#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 0.07 -4.00 1.96 5.41 -1.26 -5.07 119.36 116.46 1u2j n ILE 433 Ca 0.00 -0.02 -0.30 0.00 1.00 0.00 0.00 62.75 63.43 1u2j n ILE 433 Cb 0.00 -1.18 -0.05 0.00 -0.71 0.00 0.00 39.64 37.70 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 -2.02 3.31 -0.05 1.39 -0.11 -1.26 -5.10 118.94 115.11 1u2j s TRP 434 Ca -0.02 0.13 -0.01 0.00 1.22 0.00 0.00 56.10 57.43 1u2j s TRP 434 Cb 0.01 -1.66 0.03 0.00 -1.50 0.00 0.00 33.47 30.34 1u2j s TRP 434 CO 0.02 0.54 0.01 -0.65 -4.62 0.00 0.00 176.95 172.26 1u2j s GLN 435 N -2.51 0.35 -0.25 5.86 -1.52 -1.26 -5.11 119.66 115.23 1u2j s GLN 435 Ca 0.32 0.14 -0.21 0.00 -1.95 0.00 0.00 55.36 53.65 1u2j s GLN 435 Cb -0.12 -0.66 -0.02 0.00 -0.22 0.00 0.00 33.01 31.99 1u2j s GLN 435 CO 0.24 -0.22 0.66 -0.51 -0.25 0.00 0.00 175.29 175.21 1u2j s ASP 436 N 1.54 6.63 0.78 5.90 1.01 -1.26 -5.08 116.67 126.18 1u2j s ASP 436 Ca -0.02 0.77 -0.12 0.00 0.71 0.00 0.00 52.55 53.89 1u2j s ASP 436 Cb -0.13 -2.35 0.06 0.00 1.01 0.00 0.00 42.92 41.50 1u2j s ASP 436 CO -0.03 -0.39 1.12 -2.16 0.21 0.00 0.00 175.17 173.93 1u2j s PRO 437 N 2.51 2.27 -0.08 8.23 0.04 -1.26 -5.10 135.00 141.62 1u2j s PRO 437 Ca 0.28 0.38 -0.07 0.00 0.04 0.00 0.00 61.00 61.63 1u2j s PRO 437 Cb -0.15 -1.96 0.02 0.00 0.04 0.00 0.00 34.50 32.44 1u2j s PRO 437 CO 0.08 -1.43 0.21 -0.51 0.04 0.00 0.00 177.00 175.39 1u2j s LEU 438 N -5.58 1.21 0.92 -3.56 2.01 -1.26 -4.98 118.68 107.44 1u2j s LEU 438 Ca 0.60 0.41 -0.12 0.00 0.01 0.00 0.00 54.13 55.04 1u2j s LEU 438 Cb -0.12 0.72 0.14 0.00 0.01 0.00 0.00 46.19 46.94 1u2j s LEU 438 CO 0.52 -0.08 1.09 -2.16 1.01 0.00 0.00 176.35 176.73 1u2j s PRO 439 N 0.08 1.04 0.70 1.29 0.04 -1.26 -5.00 135.00 131.88 1u2j s PRO 439 Ca -0.00 0.83 -0.13 0.00 0.04 0.00 0.00 61.00 61.74 1u2j s PRO 439 Cb -0.02 -1.78 0.02 0.00 0.04 0.00 0.00 34.50 32.76 1u2j s PRO 439 CO 0.00 -2.40 1.09 -0.65 0.04 0.00 0.00 177.00 175.09 1u2j s GLN 440 N -4.89 2.66 0.21 4.56 -1.52 -1.26 -4.90 119.66 114.51 1u2j s GLN 440 Ca 0.64 1.22 -0.30 0.00 -1.95 0.00 0.00 55.36 54.97 1u2j s GLN 440 Cb -0.19 -1.94 -0.09 0.00 -0.22 0.00 0.00 33.01 30.57 1u2j s GLN 440 CO 0.58 -1.34 1.40 -1.25 -0.25 0.00 0.00 175.29 174.42 1u2j s PRO 441 N -4.55 4.31 0.00 2.91 0.04 -1.26 -4.89 135.00 131.57 1u2j s PRO 441 Ca 0.63 2.20 0.07 0.00 0.04 0.00 0.00 61.00 63.94 1u2j s PRO 441 Cb -0.18 -3.15 0.05 0.00 0.04 0.00 0.00 34.50 31.26 1u2j s PRO 441 CO 0.49 -0.37 0.72 0.44 0.04 0.00 0.00 177.00 178.31 1u2j n ILE 442 N 2.68 0.00 -4.08 0.56 -6.64 -1.26 -5.01 119.36 105.61 1u2j n ILE 442 Ca 0.07 -0.49 -0.22 0.00 -1.77 0.00 0.00 62.75 60.34 1u2j n ILE 442 Cb 0.41 1.15 -0.04 0.00 -1.44 0.00 0.00 39.64 39.72 1u2j n ILE 442 CO 0.00 0.00 0.00 -0.31 -1.77 0.00 0.00 176.55 174.47 1u2j s TYR 443 N -0.68 3.19 -0.42 4.28 1.51 -1.26 -5.07 117.35 118.89 1u2j s TYR 443 Ca 0.08 -0.08 0.08 0.00 -1.01 0.00 0.00 57.07 56.15 1u2j s TYR 443 Cb 0.06 -1.45 0.29 0.00 -0.11 0.00 0.00 41.96 40.76 1u2j s TYR 443 CO 0.10 0.51 0.80 -1.71 -1.11 0.00 0.00 175.55 174.14 1u2j n ASN 444 N -1.13 -0.86 -4.65 2.29 4.05 -1.25 -4.99 115.26 108.71 1u2j n ASN 444 Ca -0.08 -3.15 -0.49 0.00 0.45 0.00 0.00 54.58 51.30 1u2j n ASN 444 Cb 0.57 0.49 -0.05 0.00 1.23 0.00 0.00 39.78 42.02 1u2j n ASN 444 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 1u2j n PRO 445 N 0.88 1.72 -1.29 1.20 -0.04 -1.20 -4.99 135.00 131.28 1u2j n PRO 445 Ca 0.16 0.62 -0.30 0.00 -0.04 0.00 0.00 63.50 63.94 1u2j n PRO 445 Cb 0.63 -2.35 0.11 0.00 -0.04 0.00 0.00 33.50 31.85 1u2j n PRO 445 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1u2j s THR 446 N 1.46 2.96 0.24 0.52 2.01 -1.26 -4.90 115.64 116.67 1u2j s THR 446 Ca 0.84 0.31 -0.05 0.00 0.31 0.00 0.00 61.69 63.11 1u2j s THR 446 Cb -0.81 -2.85 0.20 0.00 0.01 0.00 0.00 72.50 69.05 1u2j s THR 446 CO 0.45 -0.41 1.77 -0.33 -0.69 0.00 0.00 174.62 175.42 1u2j h GLU 447 N -1.33 0.60 -0.61 4.92 5.08 -2.00 -2.08 114.58 119.16 1u2j h GLU 447 Ca -0.47 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 57.76 1u2j h GLU 447 Cb 1.26 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 1u2j h GLU 447 CO 0.55 0.40 0.03 0.37 -1.00 0.00 0.00 179.01 179.36 1u2j h GLN 448 N 0.62 1.05 -0.72 2.33 5.75 -1.99 -2.71 115.11 119.43 1u2j h GLN 448 Ca 0.39 -0.32 0.14 0.00 -0.15 0.00 0.00 58.65 58.71 1u2j h GLN 448 Cb 0.47 -0.10 -0.09 0.00 1.07 0.00 0.00 27.48 28.83 1u2j h GLN 448 CO -0.31 1.01 0.27 -0.44 -2.65 0.00 0.00 178.83 176.71 1u2j h ASP 449 N 0.95 0.22 0.02 -0.69 3.45 -1.77 0.54 116.42 119.15 1u2j h ASP 449 Ca 0.18 0.11 -0.18 0.00 0.43 0.00 0.00 57.03 57.57 1u2j h ASP 449 Cb 0.52 0.10 -0.00 0.00 -0.56 0.00 0.00 39.33 39.39 1u2j h ASP 449 CO 0.02 0.09 -0.64 0.40 -1.57 0.00 0.00 179.24 177.54 1u2j h ILE 450 N 0.41 1.32 -0.58 0.35 2.04 -1.23 -0.01 117.51 119.82 1u2j h ILE 450 Ca 0.39 -1.92 -0.02 0.00 1.00 0.00 0.00 64.86 64.32 1u2j h ILE 450 Cb 0.59 1.89 -0.03 0.00 -0.74 0.00 0.00 36.82 38.53 1u2j h ILE 450 CO -0.40 0.60 0.28 0.40 0.00 0.00 0.00 178.15 179.02 1u2j h ILE 451 N 0.43 1.21 -0.31 -0.67 2.04 -1.14 0.14 117.51 119.20 1u2j h ILE 451 Ca -0.01 -0.58 -0.02 0.00 1.00 0.00 0.00 64.86 65.25 1u2j h ILE 451 Cb 1.22 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 1u2j h ILE 451 CO 0.12 0.24 0.13 0.44 0.00 0.00 0.00 178.15 179.08 1u2j h ASP 452 N 0.78 0.43 -0.54 1.72 3.32 -0.07 0.10 116.42 122.17 1u2j h ASP 452 Ca 0.20 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 1u2j h ASP 452 Cb 0.12 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 1u2j h ASP 452 CO -0.03 0.48 0.31 -0.07 -1.72 0.00 0.00 179.24 178.21 1u2j h LEU 453 N 0.36 0.66 -1.12 1.55 3.38 -0.99 0.22 115.31 119.37 1u2j h LEU 453 Ca 0.11 -0.08 0.19 0.00 0.09 0.00 0.00 57.88 58.19 1u2j h LEU 453 Cb 0.18 -0.17 -0.10 0.00 0.09 0.00 0.00 40.66 40.66 1u2j h LEU 453 CO -0.01 0.55 0.61 0.50 0.09 0.00 0.00 178.44 180.19 1u2j h LYS 454 N 0.72 0.68 0.11 1.13 3.64 -0.30 0.43 116.57 122.98 1u2j h LYS 454 Ca 0.19 -0.04 -0.29 0.00 -1.27 0.00 0.00 60.65 59.24 1u2j h LYS 454 Cb 0.03 -0.15 0.03 0.00 -0.41 0.00 0.00 32.23 31.72 1u2j h LYS 454 CO -0.03 0.45 -1.22 0.35 -2.27 0.00 0.00 179.45 176.73 1u2j h PHE 455 N 0.70 0.96 -0.10 1.91 3.57 0.38 -0.60 116.94 123.76 1u2j h PHE 455 Ca 0.55 -0.60 -0.11 0.00 3.53 0.00 0.00 57.97 61.34 1u2j h PHE 455 Cb 0.95 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.60 1u2j h PHE 455 CO -0.00 1.44 -0.45 0.00 -2.23 0.00 0.00 178.31 177.07 1u2j h ALA 456 N 0.35 1.07 -0.26 2.41 0.00 0.17 -0.98 119.26 122.01 1u2j h ALA 456 Ca -0.17 -0.44 -0.08 0.00 0.00 0.00 0.00 54.91 54.22 1u2j h ALA 456 Cb 1.89 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.58 1u2j h ALA 456 CO 0.23 0.61 -0.14 0.82 0.00 0.00 0.00 179.25 180.78 1u2j h ILE 457 N 0.19 1.30 0.00 0.00 2.04 -0.18 -2.82 117.51 118.04 1u2j h ILE 457 Ca 0.01 -1.23 -0.02 0.00 1.00 0.00 0.00 64.86 64.63 1u2j h ILE 457 Cb 0.87 1.54 -0.00 0.00 -0.74 0.00 0.00 36.82 38.48 1u2j h ILE 457 CO 0.07 0.39 -0.08 0.00 0.00 0.00 0.00 178.15 178.53 1u2j h ALA 458 N 0.73 1.03 -0.60 1.87 0.00 -0.91 -2.58 119.26 118.80 1u2j h ALA 458 Ca 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1u2j h ALA 458 Cb 0.65 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1u2j h ALA 458 CO 0.04 0.10 0.00 -3.47 0.00 0.00 0.00 179.25 175.92 1u2j n ASP 459 N -3.23 3.95 -0.12 0.00 4.64 -0.39 -4.67 116.55 116.73 1u2j n ASP 459 Ca 0.00 -2.17 0.13 0.00 -1.38 0.00 0.00 54.79 51.37 1u2j n ASP 459 Cb 0.33 -0.46 0.40 0.00 -1.04 0.00 0.00 41.12 40.35 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 1.16 0.66 0.00 1.67 3.41 -0.97 -4.94 113.62 114.61 1u2j n SER 460 Ca 0.22 -0.51 0.00 0.00 -0.26 0.00 0.00 58.87 58.32 1u2j n SER 460 Cb 0.66 0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.70 1u2j n SER 460 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1u2j n GLY 461 N 1.39 2.54 3.72 5.00 0.00 -1.26 -5.05 105.19 111.54 1u2j n GLY 461 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 4.38 0.77 0.99 1.43 -1.26 -5.01 118.68 119.97 1u2j s LEU 462 Ca 0.00 2.53 -0.11 0.00 -1.03 0.00 0.00 54.13 55.53 1u2j s LEU 462 Cb 0.00 -3.60 0.05 0.00 0.03 0.00 0.00 46.19 42.68 1u2j s LEU 462 CO 0.00 -0.74 1.09 -0.94 0.23 0.00 0.00 176.35 175.99 1u2j s SER 463 N 0.95 4.58 0.20 2.29 1.04 -1.26 -4.82 113.70 116.68 1u2j s SER 463 Ca 0.66 1.75 -0.19 0.00 0.48 0.00 0.00 55.95 58.65 1u2j s SER 463 Cb -0.41 -2.48 0.17 0.00 0.10 0.00 0.00 66.02 63.40 1u2j s SER 463 CO 0.33 -1.97 1.59 0.58 0.98 0.00 0.00 173.24 174.75 1u2j h VAL 464 N -1.09 0.18 -0.58 5.02 2.07 -1.92 -0.88 116.25 119.05 1u2j h VAL 464 Ca -0.44 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.19 1u2j h VAL 464 Cb 1.23 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 1u2j h VAL 464 CO 0.53 0.00 0.39 0.28 0.02 0.00 0.00 177.57 178.79 1u2j h SER 465 N -0.11 0.28 0.37 0.57 0.02 -1.87 -0.31 113.55 112.50 1u2j h SER 465 Ca 0.27 0.01 -0.32 0.00 -0.84 0.00 0.00 61.79 60.90 1u2j h SER 465 Cb 0.55 -0.05 0.03 0.00 0.14 0.00 0.00 62.40 63.07 1u2j h SER 465 CO -0.72 0.17 -1.43 -0.33 -1.14 0.00 0.00 176.83 173.38 1u2j h GLU 466 N 0.31 0.45 -0.66 3.45 5.08 -1.66 -2.14 114.58 119.43 1u2j h GLU 466 Ca 0.27 -0.78 0.02 0.00 -1.00 0.00 0.00 59.36 57.87 1u2j h GLU 466 Cb 0.65 0.29 -0.03 0.00 0.50 0.00 0.00 28.75 30.15 1u2j h GLU 466 CO -0.06 1.37 0.43 -0.07 -1.00 0.00 0.00 179.01 179.68 1u2j h LEU 467 N 0.12 0.72 0.23 1.33 3.38 0.20 -2.84 115.31 118.46 1u2j h LEU 467 Ca -0.23 -0.01 -0.32 0.00 0.09 0.00 0.00 57.88 57.40 1u2j h LEU 467 Cb 2.11 -0.18 0.03 0.00 0.09 0.00 0.00 40.66 42.72 1u2j h LEU 467 CO 0.25 0.51 -1.44 0.58 0.09 0.00 0.00 178.44 178.43 1u2j h VAL 468 N 0.85 1.32 -0.44 1.22 2.07 -1.05 -2.96 116.25 117.25 1u2j h VAL 468 Ca 0.25 -2.78 -0.05 0.00 0.82 0.00 0.00 66.70 64.93 1u2j h VAL 468 Cb -0.03 3.01 -0.02 0.00 -1.52 0.00 0.00 31.29 32.73 1u2j h VAL 468 CO -0.06 0.83 0.07 0.28 0.02 0.00 0.00 177.57 178.71 1u2j h SER 469 N 0.13 0.70 -0.64 0.57 0.02 -1.32 