#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d1d h ASP 437 N 0.00 0.25 -0.66 1.20 3.32 -2.04 -3.18 116.42 115.31 3d1d h ASP 437 Ca 0.00 -0.97 0.06 0.00 0.02 0.00 0.00 57.03 56.14 3d1d h ASP 437 Cb 0.00 -0.08 -0.08 0.00 0.22 0.00 0.00 39.33 39.39 3d1d h ASP 437 CO 0.00 1.22 -0.39 -0.11 -1.72 0.00 0.00 179.24 178.24 3d1d n LEU 438 N -4.34 -0.70 -0.20 1.55 -0.00 -1.26 0.55 117.00 112.59 3d1d n LEU 438 Ca -0.12 1.49 -0.08 0.00 -0.00 0.00 0.00 56.01 57.30 3d1d n LEU 438 Cb 0.67 -0.31 0.02 0.00 -0.00 0.00 0.00 43.42 43.81 3d1d n LEU 438 CO 0.42 -1.11 0.98 1.88 -0.00 0.00 0.00 177.39 179.55 3d1d h TYR 439 N 0.00 0.85 -0.63 1.96 -1.99 -2.01 -2.38 116.97 112.78 3d1d h TYR 439 Ca 0.11 -0.06 0.03 0.00 2.00 0.00 0.00 58.73 60.81 3d1d h TYR 439 Cb 0.27 -0.26 -0.04 0.00 2.00 0.00 0.00 36.73 38.70 3d1d h TYR 439 CO -0.97 0.68 0.38 0.82 -0.00 0.00 0.00 178.16 179.08 3d1d h ILE 440 N 0.77 1.06 -0.74 -2.88 1.08 -1.19 0.06 117.51 115.68 3d1d h ILE 440 Ca 0.19 -0.26 -0.06 0.00 -0.39 0.00 0.00 64.86 64.34 3d1d h ILE 440 Cb 0.19 0.25 -0.03 0.00 -3.07 0.00 0.00 36.82 34.15 3d1d h ILE 440 CO -0.02 0.14 0.23 0.78 -0.69 0.00 0.00 178.15 178.59 3d1d h ASN 441 N 0.75 1.08 -0.52 1.72 2.35 0.28 -1.91 115.58 119.33 3d1d h ASN 441 Ca 0.26 -0.21 -0.08 0.00 -0.55 0.00 0.00 56.30 55.73 3d1d h ASN 441 Cb 0.04 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.11 3d1d h ASN 441 CO -0.11 1.01 0.04 -0.50 -1.65 0.00 0.00 177.43 176.22 3d1d h TRP 442 N 1.11 0.99 -0.76 1.19 6.55 -0.90 -2.03 115.95 122.09 3d1d h TRP 442 Ca 0.24 -0.14 0.09 0.00 0.95 0.00 0.00 58.89 60.03 3d1d h TRP 442 Cb 0.31 -0.27 -0.07 0.00 -0.86 0.00 0.00 29.16 28.27 3d1d h TRP 442 CO 0.03 0.87 0.42 1.25 -1.05 0.00 0.00 178.44 179.95 3d1d h LEU 443 N 0.87 0.58 -0.40 -4.49 5.85 -0.43 0.23 115.31 117.52 3d1d h LEU 443 Ca 0.17 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.94 3d1d h LEU 443 Cb 0.45 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.42 3d1d h LEU 443 CO 0.02 0.33 0.00 0.29 -0.34 0.00 0.00 178.44 178.74 3d1d n LYS 444 N -4.79 0.11 -0.40 1.25 5.02 -0.77 -2.66 118.16 115.92 3d1d n LYS 444 Ca 0.12 0.35 0.09 0.00 -2.02 0.00 0.00 58.31 56.85 3d1d n LYS 444 Cb 0.27 -1.71 0.28 0.00 -0.02 0.00 0.00 35.03 33.84 3d1d n LYS 444 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3d1d n SER 445 N -1.92 3.61 -4.80 4.39 7.64 0.81 -4.64 113.62 118.70 3d1d n SER 445 Ca 0.03 -2.16 -0.39 0.00 1.01 0.00 0.00 58.87 57.36 3d1d n SER 445 Cb 0.20 -0.46 -0.06 0.00 -1.01 0.00 0.00 64.21 62.88 3d1d n SER 445 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3d1d s LEU 446 N -1.27 4.50 0.22 -3.43 1.43 -1.09 -4.96 118.68 114.08 3d1d s LEU 446 Ca 0.42 1.20 -0.09 0.00 -1.03 0.00 0.00 54.13 54.63 3d1d s LEU 446 Cb 0.24 -2.86 0.21 0.00 0.03 0.00 0.00 46.19 43.81 3d1d s LEU 446 CO 0.24 0.24 1.88 0.28 0.23 0.00 0.00 176.35 179.22 3d1d h SER 447 N 4.82 0.87 -0.64 2.29 0.02 -1.91 0.21 113.55 119.21 3d1d h SER 447 Ca -0.49 -0.01 0.03 0.00 -0.84 0.00 0.00 61.79 60.48 3d1d h SER 447 Cb 1.21 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 63.50 3d1d h SER 447 CO 0.65 0.61 0.39 0.15 -1.14 0.00 0.00 176.83 177.49 3d1d h PHE 448 N 1.03 0.72 0.44 3.45 3.57 -1.95 -0.66 116.94 123.54 3d1d h PHE 448 Ca 0.31 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.81 3d1d h PHE 448 Cb -0.04 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.47 3d1d h PHE 448 CO -0.02 0.40 -0.21 0.35 -2.23 0.00 0.00 178.31 176.60 3d1d h PHE 449 N 0.75 -0.54 -0.07 0.41 3.57 -1.66 -2.99 116.94 116.42 3d1d h PHE 449 Ca 0.26 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.77 3d1d h PHE 449 Cb 0.05 0.18 -0.00 0.00 2.79 0.00 0.00 35.95 38.97 3d1d h PHE 449 CO -0.06 -0.23 0.09 1.96 -2.23 0.00 0.00 178.31 177.85 3d1d h GLN 450 N -0.85 0.00 -0.15 1.11 