#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wpq h LYS 451 N 0.00 0.30 -0.59 2.12 3.11 -2.05 -0.67 116.57 118.78 2wpq h LYS 451 Ca 0.00 -0.11 -0.00 0.00 -2.81 0.00 0.00 60.65 57.73 2wpq h LYS 451 Cb 0.00 -0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 31.18 2wpq h LYS 451 CO 0.00 0.55 0.36 1.96 -2.81 0.00 0.00 179.45 179.51 2wpq h GLN 452 N 0.02 0.80 -0.79 1.90 4.20 -2.05 -0.81 115.11 118.38 2wpq h GLN 452 Ca 0.04 -0.07 -0.05 0.00 0.06 0.00 0.00 58.65 58.63 2wpq h GLN 452 Cb 0.43 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 28.01 2wpq h GLN 452 CO 0.01 0.58 0.31 0.82 -0.67 0.00 0.00 178.83 179.88 2wpq h ILE 453 N 0.80 1.26 -0.61 2.54 2.04 -1.97 -0.51 117.51 121.06 2wpq h ILE 453 Ca 0.21 -0.83 -0.02 0.00 1.00 0.00 0.00 64.86 65.23 2wpq h ILE 453 Cb -0.02 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 36.35 2wpq h ILE 453 CO -0.04 0.34 0.32 -0.33 0.00 0.00 0.00 178.15 178.43 2wpq h GLU 454 N 1.15 0.87 -0.86 2.37 5.08 -0.72 0.96 114.58 123.44 2wpq h GLU 454 Ca 0.26 -0.12 0.03 0.00 -1.00 0.00 0.00 59.36 58.54 2wpq h GLU 454 Cb 0.22 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.26 2wpq h GLU 454 CO -0.02 0.68 0.55 -0.44 -1.00 0.00 0.00 179.01 178.79 2wpq h ASP 455 N 0.84 0.93 -0.59 1.42 3.32 -0.61 -0.34 116.42 121.39 2wpq h ASP 455 Ca 0.21 -0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.15 2wpq h ASP 455 Cb 0.08 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 2wpq h ASP 455 CO -0.03 0.64 -0.04 0.11 -1.72 0.00 0.00 179.24 178.20 2wpq h LYS 456 N 1.09 1.07 -0.69 3.56 1.57 -0.58 -2.29 116.57 120.30 2wpq h LYS 456 Ca 0.34 -0.36 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 2wpq h LYS 456 Cb -0.02 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.18 2wpq h LYS 456 CO -0.11 1.06 0.21 0.82 -0.57 0.00 0.00 179.45 180.87 2wpq h ILE 457 N 0.96 1.25 -0.51 1.86 2.04 -0.30 -0.38 117.51 122.44 2wpq h ILE 457 Ca 0.16 -0.88 0.00 0.00 1.00 0.00 0.00 64.86 65.15 2wpq h ILE 457 Cb 0.61 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 2wpq h ILE 457 CO 0.04 0.34 0.33 -0.33 0.00 0.00 0.00 178.15 178.53 2wpq h GLU 458 N 1.02 0.67 -0.51 2.37 5.08 -0.88 0.14 114.58 122.48 2wpq h GLU 458 Ca 0.22 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.44 2wpq h GLU 458 Cb 0.30 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 2wpq h GLU 458 CO -0.01 0.46 -0.07 0.93 -1.00 0.00 0.00 179.01 179.32 2wpq h GLU 459 N 0.68 0.91 0.06 2.33 4.39 -0.80 -2.33 114.58 119.83 2wpq h GLU 459 Ca 0.18 -0.30 -0.00 0.00 0.34 0.00 0.00 59.36 59.58 2wpq h GLU 459 Cb -0.06 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.51 2wpq h GLU 459 CO -0.04 0.94 -0.03 0.82 -1.16 0.00 0.00 179.01 179.54 2wpq h ILE 460 N 0.82 0.99 -0.66 3.13 2.04 -0.54 -1.11 117.51 122.19 2wpq h ILE 460 Ca 0.14 -0.18 0.03 0.00 1.00 0.00 0.00 64.86 65.85 2wpq h ILE 460 Cb 0.58 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 37.74 2wpq h ILE 460 CO 0.04 0.05 0.41 -0.07 0.00 0.00 0.00 178.15 178.57 2wpq h LEU 461 N -0.17 0.66 -0.32 1.44 3.38 -0.63 0.61 115.31 120.29 2wpq h LEU 461 Ca -0.01 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 2wpq h LEU 461 Cb 0.14 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2wpq h LEU 461 CO 0.01 0.46 0.19 0.28 0.09 0.00 0.00 178.44 179.47 2wpq h SER 462 N 0.80 0.31 -0.42 -0.43 0.02 -1.16 0.17 113.55 112.83 2wpq h SER 462 Ca 0.27 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 61.24 2wpq h SER 462 Cb 0.03 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.48 