#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 0.80 -2.92 -0.08 2.04 -2.06 -3.44 117.51 111.85 1u2j h ILE 433 Ca 0.00 -0.88 -0.62 0.00 1.00 0.00 0.00 64.86 64.36 1u2j h ILE 433 Cb 0.00 1.26 -0.05 0.00 -0.74 0.00 0.00 36.82 37.28 1u2j h ILE 433 CO 0.00 0.17 -0.32 0.86 0.00 0.00 0.00 178.15 178.86 1u2j s TRP 434 N -4.03 3.63 -0.11 1.37 -0.11 -1.26 -5.09 118.94 113.35 1u2j s TRP 434 Ca -0.13 0.74 -0.02 0.00 1.22 0.00 0.00 56.10 57.91 1u2j s TRP 434 Cb 0.01 -2.11 0.04 0.00 -1.50 0.00 0.00 33.47 29.91 1u2j s TRP 434 CO 0.52 0.63 0.01 -0.65 -4.62 0.00 0.00 176.95 172.84 1u2j s GLN 435 N -1.41 0.63 -0.27 5.86 -1.52 -1.26 -5.11 119.66 116.57 1u2j s GLN 435 Ca 0.25 -0.04 -0.29 0.00 -1.95 0.00 0.00 55.36 53.33 1u2j s GLN 435 Cb -0.14 -1.29 0.00 0.00 -0.22 0.00 0.00 33.01 31.36 1u2j s GLN 435 CO 0.13 -0.40 1.18 -0.51 -0.25 0.00 0.00 175.29 175.45 1u2j s ASP 436 N 1.94 6.87 0.31 5.90 1.01 -1.26 -5.03 116.67 126.41 1u2j s ASP 436 Ca 0.03 1.27 -0.23 0.00 0.71 0.00 0.00 52.55 54.33 1u2j s ASP 436 Cb -0.14 -2.54 -0.09 0.00 1.01 0.00 0.00 42.92 41.16 1u2j s ASP 436 CO -0.06 -0.90 0.87 -2.16 0.21 0.00 0.00 175.17 173.13 1u2j s PRO 437 N 3.74 4.39 0.08 8.23 0.04 -1.26 -5.09 135.00 145.14 1u2j s PRO 437 Ca 0.51 1.12 0.09 0.00 0.04 0.00 0.00 61.00 62.75 1u2j s PRO 437 Cb -0.16 -2.71 -0.03 0.00 0.04 0.00 0.00 34.50 31.64 1u2j s PRO 437 CO 0.17 0.26 -0.24 -0.51 0.04 0.00 0.00 177.00 176.72 1u2j s LEU 438 N -2.26 2.24 0.80 -3.56 2.01 -1.26 -4.83 118.68 111.83 1u2j s LEU 438 Ca 0.50 -0.64 -0.12 0.00 0.01 0.00 0.00 54.13 53.89 1u2j s LEU 438 Cb -0.16 -1.09 0.07 0.00 0.01 0.00 0.00 46.19 45.02 1u2j s LEU 438 CO 0.21 0.16 1.10 -2.16 1.01 0.00 0.00 176.35 176.67 1u2j s PRO 439 N -1.61 2.06 0.77 1.29 0.04 -1.26 -5.04 135.00 131.25 1u2j s PRO 439 Ca 0.10 0.60 -0.12 0.00 0.04 0.00 0.00 61.00 61.62 1u2j s PRO 439 Cb -0.10 -1.92 0.06 0.00 0.04 0.00 0.00 34.50 32.59 1u2j s PRO 439 CO 0.04 -1.63 1.12 -1.14 0.04 0.00 0.00 177.00 175.43 1u2j s GLN 440 N -5.18 2.08 0.33 4.56 2.00 -1.26 -4.92 119.66 117.26 1u2j s GLN 440 Ca 0.61 1.38 -0.29 0.00 -2.00 0.00 0.00 55.36 55.06 1u2j s GLN 440 Cb -0.14 -1.86 -0.10 0.00 0.80 0.00 0.00 33.01 31.70 1u2j s GLN 440 CO 0.54 -1.80 1.39 -2.14 -0.50 0.00 0.00 175.29 172.78 1u2j s PRO 441 N -4.55 4.26 0.00 1.67 0.02 -1.26 -4.93 135.00 130.21 1u2j s PRO 441 Ca 0.65 2.35 0.02 0.00 0.02 0.00 0.00 61.00 64.04 1u2j s PRO 441 Cb -0.21 -3.05 0.05 0.00 0.02 0.00 0.00 34.50 31.32 1u2j s PRO 441 CO 0.52 -0.35 1.03 -0.89 -0.33 0.00 0.00 177.00 176.98 1u2j n ILE 442 N 1.04 0.98 -4.24 2.83 2.08 -1.26 -5.02 119.36 115.77 1u2j n ILE 442 Ca 0.02 -0.99 -0.14 0.00 0.56 0.00 0.00 62.75 62.20 1u2j n ILE 442 Cb 0.41 0.51 -0.10 0.00 -0.75 0.00 0.00 39.64 39.71 1u2j n ILE 442 CO 0.00 0.00 0.00 -0.31 0.56 0.00 0.00 176.55 176.80 1u2j s TYR 443 N -0.98 1.22 -0.20 1.39 1.51 -1.26 -5.07 117.35 113.96 1u2j s TYR 443 Ca 0.04 -0.83 -0.04 0.00 -1.01 0.00 0.00 57.07 55.22 1u2j s TYR 443 Cb 0.02 -0.65 0.10 0.00 -0.11 0.00 0.00 41.96 41.32 1u2j s TYR 443 CO 0.03 -0.00 0.34 0.54 -1.11 0.00 0.00 175.55 175.35 1u2j s ASN 444 N -3.16 0.28 0.33 2.29 4.22 -1.26 -5.03 114.94 112.62 1u2j s ASN 444 Ca 0.18 0.46 -0.29 0.00 -2.14 0.00 0.00 52.86 51.07 1u2j s ASN 444 Cb 0.04 0.99 -0.11 0.00 1.28 0.00 0.00 41.25 43.45 1u2j s ASN 444 CO 0.01 -0.27 1.45 -2.16 -2.04 0.00 0.00 177.10 174.09 1u2j s PRO 445 N 2.51 4.20 0.71 3.55 0.04 -1.18 -5.02 135.00 139.80 1u2j s PRO 445 Ca 0.05 2.45 -0.11 0.00 0.04 0.00 0.00 61.00 63.43 1u2j s PRO 445 Cb -0.14 -3.02 0.02 0.00 0.04 0.00 0.00 34.50 31.40 1u2j s PRO 445 CO -0.13 -0.45 1.09 0.95 0.04 0.00 0.00 177.00 178.51 1u2j s THR 446 N -0.80 3.57 0.08 1.26 -4.23 -1.26 -4.90 115.64 109.37 1u2j s THR 446 Ca 0.54 0.51 -0.19 0.00 -1.18 0.00 0.00 61.69 61.37 1u2j s THR 446 Cb -0.44 -3.45 -0.05 0.00 1.34 0.00 0.00 72.50 69.89 1u2j s THR 446 CO 0.55 -0.67 1.32 -0.33 -0.54 0.00 0.00 174.62 174.96 1u2j h GLU 447 N -0.69 -0.12 -1.01 3.99 4.39 -2.00 -0.47 114.58 118.67 1u2j h GLU 447 Ca -0.45 0.01 0.23 0.00 0.34 0.00 0.00 59.36 59.49 1u2j h GLU 447 Cb 1.25 0.03 -0.11 0.00 -0.10 0.00 0.00 28.75 29.81 1u2j h GLU 447 CO 0.63 -0.08 0.61 0.37 -1.16 0.00 0.00 179.01 179.38 1u2j h GLN 448 N -0.13 0.58 -0.98 2.33 5.75 -1.99 1.31 115.11 121.97 1u2j h GLN 448 Ca 0.07 -0.03 0.21 0.00 -0.15 0.00 0.00 58.65 58.74 1u2j h GLN 448 Cb 0.30 -0.13 -0.09 0.00 1.07 0.00 0.00 27.48 28.63 1u2j h GLN 448 CO -0.44 0.38 0.62 -0.44 -2.65 0.00 0.00 178.83 176.30 1u2j h ASP 449 N 0.60 0.59 0.05 -0.69 3.45 -1.47 -1.81 116.42 117.13 1u2j h ASP 449 Ca 0.61 0.08 -0.23 0.00 0.43 0.00 0.00 57.03 57.92 1u2j h ASP 449 Cb 1.18 -0.03 0.02 0.00 -0.56 0.00 0.00 39.33 39.95 1u2j h ASP 449 CO -0.41 0.19 -0.94 0.40 -1.57 0.00 0.00 179.24 176.92 1u2j h ILE 450 N 0.57 1.35 0.00 0.35 1.08 0.25 -1.33 117.51 119.77 1u2j h ILE 450 Ca 0.55 -2.28 -0.05 0.00 -0.39 0.00 0.00 64.86 62.70 1u2j h ILE 450 Cb 1.13 2.62 -0.01 0.00 -3.07 0.00 0.00 36.82 37.49 1u2j h ILE 450 CO -0.30 0.68 -0.24 0.40 -0.69 0.00 0.00 178.15 178.00 1u2j h ILE 451 N 0.13 1.10 0.00 -0.67 2.04 -0.99 0.63 117.51 119.76 1u2j h ILE 451 Ca -0.13 -0.83 -0.01 0.00 1.00 0.00 0.00 64.86 64.89 1u2j h ILE 451 Cb 1.63 1.46 -0.00 0.00 -0.74 0.00 0.00 36.82 39.17 1u2j h ILE 451 CO 0.18 0.23 -0.84 0.44 0.00 0.00 0.00 178.15 178.17 1u2j h ASP 452 N 0.00 0.00 -0.30 1.72 3.32 -1.23 -1.64 116.42 118.29 1u2j h ASP 452 Ca -0.00 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.94 1u2j h ASP 452 Cb 0.44 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 1u2j h ASP 452 CO 0.03 0.04 -0.25 -0.07 -1.72 0.00 0.00 179.24 177.26 1u2j h LEU 453 N 0.00 0.74 0.03 1.55 3.38 -0.30 -2.43 115.31 118.28 1u2j h LEU 453 Ca -0.01 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1u2j h LEU 453 Cb 1.03 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1u2j h LEU 453 CO 0.00 1.04 -0.08 0.11 0.09 0.00 0.00 178.44 179.61 1u2j h LYS 454 N 0.44 -0.12 -0.93 1.13 1.57 -0.80 0.34 116.57 118.21 1u2j h LYS 454 Ca 0.05 0.01 0.25 0.00 -1.87 0.00 0.00 60.65 59.10 1u2j h LYS 454 Cb 0.81 0.03 -0.17 0.00 0.08 0.00 0.00 32.23 32.98 1u2j h LYS 454 CO 0.06 -0.08 0.02 0.34 -0.57 0.00 0.00 179.45 179.22 1u2j n PHE 455 N -2.83 0.59 0.16 -1.35 7.35 -0.63 -0.30 117.46 120.45 1u2j n PHE 455 Ca -0.01 1.12 0.02 0.00 -0.76 0.00 0.00 57.45 57.81 1u2j n PHE 455 Cb 0.06 -1.20 0.27 0.00 0.35 0.00 0.00 39.48 38.96 1u2j n PHE 455 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1u2j h ALA 456 N 1.86 1.05 -0.04 3.13 0.00 -0.81 -2.11 119.26 122.34 1u2j h ALA 456 Ca 0.56 -0.44 -0.17 0.00 0.00 0.00 0.00 54.91 54.86 1u2j h ALA 456 Cb 1.16 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.88 1u2j h ALA 456 CO -0.87 0.61 -0.64 0.82 0.00 0.00 0.00 179.25 179.17 1u2j h ILE 457 N 0.00 1.38 0.00 0.00 1.08 0.27 -3.25 117.51 117.00 1u2j h ILE 457 Ca -0.00 -2.02 0.00 0.00 -0.39 0.00 0.00 64.86 62.45 1u2j h ILE 457 Cb 0.95 2.41 0.00 0.00 -3.07 0.00 0.00 36.82 37.11 1u2j h ILE 457 CO 0.06 0.60 0.00 0.00 -0.69 0.00 0.00 178.15 178.12 1u2j n ALA 458 N -2.58 2.44 -0.40 1.87 0.00 0.23 -2.77 120.51 119.29 1u2j n ALA 458 Ca -0.10 -0.14 0.04 0.00 0.00 0.00 0.00 53.44 53.24 1u2j n ALA 458 Cb 0.68 -1.47 0.06 0.00 0.00 0.00 0.00 19.45 18.73 1u2j n ALA 458 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1u2j n ASP 459 N -1.25 2.23 -0.78 0.00 2.03 -0.81 -4.50 116.55 113.47 1u2j n ASP 459 Ca 0.15 -2.40 0.12 0.00 0.52 0.00 0.00 54.79 53.18 1u2j n ASP 459 Cb 0.22 -0.18 0.30 0.00 -0.72 0.00 0.00 41.12 40.74 1u2j n ASP 459 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1u2j n SER 460 N -0.76 2.39 -1.23 1.67 3.41 -1.12 -4.94 113.62 113.04 1u2j n SER 460 Ca 0.07 -1.80 -0.13 0.00 -0.26 0.00 0.00 58.87 56.75 1u2j n SER 460 Cb 0.41 -0.08 -0.03 0.00 -0.26 0.00 0.00 64.21 64.25 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 1.29 0.57 3.66 5.00 0.00 -1.26 -5.00 105.19 109.45 1u2j n GLY 461 Ca 0.17 -0.39 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 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 -3.32 4.12 1.07 0.99 1.43 -1.26 -5.03 118.68 116.67 1u2j s LEU 462 Ca 0.00 1.37 -0.15 0.00 -1.03 0.00 0.00 54.13 54.32 1u2j s LEU 462 Cb 0.00 -3.51 0.14 0.00 0.03 0.00 0.00 46.19 42.85 1u2j s LEU 462 CO 0.00 -0.62 0.49 -1.54 0.23 0.00 0.00 176.35 174.91 1u2j n SER 463 N 6.11 -1.82 0.06 2.29 3.41 -1.26 -4.78 113.62 117.62 1u2j n SER 463 Ca 0.11 0.04 -0.13 0.00 -0.26 0.00 0.00 58.87 58.63 1u2j n SER 463 Cb 0.47 -1.16 -0.09 0.00 -0.26 0.00 0.00 64.21 63.17 1u2j n SER 463 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1u2j h VAL 464 N -2.09 1.05 -0.92 -3.33 2.07 -1.91 -0.06 116.25 111.06 1u2j h VAL 464 Ca -0.52 -0.81 0.19 0.00 0.82 0.00 0.00 66.70 66.38 1u2j h VAL 464 Cb 1.32 1.55 -0.17 0.00 -1.52 0.00 0.00 31.29 32.47 1u2j h VAL 464 CO 0.40 0.19 -0.19 -1.28 0.02 0.00 0.00 177.57 176.71 1u2j h SER 465 N -0.56 -0.80 0.51 0.57 0.87 -1.86 0.80 113.55 113.09 1u2j h SER 465 Ca -0.02 0.27 -0.14 0.00 -1.23 0.00 0.00 61.79 60.68 1u2j h SER 465 Cb 0.44 0.55 -0.02 0.00 -0.44 0.00 0.00 62.40 62.94 1u2j h SER 465 CO 0.03 -0.30 -0.62 -0.33 -0.53 0.00 0.00 176.83 175.07 1u2j h GLU 466 N 0.00 0.11 -0.18 2.24 5.08 -1.84 -0.87 114.58 119.13 1u2j h GLU 466 Ca 0.46 -0.08 -0.21 0.00 -1.00 0.00 0.00 59.36 58.53 1u2j h GLU 466 Cb 0.73 0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.00 1u2j h GLU 466 CO -0.94 0.69 -0.71 -0.07 -1.00 0.00 0.00 179.01 176.99 1u2j h LEU 467 N 0.08 0.88 -0.39 1.33 3.38 0.23 -2.63 115.31 118.19 1u2j h LEU 467 Ca -0.01 -0.55 -0.19 0.00 0.09 0.00 0.00 57.88 57.23 1u2j h LEU 467 Cb 1.11 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 1u2j h LEU 467 CO 0.09 1.34 -0.70 0.58 0.09 0.00 0.00 178.44 179.83 1u2j h VAL 468 N 0.53 1.35 -0.17 1.22 2.07 0.30 -3.30 116.25 118.26 1u2j h VAL 468 Ca -0.03 -2.05 -0.01 0.00 0.82 0.00 0.00 66.70 65.43 1u2j h VAL 468 Cb 1.32 2.03 -0.01 0.00 -1.52 0.00 0.00 31.29 33.11 1u2j h VAL 468 CO 0.15 0.63 0.08 0.28 0.02 0.00 0.00 