#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a4c h PRO 454 N -0.03 0.29 -0.94 0.00 0.13 -2.05 0.52 132.00 129.92 3a4c h PRO 454 Ca -0.45 -0.02 0.08 0.00 -0.87 0.00 0.00 66.00 64.74 3a4c h PRO 454 Cb 1.19 -0.06 -0.07 0.00 0.13 0.00 0.00 31.00 32.19 3a4c h PRO 454 CO 0.62 0.19 0.61 1.49 -0.23 0.00 0.00 178.00 180.68 3a4c h GLU 455 N 0.29 1.00 0.06 0.86 4.81 -1.99 0.14 114.58 119.75 3a4c h GLU 455 Ca 0.28 -0.06 -0.25 0.00 -0.13 0.00 0.00 59.36 59.20 3a4c h GLU 455 Cb 0.37 -0.22 0.01 0.00 0.63 0.00 0.00 28.75 29.54 3a4c h GLU 455 CO -0.33 0.66 -1.08 0.37 -0.73 0.00 0.00 179.01 177.89 3a4c h GLN 456 N 1.03 0.37 -0.60 1.92 4.15 -1.61 -1.76 115.11 118.61 3a4c h GLN 456 Ca 0.42 -0.48 -0.05 0.00 0.77 0.00 0.00 58.65 59.31 3a4c h GLN 456 Cb 0.28 0.16 -0.03 0.00 0.21 0.00 0.00 27.48 28.10 3a4c h GLN 456 CO -0.17 1.17 0.16 1.49 -1.93 0.00 0.00 178.83 179.54 3a4c h GLU 457 N 0.17 0.92 -0.25 1.69 4.57 -0.19 -1.08 114.58 120.40 3a4c h GLU 457 Ca -0.11 -0.19 -0.02 0.00 -1.18 0.00 0.00 59.36 57.86 3a4c h GLU 457 Cb 1.75 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 30.20 3a4c h GLU 457 CO 0.18 0.81 0.09 1.25 -1.18 0.00 0.00 179.01 180.16 3a4c h LEU 458 N 0.88 0.36 -0.51 1.64 5.85 -0.65 -1.04 115.31 121.84 3a4c h LEU 458 Ca 0.19 -0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.77 3a4c h LEU 458 Cb 0.30 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 3a4c h LEU 458 CO -0.00 0.45 0.25 -0.09 -0.34 0.00 0.00 178.44 178.72 3a4c h ARG 459 N 0.25 0.48 -0.97 1.25 2.43 -1.04 -0.87 114.38 115.92 3a4c h ARG 459 Ca 0.08 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3a4c h ARG 459 Cb 0.22 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.61 3a4c h ARG 459 CO -0.00 0.32 0.61 1.25 -1.51 0.00 0.00 179.97 180.64 3a4c h LEU 460 N 0.50 1.13 -0.40 3.80 5.85 -1.01 0.16 115.31 125.34 3a4c h LEU 460 Ca 0.23 -0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.95 3a4c h LEU 460 Cb 0.14 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 40.84 3a4c h LEU 460 CO -0.16 0.85 0.12 1.56 -0.34 0.00 0.00 178.44 180.47 3a4c h GLN 461 N 1.32 0.27 -0.29 1.25 4.20 -0.43 -1.82 115.11 119.60 3a4c h GLN 461 Ca 0.35 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.98 3a4c h GLN 461 Cb -0.11 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.60 3a4c h GLN 461 CO -0.07 0.18 -0.06 0.00 -0.67 0.00 0.00 178.83 178.21 3a4c h ARG 462 N 0.28 0.55 -0.25 1.46 3.08 -0.47 -3.03 114.38 115.99 3a4c h ARG 462 Ca 0.19 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 3a4c h ARG 462 Cb 0.19 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 3a4c h ARG 462 CO -0.21 0.74 0.10 -0.07 -1.07 0.00 0.00 179.97 179.46 3a4c h LEU 463 N 0.32 0.31 -1.58 3.04 3.38 -0.56 -1.35 115.31 118.86 3a4c h LEU 463 Ca 0.08 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 3a4c h LEU 463 Cb 0.53 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 3a4c h LEU 463 CO 0.03 0.29 -0.15 -0.33 0.09 0.00 0.00 178.44 178.36 3a4c h GLU 464 N 0.35 0.00 0.00 1.13 5.08 -1.21 -2.72 114.58 117.22 3a4c h GLU 464 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3a4c h GLU 464 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3a4c h GLU 464 CO -0.01 0.15 -0.32 0.00 -1.00 0.00 0.00 179.01 177.84 3a4c h ARG 465 N 0.00 0.00 -0.68 2.33 3.08 -1.24 -3.40 114.38 114.47 3a4c h ARG 465 Ca -0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 3a4c h ARG 465 Cb 0.51 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.54 3a4c h ARG 465 CO 0.02 0.00 0.11 -0.07 -1.07 0.00 0.00 179.97 178.96 3a4c h LEU 466 N 0.00 1.07 -0.56 3.04 