2wpq h SER 462 CO -0.11 0.22 0.24 0.11 -1.14 0.00 0.00 176.83 176.15 2wpq h LYS 463 N 0.38 0.48 -0.60 3.45 1.57 -0.71 -1.13 116.57 120.00 2wpq h LYS 463 Ca 0.12 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 2wpq h LYS 463 Cb -0.00 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 2wpq h LYS 463 CO -0.06 0.32 0.33 0.82 -0.57 0.00 0.00 179.45 180.29 2wpq h ILE 464 N 0.49 1.20 -0.45 1.86 2.04 -0.39 0.87 117.51 123.13 2wpq h ILE 464 Ca 0.17 -0.51 0.06 0.00 1.00 0.00 0.00 64.86 65.58 2wpq h ILE 464 Cb 0.02 0.43 -0.05 0.00 -0.74 0.00 0.00 36.82 36.48 2wpq h ILE 464 CO -0.09 0.22 0.15 0.22 0.00 0.00 0.00 178.15 178.65 2wpq h TYR 465 N 0.82 0.26 -0.45 1.37 3.20 -0.75 -0.11 116.97 121.32 2wpq h TYR 465 Ca 0.21 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.10 2wpq h TYR 465 Cb 0.05 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.25 2wpq h TYR 465 CO -0.01 0.09 0.25 1.25 -1.64 0.00 0.00 178.16 178.09 2wpq h HIS 466 N 0.31 0.63 -0.72 -3.82 2.76 -0.43 -2.16 115.15 111.72 2wpq h HIS 466 Ca 0.21 -0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.40 2wpq h HIS 466 Cb 0.22 -0.20 -0.05 0.00 1.55 0.00 0.00 27.41 28.93 2wpq h HIS 466 CO -0.16 0.48 0.45 0.82 -1.30 0.00 0.00 177.93 178.21 2wpq h ILE 467 N 0.59 1.08 -0.52 6.26 2.04 -0.34 0.39 117.51 127.02 2wpq h ILE 467 Ca 0.16 -0.30 0.02 0.00 1.00 0.00 0.00 64.86 65.75 2wpq h ILE 467 Cb 0.06 0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 36.25 2wpq h ILE 467 CO -0.03 0.16 0.31 -0.33 0.00 0.00 0.00 178.15 178.26 2wpq h GLU 468 N 0.86 0.60 -0.31 2.37 5.08 -0.75 0.97 114.58 123.41 2wpq h GLU 468 Ca 0.29 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.61 2wpq h GLU 468 Cb 0.04 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 2wpq h GLU 468 CO -0.12 0.40 0.19 -0.91 -1.00 0.00 0.00 179.01 177.56 2wpq h ASN 469 N 0.62 0.37 -0.31 1.42 2.35 -0.97 -1.13 115.58 117.93 2wpq h ASN 469 Ca 0.21 -0.05 0.06 0.00 -0.55 0.00 0.00 56.30 55.97 2wpq h ASN 469 Cb 0.02 -0.09 -0.05 0.00 0.05 0.00 0.00 38.32 38.25 2wpq h ASN 469 CO -0.09 0.31 -0.02 -0.33 -1.65 0.00 0.00 177.43 175.64 2wpq h GLU 470 N 0.39 0.06 -0.74 0.81 4.39 -0.45 -1.09 114.58 117.95 2wpq h GLU 470 Ca 0.11 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.81 2wpq h GLU 470 Cb 0.01 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.61 2wpq h GLU 470 CO -0.02 0.04 0.46 0.82 -1.16 0.00 0.00 179.01 179.15 2wpq h ILE 471 N 0.06 1.21 -0.43 3.13 2.04 -0.51 0.16 117.51 123.16 2wpq h ILE 471 Ca 0.15 -0.44 0.02 0.00 1.00 0.00 0.00 64.86 65.59 2wpq h ILE 471 Cb 0.21 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.42 2wpq h ILE 471 CO -0.27 0.21 0.26 0.00 0.00 0.00 0.00 178.15 178.35 2wpq h ALA 472 N 1.25 0.55 -0.41 1.87 0.00 -0.95 0.55 119.26 122.12 2wpq h ALA 472 Ca 0.27 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.20 2wpq h ALA 472 Cb -0.06 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 2wpq h ALA 472 CO -0.05 -0.05 0.18 0.00 0.00 0.00 0.00 179.25 179.33 2wpq h ARG 473 N 0.53 0.37 -0.88 0.00 -0.00 -0.31 -2.04 114.38 112.05 2wpq h ARG 473 Ca 0.17 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.98 59.61 2wpq h ARG 473 Cb -0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 29.97 29.84 2wpq h ARG 473 CO -0.07 0.24 0.48 0.82 0.00 0.00 0.00 179.97 181.44 2wpq h ILE 474 N 0.38 1.25 -0.38 2.04 2.04 -0.22 -1.22 117.51 121.40 2wpq h ILE 474 Ca 0.18 -0.63 -0.01 0.00 1.00 0.00 0.00 64.86 65.40 2wpq h ILE 474 Cb 0.11 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.24 