177.57 178.72 1u2j h SER 469 N 0.34 0.22 0.12 0.57 0.02 -0.95 -0.75 113.55 113.13 1u2j h SER 469 Ca -0.03 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 60.80 1u2j h SER 469 Cb 1.28 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.77 1u2j h SER 469 CO 0.13 0.28 -0.06 -0.37 -1.14 0.00 0.00 176.83 175.67 1u2j h VAL 470 N 0.15 1.04 -0.56 2.27 -1.51 -1.60 0.24 116.25 116.28 1u2j h VAL 470 Ca 0.06 -0.69 0.11 0.00 -1.23 0.00 0.00 66.70 64.96 1u2j h VAL 470 Cb 0.11 1.47 -0.10 0.00 -2.13 0.00 0.00 31.29 30.64 1u2j h VAL 470 CO -0.01 0.16 -0.11 0.00 -1.23 0.00 0.00 177.57 176.39 1u2j h ALA 471 N 0.34 0.41 -0.59 5.19 0.00 -1.63 0.26 119.26 123.24 1u2j h ALA 471 Ca -0.02 0.21 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 1u2j h ALA 471 Cb 0.39 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1u2j h ALA 471 CO 0.03 -0.43 0.12 2.35 0.00 0.00 0.00 179.25 181.32 1u2j h TRP 472 N 0.02 0.97 0.00 0.00 2.91 -0.98 0.13 115.95 118.99 1u2j h TRP 472 Ca 0.27 -0.10 -0.06 0.00 1.13 0.00 0.00 58.89 60.13 1u2j h TRP 472 Cb 0.42 -0.28 -0.01 0.00 -0.51 0.00 0.00 29.16 28.79 1u2j h TRP 472 CO -0.44 0.81 -0.27 0.00 -1.03 0.00 0.00 178.44 177.52 1u2j h ALA 473 N 1.25 1.19 0.10 2.65 0.00 0.80 -0.73 119.26 124.51 1u2j h ALA 473 Ca 0.19 -0.24 -0.20 0.00 0.00 0.00 0.00 54.91 54.65 1u2j h ALA 473 Cb 0.35 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.11 1u2j h ALA 473 CO 0.00 0.33 -0.85 1.03 0.00 0.00 0.00 179.25 179.77 1u2j h SER 474 N 0.00 0.58 0.65 0.00 0.87 0.26 -3.38 113.55 112.53 1u2j h SER 474 Ca -0.00 -0.87 -0.27 0.00 -1.23 0.00 0.00 61.79 59.42 1u2j h SER 474 Cb 0.63 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.38 1u2j h SER 474 CO 0.03 1.39 -1.41 0.00 -0.53 0.00 0.00 176.83 176.31 1u2j h ALA 475 N 0.20 0.46 0.00 6.23 0.00 -0.55 -3.30 119.26 122.30 1u2j h ALA 475 Ca -0.13 -1.16 0.00 0.00 0.00 0.00 0.00 54.91 53.62 1u2j h ALA 475 Cb 1.60 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.59 1u2j h ALA 475 CO 0.16 1.32 0.00 -1.13 0.00 0.00 0.00 179.25 179.60 1u2j n SER 476 N -3.29 0.00 0.01 0.00 3.41 -0.32 -2.74 113.62 110.69 1u2j n SER 476 Ca -0.11 -0.94 0.14 0.00 -0.26 0.00 0.00 58.87 57.70 1u2j n SER 476 Cb 1.01 0.00 0.57 0.00 -0.26 0.00 0.00 64.21 65.53 1u2j n SER 476 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1u2j n THR 477 N -1.00 0.07 -1.66 6.66 -2.24 -1.26 -4.88 114.28 109.96 1u2j n THR 477 Ca 0.22 -0.03 -0.43 0.00 -2.27 0.00 0.00 64.05 61.54 1u2j n THR 477 Cb 0.10 -0.47 -0.01 0.00 -2.10 0.00 0.00 70.33 67.86 1u2j n THR 477 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1u2j n PHE 478 N -1.59 1.97 -4.14 4.78 7.35 -1.11 -4.19 117.46 120.53 1u2j n PHE 478 Ca 0.07 0.59 -0.25 0.00 -0.76 0.00 0.00 57.45 57.10 1u2j n PHE 478 Cb 0.35 -2.37 -0.17 0.00 0.35 0.00 0.00 39.48 37.65 1u2j n PHE 478 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 1u2j s ARG 479 N -1.69 1.39 0.27 -4.13 1.81 -0.75 -4.40 118.95 111.46 1u2j s ARG 479 Ca 0.57 -0.25 0.25 0.00 -1.72 0.00 0.00 55.73 54.58 1u2j s ARG 479 Cb -0.61 -1.36 0.95 0.00 -0.45 0.00 0.00 34.95 33.47 1u2j s ARG 479 CO 0.61 -0.15 1.74 0.78 -0.68 0.00 0.00 175.30 177.60 1u2j h GLY 480 N 7.68 0.00 0.00 -3.53 0.00 -1.32 0.25 103.07 106.15 1u2j h GLY 480 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1u2j h GLY 480 CO 0.42 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.57 1u2j n GLY 481 N 0.35 -2.28 0.62 4.60 0.00 -1.26 -4.08 105.19 103.14 1u2j n GLY 481 Ca 0.03 0.36 0.11 0.00 0.00 0.00 0.00 46.02 46.51 1u2j n GLY 481 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1u2j n ASP 482 N -0.51 2.29 -0.12 1.61 5.68 -1.24 -4.95 116.55 119.30 1u2j n ASP 482 Ca 0.00 -1.64 -0.01 0.00 -0.50 0.00 0.00 54.79 52.63 1u2j n ASP 482 Cb 0.00 0.32 -0.00 0.00 -1.14 0.00 0.00 41.12 40.30 1u2j n ASP 482 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1u2j n LYS 483 N 0.40 -0.09 -2.30 0.11 4.01 0.88 -4.67 118.16 116.50 1u2j n LYS 483 Ca 0.10 0.26 -0.26 0.00 -0.51 0.00 0.00 58.31 57.90 1u2j n LYS 483 Cb 0.49 -3.82 0.05 0.00 -0.51 0.00 0.00 35.03 31.25 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 -3.26 2.44 0.87 1.97 0.52 -1.20 -4.86 118.95 115.41 1u2j s ARG 484 Ca 0.00 -0.23 0.00 0.00 -0.52 0.00 0.00 55.73 54.98 1u2j s ARG 484 Cb 0.00 -2.23 0.00 0.00 0.52 0.00 0.00 34.95 33.24 1u2j s ARG 484 CO 0.00 -1.04 0.00 0.41 0.02 0.00 0.00 175.30 174.69 1u2j n GLY 485 N -2.77 -2.12 0.00 -3.53 0.00 -1.26 -1.80 105.19 93.71 1u2j n GLY 485 Ca 0.07 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.63 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 -0.10 0.52 0.05 -0.02 0.00 -1.25 -4.49 105.19 99.90 1u2j n GLY 486 Ca 0.00 -2.14 0.08 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 n ALA 487 N 0.83 4.17 -1.79 4.61 0.00 -1.24 -4.65 120.51 122.44 1u2j n ALA 487 Ca 0.00 -0.51 -0.41 0.00 0.00 0.00 0.00 53.44 52.52 1u2j n ALA 487 Cb 0.00 -0.64 -0.02 0.00 0.00 0.00 0.00 19.45 18.79 1u2j n ALA 487 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1u2j s ASN 488 N -2.59 6.73 0.00 0.00 3.84 -1.26 -2.73 114.94 118.93 1u2j s ASN 488 Ca 0.08 2.70 0.00 0.00 0.21 0.00 0.00 52.86 55.85 1u2j s ASN 488 Cb 0.13 -2.65 0.00 0.00 -0.55 0.00 0.00 41.25 38.19 1u2j s ASN 488 CO 0.69 -0.58 0.00 0.61 -2.79 0.00 0.00 177.10 175.03 1u2j n GLY 489 N 1.00 0.86 4.04 1.21 0.00 0.19 -4.48 105.19 108.00 1u2j n GLY 489 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.41 -2.14 0.72 4.61 0.00 -1.10 -0.20 120.51 120.99 1u2j n ALA 490 Ca 0.00 -0.35 0.13 0.00 0.00 0.00 0.00 53.44 53.22 1u2j n ALA 490 Cb 0.00 -1.69 0.48 0.00 0.00 0.00 0.00 19.45 18.23 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 -4.50 0.16 0.06 0.00 1.74 -1.26 -2.71 116.66 110.14 1u2j n ARG 491 Ca -0.27 0.17 0.07 0.00 -0.77 0.00 0.00 57.85 57.05 1u2j n ARG 491 Cb 0.67 -1.70 0.32 0.00 -1.02 0.00 0.00 32.46 30.72 1u2j n ARG 491 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1u2j n LEU 492 N -1.99 0.24 -0.24 0.55 7.94 -1.26 -0.45 117.00 121.79 1u2j n LEU 492 Ca 0.06 0.58 0.11 0.00 -1.11 0.00 0.00 56.01 55.65 1u2j n LEU 492 Cb 0.37 -0.57 0.05 0.00 0.53 0.00 0.00 43.42 43.80 1u2j n LEU 492 CO 0.28 -0.49 0.27 0.00 -1.11 0.00 0.00 177.39 176.33 1u2j n ALA 493 N -1.61 3.86 -2.24 1.96 0.00 -1.10 -2.63 120.51 118.75 1u2j n ALA 493 Ca 0.02 -0.56 -0.22 0.00 0.00 0.00 0.00 53.44 52.67 1u2j n ALA 493 Cb 0.12 -0.88 -0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 -2.71 3.11 0.17 0.00 1.43 0.40 -4.79 118.68 116.29 1u2j s LEU 494 Ca 0.15 -0.93 -0.22 0.00 -1.03 0.00 0.00 54.13 52.11 1u2j s LEU 494 Cb 0.18 -1.70 -0.08 0.00 0.03 0.00 0.00 46.19 44.62 1u2j s LEU 494 CO 0.67 -0.94 0.72 -0.04 0.23 0.00 0.00 176.35 176.99 1u2j s MET 495 N -4.29 4.38 0.00 1.70 -1.94 -1.26 -0.87 119.30 117.02 1u2j s MET 495 Ca 0.46 0.97 0.25 0.00 -1.71 0.00 0.00 55.69 55.65 1u2j s MET 495 Cb -0.03 -3.10 0.34 0.00 2.01 0.00 0.00 34.83 34.04 1u2j s MET 495 CO 0.28 0.51 1.33 -0.35 -0.01 0.00 0.00 175.02 176.78 1u2j n PRO 496 N 1.27 1.84 -0.30 2.03 -0.04 -1.26 -4.66 135.00 133.88 1u2j n PRO 496 Ca -0.05 -1.44 -0.05 0.00 -0.04 0.00 0.00 63.50 61.92 1u2j n PRO 496 Cb 0.50 -1.47 0.07 0.00 -0.04 0.00 0.00 33.50 32.56 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 3.51 1.21 -1.39 0.54 4.20 -1.65 -2.71 115.11 118.82 1u2j h GLN 497 Ca 0.00 -0.21 0.46 0.00 0.06 0.00 0.00 58.65 58.96 1u2j h GLN 497 Cb 0.82 -0.20 -0.12 0.00 0.30 0.00 0.00 27.48 28.28 1u2j h GLN 497 CO 0.00 0.96 0.92 -2.13 -0.67 0.00 0.00 178.83 177.91 1u2j n ARG 498 N -4.28 -0.03 -0.05 1.46 0.63 -0.05 -1.48 116.66 112.85 1u2j n ARG 498 Ca 0.08 1.14 0.03 0.00 -0.92 0.00 0.00 57.85 58.18 1u2j n ARG 498 Cb 0.18 -2.32 0.06 0.00 0.45 0.00 0.00 32.46 30.82 1u2j n ARG 498 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1u2j n ASP 499 N -4.44 2.04 -4.67 6.15 8.00 -1.02 -4.85 116.55 117.75 1u2j n ASP 499 Ca 0.38 -1.66 -0.44 0.00 0.71 0.00 0.00 54.79 53.79 1u2j n ASP 499 Cb 1.54 -0.07 -0.02 0.00 -0.02 0.00 0.00 41.12 42.56 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 0.17 2.11 -0.27 1.24 8.01 -0.55 -4.92 117.44 123.23 1u2j n TRP 500 Ca 0.05 0.51 0.09 0.00 -1.31 0.00 0.00 57.50 56.84 1u2j n TRP 500 Cb 0.25 -2.42 0.23 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 3.28 0.01 0.27 -0.99 3.45 -1.95 -0.68 116.42 119.81 1u2j h ASP 501 Ca -0.45 0.17 0.00 0.00 0.43 0.00 0.00 57.03 57.18 1u2j h ASP 501 Cb 1.29 0.23 0.00 0.00 -0.56 0.00 0.00 39.33 40.28 1u2j h ASP 501 CO 0.69 -0.08 0.00 1.33 -1.57 0.00 0.00 179.24 179.60 1u2j n VAL 502 N -5.18 1.04 0.24 -1.35 0.24 -1.26 -2.95 118.33 109.11 1u2j n VAL 502 Ca 0.17 0.53 0.08 0.00 -2.04 0.00 0.00 64.34 63.08 1u2j n VAL 502 Cb 0.55 -1.49 0.13 0.00 -1.47 0.00 0.00 33.84 31.56 1u2j n VAL 502 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1u2j n ASN 503 N -2.16 2.76 -1.77 -1.34 3.02 -0.26 -4.71 115.26 110.80 1u2j n ASN 503 Ca 0.00 -1.81 -0.12 0.00 -0.03 0.00 0.00 54.58 52.62 1u2j n ASN 503 Cb 0.10 -0.15 0.15 0.00 -0.61 0.00 0.00 39.78 39.28 1u2j n ASN 503 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1u2j n ALA 504 N 0.90 4.40 -1.97 5.41 0.00 -1.15 -1.46 120.51 126.64 1u2j n ALA 504 Ca 0.12 -1.85 0.00 0.00 0.00 0.00 0.00 53.44 51.71 1u2j n ALA 504 Cb 0.44 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.62 1u2j n ALA 504 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u2j n ALA 505 N -0.42 1.56 0.00 0.00 0.00 -1.26 -4.77 120.51 115.62 1u2j n ALA 505 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1u2j n ALA 505 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.68 1u2j n ALA 505 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u2j n ALA 506 N 0.00 1.24 0.59 0.00 0.00 -1.04 -4.72 120.51 116.59 1u2j n ALA 506 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1u2j n ALA 506 Cb 0.49 0.06 0.45 0.00 0.00 0.00 0.00 19.45 20.45 1u2j n ALA 506 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1u2j n VAL 507 N -0.99 0.63 -0.29 0.00 3.14 -0.53 -1.85 118.33 118.43 1u2j n VAL 