0.96 113.55 113.97 1u2j h SER 469 Ca -0.23 -0.26 -0.08 0.00 -0.84 0.00 0.00 61.79 60.37 1u2j h SER 469 Cb 2.13 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 64.45 1u2j h SER 469 CO 0.26 0.79 0.08 1.62 -1.14 0.00 0.00 176.83 178.44 1u2j h VAL 470 N 0.59 1.26 -0.07 2.27 3.04 -1.57 1.34 116.25 123.11 1u2j h VAL 470 Ca 0.13 -1.06 -0.14 0.00 -1.01 0.00 0.00 66.70 64.62 1u2j h VAL 470 Cb 0.39 0.67 -0.01 0.00 -2.01 0.00 0.00 31.29 30.33 1u2j h VAL 470 CO 0.01 0.39 -0.60 0.00 -1.01 0.00 0.00 177.57 176.36 1u2j h ALA 471 N 1.07 0.86 -0.04 3.17 0.00 -1.37 -2.07 119.26 120.88 1u2j h ALA 471 Ca 0.20 -0.54 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 1u2j h ALA 471 Cb 0.46 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1u2j h ALA 471 CO 0.02 0.73 -0.20 2.35 0.00 0.00 0.00 179.25 182.15 1u2j h TRP 472 N 0.17 0.27 -0.21 0.00 2.91 -0.31 -1.27 115.95 117.52 1u2j h TRP 472 Ca -0.01 -0.12 0.05 0.00 1.13 0.00 0.00 58.89 59.94 1u2j h TRP 472 Cb 1.10 -0.04 -0.01 0.00 -0.51 0.00 0.00 29.16 29.70 1u2j h TRP 472 CO 0.02 0.84 0.15 0.00 -1.03 0.00 0.00 178.44 178.41 1u2j h ALA 473 N 0.38 2.11 0.09 2.65 0.00 0.18 -0.95 119.26 123.73 1u2j h ALA 473 Ca -0.01 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.64 1u2j h ALA 473 Cb 0.87 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.67 1u2j h ALA 473 CO 0.04 -0.16 -1.04 1.03 0.00 0.00 0.00 179.25 179.11 1u2j h SER 474 N 0.07 0.75 0.82 0.00 0.87 -1.24 -3.36 113.55 111.46 1u2j h SER 474 Ca 0.09 -0.83 -0.24 0.00 -1.23 0.00 0.00 61.79 59.59 1u2j h SER 474 Cb 0.30 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 61.99 1u2j h SER 474 CO -0.01 1.50 -1.22 0.00 -0.53 0.00 0.00 176.83 176.58 1u2j h ALA 475 N 0.26 0.43 -0.00 6.23 0.00 0.02 -3.20 119.26 123.00 1u2j h ALA 475 Ca -0.16 -1.05 0.00 0.00 0.00 0.00 0.00 54.91 53.70 1u2j h ALA 475 Cb 1.75 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.57 1u2j h ALA 475 CO 0.20 1.30 -0.01 -1.13 0.00 0.00 0.00 179.25 179.62 1u2j n SER 476 N -3.30 0.18 0.00 0.00 3.41 -0.67 -3.39 113.62 109.84 1u2j n SER 476 Ca -0.06 -0.92 0.12 0.00 -0.26 0.00 0.00 58.87 57.75 1u2j n SER 476 Cb 0.98 -0.04 0.68 0.00 -0.26 0.00 0.00 64.21 65.57 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 -0.91 0.03 -2.06 6.66 -2.24 -1.26 -4.86 114.28 109.65 1u2j n THR 477 Ca 0.22 0.01 -0.32 0.00 -2.27 0.00 0.00 64.05 61.69 1u2j n THR 477 Cb 0.16 -0.64 -0.00 0.00 -2.10 0.00 0.00 70.33 67.74 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 -2.06 3.49 -0.11 4.78 5.36 -1.22 -4.34 117.98 123.87 1u2j s PHE 478 Ca 0.33 1.38 -0.05 0.00 -0.96 0.00 0.00 56.93 57.64 1u2j s PHE 478 Cb 0.16 -2.78 0.06 0.00 -0.34 0.00 0.00 43.02 40.12 1u2j s PHE 478 CO 0.28 -0.63 0.24 1.03 -1.46 0.00 0.00 175.22 174.67 1u2j s ARG 479 N -4.68 0.14 0.59 10.12 0.52 -0.65 -4.48 118.95 120.51 1u2j s ARG 479 Ca 0.57 0.64 -0.18 0.00 -0.52 0.00 0.00 55.73 56.24 1u2j s ARG 479 Cb -0.11 -0.10 -0.03 0.00 0.52 0.00 0.00 34.95 35.22 1u2j s ARG 479 CO 0.44 -0.25 1.17 0.20 0.02 0.00 0.00 175.30 176.88 1u2j s GLY 480 N 2.02 2.60 0.00 -3.53 0.00 0.19 0.15 107.32 108.75 1u2j s GLY 480 Ca -0.02 0.87 0.00 0.00 0.00 0.00 0.00 44.72 45.57 1u2j s GLY 480 CO -0.08 1.25 0.00 0.61 0.00 0.00 0.00 173.10 174.88 1u2j n GLY 481 N 0.24 1.96 0.25 0.20 0.00 -1.26 -4.29 105.19 102.28 1u2j n GLY 481 Ca 0.12 -0.15 -0.07 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.67 -0.94 1.61 -0.00 -2.00 -3.46 116.42 110.95 1u2j h ASP 482 Ca 0.00 0.14 -0.25 0.00 -0.00 0.00 0.00 57.03 56.92 1u2j h ASP 482 Cb 0.00 0.35 -0.07 0.00 -0.00 0.00 0.00 39.33 39.60 1u2j h ASP 482 CO 0.00 -0.24 -0.26 0.29 -0.00 0.00 0.00 179.24 179.04 1u2j n LYS 483 N -5.37 -0.89 -3.30 0.28 4.01 0.12 -4.79 118.16 108.23 1u2j n LYS 483 Ca 0.01 0.83 -0.28 0.00 -0.51 0.00 0.00 58.31 58.36 1u2j n LYS 483 Cb 0.28 -4.90 -0.03 0.00 -0.51 0.00 0.00 35.03 29.87 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 -3.52 3.62 0.17 1.97 0.52 -1.22 -4.89 118.95 115.59 1u2j s ARG 484 Ca 0.00 -0.01 0.00 0.00 -0.52 0.00 0.00 55.73 55.20 1u2j s ARG 484 Cb 0.00 -2.63 0.00 0.00 0.52 0.00 0.00 34.95 32.84 1u2j s ARG 484 CO 0.00 0.18 0.00 0.41 0.02 0.00 0.00 175.30 175.91 1u2j n GLY 485 N -1.08 -2.82 0.00 -3.53 0.00 -1.26 -1.64 105.19 94.85 1u2j n GLY 485 Ca -0.02 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.14 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 -0.21 1.24 0.14 -0.02 0.00 -1.26 -4.68 105.19 100.39 1u2j n GLY 486 Ca 0.00 -2.22 0.12 0.00 0.00 0.00 0.00 46.02 43.92 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 0.79 -2.67 4.61 0.00 -1.73 -3.44 119.26 116.82 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 0.05 0.00 0.00 0.00 0.00 17.79 17.84 1u2j h ALA 487 CO 0.00 0.00 0.80 1.21 0.00 0.00 0.00 179.25 181.26 1u2j s ASN 488 N -5.22 6.64 0.00 0.00 3.84 -1.26 -1.89 114.94 117.05 1u2j s ASN 488 Ca 0.06 2.62 0.00 0.00 0.21 0.00 0.00 52.86 55.75 1u2j s ASN 488 Cb 0.09 -2.61 0.00 0.00 -0.55 0.00 0.00 41.25 38.19 1u2j s ASN 488 CO 0.69 -0.75 0.00 0.61 -2.79 0.00 0.00 177.10 174.87 1u2j n GLY 489 N 2.94 1.95 3.80 1.21 0.00 -0.30 -4.52 105.19 110.26 1u2j n GLY 489 Ca 0.10 0.00 -0.29 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 -1.61 -1.15 0.35 4.61 0.00 -0.79 0.40 120.51 122.31 1u2j n ALA 490 Ca 0.00 0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.58 1u2j n ALA 490 Cb 0.00 -2.95 0.53 0.00 0.00 0.00 0.00 19.45 17.03 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 -1.13 0.00 -0.82 0.00 3.08 -1.81 -1.12 114.38 112.57 1u2j h ARG 491 Ca -0.49 0.00 0.24 0.00 0.07 0.00 0.00 59.98 59.80 1u2j h ARG 491 Cb 1.32 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.34 1u2j h ARG 491 CO 0.64 0.00 0.62 1.25 -1.07 0.00 0.00 179.97 181.41 1u2j h LEU 492 N 0.00 0.00 0.00 3.04 5.85 -1.90 -1.42 115.31 120.88 1u2j h LEU 492 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1u2j h LEU 492 Cb 0.31 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.34 1u2j h LEU 492 CO 0.00 0.00 -0.29 0.00 -0.34 0.00 0.00 178.44 177.81 1u2j h ALA 493 N 1.54 0.85 -1.14 1.25 0.00 -1.56 -3.14 119.26 117.05 1u2j h ALA 493 Ca 0.39 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.83 1u2j h ALA 493 Cb 1.62 0.00 0.07 0.00 0.00 0.00 0.00 17.79 19.48 1u2j h ALA 493 CO -0.00 0.00 0.06 -0.51 0.00 0.00 0.00 179.25 178.80 1u2j s LEU 494 N -5.75 2.99 0.00 0.00 1.43 -0.53 -4.74 118.68 112.08 1u2j s LEU 494 Ca 0.05 -0.53 -0.08 0.00 -1.03 0.00 0.00 54.13 52.54 1u2j s LEU 494 Cb 0.07 -1.81 -0.05 0.00 0.03 0.00 0.00 46.19 44.43 1u2j s LEU 494 CO 0.70 -1.78 0.29 -0.04 0.23 0.00 0.00 176.35 175.75 1u2j s MET 495 N -5.04 3.63 0.00 1.70 -1.94 -1.26 0.52 119.30 116.92 1u2j s MET 495 Ca 0.66 0.02 0.25 0.00 -1.71 0.00 0.00 55.69 54.91 1u2j s MET 495 Cb -0.05 -3.10 0.47 0.00 2.01 0.00 0.00 34.83 34.16 1u2j s MET 495 CO 0.43 0.65 1.39 -0.35 -0.01 0.00 0.00 175.02 177.14 1u2j n PRO 496 N 1.27 1.14 -0.35 2.03 -0.04 -1.26 -4.77 135.00 133.02 1u2j n PRO 496 Ca -0.12 -0.81 0.09 0.00 -0.04 0.00 0.00 63.50 62.62 1u2j n PRO 496 Cb 0.53 -1.48 0.26 0.00 -0.04 0.00 0.00 33.50 32.77 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 1.98 0.84 -0.97 0.54 4.20 -1.72 -1.43 115.11 118.56 1u2j h GLN 497 Ca 0.00 -0.05 0.14 0.00 0.06 0.00 0.00 58.65 58.80 1u2j h GLN 497 Cb 0.63 -0.19 -0.08 0.00 0.30 0.00 0.00 27.48 28.14 1u2j h GLN 497 CO 0.00 0.55 0.61 -0.09 -0.67 0.00 0.00 178.83 179.24 1u2j h ARG 498 N 0.86 0.82 -0.01 1.46 2.43 0.12 -0.82 114.38 119.24 1u2j h ARG 498 Ca 0.52 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.64 1u2j h ARG 498 Cb 0.65 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 1u2j h ARG 498 CO -0.32 0.54 -0.24 -0.25 -1.51 0.00 0.00 179.97 178.20 1u2j n ASP 499 N -4.62 1.14 -4.72 -3.80 8.00 -0.55 -4.77 116.55 107.24 1u2j n ASP 499 Ca 0.19 -0.99 -0.43 0.00 0.71 0.00 0.00 54.79 54.27 1u2j n ASP 499 Cb 0.44 0.14 -0.03 0.00 -0.02 0.00 0.00 41.12 41.65 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 -0.52 2.66 -0.32 1.24 8.01 -0.32 -4.85 117.44 123.35 1u2j n TRP 500 Ca 0.13 0.17 0.15 0.00 -1.31 0.00 0.00 57.50 56.64 1u2j n TRP 500 Cb 0.36 -2.61 0.31 0.00 -2.01 0.00 0.00 31.31 27.36 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 5.82 -0.19 0.04 -0.99 3.45 -1.92 0.22 116.42 122.84 1u2j h ASP 501 Ca -0.45 0.24 0.00 0.00 0.43 0.00 0.00 57.03 57.25 1u2j h ASP 501 Cb 1.22 0.36 0.00 0.00 -0.56 0.00 0.00 39.33 40.36 1u2j h ASP 501 CO 0.88 -0.27 0.00 0.52 -1.57 0.00 0.00 179.24 178.80 1u2j n VAL 502 N -5.35 0.02 0.43 -1.35 0.31 -1.26 -3.34 118.33 107.79 1u2j n VAL 502 Ca 0.23 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.62 1u2j n VAL 502 Cb 0.77 -0.60 0.03 0.00 -0.91 0.00 0.00 33.84 33.13 1u2j n VAL 502 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1u2j n ASN 503 N -1.02 1.60 0.16 4.52 3.02 0.76 -4.78 115.26 119.53 1u2j n ASN 503 Ca 0.19 -1.30 0.13 0.00 -0.03 0.00 0.00 54.58 53.57 1u2j n ASN 503 Cb 0.10 0.18 0.56 0.00 -0.61 0.00 0.00 39.78 40.01 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 1.89 1.00 -0.26 5.41 0.00 -1.60 0.15 119.26 125.86 1u2j h ALA 504 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1u2j h ALA 504 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1u2j h ALA 504 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 1u2j n ALA 505 N -1.83 2.32 0.01 0.00 0.00 -1.26 -3.73 120.51 116.01 1u2j n ALA 505 Ca 0.01 -0.95 -0.22 0.00 0.00 0.00 0.00 53.44 52.28 1u2j n ALA 505 Cb 0.21 -0.50 -0.14 0.00 0.00 0.00 0.00 19.45 19.02 1u2j n ALA 505 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u2j h ALA 506 N 2.53 0.26 0.00 0.00 0.00 -1.03 -3.42 119.26 117.59 1u2j h ALA 506 Ca 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 54.91 53.71 1u2j h ALA 506 Cb 0.69 0.57 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1u2j h ALA 506 CO 0.00 1.00 0.00 -0.24 0.00 0.00 0.00 179.25 180.01 1u2j h VAL 507 N -0.18 0.00 0.00 0.00 3.04 -1.40 -0.99 116.25 116.72 1u2j h VAL 507 Ca -0.35 -0.28 0.00 0.00 -1.01 0.00 0.00 66.70 65.06 1u2j h VAL 507 Cb 1.87 1.06 0.00 0.00 -2.01 0.00 0.00 31.29 32.21 1u2j h VAL 507 CO 0.07 0.00 -0.43 0.54 -1.01 0.00 0.00 177.57 176.74 1u2j n ARG 508 N -2.43 0.11 0.15 4.17 1.74 -1.26 -1.74 116.66 117.41 1u2j n ARG 508 Ca 0.02 0.04 0.06 0.00 -0.77 0.00 0.00 57.85 57.19 1u2j n ARG 508 Cb 0.24 -1.58 0.06 0.00 -1.02 0.00 0.00 32.46 30.16 1u2j n ARG 508 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1u2j h ALA 509 N 2.81 0.76 -0.46 7.54 0.00 -1.46 -3.39 119.26 125.07 1u2j h ALA 509 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1u2j h ALA 509 Cb 0.59 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1u2j h ALA 509 CO 0.00 0.41 0.30 -0.07 0.00 0.00 0.00 179.25 179.89 1u2j h LEU 510 N 0.00 0.53 -1.14 0.00 3.38 -1.32 -2.06 115.31 114.71 1u2j h LEU 510 Ca -0.02 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1u2j h LEU 510 Cb 1.26 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.84 1u2j h LEU 510 CO 0.04 0.40 0.42 -0.65 0.09 0.00 0.00 178.44 178.73 1u2j h PRO 511 N 0.62 1.01 -0.44 1.13 0.11 -1.76 0.65 132.00 133.32 1u2j h PRO 511 Ca 0.17 -0.10 -0.03 0.00 0.11 0.00 0.00 66.00 66.14 1u2j h PRO 511 Cb -0.06 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 30.83 1u2j h PRO 511 CO -0.04 0.73 0.15 0.28 -0.21 0.00 0.00 178.00 178.92 1u2j h VAL 512 N 1.02 1.21 -0.05 3.15 2.07 -1.68 -0.73 116.25 121.25 1u2j h VAL 512 Ca 0.26 -0.68 -0.14 0.00 0.82 0.00 0.00 66.70 66.96 1u2j h VAL 512 Cb 0.00 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1u2j h VAL 512 CO -0.04 0.25 -0.59 -0.07 0.02 0.00 0.00 177.57 177.13 1u2j h LEU 513 N 0.57 0.19 -0.76 2.57 3.38 -0.64 -2.08 115.31 118.54 1u2j h LEU 513 Ca 0.14 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 1u2j h LEU 513 Cb 0.23 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1u2j h LEU 513 CO -0.01 0.74 -0.25 -0.33 0.09 0.00 0.00 178.44 178.68 1u2j h GLU 514 N 0.13 0.67 -0.31 1.13 5.08 0.58 -0.81 114.58 121.04 1u2j h GLU 514 Ca -0.00 -0.27 -0.13 0.00 -1.00 0.00 0.00 59.36 57.95 1u2j h GLU 514 Cb 1.08 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.29 1u2j h GLU 514 CO 0.09 0.86 -0.32 -0.22 -1.00 0.00 0.00 179.01 178.42 1u2j h LYS 515 N 0.59 0.76 -0.63 2.33 3.64 -1.05 -1.03 116.57 121.17 1u2j h LYS 515 Ca 0.08 -0.41 0.02 0.00 -1.27 0.00 0.00 60.65 59.08 1u2j h LYS 515 Cb 0.73 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.53 1u2j h LYS 515 CO 0.06 1.03 0.39 0.82 -2.27 0.00 0.00 179.45 179.48 1u2j h ILE 516 N 0.53 1.09 -0.12 2.00 2.04 -1.29 -0.96 117.51 120.80 1u2j h ILE 516 Ca 0.05 -0.27 -0.00 0.00 1.00 0.00 0.00 64.86 65.64 1u2j h ILE 516 Cb 0.89 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 1u2j h ILE 516 CO 0.08 0.14 0.06 -0.61 0.00 0.00 0.00 178.15 177.82 1u2j h GLN 517 N 0.78 0.17 0.02 2.37 -0.00 -0.91 -0.25 115.11 117.29 1u2j h GLN 517 Ca 0.25 -0.02 0.03 0.00 -0.00 0.00 0.00 58.65 58.90 1u2j h GLN 517 Cb 0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 27.48 27.40 1u2j h GLN 517 CO -0.09 0.21 -0.47 0.87 0.00 0.00 0.00 178.83 179.35 1u2j h LYS 518 N 0.08 -0.61 0.00 1.69 1.57 -0.94 -1.47 116.57 116.90 1u2j h LYS 518 Ca 0.04 0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 1u2j h LYS 518 Cb 0.09 0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 1u2j h LYS 518 CO -0.01 -0.41 -0.16 0.93 -0.57 0.00 0.00 179.45 179.24 1u2j h GLU 519 N -0.63 0.00 0.00 3.15 5.08 -0.95 -3.28 114.58 117.95 1u2j h GLU 519 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1u2j h GLU 519 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1u2j h GLU 519 CO -0.32 0.16 -0.23 1.03 -1.00 0.00 0.00 179.01 178.64 1u2j h SER 520 N 0.00 0.00 -0.01 1.42 0.87 -0.65 -3.48 113.55 111.69 1u2j h SER 520 Ca -0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1u2j h SER 520 Cb 0.35 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.31 1u2j h SER 520 CO 0.02 0.59 -0.01 0.61 -0.53 0.00 0.00 176.83 177.51 1u2j n GLY 521 N 1.71 0.47 0.01 5.77 0.00 -0.59 -4.87 105.19 107.69 1u2j n GLY 521 Ca -0.03 -0.17 0.10 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.74 0.61 -3.88 1.61 4.76 -1.26 -5.01 118.16 112.25 1u2j n LYS 522 Ca -0.00 -0.14 -0.10 0.00 -2.87 0.00 0.00 58.31 55.20 1u2j n LYS 522 Cb 0.04 -1.46 -0.08 0.00 -1.84 0.00 0.00 35.03 31.69 1u2j n LYS 522 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1u2j s ALA 523 N -3.26 -0.21 0.81 7.82 0.00 -1.26 -3.22 121.76 122.43 1u2j s ALA 523 Ca -0.04 -0.46 -0.11 0.00 0.00 0.00 0.00 51.96 51.34 1u2j s ALA 523 Cb 0.13 0.31 0.08 0.00 0.00 0.00 0.00 23.12 23.64 1u2j s ALA 523 CO 0.81 -0.38 1.12 -1.54 0.00 0.00 0.00 175.76 175.78 1u2j s SER 524 N -2.29 3.96 0.49 0.00 1.04 -1.26 -4.90 113.70 110.74 1u2j s SER 524 Ca -0.03 2.02 0.19 0.00 0.48 0.00 0.00 55.95 58.62 1u2j s SER 524 Cb 0.00 -2.55 1.21 0.00 0.10 0.00 0.00 66.02 64.79 1u2j s SER 524 CO -0.06 -2.41 2.05 0.25 0.98 0.00 0.00 173.24 174.06 1u2j h LEU 525 N -1.21 0.00 0.17 2.42 5.85 -1.91 -2.35 115.31 118.27 1u2j h LEU 525 Ca -0.44 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.27 1u2j h LEU 525 Cb 1.25 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.28 1u2j h LEU 525 CO 0.48 0.13 -0.08 0.00 -0.34 0.00 0.00 178.44 178.63 1u2j h ALA 526 N 1.87 -0.22 -0.63 1.25 0.00 -1.84 -1.65 119.26 118.04 1u2j h ALA 526 Ca -0.00 -0.23 0.12 0.00 0.00 0.00 0.00 54.91 54.80 1u2j h ALA 526 Cb 0.26 0.09 -0.12 0.00 0.00 0.00 0.00 17.79 18.01 1u2j h ALA 526 CO 0.02 -0.32 -0.20 -0.44 0.00 0.00 0.00 179.25 178.30 1u2j h ASP 527 N -0.83 -0.74 0.20 0.00 3.32 -1.77 -2.41 116.42 114.20 1u2j h ASP 527 Ca -0.02 0.20 -0.02 0.00 0.02 0.00 0.00 57.03 57.21 1u2j h ASP 527 Cb 0.53 0.44 -0.00 0.00 0.22 0.00 0.00 39.33 40.52 1u2j h ASP 527 CO 0.04 -0.24 -0.10 0.40 -1.72 0.00 0.00 179.24 177.61 1u2j h ILE 528 N -0.05 0.76 0.04 0.35 2.04 -1.23 0.28 117.51 119.71 1u2j h ILE 528 Ca 0.29 -0.41 -0.24 0.00 1.00 0.00 0.00 64.86 65.51 1u2j h ILE 528 Cb 0.50 1.24 0.02 0.00 -0.74 0.00 0.00 36.82 37.84 1u2j h ILE 528 CO -0.67 0.10 -0.96 0.40 0.00 0.00 0.00 178.15 177.02 1u2j h ILE 529 N 0.00 1.34 -0.53 -0.67 2.04 -0.99 -1.49 117.51 117.21 1u2j h ILE 529 Ca -0.00 -2.28 -0.03 0.00 1.00 0.00 0.00 64.86 63.55 1u2j h ILE 529 Cb 0.23 2.59 -0.02 0.00 -0.74 0.00 0.00 36.82 38.88 1u2j h ILE 529 CO 0.01 0.69 0.20 0.58 0.00 0.00 0.00 178.15 179.63 1u2j h VAL 530 N 0.17 1.22 -0.45 1.67 2.07 -0.79 -2.89 116.25 117.25 1u2j h VAL 530 Ca -0.13 -0.69 -0.02 0.00 0.82 0.00 0.00 66.70 66.68 1u2j h VAL 530 Cb 1.65 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 32.08 1u2j h VAL 530 CO 0.19 0.26 0.20 0.25 0.02 0.00 0.00 177.57 178.49 1u2j h LEU 531 N 0.71 0.56 -1.40 2.57 5.85 -0.51 -0.01 115.31 123.09 1u2j h LEU 531 Ca 0.18 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.85 1u2j h LEU 531 Cb 0.21 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 1u2j h LEU 531 CO -0.01 0.50 0.41 0.00 -0.34 0.00 0.00 178.44 178.99 1u2j h ALA 532 N 1.59 1.57 -0.12 1.25 0.00 -1.08 0.21 119.26 122.69 1u2j h ALA 532 Ca 0.16 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.85 1u2j h ALA 532 Cb 0.09 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1u2j h ALA 532 CO -0.02 0.39 -0.66 0.78 0.00 0.00 0.00 179.25 179.74 1u2j h GLY 533 N 0.82 0.54 0.96 0.00 0.00 -0.87 -1.17 103.07 103.36 1u2j h GLY 533 Ca 0.23 -0.71 -0.00 0.00 0.00 0.00 0.00 47.33 46.85 1u2j h GLY 533 CO -0.05 0.63 0.13 -2.08 0.00 0.00 0.00 176.54 175.18 1u2j h VAL 534 N 0.35 1.11 -0.40 4.60 2.07 0.49 -1.58 116.25 122.89 1u2j h VAL 534 Ca -0.02 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 1u2j h VAL 534 Cb 1.23 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 1u2j h VAL 534 CO 0.12 0.10 0.21 0.58 0.02 0.00 0.00 177.57 178.61 1u2j h VAL 535 N 0.28 1.16 -0.42 2.57 2.07 -0.47 0.03 116.25 121.47 1u2j h VAL 535 Ca 0.08 -0.42 0.09 0.00 0.82 0.00 0.00 66.70 67.27 1u2j h VAL 535 Cb 0.05 0.70 -0.09 0.00 -1.52 0.00 0.00 31.29 30.43 1u2j h VAL 535 CO -0.01 0.17 -0.18 1.23 0.02 0.00 0.00 177.57 178.79 1u2j h GLY 536 N 0.52 0.15 1.33 2.17 0.00 -1.05 0.45 103.07 106.64 1u2j h GLY 536 Ca 0.14 0.23 -0.15 0.00 0.00 0.00 0.00 47.33 47.56 1u2j h GLY 536 CO -0.02 -0.19 -0.40 -2.08 0.00 0.00 0.00 176.54 173.84 1u2j h VAL 537 N -0.10 1.29 -0.61 4.60 2.07 -0.79 0.77 116.25 123.49 1u2j h VAL 537 Ca 0.20 -1.58 -0.03 0.00 0.82 0.00 0.00 66.70 66.11 1u2j h VAL 537 Cb 0.41 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.64 1u2j h VAL 537 CO -0.48 0.51 0.26 -0.33 0.02 0.00 0.00 177.57 177.54 1u2j h GLU 538 N 0.60 0.90 -0.80 1.57 5.08 -0.58 -1.04 114.58 120.31 1u2j h GLU 538 Ca 0.05 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.21 1u2j h GLU 538 Cb 0.95 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 30.01 1u2j h GLU 538 CO 0.09 0.76 0.33 0.87 -1.00 0.00 0.00 179.01 180.06 1u2j h LYS 539 N 0.84 1.18 -0.53 2.33 1.57 0.46 -0.33 116.57 122.10 1u2j h LYS 539 Ca 0.20 -0.21 -0.11 0.00 -1.87 0.00 0.00 60.65 58.66 1u2j h LYS 539 Cb 0.18 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 1u2j h LYS 539 CO -0.02 0.95 -0.12 0.00 -0.57 0.00 0.00 179.45 179.69 1u2j h ALA 540 N 1.18 0.78 0.26 3.86 0.00 -0.65 -0.19 119.26 124.50 1u2j h ALA 540 Ca 0.27 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1u2j h ALA 540 Cb 0.19 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1u2j h ALA 540 CO -0.02 0.67 -0.14 0.00 0.00 0.00 0.00 179.25 179.76 1u2j h ALA 541 N 0.96 -0.37 -0.57 0.00 0.00 -0.99 -1.22 119.26 117.08 1u2j h ALA 541 Ca 0.14 -0.08 0.11 0.00 0.00 0.00 0.00 54.91 55.08 1u2j h ALA 541 Cb 0.68 0.16 -0.11 0.00 0.00 0.00 0.00 17.79 18.52 1u2j h ALA 541 CO 0.05 -0.71 -0.20 1.03 0.00 0.00 0.00 179.25 179.42 1u2j h SER 542 N -0.37 -0.71 -0.66 0.00 0.87 -0.41 0.51 113.55 112.78 1u2j h SER 542 Ca -0.03 0.19 0.19 0.00 -1.23 0.00 0.00 61.79 60.91 1u2j h SER 542 Cb 0.29 0.42 -0.03 0.00 -0.44 0.00 0.00 62.40 62.64 1u2j h SER 542 CO 0.05 -0.23 0.50 0.00 -0.53 0.00 0.00 176.83 176.61 1u2j h ALA 543 N 1.41 