2wpq h ILE 474 CO -0.14 0.29 0.19 0.11 0.00 0.00 0.00 178.15 178.59 2wpq h LYS 475 N 1.23 0.55 -0.28 2.37 1.57 -0.56 -1.28 116.57 120.16 2wpq h LYS 475 Ca 0.31 -0.08 0.04 0.00 -1.87 0.00 0.00 60.65 59.05 2wpq h LYS 475 Cb 0.03 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.20 2wpq h LYS 475 CO -0.05 0.47 0.06 -0.22 -0.57 0.00 0.00 179.45 179.14 2wpq h LYS 476 N 0.48 0.16 -0.53 3.15 1.63 -1.01 -1.22 116.57 119.24 2wpq h LYS 476 Ca 0.13 -0.01 0.10 0.00 -0.85 0.00 0.00 60.65 60.02 2wpq h LYS 476 Cb 0.10 -0.04 -0.08 0.00 -0.60 0.00 0.00 32.23 31.62 2wpq h LYS 476 CO -0.02 0.11 0.10 -0.07 -3.45 0.00 0.00 179.45 176.12 2wpq h LEU 477 N 0.17 -0.02 -0.48 5.20 4.07 -0.93 -0.23 115.31 123.08 2wpq h LEU 477 Ca 0.13 0.10 -0.02 0.00 0.08 0.00 0.00 57.88 58.17 2wpq h LEU 477 Cb 0.13 0.14 -0.02 0.00 1.08 0.00 0.00 40.66 41.99 2wpq h LEU 477 CO -0.17 0.01 0.21 0.40 -1.08 0.00 0.00 178.44 177.82 2wpq h ILE 478 N 0.23 1.20 -0.22 1.22 2.04 -0.69 0.15 117.51 121.44 2wpq h ILE 478 Ca 0.27 -0.59 -0.15 0.00 1.00 0.00 0.00 64.86 65.39 2wpq h ILE 478 Cb 0.39 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 2wpq h ILE 478 CO -0.36 0.23 -0.48 -0.26 0.00 0.00 0.00 178.15 177.27 2wpq h PHE 479 N 0.63 0.72 -0.50 1.37 0.04 -0.87 -1.02 116.94 117.32 2wpq h PHE 479 Ca 0.16 -0.23 -0.07 0.00 2.80 0.00 0.00 57.97 60.63 2wpq h PHE 479 Cb 0.15 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.14 2wpq h PHE 479 CO -0.00 0.95 0.02 -0.44 -0.60 0.00 0.00 178.31 178.24 2wpq h ASP 480 N 0.47 0.78 -0.65 2.17 3.32 -0.79 -0.83 116.42 120.89 2wpq h ASP 480 Ca 0.02 -0.18 -0.00 0.00 0.02 0.00 0.00 57.03 56.89 2wpq h ASP 480 Cb 1.01 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 40.32 2wpq h ASP 480 CO 0.09 0.84 0.39 0.74 -1.72 0.00 0.00 179.24 179.58 2wpq h THR 481 N 0.76 1.19 0.00 0.35 2.02 -0.38 -2.88 112.91 113.97 2wpq h THR 481 Ca 0.15 -0.42 -0.07 0.00 0.77 0.00 0.00 66.41 66.84 2wpq h THR 481 Cb 0.44 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 2wpq h THR 481 CO 0.02 0.19 -0.35 0.78 0.37 0.00 0.00 175.52 176.53 2wpq h ASN 482 N 0.88 0.00 -0.45 4.18 2.35 -0.75 -0.63 115.58 121.16 2wpq h ASN 482 Ca 0.23 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 56.00 2wpq h ASN 482 Cb -0.02 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.32 2wpq h ASN 482 CO -0.04 0.35 0.26 -0.33 -1.65 0.00 0.00 177.43 176.02 2wpq h GLU 483 N 0.00 0.52 -0.26 0.81 5.08 -0.96 -0.72 114.58 119.05 2wpq h GLU 483 Ca -0.00 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 2wpq h GLU 483 Cb 0.90 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 2wpq h GLU 483 CO 0.05 0.34 -0.03 0.87 -1.00 0.00 0.00 179.01 179.24 2wpq h LYS 484 N 0.53 0.48 -0.95 2.33 1.57 -1.27 -1.90 116.57 117.35 2wpq h LYS 484 Ca 0.18 -0.17 0.02 0.00 -1.87 0.00 0.00 60.65 58.81 2wpq h LYS 484 Cb 0.01 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.23 2wpq h LYS 484 CO -0.08 0.67 0.63 0.28 -0.57 0.00 0.00 179.45 180.38 2wpq h VAL 485 N 0.24 1.22 -0.18 0.50 2.07 -1.04 0.19 116.25 119.26 2wpq h VAL 485 Ca 0.07 -0.43 -0.19 0.00 0.82 0.00 0.00 66.70 66.96 2wpq h VAL 485 Cb 0.47 -0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 2wpq h VAL 485 CO 0.02 0.23 -0.66 0.44 0.02 0.00 0.00 177.57 177.62 2wpq h ASP 486 N 1.27 0.78 -0.70 0.57 3.32 -1.05 -1.33 116.42 119.28 2wpq h ASP 486 Ca 0.36 -0.47 -0.04 0.00 0.02 0.00 0.00 57.03 56.90 2wpq h ASP 486 Cb -0.10 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.19 2wpq h ASP 486 CO -0.09 1.24 0.26 -0.61 -1.72 