507 Ca 0.00 -0.04 0.28 0.00 -2.96 0.00 0.00 64.34 61.62 1u2j n VAL 507 Cb 0.11 -0.79 0.64 0.00 -1.06 0.00 0.00 33.84 32.74 1u2j n VAL 507 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 1u2j h ARG 508 N 0.00 0.17 0.00 1.45 9.65 -1.84 -2.84 114.38 120.97 1u2j h ARG 508 Ca 0.00 -0.01 -0.10 0.00 -1.10 0.00 0.00 59.98 58.77 1u2j h ARG 508 Cb 0.55 -0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 29.07 1u2j h ARG 508 CO 0.00 0.12 -1.58 0.00 2.80 0.00 0.00 179.97 181.31 1u2j n ALA 509 N -2.63 2.26 -0.36 2.80 0.00 -0.77 -4.32 120.51 117.50 1u2j n ALA 509 Ca 0.24 -0.55 -0.04 0.00 0.00 0.00 0.00 53.44 53.09 1u2j n ALA 509 Cb 1.02 -0.85 0.01 0.00 0.00 0.00 0.00 19.45 19.63 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 -1.55 -1.33 0.00 3.38 -1.58 -1.54 115.31 112.69 1u2j h LEU 510 Ca -0.13 0.30 0.07 0.00 0.09 0.00 0.00 57.88 58.22 1u2j h LEU 510 Cb 1.36 0.77 -0.05 0.00 0.09 0.00 0.00 40.66 42.83 1u2j h LEU 510 CO 0.02 -0.28 0.51 -0.65 0.09 0.00 0.00 178.44 178.12 1u2j h PRO 511 N -0.04 0.76 -0.00 1.13 0.11 -1.75 0.11 132.00 132.33 1u2j h PRO 511 Ca 0.29 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.35 1u2j h PRO 511 Cb 0.56 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.49 1u2j h PRO 511 CO -0.93 0.51 -0.00 0.28 -0.21 0.00 0.00 178.00 177.65 1u2j h VAL 512 N 0.79 1.31 0.00 3.15 2.07 -1.55 -2.65 116.25 119.37 1u2j h VAL 512 Ca 0.34 -0.92 -0.02 0.00 0.82 0.00 0.00 66.70 66.92 1u2j h VAL 512 Cb 0.31 1.94 -0.00 0.00 -1.52 0.00 0.00 31.29 32.02 1u2j h VAL 512 CO -0.12 0.24 -0.09 -0.07 0.02 0.00 0.00 177.57 177.55 1u2j h LEU 513 N -0.38 0.00 -0.61 2.57 3.38 -0.84 -2.12 115.31 117.30 1u2j h LEU 513 Ca 0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.83 1u2j h LEU 513 Cb 0.39 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1u2j h LEU 513 CO 0.00 0.09 -0.69 -0.33 0.09 0.00 0.00 178.44 177.60 1u2j h GLU 514 N 0.00 0.00 0.05 1.13 5.08 -0.75 -0.81 114.58 119.28 1u2j h GLU 514 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1u2j h GLU 514 Cb 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1u2j h GLU 514 CO 0.01 0.69 -0.03 -0.22 -1.00 0.00 0.00 179.01 178.47 1u2j h LYS 515 N 0.00 -0.07 -0.99 2.33 3.11 -1.05 -2.12 116.57 117.78 1u2j h LYS 515 Ca -0.01 0.00 0.18 0.00 -2.81 0.00 0.00 60.65 58.02 1u2j h LYS 515 Cb 1.23 0.02 -0.10 0.00 -1.00 0.00 0.00 32.23 32.38 1u2j h LYS 515 CO 0.09 0.44 0.61 0.82 -2.81 0.00 0.00 179.45 178.60 1u2j h ILE 516 N -0.62 0.73 0.01 2.00 2.04 -1.39 0.25 117.51 120.53 1u2j h ILE 516 Ca -0.01 -0.25 -0.19 0.00 1.00 0.00 0.00 64.86 65.41 1u2j h ILE 516 Cb 0.54 -0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.53 1u2j h ILE 516 CO 0.01 0.14 -0.87 0.06 0.00 0.00 0.00 178.15 177.48 1u2j h GLN 517 N 0.74 0.14 -0.24 2.37 -0.00 -1.05 -1.65 115.11 115.42 1u2j h GLN 517 Ca 0.55 -0.15 -0.16 0.00 -0.00 0.00 0.00 58.65 58.88 1u2j h GLN 517 Cb 0.89 0.05 0.00 0.00 -0.00 0.00 0.00 27.48 28.42 1u2j h GLN 517 CO -0.33 0.92 -0.49 -0.22 -0.00 0.00 0.00 178.83 178.71 1u2j h LYS 518 N 0.07 0.75 0.00 0.06 3.64 -0.98 -2.05 116.57 118.06 1u2j h LYS 518 Ca -0.04 -0.49 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 1u2j h LYS 518 Cb 1.51 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.39 1u2j h LYS 518 CO 0.13 1.11 0.00 0.39 -2.27 0.00 0.00 179.45 178.81 1u2j n GLU 519 N -4.12 0.36 -0.07 1.90 1.02 0.83 -3.51 120.64 117.05 1u2j n GLU 519 Ca -0.05 0.02 -0.10 0.00 -0.02 0.00 0.00 57.16 57.01 1u2j n GLU 519 Cb 0.59 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.44 1u2j n GLU 519 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1u2j n SER 520 N -1.30 2.78 -2.77 1.62 2.88 -0.63 -4.98 113.62 111.22 1u2j n SER 520 Ca 0.13 -0.07 -0.12 0.00 -1.33 0.00 0.00 58.87 57.48 1u2j n SER 520 Cb 0.23 -0.24 -0.02 0.00 -0.75 0.00 0.00 64.21 63.43 1u2j n SER 520 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1u2j n GLY 521 N 2.77 -0.38 0.00 0.46 0.00 -0.77 -4.76 105.19 102.51 1u2j n GLY 521 Ca -0.26 0.02 0.07 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.50 1.83 -3.76 1.61 4.76 -1.26 -5.04 118.16 113.79 1u2j n LYS 522 Ca 0.03 -0.04 -0.11 0.00 -2.87 0.00 0.00 58.31 55.32 1u2j n LYS 522 Cb 0.39 -1.21 -0.07 0.00 -1.84 0.00 0.00 35.03 32.30 1u2j n LYS 522 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1u2j s ALA 523 N -2.51 -0.64 0.73 7.82 0.00 -1.26 -3.11 121.76 122.79 1u2j s ALA 523 Ca 0.02 -0.06 -0.14 0.00 0.00 0.00 0.00 51.96 51.78 1u2j s ALA 523 Cb 0.10 0.35 0.04 0.00 0.00 0.00 0.00 23.12 23.61 1u2j s ALA 523 CO 0.58 -0.43 1.16 -1.54 0.00 0.00 0.00 175.76 175.53 1u2j s SER 524 N -2.15 4.34 0.14 0.00 1.04 -1.26 -4.88 113.70 110.93 1u2j s SER 524 Ca -0.04 2.20 -0.22 0.00 0.48 0.00 0.00 55.95 58.37 1u2j s SER 524 Cb -0.00 -2.57 -0.01 0.00 0.10 0.00 0.00 66.02 63.54 1u2j s SER 524 CO -0.04 -2.16 1.65 0.25 0.98 0.00 0.00 173.24 173.92 1u2j h LEU 525 N -0.43 -0.57 -0.74 2.42 5.85 -1.91 -1.82 115.31 118.10 1u2j h LEU 525 Ca -0.47 0.10 0.14 0.00 0.84 0.00 0.00 57.88 58.49 1u2j h LEU 525 Cb 1.27 0.27 -0.14 0.00 0.37 0.00 0.00 40.66 42.44 1u2j h LEU 525 CO 0.50 -0.23 -0.27 0.00 -0.34 0.00 0.00 178.44 178.10 1u2j h ALA 526 N 0.82 0.26 -0.86 1.25 0.00 -1.86 0.11 119.26 118.98 1u2j h ALA 526 Ca 0.11 0.25 -0.03 0.00 0.00 0.00 0.00 54.91 55.24 1u2j h ALA 526 Cb 0.38 0.72 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 1u2j h ALA 526 CO -0.28 -0.54 0.43 -0.44 0.00 0.00 0.00 179.25 178.43 1u2j h ASP 527 N -0.06 1.10 0.62 0.00 3.32 -1.69 -2.83 116.42 116.88 1u2j h ASP 527 Ca 0.32 -0.12 -0.12 0.00 0.02 0.00 0.00 57.03 57.13 1u2j h ASP 527 Cb 0.57 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 1u2j h ASP 527 CO -0.78 0.91 -0.55 0.40 -1.72 0.00 0.00 179.24 177.50 1u2j h ILE 528 N 1.22 1.34 -0.25 0.35 2.04 -0.17 0.59 117.51 122.61 1u2j h ILE 528 Ca 0.30 -1.93 -0.02 0.00 1.00 0.00 0.00 64.86 64.21 1u2j h ILE 528 Cb 0.08 2.06 -0.01 0.00 -0.74 0.00 0.00 36.82 38.21 1u2j h ILE 528 CO -0.04 0.54 0.07 0.40 0.00 0.00 0.00 178.15 179.12 1u2j h ILE 529 N 0.00 1.21 -0.21 -0.67 2.04 -0.74 0.32 117.51 119.45 1u2j h ILE 529 Ca -0.01 -0.67 -0.17 0.00 1.00 0.00 0.00 64.86 65.01 1u2j h ILE 529 Cb 1.01 1.17 0.00 0.00 -0.74 0.00 0.00 36.82 38.27 1u2j h ILE 529 CO 0.07 0.22 -0.52 0.58 0.00 0.00 0.00 178.15 178.50 1u2j h VAL 530 N 0.23 1.30 -0.91 1.67 2.07 -1.25 -2.28 116.25 117.10 1u2j h VAL 530 Ca 0.08 -1.73 0.17 0.00 0.82 0.00 0.00 66.70 66.03 1u2j h VAL 530 Cb 0.27 1.84 -0.07 0.00 -1.52 0.00 0.00 31.29 31.80 1u2j h VAL 530 CO -0.00 0.55 0.59 0.25 0.02 0.00 0.00 177.57 178.97 1u2j h LEU 531 N 0.44 0.60 -1.07 2.57 5.85 0.31 0.20 115.31 124.22 1u2j h LEU 531 Ca -0.00 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.80 1u2j h LEU 531 Cb 1.13 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 42.04 1u2j h LEU 531 CO 0.11 0.28 0.63 0.00 -0.34 0.00 0.00 178.44 179.12 1u2j h ALA 532 N 1.61 1.39 0.00 1.25 0.00 0.22 -0.86 119.26 122.87 1u2j h ALA 532 Ca 0.47 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 55.20 1u2j h ALA 532 Cb 0.87 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1u2j h ALA 532 CO -0.22 0.51 -0.68 0.78 0.00 0.00 0.00 179.25 179.64 1u2j h GLY 533 N 1.19 0.00 1.47 0.00 0.00 -0.39 -1.61 103.07 103.74 1u2j h GLY 533 Ca 0.39 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.57 1u2j h GLY 533 CO -0.12 0.00 -0.45 -2.08 0.00 0.00 0.00 176.54 173.89 1u2j h VAL 534 N 0.00 1.31 0.07 4.60 2.07 -0.17 -1.92 116.25 122.20 1u2j h VAL 534 Ca -0.01 -1.64 -0.00 0.00 0.82 0.00 0.00 66.70 65.87 1u2j h VAL 534 Cb 1.24 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 32.62 1u2j h VAL 534 CO 0.09 0.52 -0.03 0.58 0.02 0.00 0.00 177.57 178.74 1u2j h VAL 535 N 0.46 1.12 -0.79 2.57 2.07 -0.96 -0.95 116.25 119.77 1u2j h VAL 535 Ca 0.03 -0.66 0.15 0.00 0.82 0.00 0.00 66.70 67.04 1u2j h VAL 535 Cb 0.96 1.54 -0.10 0.00 -1.52 0.00 0.00 31.29 32.18 1u2j h VAL 535 CO 0.09 0.16 0.34 1.23 0.02 0.00 0.00 177.57 179.41 1u2j h GLY 536 N -0.39 1.23 1.38 2.17 0.00 -1.19 -0.99 103.07 105.29 1u2j h GLY 536 Ca -0.01 -0.17 -0.30 0.00 0.00 0.00 0.00 47.33 46.85 1u2j h GLY 536 CO 0.02 -0.10 -1.42 -2.08 0.00 0.00 0.00 176.54 172.95 1u2j h VAL 537 N 0.47 1.29 -0.90 4.60 2.07 -1.29 -1.81 116.25 120.68 1u2j h VAL 537 Ca 0.44 -2.88 -0.02 0.00 0.82 0.00 0.00 66.70 65.06 1u2j h VAL 537 Cb 0.68 2.86 -0.04 0.00 -1.52 0.00 0.00 31.29 33.26 1u2j h VAL 537 CO -0.41 0.85 0.49 -0.33 0.02 0.00 0.00 177.57 178.19 1u2j h GLU 538 N 0.08 1.26 0.00 1.57 5.08 -0.74 0.67 114.58 122.50 1u2j h GLU 538 Ca -0.20 -0.15 -0.06 0.00 -1.00 0.00 0.00 59.36 57.95 1u2j h GLU 538 Cb 2.02 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 31.01 1u2j h GLU 538 CO 0.19 0.92 -0.46 1.57 -1.00 0.00 0.00 179.01 180.23 1u2j h LYS 539 N 1.26 0.00 -0.14 2.33 2.10 -1.12 -2.25 116.57 118.74 1u2j h LYS 539 Ca 0.32 0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 58.79 1u2j h LYS 539 Cb 0.03 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.36 1u2j h LYS 539 CO -0.05 0.24 -0.65 0.00 -2.00 0.00 0.00 179.45 176.99 1u2j h ALA 540 N 1.73 0.60 0.13 0.07 0.00 -1.08 -0.58 119.26 120.13 1u2j h ALA 540 Ca -0.02 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 1u2j h ALA 540 Cb 1.22 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1u2j h ALA 540 CO 0.03 0.71 -0.06 0.00 0.00 0.00 0.00 179.25 179.93 1u2j h ALA 541 N 0.89 -0.18 0.01 0.00 0.00 -0.63 -0.92 119.26 118.42 1u2j h ALA 541 Ca -0.01 -0.09 -0.25 0.00 0.00 0.00 0.00 54.91 54.55 1u2j h ALA 541 Cb 1.22 0.07 0.01 0.00 0.00 0.00 0.00 17.79 19.09 1u2j h ALA 541 CO 0.12 -0.54 -1.01 0.66 0.00 0.00 0.00 179.25 178.48 1u2j h SER 542 N -0.30 0.74 -0.14 0.00 4.64 -1.25 -0.58 113.55 116.66 1u2j h SER 542 Ca -0.02 -0.60 0.04 0.00 -0.47 0.00 0.00 61.79 60.75 1u2j h SER 542 Cb 0.24 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 1u2j h SER 542 CO 0.03 1.40 0.71 0.00 -0.87 0.00 0.00 176.83 178.10 1u2j h ALA 543 N 0.55 1.85 -0.44 5.18 0.00 -1.10 3.81 119.26 129.11 1u2j h