#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 0.04 -0.48 2.12 3.11 -2.05 -2.29 116.57 117.02 2wpq h LYS 451 Ca 0.00 -0.05 -0.09 0.00 -2.81 0.00 0.00 60.65 57.70 2wpq h LYS 451 Cb 0.00 0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 31.23 2wpq h LYS 451 CO 0.00 0.88 -0.05 0.37 -2.81 0.00 0.00 179.45 177.84 2wpq h GLN 452 N 0.02 0.89 -0.94 1.90 4.15 -2.05 -1.51 115.11 117.56 2wpq h GLN 452 Ca -0.02 -0.31 0.02 0.00 0.77 0.00 0.00 58.65 59.12 2wpq h GLN 452 Cb 1.52 -0.07 -0.05 0.00 0.21 0.00 0.00 27.48 29.09 2wpq h GLN 452 CO 0.12 0.95 0.62 0.82 -1.93 0.00 0.00 178.83 179.41 2wpq h ILE 453 N 0.74 1.20 -0.17 2.39 1.08 -1.98 0.12 117.51 120.89 2wpq h ILE 453 Ca 0.13 -0.42 -0.05 0.00 -0.39 0.00 0.00 64.86 64.12 2wpq h ILE 453 Cb 0.58 -0.14 -0.00 0.00 -3.07 0.00 0.00 36.82 34.19 2wpq h ILE 453 CO 0.04 0.22 -0.11 -0.33 -0.69 0.00 0.00 178.15 177.28 2wpq h GLU 454 N 1.23 0.38 -0.82 2.37 5.08 -1.33 -1.18 114.58 120.31 2wpq h GLU 454 Ca 0.36 -0.17 0.15 0.00 -1.00 0.00 0.00 59.36 58.69 2wpq h GLU 454 Cb -0.07 -0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.08 2wpq h GLU 454 CO -0.10 0.70 0.39 0.22 -1.00 0.00 0.00 179.01 179.22 2wpq h ASP 455 N 0.05 0.43 -0.32 1.42 3.58 -0.86 -1.56 116.42 119.17 2wpq h ASP 455 Ca 0.04 0.10 -0.16 0.00 0.42 0.00 0.00 57.03 57.42 2wpq h ASP 455 Cb 0.60 0.04 -0.00 0.00 1.72 0.00 0.00 39.33 41.69 2wpq h ASP 455 CO 0.03 0.16 -0.44 0.50 -2.88 0.00 0.00 179.24 176.62 2wpq h LYS 456 N 0.54 0.86 -0.63 0.28 1.63 -0.40 0.86 116.57 119.72 2wpq h LYS 456 Ca 0.45 -0.50 -0.08 0.00 -0.85 0.00 0.00 60.65 59.67 2wpq h LYS 456 Cb 0.67 0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.32 2wpq h LYS 456 CO -0.39 1.14 0.06 0.82 -3.45 0.00 0.00 179.45 177.63 2wpq h ILE 457 N 0.65 1.26 -0.52 2.00 2.04 -1.05 0.53 117.51 122.43 2wpq h ILE 457 Ca 0.04 -1.07 -0.10 0.00 1.00 0.00 0.00 64.86 64.72 2wpq h ILE 457 Cb 1.04 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.81 2wpq h ILE 457 CO 0.10 0.40 -0.08 -0.33 0.00 0.00 0.00 178.15 178.24 2wpq h GLU 458 N 0.98 0.96 -0.32 2.37 3.07 -1.05 0.14 114.58 120.73 2wpq h GLU 458 Ca 0.19 -0.35 0.07 0.00 -0.50 0.00 0.00 59.36 58.77 2wpq h GLU 458 Cb 0.48 -0.07 -0.07 0.00 -0.84 0.00 0.00 28.75 28.25 2wpq h GLU 458 CO 0.02 1.02 -0.14 1.49 -1.40 0.00 0.00 179.01 180.00 2wpq h GLU 459 N 0.83 -0.08 -0.39 2.33 4.81 -0.62 -1.35 114.58 120.11 2wpq h GLU 459 Ca 0.14 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 2wpq h GLU 459 Cb 0.63 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.01 2wpq h GLU 459 CO 0.04 -0.05 0.18 0.82 -0.73 0.00 0.00 179.01 179.27 2wpq h ILE 460 N -0.08 1.18 -0.50 2.32 2.04 -0.48 -1.81 117.51 120.18 2wpq h ILE 460 Ca 0.16 -0.51 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 2wpq h ILE 460 Cb 0.33 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 2wpq h ILE 460 CO -0.37 0.19 0.25 -0.07 0.00 0.00 0.00 178.15 178.14 2wpq h LEU 461 N 0.50 0.61 -0.10 1.44 3.38 -0.47 -0.41 115.31 120.26 2wpq h LEU 461 Ca 0.13 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 2wpq h LEU 461 Cb 0.13 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 2wpq h LEU 461 CO -0.02 0.52 -0.07 0.28 0.09 0.00 0.00 178.44 179.25 2wpq h SER 462 N 0.69 0.22 -0.99 -0.43 0.02 -0.91 -1.30 113.55 110.85 2wpq h SER 462 Ca 0.17 -0.45 0.06 0.00 -0.84 0.00 0.00 61.79 60.74 2wpq h SER 462 Cb 0.06 -0.06 -0.07 0.00 0.14 0.00 0.00 62.40 62.47 2wpq h SER 462 CO -0.03 0.62 0.64 0.50 -1.14 0.00 0.00 176.83 177.42 2wpq h LYS 463 N -0.17 1.14 -0.62 3.45 3.64 -1.07 -0.66 116.57 122.28 2wpq h LYS 463 Ca 0.02 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.24 2wpq h LYS 463 Cb 0.55 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 2wpq h LYS 463 CO 0.02 0.75 0.03 0.82 -2.27 0.00 0.00 179.45 178.80 2wpq h ILE 464 N 1.17 1.26 -0.40 2.00 2.04 -0.98 -0.02 117.51 122.59 2wpq h ILE 464 Ca 0.42 -1.12 0.04 0.00 1.00 0.00 0.00 64.86 65.20 2wpq h ILE 464 Cb 0.14 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 36.94 2wpq h ILE 464 CO -0.17 0.41 0.17 0.22 0.00 0.00 0.00 178.15 178.78 2wpq h TYR 465 N 0.98 0.30 -0.25 1.37 3.20 -0.64 -0.20 116.97 121.74 2wpq h TYR 465 Ca 0.18 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.97 2wpq h TYR 465 Cb 0.52 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.70 2wpq h TYR 465 CO 0.04 0.14 -0.27 0.45 -1.64 0.00 0.00 178.16 176.87 2wpq h HIS 466 N 0.35 0.56 -0.45 -3.82 3.86 -0.89 -2.30 115.15 112.46 2wpq h HIS 466 Ca 0.18 -0.12 -0.09 0.00 -1.16 0.00 0.00 60.37 59.18 2wpq h HIS 466 Cb 0.13 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.45 2wpq h HIS 466 CO -0.13 0.72 -0.06 0.82 0.86 0.00 0.00 177.93 180.14 2wpq h ILE 467 N 0.43 1.27 -0.74 2.45 2.04 -0.66 -1.67 117.51 120.63 2wpq h ILE 467 Ca 0.06 -1.15 0.02 0.00 1.00 0.00 0.00 64.86 64.79 2wpq h ILE 467 Cb 0.70 1.10 -0.04 0.00 -0.74 0.00 0.00 36.82 37.84 2wpq h ILE 467 CO 0.05 0.39 0.47 -0.33 0.00 0.00 0.00 178.15 178.74 2wpq h GLU 468 N 0.67 0.92 -0.65 2.37 5.08 -0.78 0.28 114.58 122.47 2wpq h GLU 468 Ca 0.12 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.37 2wpq h GLU 468 Cb 0.58 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 2wpq h GLU 468 CO 0.04 0.61 0.19 -0.91 -1.00 0.00 0.00 179.01 177.93 2wpq h ASN 469 N 0.95 0.97 -0.68 1.42 2.35 -1.29 -1.25 115.58 118.04 2wpq h ASN 469 Ca 0.28 -0.22 -0.02 0.00 -0.55 0.00 0.00 56.30 55.80 2wpq h ASN 469 Cb -0.04 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.05 2wpq h ASN 469 CO -0.09 0.93 0.35 -0.08 -1.65 0.00 0.00 177.43 176.89 2wpq h GLU 470 N 0.95 0.96 0.07 0.81 4.57 -0.85 0.24 114.58 121.34 2wpq h GLU 470 Ca 0.21 -0.12 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 2wpq h GLU 470 Cb 0.32 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.72 2wpq h GLU 470 CO -0.00 0.73 -0.08 0.82 -1.18 0.00 0.00 179.01 179.29 2wpq h ILE 471 N 0.93 0.80 -0.73 2.32 2.04 -0.71 0.13 117.51 122.29 2wpq h ILE 471 Ca 0.24 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.19 2wpq h ILE 471 Cb 0.07 0.80 -0.07 0.00 -0.74 0.00 0.00 36.82 36.88 2wpq h ILE 471 CO -0.03 0.00 0.37 0.00 0.00 0.00 0.00 178.15 178.48 2wpq h ALA 472 N 0.73 1.02 -0.72 1.87 0.00 -0.87 -0.23 119.26 121.07 2wpq h ALA 472 Ca 0.01 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2wpq h ALA 472 Cb 0.18 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2wpq h ALA 472 CO -0.03 -0.04 0.35 0.00 0.00 0.00 0.00 179.25 179.52 2wpq h ARG 473 N 0.61 1.04 -0.59 0.00 3.08 -0.65 -2.26 114.38 115.62 2wpq h ARG 473 Ca 0.36 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 60.27 2wpq h ARG 473 Cb 0.40 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 2wpq h ARG 473 CO -0.28 0.81 0.38 0.82 -1.07 0.00 0.00 179.97 180.64 2wpq h ILE 474 N 1.01 1.16 -0.71 2.04 2.04 0.23 -1.33 117.51 121.95 2wpq h ILE 474 Ca 0.25 -0.31 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 2wpq h ILE 474 Cb 0.11 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 36.47 2wpq h ILE 474 CO -0.03 0.16 0.38 0.11 0.00 0.00 0.00 178.15 