0.00 0.00 179.24 178.32 2wpq h GLN 487 N 0.49 1.06 -0.47 3.56 5.75 -1.07 -0.83 115.11 123.61 2wpq h GLN 487 Ca -0.02 -0.20 0.08 0.00 -0.15 0.00 0.00 58.65 58.36 2wpq h GLN 487 Cb 1.25 -0.17 -0.07 0.00 1.07 0.00 0.00 27.48 29.57 2wpq h GLN 487 CO 0.13 0.89 0.08 -0.91 -2.65 0.00 0.00 178.83 176.37 2wpq h ASN 488 N 1.01 -0.03 -0.67 -0.69 2.35 -0.39 -0.39 115.58 116.78 2wpq h ASN 488 Ca 0.23 0.09 -0.04 0.00 -0.55 0.00 0.00 56.30 56.03 2wpq h ASN 488 Cb 0.24 0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.70 2wpq h ASN 488 CO -0.02 0.02 0.27 0.74 -1.65 0.00 0.00 177.43 176.79 2wpq h THR 489 N 0.21 1.24 -0.69 2.81 2.02 -0.85 0.11 112.91 117.76 2wpq h THR 489 Ca 0.23 -0.74 -0.01 0.00 0.77 0.00 0.00 66.41 66.66 2wpq h THR 489 Cb 0.31 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 2wpq h THR 489 CO -0.32 0.30 0.40 0.00 0.37 0.00 0.00 175.52 176.27 2wpq h ALA 490 N 1.12 0.88 -0.39 6.16 0.00 -0.81 -1.46 119.26 124.75 2wpq h ALA 490 Ca 0.22 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 2wpq h ALA 490 Cb 0.20 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2wpq h ALA 490 CO -0.02 0.37 -0.11 -0.44 0.00 0.00 0.00 179.25 179.05 2wpq h ASP 491 N 0.94 0.77 -0.85 0.00 3.32 -0.37 -2.00 116.42 118.23 2wpq h ASP 491 Ca 0.24 -0.37 0.06 0.00 0.02 0.00 0.00 57.03 56.99 2wpq h ASP 491 Cb -0.00 -0.21 -0.06 0.00 0.22 0.00 0.00 39.33 39.28 2wpq h ASP 491 CO -0.04 0.96 0.53 0.40 -1.72 0.00 0.00 179.24 179.37 2wpq h ILE 492 N 0.58 1.05 -0.45 0.35 2.04 -0.68 -0.87 117.51 119.52 2wpq h ILE 492 Ca 0.10 -0.33 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 2wpq h ILE 492 Cb 0.63 -0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 2wpq h ILE 492 CO 0.04 0.18 0.22 0.74 0.00 0.00 0.00 178.15 179.33 2wpq h THR 493 N 0.97 1.18 -0.60 -0.27 2.02 -0.98 0.20 112.91 115.44 2wpq h THR 493 Ca 0.37 -0.51 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 2wpq h THR 493 Cb 0.16 0.68 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 2wpq h THR 493 CO -0.17 0.20 0.33 0.74 0.37 0.00 0.00 175.52 176.99 2wpq h THR 494 N 0.59 1.19 -0.56 3.16 2.02 -1.06 -2.17 112.91 116.08 2wpq h THR 494 Ca 0.16 -0.47 -0.08 0.00 0.77 0.00 0.00 66.41 66.79 2wpq h THR 494 Cb 0.11 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 2wpq h THR 494 CO -0.02 0.21 0.05 0.78 0.37 0.00 0.00 175.52 176.90 2wpq h ASN 495 N 0.81 0.93 -0.35 4.18 2.35 -0.72 -1.46 115.58 121.32 2wpq h ASN 495 Ca 0.21 -0.28 0.01 0.00 -0.55 0.00 0.00 56.30 55.68 2wpq h ASN 495 Cb 0.03 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 2wpq h ASN 495 CO -0.03 0.98 0.23 0.74 -1.65 0.00 0.00 177.43 177.70 2wpq h THR 496 N 0.85 1.08 -0.65 2.81 2.02 -0.42 0.38 112.91 118.99 2wpq h THR 496 Ca 0.17 -0.16 0.05 0.00 0.77 0.00 0.00 66.41 67.23 2wpq h THR 496 Cb 0.48 0.57 -0.05 0.00 -1.74 0.00 0.00 68.15 67.41 2wpq h THR 496 CO 0.02 0.09 0.37 0.78 0.37 0.00 0.00 175.52 177.15 2wpq h ASN 497 N 0.47 0.57 -0.28 4.18 2.35 -1.25 0.09 115.58 121.72 2wpq h ASN 497 Ca 0.13 0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.87 2wpq h ASN 497 Cb -0.05 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 2wpq h ASN 497 CO -0.03 0.38 0.04 0.28 -1.65 0.00 0.00 177.43 176.45 2wpq h SER 498 N 0.70 0.44 -0.79 5.81 0.02 -0.63 -0.19 113.55 118.92 2wpq h SER 498 Ca 0.28 -0.26 0.04 0.00 -0.84 0.00 0.00 61.79 61.02 2wpq h SER 498 Cb 0.14 -0.12 -0.05 0.00 0.14 0.00 0.00 62.40 62.51 2wpq h SER 498 CO -0.16 0.59 0.49 0.40 -1.14 0.00 0.00 176.83 177.01 2wpq h ILE 499 N 0.27 1.08 -0.35 3.27 2.04 -0.03 -0.04 117.51 123.76 2wpq h ILE 499 Ca 0.08 -0.32 -0.02 0.00 1.00 0.00 0.00 64.86 65.60 2wpq h ILE 499 Cb 0.34 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.46 2wpq h ILE 499 CO 0.01 0.17 0.13 0.78 0.00 0.00 0.00 178.15 179.24 2wpq h ASN 500 N 0.94 0.49 -0.30 1.72 2.35 -0.66 0.32 115.58 120.43 2wpq h ASN 500 Ca 0.33 -0.18 0.04 0.00 -0.55 0.00 0.00 56.30 55.94 2wpq h ASN 500 Cb 0.08 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.29 2wpq h ASN 500 CO -0.14 0.53 0.08 -0.61 -1.65 0.00 0.00 177.43 175.65 2wpq h GLN 501 N 0.41 0.19 -0.67 0.81 5.75 -0.57 -2.62 115.11 118.42 2wpq h GLN 501 Ca 0.11 -0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.57 2wpq h GLN 501 Cb 0.20 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.68 2wpq h GLN 501 CO -0.01 0.13 0.29 -0.91 -2.65 0.00 0.00 178.83 175.68 2wpq h ASN 502 N 0.20 0.90 -0.68 -0.69 2.35 -0.70 -0.91 115.58 116.05 2wpq h ASN 502 Ca 0.14 -0.15 0.03 0.00 -0.55 0.00 0.00 56.30 55.76 2wpq h ASN 502 Cb 0.13 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.22 2wpq h ASN 502 CO -0.16 0.81 0.42 0.74 -1.65 0.00 0.00 177.43 177.59 2wpq h THR 503 N 0.93 1.08 -0.03 2.81 2.02 -0.81 0.13 112.91 119.05 2wpq h THR 503 Ca 0.23 -0.28 -0.00 0.00 0.77 0.00 0.00 66.41 67.12 2wpq h THR 503 Cb 0.17 0.19 -0.00 0.00 -1.74 0.00 0.00 68.15 66.76 2wpq h THR 503 CO -0.02 0.15 0.01 0.74 0.37 0.00 0.00 175.52 176.77 2wpq h THR 504 N 0.82 1.13 -0.84 3.16 2.02 -1.02 -1.72 112.91 116.47 2wpq h THR 504 Ca 0.28 -0.38 0.03 0.00 0.77 0.00 0.00 66.41 67.11 2wpq h THR 504 Cb 0.03 1.33 -0.05 0.00 -1.74 0.00 0.00 68.15 67.72 2wpq h THR 504 CO -0.11 0.10 0.55 0.44 0.37 0.00 0.00 175.52 176.87 2wpq h ASP 505 N -0.10 0.91 -0.53 4.18 3.32 -0.80 -0.69 116.42 122.70 2wpq h ASP 505 Ca 0.01 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 2wpq h ASP 505 Cb 0.16 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 2wpq h ASP 505 CO -0.00 0.64 0.06 0.40 -1.72 0.00 0.00 179.24 178.61 2wpq h ILE 506 N 1.06 1.26 -0.23 0.35 2.04 -0.60 -1.10 117.51 120.28 2wpq h ILE 506 Ca 0.33 -1.01 0.04 0.00 1.00 0.00 0.00 64.86 65.22 2wpq h ILE 506 Cb -0.01 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 36.90 2wpq h ILE 506 CO -0.09 0.36 -0.00 0.00 0.00 0.00 0.00 178.15 178.42 2wpq h ALA 507 N 0.97 0.20 -0.22 1.87 0.00 -0.48 0.14 119.26 121.73 2wpq h ALA 507 Ca 0.16 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.15 2wpq h ALA 507 Cb 0.45 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 2wpq h ALA 507 CO 0.02 -0.43 0.10 1.15 0.00 0.00 0.00 179.25 180.09 2wpq h THR 508 N 0.07 0.97 -0.63 0.00 2.02 -1.05 -1.99 112.91 112.30 2wpq h THR 508 Ca 0.11 -0.07 -0.02 0.00 0.77 0.00 0.00 66.41 67.20 2wpq h THR 508 Cb 0.14 0.74 -0.03 0.00 -1.74 0.00 0.00 68.15 67.26 2wpq h THR 508 CO -0.19 0.04 0.31 0.78 0.37 0.00 0.00 175.52 176.83 2wpq h ASN 509 N 0.21 0.80 -0.40 4.18 2.35 -0.84 -1.02 115.58 120.86 2wpq h ASN 509 Ca 0.09 -0.08 -0.11 0.00 -0.55 0.00 0.00 56.30 55.66 2wpq h ASN 509 Cb 0.04 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.19 2wpq h ASN 509 CO -0.08 0.67 -0.15 0.74 -1.65 0.00 0.00 177.43 176.97 2wpq h THR 510 N 0.89 1.27 -0.32 2.81 2.02 -0.41 0.89 112.91 120.05 2wpq h THR 510 Ca 0.22 -1.26 -0.06 0.00 0.77 0.00 0.00 66.41 66.08 2wpq h THR 510 Cb 0.08 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 2wpq h THR 510 CO -0.03 0.43 -0.04 0.74 0.37 0.00 0.00 175.52 176.99 2wpq h THR 511 N 0.77 1.27 -0.70 3.16 2.02 -0.92 -1.47 112.91 117.04 2wpq h THR 511 Ca 0.12 -1.05 -0.07 