4.20 -0.81 0.82 115.11 119.43 3d1d h GLN 450 Ca -0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.65 3d1d h GLN 450 Cb 0.56 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.34 3d1d h GLN 450 CO 0.10 0.00 0.00 0.25 -0.67 0.00 0.00 178.83 178.51 3d1d n THR 451 N -3.71 0.18 -3.85 -0.54 -2.24 -0.27 -4.62 114.28 99.23 3d1d n THR 451 Ca -0.01 -0.44 -0.29 0.00 -2.27 0.00 0.00 64.05 61.04 3d1d n THR 451 Cb 0.18 0.76 -0.13 0.00 -2.10 0.00 0.00 70.33 69.04 3d1d n THR 451 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 3d1d s ASN 452 N -1.74 4.15 0.47 3.42 -0.87 0.28 -4.87 114.94 115.79 3d1d s ASN 452 Ca 0.34 -3.17 0.19 0.00 -1.57 0.00 0.00 52.86 48.66 3d1d s ASN 452 Cb 0.20 -1.44 1.20 0.00 -0.02 0.00 0.00 41.25 41.19 3d1d s ASN 452 CO 0.30 -0.19 1.96 0.77 -2.57 0.00 0.00 177.10 177.37 3d1d h SER 453 N 6.19 0.22 -0.25 -1.22 4.64 -1.82 0.46 113.55 121.77 3d1d h SER 453 Ca 0.02 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.34 3d1d h SER 453 Cb 0.86 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.90 3d1d h SER 453 CO 0.63 0.12 0.15 0.77 -0.87 0.00 0.00 176.83 177.63 3d1d h SER 454 N 0.23 0.33 0.01 4.97 4.64 -1.91 0.84 113.55 122.65 3d1d h SER 454 Ca 0.30 -0.02 -0.22 0.00 -0.47 0.00 0.00 61.79 61.38 3d1d h SER 454 Cb 0.86 -0.08 0.02 0.00 -0.31 0.00 0.00 62.40 62.89 3d1d h SER 454 CO -0.06 0.27 -0.88 0.00 -0.87 0.00 0.00 176.83 175.29 3d1d h ALA 456 N 0.36 0.90 -0.23 0.00 0.00 -1.03 -1.28 119.26 117.98 3d1d h ALA 456 Ca -0.11 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 3d1d h ALA 456 Cb 1.56 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 3d1d h ALA 456 CO 0.17 0.42 -0.13 0.93 0.00 0.00 0.00 179.25 180.64 3d1d h GLU 457 N 0.96 0.37 0.00 0.00 5.08 -0.82 -2.69 114.58 117.49 3d1d h GLU 457 Ca 0.25 -0.10 -0.20 0.00 -1.00 0.00 0.00 59.36 58.31 3d1d h GLU 457 Cb 0.04 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3d1d h GLU 457 CO -0.04 0.50 -0.88 0.00 -1.00 0.00 0.00 179.01 177.60 3d1d h ALA 458 N 1.52 0.51 0.62 3.43 0.00 -0.91 -3.17 119.26 121.27 3d1d h ALA 458 Ca 0.07 -0.72 -0.03 0.00 0.00 0.00 0.00 54.91 54.24 3d1d h ALA 458 Cb 0.44 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3d1d h ALA 458 CO 0.03 0.90 -0.36 1.25 0.00 0.00 0.00 179.25 181.06 3d1d h LEU 459 N 0.12 -0.90 -0.68 0.00 5.85 -0.94 0.14 115.31 118.91 3d1d h LEU 459 Ca -0.05 0.05 0.12 0.00 0.84 0.00 0.00 57.88 58.84 3d1d h LEU 459 Cb 1.50 0.26 -0.13 0.00 0.37 0.00 0.00 40.66 42.66 3d1d h LEU 459 CO 0.14 -0.57 -0.31 0.58 -0.34 0.00 0.00 178.44 177.93 3d1d h VAL 460 N -0.92 0.16 -0.65 1.05 2.07 -1.56 1.39 116.25 117.79 3d1d h VAL 460 Ca -0.08 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.37 3d1d h VAL 460 Cb 0.74 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 3d1d h VAL 460 CO 0.09 0.00 0.11 0.11 0.02 0.00 0.00 177.57 177.90 3d1d h LYS 461 N -0.10 1.06 0.07 1.57 1.57 -1.48 -3.24 116.57 116.01 3d1d h LYS 461 Ca 0.28 -0.27 -0.26 0.00 -1.87 0.00 0.00 60.65 58.53 3d1d h LYS 461 Cb 0.56 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 3d1d h LYS 461 CO -0.74 0.97 -1.23 0.28 -0.57 0.00 0.00 179.45 178.16 3d1d h VAL 462 N 1.00 1.49 -0.82 0.50 2.07 0.11 -3.37 116.25 117.23 3d1d h VAL 462 Ca 0.20 -3.14 0.18 0.00 0.82 0.00 0.00 66.70 64.77 3d1d h VAL 462 Cb 0.42 2.85 -0.05 0.00 -1.52 0.00 0.00 31.29 32.98 3d1d h VAL 462 CO 0.01 0.89 0.55 -0.29 0.02 0.00 0.00 177.57 178.75 3d1d h ILE 463 N 0.04 0.72 -0.79 4.57 2.10 0.18 -1.81 117.51 122.52 3d1d h ILE 463 Ca -0.11 -0.12 -0.04 0.00 1.08 0.00 0.00 64.86 65.66 3d1d h ILE 463 Cb 1.91 0.33 -0.03 0.00 -1.09 0.00 0.00 36.82 37.93 3d1d h ILE 463 CO 0.16 0.07 0.32 -0.65 -1.08 0.00 0.00 178.15 176.97 3d1d h PRO 464 N 0.36 1.18 0.00 2.19 0.11 -1.73 -1.54 132.00 132.57 3d1d h PRO 464 Ca 0.41 -0.21 0.00 0.00 