178.76 2wpq h LYS 475 N 0.80 1.00 -0.06 2.37 1.57 -0.86 -1.16 116.57 120.23 2wpq h LYS 475 Ca 0.21 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2wpq h LYS 475 Cb -0.07 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.04 2wpq h LYS 475 CO -0.04 0.76 0.04 -0.22 -0.57 0.00 0.00 179.45 179.41 2wpq h LYS 476 N 0.98 0.08 -0.65 3.15 3.64 -1.09 -0.70 116.57 121.99 2wpq h LYS 476 Ca 0.25 -0.01 0.14 0.00 -1.27 0.00 0.00 60.65 59.76 2wpq h LYS 476 Cb 0.06 -0.02 -0.11 0.00 -0.41 0.00 0.00 32.23 31.75 2wpq h LYS 476 CO -0.04 0.08 -0.00 -0.07 -2.27 0.00 0.00 179.45 177.15 2wpq h LEU 477 N 0.06 -0.30 -0.47 5.20 3.38 -0.89 0.66 115.31 122.95 2wpq h LEU 477 Ca 0.02 0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 2wpq h LEU 477 Cb 0.02 0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 2wpq h LEU 477 CO -0.00 -0.13 0.28 0.40 0.09 0.00 0.00 178.44 179.08 2wpq h ILE 478 N 0.11 1.15 -0.33 1.22 2.04 -0.63 0.27 117.51 121.34 2wpq h ILE 478 Ca 0.34 -0.34 -0.14 0.00 1.00 0.00 0.00 64.86 65.72 2wpq h ILE 478 Cb 0.56 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 2wpq h ILE 478 CO -0.56 0.15 -0.35 -0.26 0.00 0.00 0.00 178.15 177.14 2wpq h PHE 479 N 0.63 0.86 -0.73 1.37 0.04 -0.45 -1.19 116.94 117.48 2wpq h PHE 479 Ca 0.17 -0.24 -0.06 0.00 2.80 0.00 0.00 57.97 60.64 2wpq h PHE 479 Cb 0.00 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 37.93 2wpq h PHE 479 CO -0.03 0.98 0.21 -0.44 -0.60 0.00 0.00 178.31 178.43 2wpq h ASP 480 N 0.62 1.08 -0.45 2.17 5.19 -0.65 -1.60 116.42 122.77 2wpq h ASP 480 Ca 0.06 -0.21 0.02 0.00 -0.62 0.00 0.00 57.03 56.28 2wpq h ASP 480 Cb 0.88 -0.28 -0.03 0.00 0.18 0.00 0.00 39.33 40.07 2wpq h ASP 480 CO 0.08 1.01 0.26 0.74 -3.12 0.00 0.00 179.24 178.21 2wpq h THR 481 N 1.09 1.03 0.00 0.35 2.02 -0.25 -2.66 112.91 114.50 2wpq h THR 481 Ca 0.23 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 67.21 2wpq h THR 481 Cb 0.33 0.46 -0.00 0.00 -1.74 0.00 0.00 68.15 67.20 2wpq h THR 481 CO -0.00 0.10 -0.09 0.78 0.37 0.00 0.00 175.52 176.67 2wpq h ASN 482 N 0.52 0.00 -0.41 4.18 2.35 -0.79 -0.87 115.58 120.56 2wpq h ASN 482 Ca 0.18 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.85 2wpq h ASN 482 Cb 0.03 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 2wpq h ASN 482 CO -0.09 0.09 -0.05 -0.33 -1.65 0.00 0.00 177.43 175.40 2wpq h GLU 483 N 0.00 0.76 -0.48 0.81 5.08 -0.95 0.43 114.58 120.23 2wpq h GLU 483 Ca -0.00 -0.27 -0.05 0.00 -1.00 0.00 0.00 59.36 58.04 2wpq h GLU 483 Cb 0.52 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 2wpq h GLU 483 CO 0.01 0.87 0.11 0.87 -1.00 0.00 0.00 179.01 179.87 2wpq h LYS 484 N 0.59 0.78 -0.42 2.33 1.57 -1.12 -1.67 116.57 118.62 2wpq h LYS 484 Ca 0.11 -0.19 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 2wpq h LYS 484 Cb 0.56 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 2wpq h LYS 484 CO 0.03 0.77 0.17 0.28 -0.57 0.00 0.00 179.45 180.13 2wpq h VAL 485 N 0.66 1.20 -0.19 0.50 2.07 -1.09 0.12 116.25 119.51 2wpq h VAL 485 Ca 0.15 -0.63 -0.11 0.00 0.82 0.00 0.00 66.70 66.93 2wpq h VAL 485 Cb 0.35 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 2wpq h VAL 485 CO 0.00 0.23 -0.36 0.44 0.02 0.00 0.00 177.57 177.91 2wpq h ASP 486 N 0.54 0.43 -0.40 0.57 3.32 -0.86 -0.11 116.42 119.91 2wpq h ASP 486 Ca 0.14 -0.17 -0.06 0.00 0.02 0.00 0.00 57.03 56.96 2wpq h ASP 486 Cb 0.20 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 2wpq h ASP 486 CO -0.01 0.76 -0.00 -0.61 -1.72 0.00 0.00 179.24 177.66 2wpq h GLN 487 N 