 176.35 176.50 1u2j s MET 495 N -4.22 4.02 0.08 1.70 -1.94 -1.26 -0.87 119.30 116.81 1u2j s MET 495 Ca 0.34 0.54 0.23 0.00 -1.71 0.00 0.00 55.69 55.09 1u2j s MET 495 Cb -0.02 -3.02 0.12 0.00 2.01 0.00 0.00 34.83 33.93 1u2j s MET 495 CO 0.21 0.53 1.10 -0.35 -0.01 0.00 0.00 175.02 176.50 1u2j n PRO 496 N 1.07 0.32 -0.33 2.03 -0.04 -1.26 -4.77 135.00 132.02 1u2j n PRO 496 Ca -0.07 0.03 0.25 0.00 -0.04 0.00 0.00 63.50 63.66 1u2j n PRO 496 Cb 0.52 -1.64 0.54 0.00 -0.04 0.00 0.00 33.50 32.88 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 0.33 0.00 0.54 4.20 -1.72 -0.01 115.11 118.45 1u2j h GLN 497 Ca 0.00 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 1u2j h GLN 497 Cb 0.76 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.47 1u2j h GLN 497 CO 0.00 0.22 -0.01 -0.09 -0.67 0.00 0.00 178.83 178.27 1u2j h ARG 498 N 0.34 0.00 -0.01 1.46 2.43 -0.96 -1.40 114.38 116.24 1u2j h ARG 498 Ca 0.60 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.77 1u2j h ARG 498 Cb 1.63 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.18 1u2j h ARG 498 CO -0.27 0.01 -0.70 -0.25 -1.51 0.00 0.00 179.97 177.25 1u2j n ASP 499 N -3.22 1.51 -4.71 -3.80 8.00 -0.02 -4.84 116.55 109.47 1u2j n ASP 499 Ca -0.02 -1.26 -0.43 0.00 0.71 0.00 0.00 54.79 53.79 1u2j n ASP 499 Cb 0.13 0.72 -0.02 0.00 -0.02 0.00 0.00 41.12 41.94 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 -0.71 2.48 -0.23 1.24 8.01 -0.53 -4.90 117.44 122.80 1u2j n TRP 500 Ca 0.07 0.40 0.03 0.00 -1.31 0.00 0.00 57.50 56.68 1u2j n TRP 500 Cb 0.39 -2.50 0.15 0.00 -2.01 0.00 0.00 31.31 27.33 1u2j n TRP 500 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.69 176.24 1u2j h ASP 501 N 3.99 0.10 -0.96 -0.99 3.45 -1.94 -0.44 116.42 119.63 1u2j h ASP 501 Ca -0.46 0.12 0.24 0.00 0.43 0.00 0.00 57.03 57.36 1u2j h ASP 501 Cb 1.26 0.14 -0.07 0.00 -0.56 0.00 0.00 39.33 40.10 1u2j h ASP 501 CO 0.73 0.04 0.65 0.58 -1.57 0.00 0.00 179.24 179.67 1u2j h VAL 502 N 0.32 0.59 -0.04 -1.35 2.07 -1.93 -2.17 116.25 113.74 1u2j h VAL 502 Ca 0.36 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.78 1u2j h VAL 502 Cb 0.55 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 1u2j h VAL 502 CO -0.42 0.05 0.00 0.59 0.02 0.00 0.00 177.57 177.82 1u2j n ASN 503 N -4.47 2.65 -0.24 0.57 3.02 -0.19 -4.59 115.26 112.00 1u2j n ASN 503 Ca 0.21 -1.88 0.02 0.00 -0.03 0.00 0.00 54.58 52.90 1u2j n ASN 503 Cb 0.84 -0.01 0.25 0.00 -0.61 0.00 0.00 39.78 40.25 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 4.61 1.49 0.12 5.41 0.00 -1.17 -1.17 119.26 128.55 1u2j h ALA 504 Ca 0.00 -0.04 -0.24 0.00 0.00 0.00 0.00 54.91 54.63 1u2j h ALA 504 Cb 0.87 -0.29 0.03 0.00 0.00 0.00 0.00 17.79 18.40 1u2j h ALA 504 CO 0.00 0.44 -1.01 0.00 0.00 0.00 0.00 179.25 178.68 1u2j h ALA 505 N 1.53 -0.04 -0.76 0.00 0.00 -1.81 -3.31 119.26 114.86 1u2j h ALA 505 Ca 0.31 -0.72 0.12 0.00 0.00 0.00 0.00 54.91 54.62 1u2j h ALA 505 Cb -0.01 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 1u2j h ALA 505 CO -0.08 0.52 0.50 0.00 0.00 0.00 0.00 179.25 180.19 1u2j h ALA 506 N 0.21 1.93 0.00 0.00 0.00 -1.70 -2.37 119.26 117.34 1u2j h ALA 506 Ca -0.16 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1u2j h ALA 506 Cb 1.74 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.42 1u2j h ALA 506 CO 0.19 -0.12 0.00 0.28 0.00 0.00 0.00 179.25 179.61 1u2j n VAL 507 N -4.50 0.29 0.25 0.00 0.31 -0.49 -2.29 118.33 111.90 1u2j n VAL 507 Ca 0.14 0.02 0.15 0.00 -0.01 0.00 0.00 64.34 64.63 1u2j n VAL 507 Cb 0.42 -0.63 0.55 0.00 -0.91 0.00 0.00 33.84 33.28 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 -1.55 -2.45 114.38 119.01 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 0.48 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.53 1u2j h ARG 508 CO 0.00 0.06 0.00 0.00 -1.07 0.00 0.00 179.97 178.96 1u2j n ALA 509 N -2.12 1.94 -0.04 0.04 0.00 -0.97 -4.29 120.51 115.06 1u2j n ALA 509 Ca 0.01 0.04 -0.11 0.00 0.00 0.00 0.00 53.44 53.37 1u2j n ALA 509 Cb 0.37 -1.42 0.02 0.00 0.00 0.00 0.00 19.45 18.42 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 0.78 -0.52 0.00 3.38 -1.64 -2.65 115.31 114.66 1u2j h LEU 510 Ca 0.00 -0.39 0.10 0.00 0.09 0.00 0.00 57.88 57.68 1u2j h LEU 510 Cb 0.53 -0.22 -0.08 0.00 0.09 0.00 0.00 40.66 40.97 1u2j h LEU 510 CO 0.00 1.14 0.01 -0.65 0.09 0.00 0.00 178.44 179.03 1u2j h PRO 511 N 0.55 0.13 -0.48 1.13 0.11 -1.80 0.41 132.00 132.06 1u2j h PRO 511 Ca 0.02 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.06 1u2j h PRO 511 Cb 1.06 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 1u2j h PRO 511 CO 0.10 0.08 0.06 0.28 -0.21 0.00 0.00 178.00 178.32 1u2j h VAL 512 N 0.13 1.25 -0.12 3.15 2.07 -1.80 -0.77 116.25 120.17 1u2j h VAL 512 Ca 0.27 -0.95 -0.21 0.00 0.82 0.00 0.00 66.70 66.62 1u2j h VAL 512 Cb 0.40 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 1u2j h VAL 512 CO -0.43 0.34 -0.77 -0.07 0.02 0.00 0.00 177.57 176.66 1u2j h LEU 513 N 0.67 0.76 -0.04 2.57 3.38 -1.04 -1.49 115.31 120.11 1u2j h LEU 513 Ca 0.14 -0.50 0.03 0.00 0.09 0.00 0.00 57.88 57.64 1u2j h LEU 513 Cb 0.42 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1u2j h LEU 513 CO 0.01 1.28 -0.12 -0.08 0.09 0.00 0.00 178.44 179.62 1u2j h GLU 514 N 0.43 -0.18 -0.89 1.13 4.81 -0.16 0.18 114.58 119.91 1u2j h GLU 514 Ca -0.05 0.01 0.13 0.00 -0.13 0.00 0.00 59.36 59.33 1u2j h GLU 514 Cb 1.38 0.04 -0.07 0.00 0.63 0.00 0.00 28.75 30.73 1u2j h GLU 514 CO 0.15 -0.12 0.57 -0.22 -0.73 0.00 0.00 179.01 178.66 1u2j h LYS 515 N -0.18 0.71 -0.05 1.92 3.64 -0.88 -1.19 116.57 120.54 1u2j h LYS 515 Ca 0.06 -0.04 -0.22 0.00 -1.27 0.00 0.00 60.65 59.17 1u2j h LYS 515 Cb 0.26 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1u2j h LYS 515 CO -0.15 0.47 -0.88 0.82 -2.27 0.00 0.00 179.45 177.44 1u2j h ILE 516 N 0.73 1.35 -0.30 2.00 2.04 -0.59 -2.46 117.51 120.29 1u2j h ILE 516 Ca 0.44 -2.26 -0.11 0.00 1.00 0.00 0.00 64.86 63.93 1u2j h ILE 516 Cb 0.65 2.26 -0.01 0.00 -0.74 0.00 0.00 36.82 38.98 1u2j h ILE 516 CO -0.20 0.69 -0.27 0.06 0.00 0.00 0.00 178.15 178.42 1u2j h GLN 517 N 0.32 0.60 -0.09 2.37 -0.00 0.11 -1.96 115.11 116.46 1u2j h GLN 517 Ca -0.07 -0.25 -0.14 0.00 -0.00 0.00 0.00 58.65 58.19 1u2j h GLN 517 Cb 1.50 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.48 28.94 1u2j h GLN 517 CO 0.16 0.82 -0.54 0.87 -0.00 0.00 0.00 178.83 180.13 1u2j h LYS 518 N 0.52 0.26 0.00 0.06 1.57 -1.23 0.23 116.57 117.99 1u2j h LYS 518 Ca 0.07 -0.16 -0.12 0.00 -1.87 0.00 0.00 60.65 58.57 1u2j h LYS 518 Cb 0.74 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.05 1u2j h LYS 518 CO 0.06 0.74 -0.90 0.93 -0.57 0.00 0.00 179.45 179.71 1u2j h GLU 519 N 0.20 0.00 0.00 3.15 5.08 -1.35 -3.34 114.58 118.32 1u2j h GLU 519 Ca 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1u2j h GLU 519 Cb 1.