0.00 0.77 0.00 0.00 66.41 66.18 2wpq h THR 511 Cb 0.67 1.31 -0.03 0.00 -1.74 0.00 0.00 68.15 68.36 2wpq h THR 511 CO 0.05 0.34 0.17 0.78 0.37 0.00 0.00 175.52 177.23 2wpq h ASN 512 N 0.38 1.06 -0.29 4.18 2.35 -0.88 -0.91 115.58 121.47 2wpq h ASN 512 Ca 0.09 -0.22 -0.00 0.00 -0.55 0.00 0.00 56.30 55.61 2wpq h ASN 512 Cb 0.51 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 2wpq h ASN 512 CO 0.02 1.01 0.16 0.40 -1.65 0.00 0.00 177.43 177.38 2wpq h ILE 513 N 1.06 1.12 -0.62 2.81 2.04 -0.73 -0.14 117.51 123.06 2wpq h ILE 513 Ca 0.22 -0.31 0.02 0.00 1.00 0.00 0.00 64.86 65.80 2wpq h ILE 513 Cb 0.36 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 37.20 2wpq h ILE 513 CO 0.00 0.12 0.38 0.78 0.00 0.00 0.00 178.15 179.43 2wpq h ASN 514 N 0.36 0.63 -0.73 1.72 2.35 -1.02 0.16 115.58 119.06 2wpq h ASN 514 Ca 0.10 -0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.83 2wpq h ASN 514 Cb 0.05 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.25 2wpq h ASN 514 CO -0.02 0.44 0.35 0.78 -1.65 0.00 0.00 177.43 177.34 2wpq h ASN 515 N 0.76 0.95 -0.54 5.81 2.35 -0.89 -0.63 115.58 123.38 2wpq h ASN 515 Ca 0.24 -0.13 -0.09 0.00 -0.55 0.00 0.00 56.30 55.77 2wpq h ASN 515 Cb 0.00 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.11 2wpq h ASN 515 CO -0.09 0.81 -0.00 -0.07 -1.65 0.00 0.00 177.43 176.43 2wpq h LEU 516 N 1.02 0.94 -0.90 1.61 3.38 -0.53 -1.29 115.31 119.55 2wpq h LEU 516 Ca 0.25 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 2wpq h LEU 516 Cb 0.12 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 2wpq h LEU 516 CO -0.03 1.02 0.43 -1.28 0.09 0.00 0.00 178.44 178.67 2wpq h SER 517 N 0.84 1.10 -0.38 -0.43 0.87 -0.41 0.22 113.55 115.36 2wpq h SER 517 Ca 0.15 -0.12 -0.10 0.00 -1.23 0.00 0.00 61.79 60.49 2wpq h SER 517 Cb 0.54 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.20 2wpq h SER 517 CO 0.03 0.91 -0.15 0.44 -0.53 0.00 0.00 176.83 177.53 2wpq h ASP 518 N 1.22 0.79 -0.74 6.23 3.32 -0.98 -1.88 116.42 124.37 2wpq h ASP 518 Ca 0.30 -0.39 -0.03 0.00 0.02 0.00 0.00 57.03 56.92 2wpq h ASP 518 Cb 0.09 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.39 2wpq h ASP 518 CO -0.04 1.00 0.33 0.28 -1.72 0.00 0.00 179.24 179.10 2wpq h SER 519 N 0.57 0.99 -0.96 6.45 0.02 -0.94 -2.65 113.55 117.05 2wpq h SER 519 Ca 0.09 -0.15 0.01 0.00 -0.84 0.00 0.00 61.79 60.90 2wpq h SER 519 Cb 0.69 -0.26 -0.05 0.00 0.14 0.00 0.00 62.40 62.93 2wpq h SER 519 CO 0.05 0.87 0.64 -0.03 -1.14 0.00 0.00 176.83 177.21 2wpq h MET 520 N 1.05 1.26 -0.79 3.45 1.85 -0.47 -0.19 114.93 121.10 2wpq h MET 520 Ca 0.25 -0.08 -0.04 0.00 -0.61 0.00 0.00 59.70 59.22 2wpq h MET 520 Cb 0.16 -0.28 -0.04 0.00 0.43 0.00 0.00 31.60 31.87 2wpq h MET 520 CO -0.03 0.83 0.33 -0.22 -0.40 0.00 0.00 176.91 177.42 2wpq h LYS 521 N 1.30 1.17 -0.23 0.39 3.11 -1.12 -0.26 116.57 120.93 2wpq h LYS 521 Ca 0.35 -0.21 -0.02 0.00 -2.81 0.00 0.00 60.65 57.97 2wpq h LYS 521 Cb -0.15 -0.19 -0.01 0.00 -1.00 0.00 0.00 32.23 30.88 2wpq h LYS 521 CO -0.08 0.94 0.07 1.96 -2.81 0.00 0.00 179.45 179.54 2wpq h GLN 522 N 1.14 0.36 -0.88 1.90 4.20 -1.05 -2.03 115.11 118.74 2wpq h GLN 522 Ca 0.26 -0.08 0.07 0.00 0.06 0.00 0.00 58.65 58.97 2wpq h GLN 522 Cb 0.20 -0.05 -0.07 0.00 0.30 0.00 0.00 27.48 27.86 2wpq h GLN 522 CO -0.02 0.45 0.55 0.82 -0.67 0.00 0.00 178.83 179.95 2wpq h ILE 523 N 0.20 1.02 -0.48 2.54 2.04 -0.76 -0.07 117.51 122.00 2wpq h ILE 523 Ca 0.07 -0.33 -0.13 0.00 1.00 0.00 0.00 64.86 65.47 2wpq h ILE 523 Cb 0.24 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.26 