2.59 -0.00 6.23 0.00 -1.02 0.42 119.26 128.88 1u2j h ALA 543 Ca 0.27 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1u2j h ALA 543 Cb 0.47 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1u2j h ALA 543 CO -0.62 -0.84 -0.03 0.00 0.00 0.00 0.00 179.25 177.76 1u2j n ALA 544 N -2.63 2.63 -0.20 0.00 0.00 0.17 -4.90 120.51 115.59 1u2j n ALA 544 Ca 0.13 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1u2j n ALA 544 Cb 0.75 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.77 1u2j n ALA 544 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u2j n GLY 545 N 1.19 0.89 3.50 0.00 0.00 0.15 -5.06 105.19 105.87 1u2j n GLY 545 Ca 0.17 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 1u2j n GLY 545 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u2j s LEU 546 N 0.00 2.78 -0.28 0.99 1.43 -1.01 -4.99 118.68 117.61 1u2j s LEU 546 Ca 0.00 -0.31 0.01 0.00 -1.03 0.00 0.00 54.13 52.80 1u2j s LEU 546 Cb 0.00 -1.61 0.06 0.00 0.03 0.00 0.00 46.19 44.67 1u2j s LEU 546 CO 0.00 0.28 -0.06 -0.94 0.23 0.00 0.00 176.35 175.86 1u2j s SER 547 N -1.31 4.63 0.29 2.29 1.04 -1.26 -1.99 113.70 117.39 1u2j s SER 547 Ca 0.15 -1.40 0.09 0.00 0.48 0.00 0.00 55.95 55.27 1u2j s SER 547 Cb -0.11 -1.61 -0.04 0.00 0.10 0.00 0.00 66.02 64.36 1u2j s SER 547 CO 0.05 -0.23 0.04 0.27 0.98 0.00 0.00 173.24 174.35 1u2j s ILE 548 N 1.15 3.29 -0.20 -1.02 -4.36 -1.26 -5.09 121.20 113.71 1u2j s ILE 548 Ca -0.07 -1.85 -0.17 0.00 -0.26 0.00 0.00 60.65 58.30 1u2j s ILE 548 Cb -0.20 -2.89 -0.04 0.00 1.25 0.00 0.00 42.46 40.59 1u2j s ILE 548 CO -0.04 -0.31 0.44 -2.28 0.24 0.00 0.00 174.94 173.00 1u2j s HIS 549 N -2.36 3.38 -0.42 1.37 5.65 -1.26 -4.97 115.29 116.67 1u2j s HIS 549 Ca 0.33 0.68 -0.15 0.00 0.25 0.00 0.00 55.06 56.17 1u2j s HIS 549 Cb -0.05 -2.58 0.03 0.00 -1.18 0.00 0.00 32.58 28.80 1u2j s HIS 549 CO 0.21 -0.03 0.32 0.08 -0.65 0.00 0.00 174.74 174.66 1u2j s VAL 550 N 1.39 5.25 0.28 0.89 1.01 -1.26 -5.05 120.40 122.92 1u2j s VAL 550 Ca 0.21 -0.73 -0.30 0.00 0.00 0.00 0.00 61.98 61.16 1u2j s VAL 550 Cb -0.15 -3.97 -0.13 0.00 0.00 0.00 0.00 36.38 32.14 1u2j s VAL 550 CO 0.09 -0.36 1.41 -2.65 0.00 0.00 0.00 175.10 173.59 1u2j n PRO 551 N 5.17 2.21 -4.79 2.72 -0.02 -1.26 -5.00 135.00 134.04 1u2j n PRO 551 Ca -0.11 0.78 -0.25 0.00 -2.02 0.00 0.00 63.50 61.90 1u2j n PRO 551 Cb 0.46 -2.45 -0.16 0.00 -0.02 0.00 0.00 33.50 31.34 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 -0.37 1.59 -0.26 6.00 5.36 -1.26 -4.92 117.98 124.12 1u2j s PHE 552 Ca 0.63 -0.40 0.02 0.00 -0.96 0.00 0.00 56.93 56.23 1u2j s PHE 552 Cb -0.59 -1.06 0.07 0.00 -0.34 0.00 0.00 43.02 41.10 1u2j s PHE 552 CO 0.53 -0.11 -0.07 0.00 -1.46 0.00 0.00 175.22 174.11 1u2j s ALA 553 N -0.10 2.38 1.00 11.12 0.00 -1.26 -5.11 121.76 129.79 1u2j s ALA 553 Ca -0.00 -1.72 -0.12 0.00 0.00 0.00 0.00 51.96 50.12 1u2j s ALA 553 Cb -0.10 -1.58 0.19 0.00 0.00 0.00 0.00 23.12 21.63 1u2j s ALA 553 CO 0.01 -1.27 1.08 -1.25 0.00 0.00 0.00 175.76 174.34 1u2j s PRO 554 N 1.19 0.41 0.00 0.00 0.04 -1.26 -4.69 135.00 130.68 1u2j s PRO 554 Ca -0.05 0.68 0.00 0.00 0.04 0.00 0.00 61.00 61.67 1u2j s PRO 554 Cb -0.19 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.62 1u2j s PRO 554 CO -0.06 -2.79 0.00 0.41 0.04 0.00 0.00 177.00 174.60 1u2j n GLY 555 N -0.73 0.82 3.77 0.56 0.00 -1.26 -5.13 105.19 103.21 1u2j n GLY 555 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 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 3.75 0.28 1.61 0.52 -1.26 -4.89 118.95 118.96 1u2j s ARG 556 Ca 0.00 1.93 0.08 0.00 -0.52 0.00 0.00 55.73 57.22 1u2j s ARG 556 Cb 0.00 -2.50 -0.04 0.00 0.52 0.00 0.00 34.95 32.93 1u2j s ARG 556 CO 0.00 -0.60 0.11 0.14 0.02 0.00 0.00 175.30 174.97 1u2j s VAL 557 N -1.43 3.68 -0.21 3.52 -7.23 -1.26 -4.41 120.40 113.06 1u2j s VAL 557 Ca 0.62 -1.67 -0.18 0.00 -1.81 0.00 0.00 61.98 58.94 1u2j s VAL 557 Cb -0.33 -3.07 -0.03 0.00 0.56 0.00 0.00 36.38 33.51 1u2j s VAL 557 CO 0.40 -0.32 0.49 -1.81 -0.31 0.00 0.00 175.10 173.56 1u2j s ASP 558 N -3.78 6.52 0.50 4.85 1.01 -1.26 -1.15 116.67 123.36 1u2j s ASP 558 Ca 0.34 0.62 -0.21 0.00 0.71 0.00 0.00 52.55 54.00 1u2j s ASP 558 Cb -0.06 -2.28 -0.07 0.00 1.01 0.00 0.00 42.92 41.53 1u2j s ASP 558 CO 0.22 -0.17 1.15 0.00 0.21 0.00 0.00 175.17 176.59 1u2j s ALA 559 N 1.66 2.83 0.55 5.23 0.00 0.16 -4.72 121.76 127.47 1u2j s ALA 559 Ca 0.23 0.89 -0.08 0.00 0.00 0.00 0.00 51.96 53.00 1u2j s ALA 559 Cb -0.15 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.55 1u2j s ALA 559 CO 0.09 -0.73 0.91 1.03 0.00 0.00 0.00 175.76 177.06 1u2j s ARG 560 N -2.99 3.58 0.17 0.00 0.52 -1.26 -4.95 118.95 114.02 1u2j s ARG 560 Ca 0.68 0.49 -0.11 0.00 -0.52 0.00 0.00 55.73 56.27 1u2j s ARG 560 Cb -0.27 -2.23 0.06 0.00 0.52 0.00 0.00 34.95 33.04 1u2j s ARG 560 CO 0.31 -0.38 1.68 0.37 0.02 0.00 0.00 175.30 177.31 1u2j h GLN 561 N -0.01 0.93 -0.05 3.54 5.75 -1.97 -1.66 115.11 121.64 1u2j h GLN 561 Ca -0.45 -0.22 0.00 0.00 -0.15 0.00 0.00 58.65 57.83 1u2j h GLN 561 Cb 1.20 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 29.62 1u2j h GLN 561 CO 0.62 0.85 0.00 -0.40 -2.65 0.00 0.00 178.83 177.25 1u2j n ASP 562 N -4.38 0.05 -0.04 -0.69 5.68 -1.26 -0.89 116.55 115.03 1u2j n ASP 562 Ca 0.03 -1.27 0.02 0.00 -0.50 0.00 0.00 54.79 53.07 1u2j n ASP 562 Cb 0.23 -0.03 -0.02 0.00 -1.14 0.00 0.00 41.12 40.17 1u2j n ASP 562 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1u2j n GLN 563 N -0.44 4.43 -3.75 0.11 6.02 -0.64 -4.78 117.38 118.32 1u2j n GLN 563 Ca 0.00 -0.15 -0.30 0.00 -0.01 0.00 0.00 57.00 56.55 1u2j n GLN 563 Cb 0.01 -0.79 -0.10 0.00 1.02 0.00 0.00 30.24 30.39 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 -0.85 2.09 -1.61 5.09 -1.04 -0.07 -4.29 114.28 113.61 1u2j n THR 564 Ca 0.01 -5.00 -0.48 0.00 -2.04 0.00 0.00 64.05 56.54 1u2j n THR 564 Cb 0.08 -2.21 -0.05 0.00 -1.82 0.00 0.00 70.33 66.34 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 1.80 3.08 -0.09 8.00 2.03 -1.26 -4.86 116.55 125.24 1u2j n ASP 565 Ca 0.22 0.68 -0.09 0.00 0.52 0.00 0.00 54.79 56.13 1u2j n ASP 565 Cb 0.36 -1.38 -0.01 0.00 -0.72 0.00 0.00 41.12 39.37 1u2j n ASP 565 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1u2j h ILE 566 N 6.21 1.07 -0.50 5.18 1.08 -1.88 -2.11 117.51 126.55 1u2j h ILE 566 Ca -0.42 -0.14 -0.01 0.00 -0.39 0.00 0.00 64.86 63.90 1u2j h ILE 566 Cb 1.28 0.61 -0.02 0.00 -3.07 0.00 0.00 36.82 35.62 1u2j h ILE 566 CO 0.97 0.08 0.28 1.05 -0.69 0.00 0.00 178.15 179.83 1u2j h GLU 567 N 0.42 0.70 0.00 2.37 4.11 -1.98 -1.90 114.58 118.30 1u2j h GLU 567 Ca 0.12 -0.08 -0.03 0.00 0.07 0.00 0.00 59.36 59.44 1u2j h GLU 567 Cb -0.04 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.07 1u2j h GLU 567 CO -0.03 0.54 -0.14 0.52 0.07 0.00 0.00 179.01 179.97 1u2j h MET 568 N 0.67 0.00 -0.00 1.06 2.86 -1.92 -2.36 114.93 115.24 1u2j h MET 568 Ca 0.18 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 1u2j h MET 568 Cb 0.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.71 1u2j h MET 568 CO -0.03 0.14 -0.43 1.19 1.06 0.00 0.00 176.91 178.84 1u2j n PHE 569 N -3.49 0.00 0.09 -0.22 3.72 -0.77 -3.25 117.46 113.54 1u2j n PHE 569 Ca -0.01 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.34 1u2j n PHE 569 Cb 0.29 -0.23 0.10 0.00 -0.94 0.00 0.00 39.48 38.70 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 0.24 0.20 -1.11 -1.08 4.39 -0.84 -2.53 114.58 113.85 1u2j h GLU 570 Ca 0.00 -0.15 0.32 0.00 0.34 0.00 0.00 59.36 59.87 1u2j h GLU 570 Cb 0.50 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.13 1u2j h GLU 570 CO 0.00 0.79 0.93 -0.07 -1.16 0.00 0.00 179.01 179.51 1u2j h LEU 571 N 0.14 0.00 0.00 1.33 3.38 -1.61 -1.89 115.31 116.65 1u2j h LEU 571 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1u2j h LEU 571 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1u2j h LEU 571 CO 0.10 0.00 -1.21 0.18 0.09 0.00 0.00 178.44 177.60 1u2j n LEU 572 N -3.83 0.58 -4.69 1.67 4.77 -0.95 -4.90 117.00 109.65 1u2j n LEU 572 Ca 0.24 -0.12 -0.42 0.00 -0.03 0.00 0.00 56.01 55.68 1u2j n LEU 572 Cb 1.29 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 42.30 1u2j n LEU 572 CO 0.35 0.08 1.32 -0.70 -1.33 0.00 0.00 177.39 177.10 1u2j s GLU 573 N -3.22 4.20 0.33 3.23 2.12 -0.71 -4.94 118.70 119.71 1u2j s GLU 573 Ca 0.02 2.29 -0.12 0.00 0.36 0.00 0.00 54.97 57.53 1u2j s GLU 573 Cb 0.15 -3.63 -0.08 0.00 0.26 0.00 0.00 34.13 30.83 1u2j s GLU 573 CO 0.84 -0.73 0.70 -1.25 -0.54 0.00 0.00 175.26 174.28 1u2j s PRO 574 N 2.75 3.86 0.00 4.30 0.04 -1.26 -4.94 135.00 139.75 1u2j s PRO 574 Ca 0.73 0.48 0.30 0.00 0.04 0.00 0.00 61.00 62.55 1u2j s PRO 574 Cb -0.39 -2.47 1.40 0.00 0.04 0.00 0.00 34.50 33.08 1u2j s PRO 574 CO 0.32 0.12 1.96 0.44 0.04 0.00 0.00 177.00 179.88 1u2j n ILE 575 N -0.69 0.00 -3.59 0.56 -5.35 -1.26 -4.85 119.36 104.18 1u2j n ILE 575 Ca 0.02 -0.04 -0.09 0.00 -0.27 0.00 0.00 62.75 62.37 1u2j n ILE 575 Cb 0.53 -0.24 -0.05 0.00 -1.74 0.00 0.00 39.64 38.15 1u2j n ILE 575 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1u2j s ALA 576 N -2.41 -1.96 -0.38 -1.28 0.00 -1.26 -1.31 121.76 113.15 1u2j s ALA 576 Ca 0.32 1.64 0.04 0.00 0.00 0.00 0.00 51.96 53.95 1u2j s ALA 576 Cb 0.20 -0.85 0.16 0.00 0.00 0.00 0.00 23.12 22.64 1u2j s ALA 576 CO 0.45 -0.30 0.41 0.34 0.00 0.00 0.00 175.76 176.67 1u2j s ASP 577 N -1.03 0.84 0.61 0.00 -1.08 0.16 -4.92 116.67 111.26 1u2j s ASP 577 Ca -0.00 -1.61 0.35 0.00 -0.52 0.00 0.00 52.55 50.77 1u2j s ASP 577 Cb -0.01 0.68 2.00 0.00 -1.46 0.00 0.00 42.92 44.14 1u2j s ASP 577 CO 0.00 -0.24 2.28 1.23 0.52 0.00 0.00 175.17 178.97 1u2j h GLY 578 N 6.89 0.00 2.00 2.66 0.00 -1.89 0.26 103.07 112.99 1u2j h GLY 578 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1u2j h GLY 578 CO 0.19 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.42 1u2j n PHE 579 N -3.56 0.45 -1.19 5.60 3.72 -1.26 -2.45 117.46 118.76 1u2j n PHE 579 Ca -0.03 0.19 0.04 0.00 -0.05 0.00 0.00 57.45 57.61 1u2j n PHE 579 Cb 0.09 -0.81 0.06 0.00 -0.94 