3.38 -1.42 -1.23 115.31 119.59 3a4c h LEU 466 Ca 0.00 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.73 3a4c h LEU 466 Cb 0.89 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 3a4c h LEU 466 CO 0.00 1.06 0.35 -0.65 0.09 0.00 0.00 178.44 179.29 3a4c h PRO 467 N 1.04 0.68 -0.35 1.13 0.11 -1.78 0.32 132.00 133.16 3a4c h PRO 467 Ca 0.21 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 66.17 3a4c h PRO 467 Cb 0.45 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.39 3a4c h PRO 467 CO 0.01 0.45 -0.20 0.93 -0.21 0.00 0.00 178.00 178.99 3a4c h GLU 468 N 0.70 0.76 -0.47 1.05 5.08 -1.81 -2.87 114.58 117.02 3a4c h GLU 468 Ca 0.22 -0.34 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 3a4c h GLU 468 Cb -0.01 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 3a4c h GLU 468 CO -0.08 0.96 0.25 -0.07 -1.00 0.00 0.00 179.01 179.07 3a4c h LEU 469 N 0.54 0.57 -1.02 1.33 4.07 -0.90 -1.57 115.31 118.33 3a4c h LEU 469 Ca 0.08 -0.04 -0.05 0.00 0.08 0.00 0.00 57.88 57.95 3a4c h LEU 469 Cb 0.75 -0.14 -0.03 0.00 1.08 0.00 0.00 40.66 42.32 3a4c h LEU 469 CO 0.06 0.47 0.17 0.00 -1.08 0.00 0.00 178.44 178.05 3a4c h ALA 470 N 1.63 1.21 -0.33 1.53 0.00 -0.19 0.14 119.26 123.25 3a4c h ALA 470 Ca 0.17 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 3a4c h ALA 470 Cb 0.02 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 3a4c h ALA 470 CO -0.03 0.55 -0.35 -0.09 0.00 0.00 0.00 179.25 179.34 3a4c h ARG 471 N 0.85 0.82 -0.37 0.00 2.43 -1.19 -0.70 114.38 116.23 3a4c h ARG 471 Ca 0.19 -0.44 0.00 0.00 -0.81 0.00 0.00 59.98 58.92 3a4c h ARG 471 Cb 0.26 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 3a4c h ARG 471 CO -0.01 1.07 0.24 0.28 -1.51 0.00 0.00 179.97 180.05 3a4c h VAL 472 N 0.60 1.10 -0.30 0.20 2.07 -0.96 -0.60 116.25 118.36 3a4c h VAL 472 Ca 0.05 -0.19 0.05 0.00 0.82 0.00 0.00 66.70 67.43 3a4c h VAL 472 Cb 0.93 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 31.23 3a4c h VAL 472 CO 0.09 0.09 0.04 0.25 0.02 0.00 0.00 177.57 178.06 3a4c h LEU 473 N 0.49 -0.04 -0.81 2.57 5.85 -0.62 -1.39 115.31 121.37 3a4c h LEU 473 Ca 0.13 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 3a4c h LEU 473 Cb -0.05 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 3a4c h LEU 473 CO -0.03 0.02 0.46 -0.09 -0.34 0.00 0.00 178.44 178.46 3a4c h ARG 474 N 0.14 1.12 -0.53 1.25 2.43 -0.71 -2.16 114.38 115.91 3a4c h ARG 474 Ca 0.14 -0.12 -0.05 0.00 -0.81 0.00 0.00 59.98 59.14 3a4c h ARG 474 Cb 0.17 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 3a4c h ARG 474 CO -0.21 0.82 0.14 -0.91 -1.51 0.00 0.00 179.97 178.30 3a4c h ASN 475 N 1.12 0.75 -0.62 -3.80 -0.26 -0.76 0.13 115.58 112.14 3a4c h ASN 475 Ca 0.29 -0.13 0.00 0.00 -0.56 0.00 0.00 56.30 55.91 3a4c h ASN 475 Cb 0.01 -0.19 -0.03 0.00 -1.06 0.00 0.00 38.32 37.04 3a4c h ASN 475 CO -0.05 0.73 0.40 0.58 -1.06 0.00 0.00 177.43 178.03 3a4c h VAL 476 N 0.78 1.16 -0.02 2.81 2.07 -0.80 -2.32 116.25 119.94 3a4c h VAL 476 Ca 0.17 -0.31 -0.15 0.00 0.82 0.00 0.00 66.70 67.23 3a4c h VAL 476 Cb 0.27 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 3a4c h VAL 476 CO -0.00 0.16 -0.68 -0.26 0.02 0.00 0.00 177.57 176.80 3a4c h PHE 477 N 0.84 0.17 -0.45 1.57 -1.00 -0.85 -2.73 116.94 114.48 3a4c h PHE 477 Ca 0.23 -0.07 -0.01 0.00 2.81 0.00 0.00 57.97 60.92 3a4c h PHE 477 Cb -0.08 -0.03 -0.02 0.00 3.61 0.00 0.00 35.95 39.43 3a4c h PHE 477 CO -0.03 0.77 0.21 0.28 -1.61 0.00 0.00 178.31 177.93 3a4c h VAL 478 N 0.09 1.15 -0.00 -0.55 2.07 -0.53 -2.09 116.25 116.39 3a4c h VAL 478 Ca -0.01 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.08 