ALA 543 Ca -0.11 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1u2j h ALA 543 Cb 1.66 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.46 1u2j h ALA 543 CO 0.19 -0.79 0.00 0.00 0.00 0.00 0.00 179.25 178.65 1u2j n ALA 544 N -1.80 2.43 -0.33 0.00 0.00 -0.66 -4.91 120.51 115.24 1u2j n ALA 544 Ca 0.02 -1.39 0.00 0.00 0.00 0.00 0.00 53.44 52.08 1u2j n ALA 544 Cb 0.78 -0.63 0.00 0.00 0.00 0.00 0.00 19.45 19.60 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 0.64 1.26 3.06 0.00 0.00 1.26 -4.96 105.19 106.46 1u2j n GLY 545 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 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 5.10 0.09 0.99 1.43 -0.32 -4.94 118.68 121.04 1u2j s LEU 546 Ca 0.00 -3.01 -0.31 0.00 -1.03 0.00 0.00 54.13 49.78 1u2j s LEU 546 Cb 0.00 -1.82 -0.09 0.00 0.03 0.00 0.00 46.19 44.31 1u2j s LEU 546 CO 0.00 -0.32 1.74 -0.94 0.23 0.00 0.00 176.35 177.07 1u2j s SER 547 N 0.35 6.51 0.13 2.29 1.04 -1.26 -2.84 113.70 119.92 1u2j s SER 547 Ca 0.18 2.62 0.04 0.00 0.48 0.00 0.00 55.95 59.28 1u2j s SER 547 Cb -0.20 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 63.32 1u2j s SER 547 CO -0.04 -0.95 -0.11 0.27 0.98 0.00 0.00 173.24 173.40 1u2j s ILE 548 N 2.73 1.11 0.02 -1.02 -5.25 -1.26 -4.95 121.20 112.57 1u2j s ILE 548 Ca 0.78 -1.87 -0.30 0.00 -0.99 0.00 0.00 60.65 58.27 1u2j s ILE 548 Cb -0.43 -1.63 -0.05 0.00 2.95 0.00 0.00 42.46 43.30 1u2j s ILE 548 CO 0.34 -0.64 1.17 -2.28 -1.79 0.00 0.00 174.94 171.74 1u2j s HIS 549 N -2.86 3.40 -0.40 1.37 5.65 -1.26 -4.87 115.29 116.32 1u2j s HIS 549 Ca 0.12 1.34 -0.11 0.00 0.25 0.00 0.00 55.06 56.66 1u2j s HIS 549 Cb -0.00 -3.38 0.05 0.00 -1.18 0.00 0.00 32.58 28.07 1u2j s HIS 549 CO 0.01 -1.10 0.25 0.08 -0.65 0.00 0.00 174.74 173.33 1u2j s VAL 550 N 1.38 4.51 0.02 0.89 1.01 -1.26 -5.06 120.40 121.89 1u2j s VAL 550 Ca 0.57 -1.09 -0.36 0.00 0.00 0.00 0.00 61.98 61.10 1u2j s VAL 550 Cb -0.27 -3.63 -0.15 0.00 0.00 0.00 0.00 36.38 32.33 1u2j s VAL 550 CO 0.27 -0.37 1.54 -2.65 0.00 0.00 0.00 175.10 173.88 1u2j n PRO 551 N 4.99 1.55 -4.71 2.72 -0.02 -1.26 -4.99 135.00 133.29 1u2j n PRO 551 Ca -0.11 0.56 -0.33 0.00 -2.02 0.00 0.00 63.50 61.60 1u2j n PRO 551 Cb 0.45 -2.27 -0.13 0.00 -0.02 0.00 0.00 33.50 31.52 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 1.55 2.85 -0.33 6.00 5.36 -1.26 -4.94 117.98 127.21 1u2j s PHE 552 Ca 0.86 -0.34 -0.03 0.00 -0.96 0.00 0.00 56.93 56.47 1u2j s PHE 552 Cb -0.87 -1.79 0.06 0.00 -0.34 0.00 0.00 43.02 40.09 1u2j s PHE 552 CO 0.48 0.02 0.07 0.00 -1.46 0.00 0.00 175.22 174.33 1u2j s ALA 553 N -0.13 2.94 0.69 11.12 0.00 -1.26 -5.13 121.76 129.99 1u2j s ALA 553 Ca -0.00 -1.97 -0.13 0.00 0.00 0.00 0.00 51.96 49.87 1u2j s ALA 553 Cb -0.13 -2.11 0.01 0.00 0.00 0.00 0.00 23.12 20.89 1u2j s ALA 553 CO 0.03 -1.42 1.08 -1.25 0.00 0.00 0.00 175.76 174.20 1u2j s PRO 554 N 1.24 2.78 0.00 0.00 0.04 -1.26 -4.72 135.00 133.09 1u2j s PRO 554 Ca -0.01 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.20 1u2j s PRO 554 Cb -0.20 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.37 1u2j s PRO 554 CO -0.01 -1.23 0.00 0.41 0.04 0.00 0.00 177.00 176.20 1u2j n GLY 555 N -1.21 0.46 3.77 0.56 0.00 -1.26 -4.99 105.19 102.52 1u2j n GLY 555 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 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 3.63 0.37 1.61 0.52 -1.26 -4.93 118.95 118.89 1u2j s ARG 556 Ca 0.00 1.81 0.08 0.00 -0.52 0.00 0.00 55.73 57.11 1u2j s ARG 556 Cb 0.00 -2.34 -0.06 0.00 0.52 0.00 0.00 34.95 33.06 1u2j s ARG 556 CO 0.00 -0.67 0.01 0.14 0.02 0.00 0.00 175.30 174.81 1u2j s VAL 557 N -1.54 2.37 -0.35 3.52 -7.23 -1.26 -4.39 120.40 111.52 1u2j s VAL 557 Ca 0.66 -1.99 -0.13 0.00 -1.81 0.00 0.00 61.98 58.71 1u2j s VAL 557 Cb -0.30 -2.84 -0.01 0.00 0.56 0.00 0.00 36.38 33.80 1u2j s VAL 557 CO 0.35 -0.13 0.25 -1.81 -0.31 0.00 0.00 175.10 173.45 1u2j s ASP 558 N -3.72 6.04 0.66 4.85 1.01 -1.26 -0.64 116.67 123.60 1u2j s ASP 558 Ca 0.35 -0.54 -0.15 0.00 0.71 0.00 0.00 52.55 52.92 1u2j s ASP 558 Cb 0.03 -2.13 0.00 0.00 1.01 0.00 0.00 42.92 41.83 1u2j s ASP 558 CO 0.19 -0.28 1.13 0.00 0.21 0.00 0.00 175.17 176.42 1u2j s ALA 559 N 1.70 2.43 0.35 5.23 0.00 0.73 -4.72 121.76 127.47 1u2j s ALA 559 Ca 0.06 0.64 -0.02 0.00 0.00 0.00 0.00 51.96 52.64 1u2j s ALA 559 Cb -0.18 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.55 1u2j s ALA 559 CO 0.10 -1.33 0.58 1.03 0.00 0.00 0.00 175.76 176.13 1u2j s ARG 560 N -3.96 3.53 0.28 0.00 0.52 -1.26 -4.93 118.95 113.12 1u2j s ARG 560 Ca 0.69 -0.18 0.01 0.00 -0.52 0.00 0.00 55.73 55.73 1u2j s ARG 560 Cb -0.23 -2.63 0.53 0.00 0.52 0.00 0.00 34.95 33.15 1u2j s ARG 560 CO 0.40 0.13 1.84 0.37 0.02 0.00 0.00 175.30 178.06 1u2j h GLN 561 N 0.96 1.00 -0.68 3.54 5.75 -1.96 -1.12 115.11 122.60 1u2j h GLN 561 Ca -0.49 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 57.95 1u2j h GLN 561 Cb 1.21 -0.23 0.00 0.00 1.07 0.00 0.00 27.48 29.53 1u2j h GLN 561 CO 0.63 0.66 0.00 -0.40 -2.65 0.00 0.00 178.83 177.07 1u2j n ASP 562 N -4.60 1.63 -0.05 -0.69 3.85 -1.26 -0.76 116.55 114.67 1u2j n ASP 562 Ca 0.18 -2.13 0.01 0.00 -0.71 0.00 0.00 54.79 52.14 1u2j n ASP 562 Cb 0.32 -0.41 0.00 0.00 -1.35 0.00 0.00 41.12 39.69 1u2j n ASP 562 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1u2j n GLN 563 N 0.07 -0.32 -3.33 0.11 6.02 -0.46 -4.85 117.38 114.62 1u2j n GLN 563 Ca 0.06 -0.54 -0.45 0.00 -0.01 0.00 0.00 57.00 56.05 1u2j n GLN 563 Cb 0.35 -1.00 -0.01 0.00 1.02 0.00 0.00 30.24 30.61 1u2j n GLN 563 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1u2j s THR 564 N -0.18 5.91 0.17 5.09 2.01 0.06 -4.13 115.64 124.57 1u2j s THR 564 Ca 0.02 -3.20 -0.32 0.00 0.31 0.00 0.00 61.69 58.50 1u2j s THR 564 Cb 0.01 -4.58 -0.11 0.00 0.01 0.00 0.00 72.50 67.84 1u2j s THR 564 CO 0.02 -1.15 1.66 -0.62 -0.69 0.00 0.00 174.62 173.84 1u2j s ASP 565 N 1.53 6.48 0.08 3.53 -1.08 -1.26 -4.84 116.67 121.11 1u2j s ASP 565 Ca 0.28 2.73 -0.15 0.00 -0.52 0.00 0.00 52.55 54.89 1u2j s ASP 565 Cb -0.10 -2.59 -0.14 0.00 -1.46 0.00 0.00 42.92 38.63 1u2j s ASP 565 CO -0.08 -0.91 1.31 0.40 0.52 0.00 0.00 175.17 176.41 1u2j h ILE 566 N 4.04 1.31 0.00 4.11 5.03 -1.90 -2.60 117.51 127.51 1u2j h ILE 566 Ca -0.43 -1.79 -0.23 0.00 -0.12 0.00 0.00 64.86 62.29 1u2j h ILE 566 Cb 1.20 1.94 -0.03 0.00 -3.03 0.00 0.00 36.82 36.90 1u2j h ILE 566 CO 0.94 0.56 -1.15 1.05 -0.68 0.00 0.00 178.15 178.87 1u2j h GLU 567 N 0.39 0.00 0.00 2.37 4.11 -1.96 -1.57 114.58 117.93 1u2j h GLU 567 Ca -0.02 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.36 1u2j h GLU 567 Cb 1.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 1u2j h GLU 567 CO 0.12 0.89 -0.24 0.52 0.07 0.00 0.00 179.01 180.37 1u2j h MET 568 N 0.00 0.00 0.00 1.06 2.86 -1.97 -2.79 114.93 114.09 1u2j h MET 568 Ca -0.07 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.53 1u2j h MET 568 Cb 1.82 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.47 1u2j h MET 568 CO 0.12 0.24 -0.66 0.74 1.06 0.00 0.00 176.91 178.41 1u2j h PHE 569 N 0.00 0.00 0.00 -0.22 0.04 -1.26 -3.28 116.94 112.22 1u2j h PHE 569 Ca -0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 1u2j h PHE 569 Cb 0.58 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.73 1u2j h PHE 569 CO 0.00 0.19 -0.04 1.49 -0.60 0.00 0.00 178.31 179.35 1u2j h GLU 570 N 0.00 0.00 -0.80 1.51 4.57 -1.00 -1.42 114.58 117.43 1u2j h GLU 570 Ca -0.03 0.00 0.12 0.00 -1.18 0.00 0.00 59.36 58.27 1u2j h GLU 570 Cb 1.17 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.70 1u2j h GLU 570 CO 0.02 0.04 0.53 -0.07 -1.18 0.00 0.00 179.01 178.34 1u2j h LEU 571 N 0.00 0.59 -0.00 1.64 3.38 -1.63 -0.51 115.31 118.78 1u2j h LEU 571 Ca -0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1u2j h LEU 571 Cb 0.08 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1u2j h LEU 571 CO 0.01 0.33 -0.03 0.18 0.09 0.00 0.00 178.44 179.01 1u2j n LEU 572 N -4.51 0.03 -4.67 1.67 4.77 -0.54 -4.76 117.00 108.99 1u2j n LEU 572 Ca 0.14 0.45 -0.46 0.00 -0.03 0.00 0.00 56.01 56.12 1u2j n LEU 572 Cb 0.41 -0.47 -0.04 0.00 -2.33 0.00 0.00 43.42 40.99 1u2j n LEU 572 CO 0.32 0.01 1.23 1.21 -1.33 0.00 0.00 177.39 178.82 1u2j n GLU 573 N -1.48 2.19 -3.31 3.23 2.13 -0.20 -4.88 120.64 118.33 1u2j n GLU 573 Ca 0.08 0.79 -0.38 0.00 0.66 0.00 0.00 57.16 58.30 1u2j n GLU 573 Cb 0.33 -2.57 -0.06 0.00 0.27 0.00 0.00 31.44 29.41 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 1.17 4.20 0.34 5.31 0.04 -1.26 -4.94 135.00 139.85 1u2j s PRO 574 Ca 0.80 0.62 0.13 0.00 0.04 0.00 0.00 61.00 62.59 1u2j s PRO 574 Cb -0.67 -3.30 1.00 0.00 0.04 0.00 0.00 34.50 31.58 1u2j s PRO 574 CO 0.38 0.50 1.71 0.82 0.04 0.00 0.00 177.00 180.46 1u2j h ILE 575 N 3.93 0.45 -2.46 0.56 1.08 -1.95 -3.45 117.51 115.67 1u2j h ILE 575 Ca -0.47 -0.16 0.08 0.00 -0.39 0.00 0.00 64.86 63.92 1u2j h ILE 575 Cb 1.21 -0.05 -0.14 0.00 -3.07 0.00 0.00 36.82 34.76 1u2j h ILE 575 CO 0.67 0.08 0.42 0.00 -0.69 0.00 0.00 178.15 178.64 1u2j s ALA 576 N -5.68 -1.77 -0.37 1.87 0.00 -1.26 -1.54 121.76 113.02 1u2j s ALA 576 Ca -0.10 0.88 0.04 0.00 0.00 0.00 0.00 51.96 52.78 1u2j s ALA 576 Cb 0.28 0.53 0.16 0.00 0.00 0.00 0.00 23.12 24.09 1u2j s ALA 576 CO 0.80 -0.71 0.44 0.34 0.00 0.00 0.00 175.76 176.62 1u2j s ASP 577 N -2.55 0.45 0.23 0.00 -1.08 -0.62 -4.96 116.67 108.15 1u2j s ASP 577 Ca 0.04 -1.27 0.20 0.00 -0.52 0.00 0.00 52.55 50.99 1u2j s ASP 577 Cb -0.01 0.95 0.93 0.00 -1.46 0.00 0.00 42.92 43.32 1u2j s ASP 577 CO -0.10 -0.25 1.60 0.61 0.52 0.00 0.00 175.17 177.55 1u2j n GLY 578 N 4.40 -1.01 0.20 2.66 0.00 -1.26 -0.28 105.19 109.89 1u2j n GLY 578 Ca 0.10 0.11 0.04 0.00 0.00 0.00 0.00 46.02 46.28 1u2j n GLY 578 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1u2j h PHE 579 N 0.00 0.00 -0.30 1.61 0.04 -1.94 -3.00 116.94 113.35 1u2j h PHE 579 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1u2j h PHE 579 Cb 0.18 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.33 1u2j h PHE 579 CO 0.00 0.32 