0.35 0.71 -0.37 3.56 5.75 -1.08 -0.62 115.11 123.41 2wpq h GLN 487 Ca 0.04 -0.23 0.05 0.00 -0.15 0.00 0.00 58.65 58.36 2wpq h GLN 487 Cb 0.79 -0.06 -0.04 0.00 1.07 0.00 0.00 27.48 29.24 2wpq h GLN 487 CO 0.06 0.80 0.12 -0.91 -2.65 0.00 0.00 178.83 176.25 2wpq h ASN 488 N 0.54 0.12 -0.58 -0.69 2.35 -0.70 0.81 115.58 117.44 2wpq h ASN 488 Ca 0.11 0.04 0.08 0.00 -0.55 0.00 0.00 56.30 55.98 2wpq h ASN 488 Cb 0.48 0.03 -0.06 0.00 0.05 0.00 0.00 38.32 38.82 2wpq h ASN 488 CO 0.02 0.11 0.24 0.74 -1.65 0.00 0.00 177.43 176.88 2wpq h THR 489 N 0.27 0.83 -0.64 2.81 2.02 -0.78 0.30 112.91 117.72 2wpq h THR 489 Ca 0.17 -0.15 -0.03 0.00 0.77 0.00 0.00 66.41 67.17 2wpq h THR 489 Cb 0.16 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 66.89 2wpq h THR 489 CO -0.18 0.08 0.28 0.00 0.37 0.00 0.00 175.52 176.07 2wpq h ALA 490 N 1.37 0.82 -0.46 6.16 0.00 -0.32 -1.44 119.26 125.39 2wpq h ALA 490 Ca 0.28 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 2wpq h ALA 490 Cb 0.30 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2wpq h ALA 490 CO -0.26 0.41 -0.21 -0.44 0.00 0.00 0.00 179.25 178.76 2wpq h ASP 491 N 0.88 0.94 -0.60 0.00 3.32 -0.29 -1.91 116.42 118.77 2wpq h ASP 491 Ca 0.22 -0.35 0.00 0.00 0.02 0.00 0.00 57.03 56.92 2wpq h ASP 491 Cb 0.16 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 2wpq h ASP 491 CO -0.02 1.12 0.38 0.40 -1.72 0.00 0.00 179.24 179.39 2wpq h ILE 492 N 0.80 1.16 -0.29 0.35 2.04 -0.19 -0.90 117.51 120.49 2wpq h ILE 492 Ca 0.11 -0.33 -0.00 0.00 1.00 0.00 0.00 64.86 65.64 2wpq h ILE 492 Cb 0.76 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 2wpq h ILE 492 CO 0.06 0.16 0.18 0.74 0.00 0.00 0.00 178.15 179.29 2wpq h THR 493 N 0.81 1.09 -0.43 -0.27 2.02 -1.05 0.31 112.91 115.39 2wpq h THR 493 Ca 0.22 -0.21 0.05 0.00 0.77 0.00 0.00 66.41 67.24 2wpq h THR 493 Cb -0.06 0.71 -0.05 0.00 -1.74 0.00 0.00 68.15 67.02 2wpq h THR 493 CO -0.04 0.09 0.16 0.74 0.37 0.00 0.00 175.52 176.84 2wpq h THR 494 N 0.37 0.88 -0.71 3.16 2.02 -1.21 -1.84 112.91 115.59 2wpq h THR 494 Ca 0.10 -0.11 -0.06 0.00 0.77 0.00 0.00 66.41 67.10 2wpq h THR 494 Cb -0.01 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 66.89 2wpq h THR 494 CO -0.02 0.06 0.19 0.78 0.37 0.00 0.00 175.52 176.90 2wpq h ASN 495 N 0.33 1.06 -0.51 4.18 2.35 -0.65 -1.39 115.58 120.95 2wpq h ASN 495 Ca 0.20 -0.23 0.05 0.00 -0.55 0.00 0.00 56.30 55.78 2wpq h ASN 495 Cb 0.18 -0.28 -0.05 0.00 0.05 0.00 0.00 38.32 38.22 2wpq h ASN 495 CO -0.20 1.01 0.24 0.74 -1.65 0.00 0.00 177.43 177.57 2wpq h THR 496 N 1.06 0.92 -0.60 2.81 2.02 -0.08 0.62 112.91 119.65 2wpq h THR 496 Ca 0.22 -0.16 -0.06 0.00 0.77 0.00 0.00 66.41 67.18 2wpq h THR 496 Cb 0.35 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 2wpq h THR 496 CO -0.00 0.08 0.13 0.78 0.37 0.00 0.00 175.52 176.88 2wpq h ASN 497 N 0.46 0.93 -0.60 4.18 2.35 -1.06 0.12 115.58 121.96 2wpq h ASN 497 Ca 0.23 -0.25 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 2wpq h ASN 497 Cb 0.17 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.27 2wpq h ASN 497 CO -0.18 0.94 0.31 0.28 -1.65 0.00 0.00 177.43 177.13 2wpq h SER 498 N 0.89 0.77 -0.52 5.81 0.02 -0.93 -1.84 113.55 117.75 2wpq h SER 498 Ca 0.19 -0.11 -0.05 0.00 -0.84 0.00 0.00 61.79 60.98 2wpq h SER 498 Cb 0.38 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 2wpq h SER 498 CO 0.01 0.66 0.13 0.40 -1.14 0.00 0.00 176.83 176.89 2wpq h ILE 499 N 0.82 1.24 -0.75 3.27 2.04 -0.54 0.74 117.51 124.33 2wpq h ILE 499 Ca 0.21 -0.84 -0.03 0.00 1.00 0.00 0.00 64.86 65.19 2wpq h ILE 499 Cb 0.08 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 2wpq h ILE 499 CO -0.03 0.31 0.33 0.78 0.00 0.00 0.00 178.15 179.54 2wpq h ASN 500 N 0.73 1.00 -0.31 1.72 2.35 -0.88 0.25 115.58 120.44 2wpq h ASN 500 Ca 0.16 -0.15 -0.05 0.00 -0.55 0.00 0.00 56.30 55.71 2wpq h ASN 500 Cb 0.32 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 2wpq h ASN 500 CO 0.00 0.88 -0.01 -0.61 -1.65 0.00 0.00 177.43 176.04 2wpq h GLN 501 N 1.07 0.55 -0.52 0.81 5.75 -1.12 -2.42 115.11 119.22 2wpq h GLN 501 Ca 0.25 -0.18 -0.06 0.00 -0.15 0.00 0.00 58.65 58.52 2wpq h GLN 501 Cb 0.16 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.64 2wpq h GLN 501 CO -0.03 0.69 0.10 -0.91 -2.65 0.00 0.00 178.83 176.04 2wpq h ASN 502 N 0.34 0.81 -0.61 -0.69 2.35 -0.48 -0.97 115.58 116.34 2wpq h ASN 502 Ca 0.09 -0.25 0.07 0.00 -0.55 0.00 0.00 56.30 55.66 2wpq h ASN 502 Cb 0.45 -0.22 -0.06 0.00 0.05 0.00 0.00 38.32 38.55 2wpq h ASN 502 CO 0.02 0.85 0.30 0.74 -1.65 0.00 0.00 177.43 177.69 2wpq h THR 503 N 0.74 0.90 -0.04 2.81 2.02 -0.52 0.12 112.91 118.93 2wpq h THR 503 Ca 0.16 -0.19 -0.00 0.00 0.77 0.00 0.00 66.41 67.15 2wpq h THR 503 Cb 0.38 0.30 -0.00 0.00 -1.74 0.00 0.00 68.15 67.08 2wpq h THR 503 CO 0.01 0.10 0.02 0.74 0.37 0.00 0.00 175.52 176.76 2wpq h THR 504 N 0.55 1.10 -0.77 3.16 2.02 -1.12 -1.79 112.91 116.06 2wpq h THR 504 Ca 0.29 -0.28 -0.02 0.00 0.77 0.00 0.00 66.41 67.17 2wpq h THR 504 Cb 0.25 1.21 -0.04 0.00 -1.74 0.00 0.00 68.15 67.83 2wpq h THR 504 CO -0.22 0.08 0.42 0.44 0.37 0.00 0.00 175.52 176.61 2wpq h ASP 505 N -0.05 0.95 -0.43 4.18 3.32 -0.83 0.17 116.42 123.73 2wpq h ASP 505 Ca 0.01 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 2wpq h ASP 505 Cb 0.11 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 2wpq h ASP 505 CO -0.00 0.77 0.23 0.40 -1.72 0.00 0.00 179.24 178.92 2wpq h ILE 506 N 1.08 1.16 -0.38 0.35 2.04 -0.70 0.13 117.51 121.18 2wpq h ILE 506 Ca 0.27 -0.44 -0.00 0.00 1.00 0.00 0.00 64.86 65.69 2wpq h ILE 506 Cb 0.03 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 2wpq h ILE 506 CO -0.04 0.17 0.23 0.00 0.00 0.00 0.00 178.15 178.51 2wpq h ALA 507 N 1.08 0.49 -0.35 1.87 0.00 -0.59 0.61 119.26 122.36 2wpq h ALA 507 Ca 0.15 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.04 2wpq h ALA 507 Cb 0.07 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2wpq h ALA 507 CO -0.02 -0.02 0.15 1.15 0.00 0.00 0.00 179.25 180.50 2wpq h THR 508 N 0.50 0.93 -0.62 0.00 2.02 -0.88 -0.85 112.91 114.01 2wpq h THR 508 Ca 0.14 -0.11 -0.08 0.00 0.77 0.00 0.00 66.41 67.14 2wpq h THR 508 Cb -0.00 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 66.98 2wpq h THR 508 CO -0.03 0.06 0.09 0.78 0.37 0.00 0.00 175.52 176.79 2wpq h ASN 509 N 0.31 0.97 -0.37 4.18 4.21 -0.42 -1.53 115.58 122.94 2wpq h ASN 509 Ca 0.16 -0.23 -0.01 0.00 1.21 0.00 0.00 56.30 57.43 2wpq h ASN 509 Cb 0.10 -0.26 -0.02 0.00 -1.12 0.00 0.00 38.32 37.03 2wpq h ASN 509 CO -0.14 0.98 0.19 0.74 -1.29 0.00 0.00 177.43 177.91 2wpq h THR 510 N 0.95 1.15 -0.59 2.81 2.02 0.55 -0.64 112.91 119.16 2wpq h THR 510 Ca 0.19 -0.41 0.01 0.00 0.77 0.00 0.00 66.41 66.97 2wpq h THR 510 Cb 0.43 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 67.56 2wpq h THR 510 CO 0.01 0.16 0.39 0.74 0.37 0.00 0.00 175.52 177.19 2wpq h THR 511 N 0.46 1.15 -0.23 3.16 2.02 -1.02 -1.97 112.91 116.48 2wpq h THR 511 Ca 0.13 -0.28 -0.11 0.00 0.77 0.00 0.00 66.41 66.92 2wpq h THR 511 Cb 0.08 