3a4c h VAL 478 Cb 1.22 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 3a4c h VAL 478 CO 0.10 0.18 -0.15 -0.24 0.02 0.00 0.00 177.57 177.48 3a4c n SER 479 N -4.40 0.47 -4.56 0.57 2.88 -0.89 -4.80 113.62 102.90 3a4c n SER 479 Ca 0.03 -0.46 -0.35 0.00 -1.33 0.00 0.00 58.87 56.77 3a4c n SER 479 Cb 0.12 -0.07 -0.11 0.00 -0.75 0.00 0.00 64.21 63.40 3a4c n SER 479 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 3a4c s GLU 480 N -2.58 3.82 0.27 -1.46 2.56 -0.79 -4.99 118.70 115.54 3a4c s GLU 480 Ca 0.25 -0.43 0.11 0.00 0.00 0.00 0.00 54.97 54.90 3a4c s GLU 480 Cb 0.20 -3.13 0.35 0.00 2.00 0.00 0.00 34.13 33.55 3a4c s GLU 480 CO 0.50 0.19 1.61 0.07 -0.56 0.00 0.00 175.26 177.07 3a4c h ARG 481 N 6.95 0.00 -6.96 4.30 0.11 -1.87 -3.45 114.38 113.45 3a4c h ARG 481 Ca -0.35 0.00 -0.48 0.00 0.10 0.00 0.00 59.98 59.25 3a4c h ARG 481 Cb 1.18 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.27 3a4c h ARG 481 CO 0.66 0.62 0.40 0.15 0.10 0.00 0.00 179.97 181.89 3a4c s LYS 482 N -3.58 4.21 0.34 0.08 1.02 -1.26 -4.96 119.74 115.58 3a4c s LYS 482 Ca -0.01 1.45 0.26 0.00 0.02 0.00 0.00 55.97 57.69 3a4c s LYS 482 Cb 0.12 -2.53 0.78 0.00 -0.52 0.00 0.00 37.83 35.68 3a4c s LYS 482 CO 0.76 -0.09 1.75 -1.00 -0.92 0.00 0.00 175.35 175.84 3a4c h PRO 483 N 2.50 0.00 -4.07 -1.68 0.14 -1.97 -3.45 132.00 123.47 3a4c h PRO 483 Ca -0.48 0.00 -0.15 0.00 0.14 0.00 0.00 66.00 65.50 3a4c h PRO 483 Cb 1.21 0.00 -0.19 0.00 0.14 0.00 0.00 31.00 32.16 3a4c h PRO 483 CO 0.62 0.00 -0.69 0.00 0.14 0.00 0.00 178.00 178.07 3a4c s ALA 484 N -3.25 0.25 0.04 -0.56 0.00 -1.26 -4.22 121.76 112.76 3a4c s ALA 484 Ca 0.07 -0.80 0.01 0.00 0.00 0.00 0.00 51.96 51.24 3a4c s ALA 484 Cb 0.09 0.19 -0.02 0.00 0.00 0.00 0.00 23.12 23.38 3a4c s ALA 484 CO 0.58 -0.23 -0.06 -0.51 0.00 0.00 0.00 175.76 175.54 3a4c s LEU 485 N -1.95 2.27 0.57 0.00 1.43 -0.74 -4.95 118.68 115.30 3a4c s LEU 485 Ca -0.08 -0.56 -0.19 0.00 -1.03 0.00 0.00 54.13 52.27 3a4c s LEU 485 Cb -0.04 -0.05 -0.05 0.00 0.03 0.00 0.00 46.19 46.08 3a4c s LEU 485 CO -0.04 -0.26 1.17 0.42 0.23 0.00 0.00 176.35 177.87 3a4c s THR 486 N -1.56 2.91 0.24 5.49 -4.23 -1.26 0.28 115.64 117.52 3a4c s THR 486 Ca -0.11 0.57 -0.04 0.00 -1.18 0.00 0.00 61.69 60.93 3a4c s THR 486 Cb -0.09 -3.22 0.21 0.00 1.34 0.00 0.00 72.50 70.74 3a4c s THR 486 CO -0.01 -0.12 1.75 0.24 -0.54 0.00 0.00 174.62 175.94 3a4c h MET 487 N 1.04 0.52 -0.26 3.99 2.86 -0.88 -0.09 114.93 122.10 3a4c h MET 487 Ca -0.50 -0.03 0.05 0.00 -2.06 0.00 0.00 59.70 57.16 3a4c h MET 487 Cb 1.28 -0.12 -0.05 0.00 0.06 0.00 0.00 31.60 32.78 3a4c h MET 487 CO 0.56 0.34 -0.04 1.49 1.06 0.00 0.00 176.91 180.32 3a4c h GLU 488 N 0.53 0.03 -0.39 1.72 4.81 -1.91 -0.29 114.58 119.08 3a4c h GLU 488 Ca 0.41 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.60 3a4c h GLU 488 Cb 0.57 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.92 3a4c h GLU 488 CO -0.36 0.02 0.11 0.28 -0.73 0.00 0.00 179.01 178.33 3a4c h VAL 489 N 0.03 1.22 -0.52 0.32 2.07 -1.71 -1.96 116.25 115.70 3a4c h VAL 489 Ca 0.13 -0.74 -0.00 0.00 0.82 0.00 0.00 66.70 66.90 3a4c h VAL 489 Cb 0.18 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 3a4c h VAL 489 CO -0.25 0.26 0.32 0.58 0.02 0.00 0.00 177.57 178.50 3a4c h VAL 490 N 0.48 1.15 -0.67 2.57 2.07 -0.81 -0.02 116.25 121.02 3a4c h VAL 490 Ca 0.12 -0.32 -0.07 0.00 0.82 0.00 0.00 66.70 67.25 3a4c h VAL 490 Cb 0.29 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 3a4c h VAL 490 CO -0.00 0.15 0.13 0.00 0.02 0.00 0.00 177.57 177.87 3a4c h ALA 492 N 1.06 0.83 -0.27 0.00 0.00 -0.91 -1.08 