0.00 0.54 -0.60 0.00 0.00 178.31 178.57 1u2j n ARG 580 N -4.00 2.47 -3.18 1.51 1.74 0.61 -4.76 116.66 111.05 1u2j n ARG 580 Ca -0.02 -1.92 -0.22 0.00 -0.77 0.00 0.00 57.85 54.92 1u2j n ARG 580 Cb 0.38 -1.27 0.01 0.00 -1.02 0.00 0.00 32.46 30.56 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 0.57 -4.58 -4.91 0.55 2.85 -0.45 -0.04 115.26 109.25 1u2j n ASN 581 Ca 0.11 -0.32 -0.29 0.00 -0.11 0.00 0.00 54.58 53.97 1u2j n ASN 581 Cb 0.41 -3.76 -0.04 0.00 1.24 0.00 0.00 39.78 37.63 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 -3.00 3.47 -0.30 1.20 5.04 -0.52 -4.82 117.35 118.43 1u2j s TYR 582 Ca 0.34 0.19 -0.05 0.00 -2.44 0.00 0.00 57.07 55.11 1u2j s TYR 582 Cb -0.17 -1.72 0.19 0.00 0.35 0.00 0.00 41.96 40.61 1u2j s TYR 582 CO 0.42 0.56 0.88 0.50 -1.34 0.00 0.00 175.55 176.57 1u2j s ARG 583 N -2.71 0.30 0.06 4.97 3.00 -1.26 -1.59 118.95 121.72 1u2j s ARG 583 Ca 0.34 0.33 -0.14 0.00 -1.00 0.00 0.00 55.73 55.26 1u2j s ARG 583 Cb -0.12 0.16 -0.27 0.00 0.00 0.00 0.00 34.95 34.72 1u2j s ARG 583 CO 0.28 -0.52 1.14 0.00 0.00 0.00 0.00 175.30 176.19 1u2j h ALA 584 N 7.61 0.05 -2.27 6.12 0.00 -1.59 -3.42 119.26 125.76 1u2j h ALA 584 Ca -0.08 -0.75 -0.57 0.00 0.00 0.00 0.00 54.91 53.51 1u2j h ALA 584 Cb 1.18 0.09 -0.37 0.00 0.00 0.00 0.00 17.79 18.69 1u2j h ALA 584 CO -0.00 0.69 -0.98 0.54 0.00 0.00 0.00 179.25 179.50 1u2j n ARG 585 N -3.81 0.25 -1.47 0.00 1.74 -1.26 -5.05 116.66 107.07 1u2j n ARG 585 Ca -0.13 -3.14 -0.12 0.00 -0.77 0.00 0.00 57.85 53.70 1u2j n ARG 585 Cb 0.95 -1.61 -0.10 0.00 -1.02 0.00 0.00 32.46 30.68 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 2.67 0.64 0.00 0.55 4.77 -1.26 -4.83 117.00 119.54 1u2j n LEU 586 Ca 0.29 -1.84 0.00 0.00 -0.03 0.00 0.00 56.01 54.42 1u2j n LEU 586 Cb 0.49 -1.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.16 1u2j n LEU 586 CO 0.09 -2.84 0.00 -0.90 -1.33 0.00 0.00 177.39 172.41 1u2j n ASP 587 N 15.77 0.68 -0.16 -1.43 3.85 -1.26 -4.93 116.55 129.06 1u2j n ASP 587 Ca 0.39 -0.08 0.00 0.00 -0.71 0.00 0.00 54.79 54.38 1u2j n ASP 587 Cb 0.43 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.20 1u2j n ASP 587 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.20 176.71 1u2j n VAL 588 N -0.05 0.00 -3.74 2.12 0.31 -1.26 -4.69 118.33 111.02 1u2j n VAL 588 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.02 1u2j n VAL 588 Cb 0.00 -0.34 -0.04 0.00 -0.91 0.00 0.00 33.84 32.55 1u2j n VAL 588 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1u2j s SER 589 N -1.67 6.45 -0.00 4.52 0.01 -1.26 -5.10 113.70 116.65 1u2j s SER 589 Ca 0.00 0.48 -0.06 0.00 1.31 0.00 0.00 55.95 57.68 1u2j s SER 589 Cb 0.00 -2.05 -0.05 0.00 0.21 0.00 0.00 66.02 64.14 1u2j s SER 589 CO 0.00 0.08 0.25 0.42 0.41 0.00 0.00 173.24 174.40 1u2j s THR 590 N -1.64 5.33 0.18 1.44 -4.23 -1.26 -5.00 115.64 110.46 1u2j s THR 590 Ca 0.39 0.14 -0.07 0.00 -1.18 0.00 0.00 61.69 60.98 1u2j s THR 590 Cb -0.12 -3.55 -0.02 0.00 1.34 0.00 0.00 72.50 70.14 1u2j s THR 590 CO 0.26 0.38 1.54 0.71 -0.54 0.00 0.00 174.62 176.97 1u2j h THR 591 N 3.08 1.28 -0.75 3.99 1.35 -1.97 -0.36 112.91 119.54 1u2j h THR 591 Ca -0.50 -1.54 -0.03 0.00 -0.55 0.00 0.00 66.41 63.79 1u2j h THR 591 Cb 1.20 1.42 -0.04 0.00 -1.73 0.00 0.00 68.15 69.01 1u2j h THR 591 CO 0.66 0.50 0.37 1.05 -0.25 0.00 0.00 175.52 177.85 1u2j h GLU 592 N 0.65 1.07 -0.09 4.72 9.09 -1.95 0.41 114.58 128.48 1u2j h GLU 592 Ca 0.06 -0.15 -0.12 0.00 0.05 0.00 0.00 59.36 59.20 1u2j h GLU 592 Cb 0.92 -0.20 -0.01 0.00 -1.65 0.00 0.00 28.75 27.81 1u2j h GLU 592 CO 0.08 0.82 -0.49 0.66 0.05 0.00 0.00 179.01 180.14 1u2j h SER 593 N 1.07 0.26 1.29 3.06 4.64 -1.89 -1.26 113.55 120.72 1u2j h SER 593 Ca 0.26 -0.12 -0.04 0.00 -0.47 0.00 0.00 61.79 61.42 1u2j h SER 593 Cb 0.10 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.11 1u2j h SER 593 CO -0.03 0.71 -0.19 -0.07 -0.87 0.00 0.00 176.83 176.37 1u2j h LEU 594 N 0.19 0.00 -0.08 5.97 3.38 0.30 -1.56 115.31 123.51 1u2j h LEU 594 Ca 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1u2j h LEU 594 Cb 0.94 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.68 1u2j h LEU 594 CO 0.08 0.19 -0.03 0.25 0.09 0.00 0.00 178.44 179.02 1u2j h LEU 595 N 0.00 0.16 -0.80 1.67 5.85 0.75 -0.64 115.31 122.30 1u2j h LEU 595 Ca -0.00 -0.40 -0.02 0.00 0.84 0.00 0.00 57.88 58.30 1u2j h LEU 595 Cb 0.89 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.84 1u2j h LEU 595 CO 0.03 0.52 0.42 0.40 -0.34 0.00 0.00 178.44 179.46 1u2j h ILE 596 N -0.20 1.24 -0.91 4.05 5.03 -1.25 -1.53 117.51 123.95 1u2j h ILE 596 Ca 0.02 -0.64 -0.00 0.00 -0.12 0.00 0.00 64.86 64.11 1u2j h ILE 596 Cb 0.46 0.20 -0.04 0.00 -3.03 0.00 0.00 36.82 34.40 1u2j h ILE 596 CO 0.01 0.28 0.55 -0.78 -0.68 0.00 0.00 178.15 177.54 1u2j h ASP 597 N 1.12 1.09 -0.58 1.72 1.82 -1.25 -0.47 116.42 119.87 1u2j h ASP 597 Ca 0.28 -0.06 -0.11 0.00 -0.39 0.00 0.00 57.03 56.75 1u2j h ASP 597 Cb 0.07 -0.27 -0.02 0.00 0.68 0.00 0.00 39.33 39.78 1u2j h ASP 597 CO -0.04 0.83 -0.06 0.50 -1.61 0.00 0.00 179.24 178.86 1u2j h LYS 598 N 1.25 1.05 -0.52 0.28 1.63 -0.77 -1.68 116.57 117.82 1u2j h LYS 598 Ca 0.33 -0.37 -0.04 0.00 -0.85 0.00 0.00 60.65 59.72 1u2j h LYS 598 Cb -0.06 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.46 1u2j h LYS 598 CO -0.06 1.06 0.16 0.00 -3.45 0.00 0.00 179.45 177.16 1u2j h ALA 599 N 0.96 1.30 -0.31 5.00 0.00 -0.82 -2.21 119.26 123.17 1u2j h ALA 599 Ca 0.16 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 1u2j h ALA 599 Cb 0.62 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1u2j h ALA 599 CO 0.04 0.50 -0.37 0.37 0.00 0.00 0.00 179.25 179.80 1u2j h GLN 600 N 0.76 0.71 -0.93 0.00 4.15 -0.97 0.51 115.11 119.34 1u2j h GLN 600 Ca 0.18 -0.35 0.12 0.00 0.77 0.00 0.00 58.65 59.37 1u2j h GLN 600 Cb 0.22 0.00 -0.08 0.00 0.21 0.00 0.00 27.48 27.83 1u2j h GLN 600 CO -0.01 0.96 0.56 1.96 -1.93 0.00 0.00 178.83 180.37 1u2j h GLN 601 N 0.59 0.85 -0.72 1.69 4.20 -0.79 -1.11 115.11 119.82 1u2j h GLN 601 Ca 0.06 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1u2j h GLN 601 Cb 0.90 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.48 1u2j h GLN 601 CO 0.08 0.57 0.00 1.28 -0.67 0.00 0.00 178.83 180.08 1u2j n LEU 602 N -4.69 3.77 -2.05 1.46 4.77 -0.88 -0.95 117.00 118.43 1u2j n LEU 602 Ca 0.17 -1.91 -0.08 0.00 -0.03 0.00 0.00 56.01 54.16 1u2j n LEU 602 Cb 0.35 -0.59 -0.01 0.00 -2.33 0.00 0.00 43.42 40.84 1u2j n LEU 602 CO 0.26 0.49 -0.10 0.35 -1.33 0.00 0.00 177.39 177.07 1u2j n THR 603 N 0.42 -0.26 -2.92 -5.08 -2.24 -0.42 -4.94 114.28 98.84 1u2j n THR 603 Ca 0.17 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.59 1u2j n THR 603 Cb 0.79 -1.06 -0.06 0.00 -2.10 0.00 0.00 70.33 67.90 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 -4.64 4.31 0.89 3.22 1.43 0.13 -5.00 118.68 119.02 1u2j s LEU 604 Ca 0.00 1.65 -0.12 0.00 -1.03 0.00 0.00 54.13 54.63 1u2j s LEU 604 Cb 0.00 -3.88 0.13 0.00 0.03 0.00 0.00 46.19 42.47 1u2j s LEU 604 CO 0.00 -0.05 1.13 0.42 0.23 0.00 0.00 176.35 178.08 1u2j s THR 605 N -1.62 2.17 0.15 5.49 -4.23 -1.26 -4.59 115.64 111.74 1u2j s THR 605 Ca 0.48 0.05 -0.13 0.00 -1.18 0.00 0.00 61.69 60.92 1u2j s THR 605 Cb -0.17 -2.80 0.03 0.00 1.34 0.00 0.00 72.50 70.90 1u2j s THR 605 CO 0.22 -0.07 1.66 0.00 -0.54 0.00 0.00 174.62 175.89 1u2j h ALA 606 N -1.44 0.67 -0.61 3.99 0.00 -1.98 0.28 119.26 120.16 1u2j h ALA 606 Ca -0.50 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.25 1u2j h ALA 606 Cb 1.32 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.87 1u2j h ALA 606 CO 0.61 0.35 0.34 -1.35 0.00 0.00 0.00 179.25 179.21 1u2j h PRO 607 N 0.70 0.63 -0.01 0.00 0.11 -1.98 0.66 132.00 132.12 1u2j h PRO 607 Ca 0.16 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1u2j h PRO 607 Cb 0.32 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.28 1u2j h PRO 607 CO -0.00 0.42 -0.01 0.93 -0.21 0.00 0.00 178.00 179.12 1u2j h GLU 608 N 0.65 -0.02 -0.97 1.05 5.08 -1.87 -0.36 114.58 118.14 1u2j h GLU 608 Ca 0.27 0.00 0.18 0.00 -1.00 0.00 0.00 59.36 58.80 1u2j h GLU 608 Cb 0.14 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.29 1u2j h GLU 608 CO -0.16 -0.01 0.58 1.98 -1.00 0.00 0.00 179.01 180.40 1u2j h MET 609 N -0.02 0.73 0.14 2.33 4.05 -0.02 -0.22 114.93 121.93 1u2j h MET 609 Ca 0.01 -0.04 -0.27 0.00 -0.28 0.00 0.00 59.70 59.12 1u2j h MET 609 Cb 0.03 -0.17 0.03 0.00 -0.80 0.00 0.00 31.60 30.70 1u2j h MET 609 CO -0.02 0.49 -1.12 1.15 0.23 0.00 0.00 176.91 177.63 1u2j h THR 610 N 0.76 1.35 -0.71 -0.77 2.02 -0.51 -1.01 112.91 114.04 1u2j h THR 610 Ca 0.55 -2.48 0.03 0.00 0.77 0.00 0.00 66.41 65.28 1u2j h THR 610 Cb 0.82 2.87 -0.04 0.00 -1.74 0.00 0.00 68.15 70.06 1u2j h THR 610 CO -0.37 0.74 0.45 0.00 0.37 0.00 0.00 175.52 176.70 1u2j h ALA 611 N 0.21 0.93 -0.48 6.16 0.00 -0.84 -2.09 119.26 123.14 1u2j h ALA 611 Ca -0.18 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.58 1u2j h ALA 611 Cb 1.84 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 19.38 1u2j h ALA 611 CO 0.21 0.24 -0.17 1.25 0.00 0.00 0.00 179.25 180.78 1u2j h LEU 612 N 0.88 0.97 -0.20 0.00 5.85 -0.83 -1.92 115.31 120.05 1u2j h LEU 612 Ca 0.28 -0.34 -0.22 0.00 0.84 0.00 0.00 57.88 58.44 1u2j h LEU 612 Cb 0.00 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.77 1u2j h LEU 612 CO -0.10 1.12 -0.91 0.58 -0.34 0.00 0.00 178.44 178.79 1u2j h VAL 613 N 0.83 1.39 0.00 1.05 2.07 -1.06 -0.29 116.25 120.24 1u2j h VAL 613 Ca 0.12 -2.37 0.00 0.00 0.82 0.00 0.00 66.70 65.26 1u2j h VAL 613 Cb 0.73 2.35 0.00 0.00 -1.52 0.00 0.00 31.29 32.86 1u2j h VAL 613 CO 0.06 0.71 0.00 1.23 0.02 0.00 0.00 177.57 179.59 1u2j h GLY 614 N 1.18 0.00 0.27 2.17 0.00 -1.10 -2.02 103.07 103.57 1u2j h GLY 614 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.90 1u2j h GLY 614 CO 0.16 0.00 -2.23 0.61 0.00 0.00 0.00 176.54 175.08 1u2j n GLY 615 N 0.21 -0.77 0.20 4.60 0.00 -0.75 -3.58 105.19 105.11 1u2j n GLY 615 Ca 0.02 -0.23 0.07 0.00 0.00 0.00 0.00 46.02 45.88 1u2j n GLY 615 