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 66.75 2wpq h THR 511 CO -0.02 0.15 -0.32 0.78 0.37 0.00 0.00 175.52 176.48 2wpq h ASN 512 N 0.80 0.50 -0.33 4.18 2.35 -0.99 -0.94 115.58 121.16 2wpq h ASN 512 Ca 0.22 -0.19 -0.04 0.00 -0.55 0.00 0.00 56.30 55.74 2wpq h ASN 512 Cb -0.09 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.13 2wpq h ASN 512 CO -0.05 0.79 0.06 0.40 -1.65 0.00 0.00 177.43 176.98 2wpq h ILE 513 N 0.42 1.23 -0.67 2.81 2.04 -0.90 -0.35 117.51 122.09 2wpq h ILE 513 Ca 0.05 -0.81 0.02 0.00 1.00 0.00 0.00 64.86 65.13 2wpq h ILE 513 Cb 0.76 1.13 -0.04 0.00 -0.74 0.00 0.00 36.82 37.93 2wpq h ILE 513 CO 0.06 0.27 0.43 0.78 0.00 0.00 0.00 178.15 179.69 2wpq h ASN 514 N 0.38 0.71 -0.51 1.72 2.35 -1.12 0.15 115.58 119.26 2wpq h ASN 514 Ca 0.10 -0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.81 2wpq h ASN 514 Cb 0.34 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 2wpq h ASN 514 CO 0.01 0.50 0.19 0.78 -1.65 0.00 0.00 177.43 177.25 2wpq h ASN 515 N 0.85 0.72 -0.70 5.81 2.35 -0.94 -0.84 115.58 122.83 2wpq h ASN 515 Ca 0.26 -0.18 -0.06 0.00 -0.55 0.00 0.00 56.30 55.78 2wpq h ASN 515 Cb -0.01 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.14 2wpq h ASN 515 CO -0.09 0.70 0.22 -0.07 -1.65 0.00 0.00 177.43 176.54 2wpq h LEU 516 N 0.68 1.02 -0.25 1.61 3.38 -0.73 -0.53 115.31 120.49 2wpq h LEU 516 Ca 0.17 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 2wpq h LEU 516 Cb 0.22 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2wpq h LEU 516 CO -0.01 0.95 0.14 -1.28 0.09 0.00 0.00 178.44 178.33 2wpq h SER 517 N 1.03 0.31 0.02 -0.43 0.87 -0.53 0.21 113.55 115.03 2wpq h SER 517 Ca 0.23 -0.08 0.03 0.00 -1.23 0.00 0.00 61.79 60.74 2wpq h SER 517 Cb 0.30 -0.08 -0.05 0.00 -0.44 0.00 0.00 62.40 62.13 2wpq h SER 517 CO -0.01 0.29 -0.31 -0.78 -0.53 0.00 0.00 176.83 175.50 2wpq h ASP 518 N 0.30 -0.92 -0.75 6.23 3.58 -1.07 0.01 116.42 123.80 2wpq h ASP 518 Ca 0.09 0.12 0.12 0.00 0.42 0.00 0.00 57.03 57.77 2wpq h ASP 518 Cb 0.05 0.36 -0.08 0.00 1.72 0.00 0.00 39.33 41.38 2wpq h ASP 518 CO -0.01 -0.38 0.35 0.28 -2.88 0.00 0.00 179.24 176.60 2wpq h SER 519 N -0.47 0.42 -0.16 2.28 0.02 -0.79 -1.32 113.55 113.53 2wpq h SER 519 Ca 0.05 0.08 -0.13 0.00 -0.84 0.00 0.00 61.79 60.96 2wpq h SER 519 Cb 0.55 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 2wpq h SER 519 CO -0.24 0.21 -0.34 0.24 -1.14 0.00 0.00 176.83 175.55 2wpq h MET 520 N 0.56 0.66 -0.79 3.45 2.86 -0.21 -0.57 114.93 120.89 2wpq h MET 520 Ca 0.39 -0.31 -0.02 0.00 -2.06 0.00 0.00 59.70 57.70 2wpq h MET 520 Cb 0.50 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.12 2wpq h MET 520 CO -0.33 0.91 0.41 0.87 1.06 0.00 0.00 176.91 179.83 2wpq h LYS 521 N 0.56 1.12 -0.36 1.72 1.57 -0.47 -0.01 116.57 120.69 2wpq h LYS 521 Ca 0.06 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 2wpq h LYS 521 Cb 0.85 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.94 2wpq h LYS 521 CO 0.07 0.84 0.12 1.96 -0.57 0.00 0.00 179.45 181.87 2wpq h GLN 522 N 1.10 0.56 -0.71 3.15 4.20 -0.87 -1.93 115.11 120.62 2wpq h GLN 522 Ca 0.27 -0.12 0.03 0.00 0.06 0.00 0.00 58.65 58.89 2wpq h GLN 522 Cb 0.07 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.72 2wpq h GLN 522 CO -0.04 0.58 0.44 0.82 -0.67 0.00 0.00 178.83 179.96 2wpq h ILE 523 N 0.44 1.10 -0.86 2.54 1.08 -0.85 -0.27 117.51 120.69 2wpq h ILE 523 Ca 0.12 -0.30 0.03 0.00 -0.39 0.00 0.00 64.86 64.32 2wpq h ILE 523 Cb 0.25 0.15 -0.05 0.00 -3.07 0.00 0.00 36.82 34.10 2wpq h ILE 523 CO -0.00 0.16 