119.26 118.87 3a4c h ALA 492 Ca 0.21 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 3a4c h ALA 492 Cb 0.41 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3a4c h ALA 492 CO 0.01 0.43 -0.41 0.00 0.00 0.00 0.00 179.25 179.28 3a4c h ARG 493 N 0.89 0.66 -0.14 0.00 3.08 -0.59 -2.40 114.38 115.87 3a4c h ARG 493 Ca 0.21 -0.34 -0.04 0.00 0.07 0.00 0.00 59.98 59.88 3a4c h ARG 493 Cb 0.18 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.24 3a4c h ARG 493 CO -0.02 0.95 -0.08 0.52 -1.07 0.00 0.00 179.97 180.26 3a4c h MET 494 N 0.54 0.31 -0.40 0.04 2.86 -0.54 -1.65 114.93 116.10 3a4c h MET 494 Ca 0.04 -0.14 -0.03 0.00 -2.06 0.00 0.00 59.70 57.51 3a4c h MET 494 Cb 0.93 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.57 3a4c h MET 494 CO 0.08 0.65 0.12 -0.39 1.06 0.00 0.00 176.91 178.44 3a4c h VAL 495 N -0.04 1.17 0.00 -2.22 -1.51 -1.23 -2.12 116.25 110.30 3a4c h VAL 495 Ca 0.03 -0.56 0.00 0.00 -1.23 0.00 0.00 66.70 64.94 3a4c h VAL 495 Cb 0.57 0.73 0.00 0.00 -2.13 0.00 0.00 31.29 30.46 3a4c h VAL 495 CO 0.02 0.21 0.00 0.47 -1.23 0.00 0.00 177.57 177.04 3a4c n ASP 496 N -4.35 0.15 -0.27 4.19 9.92 -0.91 -3.73 116.55 121.55 3a4c n ASP 496 Ca 0.03 0.52 0.12 0.00 -0.53 0.00 0.00 54.79 54.92 3a4c n ASP 496 Cb 0.17 -0.56 0.14 0.00 -0.64 0.00 0.00 41.12 40.24 3a4c n ASP 496 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 3a4c n SER 497 N -1.64 1.34 -3.45 -2.24 7.64 -0.63 -4.97 113.62 109.67 3a4c n SER 497 Ca 0.06 -1.07 -0.12 0.00 1.01 0.00 0.00 58.87 58.75 3a4c n SER 497 Cb 0.33 0.41 -0.04 0.00 -1.01 0.00 0.00 64.21 63.91 3a4c n SER 497 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3a4c n GLN 499 N -0.50 1.71 -2.07 0.00 6.02 -1.26 -4.92 117.38 116.35 3a4c n GLN 499 Ca -0.01 -1.58 -0.35 0.00 -0.01 0.00 0.00 57.00 55.05 3a4c n GLN 499 Cb 0.62 -1.62 0.02 0.00 1.02 0.00 0.00 30.24 30.28 3a4c n GLN 499 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 3a4c s THR 500 N -1.93 2.85 -2.11 5.09 -1.32 -1.26 -4.93 115.64 112.04 3a4c s THR 500 Ca 0.30 0.52 0.17 0.00 -1.21 0.00 0.00 61.69 61.48 3a4c s THR 500 Cb 0.25 -3.19 0.44 0.00 -1.51 0.00 0.00 72.50 68.49 3a4c s THR 500 CO 0.04 -0.13 1.56 0.00 -2.21 0.00 0.00 174.62 173.88 3a4c n ALA 501 N -1.56 2.56 -2.50 11.08 0.00 -1.26 -4.91 120.51 123.91 3a4c n ALA 501 Ca 0.13 -0.29 -0.38 0.00 0.00 0.00 0.00 53.44 52.90 3a4c n ALA 501 Cb 0.50 -1.17 -0.06 0.00 0.00 0.00 0.00 19.45 18.72 3a4c n ALA 501 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3a4c s LEU 502 N -1.49 4.46 0.79 0.00 1.43 -1.26 -5.09 118.68 117.53 3a4c s LEU 502 Ca 0.27 0.96 -0.11 0.00 -1.03 0.00 0.00 54.13 54.21 3a4c s LEU 502 Cb 0.13 -2.64 0.07 0.00 0.03 0.00 0.00 46.19 43.78 3a4c s LEU 502 CO 0.21 0.31 1.10 -0.94 0.23 0.00 0.00 176.35 177.25 3a4c s SER 503 N -1.16 4.52 0.33 2.29 1.04 -1.26 -4.82 113.70 114.64 3a4c s SER 503 Ca 0.25 1.31 0.03 0.00 0.48 0.00 0.00 55.95 58.02 3a4c s SER 503 Cb -0.16 -2.05 0.63 0.00 0.10 0.00 0.00 66.02 64.53 3a4c s SER 503 CO 0.14 -1.95 1.94 -0.65 0.98 0.00 0.00 173.24 173.70 3a4c h PRO 504 N -1.08 0.87 -0.63 4.02 0.11 -1.99 0.18 132.00 133.49 3a4c h PRO 504 Ca -0.47 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.56 3a4c h PRO 504 Cb 1.27 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 3a4c h PRO 504 CO 0.59 0.58 0.26 0.78 -0.21 0.00 0.00 178.00 180.00 3a4c h GLY 505 N 0.90 1.00 1.51 -0.55 0.00 -1.96 -0.01 103.07 103.95 3a4c h GLY 505 Ca 0.34 -0.53 -0.13 0.00 0.00 0.00 0.00 47.33 47.00 3a4c h GLY 505 CO -0.11 0.50 -0.41 0.83 0.00 0.00 0.00 176.54 177.34 3a4c h GLU 506 N 0.87 0.54 -0.64 4.80 5.08 -1.76 -2.67 