0.11 0.00 0.00 66.00 66.31 3d1d h PRO 464 Cb 1.06 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.98 3d1d h PRO 464 CO -0.13 0.95 0.00 0.45 -0.21 0.00 0.00 178.00 179.06 3d1d h HIS 465 N 1.14 0.00 0.24 0.65 3.86 -1.58 -0.93 115.15 118.54 3d1d h HIS 465 Ca 0.26 0.00 -0.34 0.00 -1.16 0.00 0.00 60.37 59.14 3d1d h HIS 465 Cb 0.21 0.00 0.03 0.00 1.06 0.00 0.00 27.41 28.71 3d1d h HIS 465 CO 0.02 0.00 -1.52 -0.92 0.86 0.00 0.00 177.93 176.37 3d1d h TYR 466 N 0.00 0.93 -0.13 2.45 3.20 -1.24 0.82 116.97 123.00 3d1d h TYR 466 Ca 0.00 -0.68 -0.03 0.00 3.14 0.00 0.00 58.73 61.16 3d1d h TYR 466 Cb 0.23 -0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.46 3d1d h TYR 466 CO 0.00 1.58 -0.03 0.45 -1.64 0.00 0.00 178.16 178.52 3d1d h HIS 467 N 0.12 0.28 0.00 -3.82 3.86 -0.65 -2.58 115.15 112.37 3d1d h HIS 467 Ca -0.27 -0.06 0.00 0.00 -1.16 0.00 0.00 60.37 58.88 3d1d h HIS 467 Cb 2.15 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 30.55 3d1d h HIS 467 CO 0.13 0.55 0.00 0.09 0.86 0.00 0.00 177.93 179.56 3d1d n ASN 468 N -4.72 0.00 -3.69 2.45 3.02 -0.45 -4.88 115.26 106.99 3d1d n ASN 468 Ca -0.06 -0.88 -0.23 0.00 -0.03 0.00 0.00 54.58 53.38 3d1d n ASN 468 Cb 0.25 0.00 0.05 0.00 -0.61 0.00 0.00 39.78 39.47 3d1d n ASN 468 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3d1d n LYS 469 N -0.81 -5.93 -0.04 3.52 4.76 -0.97 -4.89 118.16 113.78 3d1d n LYS 469 Ca 0.10 0.69 -0.05 0.00 -2.87 0.00 0.00 58.31 56.18 3d1d n LYS 469 Cb 0.04 -5.51 -0.14 0.00 -1.84 0.00 0.00 35.03 27.58 3d1d n LYS 469 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3d1d n LEU 470 N -4.49 0.39 -4.24 -0.35 4.77 0.23 -4.94 117.00 108.36 3d1d n LEU 470 Ca -0.15 0.18 -0.16 0.00 -0.03 0.00 0.00 56.01 55.84 3d1d n LEU 470 Cb 0.61 0.28 -0.11 0.00 -2.33 0.00 0.00 43.42 41.87 3d1d n LEU 470 CO 0.68 0.34 -0.43 0.27 -1.33 0.00 0.00 177.39 176.92 3d1d s ILE 471 N -2.73 1.25 0.43 -0.08 -4.36 -0.87 -5.03 121.20 109.80 3d1d s ILE 471 Ca -0.07 -1.85 0.08 0.00 -0.26 0.00 0.00 60.65 58.55 3d1d s ILE 471 Cb 0.08 -1.64 -0.00 0.00 1.25 0.00 0.00 42.46 42.15 3d1d s ILE 471 CO 0.83 -0.56 0.48 1.51 0.24 0.00 0.00 174.94 177.44 3d1d s ASP 472 N -2.74 5.26 0.47 4.36 1.47 -1.26 -4.43 116.67 119.79 3d1d s ASP 472 Ca 0.12 -0.65 0.14 0.00 1.18 0.00 0.00 52.55 53.33 3d1d s ASP 472 Cb -0.02 -0.51 1.11 0.00 -0.34 0.00 0.00 42.92 43.16 3d1d s ASP 472 CO 0.02 -0.76 2.07 0.15 0.68 0.00 0.00 175.17 177.34 3d1d h PHE 473 N 0.82 0.24 -0.66 2.11 3.57 -1.99 -1.33 116.94 119.70 3d1d h PHE 473 Ca -0.40 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.02 3d1d h PHE 473 Cb 1.27 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.91 3d1d h PHE 473 CO 0.49 0.14 0.08 0.77 -2.23 0.00 0.00 178.31 177.56 3d1d h SER 474 N 0.25 1.07 0.03 0.41 0.02 -1.99 -0.88 113.55 112.47 3d1d h SER 474 Ca 0.13 -0.27 -0.09 0.00 -0.84 0.00 0.00 61.79 60.72 3d1d h SER 474 Cb 0.19 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 3d1d h SER 474 CO -0.02 1.07 -0.27 1.56 -1.14 0.00 0.00 176.83 178.03 3d1d h GLN 475 N 1.03 0.38 0.54 3.45 4.20 -1.67 -1.88 115.11 121.15 3d1d h GLN 475 Ca 0.20 -0.14 -0.03 0.00 0.06 0.00 0.00 58.65 58.74 3d1d h GLN 475 Cb 0.48 -0.02 0.01 0.00 0.30 0.00 0.00 27.48 28.24 3d1d h GLN 475 CO 0.02 0.62 -0.26 0.28 -0.67 0.00 0.00 178.83 178.82 3d1d h VAL 476 N 0.33 0.45 -0.79 -0.54 2.07 -0.70 0.53 116.25 117.59 3d1d h VAL 476 Ca 0.05 -0.14 0.16 0.00 0.82 0.00 0.00 66.70 67.59 3d1d h VAL 476 Cb 0.65 0.51 -0.10 0.00 -1.52 0.00 0.00 31.29 30.82 3d1d h VAL 476 CO 0.05 0.02 0.31 -0.07 0.02 0.00 0.00 177.57 177.90 3d1d h LEU 477 N -0.81 0.27 -0.06 2.57 3.38 -0.96 -0.89 115.31 118.80 3d1d h LEU 477 Ca -0.07 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3d1d h LEU 477 Cb 0.59 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 