2wpq h ILE 523 CO -0.00 0.18 -0.20 -0.33 0.00 0.00 0.00 178.15 177.79 2wpq h GLU 524 N 0.97 0.97 -0.41 2.37 5.08 -0.87 -0.31 114.58 122.39 2wpq h GLU 524 Ca 0.39 -0.40 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2wpq h GLU 524 Cb 0.22 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 2wpq h GLU 524 CO -0.19 1.08 0.26 -0.44 -1.00 0.00 0.00 179.01 178.71 2wpq h ASP 525 N 0.84 0.44 -0.28 1.42 3.32 -1.06 -1.34 116.42 119.76 2wpq h ASP 525 Ca 0.11 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.11 2wpq h ASP 525 Cb 0.77 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.20 2wpq h ASP 525 CO 0.06 0.32 0.05 0.11 -1.72 0.00 0.00 179.24 178.06 2wpq h LYS 526 N 0.53 0.57 -0.38 3.56 1.79 -0.59 -1.30 116.57 120.74 2wpq h LYS 526 Ca 0.15 -0.11 -0.12 0.00 -2.18 0.00 0.00 60.65 58.40 2wpq h LYS 526 Cb -0.04 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.51 2wpq h LYS 526 CO -0.05 0.55 -0.25 0.82 -1.08 0.00 0.00 179.45 179.45 2wpq h ILE 527 N 0.55 1.27 0.40 1.86 1.08 -0.88 0.51 117.51 122.30 2wpq h ILE 527 Ca 0.12 -1.37 -0.01 0.00 -0.39 0.00 0.00 64.86 63.21 2wpq h ILE 527 Cb 0.27 1.25 -0.02 0.00 -3.07 0.00 0.00 36.82 35.25 2wpq h ILE 527 CO 0.00 0.46 -0.35 -0.08 -0.69 0.00 0.00 178.15 177.49 2wpq h GLU 528 N 0.67 -0.74 -0.61 2.37 4.81 -0.69 -0.14 114.58 120.26 2wpq h GLU 528 Ca 0.09 0.05 0.11 0.00 -0.13 0.00 0.00 59.36 59.48 2wpq h GLU 528 Cb 0.77 0.17 -0.08 0.00 0.63 0.00 0.00 28.75 30.23 2wpq h GLU 528 CO 0.06 -0.49 0.16 1.49 -0.73 0.00 0.00 179.01 179.50 2wpq h GLU 529 N -0.76 0.30 -0.47 1.92 4.81 -1.14 -1.97 114.58 117.26 2wpq h GLU 529 Ca -0.03 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2wpq h GLU 529 Cb 0.67 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 2wpq h GLU 529 CO -0.04 0.20 0.30 0.82 -0.73 0.00 0.00 179.01 179.56 2wpq h ILE 530 N 0.31 1.12 -0.58 2.32 2.04 -0.63 -1.60 117.51 120.48 2wpq h ILE 530 Ca 0.32 -0.24 -0.07 0.00 1.00 0.00 0.00 64.86 65.88 2wpq h ILE 530 Cb 0.46 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 2wpq h ILE 530 CO -0.38 0.12 0.10 -0.07 0.00 0.00 0.00 178.15 177.92 2wpq h LEU 531 N 0.63 0.88 -0.57 1.44 3.38 -0.53 0.04 115.31 120.58 2wpq h LEU 531 Ca 0.17 -0.19 -0.15 0.00 0.09 0.00 0.00 57.88 57.80 2wpq h LEU 531 Cb -0.06 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 2wpq h LEU 531 CO -0.04 0.89 -0.48 0.28 0.09 0.00 0.00 178.44 179.18 2wpq h SER 532 N 0.88 0.64 -0.25 -0.43 0.02 -1.21 -0.71 113.55 112.49 2wpq h SER 532 Ca 0.18 -0.32 -0.02 0.00 -0.84 0.00 0.00 61.79 60.79 2wpq h SER 532 Cb 0.38 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 2wpq h SER 532 CO 0.01 1.02 0.07 0.11 -1.14 0.00 0.00 176.83 176.89 2wpq h LYS 533 N 0.47 0.40 -0.25 3.45 1.57 -0.96 -1.33 116.57 119.92 2wpq h LYS 533 Ca 0.02 -0.09 0.02 0.00 -1.87 0.00 0.00 60.65 58.73 2wpq h LYS 533 Cb 1.01 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.24 2wpq h LYS 533 CO 0.09 0.49 0.09 0.82 -0.57 0.00 0.00 179.45 180.38 2wpq h ILE 534 N 0.23 0.95 -0.73 1.86 2.04 -0.91 0.55 117.51 121.50 2wpq h ILE 534 Ca 0.08 -0.07 0.05 0.00 1.00 0.00 0.00 64.86 65.92 2wpq h ILE 534 Cb 0.27 0.72 -0.05 0.00 -0.74 0.00 0.00 36.82 37.02 2wpq h ILE 534 CO -0.00 0.04 0.44 0.22 0.00 0.00 0.00 178.15 178.85 2wpq h TYR 535 N 0.21 0.82 -0.42 1.37 3.20 -1.04 0.14 116.97 121.25 2wpq h TYR 535 Ca 0.11 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.00 2wpq h TYR 535 Cb 0.07 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.06 2wpq h TYR 535 CO -0.12 0.43 