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1u2j h MET 616 N 0.01 0.00 -0.03 1.61 2.86 -0.83 -3.02 114.93 115.52 1u2j h MET 616 Ca -0.49 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.04 1u2j h MET 616 Cb 2.08 0.00 0.01 0.00 0.06 0.00 0.00 31.60 33.75 1u2j h MET 616 CO 0.01 0.32 -0.41 0.00 1.06 0.00 0.00 176.91 177.89 1u2j h ARG 617 N 0.00 0.33 0.00 1.72 2.47 -1.51 -2.22 114.38 115.18 1u2j h ARG 617 Ca -0.00 -0.32 0.00 0.00 -1.26 0.00 0.00 59.98 58.40 1u2j h ARG 617 Cb 0.83 0.08 0.00 0.00 -1.65 0.00 0.00 29.97 29.23 1u2j h ARG 617 CO 0.04 0.99 0.00 1.33 0.56 0.00 0.00 179.97 182.89 1u2j n VAL 618 N -4.36 0.05 1.06 2.04 0.24 -1.21 -2.24 118.33 113.91 1u2j n VAL 618 Ca -0.09 0.01 0.12 0.00 -2.04 0.00 0.00 64.34 62.34 1u2j n VAL 618 Cb 0.57 -0.53 0.11 0.00 -1.47 0.00 0.00 33.84 32.52 1u2j n VAL 618 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1u2j n LEU 619 N -1.31 2.33 -2.14 1.34 4.77 -1.14 -1.32 117.00 119.53 1u2j n LEU 619 Ca 0.13 -0.80 -0.09 0.00 -0.03 0.00 0.00 56.01 55.21 1u2j n LEU 619 Cb 0.24 -0.01 0.04 0.00 -2.33 0.00 0.00 43.42 41.37 1u2j n LEU 619 CO 0.23 0.41 0.07 0.61 -1.33 0.00 0.00 177.39 177.38 1u2j n GLY 620 N 1.36 0.10 1.44 -0.72 0.00 -0.95 -3.53 105.19 102.90 1u2j n GLY 620 Ca 0.12 -0.20 -0.03 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.90 4.17 -1.77 4.61 0.00 -0.84 -4.77 120.51 119.02 1u2j n ALA 621 Ca -0.10 -2.66 -0.38 0.00 0.00 0.00 0.00 53.44 50.30 1u2j n ALA 621 Cb 0.57 -0.96 -0.01 0.00 0.00 0.00 0.00 19.45 19.05 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 -1.81 6.27 0.00 0.00 0.01 -1.26 -4.56 114.94 113.58 1u2j s ASN 622 Ca 0.48 2.47 0.00 0.00 -0.71 0.00 0.00 52.86 55.10 1u2j s ASN 622 Cb 0.41 -2.62 0.00 0.00 0.41 0.00 0.00 41.25 39.45 1u2j s ASN 622 CO 0.07 -0.86 0.47 2.22 -1.51 0.00 0.00 177.10 177.50 1u2j n PHE 623 N -0.13 0.00 -3.33 2.20 1.16 0.95 -4.37 117.46 113.95 1u2j n PHE 623 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.63 1u2j n PHE 623 Cb 0.46 -0.08 0.00 0.00 -1.61 0.00 0.00 39.48 38.24 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 -0.97 0.41 0.00 5.98 3.85 -1.26 -4.46 116.55 120.09 1u2j n ASP 624 Ca 0.00 -0.33 0.01 0.00 -0.71 0.00 0.00 54.79 53.77 1u2j n ASP 624 Cb 0.03 0.00 0.08 0.00 -1.35 0.00 0.00 41.12 39.88 1u2j n ASP 624 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1u2j n GLY 625 N 1.03 -0.60 3.72 6.12 0.00 -1.26 -4.83 105.19 109.37 1u2j n GLY 625 Ca 0.00 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 1u2j n GLY 625 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1u2j n SER 626 N -0.57 3.46 -1.11 1.61 2.88 -1.26 -4.86 113.62 113.76 1u2j n SER 626 Ca 0.02 1.15 0.11 0.00 -1.33 0.00 0.00 58.87 58.82 1u2j n SER 626 Cb 0.01 -1.54 0.22 0.00 -0.75 0.00 0.00 64.21 62.16 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 2.02 2.49 -1.68 -1.46 4.76 -1.26 -4.57 118.16 118.45 1u2j n LYS 627 Ca 0.09 -2.29 -0.42 0.00 -2.87 0.00 0.00 58.31 52.82 1u2j n LYS 627 Cb 0.35 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 32.02 1u2j n LYS 627 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1u2j s ASN 628 N -1.30 6.26 0.00 4.39 0.01 -1.26 -1.54 114.94 121.49 1u2j s ASN 628 Ca 0.38 2.48 0.00 0.00 -0.71 0.00 0.00 52.86 55.01 1u2j s ASN 628 Cb 0.22 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 39.35 1u2j s ASN 628 CO 0.30 -1.23 0.00 0.61 -1.51 0.00 0.00 177.10 175.26 1u2j n GLY 629 N 4.77 1.23 2.90 0.66 0.00 -0.67 -4.78 105.19 109.30 1u2j n GLY 629 Ca 0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 1u2j n GLY 629 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1u2j n VAL 630 N -2.00 4.12 -1.89 1.61 0.31 -0.59 -4.72 118.33 115.17 1u2j n VAL 630 Ca 0.00 -4.09 -0.42 0.00 -0.01 0.00 0.00 64.34 59.82 1u2j n VAL 630 Cb 0.00 -2.42 -0.00 0.00 -0.91 0.00 0.00 33.84 30.50 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 4.67 3.14 -3.63 3.52 3.72 -1.26 -4.79 117.46 122.83 1u2j n PHE 631 Ca 0.43 -2.92 -0.15 0.00 -0.05 0.00 0.00 57.45 54.76 1u2j n PHE 631 Cb 0.38 -2.31 -0.07 0.00 -0.94 0.00 0.00 39.48 36.54 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 1.87 0.00 -0.33 4.37 -1.32 -1.26 -3.85 115.64 115.13 1u2j s THR 632 Ca 0.48 -0.02 -0.01 0.00 -1.21 0.00 0.00 61.69 60.93 1u2j s THR 632 Cb 0.13 -0.92 0.24 0.00 -1.51 0.00 0.00 72.50 70.45 1u2j s THR 632 CO -0.06 -0.01 1.95 -0.90 -2.21 0.00 0.00 174.62 173.39 1u2j n ASP 633 N 2.30 6.16 -2.81 8.08 5.75 -1.26 -4.50 116.55 130.27 1u2j n ASP 633 Ca -0.15 -3.07 -0.05 0.00 -0.01 0.00 0.00 54.79 51.50 1u2j n ASP 633 Cb 0.56 -1.01 0.00 0.00 -1.03 0.00 0.00 41.12 39.65 1u2j n ASP 633 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1u2j s ARG 634 N -1.91 1.06 0.24 0.11 1.70 -1.26 -5.14 118.95 113.76 1u2j s ARG 634 Ca 0.32 -1.10 -0.31 0.00 -0.47 0.00 0.00 55.73 54.17 1u2j s ARG 634 Cb 0.26 -0.12 -0.12 0.00 -0.57 0.00 0.00 34.95 34.40 1u2j s ARG 634 CO 0.00 -1.33 1.67 0.28 -1.08 0.00 0.00 175.30 174.85 1u2j n VAL 635 N 2.98 0.44 0.00 4.99 0.31 -1.26 -3.65 118.33 122.14 1u2j n VAL 635 Ca 0.18 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 1u2j n VAL 635 Cb 0.56 -1.98 0.00 0.00 -0.91 0.00 0.00 33.84 31.51 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 3.19 1.24 3.00 2.92 0.00 -0.44 -4.99 105.19 110.12 1u2j n GLY 636 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.00 0.97 -1.39 1.61 0.11 -1.24 -4.22 120.40 114.25 1u2j s VAL 637 Ca 0.00 -0.40 -0.11 0.00 -2.93 0.00 0.00 61.98 58.54 1u2j s VAL 637 Cb 0.00 -0.90 0.09 0.00 -1.53 0.00 0.00 36.38 34.04 1u2j s VAL 637 CO 0.00 0.31 2.19 -0.11 -3.33 0.00 0.00 175.10 174.16 1u2j n LEU 638 N 3.73 7.14 0.00 2.54 7.94 -0.41 -4.70 117.00 133.24 1u2j n LEU 638 Ca -0.22 -4.46 -0.22 0.00 -1.11 0.00 0.00 56.01 50.00 1u2j n LEU 638 Cb 0.52 -1.54 0.12 0.00 0.53 0.00 0.00 43.42 43.05 1u2j n LEU 638 CO 0.25 1.44 0.54 -1.54 -1.11 0.00 0.00 177.39 176.97 1u2j n SER 639 N 4.40 1.17 -1.86 1.96 3.41 -1.26 -4.84 113.62 116.60 1u2j n SER 639 Ca 0.51 -2.02 -0.05 0.00 -0.26 0.00 0.00 58.87 57.06 1u2j n SER 639 Cb 0.34 -0.63 0.27 0.00 -0.26 0.00 0.00 64.21 63.94 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 -2.98 4.52 -0.23 4.04 6.94 -1.26 -4.67 115.26 121.62 1u2j n ASN 640 Ca 0.15 -3.06 0.04 0.00 -0.02 0.00 0.00 54.58 51.70 1u2j n ASN 640 Cb 0.55 -0.72 0.16 0.00 -2.36 0.00 0.00 39.78 37.41 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 2.40 -0.07 -0.86 0.53 5.19 -1.90 -0.92 116.42 120.79 1u2j h ASP 641 Ca 0.23 0.15 0.19 0.00 -0.62 0.00 0.00 57.03 56.98 1u2j h ASP 641 Cb 2.14 0.22 -0.11 0.00 0.18 0.00 0.00 39.33 41.76 1u2j h ASP 641 CO 0.65 -0.06 0.37 0.15 -3.12 0.00 0.00 179.24 177.23 1u2j h PHE 642 N 0.22 0.62 0.17 4.55 3.57 -1.79 -1.32 116.94 122.97 1u2j h PHE 642 Ca 0.39 0.04 -0.27 0.00 3.53 0.00 0.00 57.97 61.66 1u2j h PHE 642 Cb 0.65 -0.14 0.03 0.00 2.79 0.00 0.00 35.95 39.28 1u2j h PHE 642 CO -0.29 0.00 -1.16 0.74 -2.23 0.00 0.00 178.31 175.37 1u2j h PHE 643 N 0.43 0.83 -0.49 0.41 0.04 -1.50 -1.85 116.94 114.80 1u2j h PHE 643 Ca 0.51 -0.57 0.08 0.00 2.80 0.00 0.00 57.97 60.78 1u2j h PHE 643 Cb 0.90 -0.04 -0.06 0.00 2.20 0.00 0.00 35.95 38.95 1u2j h PHE 643 CO -0.15 1.44 0.13 0.28 -0.60 0.00 0.00 178.31 179.41 1u2j h VAL 644 N -0.02 0.77 -0.03 -0.55 2.07 -0.66 -1.79 116.25 116.05 1u2j h VAL 644 Ca -0.19 -0.10 -0.15 0.00 0.82 0.00 0.00 66.70 67.08 1u2j h VAL 644 Cb 1.89 0.47 0.01 0.00 -1.52 0.00 0.00 31.29 32.14 1u2j h VAL 644 CO 0.22 0.05 -0.56 0.78 0.02 0.00 0.00 177.57 178.08 1u2j h ASN 645 N 0.28 0.54 -0.75 0.57 2.35 -1.35 -2.80 115.58 114.42 1u2j h ASN 645 Ca 0.24 -0.72 0.17 0.00 -0.55 0.00 0.00 56.30 55.44 1u2j h ASN 645 Cb 0.29 -0.16 -0.13 0.00 0.05 0.00 0.00 38.32 38.37 1u2j h ASN 645 CO -0.28 1.19 -0.03 0.25 -1.65 0.00 0.00 177.43 176.91 1u2j h LEU 646 N -0.06 -0.41 -2.05 1.61 5.85 -1.22 0.37 115.31 119.40 1u2j h LEU 646 Ca -0.06 0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1u2j h LEU 646 Cb 1.25 0.37 0.00 0.00 0.37 0.00 0.00 40.66 42.65 1u2j h LEU 646 CO 0.11 -0.20 0.00 0.18 -0.34 0.00 0.00 178.44 178.20 1u2j n LEU 647 N -5.38 3.05 -4.60 2.25 4.77 -0.68 -4.91 117.00 111.50 1u2j n LEU 647 Ca 0.13 -1.54 -0.40 0.00 -0.03 0.00 0.00 56.01 54.17 1u2j n LEU 647 Cb 0.46 -0.48 -0.08 0.00 -2.33 0.00 0.00 43.42 40.99 1u2j n LEU 647 CO 0.04 0.48 0.24 -0.62 -1.33 0.00 0.00 177.39 176.20 1u2j s ASP 648 N -0.63 6.39 0.00 -1.43 -1.08 0.12 -4.88 116.67 115.17 1u2j s ASP 648 Ca 0.28 0.32 0.00 0.00 -0.52 0.00 0.00 52.55 52.64 1u2j s ASP 648 Cb 0.19 -2.28 0.00 0.00 -1.46 0.00 0.00 42.92 39.38 1u2j s ASP 648 CO 0.12 -0.36 0.60 0.23 0.52 0.00 0.00 175.17 176.28 1u2j n MET 649 N 5.63 0.00 0.00 4.34 2.81 -1.26 -2.34 117.12 126.30 1u2j n MET 649 Ca -0.04 0.18 0.15 0.00 -1.81 0.00 0.00 57.70 56.17 1u2j n MET 649 Cb 0.49 -1.62 0.71 0.00 -0.71 0.00 0.00 33.22 32.10 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 -1.10 0.41 -4.55 0.03 0.63 -1.26 -4.77 116.66 106.05 1u2j n ARG 650 Ca 0.00 -0.04 -0.25 0.00 -0.92 0.00 0.00 57.85 56.64 1u2j n ARG 650 Cb 0.12 -1.50 -0.17 0.00 0.45 0.00 0.00 32.46 31.36 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 -2.61 1.53 -0.14 -0.14 1.51 -0.99 -2.36 117.35 114.14 1u2j s TYR 651 Ca 0.27 -0.59 -0.16 0.00 -1.01 0.00 0.00 57.07 55.57 1u2j s TYR 651 Cb 0.20 -1.12 -0.04 0.00 -0.11 0.00 0.00 41.96 40.88 1u2j s TYR 651 CO 0.48 -0.31 0.39 -2.00 -1.11 0.00 0.00 175.55 172.99 1u2j s GLU 652 N 0.75 4.30 -0.04 -0.62 2.12 0.58 -4.86 118.70 120.93 1u2j s GLU 652 Ca -0.13 0.27 -0.01 0.00 0.36 0.00 0.00 54.97 55.47 1u2j s GLU 652 Cb -0.16 -3.43 -0.04 0.00 0.26 0.00 0.00 34.13 30.77 1u2j s GLU 652 CO 0.03 0.19 0.04 -1.58 -0.54 0.00 0.00 175.26 173.40 1u2j s TRP 653 N 0.56 3.22 0.03 5.30 0.52 -1.26 -0.75 118.94 126.55 1u2j s TRP 653 Ca 0.21 0.19 -0.21 0.00 0.02 0.00 0.00 56.10 56.31 1u2j s TRP 653 Cb -0.14 -1.75 0.05 0.00 -1.15 0.00 0.00 33.47 30.48 1u2j s TRP 653 CO 0.07 0.52 0.49 0.15 0.02 0.00 0.00 176.95 178.20 1u2j s LYS 654 N -1.38 0.96 0.52 4.98 