0.00 0.00 39.48 37.89 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 -1.92 1.01 -3.57 -1.08 1.74 0.82 -4.76 116.66 108.90 1u2j n ARG 580 Ca 0.02 -1.72 -0.24 0.00 -0.77 0.00 0.00 57.85 55.14 1u2j n ARG 580 Cb 0.15 -1.01 -0.03 0.00 -1.02 0.00 0.00 32.46 30.55 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 -0.71 -2.30 -4.71 0.55 3.02 -1.02 -0.17 115.26 109.91 1u2j n ASN 581 Ca 0.07 -0.47 -0.36 0.00 -0.03 0.00 0.00 54.58 53.80 1u2j n ASN 581 Cb 0.59 -1.98 -0.08 0.00 -0.61 0.00 0.00 39.78 37.69 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 -2.80 3.39 -0.18 3.10 5.04 -0.53 -4.84 117.35 120.53 1u2j s TYR 582 Ca 0.45 0.33 -0.04 0.00 -2.44 0.00 0.00 57.07 55.37 1u2j s TYR 582 Cb -0.26 -2.21 0.09 0.00 0.35 0.00 0.00 41.96 39.93 1u2j s TYR 582 CO 0.56 0.22 0.28 0.50 -1.34 0.00 0.00 175.55 175.77 1u2j s ARG 583 N 0.56 0.21 0.74 4.97 3.00 -1.26 0.38 118.95 127.55 1u2j s ARG 583 Ca 0.09 0.52 -0.07 0.00 -1.00 0.00 0.00 55.73 55.27 1u2j s ARG 583 Cb -0.12 -0.54 0.09 0.00 0.00 0.00 0.00 34.95 34.38 1u2j s ARG 583 CO 0.00 -0.49 1.05 0.00 0.00 0.00 0.00 175.30 175.86 1u2j s ALA 584 N 2.42 3.14 -0.90 6.12 0.00 -0.43 -4.82 121.76 127.29 1u2j s ALA 584 Ca 0.06 -1.13 -0.07 0.00 0.00 0.00 0.00 51.96 50.81 1u2j s ALA 584 Cb -0.14 -2.50 0.01 0.00 0.00 0.00 0.00 23.12 20.49 1u2j s ALA 584 CO -0.12 -1.49 0.64 0.54 0.00 0.00 0.00 175.76 175.33 1u2j n ARG 585 N -3.02 -1.29 -0.37 0.00 1.74 -1.26 -4.83 116.66 107.63 1u2j n ARG 585 Ca 0.10 0.70 -0.01 0.00 -0.77 0.00 0.00 57.85 57.87 1u2j n ARG 585 Cb 0.60 -2.74 0.04 0.00 -1.02 0.00 0.00 32.46 29.34 1u2j n ARG 585 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1u2j h LEU 586 N -0.69 -1.39 -8.02 0.55 5.85 -1.95 -3.34 115.31 106.32 1u2j h LEU 586 Ca -0.59 0.30 -0.52 0.00 0.84 0.00 0.00 57.88 57.91 1u2j h LEU 586 Cb 1.36 0.74 -0.07 0.00 0.37 0.00 0.00 40.66 43.06 1u2j h LEU 586 CO 0.39 -0.29 1.52 -0.62 -0.34 0.00 0.00 178.44 179.10 1u2j s ASP 587 N -5.34 6.10 -0.29 1.25 -1.08 -1.26 -4.77 116.67 111.28 1u2j s ASP 587 Ca -0.14 -1.69 -0.20 0.00 -0.52 0.00 0.00 52.55 50.01 1u2j s ASP 587 Cb 0.20 -2.58 0.17 0.00 -1.46 0.00 0.00 42.92 39.26 1u2j s ASP 587 CO 0.72 -1.91 1.18 -0.69 0.52 0.00 0.00 175.17 174.99 1u2j s VAL 588 N 6.75 0.00 0.00 1.11 1.01 -1.26 -5.15 120.40 122.87 1u2j s VAL 588 Ca 0.57 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.55 1u2j s VAL 588 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.38 1u2j s VAL 588 CO 0.02 0.00 0.00 -1.54 0.00 0.00 0.00 175.10 173.58 1u2j n SER 589 N 2.73 -0.04 -4.96 3.32 3.41 -1.26 -4.80 113.62 112.01 1u2j n SER 589 Ca -0.15 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.25 1u2j n SER 589 Cb 0.57 -1.02 -0.00 0.00 -0.26 0.00 0.00 64.21 63.49 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 -2.01 4.44 0.26 6.66 -4.23 -1.26 -4.97 115.64 114.52 1u2j s THR 590 Ca 0.00 -0.71 -0.03 0.00 -1.18 0.00 0.00 61.69 59.76 1u2j s THR 590 Cb 0.00 -3.59 0.15 0.00 1.34 0.00 0.00 72.50 70.40 1u2j s THR 590 CO 0.00 -0.33 1.80 0.71 -0.54 0.00 0.00 174.62 176.27 1u2j h THR 591 N 0.73 1.24 0.00 3.99 1.35 -1.94 -2.06 112.91 116.22 1u2j h THR 591 Ca -0.48 -0.84 -0.07 0.00 -0.55 0.00 0.00 66.41 64.48 1u2j h THR 591 Cb 1.24 0.59 -0.01 0.00 -1.73 0.00 0.00 68.15 68.24 1u2j h THR 591 CO 0.57 0.32 -0.32 1.05 -0.25 0.00 0.00 175.52 176.89 1u2j h GLU 592 N 0.90 0.00 0.11 4.72 9.09 -1.94 -1.82 114.58 125.63 1u2j h GLU 592 Ca 0.20 0.00 -0.27 0.00 0.05 0.00 0.00 59.36 59.34 1u2j h GLU 592 Cb 0.29 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.38 1u2j h GLU 592 CO -0.00 0.32 -1.28 0.66 0.05 0.00 0.00 179.01 178.75 1u2j h SER 593 N 0.00 0.35 0.52 3.06 4.64 -1.85 -2.73 113.55 117.54 1u2j h SER 593 Ca -0.00 -0.40 -0.09 0.00 -0.47 0.00 0.00 61.79 60.82 1u2j h SER 593 Cb 0.79 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.76 1u2j h SER 593 CO 0.04 1.32 -0.45 -0.07 -0.87 0.00 0.00 176.83 176.80 1u2j h LEU 594 N 0.06 0.00 -0.03 5.97 3.38 -1.12 -1.85 115.31 121.71 1u2j h LEU 594 Ca -0.14 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 1u2j h LEU 594 Cb 1.96 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.70 1u2j h LEU 594 CO 0.18 0.45 0.01 0.25 0.09 0.00 0.00 178.44 179.42 1u2j h LEU 595 N 0.00 0.05 -1.49 1.67 5.85 -1.20 0.49 115.31 120.68 1u2j h LEU 595 Ca -0.00 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.53 1u2j h LEU 595 Cb 0.84 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.82 1u2j h LEU 595 CO 0.06 0.23 0.35 0.40 -0.34 0.00 0.00 178.44 179.14 1u2j h ILE 596 N -0.13 1.12 -0.23 4.05 1.08 -1.44 -1.78 117.51 120.17 1u2j h ILE 596 Ca 0.01 -0.24 -0.08 0.00 -0.39 0.00 0.00 64.86 64.17 1u2j h ILE 596 Cb 0.20 0.37 -0.01 0.00 -3.07 0.00 0.00 36.82 34.31 1u2j h ILE 596 CO -0.00 0.13 -0.16 -0.78 -0.69 0.00 0.00 178.15 176.65 1u2j h ASP 597 N 0.69 0.54 -0.63 1.72 1.82 -0.69 -0.38 116.42 119.50 1u2j h ASP 597 Ca 0.20 -0.44 0.12 0.00 -0.39 0.00 0.00 57.03 56.53 1u2j h ASP 597 Cb -0.04 -0.15 -0.09 0.00 0.68 0.00 0.00 39.33 39.73 1u2j h ASP 597 CO -0.05 0.86 0.10 0.50 -1.61 0.00 0.00 179.24 179.05 1u2j h LYS 598 N 0.23 0.21 -0.29 0.28 1.63 0.39 -0.66 116.57 118.36 1u2j h LYS 598 Ca 0.05 -0.01 -0.15 0.00 -0.85 0.00 0.00 60.65 59.68 1u2j h LYS 598 Cb 0.68 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.25 1u2j h LYS 598 CO 0.04 0.14 -0.43 0.00 -3.45 0.00 0.00 179.45 175.75 1u2j h ALA 599 N 1.52 0.70 -0.46 5.00 0.00 -1.03 -1.94 119.26 123.06 1u2j h ALA 599 Ca 0.33 -0.46 0.02 0.00 0.00 0.00 0.00 54.91 54.80 1u2j h ALA 599 Cb 0.52 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1u2j h ALA 599 CO -0.45 0.67 0.27 0.37 0.00 0.00 0.00 179.25 180.10 1u2j h GLN 600 N 0.58 0.53 -0.91 0.00 4.15 -0.75 0.65 115.11 119.35 1u2j h GLN 600 Ca 0.04 -0.03 0.22 0.00 0.77 0.00 0.00 58.65 59.65 1u2j h GLN 600 Cb 0.98 -0.12 -0.12 0.00 0.21 0.00 0.00 27.48 28.43 1u2j h GLN 600 CO 0.09 0.35 0.43 1.96 -1.93 0.00 0.00 178.83 179.73 1u2j h GLN 601 N 0.54 0.43 -0.44 1.69 4.20 -0.37 0.01 115.11 121.17 1u2j h GLN 601 Ca 0.19 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.87 1u2j h GLN 601 Cb 0.02 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.70 1u2j h GLN 601 CO -0.09 0.29 0.00 1.28 -0.67 0.00 0.00 178.83 179.64 1u2j n LEU 602 N -5.01 2.33 -4.10 1.46 4.77 -0.73 -0.64 117.00 115.09 1u2j n LEU 602 Ca 0.23 -1.17 -0.33 0.00 -0.03 0.00 0.00 56.01 54.71 1u2j n LEU 602 Cb 0.66 -0.30 -0.02 0.00 -2.33 0.00 0.00 43.42 41.43 1u2j n LEU 602 CO 0.14 0.56 -0.05 0.35 -1.33 0.00 0.00 177.39 177.05 1u2j n THR 603 N 0.71 -1.70 -3.35 -5.08 -2.24 -0.01 -4.91 114.28 97.69 1u2j n THR 603 Ca 0.14 -0.12 -0.35 0.00 -2.27 0.00 0.00 64.05 61.44 1u2j n THR 603 Cb 0.38 -2.13 -0.06 0.00 -2.10 0.00 0.00 70.33 66.42 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 -7.20 4.34 0.88 3.22 1.43 0.14 -5.01 118.68 116.49 1u2j s LEU 604 Ca 0.55 1.09 -0.12 0.00 -1.03 0.00 0.00 54.13 54.63 1u2j s LEU 604 Cb -0.30 -3.26 0.12 0.00 0.03 0.00 0.00 46.19 42.78 1u2j s LEU 604 CO 0.90 0.11 1.13 0.42 0.23 0.00 0.00 176.35 179.13 1u2j s THR 605 N -1.45 2.28 0.15 5.49 -4.23 -1.26 -4.58 115.64 112.04 1u2j s THR 605 Ca 0.38 0.09 -0.16 0.00 -1.18 0.00 0.00 61.69 60.82 1u2j s THR 605 Cb -0.15 -2.85 0.02 0.00 1.34 0.00 0.00 72.50 70.86 1u2j s THR 605 CO 0.19 -0.12 1.78 0.00 -0.54 0.00 0.00 174.62 175.93 1u2j h ALA 606 N -1.38 0.55 -0.27 3.99 0.00 -1.99 -0.43 119.26 119.74 1u2j h ALA 606 Ca -0.50 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.35 1u2j h ALA 606 Cb 1.32 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1u2j h ALA 606 CO 0.61 0.05 0.16 -1.35 0.00 0.00 0.00 179.25 178.73 1u2j h PRO 607 N 0.57 0.36 -0.87 0.00 0.11 -1.96 -1.09 132.00 129.11 1u2j h PRO 607 Ca 0.16 -0.03 0.10 0.00 0.11 0.00 0.00 66.00 66.34 1u2j h PRO 607 Cb 0.00 -0.08 -0.08 0.00 0.11 0.00 0.00 31.00 30.96 1u2j h PRO 607 CO -0.03 0.27 0.51 0.93 -0.21 0.00 0.00 178.00 179.47 1u2j h GLU 608 N 0.34 0.82 -0.20 1.05 5.08 -1.86 0.63 114.58 120.43 1u2j h GLU 608 Ca 0.10 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 1u2j h GLU 608 Cb 0.00 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 1u2j h GLU 608 CO -0.02 0.54 0.06 1.98 -1.00 0.00 0.00 179.01 180.57 1u2j h MET 609 N 0.84 0.32 0.42 2.33 4.05 -0.87 -1.72 114.93 120.30 1u2j h MET 609 Ca 0.43 -0.07 -0.01 0.00 -0.28 0.00 0.00 59.70 59.77 1u2j h MET 609 Cb 0.41 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.15 1u2j h MET 609 CO -0.26 0.42 -0.32 1.15 0.23 0.00 0.00 176.91 178.14 1u2j h THR 610 N 0.15 0.35 -0.64 -0.77 2.02 -0.30 -0.81 112.91 112.91 1u2j h THR 610 Ca 0.07 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.38 1u2j h THR 610 Cb 0.24 0.35 -0.12 0.00 -1.74 0.00 0.00 68.15 66.87 1u2j h THR 610 CO -0.00 0.00 -0.13 0.00 0.37 0.00 0.00 175.52 175.76 1u2j h ALA 611 N -0.25 0.47 -0.53 6.16 0.00 -0.91 -1.37 119.26 122.84 1u2j h ALA 611 Ca -0.04 0.24 0.01 0.00 0.00 0.00 0.00 54.91 55.12 1u2j h ALA 611 Cb 0.62 0.46 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 1u2j h ALA 611 CO 0.00 -0.42 0.35 -0.07 0.00 0.00 0.00 179.25 179.11 1u2j h LEU 612 N 0.02 0.60 -0.11 0.00 3.38 -0.73 -1.04 115.31 117.44 1u2j h LEU 612 Ca 0.32 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.25 1u2j h LEU 612 Cb 0.49 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1u2j h LEU 612 CO -0.64 0.44 -0.02 0.58 0.09 0.00 0.00 178.44 178.89 1u2j h VAL 613 N 0.71 1.28 -0.73 1.22 2.07 -0.66 0.03 116.25 120.17 1u2j h VAL 613 Ca 0.19 -0.92 0.16 0.00 0.82 0.00 0.00 66.70 66.96 1u2j h VAL 613 Cb -0.08 1.68 -0.13 0.00 -1.52 0.00 0.00 31.29 31.24 1u2j h VAL 613 CO -0.04 0.26 -0.02 1.23 0.02 0.00 0.00 177.57 179.01 1u2j h GLY 614 N -0.11 0.77 0.50 2.17 0.00 -1.10 0.22 103.07 105.53 1u2j h GLY 614 Ca 0.03 0.13 -0.00 0.00 0.00 0.00 0.00 47.33 47.48 1u2j h GLY 614 CO 0.01 -0.28 -0.00 -1.33 0.00 0.00 0.00 176.54 174.94 1u2j h GLY 615 N 0.09 -0.01 0.62 4.60 0.00 -1.11 -2.64 103.07 104.62 1u2j h GLY 615 Ca 0.39 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.81 