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 1u2j h GLU 519 CO 0.09 0.37 -0.25 1.03 -1.00 0.00 0.00 179.01 179.25 1u2j h SER 520 N 0.00 0.00 -0.30 1.42 0.87 -1.29 -3.47 113.55 110.77 1u2j h SER 520 Ca -0.07 -0.65 -0.13 0.00 -1.23 0.00 0.00 61.79 59.71 1u2j h SER 520 Cb 1.43 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.34 1u2j h SER 520 CO 0.05 0.97 -0.12 0.61 -0.53 0.00 0.00 176.83 177.81 1u2j n GLY 521 N 1.62 0.77 0.00 5.77 0.00 0.06 -4.80 105.19 108.61 1u2j n GLY 521 Ca -0.12 -0.18 0.10 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.45 0.53 -3.60 1.61 4.01 -1.26 -5.00 118.16 113.00 1u2j n LYS 522 Ca -0.06 -0.05 -0.10 0.00 -0.51 0.00 0.00 58.31 57.58 1u2j n LYS 522 Cb 0.38 -1.44 -0.03 0.00 -0.51 0.00 0.00 35.03 33.43 1u2j n LYS 522 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1u2j s ALA 523 N -3.00 -1.25 0.51 7.82 0.00 -1.26 -3.36 121.76 121.21 1u2j s ALA 523 Ca 0.04 0.10 -0.19 0.00 0.00 0.00 0.00 51.96 51.90 1u2j s ALA 523 Cb 0.14 0.84 -0.08 0.00 0.00 0.00 0.00 23.12 24.03 1u2j s ALA 523 CO 0.82 -0.79 1.03 -1.54 0.00 0.00 0.00 175.76 175.28 1u2j s SER 524 N -2.82 6.28 0.31 0.00 1.04 -1.26 -4.87 113.70 112.38 1u2j s SER 524 Ca 0.05 1.87 0.07 0.00 0.48 0.00 0.00 55.95 58.41 1u2j s SER 524 Cb -0.01 -2.55 0.86 0.00 0.10 0.00 0.00 66.02 64.42 1u2j s SER 524 CO -0.07 -0.83 1.63 0.25 0.98 0.00 0.00 173.24 175.20 1u2j h LEU 525 N 1.30 0.08 -0.01 2.42 5.85 -1.93 -1.80 115.31 121.22 1u2j h LEU 525 Ca -0.49 0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.45 1u2j h LEU 525 Cb 1.22 0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.51 1u2j h LEU 525 CO 0.59 -0.21 -0.03 0.00 -0.34 0.00 0.00 178.44 178.46 1u2j h ALA 526 N 1.85 -0.02 0.00 1.25 0.00 -1.86 0.20 119.26 120.68 1u2j h ALA 526 Ca 0.63 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.53 1u2j h ALA 526 Cb 1.36 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 1u2j h ALA 526 CO -0.69 -0.52 -0.08 -0.44 0.00 0.00 0.00 179.25 177.52 1u2j h ASP 527 N -0.04 0.00 0.38 0.00 3.32 -1.58 -3.05 116.42 115.45 1u2j h ASP 527 Ca 0.02 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.77 1u2j h ASP 527 Cb 0.07 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.56 1u2j h ASP 527 CO -0.04 0.08 -1.86 -0.38 -1.72 0.00 0.00 179.24 175.32 1u2j n ILE 528 N -3.75 1.52 -0.20 0.35 5.41 -0.66 -1.61 119.36 120.42 1u2j n ILE 528 Ca -0.02 -0.80 0.03 0.00 1.00 0.00 0.00 62.75 62.95 1u2j n ILE 528 Cb 0.18 -0.87 0.29 0.00 -0.71 0.00 0.00 39.64 38.53 1u2j n ILE 528 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 1u2j h ILE 529 N 0.00 1.12 0.00 1.39 2.04 -0.54 -1.40 117.51 120.13 1u2j h ILE 529 Ca -0.34 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.21 1u2j h ILE 529 Cb 2.04 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 38.25 1u2j h ILE 529 CO 0.06 0.17 -0.00 0.58 0.00 0.00 0.00 178.15 178.96 1u2j h VAL 530 N 0.91 1.09 -1.11 1.67 2.07 -1.57 -3.08 116.25 116.22 1u2j h VAL 530 Ca 0.29 -1.82 0.35 0.00 0.82 0.00 0.00 66.70 66.34 1u2j h VAL 530 Cb 0.02 2.06 -0.13 0.00 -1.52 0.00 0.00 31.29 31.73 1u2j h VAL 530 CO -0.08 0.37 0.68 0.25 0.02 0.00 0.00 177.57 178.82 1u2j h LEU 531 N -1.00 0.41 -0.47 2.57 5.85 -1.36 0.17 115.31 121.48 1u2j h LEU 531 Ca -0.00 0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.88 1u2j h LEU 531 Cb 0.61 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.72 1u2j h LEU 531 CO 0.00 -0.10 0.30 0.00 -0.34 0.00 0.00 178.44 178.30 1u2j h ALA 532 N 1.72 0.60 -0.71 1.25 0.00 -1.21 0.40 119.26 121.31 1u2j h ALA 532 Ca 0.73 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.70 1u2j h ALA 532 Cb 1.93 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 19.50 1u2j h ALA 532 CO -0.47 0.02 0.46 0.78 0.00 0.00 0.00 179.25 180.04 1u2j h GLY 533 N 0.61 0.87 1.18 0.00 0.00 -0.63 -1.42 103.07 103.69 1u2j h GLY 533 Ca 0.18 -0.26 -0.17 0.00 0.00 0.00 0.00 47.33 47.08 1u2j h GLY 533 CO -0.05 0.17 -0.46 -2.08 0.00 0.00 0.00 176.54 174.12 1u2j h VAL 534 N 0.64 1.28 0.00 4.60 2.07 -0.08 -0.80 116.25 123.95 1u2j h VAL 534 Ca 0.32 -1.64 -0.07 0.00 0.82 0.00 0.00 66.70 66.13 1u2j h VAL 534 Cb 0.40 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 1u2j h VAL 534 CO -0.11 0.54 -0.34 0.58 0.02 0.00 0.00 177.57 178.26 1u2j h VAL 535 N 0.70 0.97 0.11 2.57 2.07 -0.48 -2.66 116.25 119.52 1u2j h VAL 535 Ca 0.04 -1.30 -0.19 0.00 0.82 0.00 0.00 66.70 66.06 1u2j h VAL 535 Cb 1.05 1.77 0.02 0.00 -1.52 0.00 0.00 31.29 32.61 1u2j h VAL 535 CO 0.11 0.33 -0.83 1.23 0.02 0.00 0.00 177.57 178.43 1u2j h GLY 536 N 1.56 0.42 1.01 2.17 0.00 -0.50 -2.22 103.07 105.51 1u2j h GLY 536 Ca -0.00 -0.95 -0.06 0.00 0.00 0.00 0.00 47.33 46.32 1u2j h GLY 536 CO 0.04 0.83 0.11 -2.08 0.00 0.00 0.00 176.54 175.44 1u2j h VAL 537 N -0.22 1.25 -0.17 4.60 2.07 -1.19 -0.86 116.25 121.73 1u2j h VAL 537 Ca -0.13 -0.94 -0.14 0.00 0.82 0.00 0.00 66.70 66.31 1u2j h VAL 537 Cb 1.60 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 1u2j h VAL 537 CO 0.16 0.35 -0.47 -0.33 0.02 0.00 0.00 177.57 177.29 1u2j h GLU 538 N 0.83 0.45 -0.25 1.57 5.08 -1.51 0.33 114.58 121.06 1u2j h GLU 538 Ca 0.17 -0.25 -0.19 0.00 -1.00 0.00 0.00 59.36 58.09 1u2j h GLU 538 Cb 0.39 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1u2j h GLU 538 CO 0.01 0.83 -0.60 -0.22 -1.00 0.00 0.00 179.01 178.03 1u2j h LYS 539 N 0.36 0.84 -0.19 2.33 3.64 -1.32 -2.27 116.57 119.96 1u2j h LYS 539 Ca 0.02 -0.56 0.04 0.00 -1.27 0.00 0.00 60.65 58.88 1u2j h LYS 539 Cb 0.96 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.82 1u2j h LYS 539 CO 0.08 1.19 -0.09 0.00 -2.27 0.00 0.00 179.45 178.36 1u2j h ALA 540 N 0.68 0.07 0.00 5.00 0.00 -0.92 -3.02 119.26 121.07 1u2j h ALA 540 Ca -0.00 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1u2j h ALA 540 Cb 1.21 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.22 1u2j h ALA 540 CO 0.13 -0.52 -0.03 0.00 0.00 0.00 0.00 179.25 178.82 1u2j h ALA 541 N 1.09 1.01 -0.01 0.00 0.00 -0.71 -2.11 119.26 118.54 1u2j h ALA 541 Ca 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1u2j h ALA 541 Cb 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1u2j h ALA 541 CO -0.24 0.04 -0.34 0.43 0.00 0.00 0.00 179.25 179.15 1u2j n SER 542 N -3.15 1.42 -0.04 0.00 7.64 -0.87 0.13 113.62 118.76 1u2j n SER 542 Ca 0.00 -1.14 -0.11 0.00 1.01 0.00 0.00 58.87 58.63 1u2j n SER 542 Cb 0.31 0.26 -0.14 0.00 -1.01 0.00 0.00 64.21 63.63 1u2j n SER 542 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1u2j n ALA 543 N -0.39 1.39 0.59 -0.43 0.00 -0.83 -3.54 120.51 117.30 1u2j n ALA 543 Ca 0.11 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.70 1u2j n ALA 543 Cb 0.39 -0.68 0.00 0.00 0.00 0.00 0.00 19.45 19.17 1u2j n ALA 543 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u2j n ALA 544 N -2.69 1.98 -2.49 0.00 0.00 -0.95 -4.74 120.51 111.61 1u2j n ALA 544 Ca -0.23 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.18 1u2j n ALA 544 Cb 1.07 -1.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.52 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 0.42 -0.50 3.97 0.00 0.00 -1.23 -4.94 105.19 102.91 1u2j n GLY 545 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1u2j n GLY 545 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1u2j s LEU 546 N -5.12 4.01 -0.38 0.99 0.20 0.36 -4.96 118.68 113.78 1u2j s LEU 546 Ca 0.00 -0.16 0.02 0.00 0.69 0.00 0.00 54.13 54.68 1u2j s LEU 546 Cb -0.00 -2.71 0.15 0.00 -0.43 0.00 0.00 46.19 43.20 1u2j s LEU 546 CO 0.00 -0.34 0.32 -0.55 -0.29 0.00 0.00 176.35 175.50 1u2j s SER 547 N -4.11 1.78 0.24 3.68 0.15 -1.26 -2.53 113.70 111.65 1u2j s SER 547 Ca 0.42 -2.19 0.07 0.00 0.70 0.00 0.00 55.95 54.95 1u2j s SER 547 Cb -0.09 0.02 -0.04 0.00 -1.71 0.00 0.00 66.02 64.21 1u2j s SER 547 CO 0.30 -0.25 0.18 -0.63 1.20 0.00 0.00 173.24 174.05 1u2j s ILE 548 N 0.93 4.43 -0.16 6.45 1.09 -1.26 -5.10 121.20 127.58 1u2j s ILE 548 Ca 0.22 -1.37 -0.05 0.00 -1.10 0.00 0.00 60.65 58.35 1u2j s ILE 548 Cb -0.13 -3.38 -0.03 0.00 -1.06 0.00 0.00 42.46 37.86 1u2j s ILE 548 CO -0.05 -0.32 -0.00 -2.28 -0.10 0.00 0.00 174.94 172.19 1u2j s HIS 549 N -2.09 3.12 -0.47 3.97 5.65 -1.26 -4.89 115.29 119.32 1u2j s HIS 549 Ca 0.33 -0.12 -0.21 0.00 0.25 0.00 0.00 55.06 55.31 1u2j s HIS 549 Cb -0.08 -1.98 0.04 0.00 -1.18 0.00 0.00 32.58 29.38 1u2j s HIS 549 CO 0.25 0.09 0.69 0.08 -0.65 0.00 0.00 174.74 175.19 1u2j s VAL 550 N 0.22 4.76 0.10 0.89 1.01 -1.26 -5.01 120.40 121.12 1u2j s VAL 550 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 61.98 61.63 1u2j s VAL 550 Cb -0.13 -4.28 -0.15 0.00 0.00 0.00 0.00 36.38 31.81 1u2j s VAL 550 CO 0.02 -0.73 1.50 -0.81 0.00 0.00 0.00 175.10 175.07 1u2j n PRO 551 N 6.44 1.70 -4.62 2.72 -0.04 -1.26 -4.98 135.00 134.95 1u2j n PRO 551 Ca -0.02 0.61 -0.25 0.00 -0.04 0.00 0.00 63.50 63.80 1u2j n PRO 551 Cb 0.47 -2.33 -0.14 0.00 -0.04 0.00 0.00 33.50 31.46 1u2j n PRO 551 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1u2j