0.57 -0.33 -0.69 0.00 0.00 178.15 177.85 2wpq h GLU 524 N 0.87 1.05 -0.26 2.37 5.08 -0.69 0.97 114.58 123.97 2wpq h GLU 524 Ca 0.28 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.56 2wpq h GLU 524 Cb 0.01 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.01 2wpq h GLU 524 CO -0.11 0.69 0.08 -0.44 -1.00 0.00 0.00 179.01 178.23 2wpq h ASP 525 N 1.08 0.38 -0.75 1.42 3.32 -0.54 -1.11 116.42 120.21 2wpq h ASP 525 Ca 0.34 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 2wpq h ASP 525 Cb 0.01 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.42 2wpq h ASP 525 CO -0.10 0.49 0.42 0.11 -1.72 0.00 0.00 179.24 178.44 2wpq h LYS 526 N 0.25 1.05 -0.49 3.56 1.57 -0.29 -1.91 116.57 120.32 2wpq h LYS 526 Ca 0.08 -0.11 -0.07 0.00 -1.87 0.00 0.00 60.65 58.68 2wpq h LYS 526 Cb 0.25 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 2wpq h LYS 526 CO -0.00 0.77 0.01 0.82 -0.57 0.00 0.00 179.45 180.48 2wpq h ILE 527 N 1.06 1.26 -0.64 1.86 2.04 -0.68 0.92 117.51 123.34 2wpq h ILE 527 Ca 0.27 -1.05 0.10 0.00 1.00 0.00 0.00 64.86 65.18 2wpq h ILE 527 Cb 0.01 0.98 -0.07 0.00 -0.74 0.00 0.00 36.82 37.00 2wpq h ILE 527 CO -0.04 0.37 0.25 -0.33 0.00 0.00 0.00 178.15 178.39 2wpq h GLU 528 N 0.71 0.43 -0.11 2.37 5.08 -0.76 0.58 114.58 122.87 2wpq h GLU 528 Ca 0.14 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.43 2wpq h GLU 528 Cb 0.49 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 2wpq h GLU 528 CO 0.02 0.28 -0.09 0.93 -1.00 0.00 0.00 179.01 179.15 2wpq h GLU 529 N 0.44 0.26 -0.71 2.33 4.39 -1.02 -2.49 114.58 117.77 2wpq h GLU 529 Ca 0.32 -0.13 0.14 0.00 0.34 0.00 0.00 59.36 60.03 2wpq h GLU 529 Cb 0.40 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 28.96 2wpq h GLU 529 CO -0.31 0.66 0.24 0.82 -1.16 0.00 0.00 179.01 179.26 2wpq h ILE 530 N -0.14 0.63 -0.53 3.13 2.04 -0.45 0.14 117.51 122.34 2wpq h ILE 530 Ca 0.02 -0.13 -0.05 0.00 1.00 0.00 0.00 64.86 65.70 2wpq h ILE 530 Cb 0.60 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 2wpq h ILE 530 CO 0.02 0.07 0.12 -0.07 0.00 0.00 0.00 178.15 178.30 2wpq h LEU 531 N 0.37 0.75 -0.23 1.44 3.38 -0.83 -0.39 115.31 119.81 2wpq h LEU 531 Ca 0.39 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 2wpq h LEU 531 Cb 0.60 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2wpq h LEU 531 CO -0.42 0.74 0.09 0.28 0.09 0.00 0.00 178.44 179.23 2wpq h SER 532 N 0.78 0.32 -1.00 -0.43 0.02 -0.66 -1.13 113.55 111.44 2wpq h SER 532 Ca 0.17 -0.17 0.06 0.00 -0.84 0.00 0.00 61.79 61.01 2wpq h SER 532 Cb 0.29 -0.08 -0.07 0.00 0.14 0.00 0.00 62.40 62.68 2wpq h SER 532 CO -0.00 0.40 0.65 0.11 -1.14 0.00 0.00 176.83 176.85 2wpq h LYS 533 N 0.22 1.16 -0.24 3.45 1.57 -0.27 -1.76 116.57 120.70 2wpq h LYS 533 Ca 0.08 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 2wpq h LYS 533 Cb 0.18 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 32.23 2wpq h LYS 533 CO -0.01 0.76 -0.29 0.82 -0.57 0.00 0.00 179.45 180.17 2wpq h ILE 534 N 1.19 1.32 -0.42 1.86 2.04 -0.92 -0.41 117.51 122.16 2wpq h ILE 534 Ca 0.43 -1.47 0.07 0.00 1.00 0.00 0.00 64.86 64.88 2wpq h ILE 534 Cb 0.14 1.70 -0.06 0.00 -0.74 0.00 0.00 36.82 37.87 2wpq h ILE 534 CO -0.16 0.46 0.09 0.22 0.00 0.00 0.00 178.15 178.75 2wpq h TYR 535 N 0.33 0.14 -0.49 1.37 5.03 -0.98 -0.39 116.97 121.98 2wpq h TYR 535 Ca 0.03 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.36 2wpq h TYR 535 Cb 0.86 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 39.12 2wpq h TYR 535 CO 0.08 0.01 0.28 1.25 -1.32 