114.58 120.80 3a4c h GLU 506 Ca 0.21 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 3a4c h GLU 506 Cb 0.18 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 3a4c h GLU 506 CO -0.02 0.86 0.37 1.98 -1.00 0.00 0.00 179.01 181.20 3a4c h MET 507 N 0.44 0.88 -0.75 2.33 4.05 -0.36 -2.48 114.93 119.05 3a4c h MET 507 Ca 0.04 -0.09 0.07 0.00 -0.28 0.00 0.00 59.70 59.44 3a4c h MET 507 Cb 0.91 -0.18 -0.06 0.00 -0.80 0.00 0.00 31.60 31.47 3a4c h MET 507 CO 0.08 0.64 0.42 1.49 0.23 0.00 0.00 176.91 179.77 3a4c h GLU 508 N 0.87 0.73 -0.84 0.39 4.81 -0.75 -0.21 114.58 119.59 3a4c h GLU 508 Ca 0.23 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.46 3a4c h GLU 508 Cb 0.00 -0.16 -0.06 0.00 0.63 0.00 0.00 28.75 29.16 3a4c h GLU 508 CO -0.04 0.48 0.53 0.87 -0.73 0.00 0.00 179.01 180.12 3a4c h LYS 509 N 0.75 0.97 -0.34 1.92 1.57 -1.13 -0.82 116.57 119.48 3a4c h LYS 509 Ca 0.34 -0.06 -0.13 0.00 -1.87 0.00 0.00 60.65 58.94 3a4c h LYS 509 Cb 0.26 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 3a4c h LYS 509 CO -0.21 0.64 -0.31 0.45 -0.57 0.00 0.00 179.45 179.45 3a4c h HIS 510 N 1.00 0.86 -0.63 -1.35 3.86 -0.81 -1.94 115.15 116.14 3a4c h HIS 510 Ca 0.35 -0.22 -0.07 0.00 -1.16 0.00 0.00 60.37 59.27 3a4c h HIS 510 Cb 0.09 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 28.34 3a4c h HIS 510 CO -0.03 0.96 0.11 -0.07 0.86 0.00 0.00 177.93 179.76 3a4c h LEU 511 N 0.62 0.96 -0.59 2.43 4.07 -0.60 -1.12 115.31 121.07 3a4c h LEU 511 Ca 0.07 -0.21 -0.07 0.00 0.08 0.00 0.00 57.88 57.75 3a4c h LEU 511 Cb 0.84 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 42.30 3a4c h LEU 511 CO 0.07 0.95 0.10 0.58 -1.08 0.00 0.00 178.44 179.06 3a4c h VAL 512 N 0.95 1.26 -0.77 1.22 2.07 -0.99 -0.37 116.25 119.62 3a4c h VAL 512 Ca 0.19 -0.99 0.05 0.00 0.82 0.00 0.00 66.70 66.77 3a4c h VAL 512 Cb 0.40 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 30.86 3a4c h VAL 512 CO 0.01 0.36 0.48 -0.07 0.02 0.00 0.00 177.57 178.37 3a4c h LEU 513 N 0.89 0.76 -0.80 2.57 3.38 -1.05 -0.65 115.31 120.41 3a4c h LEU 513 Ca 0.18 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.11 3a4c h LEU 513 Cb 0.42 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 3a4c h LEU 513 CO 0.01 0.51 0.31 0.25 0.09 0.00 0.00 178.44 179.61 3a4c h LEU 514 N 0.90 1.11 -1.28 1.67 5.85 -0.80 0.40 115.31 123.16 3a4c h LEU 514 Ca 0.33 -0.18 -0.06 0.00 0.84 0.00 0.00 57.88 58.81 3a4c h LEU 514 Cb 0.10 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 3a4c h LEU 514 CO -0.14 0.98 -0.17 0.00 -0.34 0.00 0.00 178.44 178.77 3a4c h ALA 515 N 1.17 1.40 0.01 1.25 0.00 -0.48 0.15 119.26 122.77 3a4c h ALA 515 Ca 0.26 -0.25 -0.24 0.00 0.00 0.00 0.00 54.91 54.69 3a4c h ALA 515 Cb 0.23 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.93 3a4c h ALA 515 CO -0.02 0.41 -0.98 0.93 0.00 0.00 0.00 179.25 179.59 3a4c h GLU 516 N 0.26 0.44 0.09 0.00 5.08 -0.50 -2.99 114.58 116.97 3a4c h GLU 516 Ca 0.05 -0.49 -0.26 0.00 -1.00 0.00 0.00 59.36 57.66 3a4c h GLU 516 Cb 0.46 0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 3a4c h GLU 516 CO 0.03 1.15 -1.16 -0.07 -1.00 0.00 0.00 179.01 177.96 3a4c h LEU 517 N 0.24 0.36 -5.67 1.33 4.07 -0.66 -3.39 115.31 111.59 3a4c h LEU 517 Ca -0.09 -0.37 -0.55 0.00 0.08 0.00 0.00 57.88 56.95 3a4c h LEU 517 Cb 1.63 -0.12 -0.41 0.00 1.08 0.00 0.00 40.66 42.84 3a4c h LEU 517 CO 0.17 1.27 -0.86 0.18 -1.08 0.00 0.00 178.44 178.12 3a4c n LEU 518 N -3.53 2.86 0.27 1.67 4.77 0.51 -4.93 117.00 118.62 3a4c n LEU 518 Ca -0.07 -5.36 0.14 0.00 -0.03 0.00 0.00 56.01 50.69 3a4c n LEU 518 Cb 0.98 -0.04 0.78 0.00 -2.33 