s PHE 552 N 0.96 1.81 -0.27 0.54 5.36 -1.26 -4.93 117.98 120.19 1u2j s PHE 552 Ca 0.82 -0.38 0.02 0.00 -0.96 0.00 0.00 56.93 56.44 1u2j s PHE 552 Cb -0.81 -1.07 0.07 0.00 -0.34 0.00 0.00 43.02 40.87 1u2j s PHE 552 CO 0.43 0.10 -0.03 0.00 -1.46 0.00 0.00 175.22 174.26 1u2j s ALA 553 N -0.82 2.30 0.78 11.12 0.00 -1.26 -5.13 121.76 128.75 1u2j s ALA 553 Ca 0.07 -1.77 -0.11 0.00 0.00 0.00 0.00 51.96 50.14 1u2j s ALA 553 Cb -0.09 -1.62 0.07 0.00 0.00 0.00 0.00 23.12 21.48 1u2j s ALA 553 CO 0.02 -1.36 1.12 -2.14 0.00 0.00 0.00 175.76 173.39 1u2j s PRO 554 N 1.22 2.04 0.00 0.00 0.02 -1.26 -4.72 135.00 132.31 1u2j s PRO 554 Ca -0.01 1.34 0.00 0.00 0.02 0.00 0.00 61.00 62.35 1u2j s PRO 554 Cb -0.19 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.47 1u2j s PRO 554 CO -0.08 -1.83 0.00 0.41 -0.33 0.00 0.00 177.00 175.17 1u2j n GLY 555 N -0.64 0.67 3.66 0.52 0.00 -1.26 -5.13 105.19 103.01 1u2j n GLY 555 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 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 0.99 -4.38 1.61 1.74 -1.26 -4.92 116.66 110.44 1u2j n ARG 556 Ca 0.00 0.39 -0.25 0.00 -0.77 0.00 0.00 57.85 57.21 1u2j n ARG 556 Cb 0.00 -2.33 -0.09 0.00 -1.02 0.00 0.00 32.46 29.02 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 -1.46 2.41 -0.23 1.55 -7.23 -1.26 -4.41 120.40 109.78 1u2j s VAL 557 Ca 0.79 -1.96 -0.16 0.00 -1.81 0.00 0.00 61.98 58.84 1u2j s VAL 557 Cb -0.40 -2.85 -0.04 0.00 0.56 0.00 0.00 36.38 33.66 1u2j s VAL 557 CO 0.44 -0.13 0.41 -1.81 -0.31 0.00 0.00 175.10 173.70 1u2j s ASP 558 N -3.73 6.38 0.63 4.85 1.01 -1.26 -0.50 116.67 124.05 1u2j s ASP 558 Ca 0.36 0.45 -0.12 0.00 0.71 0.00 0.00 52.55 53.94 1u2j s ASP 558 Cb 0.03 -2.23 -0.02 0.00 1.01 0.00 0.00 42.92 41.70 1u2j s ASP 558 CO 0.19 -0.15 1.04 0.00 0.21 0.00 0.00 175.17 176.46 1u2j s ALA 559 N 1.74 2.87 0.35 5.23 0.00 0.02 -4.70 121.76 127.26 1u2j s ALA 559 Ca 0.18 0.09 0.05 0.00 0.00 0.00 0.00 51.96 52.28 1u2j s ALA 559 Cb -0.15 -3.15 -0.01 0.00 0.00 0.00 0.00 23.12 19.81 1u2j s ALA 559 CO 0.09 -0.87 0.51 1.03 0.00 0.00 0.00 175.76 176.52 1u2j s ARG 560 N -4.81 3.13 0.56 0.00 0.52 -1.26 -4.94 118.95 112.15 1u2j s ARG 560 Ca 0.58 -0.86 0.24 0.00 -0.52 0.00 0.00 55.73 55.17 1u2j s ARG 560 Cb -0.13 -2.76 1.60 0.00 0.52 0.00 0.00 34.95 34.17 1u2j s ARG 560 CO 0.49 0.01 2.21 0.37 0.02 0.00 0.00 175.30 178.40 1u2j h GLN 561 N 0.80 0.00 0.00 3.54 5.75 -1.95 -1.20 115.11 122.04 1u2j h GLN 561 Ca -0.46 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.04 1u2j h GLN 561 Cb 1.25 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.80 1u2j h GLN 561 CO 0.54 0.00 0.00 -0.40 -2.65 0.00 0.00 178.83 176.33 1u2j n ASP 562 N -4.13 0.04 -0.90 -0.69 5.75 -1.26 -1.64 116.55 113.72 1u2j n ASP 562 Ca -0.03 0.51 0.05 0.00 -0.01 0.00 0.00 54.79 55.31 1u2j n ASP 562 Cb 0.09 -0.52 0.23 0.00 -1.03 0.00 0.00 41.12 39.89 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 -1.54 2.52 -3.31 0.11 6.02 -0.46 -4.75 117.38 115.98 1u2j n GLN 563 Ca 0.05 -2.90 -0.25 0.00 -0.01 0.00 0.00 57.00 53.89 1u2j n GLN 563 Cb 0.26 -1.81 -0.09 0.00 1.02 0.00 0.00 30.24 29.62 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 -0.74 -1.04 -1.90 5.09 -1.04 -0.65 -4.10 114.28 109.88 1u2j n THR 564 Ca 0.24 -3.32 -0.42 0.00 -2.04 0.00 0.00 64.05 58.51 1u2j n THR 564 Cb 0.91 -1.47 -0.03 0.00 -1.82 0.00 0.00 70.33 67.93 1u2j n THR 564 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1u2j s ASP 565 N -0.11 6.57 0.03 8.00 -1.08 -1.26 -4.84 116.67 123.99 1u2j s ASP 565 Ca 0.33 2.59 -0.25 0.00 -0.52 0.00 0.00 52.55 54.69 1u2j s ASP 565 Cb 0.06 -2.58 -0.17 0.00 -1.46 0.00 0.00 42.92 38.77 1u2j s ASP 565 CO -0.18 -0.87 1.45 0.40 0.52 0.00 0.00 175.17 176.49 1u2j h ILE 566 N 4.39 0.95 -0.91 4.11 1.08 -1.88 -2.63 117.51 122.62 1u2j h ILE 566 Ca -0.43 -0.48 0.03 0.00 -0.39 0.00 0.00 64.86 63.58 1u2j h ILE 566 Cb 1.20 1.25 -0.05 0.00 -3.07 0.00 0.00 36.82 36.15 1u2j h ILE 566 CO 0.93 0.11 0.60 -0.33 -0.69 0.00 0.00 178.15 178.76 1u2j h GLU 567 N -0.44 1.14 0.00 2.37 5.08 -1.98 -0.14 114.58 120.61 1u2j h GLU 567 Ca -0.02 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1u2j h GLU 567 Cb 0.35 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1u2j h GLU 567 CO 0.04 0.76 0.00 0.52 -1.00 0.00 0.00 179.01 179.32 1u2j h MET 568 N 1.18 0.00 0.00 2.33 2.86 -1.95 -2.73 114.93 116.61 1u2j h MET 568 Ca 0.35 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.99 1u2j h MET 568 Cb -0.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.61 1u2j h MET 568 CO -0.10 0.00 -0.95 1.19 1.06 0.00 0.00 176.91 178.10 1u2j n PHE 569 N -3.02 0.27 -0.29 -0.22 3.72 -0.95 -3.70 117.46 113.28 1u2j n PHE 569 Ca 0.03 0.08 -0.05 0.00 -0.05 0.00 0.00 57.45 57.46 1u2j n PHE 569 Cb 0.43 -0.43 0.07 0.00 -0.94 0.00 0.00 39.48 38.60 1u2j n PHE 569 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1u2j h GLU 570 N 0.00 1.07 -0.00 -1.08 5.08 -0.72 -1.64 114.58 117.29 1u2j h GLU 570 Ca 0.00 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1u2j h GLU 570 Cb 0.71 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 1u2j h GLU 570 CO 0.00 0.75 0.08 -0.07 -1.00 0.00 0.00 179.01 178.78 1u2j h LEU 571 N 1.08 0.00 0.00 1.33 3.38 -1.62 -1.03 115.31 118.45 1u2j h LEU 571 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1u2j h LEU 571 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1u2j h LEU 571 CO -0.05 0.00 -0.77 0.18 0.09 0.00 0.00 178.44 177.89 1u2j n LEU 572 N -3.05 0.65 -4.67 1.67 4.77 -0.62 -4.87 117.00 110.88 1u2j n LEU 572 Ca -0.03 -0.11 -0.47 0.00 -0.03 0.00 0.00 56.01 55.37 1u2j n LEU 572 Cb 0.15 -0.15 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 1u2j n LEU 572 CO 0.19 0.12 1.26 1.21 -1.33 0.00 0.00 177.39 178.84 1u2j n GLU 573 N -1.65 2.10 -2.64 3.23 2.13 -0.39 -4.84 120.64 118.58 1u2j n GLU 573 Ca 0.04 0.76 -0.34 0.00 0.66 0.00 0.00 57.16 58.28 1u2j n GLU 573 Cb 0.37 -2.54 -0.05 0.00 0.27 0.00 0.00 31.44 29.48 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 1.75 3.98 0.16 5.31 0.04 -1.26 -4.95 135.00 140.02 1u2j s PRO 574 Ca 0.83 1.29 0.22 0.00 0.04 0.00 0.00 61.00 63.38 1u2j s PRO 574 Cb -0.70 -2.16 -0.06 0.00 0.04 0.00 0.00 34.50 31.62 1u2j s PRO 574 CO 0.42 -0.27 0.94 -0.89 0.04 0.00 0.00 177.00 177.24 1u2j n ILE 575 N -0.78 0.59 -3.54 0.56 5.41 -1.26 -4.90 119.36 115.44 1u2j n ILE 575 Ca 0.08 -0.56 -0.15 0.00 1.00 0.00 0.00 62.75 63.13 1u2j n ILE 575 Cb 0.53 -0.33 -0.05 0.00 -0.71 0.00 0.00 39.64 39.07 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 -3.34 -1.83 -0.42 -1.39 0.00 -1.26 -1.03 121.76 112.48 1u2j s ALA 576 Ca -0.02 1.41 0.04 0.00 0.00 0.00 0.00 51.96 53.40 1u2j s ALA 576 Cb 0.10 -0.27 0.17 0.00 0.00 0.00 0.00 23.12 23.12 1u2j s ALA 576 CO 0.81 -0.36 0.46 0.34 0.00 0.00 0.00 175.76 177.01 1u2j s ASP 577 N -1.21 0.55 0.04 0.00 -1.08 -0.47 -4.90 116.67 109.61 1u2j s ASP 577 Ca -0.07 -2.13 0.05 0.00 -0.52 0.00 0.00 52.55 49.89 1u2j s ASP 577 Cb -0.00 0.57 0.26 0.00 -1.46 0.00 0.00 42.92 42.29 1u2j s ASP 577 CO 0.06 -0.17 1.17 0.61 0.52 0.00 0.00 175.17 177.35 1u2j n GLY 578 N 3.43 -0.64 0.03 2.66 0.00 -1.26 -0.46 105.19 108.95 1u2j n GLY 578 Ca 0.19 0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.34 1u2j n GLY 578 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1u2j n PHE 579 N -1.60 0.25 -0.60 1.61 3.72 -1.26 -2.82 117.46 116.75 1u2j n PHE 579 Ca 0.00 0.08 0.00 0.00 -0.05 0.00 0.00 57.45 57.49 1u2j n PHE 579 Cb 0.04 -0.63 0.00 0.00 -0.94 0.00 0.00 39.48 37.94 1u2j n PHE 579 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1u2j n ARG 580 N -1.71 0.27 -3.72 -1.08 1.74 0.39 -4.77 116.66 107.77 1u2j n ARG 580 Ca 0.05 -0.49 -0.26 0.00 -0.77 0.00 0.00 57.85 56.38 1u2j n ARG 580 Cb 0.27 -0.70 0.06 0.00 -1.02 0.00 0.00 32.46 31.07 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 -0.08 -5.01 -4.72 0.55 2.85 -0.25 -0.06 