0.00 0.00 178.16 178.46 2wpq h HIS 536 N 0.22 0.66 -0.88 -3.82 2.76 -1.16 -1.45 115.15 111.47 2wpq h HIS 536 Ca 0.21 -0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.39 2wpq h HIS 536 Cb 0.25 -0.21 -0.05 0.00 1.55 0.00 0.00 27.41 28.95 2wpq h HIS 536 CO -0.20 0.48 0.57 0.82 -1.30 0.00 0.00 177.93 178.30 2wpq h ILE 537 N 0.65 1.16 -0.52 6.26 2.04 -0.61 -1.07 117.51 125.43 2wpq h ILE 537 Ca 0.17 -0.39 -0.12 0.00 1.00 0.00 0.00 64.86 65.53 2wpq h ILE 537 Cb 0.03 -0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.03 2wpq h ILE 537 CO -0.03 0.21 -0.14 -0.33 0.00 0.00 0.00 178.15 177.85 2wpq h GLU 538 N 1.12 1.02 -0.38 2.37 5.08 -0.70 -0.59 114.58 122.51 2wpq h GLU 538 Ca 0.34 -0.39 0.03 0.00 -1.00 0.00 0.00 59.36 58.34 2wpq h GLU 538 Cb -0.03 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.13 2wpq h GLU 538 CO -0.10 1.08 0.17 -0.91 -1.00 0.00 0.00 179.01 178.24 2wpq h ASN 539 N 0.90 0.23 -0.25 1.42 2.35 -0.89 -0.33 115.58 119.00 2wpq h ASN 539 Ca 0.13 0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.91 2wpq h ASN 539 Cb 0.71 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.06 2wpq h ASN 539 CO 0.05 0.17 0.15 -0.33 -1.65 0.00 0.00 177.43 175.82 2wpq h GLU 540 N 0.35 0.34 -0.44 0.81 4.39 -0.80 -1.34 114.58 117.90 2wpq h GLU 540 Ca 0.16 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.83 2wpq h GLU 540 Cb 0.10 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 2wpq h GLU 540 CO -0.13 0.28 0.29 0.82 -1.16 0.00 0.00 179.01 179.11 2wpq h ILE 541 N 0.31 1.12 -0.55 3.13 2.04 -0.92 0.83 117.51 123.46 2wpq h ILE 541 Ca 0.09 -0.22 0.10 0.00 1.00 0.00 0.00 64.86 65.83 2wpq h ILE 541 Cb 0.03 0.48 -0.08 0.00 -0.74 0.00 0.00 36.82 36.51 2wpq h ILE 541 CO -0.02 0.11 0.10 0.00 0.00 0.00 0.00 178.15 178.35 2wpq h ALA 542 N 1.16 0.63 -0.56 1.87 0.00 -0.86 0.18 119.26 121.67 2wpq h ALA 542 Ca 0.16 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2wpq h ALA 542 Cb -0.06 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2wpq h ALA 542 CO -0.03 -0.31 0.36 0.00 0.00 0.00 0.00 179.25 179.27 2wpq h ARG 543 N 0.23 0.75 -0.41 0.00 3.08 -0.24 -2.20 114.38 115.58 2wpq h ARG 543 Ca 0.28 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.27 2wpq h ARG 543 Cb 0.41 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 2wpq h ARG 543 CO -0.38 0.51 0.22 0.82 -1.07 0.00 0.00 179.97 180.07 2wpq h ILE 544 N 0.76 1.16 -0.93 2.04 2.04 -0.20 -2.43 117.51 119.95 2wpq h ILE 544 Ca 0.20 -0.41 0.07 0.00 1.00 0.00 0.00 64.86 65.72 2wpq h ILE 544 Cb -0.07 0.68 -0.06 0.00 -0.74 0.00 0.00 36.82 36.62 2wpq h ILE 544 CO -0.04 0.16 0.60 0.11 0.00 0.00 0.00 178.15 178.98 2wpq h LYS 545 N 0.53 1.03 0.00 2.37 1.57 -0.70 -0.83 116.57 120.54 2wpq h LYS 545 Ca 0.15 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2wpq h LYS 545 Cb 0.06 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.14 2wpq h LYS 545 CO -0.02 0.68 -0.01 0.87 -0.57 0.00 0.00 179.45 180.40 2wpq h LYS 546 N 1.06 0.00 -0.00 3.15 1.57 -1.03 -3.17 116.57 118.14 2wpq h LYS 546 Ca 0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.18 2wpq h LYS 546 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 2wpq h LYS 546 CO -0.15 0.01 -0.81 1.28 -0.57 0.00 0.00 179.45 179.20 2wpq n LEU 547 N -3.10 1.06 -0.49 2.94 4.32 -0.38 -5.11 117.00 116.24 2wpq n LEU 547 Ca 0.01 -0.44 0.06 0.00 -0.02 0.00 0.00 56.01 55.62 2wpq n LEU 547 Cb 0.33 -0.05 0.05 0.00 -1.62 0.00 0.00 43.42 42.13 2wpq n LEU 547 CO 0.28 0.24 0.44 2.30 -1.22 0.00 0.00 177.39 179.44