3d1d h LEU 477 CO 0.12 0.07 0.00 -0.61 0.09 0.00 0.00 178.44 178.11 3d1d h GLN 478 N 0.43 0.10 -0.36 1.13 4.15 -1.11 0.01 115.11 119.46 3d1d h GLN 478 Ca 0.45 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.82 3d1d h GLN 478 Cb 0.74 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.40 3d1d h GLN 478 CO -0.44 0.38 0.16 -0.07 -1.93 0.00 0.00 178.83 176.92 3d1d h LEU 479 N -0.19 0.48 0.25 -2.39 3.38 -0.43 -1.51 115.31 114.91 3d1d h LEU 479 Ca 0.02 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 3d1d h LEU 479 Cb 0.33 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3d1d h LEU 479 CO 0.00 0.49 -0.12 0.58 0.09 0.00 0.00 178.44 179.49 3d1d h VAL 480 N 0.44 0.80 0.00 1.22 2.07 -1.21 -3.04 116.25 116.53 3d1d h VAL 480 Ca 0.12 -0.33 -0.06 0.00 0.82 0.00 0.00 66.70 67.25 3d1d h VAL 480 Cb 0.15 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 3d1d h VAL 480 CO -0.01 0.07 -0.29 -0.26 0.02 0.00 0.00 177.57 177.10 3d1d h PHE 481 N -0.50 0.00 0.00 1.57 0.04 -0.99 -1.13 116.94 115.93 3d1d h PHE 481 Ca -0.03 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.72 3d1d h PHE 481 Cb 0.37 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.52 3d1d h PHE 481 CO -0.01 0.29 -0.08 0.66 -0.60 0.00 0.00 178.31 178.57 3d1d h SER 482 N 0.00 0.00 1.39 2.17 4.64 -1.19 -1.48 113.55 119.08 3d1d h SER 482 Ca -0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 3d1d h SER 482 Cb 0.55 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.64 3d1d h SER 482 CO 0.04 0.08 -0.08 0.00 -0.87 0.00 0.00 176.83 176.00 3d1d h ALA 483 N 1.92 0.98 -2.66 5.18 0.00 -1.09 -3.47 119.26 120.12 3d1d h ALA 483 Ca -0.00 -0.07 -0.57 0.00 0.00 0.00 0.00 54.91 54.27 3d1d h ALA 483 Cb 0.15 -0.01 0.15 0.00 0.00 0.00 0.00 17.79 18.08 3d1d h ALA 483 CO 0.01 0.09 0.12 -1.13 0.00 0.00 0.00 179.25 178.35 3d1d n SER 484 N -3.15 0.91 0.00 0.00 3.41 -0.56 -4.61 113.62 109.62 3d1d n SER 484 Ca 0.02 0.89 0.00 0.00 -0.26 0.00 0.00 58.87 59.52 3d1d n SER 484 Cb 0.44 -1.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.02 3d1d n SER 484 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3d1d n GLU 485 N -0.48 2.02 -3.81 4.33 1.02 -1.26 -5.07 120.64 117.40 3d1d n GLU 485 Ca 0.12 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.89 3d1d n GLU 485 Cb 0.44 -0.73 -0.13 0.00 -0.02 0.00 0.00 31.44 31.00 3d1d n GLU 485 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3d1d s LYS 486 N -1.38 3.38 -0.24 3.49 1.02 -1.26 -5.07 119.74 119.69 3d1d s LYS 486 Ca 0.00 -0.65 -0.32 0.00 0.02 0.00 0.00 55.97 55.02 3d1d s LYS 486 Cb 0.00 -3.24 0.16 0.00 -0.52 0.00 0.00 37.83 34.24 3d1d s LYS 486 CO 0.00 -0.27 1.25 -0.59 -0.92 0.00 0.00 175.35 174.82 3d1d s PHE 487 N 1.53 -0.12 0.37 3.18 -0.12 -1.26 -4.92 117.98 116.64 3d1d s PHE 487 Ca 0.05 0.16 -0.27 0.00 -0.05 0.00 0.00 56.93 56.81 3d1d s PHE 487 Cb -0.15 0.49 -0.11 0.00 -0.63 0.00 0.00 43.02 42.62 3d1d s PHE 487 CO 0.01 -0.14 1.34 -2.30 -0.05 0.00 0.00 175.22 174.09 3d1d n PRO 488 N 0.33 2.23 -4.95 1.99 -0.02 -1.26 -4.91 135.00 128.41 3d1d n PRO 488 Ca -0.01 0.79 -0.32 0.00 -2.02 0.00 0.00 63.50 61.93 3d1d n PRO 488 Cb 0.58 -2.44 -0.15 0.00 -0.02 0.00 0.00 33.50 31.48 3d1d n PRO 488 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3d1d s ILE 489 N -1.13 2.72 -0.23 4.25 1.01 -1.26 -1.20 121.20 125.36 3d1d s ILE 489 Ca 0.56 -0.80 -0.03 0.00 0.00 0.00 0.00 60.65 60.38 3d1d s ILE 489 Cb -0.53 -2.09 0.10 0.00 0.01 0.00 0.00 42.46 39.95 3d1d s ILE 489 CO 0.62 0.55 0.20 -1.58 0.00 0.00 0.00 174.94 174.72 3d1d s GLN 490 N 0.13 0.19 0.21 2.79 0.74 -0.47 -4.82 119.66 118.44 3d1d s GLN 490 Ca -0.09 -0.03 -0.30 0.00 0.05 0.00 0.00 55.36 55.00 3d1d s GLN 490 Cb -0.15 -1.20 -0.08 0.00 1.10 0.00 0.00 33.01 32.67 3d1d s GLN 490 CO 0.05 -0.79 1.14 -2.00 -0.55 0.00 0.00 175.29 173.15 3d1d s GLU 491 N 2.26 4.56 -0.65 1.67 2.12 -1.26 -4.45 118.70 122.96 3d1d s GLU 491 Ca 0.07 1.82 -0.08 0.00 0.36 0.00 0.00 54.97 57.13 3d1d s GLU 491 Cb -0.15 -3.23 0.01 0.00 0.26 0.00 0.00 34.13 31.01 3d1d s GLU 491 CO -0.20 0.04 0.65 0.09 -0.54 0.00 0.00 175.26 175.31 3d1d n ASN 492 N 2.04 -7.00 -4.68 -1.70 4.13 -1.26 -4.99 115.26 101.81 3d1d n ASN 492 Ca 0.02 -0.11 -0.40 0.00 1.68 0.00 0.00 54.58 55.77 3d1d n ASN 492 Cb 0.45 -4.21 -0.05 0.00 -1.54 0.00 0.00 39.78 34.43 3d1d n ASN 492 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 3d1d s GLN 493 N -3.23 4.29 0.08 3.52 -0.21 -1.26 -5.00 119.66 117.85 3d1d s GLN 493 Ca 0.11 0.80 -0.31 0.00 0.02 0.00 0.00 55.36 55.97 3d1d s GLN 493 Cb -0.02 -3.55 -0.17 0.00 1.00 0.00 0.00 33.01 30.27 3d1d s GLN 493 CO 0.80 -0.21 0.74 -2.30 -2.12 0.00 0.00 175.29 172.21 3d1d n PRO 494 N 4.85 0.00 -0.30 2.91 -0.02 -1.26 -4.75 135.00 136.43 3d1d n PRO 494 Ca 0.01 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.54 3d1d n PRO 494 Cb 0.50 -1.15 0.26 0.00 -0.02 0.00 0.00 33.50 33.08 3d1d n PRO 494 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3d1d h LEU 495 N 1.90 0.88 -0.12 2.45 5.85 -1.99 -2.17 115.31 122.10 3d1d h LEU 495 Ca -0.37 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.37 3d1d h LEU 495 Cb 1.29 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 3d1d h LEU 495 CO 0.55 0.54 0.08 -0.65 -0.34 0.00 0.00 178.44 178.62 3d1d h PRO 496 N 0.98 0.16 -0.62 5.25 0.11 -1.99 -0.13 132.00 135.76 3d1d h PRO 496 Ca 0.41 -0.01 0.09 0.00 0.11 0.00 0.00 66.00 66.60 3d1d h PRO 496 Cb 0.28 -0.04 -0.07 0.00 0.11 0.00 0.00 31.00 31.29 3d1d h PRO 496 CO -0.16 0.12 0.25 0.93 -0.21 0.00 0.00 178.00 178.93 3d1d h GLU 497 N 0.16 0.44 0.15 1.05 3.07 -1.80 0.42 114.58 118.07 3d1d h GLU 497 Ca 0.04 -0.03 0.01 0.00 -0.50 0.00 0.00 59.36 58.89 3d1d h GLU 497 Cb -0.01 -0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 27.78 3d1d h GLU 497 CO -0.01 0.29 -0.23 1.96 -1.40 0.00 0.00 179.01 179.62 3d1d h GLN 498 N 0.45 -0.43 -0.67 2.33 1.08 -0.91 -1.17 115.11 115.80 3d1d h GLN 498 Ca 0.31 0.03 0.15 0.00 -1.45 0.00 0.00 58.65 57.69 3d1d h GLN 498 Cb 0.36 0.10 -0.04 0.00 -0.05 0.00 0.00 27.48 27.85 3d1d h GLN 498 CO -0.29 -0.29 0.46 -0.07 -0.95 0.00 0.00 178.83 177.69 3d1d h LEU 499 N -0.44 0.24 0.08 1.46 3.38 -0.06 0.20 115.31 120.16 3d1d h LEU 499 Ca 0.02 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 3d1d h LEU 499 Cb 0.45 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3d1d h LEU 499 CO -0.11 0.13 -0.04 -0.03 0.09 0.00 0.00 178.44 178.48 3d1d h MET 500 N 0.26 -0.10 0.34 1.13 4.05 0.12 -1.15 114.93 119.58 3d1d h MET 500 Ca 0.32 0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.75 3d1d h MET 500 Cb 0.91 0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.71 3d1d h MET 500 CO -0.07 0.11 -0.29 0.35 0.23 0.00 0.00 176.91 177.24 3d1d h PHE 501 N -0.29 -0.77 -0.33 1.39 3.57 0.10 -2.55 116.94 118.05 3d1d h PHE 501 Ca -0.01 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 3d1d h PHE 501 Cb 0.25 0.29 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 3d1d h PHE 501 CO -0.01 -0.42 0.20 -0.07 -2.23 0.00 0.00 178.31 175.77 3d1d h LEU 502 N -0.64 0.38 -0.55 0.59 3.38 -1.10 -0.60 115.31 116.78 3d1d h LEU 502 Ca -0.02 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 3d1d h LEU 502 Cb 0.57 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 3d1d h LEU 502 CO -0.03 0.29 0.15 -1.28 0.09 0.00 0.00 178.44 177.66 3d1d h SER 503 N 0.45 0.82 0.40 -0.43 0.87 -0.91 0.49 113.55 115.24 3d1d h SER 503 Ca 0.12 -0.22 -0.02 0.00 -1.23 0.00 0.00 61.79 60.44 3d1d h SER 503 Cb -0.02 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 61.73 3d1d h SER 503 CO -0.02 0.83 -0.19 0.78 -0.53 0.00 0.00 