1u2j h GLY 615 CO -0.66 -0.00 0.50 -0.33 0.00 0.00 0.00 176.54 176.05 1u2j h MET 616 N -0.51 0.85 0.27 4.80 2.86 -0.68 -0.16 114.93 122.37 1u2j h MET 616 Ca -0.00 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1u2j h MET 616 Cb 0.50 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.94 1u2j h MET 616 CO 0.00 0.57 -0.40 0.00 1.06 0.00 0.00 176.91 178.14 1u2j h ARG 617 N 0.88 -0.67 0.00 1.72 -0.00 -0.99 -0.76 114.38 114.55 1u2j h ARG 617 Ca 0.39 0.05 0.00 0.00 -0.50 0.00 0.00 59.98 59.91 1u2j h ARG 617 Cb 0.27 0.15 0.00 0.00 0.00 0.00 0.00 29.97 30.39 1u2j h ARG 617 CO -0.21 -0.45 0.00 1.33 0.00 0.00 0.00 179.97 180.64 1u2j n VAL 618 N -4.78 0.78 1.20 2.04 0.24 -0.69 -1.06 118.33 116.07 1u2j n VAL 618 Ca -0.08 0.14 0.13 0.00 -2.04 0.00 0.00 64.34 62.49 1u2j n VAL 618 Cb 0.34 -1.01 0.37 0.00 -1.47 0.00 0.00 33.84 32.07 1u2j n VAL 618 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1u2j n LEU 619 N -2.06 0.86 -0.45 1.34 4.77 -0.16 -0.54 117.00 120.76 1u2j n LEU 619 Ca 0.03 -0.18 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 1u2j n LEU 619 Cb 0.26 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1u2j n LEU 619 CO 0.21 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 1u2j n GLY 620 N 1.37 0.94 1.43 -0.72 0.00 -0.22 -3.59 105.19 104.40 1u2j n GLY 620 Ca 0.11 -0.65 0.08 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.29 3.47 -1.69 4.61 0.00 -0.36 -4.80 120.51 119.45 1u2j n ALA 621 Ca 0.00 -2.11 -0.43 0.00 0.00 0.00 0.00 53.44 50.90 1u2j n ALA 621 Cb 0.47 -0.93 -0.01 0.00 0.00 0.00 0.00 19.45 18.97 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 0.09 2.86 0.14 0.00 3.02 -1.26 -4.64 115.26 115.46 1u2j n ASN 622 Ca 0.25 1.18 0.09 0.00 -0.03 0.00 0.00 54.58 56.07 1u2j n ASN 622 Cb 1.06 -1.47 0.48 0.00 -0.61 0.00 0.00 39.78 39.24 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 1.02 0.60 -0.51 3.10 1.16 0.76 -2.04 117.46 121.55 1u2j n PHE 623 Ca 0.07 0.31 0.00 0.00 -1.87 0.00 0.00 57.45 55.97 1u2j n PHE 623 Cb 0.35 -0.99 0.01 0.00 -1.61 0.00 0.00 39.48 37.23 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 -2.12 1.17 0.00 5.98 5.75 -1.26 -4.09 116.55 121.98 1u2j n ASP 624 Ca -0.01 -1.67 0.00 0.00 -0.01 0.00 0.00 54.79 53.10 1u2j n ASP 624 Cb 0.04 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.10 1u2j n ASP 624 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1u2j n GLY 625 N -0.33 2.12 3.73 6.12 0.00 -0.87 -5.01 105.19 110.95 1u2j n GLY 625 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1u2j n GLY 625 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1u2j s SER 626 N -3.48 4.28 0.00 1.61 1.04 -1.26 -4.93 113.70 110.96 1u2j s SER 626 Ca 0.00 2.23 0.14 0.00 0.48 0.00 0.00 55.95 58.80 1u2j s SER 626 Cb 0.00 -2.57 0.43 0.00 0.10 0.00 0.00 66.02 63.98 1u2j s SER 626 CO 0.00 -2.20 1.34 0.29 0.98 0.00 0.00 173.24 173.65 1u2j n LYS 627 N -2.85 1.82 -1.63 4.02 5.02 -1.26 -4.67 118.16 118.60 1u2j n LYS 627 Ca 0.12 -1.27 -0.53 0.00 -2.02 0.00 0.00 58.31 54.61 1u2j n LYS 627 Cb 0.51 -1.31 -0.07 0.00 -0.02 0.00 0.00 35.03 34.14 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 0.52 2.62 0.00 4.39 3.02 -1.26 -0.42 115.26 124.12 1u2j n ASN 628 Ca 0.13 0.88 0.00 0.00 -0.03 0.00 0.00 54.58 55.56 1u2j n ASN 628 Cb 0.32 -1.23 0.00 0.00 -0.61 0.00 0.00 39.78 38.25 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 4.89 1.78 2.76 7.41 0.00 0.14 -4.77 105.19 117.40 1u2j n GLY 629 Ca 0.29 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.89 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 3.74 -1.07 1.61 0.31 0.44 -4.80 118.33 116.56 1u2j n VAL 630 Ca 0.00 -3.42 -0.22 0.00 -0.01 0.00 0.00 64.34 60.69 1u2j n VAL 630 Cb 0.00 -2.53 -0.11 0.00 -0.91 0.00 0.00 33.84 30.29 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 5.37 0.93 -3.83 3.52 3.72 -1.26 -4.80 117.46 121.11 1u2j n PHE 631 Ca 0.49 -2.05 -0.10 0.00 -0.05 0.00 0.00 57.45 55.75 1u2j n PHE 631 Cb 0.38 -1.89 -0.07 0.00 -0.94 0.00 0.00 39.48 36.96 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 1.60 0.12 -0.27 4.37 -1.32 -1.26 -4.14 115.64 114.74 1u2j s THR 632 Ca 0.65 -1.00 0.22 0.00 -1.21 0.00 0.00 61.69 60.35 1u2j s THR 632 Cb 0.25 -1.15 -0.14 0.00 -1.51 0.00 0.00 72.50 69.95 1u2j s THR 632 CO -0.02 -0.55 0.85 0.47 -2.21 0.00 0.00 174.62 173.16 1u2j n ASP 633 N 0.24 0.51 -3.65 8.08 9.92 -1.26 -4.62 116.55 125.77 1u2j n ASP 633 Ca -0.17 0.07 -0.33 0.00 -0.53 0.00 0.00 54.79 53.83 1u2j n ASP 633 Cb 0.61 1.05 -0.05 0.00 -0.64 0.00 0.00 41.12 42.09 1u2j n ASP 633 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 1u2j n ARG 634 N -2.34 3.18 -1.62 -1.24 1.85 -1.26 -5.06 116.66 110.17 1u2j n ARG 634 Ca -0.01 -4.63 -0.46 0.00 -1.00 0.00 0.00 57.85 51.75 1u2j n ARG 634 Cb 0.52 -2.35 -0.03 0.00 -1.05 0.00 0.00 32.46 29.55 1u2j n ARG 634 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1u2j n VAL 635 N 1.07 1.12 -0.05 8.89 0.31 -1.26 -2.41 118.33 126.00 1u2j n VAL 635 Ca 0.28 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1u2j n VAL 635 Cb 0.38 -1.12 0.00 0.00 -0.91 0.00 0.00 33.84 32.19 1u2j n VAL 635 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1u2j n GLY 636 N 1.90 0.55 3.33 2.92 0.00 0.29 -4.98 105.19 109.20 1u2j n GLY 636 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 1u2j n GLY 636 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u2j s VAL 637 N -2.10 2.74 -1.21 1.61 0.11 -1.01 -4.16 120.40 116.38 1u2j s VAL 637 Ca 0.00 -0.78 -0.16 0.00 -2.93 0.00 0.00 61.98 58.11 1u2j s VAL 637 Cb 0.00 -2.12 0.12 0.00 -1.53 0.00 0.00 36.38 32.85 1u2j s VAL 637 CO 0.00 0.54 1.54 -0.22 -3.33 0.00 0.00 175.10 173.63 1u2j s LEU 638 N 0.27 4.44 0.48 2.54 2.96 -0.48 -4.64 118.68 124.25 1u2j s LEU 638 Ca -0.12 -2.60 0.07 0.00 -0.22 0.00 0.00 54.13 51.26 1u2j s LEU 638 Cb -0.16 -2.49 0.01 0.00 0.50 0.00 0.00 46.19 44.05 1u2j s LEU 638 CO 0.06 -1.00 0.41 -0.94 -1.32 0.00 0.00 176.35 173.56 1u2j s SER 639 N 3.61 4.85 -0.16 3.68 1.04 -1.26 -4.81 113.70 120.65 1u2j s SER 639 Ca 0.47 -0.96 0.07 0.00 0.48 0.00 0.00 55.95 56.01 1u2j s SER 639 Cb 0.00 -0.13 0.47 0.00 0.10 0.00 0.00 66.02 66.45 1u2j s SER 639 CO 0.02 -0.87 1.28 -0.46 0.98 0.00 0.00 173.24 174.20 1u2j n ASN 640 N -1.66 3.72 -0.34 7.02 6.94 -1.26 -4.53 115.26 125.15 1u2j n ASN 640 Ca 0.02 -2.61 -0.03 0.00 -0.02 0.00 0.00 54.58 51.94 1u2j n ASN 640 Cb 0.63 -0.63 0.01 0.00 -2.36 0.00 0.00 39.78 37.43 1u2j n ASN 640 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 1u2j n ASP 641 N 0.22 -0.64 -0.17 0.53 9.92 -1.26 -1.51 116.55 123.65 1u2j n ASP 641 Ca 0.19 1.50 -0.02 0.00 -0.53 0.00 0.00 54.79 55.94 1u2j n ASP 641 Cb 0.87 -0.31 0.06 0.00 -0.64 0.00 0.00 41.12 41.11 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 -0.08 -0.46 1.24 3.57 -1.80 0.16 116.94 119.57 1u2j h PHE 642 Ca 0.26 0.04 -0.11 0.00 3.53 0.00 0.00 57.97 61.70 1u2j h PHE 642 Cb 0.47 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.31 1u2j h PHE 642 CO -0.78 -0.14 -0.13 0.74 -2.23 0.00 0.00 178.31 175.76 1u2j h PHE 643 N 0.09 0.96 -0.46 0.41 0.04 -1.82 0.08 116.94 116.25 1u2j h PHE 643 Ca 0.27 -0.19 -0.12 0.00 2.80 0.00 0.00 57.97 60.73 1u2j h PHE 643 Cb 0.41 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.31 1u2j h PHE 643 CO -0.35 0.94 -0.18 0.28 -0.60 0.00 0.00 178.31 178.41 1u2j h VAL 644 N 0.77 1.27 0.17 -0.55 2.07 0.36 -2.59 116.25 117.75 1u2j h VAL 644 Ca 0.12 -1.32 -0.30 0.00 0.82 0.00 0.00 66.70 66.01 1u2j h VAL 644 Cb 0.65 1.15 0.03 0.00 -1.52 0.00 0.00 31.29 31.60 1u2j h VAL 644 CO 0.05 0.45 -1.32 0.78 0.02 0.00 0.00 177.57 177.55 1u2j h ASN 645 N 0.78 0.76 -0.84 0.57 2.35 -1.24 -2.89 115.58 115.07 1u2j h ASN 645 Ca 0.11 -0.76 0.21 0.00 -0.55 0.00 0.00 56.30 55.31 1u2j h ASN 645 Cb 0.74 -0.24 -0.13 0.00 0.05 0.00 0.00 38.32 38.74 1u2j h ASN 645 CO 0.06 1.58 0.25 0.25 -1.65 0.00 0.00 177.43 177.92 1u2j h LEU 646 N 0.19 0.07 -2.48 1.61 5.85 -0.89 -0.87 115.31 118.80 1u2j h LEU 646 Ca -0.20 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.69 1u2j h LEU 646 Cb 2.00 0.22 0.00 0.00 0.37 0.00 0.00 40.66 43.25 1u2j h LEU 646 CO 0.24 -0.08 0.00 0.18 -0.34 0.00 0.00 178.44 178.44 1u2j n LEU 647 N -5.16 3.65 -4.58 2.25 4.77 -0.99 -4.90 117.00 112.04 1u2j n LEU 647 Ca 0.19 -1.72 -0.42 0.00 -0.03 0.00 0.00 56.01 54.03 1u2j n LEU 647 Cb 0.61 -0.38 -0.05 0.00 -2.33 0.00 0.00 43.42 41.27 1u2j n LEU 647 CO 0.10 0.86 0.63 -0.62 -1.33 0.00 0.00 177.39 177.02 1u2j s ASP 648 N -1.22 6.55 0.00 -1.43 -1.08 -0.33 -4.85 116.67 114.30 1u2j s ASP 648 Ca 0.44 0.30 0.00 0.00 -0.52 0.00 0.00 52.55 52.77 1u2j s ASP 648 Cb 0.24 -2.41 0.00 0.00 -1.46 0.00 0.00 42.92 39.29 1u2j s ASP 648 CO 0.32 -0.82 0.30 0.23 0.52 0.00 0.00 175.17 175.73 1u2j n MET 649 N 6.62 0.49 -0.01 4.34 2.81 -1.26 -2.16 117.12 127.94 1u2j n MET 649 Ca 0.04 0.00 0.12 0.00 -1.81 0.00 0.00 57.70 56.05 1u2j n MET 649 Cb 0.48 -1.18 0.11 0.00 -0.71 0.00 0.00 33.22 31.92 1u2j n MET 649 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 1u2j n ARG 650 N 0.07 2.33 -4.55 0.03 0.63 -1.26 -4.89 116.66 109.01 1u2j n ARG 650 Ca 0.00 -1.93 -0.24 0.00 -0.92 0.00 0.00 57.85 54.76 1u2j n ARG 650 Cb 0.09 -1.46 -0.14 0.00 0.45 0.00 0.00 32.46 31.40 1u2j n ARG 650 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 1u2j s TYR 651 N -1.98 1.68 -0.05 -0.14 1.51 -0.92 -0.94 117.35 116.51 1u2j s TYR 651 Ca 0.29 -0.37 0.05 0.00 -1.01 0.00 0.00 57.07 56.02 1u2j s TYR 651 Cb 0.20 -0.99 -0.00 0.00 -0.11 0.00 0.00 41.96 41.05 1u2j s TYR 651 CO 0.30 0.09 -0.19 -2.00 -1.11 0.00 0.00 175.55 172.64 1u2j s GLU 652 N -1.22 1.93 -0.07 -0.62 2.12 -0.61 -4.85 118.70 115.38 1u2j s GLU 652 Ca 0.06 -0.67 0.02 0.00 0.36 0.00 0.00 54.97 54.74 1u2j s GLU 652 Cb -0.09 -1.67 -0.03 0.00 0.26 0.00 0.00 34.13 32.61 1u2j s GLU 652 CO 0.02 0.27 -0.11 -1.58 -0.54 0.00 0.00 175.26 173.32 1u2j s TRP 653 N -0.01 2.83 0.01 5.30 0.52 -1.26 -1.42 118.94 124.91 1u2j s TRP 653 Ca -0.04 -0.16 0.01 0.00 0.02 