0.00 0.00 43.42 42.81 3a4c n LEU 518 CO 0.52 2.29 1.01 1.55 -1.33 0.00 0.00 177.39 181.43 3a4c h PRO 519 N 3.16 0.00 0.00 3.23 0.13 -1.73 -0.69 132.00 136.10 3a4c h PRO 519 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3a4c h PRO 519 Cb 0.71 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.84 3a4c h PRO 519 CO 0.69 0.09 0.00 -0.44 -0.23 0.00 0.00 178.00 178.11 3a4c h ASP 520 N 0.00 0.00 0.00 1.44 3.32 -1.91 -3.34 116.42 115.93 3a4c h ASP 520 Ca -0.00 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.69 3a4c h ASP 520 Cb 0.30 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.79 3a4c h ASP 520 CO 0.01 0.00 -2.13 1.87 -1.72 0.00 0.00 179.24 177.27 3a4c n TRP 521 N -2.48 0.10 -3.82 4.55 -0.00 -0.40 -4.63 117.44 110.76 3a4c n TRP 521 Ca 0.04 0.04 -0.36 0.00 -0.00 0.00 0.00 57.50 57.22 3a4c n TRP 521 Cb 0.39 -0.91 -0.13 0.00 -0.00 0.00 0.00 31.31 30.65 3a4c n TRP 521 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 177.69 176.52 3a4c s LEU 522 N -7.63 3.52 0.01 5.87 2.96 -0.43 -0.79 118.68 122.19 3a4c s LEU 522 Ca -0.36 -0.62 0.05 0.00 -0.22 0.00 0.00 54.13 52.98 3a4c s LEU 522 Cb 0.12 -1.82 -0.03 0.00 0.50 0.00 0.00 46.19 44.96 3a4c s LEU 522 CO 0.48 -0.13 -0.13 -0.55 -1.32 0.00 0.00 176.35 174.70 3a4c s SER 523 N 1.48 4.18 -0.07 3.68 0.15 -0.61 -4.50 113.70 118.00 3a4c s SER 523 Ca 0.03 -0.27 0.05 0.00 0.70 0.00 0.00 55.95 56.46 3a4c s SER 523 Cb -0.16 -0.84 -0.01 0.00 -1.71 0.00 0.00 66.02 63.30 3a4c s SER 523 CO 0.00 0.28 -0.25 -0.76 1.20 0.00 0.00 173.24 173.72 3a4c s LEU 524 N -1.32 2.07 -0.11 3.45 1.43 -1.26 -1.82 118.68 121.13 3a4c s LEU 524 Ca 0.15 -0.53 -0.02 0.00 -1.03 0.00 0.00 54.13 52.71 3a4c s LEU 524 Cb -0.11 -1.38 0.04 0.00 0.03 0.00 0.00 46.19 44.76 3a4c s LEU 524 CO 0.05 0.21 0.00 -2.28 0.23 0.00 0.00 176.35 174.57 3a4c s HIS 525 N 0.03 0.81 -0.03 0.29 2.46 -0.12 -4.93 115.29 113.79 3a4c s HIS 525 Ca -0.09 -0.38 -0.30 0.00 0.47 0.00 0.00 55.06 54.76 3a4c s HIS 525 Cb -0.15 -0.89 -0.04 0.00 -0.13 0.00 0.00 32.58 31.37 3a4c s HIS 525 CO 0.06 -0.41 1.19 1.03 -2.47 0.00 0.00 174.74 174.13 3a4c s ARG 526 N 1.93 4.38 -0.18 2.88 0.52 -1.26 -0.26 118.95 126.95 3a4c s ARG 526 Ca 0.04 1.67 -0.00 0.00 -0.52 0.00 0.00 55.73 56.92 3a4c s ARG 526 Cb -0.13 -3.51 0.04 0.00 0.52 0.00 0.00 34.95 31.86 3a4c s ARG 526 CO -0.06 -0.39 -0.06 0.42 0.02 0.00 0.00 175.30 175.23 3a4c s ILE 527 N 1.95 1.19 0.00 1.52 1.01 -0.10 -4.97 121.20 121.79 3a4c s ILE 527 Ca 0.56 -0.71 0.00 0.00 0.00 0.00 0.00 60.65 60.50 3a4c s ILE 527 Cb -0.25 -1.36 0.00 0.00 0.01 0.00 0.00 42.46 40.85 3a4c s ILE 527 CO 0.23 0.11 0.00 0.54 0.00 0.00 0.00 174.94 175.82 3a4c n ARG 528 N 4.84 0.00 -0.25 2.79 1.74 -1.26 -1.23 116.66 123.29 3a4c n ARG 528 Ca -0.12 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.05 3a4c n ARG 528 Cb 0.47 0.00 0.25 0.00 -1.02 0.00 0.00 32.46 32.17 3a4c n ARG 528 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3a4c n THR 529 N 0.00 0.66 -3.91 0.55 -2.24 -1.26 -4.88 114.28 103.20 3a4c n THR 529 Ca 0.00 -0.70 -0.29 0.00 -2.27 0.00 0.00 64.05 60.79 3a4c n THR 529 Cb 0.00 0.44 -0.04 0.00 -2.10 0.00 0.00 70.33 68.63 3a4c n THR 529 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3a4c s ASP 530 N -1.11 6.36 -0.19 3.42 1.01 -0.37 -5.10 116.67 120.70 3a4c s ASP 530 Ca 0.37 0.25 0.00 0.00 0.71 0.00 0.00 52.55 53.88 3a4c s ASP 530 Cb 0.19 -1.95 0.02 0.00 1.01 0.00 0.00 42.92 42.19 3a4c s ASP 530 CO 0.26 0.11 -0.18 -0.89 0.21 0.00 0.00 175.17 174.68 3a4c s THR 531 N -1.62 2.24 -0.06 -1.27 2.01 -1.26 -0.92 115.64 114.75 3a4c s THR 531 Ca 0.35 -0.89 -0.18 0.00 