115.26 108.53 1u2j n ASN 581 Ca 0.00 -0.66 -0.33 0.00 -0.11 0.00 0.00 54.58 53.48 1u2j n ASN 581 Cb 0.25 -4.51 -0.08 0.00 1.24 0.00 0.00 39.78 36.69 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 -3.34 3.16 -0.30 1.20 5.04 -0.49 -4.75 117.35 117.88 1u2j s TYR 582 Ca 0.53 0.13 -0.08 0.00 -2.44 0.00 0.00 57.07 55.22 1u2j s TYR 582 Cb -0.25 -1.70 0.15 0.00 0.35 0.00 0.00 41.96 40.52 1u2j s TYR 582 CO 0.78 0.50 0.68 0.50 -1.34 0.00 0.00 175.55 176.66 1u2j s ARG 583 N -1.63 0.54 0.43 4.97 3.00 -1.26 -1.36 118.95 123.63 1u2j s ARG 583 Ca 0.21 1.22 0.06 0.00 -1.00 0.00 0.00 55.73 56.22 1u2j s ARG 583 Cb -0.12 0.72 -0.06 0.00 0.00 0.00 0.00 34.95 35.49 1u2j s ARG 583 CO 0.12 -0.33 0.08 0.00 0.00 0.00 0.00 175.30 175.18 1u2j s ALA 584 N 2.85 3.49 -0.91 6.12 0.00 -0.20 -4.92 121.76 128.20 1u2j s ALA 584 Ca 0.03 -1.95 -0.04 0.00 0.00 0.00 0.00 51.96 50.01 1u2j s ALA 584 Cb -0.12 -0.08 -0.03 0.00 0.00 0.00 0.00 23.12 22.89 1u2j s ALA 584 CO -0.19 -0.14 0.81 0.54 0.00 0.00 0.00 175.76 176.78 1u2j n ARG 585 N -1.13 -1.77 0.00 0.00 1.74 -1.26 -4.76 116.66 109.47 1u2j n ARG 585 Ca -0.05 1.14 0.05 0.00 -0.77 0.00 0.00 57.85 58.22 1u2j n ARG 585 Cb 0.66 -5.67 0.31 0.00 -1.02 0.00 0.00 32.46 26.74 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 -2.59 0.00 -0.17 0.55 4.77 -1.26 -1.85 117.00 116.46 1u2j n LEU 586 Ca -0.04 0.08 0.09 0.00 -0.03 0.00 0.00 56.01 56.11 1u2j n LEU 586 Cb 0.57 -0.08 -0.07 0.00 -2.33 0.00 0.00 43.42 41.51 1u2j n LEU 586 CO 0.57 -0.05 0.08 -0.90 -1.33 0.00 0.00 177.39 175.76 1u2j n ASP 587 N -1.08 1.26 -4.55 -1.43 5.68 -1.26 -4.82 116.55 110.34 1u2j n ASP 587 Ca 0.07 -1.13 -0.40 0.00 -0.50 0.00 0.00 54.79 52.83 1u2j n ASP 587 Cb 0.05 0.80 -0.09 0.00 -1.14 0.00 0.00 41.12 40.74 1u2j n ASP 587 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1u2j s VAL 588 N -2.56 5.16 0.00 2.12 1.01 -0.77 -5.00 120.40 120.35 1u2j s VAL 588 Ca 0.11 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.24 1u2j s VAL 588 Cb 0.15 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.72 1u2j s VAL 588 CO 0.67 -0.06 0.00 -1.54 0.00 0.00 0.00 175.10 174.17 1u2j n SER 589 N 5.40 -2.77 -4.30 3.32 3.41 -1.26 -4.83 113.62 112.58 1u2j n SER 589 Ca -0.09 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.36 1u2j n SER 589 Cb 0.50 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.35 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 1.41 0.18 6.66 -4.23 -1.26 -5.02 115.64 113.38 1u2j s THR 590 Ca 0.00 -2.12 -0.13 0.00 -1.18 0.00 0.00 61.69 58.26 1u2j s THR 590 Cb 0.00 -1.98 0.09 0.00 1.34 0.00 0.00 72.50 71.95 1u2j s THR 590 CO 0.00 -0.64 1.84 0.74 -0.54 0.00 0.00 174.62 176.02 1u2j h THR 591 N 2.65 1.13 0.00 3.99 2.02 -1.95 -0.44 112.91 120.31 1u2j h THR 591 Ca -0.37 -0.26 -0.15 0.00 0.77 0.00 0.00 66.41 66.39 1u2j h THR 591 Cb 1.21 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 1u2j h THR 591 CO 0.63 0.14 -0.73 1.05 0.37 0.00 0.00 175.52 176.98 1u2j h GLU 592 N 0.76 0.00 -0.07 6.66 9.09 -1.96 -2.73 114.58 126.32 1u2j h GLU 592 Ca 0.22 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 59.58 1u2j h GLU 592 Cb -0.06 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.04 1u2j h GLU 592 CO -0.06 0.73 -0.15 0.66 0.05 0.00 0.00 179.01 180.24 1u2j h SER 593 N 0.00 0.25 -0.58 3.06 4.64 -1.82 -2.65 113.55 116.45 1u2j h SER 593 Ca -0.01 -0.57 0.17 0.00 -0.47 0.00 0.00 61.79 60.91 1u2j h SER 593 Cb 1.35 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 63.35 1u2j h SER 593 CO 0.09 0.77 0.65 -0.07 -0.87 0.00 0.00 176.83 177.40 1u2j h LEU 594 N -0.27 0.00 -0.05 5.97 3.38 -1.12 -0.65 115.31 122.57 1u2j h LEU 594 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1u2j h LEU 594 Cb 0.74 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 1u2j h LEU 594 CO 0.03 0.00 -0.07 0.25 0.09 0.00 0.00 178.44 178.74 1u2j h LEU 595 N 0.00 0.15 0.10 1.67 5.85 -1.15 -1.25 115.31 120.68 1u2j h LEU 595 Ca 0.28 -0.54 0.02 0.00 0.84 0.00 0.00 57.88 58.48 1u2j h LEU 595 Cb 1.57 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.51 1u2j h LEU 595 CO -0.00 0.65 -0.30 0.40 -0.34 0.00 0.00 178.44 178.85 1u2j h ILE 596 N -0.36 0.35 0.10 4.05 1.08 -1.13 -0.78 117.51 120.82 1u2j h ILE 596 Ca 0.00 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.49 1u2j h ILE 596 Cb 0.62 0.35 -0.05 0.00 -3.07 0.00 0.00 36.82 34.67 1u2j h ILE 596 CO 0.02 0.00 -0.53 -0.78 -0.69 0.00 0.00 178.15 176.17 1u2j h ASP 597 N -0.51 -1.59 -0.83 1.72 -0.00 -1.14 0.17 116.42 114.24 1u2j h ASP 597 Ca 0.04 0.17 0.13 0.00 -0.00 0.00 0.00 57.03 57.37 1u2j h ASP 597 Cb 0.55 0.59 -0.14 0.00 -0.00 0.00 0.00 39.33 40.33 1u2j h ASP 597 CO -0.19 -0.55 -0.37 0.50 -0.00 0.00 0.00 179.24 178.63 1u2j h LYS 598 N -0.74 -0.07 -0.60 0.28 1.63 -1.16 -0.26 116.57 115.66 1u2j h LYS 598 Ca 0.00 0.00 0.02 0.00 -0.85 0.00 0.00 60.65 59.83 1u2j h LYS 598 Cb 0.75 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 32.36 1u2j h LYS 598 CO -0.30 -0.04 0.38 0.00 -3.45 0.00 0.00 179.45 176.03 1u2j h ALA 599 N 1.21 0.77 -0.52 5.00 0.00 0.30 -1.92 119.26 124.11 1u2j h ALA 599 Ca 0.30 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 1u2j h ALA 599 Cb 0.58 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1u2j h ALA 599 CO -0.86 0.13 0.24 1.96 0.00 0.00 0.00 179.25 180.72 1u2j h GLN 600 N 0.75 0.76 -0.84 0.00 4.20 -0.10 0.47 115.11 120.35 1u2j h GLN 600 Ca 0.24 -0.12 0.21 0.00 0.06 0.00 0.00 58.65 59.04 1u2j h GLN 600 Cb -0.01 -0.13 -0.14 0.00 0.30 0.00 0.00 27.48 27.50 1u2j h GLN 600 CO -0.09 0.63 0.18 1.96 -0.67 0.00 0.00 178.83 180.84 1u2j h GLN 601 N 0.70 0.19 -0.34 1.46 4.20 -0.56 1.09 115.11 121.85 1u2j h GLN 601 Ca 0.18 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.88 1u2j h GLN 601 Cb 0.13 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.87 1u2j h GLN 601 CO -0.02 0.13 0.00 1.28 -0.67 0.00 0.00 178.83 179.54 1u2j n LEU 602 N -5.24 1.17 -2.43 1.46 4.77 -0.50 -0.96 117.00 115.27 1u2j n LEU 602 Ca 0.19 -0.59 -0.17 0.00 -0.03 0.00 0.00 56.01 55.40 1u2j n LEU 602 Cb 0.61 -0.21 -0.01 0.00 -2.33 0.00 0.00 43.42 41.48 1u2j n LEU 602 CO 0.07 0.25 -0.22 0.35 -1.33 0.00 0.00 177.39 176.51 1u2j n THR 603 N 0.03 -0.84 -3.01 -5.08 -2.24 0.38 -4.93 114.28 98.58 1u2j n THR 603 Ca 0.06 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.46 1u2j n THR 603 Cb 0.22 -2.48 -0.06 0.00 -2.10 0.00 0.00 70.33 65.91 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 -5.88 4.42 0.78 3.22 1.43 0.04 -4.97 118.68 117.73 1u2j s LEU 604 Ca 0.01 1.56 -0.12 0.00 -1.03 0.00 0.00 54.13 54.55 1u2j s LEU 604 Cb -0.00 -3.56 0.06 0.00 0.03 0.00 0.00 46.19 42.72 1u2j s LEU 604 CO 0.01 0.07 1.11 0.42 0.23 0.00 0.00 176.35 178.19 1u2j s THR 605 N -1.42 2.96 0.19 5.49 -4.23 -1.26 -4.53 115.64 112.85 1u2j s THR 605 Ca 0.42 0.31 -0.12 0.00 -1.18 0.00 0.00 61.69 61.12 1u2j s THR 605 Cb -0.19 -3.16 0.10 0.00 1.34 0.00 0.00 72.50 70.59 1u2j s THR 605 CO 0.23 -0.41 1.82 0.00 -0.54 0.00 0.00 174.62 175.72 1u2j h ALA 606 N -1.00 0.77 -0.75 3.99 0.00 -1.99 0.67 119.26 120.94 1u2j h ALA 606 Ca -0.47 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 1u2j h ALA 606 Cb 1.28 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 1u2j h ALA 606 CO 0.62 0.05 0.35 -1.35 0.00 0.00 0.00 179.25 178.92 1u2j h PRO 607 N 0.67 1.08 0.01 0.00 0.11 -1.97 -1.77 132.00 130.14 1u2j h PRO 607 Ca 0.25 -0.16 -0.00 0.00 0.11 0.00 0.00 66.00 66.20 1u2j h PRO 607 Cb 0.07 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 30.98 1u2j h PRO 607 CO -0.12 0.84 -0.01 0.93 -0.21 0.00 0.00 178.00 179.43 1u2j h GLU 608 N 1.07 -0.02 -0.57 1.05 5.08 -1.58 0.71 114.58 120.33 1u2j h GLU 608 Ca 0.26 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.73 1u2j h GLU 608 Cb 0.12 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.29 1u2j h GLU 608 CO -0.03 0.21 0.05 1.98 -1.00 0.00 0.00 179.01 180.22 1u2j