0.25 1.25 -1.64 0.00 0.00 178.16 178.33 2wpq h HIS 536 N 0.83 0.56 -0.26 -3.82 2.76 -0.82 -2.11 115.15 112.29 2wpq h HIS 536 Ca 0.31 -0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.50 2wpq h HIS 536 Cb 0.12 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 28.87 2wpq h HIS 536 CO -0.05 0.40 0.12 0.82 -1.30 0.00 0.00 177.93 177.92 2wpq h ILE 537 N 0.56 0.98 -0.88 6.26 2.04 0.17 -0.31 117.51 126.32 2wpq h ILE 537 Ca 0.15 -0.09 0.07 0.00 1.00 0.00 0.00 64.86 65.99 2wpq h ILE 537 Cb 0.01 0.69 -0.06 0.00 -0.74 0.00 0.00 36.82 36.72 2wpq h ILE 537 CO -0.03 0.05 0.55 -0.33 0.00 0.00 0.00 178.15 178.39 2wpq h GLU 538 N 0.26 0.95 -0.36 2.37 5.08 -0.57 0.21 114.58 122.52 2wpq h GLU 538 Ca 0.11 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 2wpq h GLU 538 Cb 0.05 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 2wpq h GLU 538 CO -0.09 0.63 0.16 -0.91 -1.00 0.00 0.00 179.01 177.80 2wpq h ASN 539 N 0.98 0.48 -0.38 1.42 2.35 -0.77 -0.83 115.58 118.82 2wpq h ASN 539 Ca 0.39 -0.15 0.01 0.00 -0.55 0.00 0.00 56.30 56.00 2wpq h ASN 539 Cb 0.21 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 2wpq h ASN 539 CO -0.19 0.50 0.24 -0.33 -1.65 0.00 0.00 177.43 176.00 2wpq h GLU 540 N 0.43 0.48 -0.13 0.81 4.39 -0.05 -1.71 114.58 118.80 2wpq h GLU 540 Ca 0.12 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.80 2wpq h GLU 540 Cb 0.16 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 2wpq h GLU 540 CO -0.01 0.32 0.04 0.82 -1.16 0.00 0.00 179.01 179.01 2wpq h ILE 541 N 0.49 0.96 -0.90 3.13 2.04 -0.47 -1.24 117.51 121.53 2wpq h ILE 541 Ca 0.14 -0.03 0.09 0.00 1.00 0.00 0.00 64.86 66.06 2wpq h ILE 541 Cb -0.04 0.85 -0.06 0.00 -0.74 0.00 0.00 36.82 36.83 2wpq h ILE 541 CO -0.04 0.02 0.58 0.00 0.00 0.00 0.00 178.15 178.71 2wpq h ALA 542 N 1.08 1.61 -0.20 1.87 0.00 -0.94 -0.94 119.26 121.74 2wpq h ALA 542 Ca 0.06 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2wpq h ALA 542 Cb 0.04 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2wpq h ALA 542 CO -0.06 0.21 0.01 0.00 0.00 0.00 0.00 179.25 179.41 2wpq h ARG 543 N 0.91 0.34 -0.93 0.00 3.08 -0.94 -3.07 114.38 113.77 2wpq h ARG 543 Ca 0.41 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.35 2wpq h ARG 543 Cb 0.38 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.35 2wpq h ARG 543 CO -0.18 0.53 0.55 0.82 -1.07 0.00 0.00 179.97 180.63 2wpq h ILE 544 N 0.11 1.26 -0.27 2.04 2.04 -0.53 -1.76 117.51 120.40 2wpq h ILE 544 Ca 0.06 -0.58 0.02 0.00 1.00 0.00 0.00 64.86 65.35 2wpq h ILE 544 Cb 0.37 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.39 2wpq h ILE 544 CO 0.01 0.28 0.18 0.11 0.00 0.00 0.00 178.15 178.73 2wpq h LYS 545 N 1.29 0.27 0.00 2.37 1.57 -1.19 -1.08 116.57 119.80 2wpq h LYS 545 Ca 0.33 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 59.02 2wpq h LYS 545 Cb -0.03 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 2wpq h LYS 545 CO -0.06 0.18 -0.36 0.87 -0.57 0.00 0.00 179.45 179.51 2wpq h LYS 546 N 0.28 0.00 0.00 3.15 1.57 -1.23 -3.22 116.57 117.12 2wpq h LYS 546 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2wpq h LYS 546 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 2wpq h LYS 546 CO -0.02 0.36 -0.38 1.28 -0.57 0.00 0.00 179.45 180.12 2wpq n LEU 547 N -3.40 0.39 -0.21 2.94 4.32 -0.43 -5.13 117.00 115.47 2wpq n LEU 547 Ca 0.01 0.15 0.03 0.00 -0.02 0.00 0.00 56.01 56.17 2wpq n LEU 547 Cb 0.54 -0.31 0.02 0.00 -1.62 0.00 0.00 43.42 42.06 2wpq n LEU 547 CO 0.37 0.08 0.33 2.30 -1.22 0.00 0.00 177.39 179.25