0.31 0.00 0.00 61.69 61.29 3a4c s THR 531 Cb -0.12 -1.96 -0.05 0.00 0.01 0.00 0.00 72.50 70.38 3a4c s THR 531 CO 0.28 0.51 0.48 -0.31 -0.69 0.00 0.00 174.62 174.89 3a4c s TYR 532 N 1.31 3.60 -0.22 4.92 2.02 0.64 -0.14 117.35 129.48 3a4c s TYR 532 Ca 0.05 0.97 -0.10 0.00 -0.37 0.00 0.00 57.07 57.62 3a4c s TYR 532 Cb -0.13 -2.48 -0.05 0.00 -0.40 0.00 0.00 41.96 38.89 3a4c s TYR 532 CO -0.12 0.34 0.15 0.08 -1.57 0.00 0.00 175.55 174.43 3a4c s VAL 533 N -0.01 5.38 -0.03 0.71 1.01 0.14 -0.95 120.40 126.66 3a4c s VAL 533 Ca 0.26 0.19 0.03 0.00 0.00 0.00 0.00 61.98 62.45 3a4c s VAL 533 Cb -0.16 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.73 3a4c s VAL 533 CO 0.12 0.38 -0.09 -0.75 0.00 0.00 0.00 175.10 174.76 3a4c s LYS 534 N 0.77 1.02 -0.10 2.72 2.20 -0.76 -1.79 119.74 123.80 3a4c s LYS 534 Ca 0.08 -0.32 -0.04 0.00 -0.36 0.00 0.00 55.97 55.33 3a4c s LYS 534 Cb -0.12 -0.94 -0.04 0.00 -1.51 0.00 0.00 37.83 35.22 3a4c s LYS 534 CO 0.02 0.12 0.05 -0.51 -0.36 0.00 0.00 175.35 174.67 3a4c s LEU 535 N 0.19 3.88 -0.70 5.43 1.43 -1.26 -1.57 118.68 126.08 3a4c s LEU 535 Ca -0.03 0.25 -0.26 0.00 -1.03 0.00 0.00 54.13 53.06 3a4c s LEU 535 Cb -0.09 -1.91 0.04 0.00 0.03 0.00 0.00 46.19 44.25 3a4c s LEU 535 CO 0.01 0.38 1.20 -0.62 0.23 0.00 0.00 176.35 177.54 3a4c s ASP 536 N -0.85 6.21 0.00 2.29 -1.08 0.03 -4.87 116.67 118.40 3a4c s ASP 536 Ca 0.13 -0.47 0.23 0.00 -0.52 0.00 0.00 52.55 51.93 3a4c s ASP 536 Cb -0.12 -2.53 1.38 0.00 -1.46 0.00 0.00 42.92 40.20 3a4c s ASP 536 CO 0.03 -1.70 1.76 0.29 0.52 0.00 0.00 175.17 176.07 3a4c n LYS 537 N 8.90 0.75 -0.04 4.34 5.02 -1.26 -2.77 118.16 133.10 3a4c n LYS 537 Ca 0.02 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.34 3a4c n LYS 537 Cb 0.48 -1.48 0.13 0.00 -0.02 0.00 0.00 35.03 34.14 3a4c n LYS 537 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3a4c n ALA 538 N -0.98 2.51 -2.45 7.82 0.00 -1.26 -4.77 120.51 121.37 3a4c n ALA 538 Ca 0.17 -0.16 -0.29 0.00 0.00 0.00 0.00 53.44 53.17 3a4c n ALA 538 Cb 0.08 -1.05 -0.16 0.00 0.00 0.00 0.00 19.45 18.33 3a4c n ALA 538 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3a4c s VAL 539 N -1.90 1.77 0.25 0.00 -7.23 -1.11 -5.13 120.40 107.05 3a4c s VAL 539 Ca 0.10 -0.95 -0.26 0.00 -1.81 0.00 0.00 61.98 59.05 3a4c s VAL 539 Cb 0.05 -1.48 -0.09 0.00 0.56 0.00 0.00 36.38 35.42 3a4c s VAL 539 CO 0.07 0.50 0.88 -0.62 -0.31 0.00 0.00 175.10 175.63 3a4c s ASP 540 N -0.46 7.42 0.40 4.85 3.68 -1.26 -4.94 116.67 126.37 3a4c s ASP 540 Ca 0.07 1.79 0.28 0.00 2.13 0.00 0.00 52.55 56.82 3a4c s ASP 540 Cb -0.09 -2.56 1.39 0.00 -1.45 0.00 0.00 42.92 40.21 3a4c s ASP 540 CO -0.00 0.08 1.86 0.25 0.13 0.00 0.00 175.17 177.48 3a4c h LEU 541 N 3.76 0.00 -0.00 -1.34 5.85 -1.98 -1.06 115.31 120.53 3a4c h LEU 541 Ca -0.46 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.21 3a4c h LEU 541 Cb 1.20 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.23 3a4c h LEU 541 CO 0.66 0.00 -0.18 0.00 -0.34 0.00 0.00 178.44 178.58 3a4c h ALA 542 N 2.08 0.03 -0.40 1.25 0.00 -1.99 -1.71 119.26 118.52 3a4c h ALA 542 Ca 0.00 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 3a4c h ALA 542 Cb 0.18 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3a4c h ALA 542 CO 0.00 0.03 0.14 0.78 0.00 0.00 0.00 179.25 180.20 3a4c h GLY 543 N -0.56 0.65 0.83 0.00 0.00 -1.80 -2.29 103.07 99.89 3a4c h GLY 543 Ca -0.02 -0.37 0.04 0.00 0.00 0.00 0.00 47.33 46.98 3a4c h GLY 543 CO 0.04 0.35 0.47 1.41 0.00 0.00 0.00 176.54 178.80 3a4c h LEU 544 N 0.49 0.76 -0.79 3.11 4.07 -1.31 -1.34 115.31 120.31 3a4c h LEU 544 Ca 0.13 