h MET 609 N -0.25 0.16 0.48 2.33 4.05 -0.90 0.24 114.93 121.04 1u2j h MET 609 Ca -0.00 -0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.38 1u2j h MET 609 Cb 0.24 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.01 1u2j h MET 609 CO 0.00 0.11 -0.23 1.15 0.23 0.00 0.00 176.91 178.17 1u2j h THR 610 N 0.17 0.00 -0.80 -0.77 2.02 -0.94 0.46 112.91 113.05 1u2j h THR 610 Ca 0.29 -0.05 0.15 0.00 0.77 0.00 0.00 66.41 67.58 1u2j h THR 610 Cb 0.45 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 66.72 1u2j h THR 610 CO -0.44 0.00 -0.23 0.00 0.37 0.00 0.00 175.52 175.21 1u2j h ALA 611 N -1.66 0.43 -0.00 6.16 0.00 0.45 -1.39 119.26 123.25 1u2j h ALA 611 Ca -0.07 0.29 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1u2j h ALA 611 Cb 0.49 0.67 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1u2j h ALA 611 CO 0.11 -0.45 -0.02 -0.07 0.00 0.00 0.00 179.25 178.81 1u2j h LEU 612 N -0.02 -0.07 -0.50 0.00 4.07 0.16 -1.50 115.31 117.45 1u2j h LEU 612 Ca 0.37 0.01 0.06 0.00 0.08 0.00 0.00 57.88 58.40 1u2j h LEU 612 Cb 0.59 0.03 -0.05 0.00 1.08 0.00 0.00 40.66 42.30 1u2j h LEU 612 CO -0.83 -0.04 0.19 0.58 -1.08 0.00 0.00 178.44 177.27 1u2j h VAL 613 N -0.04 0.86 -0.28 1.22 2.07 0.82 -0.58 116.25 120.32 1u2j h VAL 613 Ca 0.01 -0.13 -0.16 0.00 0.82 0.00 0.00 66.70 67.24 1u2j h VAL 613 Cb 0.06 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 1u2j h VAL 613 CO -0.03 0.07 -0.46 1.23 0.02 0.00 0.00 177.57 178.40 1u2j h GLY 614 N 0.38 0.81 1.00 2.17 0.00 -0.98 -1.30 103.07 105.16 1u2j h GLY 614 Ca 0.23 -0.88 -0.00 0.00 0.00 0.00 0.00 47.33 46.68 1u2j h GLY 614 CO -0.22 0.79 -0.04 -1.33 0.00 0.00 0.00 176.54 175.74 1u2j h GLY 615 N 0.90 -0.12 1.02 4.60 0.00 -1.19 -2.78 103.07 105.50 1u2j h GLY 615 Ca 0.03 0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.39 1u2j h GLY 615 CO 0.10 -0.05 0.41 1.98 0.00 0.00 0.00 176.54 178.98 1u2j h MET 616 N -0.12 1.13 0.07 4.80 4.05 -0.78 -0.38 114.93 123.70 1u2j h MET 616 Ca -0.01 -0.15 0.02 0.00 -0.28 0.00 0.00 59.70 59.28 1u2j h MET 616 Cb 0.09 -0.21 -0.04 0.00 -0.80 0.00 0.00 31.60 30.64 1u2j h MET 616 CO 0.02 0.86 -0.27 0.00 0.23 0.00 0.00 176.91 177.74 1u2j h ARG 617 N 1.12 -0.44 0.00 0.39 2.47 -1.28 -1.69 114.38 114.94 1u2j h ARG 617 Ca 0.28 0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 59.01 1u2j h ARG 617 Cb 0.08 0.10 -0.00 0.00 -1.65 0.00 0.00 29.97 28.50 1u2j h ARG 617 CO -0.04 -0.29 -0.09 -0.39 0.56 0.00 0.00 179.97 179.72 1u2j h VAL 618 N -0.46 0.23 -0.00 2.04 -1.51 -1.10 -2.36 116.25 113.10 1u2j h VAL 618 Ca 0.04 -0.77 0.00 0.00 -1.23 0.00 0.00 66.70 64.75 1u2j h VAL 618 Cb 0.51 1.62 0.00 0.00 -2.13 0.00 0.00 31.29 31.29 1u2j h VAL 618 CO -0.19 0.09 -0.10 0.18 -1.23 0.00 0.00 177.57 176.32 1u2j n LEU 619 N -3.22 0.21 -0.09 4.19 4.77 -0.21 -0.43 117.00 122.21 1u2j n LEU 619 Ca 0.00 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 1u2j n LEU 619 Cb 0.36 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1u2j n LEU 619 CO 0.30 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 1u2j n GLY 620 N 1.38 0.62 1.76 -0.72 0.00 -0.89 -3.62 105.19 103.72 1u2j n GLY 620 Ca 0.11 -0.76 -0.13 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.25 4.41 -0.72 4.61 0.00 -0.68 -4.82 120.51 122.07 1u2j n ALA 621 Ca 0.00 -1.84 -0.30 0.00 0.00 0.00 0.00 53.44 51.30 1u2j n ALA 621 Cb 0.45 -1.27 0.18 0.00 0.00 0.00 0.00 19.45 18.81 1u2j n ALA 621 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1u2j s ASN 622 N -0.53 2.56 0.00 0.00 0.01 -1.26 -4.53 114.94 111.19 1u2j s ASN 622 Ca 0.38 1.97 0.25 0.00 -0.71 0.00 0.00 52.86 54.75 1u2j s ASN 622 Cb 0.31 -2.48 1.35 0.00 0.41 0.00 0.00 41.25 40.84 1u2j s ASN 622 CO 0.08 -3.29 1.86 2.22 -1.51 0.00 0.00 177.10 176.45 1u2j n PHE 623 N -4.35 0.00 -4.36 2.20 1.16 0.92 -4.79 117.46 108.23 1u2j n PHE 623 Ca 0.09 0.00 -0.21 0.00 -1.87 0.00 0.00 57.45 55.46 1u2j n PHE 623 Cb 0.53 -0.20 -0.08 0.00 -1.61 0.00 0.00 39.48 38.12 1u2j n PHE 623 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1u2j s ASP 624 N -2.40 1.98 0.00 5.98 2.15 -1.26 -4.28 116.67 118.84 1u2j s ASP 624 Ca 0.28 -1.70 0.30 0.00 0.43 0.00 0.00 52.55 51.86 1u2j s ASP 624 Cb 0.17 0.53 1.40 0.00 -0.30 0.00 0.00 42.92 44.72 1u2j s ASP 624 CO 0.36 -1.00 1.99 0.61 -0.17 0.00 0.00 175.17 176.96 1u2j n GLY 625 N -0.70 -1.34 3.48 2.66 0.00 -1.26 -4.97 105.19 103.06 1u2j n GLY 625 Ca 0.02 -0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.34 -0.58 -0.96 1.61 2.88 -1.26 -4.84 113.62 109.13 1u2j n SER 626 Ca 0.12 0.87 0.11 0.00 -1.33 0.00 0.00 58.87 58.64 1u2j n SER 626 Cb 0.28 -1.17 0.26 0.00 -0.75 0.00 0.00 64.21 62.83 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 0.29 2.25 -1.68 -1.46 5.02 -1.26 -4.83 118.16 116.49 1u2j n LYS 627 Ca 0.11 -1.89 -0.48 0.00 -2.02 0.00 0.00 58.31 54.04 1u2j n LYS 627 Cb 0.42 -1.47 -0.05 0.00 -0.02 0.00 0.00 35.03 33.92 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 1.10 3.43 0.00 4.39 4.13 -1.26 -0.20 115.26 126.85 1u2j n ASN 628 Ca 0.18 0.99 0.00 0.00 1.68 0.00 0.00 54.58 57.43 1u2j n ASN 628 Cb 0.51 -1.39 0.00 0.00 -1.54 0.00 0.00 39.78 37.36 1u2j n ASN 628 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1u2j n GLY 629 N 4.26 0.49 2.83 7.41 0.00 0.74 -4.83 105.19 116.09 1u2j n GLY 629 Ca 0.22 0.00 -0.42 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 -2.63 4.75 -2.27 1.61 0.31 0.72 -4.70 118.33 116.11 1u2j n VAL 630 Ca 0.00 -4.78 -0.42 0.00 -0.01 0.00 0.00 64.34 59.14 1u2j n VAL 630 Cb 0.08 -2.23 -0.01 0.00 -0.91 0.00 0.00 33.84 30.77 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 2.88 4.16 -3.55 3.52 3.72 -1.26 -4.84 117.46 122.09 1u2j n PHE 631 Ca 0.40 -2.77 -0.12 0.00 -0.05 0.00 0.00 57.45 54.90 1u2j n PHE 631 Cb 0.34 -2.59 -0.05 0.00 -0.94 0.00 0.00 39.48 36.24 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 4.35 0.00 -0.64 4.37 -1.32 -1.26 -3.77 115.64 117.37 1u2j s THR 632 Ca 0.53 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 61.26 1u2j s THR 632 Cb 0.07 -1.00 0.24 0.00 -1.51 0.00 0.00 72.50 70.29 1u2j s THR 632 CO 0.04 0.00 1.62 -2.24 -2.21 0.00 0.00 174.62 171.83 1u2j h ASP 633 N 2.59 0.00 -3.92 8.08 2.03 -2.01 -3.42 116.42 119.77 1u2j h ASP 633 Ca -0.21 -0.04 -0.63 0.00 -0.73 0.00 0.00 57.03 55.42 1u2j h ASP 633 Cb 1.17 0.00 -0.40 0.00 -0.83 0.00 0.00 39.33 39.26 1u2j h ASP 633 CO 0.33 0.02 -0.69 0.00 -1.03 0.00 0.00 179.24 177.88 1u2j s ARG 634 N -3.15 1.61 0.10 4.15 3.03 -1.26 -5.08 118.95 118.35 1u2j s ARG 634 Ca 0.09 -2.26 -0.30 0.00 2.03 0.00 0.00 55.73 55.28 1u2j s ARG 634 Cb 0.11 -2.84 -0.06 0.00 -1.03 0.00 0.00 34.95 31.13 1u2j s ARG 634 CO 0.64 -1.12 1.04 0.08 -1.13 0.00 0.00 175.30 174.82 1u2j s VAL 635 N 0.12 4.33 0.00 4.99 1.01 -1.26 -2.20 120.40 127.39 1u2j s VAL 635 Ca 0.17 1.85 0.00 0.00 0.00 0.00 0.00 61.98 64.00 1u2j s VAL 635 Cb -0.25 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 31.95 1u2j s VAL 635 CO -0.01 0.24 0.00 0.61 0.00 0.00 0.00 175.10 175.94 1u2j n GLY 636 N 2.48 0.69 3.62 4.51 0.00 0.42 -4.96 105.19 111.95 1u2j n GLY 636 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 1u2j n GLY 636 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u2j s VAL 637 N -2.52 5.28 -1.26 1.61 1.01 -0.94 -4.26 120.40 119.32 1u2j s VAL 637 Ca 0.00 0.15 -0.18 0.00 0.00 0.00 0.00 61.98 61.95 1u2j s VAL 637 Cb 0.00 -3.48 0.01 0.00 0.00 0.00 0.00 36.38 32.90 1u2j s VAL 637 CO 0.00 0.31 1.91 -0.11 0.00 0.00 0.00 175.10 177.20 1u2j n LEU 638 N 4.64 4.90 0.00 3.92 7.94 -1.07 -4.57 117.00 132.76 1u2j n LEU 638 Ca -0.15 -3.71 -0.19 0.00 -1.11 0.00 0.00 56.01 50.85 1u2j n LEU 638 Cb 0.52 -1.66 0.06 0.00 0.53 0.00 0.00 43.42 42.87 1u2j n LEU 638 CO 0.34 -0.09 0.35 -1.54 -1.11 0.00 0.00 177.39 175.34 1u2j n SER 639 N 9.00 2.09 -1.20 1.96 3.41 -1.26 -4.78 113.62 122.85 1u2j n SER 639 Ca 0.49 -2.52 0.08 0.00 -0.26 0.00 0.00 58.87 56.65 1u2j