0.00 0.00 56.10 55.93 1u2j s TRP 653 Cb -0.12 -1.71 -0.01 0.00 -1.15 0.00 0.00 33.47 30.48 1u2j s TRP 653 CO 0.02 0.18 -0.03 0.15 0.02 0.00 0.00 176.95 177.29 1u2j s LYS 654 N -0.55 0.25 0.42 4.98 1.02 -1.14 -4.90 119.74 119.82 1u2j s LYS 654 Ca 0.08 -0.34 -0.25 0.00 0.02 0.00 0.00 55.97 55.48 1u2j s LYS 654 Cb -0.12 -0.08 -0.08 0.00 -0.52 0.00 0.00 37.83 37.03 1u2j s LYS 654 CO 0.02 0.01 1.24 0.00 -0.92 0.00 0.00 175.35 175.70 1u2j s ALA 655 N -0.69 3.16 0.14 5.17 0.00 -1.26 -2.08 121.76 126.20 1u2j s ALA 655 Ca -0.06 1.10 -0.03 0.00 0.00 0.00 0.00 51.96 52.97 1u2j s ALA 655 Cb -0.05 -3.44 -0.05 0.00 0.00 0.00 0.00 23.12 19.58 1u2j s ALA 655 CO -0.00 -0.72 1.34 1.79 0.00 0.00 0.00 175.76 178.16 1u2j h THR 656 N 2.29 1.40 -2.83 0.00 1.35 -1.68 -3.48 112.91 109.96 1u2j h THR 656 Ca -0.49 -2.38 -0.01 0.00 -0.55 0.00 0.00 66.41 62.98 1u2j h THR 656 Cb 1.24 2.34 0.00 0.00 -1.73 0.00 0.00 68.15 70.01 1u2j h THR 656 CO 0.62 0.71 0.28 -0.90 -0.25 0.00 0.00 175.52 175.98 1u2j n ASP 657 N -3.76 -2.00 0.17 5.36 5.75 -1.26 -5.03 116.55 115.78 1u2j n ASP 657 Ca -0.06 -2.35 0.16 0.00 -0.01 0.00 0.00 54.79 52.54 1u2j n ASP 657 Cb 0.80 3.32 0.61 0.00 -1.03 0.00 0.00 41.12 44.81 1u2j n ASP 657 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 1u2j h GLU 658 N 0.00 0.00 -0.97 0.11 -0.00 -1.99 -2.32 114.58 109.41 1u2j h GLU 658 Ca -0.29 0.00 0.19 0.00 -0.00 0.00 0.00 59.36 59.25 1u2j h GLU 658 Cb 1.10 0.00 -0.11 0.00 -0.00 0.00 0.00 28.75 29.74 1u2j h GLU 658 CO 0.37 0.00 0.57 0.66 -0.00 0.00 0.00 179.01 180.61 1u2j h SER 659 N 0.00 0.71 -0.11 3.06 4.64 -1.97 -3.45 113.55 116.43 1u2j h SER 659 Ca 0.14 0.10 -0.05 0.00 -0.47 0.00 0.00 61.79 61.51 1u2j h SER 659 Cb 1.36 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 63.41 1u2j h SER 659 CO -0.00 0.25 -0.04 0.29 -0.87 0.00 0.00 176.83 176.45 1u2j n LYS 660 N -4.81 -0.52 -0.01 4.77 5.02 -0.87 -4.92 118.16 116.82 1u2j n LYS 660 Ca 0.22 0.36 0.10 0.00 -2.02 0.00 0.00 58.31 56.97 1u2j n LYS 660 Cb 0.56 -3.91 -0.16 0.00 -0.02 0.00 0.00 35.03 31.50 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 -2.21 0.62 -4.39 1.97 -0.58 -1.26 -4.74 120.64 110.04 1u2j n GLU 661 Ca -0.02 -0.18 -0.21 0.00 -0.42 0.00 0.00 57.16 56.32 1u2j n GLU 661 Cb 0.16 -1.48 -0.16 0.00 -0.57 0.00 0.00 31.44 29.39 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 -4.42 1.69 0.48 -4.62 0.20 -1.26 -3.42 118.68 107.33 1u2j s LEU 662 Ca -0.07 -0.19 0.02 0.00 0.69 0.00 0.00 54.13 54.57 1u2j s LEU 662 Cb 0.13 -0.58 -0.02 0.00 -0.43 0.00 0.00 46.19 45.29 1u2j s LEU 662 CO 0.84 0.04 0.03 -0.36 -0.29 0.00 0.00 176.35 176.62 1u2j s PHE 663 N 0.38 1.86 -0.17 5.38 0.40 0.11 -1.72 117.98 124.23 1u2j s PHE 663 Ca -0.06 -1.03 -0.05 0.00 -0.60 0.00 0.00 56.93 55.19 1u2j s PHE 663 Cb -0.11 -1.51 0.08 0.00 0.51 0.00 0.00 43.02 42.00 1u2j s PHE 663 CO 0.01 0.11 0.29 -2.00 0.70 0.00 0.00 175.22 174.33 1u2j s GLU 664 N -3.83 0.21 -0.01 0.44 2.12 -0.89 -2.49 118.70 114.25 1u2j s GLU 664 Ca 0.11 0.66 -0.23 0.00 0.36 0.00 0.00 54.97 55.87 1u2j s GLU 664 Cb 0.02 -0.25 -0.05 0.00 0.26 0.00 0.00 34.13 34.11 1u2j s GLU 664 CO 0.06 -0.40 0.70 0.20 -0.54 0.00 0.00 175.26 175.28 1u2j s GLY 665 N 2.45 2.68 0.04 -1.50 0.00 -0.41 -2.87 107.32 107.70 1u2j s GLY 665 Ca 0.03 0.16 0.08 0.00 0.00 0.00 0.00 44.72 45.00 1u2j s GLY 665 CO -0.11 1.05 -0.22 0.50 0.00 0.00 0.00 173.10 174.33 1u2j s ARG 666 N 0.26 1.47 0.03 2.90 0.52 -0.51 -1.21 118.95 122.42 1u2j s ARG 666 Ca 0.36 -0.97 -0.30 0.00 -0.52 0.00 0.00 55.73 54.30 1u2j s ARG 666 Cb -0.19 -1.59 -0.06 0.00 0.52 0.00 0.00 34.95 33.63 1u2j s ARG 666 CO 0.20 0.41 1.30 0.34 0.02 0.00 0.00 175.30 177.57 1u2j s ASP 667 N -1.17 6.95 0.07 0.23 -1.08 0.19 -1.58 116.67 120.28 1u2j s ASP 667 Ca 0.08 2.07 -0.15 0.00 -0.52 0.00 0.00 52.55 54.03 1u2j s ASP 667 Cb -0.09 -2.57 -0.04 0.00 -1.46 0.00 0.00 42.92 38.76 1u2j s ASP 667 CO 0.02 -0.61 1.26 -0.09 0.52 0.00 0.00 175.17 176.27 1u2j h ARG 668 N 7.27 -0.08 -0.09 4.34 2.43 -1.39 0.62 114.38 127.49 1u2j h ARG 668 Ca -0.39 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 58.78 1u2j h ARG 668 Cb 1.19 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.75 1u2j h ARG 668 CO 0.86 -0.05 0.03 0.93 -1.51 0.00 0.00 179.97 180.23 1u2j h GLU 669 N -0.08 0.14 -0.06 0.20 5.08 -1.92 -3.33 114.58 114.61 1u2j h GLU 669 Ca 0.06 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1u2j h GLU 669 Cb 0.24 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1u2j h GLU 669 CO -0.39 0.30 0.00 0.25 -1.00 0.00 0.00 179.01 178.17 1u2j n THR 670 N -4.90 0.11 -1.52 1.13 -2.24 -1.21 -4.98 114.28 100.67 1u2j n THR 670 Ca -0.06 -0.56 -0.14 0.00 -2.27 0.00 0.00 64.05 61.03 1u2j n THR 670 Cb 0.14 1.20 -0.05 0.00 -2.10 0.00 0.00 70.33 69.51 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 0.76 1.07 3.83 3.38 0.00 0.22 -4.88 105.19 109.58 1u2j n GLY 671 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 1u2j n GLY 671 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1u2j s GLU 672 N -3.38 4.02 -0.52 1.61 2.02 -1.26 -4.57 118.70 116.62 1u2j s GLU 672 Ca 0.00 1.08 -0.25 0.00 0.02 0.00 0.00 54.97 55.82 1u2j s GLU 672 Cb 0.00 -2.14 0.03 0.00 0.10 0.00 0.00 34.13 32.12 1u2j s GLU 672 CO 0.00 -0.21 0.96 0.08 0.02 0.00 0.00 175.26 176.10 1u2j s VAL 673 N -2.36 4.39 -0.13 2.63 1.01 -1.26 0.57 120.40 125.24 1u2j s VAL 673 Ca 0.61 0.53 0.13 0.00 0.00 0.00 0.00 61.98 63.25 1u2j s VAL 673 Cb -0.10 -4.51 -0.24 0.00 0.00 0.00 0.00 36.38 31.52 1u2j s VAL 673 CO 0.23 -1.02 0.33 1.17 0.00 0.00 0.00 175.10 175.81 1u2j n LYS 674 N 7.43 0.67 -4.00 2.72 3.00 -0.35 -4.99 118.16 122.64 1u2j n LYS 674 Ca 0.04 0.16 -0.08 0.00 -0.00 0.00 0.00 58.31 58.43 1u2j n LYS 674 Cb 0.48 -1.66 -0.09 0.00 0.00 0.00 0.00 35.03 33.76 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 -2.55 0.35 0.31 5.64 0.08 -1.21 -5.01 117.98 115.60 1u2j s PHE 675 Ca -0.10 -0.80 0.05 0.00 0.12 0.00 0.00 56.93 56.19 1u2j s PHE 675 Cb 0.07 -0.25 -0.06 0.00 -0.57 0.00 0.00 43.02 42.21 1u2j s PHE 675 CO 0.81 -0.40 0.03 0.95 -0.10 0.00 0.00 175.22 176.51 1u2j s THR 676 N -3.42 1.32 -0.27 0.64 -4.23 -1.26 -1.29 115.64 107.12 1u2j s THR 676 Ca 0.02 -2.03 -0.23 0.00 -1.18 0.00 0.00 61.69 58.27 1u2j s THR 676 Cb 0.04 -2.70 0.07 0.00 1.34 0.00 0.00 72.50 71.25 1u2j s THR 676 CO -0.08 -0.09 0.71 0.00 -0.54 0.00 0.00 174.62 174.62 1u2j s ALA 677 N -3.21 -1.81 0.90 3.99 0.00 -1.04 0.27 121.76 120.87 1u2j s ALA 677 Ca 0.34 2.12 -0.08 0.00 0.00 0.00 0.00 51.96 54.34 1u2j s ALA 677 Cb 0.08 -1.24 0.14 0.00 0.00 0.00 0.00 23.12 22.09 1u2j s ALA 677 CO 0.14 -0.35 0.83 -1.13 0.00 0.00 0.00 175.76 175.25 1u2j n SER 678 N 3.07 0.28 0.10 0.00 3.41 -1.26 0.09 113.62 119.30 1u2j n SER 678 Ca -0.15 -1.43 -0.05 0.00 -0.26 0.00 0.00 58.87 56.97 1u2j n SER 678 Cb 0.56 -0.61 0.03 0.00 -0.26 0.00 0.00 64.21 63.93 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 0.07 -0.30 4.33 3.08 -1.85 -2.56 114.38 117.16 1u2j h ARG 679 Ca -0.27 -0.08 0.04 0.00 0.07 0.00 0.00 59.98 59.74 1u2j h ARG 679 Cb 0.79 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.85 1u2j h ARG 679 CO 0.21 0.84 0.20 0.00 -1.07 0.00 0.00 179.97 180.15 1u2j h ALA 680 N 1.13 1.96 0.00 0.04 0.00 -1.91 -1.63 119.26 118.85 1u2j h ALA 680 Ca -0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1u2j h ALA 680 Cb 1.42 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 1u2j h ALA 680 CO 0.11 -0.01 -0.02 -0.44 0.00 0.00 0.00 179.25 178.89 1u2j h ASP 681 N 0.26 0.00 0.45 0.00 3.32 -1.88 -3.34 116.42 115.22 1u2j h ASP 681 Ca 0.13 -0.80 -0.04 0.00 0.02 0.00 0.00 57.03 56.34 1u2j h ASP 681 Cb 0.19 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 1u2j h ASP 681 CO -0.03 0.91 -0.19 -0.07 -1.72 0.00 0.00 179.24 178.14 1u2j h LEU 682 N -1.00 0.00 -2.23 1.55 4.07 -1.32 -2.49 115.31 113.89 1u2j h LEU 682 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1u2j h LEU 682 Cb 0.81 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.55 1u2j h LEU 682 CO -0.00 0.19 0.00 1.62 -1.08 0.00 0.00 178.44 179.17 1u2j h VAL 683 N 0.00 0.00 0.00 1.22 3.04 -1.42 -0.25 116.25 118.84 1u2j h VAL 683 Ca -0.00 -0.19 0.00 0.00 -1.01 0.00 0.00 66.70 65.49 1u2j h VAL 683 Cb 0.47 1.14 0.00 0.00 -2.01 0.00 0.00 31.29 30.89 1u2j h VAL 683 CO 0.03 0.00 0.00 0.49 -1.01 0.00 0.00 177.57 177.08 1u2j n PHE 684 N -2.99 0.00 0.14 3.17 3.72 -0.94 -2.26 117.46 118.31 1u2j n PHE 684 Ca -0.01 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.42 1u2j n PHE 684 Cb 0.16 -0.40 -0.05 0.00 -0.94 0.00 0.00 39.48 38.26 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 0.12 0.00 0.09 1.37 0.00 -0.11 -3.47 105.19 103.19 1u2j n GLY 685 Ca 0.06 -0.17 -0.11 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.47 2.11 -4.76 1.61 3.41 -1.18 -4.89 113.62 108.46 1u2j n SER 686 Ca -0.00 -0.07 -0.40 0.00 -0.26 0.00 0.00 58.87 58.14 1u2j n SER 686 Cb 0.14 0.09 -0.04 0.00 -0.26 0.00 0.00 64.21 64.14 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 -5.52 7.21 0.14 4.04 2.47 -0.96 -4.94 114.94 117.38 1u2j s ASN 687 Ca -0.20 2.29 -0.07 0.00 0.42 0.00 0.00 52.86 55.30 1u2j s ASN 687 Cb 0.06 -2.63 -0.05 0.00 -1.45 0.00 0.00 41.25 37.18 1u2j s ASN 687 CO 0.50 -0.20 1.36 -1.28 -3.72 0.00 0.00 177.10 173.77 1u2j h SER 688 N 4.00 0.70 -0.13 -4.21 0.87 -1.91 -0.46 113.55 112.42 1u2j h SER 688 Ca -0.47 -0.47 -0.14 0.00 -1.23 0.00 0.00 61.79 59.49 1u2j h SER 688 Cb 1.21 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.97 1u2j h SER 688 CO 0.68 1.24 -0.46 0.58 -0.53 0.00 0.00 176.83 178.34 1u2j h VAL 689 N 0.39 1.36 0.00 2.23 2.07 -1.97 -2.59 116.25 117.74 1u2j h VAL 689 Ca -0.05 -1.75 -0.11 0.00 0.82 0.00 0.00 66.70 65.62 1u2j h VAL 689 Cb 1.38 2.10 -0.02 0.00 -1.52 0.00 0.00 31.29 33.23 1u2j h VAL 689 CO 0.15 0.53 -0.50 -0.07 0.02 0.00 0.00 177.57 177.70 1u2j h LEU 690 N 0.16 0.00 0.07 2.57 3.38 -1.84 -3.04 115.31 116.61 1u2j h LEU 690 Ca -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1u2j h LEU 690 