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 58.01 3a4c h LEU 544 Cb 0.22 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 41.79 3a4c h LEU 544 CO -0.01 0.51 0.03 0.74 -1.08 0.00 0.00 178.44 178.63 3a4c h THR 545 N 0.90 1.25 -0.32 0.22 2.02 -1.11 0.28 112.91 116.15 3a4c h THR 545 Ca 0.31 -1.06 -0.09 0.00 0.77 0.00 0.00 66.41 66.34 3a4c h THR 545 Cb 0.06 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 3a4c h THR 545 CO -0.13 0.38 -0.16 0.00 0.37 0.00 0.00 175.52 175.98 3a4c h ALA 546 N 1.15 0.45 -0.57 6.16 0.00 -1.12 -1.91 119.26 123.42 3a4c h ALA 546 Ca 0.17 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3a4c h ALA 546 Cb 0.48 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3a4c h ALA 546 CO 0.02 0.36 0.29 0.00 0.00 0.00 0.00 179.25 179.93 3a4c h ARG 547 N 0.44 0.80 -0.22 0.00 3.08 -0.87 -1.08 114.38 116.53 3a4c h ARG 547 Ca 0.07 -0.11 0.03 0.00 0.07 0.00 0.00 59.98 60.05 3a4c h ARG 547 Cb 0.70 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.56 3a4c h ARG 547 CO 0.05 0.64 0.02 1.25 -1.07 0.00 0.00 179.97 180.86 3a4c h LEU 548 N 0.77 -0.03 -0.75 3.04 5.85 -0.41 -0.65 115.31 123.13 3a4c h LEU 548 Ca 0.20 0.04 0.05 0.00 0.84 0.00 0.00 57.88 59.00 3a4c h LEU 548 Cb 0.08 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 3a4c h LEU 548 CO -0.03 0.01 0.46 0.00 -0.34 0.00 0.00 178.44 178.55 3a4c h ALA 549 N 1.17 1.00 -0.20 1.25 0.00 -1.10 -0.81 119.26 120.57 3a4c h ALA 549 Ca 0.10 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3a4c h ALA 549 Cb 0.11 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3a4c h ALA 549 CO -0.15 0.21 0.08 1.25 0.00 0.00 0.00 179.25 180.64 3a4c h HIS 550 N 0.87 0.31 -0.18 0.00 -0.00 -0.83 -0.75 115.15 114.56 3a4c h HIS 550 Ca 0.32 -0.02 0.04 0.00 -0.00 0.00 0.00 60.37 60.70 3a4c h HIS 550 Cb 0.10 -0.09 -0.03 0.00 -0.00 0.00 0.00 27.41 27.38 3a4c h HIS 550 CO -0.05 0.35 -0.04 0.45 -0.00 0.00 0.00 177.93 178.64 3a4c h HIS 551 N 0.17 -0.09 -0.21 5.26 -0.00 -0.82 0.52 115.15 119.99 3a4c h HIS 551 Ca 0.07 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.45 3a4c h HIS 551 Cb 0.17 0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 27.64 3a4c h HIS 551 CO -0.01 -0.07 0.13 0.28 -0.00 0.00 0.00 177.93 178.25 3a4c h VAL 552 N 0.01 1.09 -0.72 2.45 2.07 -1.05 -2.56 116.25 117.53 3a4c h VAL 552 Ca 0.09 -0.21 0.03 0.00 0.82 0.00 0.00 66.70 67.43 3a4c h VAL 552 Cb 0.13 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 3a4c h VAL 552 CO -0.19 0.08 0.45 -0.74 0.02 0.00 0.00 177.57 177.20 3a4c h HIS 553 N 0.25 0.85 0.00 1.57 6.17 -0.97 -2.61 115.15 120.41 3a4c h HIS 553 Ca 0.08 0.02 -0.01 0.00 0.71 0.00 0.00 60.37 61.17 3a4c h HIS 553 Cb 0.02 -0.28 -0.00 0.00 2.52 0.00 0.00 27.41 29.67 3a4c h HIS 553 CO -0.05 0.49 -0.05 0.00 0.71 0.00 0.00 177.93 179.03 3a4c h ALA 554 N 1.31 1.33 0.00 5.26 0.00 -0.50 -1.32 119.26 125.34 3a4c h ALA 554 Ca 0.29 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 3a4c h ALA 554 Cb 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3a4c h ALA 554 CO -0.11 0.07 -0.17 0.93 0.00 0.00 0.00 179.25 179.97 3a4c h GLU 555 N 0.00 0.00 -5.46 0.00 5.08 -1.14 -3.47 114.58 109.59 3a4c h GLU 555 Ca -0.00 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.02 3a4c h GLU 555 Cb 0.17 0.00 0.14 0.00 0.50 0.00 0.00 28.75 29.56 3a4c h GLU 555 CO 0.01 0.17 -0.68 0.41 -1.00 0.00 0.00 179.01 177.92 3a4c n GLY 556 N -0.45 -0.38 0.00 -3.84 0.00 -0.50 -5.15 105.19 94.87 3a4c n GLY 556 Ca -0.01 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3a4c n GLY 556 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22