n SER 639 Cb 0.44 -0.40 0.30 0.00 -0.26 0.00 0.00 64.21 64.29 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 -2.33 4.42 -0.35 4.04 6.94 -1.26 -4.66 115.26 122.06 1u2j n ASN 640 Ca 0.15 -3.02 0.14 0.00 -0.02 0.00 0.00 54.58 51.84 1u2j n ASN 640 Cb 0.59 -0.59 0.33 0.00 -2.36 0.00 0.00 39.78 37.75 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 2.43 0.73 -0.75 0.53 3.32 -1.91 0.19 116.42 120.96 1u2j h ASP 641 Ca 0.01 0.11 0.14 0.00 0.02 0.00 0.00 57.03 57.30 1u2j h ASP 641 Cb 1.62 -0.02 -0.09 0.00 0.22 0.00 0.00 39.33 41.06 1u2j h ASP 641 CO 0.31 0.22 0.31 0.15 -1.72 0.00 0.00 179.24 178.51 1u2j h PHE 642 N 0.70 0.52 0.09 4.55 3.57 -1.82 0.22 116.94 124.77 1u2j h PHE 642 Ca 0.59 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 62.12 1u2j h PHE 642 Cb 0.98 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.60 1u2j h PHE 642 CO -0.01 0.08 -0.04 0.74 -2.23 0.00 0.00 178.31 176.84 1u2j h PHE 643 N 0.46 -0.11 -0.47 0.41 0.04 -1.27 0.14 116.94 116.14 1u2j h PHE 643 Ca 0.41 -0.00 0.05 0.00 2.80 0.00 0.00 57.97 61.23 1u2j h PHE 643 Cb 0.60 0.04 -0.08 0.00 2.20 0.00 0.00 35.95 38.70 1u2j h PHE 643 CO -0.16 0.42 -0.53 0.28 -0.60 0.00 0.00 178.31 177.72 1u2j h VAL 644 N -0.87 0.00 -0.86 -0.55 2.07 -1.40 -1.07 116.25 113.57 1u2j h VAL 644 Ca -0.01 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 1u2j h VAL 644 Cb 0.58 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.31 1u2j h VAL 644 CO 0.02 0.00 0.50 0.78 0.02 0.00 0.00 177.57 178.89 1u2j h ASN 645 N -0.32 1.04 -0.71 0.57 2.35 -0.64 -1.65 115.58 116.22 1u2j h ASN 645 Ca 0.08 -0.08 0.13 0.00 -0.55 0.00 0.00 56.30 55.88 1u2j h ASN 645 Cb 0.54 -0.26 -0.09 0.00 0.05 0.00 0.00 38.32 38.55 1u2j h ASN 645 CO -0.61 0.81 0.27 0.25 -1.65 0.00 0.00 177.43 176.50 1u2j h LEU 646 N 1.18 0.25 -2.93 1.61 5.85 -0.27 -2.66 115.31 118.34 1u2j h LEU 646 Ca 0.31 0.10 0.00 0.00 0.84 0.00 0.00 57.88 59.13 1u2j h LEU 646 Cb -0.03 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.09 1u2j h LEU 646 CO -0.06 0.11 0.00 0.18 -0.34 0.00 0.00 178.44 178.33 1u2j n LEU 647 N -5.01 4.33 -4.69 2.25 4.77 -0.45 -4.94 117.00 113.27 1u2j n LEU 647 Ca 0.12 -2.20 -0.42 0.00 -0.03 0.00 0.00 56.01 53.48 1u2j n LEU 647 Cb 0.37 -0.53 -0.03 0.00 -2.33 0.00 0.00 43.42 40.90 1u2j n LEU 647 CO 0.19 0.91 1.04 -0.62 -1.33 0.00 0.00 177.39 177.58 1u2j s ASP 648 N -0.96 6.95 0.06 -1.43 -1.08 -0.69 -4.89 116.67 114.62 1u2j s ASP 648 Ca 0.50 1.95 0.24 0.00 -0.52 0.00 0.00 52.55 54.72 1u2j s ASP 648 Cb 0.29 -2.56 0.97 0.00 -1.46 0.00 0.00 42.92 40.16 1u2j s ASP 648 CO 0.29 -0.66 1.75 0.23 0.52 0.00 0.00 175.17 177.30 1u2j n MET 649 N 5.38 0.06 0.26 4.34 2.81 -1.26 -2.09 117.12 126.62 1u2j n MET 649 Ca 0.12 0.15 0.18 0.00 -1.81 0.00 0.00 57.70 56.34 1u2j n MET 649 Cb 0.45 -1.58 0.86 0.00 -0.71 0.00 0.00 33.22 32.23 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 0.00 0.00 -5.26 0.03 2.43 -1.96 -3.42 114.38 106.19 1u2j h ARG 650 Ca 0.00 0.00 -0.64 0.00 -0.81 0.00 0.00 59.98 58.53 1u2j h ARG 650 Cb 0.45 0.00 -0.23 0.00 -0.42 0.00 0.00 29.97 29.77 1u2j h ARG 650 CO 0.00 0.00 -0.68 0.71 -1.51 0.00 0.00 179.97 178.49 1u2j s TYR 651 N -4.32 3.00 -0.21 2.20 1.51 -0.89 -0.98 117.35 117.66 1u2j s TYR 651 Ca -0.04 -0.39 -0.10 0.00 -1.01 0.00 0.00 57.07 55.53 1u2j s TYR 651 Cb 0.12 -1.97 -0.05 0.00 -0.11 0.00 0.00 41.96 39.95 1u2j s TYR 651 CO 0.40 -0.11 0.13 -2.00 -1.11 0.00 0.00 175.55 172.87 1u2j s GLU 652 N 0.50 4.15 -0.17 -0.62 2.12 -0.39 -4.89 118.70 119.39 1u2j s GLU 652 Ca -0.04 -0.24 -0.05 0.00 0.36 0.00 0.00 54.97 55.01 1u2j s GLU 652 Cb -0.14 -3.44 -0.03 0.00 0.26 0.00 0.00 34.13 30.78 1u2j s GLU 652 CO 0.03 0.23 -0.01 -1.58 -0.54 0.00 0.00 175.26 173.39 1u2j s TRP 653 N 0.55 3.07 0.01 5.30 0.52 -1.26 -0.79 118.94 126.34 1u2j s TRP 653 Ca 0.08 -0.26 -0.00 0.00 0.02 0.00 0.00 56.10 55.93 1u2j s TRP 653 Cb -0.12 -2.00 -0.01 0.00 -1.15 0.00 0.00 33.47 30.19 1u2j s TRP 653 CO -0.00 -0.04 -0.00 0.15 0.02 0.00 0.00 176.95 177.07 1u2j s LYS 654 N 0.48 0.14 0.40 4.98 1.02 -0.98 -4.96 119.74 120.83 1u2j s LYS 654 Ca -0.02 -0.25 -0.26 0.00 0.02 0.00 0.00 55.97 55.46 1u2j s LYS 654 Cb -0.14 0.05 -0.09 0.00 -0.52 0.00 0.00 37.83 37.13 1u2j s LYS 654 CO 0.02 -0.02 1.36 0.00 -0.92 0.00 0.00 175.35 175.79 1u2j s ALA 655 N -0.61 3.33 -0.40 5.17 0.00 -1.26 -2.18 121.76 125.81 1u2j s ALA 655 Ca -0.07 1.35 0.23 0.00 0.00 0.00 0.00 51.96 53.47 1u2j s ALA 655 Cb -0.04 -3.53 0.28 0.00 0.00 0.00 0.00 23.12 19.82 1u2j s ALA 655 CO -0.00 -0.93 1.49 1.79 0.00 0.00 0.00 175.76 178.10 1u2j h THR 656 N 2.56 0.00 -2.70 0.00 1.35 -1.70 -3.48 112.91 108.94 1u2j h THR 656 Ca -0.50 -0.99 0.10 0.00 -0.55 0.00 0.00 66.41 64.47 1u2j h THR 656 Cb 1.25 1.88 -0.04 0.00 -1.73 0.00 0.00 68.15 69.50 1u2j h THR 656 CO 0.63 0.00 0.40 1.51 -0.25 0.00 0.00 175.52 177.81 1u2j s ASP 657 N -5.98 -0.09 0.39 5.36 1.47 -1.26 -5.05 116.67 111.50 1u2j s ASP 657 Ca 0.05 -0.73 0.28 0.00 1.18 0.00 0.00 52.55 53.34 1u2j s ASP 657 Cb 0.06 0.64 1.34 0.00 -0.34 0.00 0.00 42.92 44.62 1u2j s ASP 657 CO 0.69 -1.24 1.85 1.05 0.68 0.00 0.00 175.17 178.20 1u2j h GLU 658 N 2.00 0.00 0.00 2.11 4.11 -1.99 -1.24 114.58 119.57 1u2j h GLU 658 Ca -0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.17 1u2j h GLU 658 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1u2j h GLU 658 CO 0.32 0.00 -0.16 -1.13 0.07 0.00 0.00 179.01 178.11 1u2j n SER 659 N -2.52 0.62 -4.38 3.06 3.41 -1.26 -4.92 113.62 107.63 1u2j n SER 659 Ca -0.00 0.42 -0.37 0.00 -0.26 0.00 0.00 58.87 58.65 1u2j n SER 659 Cb 0.15 -0.48 -0.07 0.00 -0.26 0.00 0.00 64.21 63.55 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 -2.04 -1.45 0.00 4.33 5.02 -0.47 -4.83 118.16 118.72 1u2j n LYS 660 Ca 0.05 0.19 0.13 0.00 -2.02 0.00 0.00 58.31 56.66 1u2j n LYS 660 Cb 0.41 -4.49 0.34 0.00 -0.02 0.00 0.00 35.03 31.27 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 -4.29 0.46 -3.71 1.97 -0.58 -1.26 -4.72 120.64 108.52 1u2j n GLU 661 Ca -0.04 -0.26 -0.16 0.00 -0.42 0.00 0.00 57.16 56.29 1u2j n GLU 661 Cb 0.54 -1.49 -0.15 0.00 -0.57 0.00 0.00 31.44 29.76 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 -2.72 0.34 0.29 -4.62 2.96 -1.26 -4.22 118.68 109.45 1u2j s LEU 662 Ca 0.19 0.27 0.11 0.00 -0.22 0.00 0.00 54.13 54.48 1u2j s LEU 662 Cb 0.19 0.23 -0.05 0.00 0.50 0.00 0.00 46.19 47.06 1u2j s LEU 662 CO 0.59 -0.20 -0.12 -0.36 -1.32 0.00 0.00 176.35 174.95 1u2j s PHE 663 N 1.76 2.43 -0.04 5.38 0.40 0.17 -1.71 117.98 126.37 1u2j s PHE 663 Ca -0.02 -0.33 0.06 0.00 -0.60 0.00 0.00 56.93 56.04 1u2j s PHE 663 Cb -0.12 -1.13 -0.01 0.00 0.51 0.00 0.00 43.02 42.27 1u2j s PHE 663 CO -0.05 0.66 -0.21 -1.21 0.70 0.00 0.00 175.22 175.10 1u2j s GLU 664 N -3.58 2.01 -0.52 0.44 2.02 -0.93 -0.25 118.70 117.89 1u2j s GLU 664 Ca 0.31 -0.76 -0.16 0.00 0.02 0.00 0.00 54.97 54.38 1u2j s GLU 664 Cb -0.04 -1.79 0.11 0.00 0.10 0.00 0.00 34.13 32.51 1u2j s GLU 664 CO 0.17 0.36 0.48 0.20 0.02 0.00 0.00 175.26 176.49 1u2j s GLY 665 N -0.22 2.05 0.01 -1.39 0.00 0.14 -2.31 107.32 105.60 1u2j s GLY 665 Ca 0.01 -2.36 -0.23 0.00 0.00 0.00 0.00 44.72 42.13 1u2j s GLY 665 CO 0.02 1.18 0.69 -1.60 0.00 0.00 0.00 173.10 173.39 1u2j s ARG 666 N 1.71 4.42 -0.08 2.90 3.52 0.03 -1.06 118.95 130.39 1u2j s ARG 666 Ca 0.04 0.91 -0.30 0.00 -0.13 0.00 0.00 55.73 56.25 1u2j s ARG 666 Cb -0.27 -3.37 -0.04 0.00 -1.56 0.00 0.00 34.95 29.71 1u2j s ARG 666 CO 0.05 0.28 1.45 0.34 -0.81 0.00 0.00 175.30 176.60 1u2j s ASP 667 N 0.03 6.82 0.51 -2.12 -1.08 0.20 -1.26 116.67 119.77 1u2j s ASP 667 Ca 0.35 2.00 0.28 0.00 -0.52 0.00 0.00 52.55 54.66 1u2j s ASP 667 Cb -0.19 -2.54 1.36 0.00 -1.46 0.00 0.00 42.92 40.08 1u2j s ASP 667 CO 0.20 -0.81 2.02 0.03 0.52 0.00 0.00 175.17 177.13 1u2j h ARG 668 N 8.62 0.00 0.00 4.34 3.08 -1.39 0.51 114.38 129.55 1u2j h ARG 668 Ca -0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.71 1u2j