176.83 177.70 3d1d h ASN 504 N 0.77 -0.45 -1.06 6.23 2.35 -1.04 -3.03 115.58 119.35 3d1d h ASN 504 Ca 0.17 -0.13 0.29 0.00 -0.55 0.00 0.00 56.30 56.09 3d1d h ASN 504 Cb 0.32 0.12 -0.12 0.00 0.05 0.00 0.00 38.32 38.69 3d1d h ASN 504 CO -0.00 -0.06 0.66 0.25 -1.65 0.00 0.00 177.43 176.63 3d1d h LEU 505 N -0.92 0.49 -1.03 1.61 5.85 -1.06 0.75 115.31 121.00 3d1d h LEU 505 Ca -0.05 0.12 0.12 0.00 0.84 0.00 0.00 57.88 58.90 3d1d h LEU 505 Cb 0.55 0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.55 3d1d h LEU 505 CO 0.09 0.01 0.63 -0.08 -0.34 0.00 0.00 178.44 178.75 3d1d h GLU 506 N 0.39 0.97 -0.68 1.25 4.22 -0.77 -1.90 114.58 118.06 3d1d h GLU 506 Ca 0.66 -0.06 -0.03 0.00 0.08 0.00 0.00 59.36 60.02 3d1d h GLU 506 Cb 1.62 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 30.63 3d1d h GLU 506 CO -0.41 0.64 0.04 1.63 -2.18 0.00 0.00 179.01 178.72 3d1d n LYS 507 N -4.60 4.03 -1.87 1.92 5.02 0.26 -4.99 118.16 117.93 3d1d n LYS 507 Ca 0.18 -2.56 -0.31 0.00 -2.02 0.00 0.00 58.31 53.61 3d1d n LYS 507 Cb 0.34 -2.12 0.02 0.00 -0.02 0.00 0.00 35.03 33.26 3d1d n LYS 507 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3d1d s GLN 508 N -2.45 3.40 0.70 1.97 -1.52 -0.71 -5.06 119.66 115.98 3d1d s GLN 508 Ca 0.44 0.68 -0.12 0.00 -1.95 0.00 0.00 55.36 54.42 3d1d s GLN 508 Cb 0.34 -2.06 0.02 0.00 -0.22 0.00 0.00 33.01 31.08 3d1d s GLN 508 CO 0.13 -0.70 1.07 0.95 -0.25 0.00 0.00 175.29 176.49 3d1d s THR 509 N -3.22 3.76 0.01 -0.19 -4.23 -1.26 -4.67 115.64 105.83 3d1d s THR 509 Ca 0.56 0.62 -0.02 0.00 -1.18 0.00 0.00 61.69 61.67 3d1d s THR 509 Cb -0.11 -3.25 -0.00 0.00 1.34 0.00 0.00 72.50 70.48 3d1d s THR 509 CO 0.53 -0.70 0.94 -2.65 -0.54 0.00 0.00 174.62 172.21 3d1d n PRO 510 N -3.05 -0.02 -0.07 3.99 -0.02 -1.26 -0.67 135.00 133.90 3d1d n PRO 510 Ca 0.08 0.94 -0.07 0.00 -2.02 0.00 0.00 63.50 62.44 3d1d n PRO 510 Cb 0.53 -1.41 -0.01 0.00 -0.02 0.00 0.00 33.50 32.60 3d1d n PRO 510 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 3d1d h PHE 511 N 0.00 -0.45 -0.51 6.00 3.57 -1.96 -1.18 116.94 122.42 3d1d h PHE 511 Ca 0.01 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.51 3d1d h PHE 511 Cb 0.02 0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 3d1d h PHE 511 CO -0.86 -0.25 0.16 0.00 -2.23 0.00 0.00 178.31 175.12 3d1d h ALA 512 N 1.04 1.33 -0.32 2.41 0.00 -1.75 -2.09 119.26 119.88 3d1d h ALA 512 Ca 0.16 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 3d1d h ALA 512 Cb 0.39 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3d1d h ALA 512 CO -0.39 0.49 -0.38 -0.22 0.00 0.00 0.00 179.25 178.75 3d1d h LYS 513 N 0.74 0.75 -0.48 0.00 3.64 -0.33 -0.16 116.57 120.72 3d1d h LYS 513 Ca 0.17 -0.38 -0.05 0.00 -1.27 0.00 0.00 60.65 59.12 3d1d h LYS 513 Cb 0.22 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 3d1d h LYS 513 CO -0.01 1.00 0.11 0.00 -2.27 0.00 0.00 179.45 178.29 3d1d h ALA 514 N 0.95 0.64 -0.04 5.00 0.00 -0.95 -2.21 119.26 122.64 3d1d h ALA 514 Ca 0.05 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3d1d h ALA 514 Cb 0.93 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 3d1d h ALA 514 CO 0.09 0.33 0.01 0.28 0.00 0.00 0.00 179.25 179.96 3d1d h VAL 515 N 0.66 1.19 -0.80 0.00 2.07 -1.24 -2.74 116.25 115.39 3d1d h VAL 515 Ca 0.15 -0.58 0.11 0.00 0.82 0.00 0.00 66.70 67.20 3d1d h VAL 515 Cb 0.34 1.50 -0.08 0.00 -1.52 0.00 0.00 31.29 31.53 3d1d h VAL 515 CO 0.00 0.16 0.43 1.23 0.02 0.00 0.00 177.57 179.41 3d1d h GLY 516 N -0.15 1.24 1.11 2.17 0.00 -0.96 0.00 103.07 106.48 3d1d h GLY 516 Ca 0.01 -0.27 -0.07 0.00 0.00 0.00 0.00 47.33 47.00 3d1d h GLY 516 CO 0.00 0.07 0.12 1.76 0.00 0.00 0.00 176.54 178.50 3d1d h SER 517 N 0.70 1.04 -0.11 0.19 0.02 -1.33 0.20 113.55 114.26 3d1d h SER 517 Ca 0.40 -0.24 -0.04 0.00 -0.84 0.00 0.00 61.79 