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1u2j h LEU 690 CO 0.10 0.50 -0.04 -0.09 0.09 0.00 0.00 178.44 179.00 1u2j h ARG 691 N 0.00 -0.09 -1.09 1.13 2.43 -1.10 0.75 114.38 116.41 1u2j h ARG 691 Ca -0.01 0.01 0.31 0.00 -0.81 0.00 0.00 59.98 59.48 1u2j h ARG 691 Cb 1.02 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.54 1u2j h ARG 691 CO 0.07 0.37 0.77 0.00 -1.51 0.00 0.00 179.97 179.66 1u2j h ALA 692 N 0.25 2.91 -0.01 2.80 0.00 -1.41 0.23 119.26 124.02 1u2j h ALA 692 Ca -0.01 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1u2j h ALA 692 Cb 0.51 0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.38 1u2j h ALA 692 CO 0.02 -1.24 -0.27 0.28 0.00 0.00 0.00 179.25 178.04 1u2j h VAL 693 N 0.07 1.52 -0.46 0.00 2.07 -1.20 -3.23 116.25 115.01 1u2j h VAL 693 Ca 0.53 -1.90 0.07 0.00 0.82 0.00 0.00 66.70 66.22 1u2j h VAL 693 Cb 2.00 2.69 -0.06 0.00 -1.52 0.00 0.00 31.29 34.40 1u2j h VAL 693 CO -0.05 0.52 0.10 0.00 0.02 0.00 0.00 177.57 178.16 1u2j h ALA 694 N 0.29 0.52 -0.64 1.67 0.00 0.17 -2.57 119.26 118.70 1u2j h ALA 694 Ca -0.03 0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1u2j h ALA 694 Cb 1.00 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 1u2j h ALA 694 CO 0.05 -0.30 0.43 0.93 0.00 0.00 0.00 179.25 180.36 1u2j h GLU 695 N 0.24 0.82 0.00 0.00 5.08 -1.09 0.10 114.58 119.73 1u2j h GLU 695 Ca 0.23 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1u2j h GLU 695 Cb 0.29 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1u2j h GLU 695 CO -0.29 0.54 0.00 0.28 -1.00 0.00 0.00 179.01 178.54 1u2j h VAL 696 N 0.84 0.00 -0.00 3.13 2.07 -1.48 -0.11 116.25 120.70 1u2j h VAL 696 Ca 0.24 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.39 1u2j h VAL 696 Cb -0.06 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1u2j h VAL 696 CO -0.06 0.00 -0.77 -1.22 0.02 0.00 0.00 177.57 175.55 1u2j n TYR 697 N -2.99 0.00 0.16 1.57 4.01 0.19 -4.25 117.16 115.85 1u2j n TYR 697 Ca -0.00 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.85 1u2j n TYR 697 Cb 0.25 -0.05 0.09 0.00 -0.31 0.00 0.00 39.34 39.32 1u2j n TYR 697 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1u2j h ALA 698 N 3.23 0.76 -2.61 -0.72 0.00 0.69 -3.45 119.26 117.16 1u2j h ALA 698 Ca 0.00 -0.02 -0.54 0.00 0.00 0.00 0.00 54.91 54.35 1u2j h ALA 698 Cb 0.55 0.00 0.07 0.00 0.00 0.00 0.00 17.79 18.41 1u2j h ALA 698 CO 0.00 0.03 0.92 0.43 0.00 0.00 0.00 179.25 180.63 1u2j n SER 699 N -2.91 3.77 -0.15 0.00 7.64 -1.10 -4.78 113.62 116.09 1u2j n SER 699 Ca 0.02 1.09 -0.12 0.00 1.01 0.00 0.00 58.87 60.88 1u2j n SER 699 Cb 0.55 -1.55 -0.07 0.00 -1.01 0.00 0.00 64.21 62.13 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 5.97 -1.66 0.00 6.43 4.64 -1.95 1.48 113.55 128.45 1u2j h SER 700 Ca -0.44 0.24 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 1u2j h SER 700 Cb 1.22 0.71 0.00 0.00 -0.31 0.00 0.00 62.40 64.01 1u2j h SER 700 CO 0.89 -0.38 0.00 -0.90 -0.87 0.00 0.00 176.83 175.57 1u2j n ASP 701 N -5.39 0.13 -0.30 4.97 5.75 -1.26 -2.88 116.55 117.57 1u2j n ASP 701 Ca -0.02 -0.33 0.09 0.00 -0.01 0.00 0.00 54.79 54.52 1u2j n ASP 701 Cb 0.35 -0.07 -0.04 0.00 -1.03 0.00 0.00 41.12 40.34 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 0.22 3.72 -0.18 2.12 0.00 0.51 -4.68 120.51 122.21 1u2j n ALA 702 Ca 0.00 -0.57 -0.02 0.00 0.00 0.00 0.00 53.44 52.84 1u2j n ALA 702 Cb 0.03 -0.68 0.08 0.00 0.00 0.00 0.00 19.45 18.88 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 1.46 0.42 -0.04 0.00 2.76 -1.63 -2.23 115.15 115.89 1u2j h HIS 703 Ca 0.00 0.02 -0.23 0.00 -2.20 0.00 0.00 60.37 57.96 1u2j h HIS 703 Cb 0.59 -0.11 0.01 0.00 1.55 0.00 0.00 27.41 29.45 1u2j h HIS 703 CO 0.00 0.16 -0.91 0.93 -1.30 0.00 0.00 177.93 176.82 1u2j h GLU 704 N 0.45 0.57 -0.24 5.26 5.08 -1.89 -1.85 114.58 121.95 1u2j h GLU 704 Ca 0.26 -0.56 0.05 0.00 -1.00 0.00 0.00 59.36 58.11 1u2j h GLU 704 Cb 0.25 0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.59 1u2j h GLU 704 CO -0.23 1.18 -0.08 -0.22 -1.00 0.00 0.00 179.01 178.67 1u2j h LYS 705 N 0.35 -0.02 -0.19 2.33 3.11 -1.85 -1.89 116.57 118.41 1u2j h LYS 705 Ca -0.08 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.76 1u2j h LYS 705 Cb 1.54 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.76 1u2j h LYS 705 CO 0.17 -0.01 0.12 0.35 -2.81 0.00 0.00 179.45 177.26 1u2j h PHE 706 N -0.02 0.25 0.06 1.91 3.57 -1.00 0.13 116.94 121.85 1u2j h PHE 706 Ca 0.12 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.62 1u2j h PHE 706 Cb 0.21 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 38.86 1u2j h PHE 706 CO -0.26 0.19 -0.03 0.28 -2.23 0.00 0.00 178.31 176.26 1u2j h VAL 707 N 0.23 1.03 -0.44 1.41 2.07 -1.31 0.24 116.25 119.48 1u2j h VAL 707 Ca 0.07 -0.32 0.09 0.00 0.82 0.00 0.00 66.70 67.36 1u2j h VAL 707 Cb 0.01 1.25 -0.09 0.00 -1.52 0.00 0.00 31.29 30.94 1u2j h VAL 707 CO -0.01 0.08 -0.15 0.50 0.02 0.00 0.00 177.57 178.01 1u2j h LYS 708 N -0.23 -0.04 0.40 1.57 3.11 -1.05 0.11 116.57 120.44 1u2j h LYS 708 Ca -0.01 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.81 1u2j h LYS 708 Cb 0.20 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.44 1u2j h LYS 708 CO 0.01 -0.03 -0.19 -0.44 -2.81 0.00 0.00 179.45 175.99 1u2j h ASP 709 N -0.05 -0.46 -0.54 4.20 3.45 -0.34 -1.10 116.42 121.59 1u2j h ASP 709 Ca 0.21 0.01 0.11 0.00 0.43 0.00 0.00 57.03 57.79 1u2j h ASP 709 Cb 0.37 0.12 -0.11 0.00 -0.56 0.00 0.00 39.33 39.16 1u2j h ASP 709 CO -0.48 -0.32 -0.18 0.15 -1.57 0.00 0.00 179.24 176.84 1u2j h PHE 710 N -0.55 -0.41 -0.79 4.55 3.57 -0.23 0.14 116.94 123.22 1u2j h PHE 710 Ca -0.06 0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 1u2j h PHE 710 Cb 0.42 0.26 -0.04 0.00 2.79 0.00 0.00 35.95 39.39 1u2j h PHE 710 CO -0.05 -0.27 0.39 0.28 -2.23 0.00 0.00 178.31 176.43 1u2j h VAL 711 N -0.05 1.25 -0.29 1.41 2.07 -0.71 -0.66 116.25 119.27 1u2j h VAL 711 Ca 0.26 -0.69 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 1u2j h VAL 711 Cb 0.44 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1u2j h VAL 711 CO -0.58 0.29 0.09 0.00 0.02 0.00 0.00 177.57 177.39 1u2j h ALA 712 N 1.20 0.39 0.00 1.67 0.00 0.51 -0.90 119.26 122.13 1u2j h ALA 712 Ca 0.27 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1u2j h ALA 712 Cb 0.11 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1u2j h ALA 712 CO -0.04 0.02 -0.12 0.00 0.00 0.00 0.00 179.25 179.12 1u2j h ALA 713 N 0.92 1.66 -0.01 0.00 0.00 -0.57 -0.45 119.26 120.80 1u2j h ALA 713 Ca 0.09 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1u2j h ALA 713 Cb 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1u2j h ALA 713 CO -0.00 0.15 -0.02 2.35 0.00 0.00 0.00 179.25 181.73 1u2j h TRP 714 N 0.00 0.04 -0.43 0.00 2.91 -0.43 -1.88 115.95 116.15 1u2j h TRP 714 Ca -0.00 -0.02 -0.09 0.00 1.13 0.00 0.00 58.89 59.92 1u2j h TRP 714 Cb 0.24 -0.01 -0.02 0.00 -0.51 0.00 0.00 29.16 28.86 1u2j h TRP 714 CO 0.00 0.68 -0.09 0.28 -1.03 0.00 0.00 178.44 178.28 1u2j h VAL 715 N -0.62 1.25 -0.23 2.65 2.07 -0.90 0.24 116.25 120.72 1u2j h VAL 715 Ca -0.00 -1.13 0.06 0.00 0.82 0.00 0.00 66.70 66.45 1u2j h VAL 715 Cb 0.68 1.02 -0.07 0.00 -1.52 0.00 0.00 31.29 31.39 1u2j h VAL 715 CO 0.01 0.39 -0.35 0.50 0.02 0.00 0.00 177.57 178.13 1u2j h LYS 716 N 0.70 -0.35 -0.72 1.57 3.64 -1.06 -1.44 116.57 118.90 1u2j h LYS 716 Ca 0.12 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.50 1u2j h LYS 716 Cb 0.56 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.42 1u2j h LYS 716 CO 0.03 -0.23 0.34 0.28 -2.27 0.00 0.00 179.45 177.60 1u2j h VAL 717 N -0.37 1.23 0.00 2.00 2.07 -0.70 -1.16 116.25 119.31 1u2j h VAL 717 Ca 0.12 -0.65 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 1u2j h VAL 717 Cb 0.56 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1u2j h VAL 717 CO -0.43 0.27 -0.02 0.24 0.02 0.00 0.00 177.57 177.65 1u2j h MET 718 N 1.02 0.00 -0.12 1.57 2.86 0.30 -3.07 114.93 117.48 1u2j h MET 718 Ca 0.25 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 1u2j h MET 718 Cb 0.11 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.77 1u2j h MET 718 CO -0.03 0.02 0.00 0.09 1.06 0.00 0.00 176.91 178.05 1u2j n ASN 719 N -3.27 2.61 0.00 1.22 3.02 -0.47 -4.73 115.26 113.65 1u2j n ASN 719 Ca -0.02 -2.48 0.10 0.00 -0.03 0.00 0.00 54.58 52.15 1u2j n ASN 719 Cb 0.14 -0.26 0.52 0.00 -0.61 0.00 0.00 39.78 39.57 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 0.73 0.30 -2.63 3.41 3.38 -1.38 -1.76 115.31 117.36 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 0.85 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1u2j h LEU 720 CO 0.04 0.19 0.00 -0.90 0.09 0.00 0.00 178.44 177.86 1u2j n ASP 721 N -4.47 3.27 -1.80 -0.43 5.75 -1.26 -4.58 116.55 113.02 1u2j n ASP 721 Ca 0.06 -1.95 -0.08 0.00 -0.01 0.00 0.00 54.79 52.81 1u2j n ASP 721 Cb 0.27 -0.30 -0.08 0.00 -1.03 0.00 0.00 41.12 39.97 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 1.05 1.58 0.11 0.11 5.12 -0.66 -4.35 116.66 119.62 1u2j n ARG 722 Ca 0.17 -0.65 0.18 0.00 -1.93 0.00 0.00 57.85 55.61 1u2j n ARG 722 Cb 0.51 -1.56 0.73 0.00 -1.16 0.00 0.00 32.46 30.98 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 2.09 0.00 0.00 -1.55 0.04 -1.82 -2.91 116.94 112.79 1u2j h PHE 723 Ca 0.12 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.89 1u2j h PHE 723 Cb 1.24 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.39 1u2j h PHE 723 CO 1.07 0.00 0.00 -0.40 -0.60 0.00 0.00 178.31 178.38 1u2j n ASP 724 N -4.16 0.86 0.00 2.17 5.75 -1.26 -2.38 116.55 117.53 1u2j n ASP 724 Ca 0.05 -0.57 0.00 0.00 -0.01 0.00 0.00 54.79 54.26 1u2j n ASP 724 Cb 0.45 -0.14 0.00 0.00 -1.03 0.00 0.00 41.12 40.40 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 0.87 0.00 -0.51 -2.12 7.94 -1.10 -5.16 117.00 116.92 1u2j n LEU 725 Ca 0.00 -0.17 0.06 0.00 -1.11 0.00 0.00 56.01 54.79 1u2j n LEU 725 Cb 0.14 0.00 0.05 0.00 0.53 0.00 0.00 43.42 44.14 1u2j n LEU 725 CO 0.00 0.33 0.45 0.18 -1.11 0.00 0.00 177.39 177.24