h ARG 668 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.20 1u2j h ARG 668 CO 0.95 0.13 0.00 0.39 -1.07 0.00 0.00 179.97 180.37 1u2j n GLU 669 N -3.52 0.00 0.09 0.04 1.02 -1.26 -4.25 120.64 112.77 1u2j n GLU 669 Ca -0.01 0.40 0.13 0.00 -0.02 0.00 0.00 57.16 57.65 1u2j n GLU 669 Cb 0.28 -1.05 0.45 0.00 -0.02 0.00 0.00 31.44 31.10 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 -1.70 0.60 -1.08 2.62 -2.24 -1.22 -4.87 114.28 106.39 1u2j n THR 670 Ca 0.00 -0.09 -0.03 0.00 -2.27 0.00 0.00 64.05 61.66 1u2j n THR 670 Cb 0.00 -0.74 -0.01 0.00 -2.10 0.00 0.00 70.33 67.48 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 0.94 0.49 3.73 3.38 0.00 0.17 -4.99 105.19 108.89 1u2j n GLY 671 Ca 0.05 -0.13 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.52 4.52 -0.46 1.61 -1.05 -1.24 -4.71 118.70 115.85 1u2j s GLU 672 Ca 0.00 1.15 -0.27 0.00 -0.15 0.00 0.00 54.97 55.69 1u2j s GLU 672 Cb 0.00 -3.41 -0.03 0.00 -0.44 0.00 0.00 34.13 30.25 1u2j s GLU 672 CO 0.00 0.13 1.97 0.08 0.95 0.00 0.00 175.26 178.40 1u2j s VAL 673 N 0.45 3.30 -0.12 1.83 1.01 -1.26 0.62 120.40 126.23 1u2j s VAL 673 Ca 0.43 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.65 1u2j s VAL 673 Cb -0.20 -3.58 -0.24 0.00 0.00 0.00 0.00 36.38 32.35 1u2j s VAL 673 CO 0.24 -0.49 0.35 1.17 0.00 0.00 0.00 175.10 176.37 1u2j n LYS 674 N 8.85 0.71 -4.11 2.72 3.00 -0.22 -4.95 118.16 124.16 1u2j n LYS 674 Ca 0.25 0.24 -0.14 0.00 -0.00 0.00 0.00 58.31 58.66 1u2j n LYS 674 Cb 0.50 -1.70 -0.11 0.00 0.00 0.00 0.00 35.03 33.72 1u2j n LYS 674 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 1u2j s PHE 675 N -2.56 0.87 0.24 5.64 0.08 -1.08 -4.97 117.98 116.20 1u2j s PHE 675 Ca -0.19 -0.55 0.12 0.00 0.12 0.00 0.00 56.93 56.42 1u2j s PHE 675 Cb 0.07 -0.50 -0.05 0.00 -0.57 0.00 0.00 43.02 41.97 1u2j s PHE 675 CO 0.76 -0.04 -0.20 0.95 -0.10 0.00 0.00 175.22 176.59 1u2j s THR 676 N -1.74 2.49 -0.05 0.64 -4.23 -1.26 0.23 115.64 111.72 1u2j s THR 676 Ca -0.04 -2.20 -0.17 0.00 -1.18 0.00 0.00 61.69 58.10 1u2j s THR 676 Cb -0.07 -2.26 0.03 0.00 1.34 0.00 0.00 72.50 71.54 1u2j s THR 676 CO 0.00 -0.27 0.38 0.00 -0.54 0.00 0.00 174.62 174.20 1u2j s ALA 677 N -2.12 -0.97 0.34 3.99 0.00 0.66 -0.18 121.76 123.47 1u2j s ALA 677 Ca 0.26 0.66 0.05 0.00 0.00 0.00 0.00 51.96 52.93 1u2j s ALA 677 Cb -0.06 -0.12 0.05 0.00 0.00 0.00 0.00 23.12 22.99 1u2j s ALA 677 CO 0.13 -0.26 0.44 -1.13 0.00 0.00 0.00 175.76 174.94 1u2j n SER 678 N 1.61 1.35 0.06 0.00 3.41 -1.26 0.42 113.62 119.21 1u2j n SER 678 Ca -0.19 -1.93 -0.07 0.00 -0.26 0.00 0.00 58.87 56.42 1u2j n SER 678 Cb 0.56 -0.22 0.08 0.00 -0.26 0.00 0.00 64.21 64.38 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 0.32 -0.64 4.33 3.08 -1.85 -2.55 114.38 117.07 1u2j h ARG 679 Ca -0.17 -0.23 -0.04 0.00 0.07 0.00 0.00 59.98 59.61 1u2j h ARG 679 Cb 0.73 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.79 1u2j h ARG 679 CO 0.24 0.85 0.23 0.00 -1.07 0.00 0.00 179.97 180.23 1u2j h ALA 680 N 1.09 1.21 0.05 0.04 0.00 -1.94 0.12 119.26 119.82 1u2j h ALA 680 Ca -0.01 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1u2j h ALA 680 Cb 1.17 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1u2j h ALA 680 CO 0.10 0.57 -0.02 -0.44 0.00 0.00 0.00 179.25 179.46 1u2j h ASP 681 N 0.93 -0.05 0.62 0.00 3.32 -1.87 -3.36 116.42 116.00 1u2j h ASP 681 Ca 0.21 -0.08 -0.27 0.00 0.02 0.00 0.00 57.03 56.91 1u2j h ASP 681 Cb 0.21 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.75 1u2j h ASP 681 CO -0.02 0.05 -1.44 -0.07 -1.72 0.00 0.00 179.24 176.04 1u2j h LEU 682 N -0.15 0.15 -1.71 1.55 4.07 -1.14 -3.07 115.31 115.01 1u2j h LEU 682 Ca -0.01 -0.22 0.29 0.00 0.08 0.00 0.00 57.88 58.02 1u2j h LEU 682 Cb 0.13 -0.05 -0.04 0.00 1.08 0.00 0.00 40.66 41.78 1u2j h LEU 682 CO 0.01 1.18 0.91 1.62 -1.08 0.00 0.00 178.44 181.08 1u2j h VAL 683 N 0.03 0.23 0.00 1.22 3.04 -0.92 1.10 116.25 120.94 1u2j h VAL 683 Ca -0.19 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.49 1u2j h VAL 683 Cb 1.94 0.31 -0.00 0.00 -2.01 0.00 0.00 31.29 31.54 1u2j h VAL 683 CO 0.12 0.00 -0.02 -0.26 -1.01 0.00 0.00 177.57 176.41 1u2j h PHE 684 N 0.00 0.00 0.00 3.17 0.04 -1.70 -1.88 116.94 116.57 1u2j h PHE 684 Ca 0.47 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.24 1u2j h PHE 684 Cb 2.28 0.00 0.00 0.00 2.20 0.00 0.00 35.95 40.43 1u2j h PHE 684 CO 0.00 0.02 -1.25 0.41 -0.60 0.00 0.00 178.31 176.89 1u2j n GLY 685 N -0.63 -0.71 0.12 -1.45 0.00 0.37 -3.03 105.19 99.86 1u2j n GLY 685 Ca -0.02 -0.46 -0.16 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.72 1.54 -4.68 1.61 3.41 -0.86 -4.90 113.62 108.04 1u2j n SER 686 Ca 0.00 0.20 -0.43 0.00 -0.26 0.00 0.00 58.87 58.39 1u2j n SER 686 Cb 0.35 -0.39 -0.02 0.00 -0.26 0.00 0.00 64.21 63.89 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 -6.54 7.08 0.00 4.04 2.47 -0.74 -4.95 114.94 116.30 1u2j s ASN 687 Ca -0.18 1.63 -0.00 0.00 0.42 0.00 0.00 52.86 54.72 1u2j s ASN 687 Cb 0.07 -2.55 -0.00 0.00 -1.45 0.00 0.00 41.25 37.32 1u2j s ASN 687 CO 0.77 -0.61 0.24 -1.20 -3.72 0.00 0.00 177.10 172.58 1u2j n SER 688 N 5.72 -0.02 -0.11 -4.21 7.64 -1.26 -1.49 113.62 119.89 1u2j n SER 688 Ca 0.11 0.24 -0.13 0.00 1.01 0.00 0.00 58.87 60.11 1u2j n SER 688 Cb 0.46 -0.11 -0.03 0.00 -1.01 0.00 0.00 64.21 63.52 1u2j n SER 688 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1u2j h VAL 689 N 0.00 1.29 -0.02 0.44 2.07 -1.97 -2.76 116.25 115.30 1u2j h VAL 689 Ca 0.00 -1.44 -0.05 0.00 0.82 0.00 0.00 66.70 66.03 1u2j h VAL 689 Cb 0.01 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 1u2j h VAL 689 CO -0.01 0.47 -0.24 -0.07 0.02 0.00 0.00 177.57 177.74 1u2j h LEU 690 N 0.58 0.03 -0.19 2.57 3.38 -1.77 -2.68 115.31 117.22 1u2j h LEU 690 Ca 0.06 -0.01 -0.22 0.00 0.09 0.00 0.00 57.88 57.80 1u2j h LEU 690 Cb 0.85 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.60 1u2j h LEU 690 CO 0.07 0.27 -0.81 -0.09 0.09 0.00 0.00 178.44 177.98 1u2j h ARG 691 N 0.03 0.70 -0.29 1.13 2.43 -1.16 -0.81 114.38 116.40 1u2j h ARG 691 Ca 0.00 -0.59 -0.02 0.00 -0.81 0.00 0.00 59.98 58.56 1u2j h ARG 691 Cb 0.45 0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.11 1u2j h ARG 691 CO 0.03 1.20 0.09 0.00 -1.51 0.00 0.00 179.97 179.78 1u2j h ALA 692 N 0.62 1.62 -0.03 2.80 0.00 -1.19 -2.31 119.26 120.76 1u2j h ALA 692 Ca -0.06 -0.10 -0.21 0.00 0.00 0.00 0.00 54.91 54.54 1u2j h ALA 692 Cb 1.43 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 1u2j h ALA 692 CO 0.16 0.30 -0.86 0.28 0.00 0.00 0.00 179.25 179.13 1u2j h VAL 693 N 0.40 1.39 0.00 0.00 2.07 -1.17 -3.28 116.25 115.66 1u2j h VAL 693 Ca 0.10 -2.33 -0.08 0.00 0.82 0.00 0.00 66.70 65.22 1u2j h VAL 693 Cb 0.13 2.29 -0.01 0.00 -1.52 0.00 0.00 31.29 32.18 1u2j h VAL 693 CO -0.01 0.70 -0.36 0.00 0.02 0.00 0.00 177.57 177.92 1u2j h ALA 694 N 0.81 1.27 0.00 1.67 0.00 -0.62 -2.68 119.26 119.71 1u2j h ALA 694 Ca -0.06 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1u2j h ALA 694 Cb 1.47 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 1u2j h ALA 694 CO 0.15 0.45 -0.02 1.05 0.00 0.00 0.00 179.25 180.88 1u2j h GLU 695 N 0.00 0.00 -0.57 0.00 4.11 -1.55 0.18 114.58 116.75 1u2j h GLU 695 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1u2j h GLU 695 Cb 0.70 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.92 1u2j h GLU 695 CO 0.05 0.02 0.37 0.28 0.07 0.00 0.00 179.01 179.80 1u2j h VAL 696 N 0.00 1.16 0.00 -1.06 2.07 -1.54 -2.69 116.25 114.19 1u2j h VAL 696 Ca -0.00 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1u2j h VAL 696 Cb 0.82 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1u2j h VAL 696 CO 0.00 0.16 -0.48 -1.22 0.02 0.00 0.00 177.57 176.05 1u2j n TYR 697 N -4.67 0.51 1.04 1.57 4.01 -0.86 -2.68 117.16 116.08 1u2j n TYR 697 Ca 0.04 0.15 0.12 0.00 -0.16 0.00 0.00 57.90 58.05 1u2j n TYR 697 Cb 0.03 -0.64 0.24 0.00 -0.31 0.00 0.00 39.34 