61.07 3d1d h SER 517 Cb 0.43 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.69 3d1d h SER 517 CO -0.28 1.02 -0.08 0.28 -1.14 0.00 0.00 176.83 176.63 3d1d h SER 518 N 1.02 0.26 -0.95 3.07 0.02 -1.13 -3.07 113.55 112.77 3d1d h SER 518 Ca 0.21 -0.45 0.08 0.00 -0.84 0.00 0.00 61.79 60.79 3d1d h SER 518 Cb 0.41 -0.07 -0.07 0.00 0.14 0.00 0.00 62.40 62.81 3d1d h SER 518 CO 0.01 0.65 0.61 0.40 -1.14 0.00 0.00 176.83 177.36 3d1d h ILE 519 N -0.13 1.04 -0.85 3.27 1.08 -0.86 -1.59 117.51 119.46 3d1d h ILE 519 Ca 0.02 -0.36 0.04 0.00 -0.39 0.00 0.00 64.86 64.17 3d1d h ILE 519 Cb 0.56 -0.11 -0.05 0.00 -3.07 0.00 0.00 36.82 34.16 3d1d h ILE 519 CO 0.02 0.19 0.56 0.22 -0.69 0.00 0.00 178.15 178.45 3d1d h TYR 520 N 1.05 1.00 0.00 1.37 3.20 -0.51 0.13 116.97 123.21 3d1d h TYR 520 Ca 0.42 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.32 3d1d h TYR 520 Cb 0.27 -0.33 -0.00 0.00 1.54 0.00 0.00 36.73 38.20 3d1d h TYR 520 CO -0.00 0.57 -0.00 0.87 -1.64 0.00 0.00 178.16 177.96 3d1d h LYS 521 N 1.03 0.00 0.03 1.82 1.57 -1.21 0.30 116.57 120.11 3d1d h LYS 521 Ca 0.35 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.88 3d1d h LYS 521 Cb 0.08 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 3d1d h LYS 521 CO -0.11 0.00 -1.25 -0.07 -0.57 0.00 0.00 179.45 177.45 3d1d h LEU 522 N 0.00 0.10 0.35 2.94 3.38 -0.78 -0.83 115.31 120.46 3d1d h LEU 522 Ca -0.00 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 3d1d h LEU 522 Cb 0.01 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3d1d h LEU 522 CO 0.00 1.10 -0.17 0.58 0.09 0.00 0.00 178.44 180.04 3d1d h VAL 523 N 0.02 0.66 -0.13 1.22 2.07 -0.07 0.38 116.25 120.40 3d1d h VAL 523 Ca -0.12 -0.38 -0.13 0.00 0.82 0.00 0.00 66.70 66.89 3d1d h VAL 523 Cb 1.88 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 32.51 3d1d h VAL 523 CO 0.13 0.07 -0.44 0.71 0.02 0.00 0.00 177.57 178.07 3d1d h THR 524 N -0.68 1.36 -0.01 2.57 1.35 -1.46 -1.54 112.91 114.50 3d1d h THR 524 Ca -0.05 -1.73 -0.26 0.00 -0.55 0.00 0.00 66.41 63.82 3d1d h THR 524 Cb 0.48 2.08 0.02 0.00 -1.73 0.00 0.00 68.15 69.00 3d1d h THR 524 CO 0.08 0.52 -1.02 1.23 -0.25 0.00 0.00 175.52 176.08 3d1d h GLY 525 N 0.15 0.78 0.00 5.82 0.00 -1.18 -3.38 103.07 105.25 3d1d h GLY 525 Ca -0.02 -1.34 0.00 0.00 0.00 0.00 0.00 47.33 45.97 3d1d h GLY 525 CO 0.09 1.18 0.00 0.28 0.00 0.00 0.00 176.54 178.10 3d1d n LYS 526 N -3.85 1.82 -2.47 4.80 5.02 0.12 -4.99 118.16 118.60 3d1d n LYS 526 Ca -0.10 -1.20 -0.11 0.00 -2.02 0.00 0.00 58.31 54.88 3d1d n LYS 526 Cb 0.87 -1.00 0.01 0.00 -0.02 0.00 0.00 35.03 34.89 3d1d n LYS 526 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3d1d n ASN 527 N -0.35 -3.63 -4.69 4.39 5.03 -0.58 -4.86 115.26 110.57 3d1d n ASN 527 Ca 0.00 -0.09 -0.42 0.00 0.87 0.00 0.00 54.58 54.94 3d1d n ASN 527 Cb 0.18 -2.65 -0.03 0.00 -1.02 0.00 0.00 39.78 36.26 3d1d n ASN 527 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 3d1d s LEU 528 N -3.29 4.39 0.32 3.41 0.20 -0.37 -1.37 118.68 121.97 3d1d s LEU 528 Ca 0.10 2.66 -0.28 0.00 0.69 0.00 0.00 54.13 57.29 3d1d s LEU 528 Cb -0.04 -3.57 -0.13 0.00 -0.43 0.00 0.00 46.19 42.02 3d1d s LEU 528 CO 0.12 -0.96 1.24 -0.24 -0.29 0.00 0.00 176.35 176.22 3d1d n SER 529 N 5.60 2.46 -0.18 3.68 2.88 -0.34 -4.20 113.62 123.51 3d1d n SER 529 Ca 0.17 1.20 -0.05 0.00 -1.33 0.00 0.00 58.87 58.85 3d1d n SER 529 Cb 0.39 -1.44 0.11 0.00 -0.75 0.00 0.00 64.21 62.53 3d1d n SER 529 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 3d1d h LEU 530 N 2.60 0.91 -0.63 2.46 5.85 -1.90 -1.96 115.31 122.63 3d1d h LEU 530 Ca -0.45 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.06 3d1d h LEU 530 Cb 1.29 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 42.05 3d1d h LEU 530 CO 0.63 0.91 0.35 0.44 -0.34 0.00 0.00 178.44 