1.02 -1.05 -4.96 119.74 119.84 1u2j s LYS 654 Ca 0.19 -0.20 -0.18 0.00 0.02 0.00 0.00 55.97 55.80 1u2j s LYS 654 Cb -0.12 0.44 -0.07 0.00 -0.52 0.00 0.00 37.83 37.56 1u2j s LYS 654 CO 0.09 -0.33 1.03 0.00 -0.92 0.00 0.00 175.35 175.22 1u2j s ALA 655 N -2.15 2.87 -0.13 5.17 0.00 -1.26 -0.65 121.76 125.61 1u2j s ALA 655 Ca -0.07 0.46 -0.08 0.00 0.00 0.00 0.00 51.96 52.28 1u2j s ALA 655 Cb -0.01 -3.22 -0.03 0.00 0.00 0.00 0.00 23.12 19.86 1u2j s ALA 655 CO 0.00 -0.43 -0.15 1.79 0.00 0.00 0.00 175.76 176.97 1u2j h THR 656 N 1.13 0.00 -1.25 0.00 1.35 -1.54 -3.46 112.91 109.15 1u2j h THR 656 Ca -0.48 -0.92 0.00 0.00 -0.55 0.00 0.00 66.41 64.46 1u2j h THR 656 Cb 1.21 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.63 1u2j h THR 656 CO 0.59 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 176.33 1u2j n ASP 657 N -4.43 -0.15 -0.00 5.36 8.00 -1.26 -5.00 116.55 119.05 1u2j n ASP 657 Ca -0.06 -0.35 0.04 0.00 0.71 0.00 0.00 54.79 55.13 1u2j n ASP 657 Cb 0.23 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.26 1u2j n ASP 657 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1u2j n GLU 658 N -0.50 0.59 -0.15 -1.24 4.07 -1.26 -4.36 120.64 117.78 1u2j n GLU 658 Ca 0.00 -0.07 0.10 0.00 -0.06 0.00 0.00 57.16 57.13 1u2j n GLU 658 Cb 0.00 -1.17 0.20 0.00 -0.06 0.00 0.00 31.44 30.40 1u2j n GLU 658 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 1u2j n SER 659 N -1.74 0.04 -2.38 4.31 3.41 -1.26 -4.83 113.62 111.17 1u2j n SER 659 Ca -0.01 0.78 -0.17 0.00 -0.26 0.00 0.00 58.87 59.20 1u2j n SER 659 Cb 0.21 -0.33 0.03 0.00 -0.26 0.00 0.00 64.21 63.87 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 -4.30 -3.89 0.00 4.33 4.76 -1.26 -4.92 118.16 112.88 1u2j n LYS 660 Ca 0.14 0.70 0.09 0.00 -2.87 0.00 0.00 58.31 56.37 1u2j n LYS 660 Cb 0.46 -5.11 0.07 0.00 -1.84 0.00 0.00 35.03 28.61 1u2j n LYS 660 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1u2j n GLU 661 N -3.29 1.64 -3.70 1.97 -0.58 -1.26 -4.79 120.64 110.62 1u2j n GLU 661 Ca -0.08 -1.56 -0.17 0.00 -0.42 0.00 0.00 57.16 54.92 1u2j n GLU 661 Cb 0.59 -1.36 -0.16 0.00 -0.57 0.00 0.00 31.44 29.93 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 -1.64 0.33 0.06 -4.62 2.96 -1.26 -4.08 118.68 110.43 1u2j s LEU 662 Ca 0.22 0.18 0.07 0.00 -0.22 0.00 0.00 54.13 54.37 1u2j s LEU 662 Cb 0.16 0.06 -0.04 0.00 0.50 0.00 0.00 46.19 46.87 1u2j s LEU 662 CO 0.26 -0.21 -0.14 -0.36 -1.32 0.00 0.00 176.35 174.58 1u2j s PHE 663 N 1.87 2.67 -0.16 5.38 0.40 0.19 -1.24 117.98 127.09 1u2j s PHE 663 Ca -0.00 -0.19 -0.06 0.00 -0.60 0.00 0.00 56.93 56.08 1u2j s PHE 663 Cb -0.12 -1.46 -0.04 0.00 0.51 0.00 0.00 43.02 41.91 1u2j s PHE 663 CO -0.04 0.34 0.04 -1.21 0.70 0.00 0.00 175.22 175.05 1u2j s GLU 664 N -1.76 3.74 -0.67 0.44 2.02 0.17 -0.12 118.70 122.51 1u2j s GLU 664 Ca 0.18 -0.37 -0.18 0.00 0.02 0.00 0.00 54.97 54.61 1u2j s GLU 664 Cb -0.11 -3.09 0.12 0.00 0.10 0.00 0.00 34.13 31.15 1u2j s GLU 664 CO 0.09 0.37 0.79 0.20 0.02 0.00 0.00 175.26 176.72 1u2j s GLY 665 N 0.08 1.88 -0.24 -1.39 0.00 0.46 -2.53 107.32 105.58 1u2j s GLY 665 Ca 0.04 -2.42 -0.15 0.00 0.00 0.00 0.00 44.72 42.19 1u2j s GLY 665 CO 0.01 1.63 0.37 -1.60 0.00 0.00 0.00 173.10 173.52 1u2j s ARG 666 N 2.46 4.09 0.39 2.90 3.52 0.07 -0.72 118.95 131.66 1u2j s ARG 666 Ca 0.16 0.10 -0.26 0.00 -0.13 0.00 0.00 55.73 55.59 1u2j s ARG 666 Cb -0.19 -3.59 -0.09 0.00 -1.56 0.00 0.00 34.95 29.52 1u2j s ARG 666 CO 0.02 -0.15 1.23 0.34 -0.81 0.00 0.00 175.30 175.93 1u2j s ASP 667 N 1.32 6.51 -0.09 -2.12 -1.08 -0.75 -0.31 116.67 120.16 1u2j s ASP 667 Ca 0.16 2.49 -0.17 0.00 -0.52 0.00 0.00 52.55 54.52 1u2j s ASP 667 Cb -0.15 -2.63 -0.28 0.00 -1.46 0.00 0.00 42.92 38.40 1u2j s ASP 667 CO 0.09 -0.69 0.62 0.03 0.52 0.00 0.00 175.17 175.73 1u2j h ARG 668 N 2.80 0.25 -0.89 4.34 3.08 -1.81 -3.12 114.38 119.03 1u2j h ARG 668 Ca -0.49 -0.43 0.24 0.00 0.07 0.00 0.00 59.98 59.37 1u2j h ARG 668 Cb 1.24 0.16 -0.14 0.00 0.08 0.00 0.00 29.97 31.30 1u2j h ARG 668 CO 0.63 1.21 0.23 0.93 -1.07 0.00 0.00 179.97 181.90 1u2j h GLU 669 N -0.33 0.19 -1.93 0.04 5.08 -1.93 -3.37 114.58 112.33 1u2j h GLU 669 Ca -0.27 -0.01 -0.36 0.00 -1.00 0.00 0.00 59.36 57.72 1u2j h GLU 669 Cb 1.73 -0.04 -0.31 0.00 0.50 0.00 0.00 28.75 30.63 1u2j h GLU 669 CO 0.08 0.12 -0.68 0.95 -1.00 0.00 0.00 179.01 178.48 1u2j s THR 670 N -5.93 -0.34 0.00 1.13 -4.23 -1.26 -5.00 115.64 100.01 1u2j s THR 670 Ca -0.12 -0.97 0.00 0.00 -1.18 0.00 0.00 61.69 59.42 1u2j s THR 670 Cb 0.26 -0.67 0.00 0.00 1.34 0.00 0.00 72.50 73.43 1u2j s THR 670 CO 0.77 -0.57 0.00 0.61 -0.54 0.00 0.00 174.62 174.89 1u2j n GLY 671 N 4.25 0.00 3.71 3.99 0.00 -1.18 -4.40 105.19 111.57 1u2j n GLY 671 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1u2j n GLY 671 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1u2j s GLU 672 N -0.13 4.28 0.12 1.61 -1.05 -1.26 -4.54 118.70 117.72 1u2j s GLU 672 Ca 0.00 2.18 -0.31 0.00 -0.15 0.00 0.00 54.97 56.69 1u2j s GLU 672 Cb 0.00 -3.23 -0.10 0.00 -0.44 0.00 0.00 34.13 30.36 1u2j s GLU 672 CO 0.00 -0.51 1.74 0.08 0.95 0.00 0.00 175.26 177.52 1u2j s VAL 673 N 1.19 2.67 -0.26 1.83 1.01 -1.26 -1.80 120.40 123.77 1u2j s VAL 673 Ca 0.67 0.23 -0.16 0.00 0.00 0.00 0.00 61.98 62.72 1u2j s VAL 673 Cb -0.39 -3.15 -0.14 0.00 0.00 0.00 0.00 36.38 32.70 1u2j s VAL 673 CO 0.30 0.00 -0.22 0.29 0.00 0.00 0.00 175.10 175.48 1u2j n LYS 674 N 5.35 0.58 -4.22 2.72 4.01 0.10 -4.95 118.16 121.76 1u2j n LYS 674 Ca 0.17 0.34 -0.20 0.00 -0.51 0.00 0.00 58.31 58.10 1u2j n LYS 674 Cb 0.39 -1.55 -0.12 0.00 -0.51 0.00 0.00 35.03 33.23 1u2j n LYS 674 CO 0.00 0.00 0.00 -0.06 -1.11 0.00 0.00 177.40 176.23 1u2j s PHE 675 N -2.48 1.44 0.38 2.13 0.08 -1.19 -4.96 117.98 113.37 1u2j s PHE 675 Ca -0.36 -0.45 0.01 0.00 0.12 0.00 0.00 56.93 56.25 1u2j s PHE 675 Cb 0.13 -0.80 -0.02 0.00 -0.57 0.00 0.00 43.02 41.76 1u2j s PHE 675 CO 0.51 0.12 0.57 0.95 -0.10 0.00 0.00 175.22 177.27 1u2j s THR 676 N -1.26 4.60 -0.07 0.64 -4.23 -1.26 0.17 115.64 114.23 1u2j s THR 676 Ca 0.02 -0.57 -0.15 0.00 -1.18 0.00 0.00 61.69 59.81 1u2j s THR 676 Cb -0.10 -3.67 0.03 0.00 1.34 0.00 0.00 72.50 70.10 1u2j s THR 676 CO 0.03 -0.42 0.36 0.00 -0.54 0.00 0.00 174.62 174.05 1u2j s ALA 677 N -2.37 -0.90 0.64 3.99 0.00 0.83 -1.68 121.76 122.27 1u2j s ALA 677 Ca 0.43 0.70 0.04 0.00 0.00 0.00 0.00 51.96 53.13 1u2j s ALA 677 Cb -0.10 -0.22 0.10 0.00 0.00 0.00 0.00 23.12 22.90 1u2j s ALA 677 CO 0.36 -0.23 0.88 -1.54 0.00 0.00 0.00 175.76 175.23 1u2j s SER 678 N -0.67 4.76 0.24 0.00 1.04 -1.26 0.53 113.70 118.33 1u2j s SER 678 Ca -0.08 -0.54 0.04 0.00 0.48 0.00 0.00 55.95 55.85 1u2j s SER 678 Cb -0.04 0.03 0.27 0.00 0.10 0.00 0.00 66.02 66.38 1u2j s SER 678 CO 0.03 -1.56 1.57 0.03 0.98 0.00 0.00 173.24 174.29 1u2j h ARG 679 N -0.16 0.25 0.00 4.02 3.08 -1.87 -1.86 114.38 117.85 1u2j h ARG 679 Ca -0.34 -0.17 -0.03 0.00 0.07 0.00 0.00 59.98 59.52 1u2j h ARG 679 Cb 1.28 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.35 1u2j h ARG 679 CO 0.41 0.76 -0.13 0.00 -1.07 0.00 0.00 179.97 179.94 1u2j h ALA 680 N 1.20 1.47 0.03 0.04 0.00 -1.92 -1.39 119.26 118.69 1u2j h ALA 680 Ca -0.00 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 1u2j h ALA 680 Cb 1.08 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1u2j h ALA 680 CO 0.09 0.16 -0.52 -0.44 0.00 0.00 0.00 179.25 178.54 1u2j h ASP 681 N 0.00 0.10 1.27 0.00 3.32 -1.82 -3.40 116.42 115.89 1u2j h ASP 681 Ca -0.00 -0.87 -0.11 0.00 0.02 0.00 0.00 57.03 56.07 1u2j h ASP 681 Cb 0.29 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 1u2j h ASP 681 CO 0.02 1.22 -0.52 -0.07 -1.72 0.00 0.00 179.24 178.17 1u2j h LEU 682 N -0.85 0.00 -2.02 1.55 -0.00 -1.21 -3.04 115.31 109.74 1u2j h LEU 682 Ca -0.12 0.00 0.14 0.00 -0.00 0.00 0.00 57.88 57.89 1u2j h LEU 682 Cb 1.22 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.87 1u2j h LEU 682 CO -0.02 0.52 0.40 1.62 -0.00 0.00 0.00 178.44 180.96 1u2j h VAL 683 N 0.00 0.54 0.00 1.22 3.04 -1.46 0.27 116.25 119.86 1u2j h VAL 683 Ca -0.01 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.68 1u2j h VAL 683 Cb 1.29 0.70 0.00 0.00 -2.01 0.00 0.00 31.29 31.27 1u2j h VAL 683 CO 0.07 0.00 0.00 0.49 -1.01 0.00 0.00 177.57 177.12 1u2j n PHE 684 N -4.03 0.00 0.06 3.17 3.72 -1.15 -1.59 117.46 117.63 1u2j n PHE 684 Ca 0.08 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.50 1u2j n PHE 684 Cb 0.60 -0.41 -0.03 0.00 -0.94 0.00 0.00 39.48 38.70 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 -0.18 0.10 0.01 1.37 0.00 0.89 -3.76 105.19 103.63 1u2j n GLY 685 Ca 0.04 -0.09 0.10 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.45 0.44 -4.77 1.61 3.41 -0.89 -4.88 113.62 107.09 1u2j n SER 686 Ca -0.00 -0.04 -0.36 0.00 -0.26 0.00 0.00 58.87 58.21 1u2j n SER 686 Cb 0.08 1.88 -0.07 0.00 -0.26 0.00 0.00 64.21 65.84 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 -4.25 6.37 0.15 4.04 2.47 -0.62 -5.02 114.94 118.08 1u2j s ASN 687 Ca -0.07 0.43 -0.09 0.00 0.42 0.00 0.00 52.86 53.56 1u2j s ASN 687 Cb 0.13 -2.13 -0.02 0.00 -1.45 0.00 0.00 41.25 37.78 1u2j s ASN 687 CO 0.83 0.21 1.44 0.28 -3.72 0.00 0.00 177.10 176.14 1u2j h SER 688 N 6.16 0.86 -0.19 -4.21 0.02 -1.90 -1.82 113.55 112.47 1u2j h SER 688 Ca -0.45 -0.46 -0.03 0.00 -0.84 0.00 0.00 61.79 60.01 1u2j h SER 688 Cb 1.18 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.46 1u2j h SER 688 CO 0.71 1.24 -0.00 0.58 -1.14 0.00 0.00 176.83 178.22 1u2j h VAL 689 N 0.59 1.25 0.00 2.27 2.07 -1.97 -2.60 116.25 117.86 1u2j h VAL 689 Ca 0.01 -0.86 -0.03 0.00 0.82 0.00 0.00 66.70 66.64 1u2j h VAL 689 Cb 1.15 1.45 -0.00 0.00 -1.52 0.00 0.00 31.29 32.37 1u2j h VAL 689 CO 0.12 0.26 -0.15 -0.07 0.02 0.00 0.00 177.57 177.75 1u2j h LEU 690 N 0.09 0.00 0.00 2.57 3.38 -1.84 -2.86 115.31 116.64 1u2j h LEU 690 Ca 0.05 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.78 1u2j h LEU 690 Cb 0.