38.67 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 -1.76 3.56 -1.69 -0.72 0.00 0.59 -4.61 120.51 115.88 1u2j n ALA 698 Ca 0.04 -0.38 -0.40 0.00 0.00 0.00 0.00 53.44 52.70 1u2j n ALA 698 Cb 0.42 -1.10 0.02 0.00 0.00 0.00 0.00 19.45 18.80 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 -1.36 2.26 -0.35 0.00 7.64 -1.02 -4.65 113.62 116.14 1u2j n SER 699 Ca 0.06 1.04 0.16 0.00 1.01 0.00 0.00 58.87 61.14 1u2j n SER 699 Cb 0.34 -1.49 0.37 0.00 -1.01 0.00 0.00 64.21 62.41 1u2j n SER 699 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1u2j h SER 700 N 1.70 0.71 -0.49 6.43 4.64 -1.91 -1.85 113.55 122.78 1u2j h SER 700 Ca -0.48 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1u2j h SER 700 Cb 1.31 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1u2j h SER 700 CO 0.58 0.16 0.00 -0.90 -0.87 0.00 0.00 176.83 175.80 1u2j n ASP 701 N -4.85 4.56 0.01 4.97 5.68 -1.26 -4.64 116.55 121.02 1u2j n ASP 701 Ca 0.26 -2.68 0.11 0.00 -0.50 0.00 0.00 54.79 51.98 1u2j n ASP 701 Cb 0.69 -0.56 -0.10 0.00 -1.14 0.00 0.00 41.12 40.02 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 0.47 3.24 -0.27 2.12 0.00 -0.70 -4.55 120.51 120.81 1u2j n ALA 702 Ca 0.23 -0.47 -0.08 0.00 0.00 0.00 0.00 53.44 53.12 1u2j n ALA 702 Cb 0.92 -0.85 -0.07 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 -1.38 -0.98 0.00 2.76 -1.82 0.51 115.15 114.25 1u2j h HIS 703 Ca 0.00 0.09 0.25 0.00 -2.20 0.00 0.00 60.37 58.51 1u2j h HIS 703 Cb 0.85 0.69 -0.13 0.00 1.55 0.00 0.00 27.41 30.38 1u2j h HIS 703 CO 0.00 -0.29 0.54 0.93 -1.30 0.00 0.00 177.93 177.81 1u2j h GLU 704 N -0.05 0.49 -0.43 5.26 5.08 -1.98 0.51 114.58 123.46 1u2j h GLU 704 Ca 0.11 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.37 1u2j h GLU 704 Cb 0.33 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1u2j h GLU 704 CO -0.65 0.33 0.02 -0.22 -1.00 0.00 0.00 179.01 177.48 1u2j h LYS 705 N 0.51 0.75 -0.34 2.33 1.63 -0.36 -2.75 116.57 118.34 1u2j h LYS 705 Ca 0.63 -0.23 -0.11 0.00 -0.85 0.00 0.00 60.65 60.09 1u2j h LYS 705 Cb 1.23 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.78 1u2j h LYS 705 CO -0.50 0.81 -0.22 0.35 -3.45 0.00 0.00 179.45 176.44 1u2j h PHE 706 N 0.60 0.87 0.30 1.91 3.57 0.24 -1.84 116.94 122.60 1u2j h PHE 706 Ca 0.12 -0.23 -0.01 0.00 3.53 0.00 0.00 57.97 61.38 1u2j h PHE 706 Cb 0.46 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.01 1u2j h PHE 706 CO 0.04 0.98 -0.15 0.28 -2.23 0.00 0.00 178.31 177.22 1u2j h VAL 707 N 0.52 0.71 -0.53 1.41 2.07 -0.98 0.28 116.25 119.73 1u2j h VAL 707 Ca 0.07 -0.09 0.08 0.00 0.82 0.00 0.00 66.70 67.58 1u2j h VAL 707 Cb 0.78 0.76 -0.10 0.00 -1.52 0.00 0.00 31.29 31.21 1u2j h VAL 707 CO 0.06 0.02 -0.43 0.11 0.02 0.00 0.00 177.57 177.35 1u2j h LYS 708 N -0.46 -0.24 -0.21 1.57 1.57 -1.55 0.75 116.57 118.00 1u2j h LYS 708 Ca -0.04 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1u2j h LYS 708 Cb 0.35 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1u2j h LYS 708 CO 0.07 -0.16 0.08 -0.44 -0.57 0.00 0.00 179.45 178.43 1u2j h ASP 709 N -0.25 0.25 0.03 0.86 3.45 -0.91 0.21 116.42 120.06 1u2j h ASP 709 Ca 0.17 -0.02 -0.00 0.00 0.43 0.00 0.00 57.03 57.61 1u2j h ASP 709 Cb 0.57 -0.06 0.00 0.00 -0.56 0.00 0.00 39.33 39.27 1u2j h ASP 709 CO -0.66 0.23 -0.02 0.15 -1.57 0.00 0.00 179.24 177.38 1u2j h PHE 710 N 0.29 -0.04 -0.52 4.55 3.57 0.82 -1.70 116.94 123.91 1u2j h PHE 710 Ca 0.07 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.61 1u2j h PHE 710 Cb 0.06 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.78 1u2j h PHE 710 CO 0.00 0.37 0.29 0.28 -2.23 0.00 0.00 178.31 177.02 1u2j h VAL 711 N -0.46 1.01 -0.52 1.41 2.07 -0.47 1.12 116.25 120.41 1u2j h VAL 711 Ca -0.00 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 67.34 1u2j h VAL 711 Cb 0.43 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 1u2j h VAL 711 CO 0.01 0.10 0.31 0.00 0.02 0.00 0.00 177.57 178.01 1u2j h ALA 712 N 1.25 0.67 0.01 1.67 0.00 -0.57 0.20 119.26 122.48 1u2j h ALA 712 Ca 0.22 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.91 1u2j h ALA 712 Cb 0.07 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1u2j h ALA 712 CO -0.12 0.02 -0.89 0.00 0.00 0.00 0.00 179.25 178.25 1u2j h ALA 713 N 1.23 0.50 -0.25 0.00 0.00 -0.79 -2.23 119.26 117.72 1u2j h ALA 713 Ca 0.21 -0.73 0.02 0.00 0.00 0.00 0.00 54.91 54.41 1u2j h ALA 713 Cb 0.02 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1u2j h ALA 713 CO -0.09 0.92 0.10 2.35 0.00 0.00 0.00 179.25 182.52 1u2j h TRP 714 N 0.11 0.18 0.00 0.00 2.91 0.18 -2.35 115.95 116.98 1u2j h TRP 714 Ca -0.05 0.01 -0.09 0.00 1.13 0.00 0.00 58.89 59.90 1u2j h TRP 714 Cb 1.53 -0.04 -0.01 0.00 -0.51 0.00 0.00 29.16 30.12 1u2j h TRP 714 CO 0.03 0.09 -0.42 0.28 -1.03 0.00 0.00 178.44 177.40 1u2j h VAL 715 N 0.22 1.12 -0.26 2.65 2.07 -0.52 -2.27 116.25 119.26 1u2j h VAL 715 Ca 0.11 -1.51 0.02 0.00 0.82 0.00 0.00 66.70 66.14 1u2j h VAL 715 Cb 0.06 1.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 1u2j h VAL 715 CO -0.10 0.41 0.11 0.50 0.02 0.00 0.00 177.57 178.51 1u2j h LYS 716 N 0.00 0.24 -0.20 1.57 3.64 -1.08 -2.42 116.57 118.32 1u2j h LYS 716 Ca -0.00 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.28 1u2j h LYS 716 Cb 0.82 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.59 1u2j h LYS 716 CO 0.05 0.16 -0.20 0.28 -2.27 0.00 0.00 179.45 177.47 1u2j h VAL 717 N 0.25 1.33 -0.91 2.00 2.07 -1.14 -2.72 116.25 117.13 1u2j h VAL 717 Ca 0.11 -1.37 0.23 0.00 0.82 0.00 0.00 66.70 66.49 1u2j h VAL 717 Cb 0.06 1.76 -0.06 0.00 -1.52 0.00 0.00 31.29 31.53 1u2j h VAL 717 CO -0.10 0.42 0.62 0.24 0.02 0.00 0.00 177.57 178.77 1u2j h MET 718 N 0.17 0.24 -0.37 1.57 2.86 -1.31 -2.44 114.93 115.65 1u2j h MET 718 Ca 0.03 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1u2j h MET 718 Cb 0.75 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.36 1u2j h MET 718 CO 0.05 0.16 0.00 0.09 1.06 0.00 0.00 176.91 178.27 1u2j n ASN 719 N -4.43 3.67 0.12 1.22 3.02 -0.92 -4.67 115.26 113.27 1u2j n ASN 719 Ca 0.19 -2.49 0.12 0.00 -0.03 0.00 0.00 54.58 52.37 1u2j n ASN 719 Cb 0.81 -0.42 0.61 0.00 -0.61 0.00 0.00 39.78 40.18 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 2.33 0.09 -2.54 3.41 3.38 -1.14 -1.12 115.31 119.73 1u2j h LEU 720 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1u2j h LEU 720 Cb 1.16 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1u2j h LEU 720 CO 0.14 0.06 0.00 -0.90 0.09 0.00 0.00 178.44 177.83 1u2j n ASP 721 N -4.48 3.07 -3.58 -0.43 5.75 -1.26 -4.77 116.55 110.85 1u2j n ASP 721 Ca 0.03 -1.92 -0.41 0.00 -0.01 0.00 0.00 54.79 52.49 1u2j n ASP 721 Cb 0.27 -0.25 -0.01 0.00 -1.03 0.00 0.00 41.12 40.10 1u2j n ASP 721 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1u2j n ARG 722 N 0.93 3.00 -0.17 0.11 5.12 -0.43 -4.69 116.66 120.54 1u2j n ARG 722 Ca 0.15 -2.40 -0.09 0.00 -1.93 0.00 0.00 57.85 53.58 1u2j n ARG 722 Cb 0.47 -3.09 0.00 0.00 -1.16 0.00 0.00 32.46 28.68 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 5.83 0.82 -0.76 -1.55 0.04 -1.86 -2.24 116.94 117.21 1u2j h PHE 723 Ca 0.65 -0.11 0.22 0.00 2.80 0.00 0.00 57.97 61.54 1u2j h PHE 723 Cb 0.52 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 38.41 1u2j h PHE 723 CO 1.59 0.75 0.68 0.38 -0.60 0.00 0.00 178.31 181.11 1u2j h ASP 724 N 0.65 0.00 1.50 2.17 3.04 -2.01 -0.92 116.42 120.85 1u2j h ASP 724 Ca 0.15 0.00 -0.09 0.00 -3.24 0.00 0.00 57.03 53.85 1u2j h ASP 724 Cb 0.36 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.64 1u2j h ASP 724 CO 0.01 0.00 -0.51 -0.07 -2.04 0.00 0.00 179.24 176.63 1u2j h LEU 725 N 0.00 0.00 -0.80 0.15 3.38 -1.79 -3.56 115.31 112.69 1u2j h LEU 725 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 1u2j h LEU 725 Cb 1.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.46 1u2j h LEU 725 CO -0.00 0.38 0.00 0.00 0.09 0.00 0.00 178.44 178.91