180.43 3d1d h ASP 531 N 0.90 0.79 -0.13 1.25 3.32 -1.97 0.14 116.42 120.72 3d1d h ASP 531 Ca 0.18 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 3d1d h ASP 531 Cb 0.40 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 3d1d h ASP 531 CO 0.01 0.65 0.08 0.15 -1.72 0.00 0.00 179.24 178.41 3d1d h PHE 532 N 0.86 0.17 -0.55 4.55 3.57 -1.87 0.20 116.94 123.86 3d1d h PHE 532 Ca 0.22 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.70 3d1d h PHE 532 Cb 0.04 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.70 3d1d h PHE 532 CO -0.01 0.16 0.27 0.00 -2.23 0.00 0.00 178.31 176.51 3d1d h ALA 533 N 0.99 1.44 -0.39 2.41 0.00 -1.17 0.07 119.26 122.61 3d1d h ALA 533 Ca 0.05 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 3d1d h ALA 533 Cb 0.05 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3d1d h ALA 533 CO -0.01 0.45 -0.01 1.03 0.00 0.00 0.00 179.25 180.71 3d1d h SER 534 N 0.78 0.58 0.20 0.00 0.87 0.19 -1.66 113.55 114.52 3d1d h SER 534 Ca 0.19 -0.12 -0.27 0.00 -1.23 0.00 0.00 61.79 60.36 3d1d h SER 534 Cb 0.07 -0.15 0.02 0.00 -0.44 0.00 0.00 62.40 61.90 3d1d h SER 534 CO -0.03 0.66 -1.14 1.56 -0.53 0.00 0.00 176.83 177.35 3d1d h GLN 535 N 0.58 0.56 0.00 2.24 4.20 0.86 -2.30 115.11 121.26 3d1d h GLN 535 Ca 0.12 -0.70 -0.03 0.00 0.06 0.00 0.00 58.65 58.11 3d1d h GLN 535 Cb 0.39 0.22 -0.00 0.00 0.30 0.00 0.00 27.48 28.38 3d1d h GLN 535 CO 0.01 1.29 -0.12 0.82 -0.67 0.00 0.00 178.83 180.17 3d1d h ILE 536 N 0.27 0.95 -0.11 2.54 1.08 -0.87 0.12 117.51 121.49 3d1d h ILE 536 Ca -0.15 -0.44 -0.15 0.00 -0.39 0.00 0.00 64.86 63.73 3d1d h ILE 536 Cb 1.80 1.25 0.01 0.00 -3.07 0.00 0.00 36.82 36.81 3d1d h ILE 536 CO 0.21 0.12 -0.51 0.25 -0.69 0.00 0.00 178.15 177.53 3d1d h LEU 537 N 0.00 0.64 -0.84 1.44 5.85 -1.20 -0.85 115.31 120.35 3d1d h LEU 537 Ca -0.00 -0.64 0.03 0.00 0.84 0.00 0.00 57.88 58.12 3d1d h LEU 537 Cb 0.24 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.03 3d1d h LEU 537 CO 0.02 1.17 0.54 0.50 -0.34 0.00 0.00 178.44 180.32 3d1d h LYS 538 N 0.15 1.01 -0.04 1.25 3.64 -0.74 -1.38 116.57 120.48 3d1d h LYS 538 Ca -0.03 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.28 3d1d h LYS 538 Cb 1.15 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 32.74 3d1d h LYS 538 CO 0.11 0.67 0.01 1.49 -2.27 0.00 0.00 179.45 179.46 3d1d h GLU 539 N 1.04 0.06 -0.54 1.90 4.81 -0.96 -2.33 114.58 118.56 3d1d h GLU 539 Ca 0.33 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.56 3d1d h GLU 539 Cb 0.01 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 3d1d h GLU 539 CO -0.12 0.22 0.36 0.00 -0.73 0.00 0.00 179.01 178.74 3d1d h ALA 540 N 0.83 1.63 -0.40 2.92 0.00 -0.81 -2.18 119.26 121.26 3d1d h ALA 540 Ca 0.01 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 3d1d h ALA 540 Cb 0.18 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3d1d h ALA 540 CO -0.00 0.33 -0.15 1.03 0.00 0.00 0.00 179.25 180.46 3d1d h SER 541 N 0.71 0.73 -0.54 0.00 0.87 -1.01 -2.77 113.55 111.54 3d1d h SER 541 Ca 0.20 -0.23 -0.03 0.00 -1.23 0.00 0.00 61.79 60.51 3d1d h SER 541 Cb -0.06 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.68 3d1d h SER 541 CO -0.05 0.89 0.23 0.40 -0.53 0.00 0.00 176.83 177.78 3d1d h ILE 542 N 0.66 1.21 -0.34 2.23 2.04 -0.84 -2.68 117.51 119.78 3d1d h ILE 542 Ca 0.11 -0.63 -0.06 0.00 1.00 0.00 0.00 64.86 65.27 3d1d h ILE 542 Cb 0.62 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 3d1d h ILE 542 CO 0.04 0.24 -0.06 -0.07 0.00 0.00 0.00 178.15 178.31 3d1d h LEU 543 N 0.73 0.54 0.00 1.44 3.38 -1.44 -3.52 115.31 116.43 3d1d h LEU 543 Ca 0.18 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3d1d h LEU 543 Cb 0.16 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3d1d h LEU 543 CO -0.02 0.65 0.00 1.21 0.09 0.00 0.00 178.44 180.37