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1u2j h LEU 690 CO 0.01 0.15 -1.09 -0.09 0.09 0.00 0.00 178.44 177.50 1u2j h ARG 691 N 0.00 0.19 0.00 1.13 1.12 -1.19 0.18 114.38 115.80 1u2j h ARG 691 Ca -0.00 -0.29 -0.04 0.00 -1.11 0.00 0.00 59.98 58.54 1u2j h ARG 691 Cb 0.46 0.10 -0.01 0.00 -0.01 0.00 0.00 29.97 30.52 1u2j h ARG 691 CO 0.02 1.10 -0.18 0.00 -3.11 0.00 0.00 179.97 177.80 1u2j h ALA 692 N 0.78 1.15 0.00 2.80 0.00 -1.23 0.83 119.26 123.59 1u2j h ALA 692 Ca -0.08 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1u2j h ALA 692 Cb 1.81 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.57 1u2j h ALA 692 CO 0.17 0.23 -0.14 0.28 0.00 0.00 0.00 179.25 179.79 1u2j h VAL 693 N 0.00 0.94 -0.86 0.00 2.07 -1.45 -3.29 116.25 113.67 1u2j h VAL 693 Ca -0.00 -1.75 0.22 0.00 0.82 0.00 0.00 66.70 65.99 1u2j h VAL 693 Cb 0.55 1.83 -0.14 0.00 -1.52 0.00 0.00 31.29 32.00 1u2j h VAL 693 CO 0.02 0.32 0.13 0.00 0.02 0.00 0.00 177.57 178.06 1u2j h ALA 694 N -0.48 1.10 -0.57 1.67 0.00 -0.85 0.46 119.26 120.60 1u2j h ALA 694 Ca -0.03 0.25 0.05 0.00 0.00 0.00 0.00 54.91 55.18 1u2j h ALA 694 Cb 0.62 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1u2j h ALA 694 CO -0.02 -0.47 0.38 0.93 0.00 0.00 0.00 179.25 180.07 1u2j h GLU 695 N 0.14 0.58 0.00 0.00 5.08 -0.96 -0.23 114.58 119.19 1u2j h GLU 695 Ca 0.52 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.76 1u2j h GLU 695 Cb 1.01 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 1u2j h GLU 695 CO -0.70 0.38 -0.36 0.28 -1.00 0.00 0.00 179.01 177.61 1u2j h VAL 696 N 0.59 1.03 -0.38 3.13 2.07 -0.15 -0.21 116.25 122.33 1u2j h VAL 696 Ca 0.24 -1.36 0.00 0.00 0.82 0.00 0.00 66.70 66.40 1u2j h VAL 696 Cb 0.20 1.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 1u2j h VAL 696 CO -0.07 0.36 0.00 -1.22 0.02 0.00 0.00 177.57 176.66 1u2j n TYR 697 N -3.77 0.51 0.09 1.57 4.01 -0.14 -4.25 117.16 115.17 1u2j n TYR 697 Ca -0.01 -0.25 0.08 0.00 -0.16 0.00 0.00 57.90 57.56 1u2j n TYR 697 Cb 0.44 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.35 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 0.89 2.78 -1.76 -0.72 0.00 -0.09 -4.66 120.51 116.95 1u2j n ALA 698 Ca 0.17 -0.39 -0.40 0.00 0.00 0.00 0.00 53.44 52.82 1u2j n ALA 698 Cb 0.43 -0.56 -0.04 0.00 0.00 0.00 0.00 19.45 19.29 1u2j n ALA 698 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1u2j s SER 699 N -3.68 7.10 0.60 0.00 1.04 -1.21 -4.63 113.70 112.93 1u2j s SER 699 Ca -0.04 2.28 0.31 0.00 0.48 0.00 0.00 55.95 58.97 1u2j s SER 699 Cb 0.11 -2.62 1.06 0.00 0.10 0.00 0.00 66.02 64.66 1u2j s SER 699 CO 0.67 -0.26 1.35 0.77 0.98 0.00 0.00 173.24 176.74 1u2j h SER 700 N 3.51 0.00 -0.32 7.02 4.64 -1.96 0.39 113.55 126.83 1u2j h SER 700 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1u2j h SER 700 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1u2j h SER 700 CO 0.66 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.72 1u2j n ASP 701 N -3.37 4.23 -1.08 4.97 3.85 -1.26 -4.46 116.55 119.43 1u2j n ASP 701 Ca 0.27 -3.00 0.12 0.00 -0.71 0.00 0.00 54.79 51.47 1u2j n ASP 701 Cb 1.63 -0.57 0.17 0.00 -1.35 0.00 0.00 41.12 41.00 1u2j n ASP 701 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1u2j n ALA 702 N -0.30 2.43 -0.11 2.12 0.00 0.14 -4.65 120.51 120.14 1u2j n ALA 702 Ca 0.23 -0.89 -0.05 0.00 0.00 0.00 0.00 53.44 52.72 1u2j n ALA 702 Cb 0.95 -0.84 0.02 0.00 0.00 0.00 0.00 19.45 19.58 1u2j n ALA 702 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1u2j h HIS 703 N 4.52 0.10 0.00 0.00 3.86 -1.78 0.14 115.15 121.99 1u2j h HIS 703 Ca 0.00 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1u2j h HIS 703 Cb 0.99 0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.47 1u2j h HIS 703 CO 0.17 0.00 0.00 0.39 0.86 0.00 0.00 177.93 179.35 1u2j n GLU 704 N -5.11 0.00 0.00 2.45 -0.58 -1.26 -2.26 120.64 113.88 1u2j n GLU 704 Ca 0.02 0.33 0.00 0.00 -0.42 0.00 0.00 57.16 57.09 1u2j n GLU 704 Cb 0.17 -1.09 0.00 0.00 -0.57 0.00 0.00 31.44 29.95 1u2j n GLU 704 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1u2j n LYS 705 N -1.49 0.00 -0.14 3.49 0.00 -1.24 0.19 118.16 118.96 1u2j n LYS 705 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 58.31 58.22 1u2j n LYS 705 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 35.03 35.03 1u2j n LYS 705 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.40 177.75 1u2j h PHE 706 N 0.00 0.62 0.02 5.64 3.57 -0.64 -0.46 116.94 125.69 1u2j h PHE 706 Ca 0.00 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.46 1u2j h PHE 706 Cb 0.00 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.55 1u2j h PHE 706 CO 0.00 0.54 -0.01 0.28 -2.23 0.00 0.00 178.31 176.89 1u2j h VAL 707 N 0.52 1.03 0.54 1.41 2.07 0.19 1.01 116.25 123.03 1u2j h VAL 707 Ca 0.14 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 1u2j h VAL 707 Cb 0.18 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1u2j h VAL 707 CO -0.01 0.04 -0.48 0.11 0.02 0.00 0.00 177.57 177.25 1u2j h LYS 708 N -0.09 -0.97 -1.02 1.57 6.56 -0.33 0.55 116.57 122.84 1u2j h LYS 708 Ca -0.00 0.07 0.24 0.00 -1.06 0.00 0.00 60.65 59.90 1u2j h LYS 708 Cb 0.09 0.22 -0.11 0.00 -0.57 0.00 0.00 32.23 31.86 1u2j h LYS 708 CO 0.00 -0.65 0.63 -0.44 -2.06 0.00 0.00 179.45 176.93 1u2j h ASP 709 N -1.01 0.60 -0.20 0.86 3.45 -1.13 0.15 116.42 119.15 1u2j h ASP 709 Ca -0.06 0.11 0.00 0.00 0.43 0.00 0.00 57.03 57.51 1u2j h ASP 709 Cb 0.86 0.01 -0.01 0.00 -0.56 0.00 0.00 39.33 39.63 1u2j h ASP 709 CO -0.03 0.12 0.13 0.15 -1.57 0.00 0.00 179.24 178.05 1u2j h PHE 710 N 0.53 0.25 -0.48 4.55 3.57 0.26 -2.64 116.94 122.98 1u2j h PHE 710 Ca 0.61 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 62.01 1u2j h PHE 710 Cb 1.29 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.93 1u2j h PHE 710 CO -0.00 0.16 -0.14 0.28 -2.23 0.00 0.00 178.31 176.38 1u2j h VAL 711 N 0.27 1.27 -0.04 1.41 2.07 0.17 -0.34 116.25 121.06 1u2j h VAL 711 Ca 0.07 -1.29 -0.00 0.00 0.82 0.00 0.00 66.70 66.30 1u2j h VAL 711 Cb -0.03 1.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1u2j h VAL 711 CO -0.02 0.45 0.02 0.00 0.02 0.00 0.00 177.57 178.04 1u2j h ALA 712 N 0.88 0.05 0.07 1.67 0.00 -0.82 -0.54 119.26 120.58 1u2j h ALA 712 Ca 0.12 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1u2j h ALA 712 Cb 0.71 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1u2j h ALA 712 CO 0.05 -0.39 -0.03 0.00 0.00 0.00 0.00 179.25 178.87 1u2j h ALA 713 N 0.91 -0.09 -0.63 0.00 0.00 -1.32 -0.41 119.26 117.72 1u2j h ALA 713 Ca 0.01 -0.06 0.10 0.00 0.00 0.00 0.00 54.91 54.97 1u2j h ALA 713 Cb 0.11 0.04 -0.12 0.00 0.00 0.00 0.00 17.79 17.82 1u2j h ALA 713 CO -0.00 -0.52 -0.37 2.35 0.00 0.00 0.00 179.25 180.71 1u2j h TRP 714 N -0.17 -1.05 -0.09 0.00 2.91 -0.98 -1.21 115.95 115.35 1u2j h TRP 714 Ca -0.01 0.08 -0.08 0.00 1.13 0.00 0.00 58.89 60.01 1u2j h TRP 714 Cb 0.14 0.55 -0.01 0.00 -0.51 0.00 0.00 29.16 29.33 1u2j h TRP 714 CO -0.05 -0.40 -0.30 0.28 -1.03 0.00 0.00 178.44 176.94 1u2j h VAL 715 N -0.16 1.25 -0.11 2.65 2.07 -0.89 -2.11 116.25 118.94 1u2j h VAL 715 Ca 0.23 -1.20 -0.12 0.00 0.82 0.00 0.00 66.70 66.43 1u2j h VAL 715 Cb 0.56 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 1u2j h VAL 715 CO -0.71 0.36 -0.46 0.50 0.02 0.00 0.00 177.57 177.27 1u2j h LYS 716 N 0.15 0.27 -0.45 1.57 3.64 0.04 -2.22 116.57 119.56 1u2j h LYS 716 Ca 0.02 -0.14 -0.11 0.00 -1.27 0.00 0.00 60.65 59.15 1u2j h LYS 716 Cb 0.62 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 1u2j h LYS 716 CO 0.05 0.68 -0.16 0.28 -2.27 0.00 0.00 179.45 178.03 1u2j h VAL 717 N 0.22 1.27 0.00 2.00 2.07 -0.66 -2.90 116.25 118.24 1u2j h VAL 717 Ca 0.01 -1.28 -0.03 0.00 0.82 0.00 0.00 66.70 66.23 1u2j h VAL 717 Cb 0.90 1.08 -0.00 0.00 -1.52 0.00 0.00 31.29 31.75 1u2j h VAL 717 CO 0.07 0.44 -0.14 0.24 0.02 0.00 0.00 177.57 178.20 1u2j h MET 718 N 0.77 0.00 -0.48 1.57 2.86 -0.91 -2.96 114.93 115.78 1u2j h MET 718 Ca 0.12 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 1u2j h MET 718 Cb 0.68 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.34 1u2j h MET 718 CO 0.05 0.14 0.00 0.09 1.06 0.00 0.00 176.91 178.25 1u2j n ASN 719 N -3.92 3.30 -0.25 1.22 3.02 -0.88 -4.64 115.26 113.10 1u2j n ASN 719 Ca -0.02 -1.98 -0.02 0.00 -0.03 0.00 0.00 54.58 52.53 1u2j n ASN 719 Cb 0.23 -0.32 0.10 0.00 -0.61 0.00 0.00 39.78 39.18 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 2.96 0.67 -1.35 3.41 3.38 -1.34 -1.51 115.31 121.54 1u2j h LEU 720 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1u2j h LEU 720 Cb 0.83 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1u2j h LEU 720 CO 0.00 0.44 0.00 -0.90 0.09 0.00 0.00 178.44 178.07 1u2j n ASP 721 N -4.71 2.04 -3.06 -0.43 5.68 -1.26 -4.61 116.55 110.20 1u2j n ASP 721 Ca 0.09 -1.73 -0.27 0.00 -0.50 0.00 0.00 54.79 52.38 1u2j n ASP 721 Cb 0.15 -0.09 -0.04 0.00 -1.14 0.00 0.00 41.12 40.00 1u2j n ASP 721 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1u2j n ARG 722 N 0.58 2.66 0.25 0.11 5.12 -0.57 -4.50 116.66 120.32 1u2j n ARG 722 Ca 0.17 -1.65 0.10 0.00 -1.93 0.00 0.00 57.85 54.53 1u2j n ARG 722 Cb 0.41 -2.50 0.65 0.00 -1.16 0.00 0.00 32.46 29.85 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 5.36 0.00 -0.40 -1.55 0.04 -1.84 0.14 116.94 118.69 1u2j h PHE 723 Ca 0.60 0.00 0.12 0.00 2.80 0.00 0.00 57.97 61.48 1u2j h PHE 723 Cb 0.37 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.50 1u2j h PHE 723 CO 1.88 0.13 0.35 0.38 -0.60 0.00 0.00 178.31 180.45 1u2j h ASP 724 N 0.00 0.00 -0.36 2.17 -0.00 -1.99 -3.44 116.42 112.79 1u2j h ASP 724 Ca -0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 57.03 56.97 1u2j h ASP 724 Cb 0.28 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 39.60 1u2j h ASP 724 CO 0.02 0.00 -0.07 -0.11 -0.00 0.00 0.00 179.24 179.07 1u2j n LEU 725 N -4.03 -0.88 0.00 0.15 7.94 0.48 -5.25 117.00 115.42 1u2j n LEU 725 Ca 0.07 0.02 0.00 0.00 -1.11 0.00 0.00 56.01 54.99 1u2j n LEU 725 Cb 0.54 -0.87 0.00 0.00 0.53 0.00 0.00 43.42 43.62 1u2j n LEU 725 CO 0.32 -0.07 0.00 -0.11 -1.11 0.00 0.00 177.39 176.41