#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d1d n ASP 437 N 0.00 0.96 -0.10 0.53 8.00 -1.26 -4.49 116.55 120.19 3d1d n ASP 437 Ca 0.00 0.14 -0.06 0.00 0.71 0.00 0.00 54.79 55.58 3d1d n ASP 437 Cb 0.00 -0.32 -0.05 0.00 -0.02 0.00 0.00 41.12 40.73 3d1d n ASP 437 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3d1d h LEU 438 N -0.19 -0.91 -0.63 0.64 6.46 -2.05 0.13 115.31 118.76 3d1d h LEU 438 Ca -0.05 0.13 -0.12 0.00 -0.12 0.00 0.00 57.88 57.71 3d1d h LEU 438 Cb 0.51 0.38 -0.01 0.00 -0.73 0.00 0.00 40.66 40.81 3d1d h LEU 438 CO -0.03 -0.17 -0.27 1.88 -0.62 0.00 0.00 178.44 179.24 3d1d h TYR 439 N -0.14 0.91 -0.19 1.25 -1.99 -1.99 -1.54 116.97 113.28 3d1d h TYR 439 Ca 0.04 -0.22 -0.07 0.00 2.00 0.00 0.00 58.73 60.48 3d1d h TYR 439 Cb 0.26 -0.21 -0.01 0.00 2.00 0.00 0.00 36.73 38.76 3d1d h TYR 439 CO -0.74 0.97 -0.20 0.82 -0.00 0.00 0.00 178.16 179.01 3d1d h ILE 440 N 0.68 1.23 -0.18 -2.88 1.08 -1.74 0.11 117.51 115.81 3d1d h ILE 440 Ca 0.08 -1.06 -0.21 0.00 -0.39 0.00 0.00 64.86 63.29 3d1d h ILE 440 Cb 0.79 1.30 0.01 0.00 -3.07 0.00 0.00 36.82 35.85 3d1d h ILE 440 CO 0.07 0.33 -0.71 0.78 -0.69 0.00 0.00 178.15 177.92 3d1d h ASN 441 N 0.31 0.90 -0.29 1.72 2.35 -0.52 -2.93 115.58 117.11 3d1d h ASN 441 Ca 0.05 -0.56 -0.12 0.00 -0.55 0.00 0.00 56.30 55.13 3d1d h ASN 441 Cb 0.53 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 3d1d h ASN 441 CO 0.04 1.35 -0.22 -0.50 -1.65 0.00 0.00 177.43 176.44 3d1d h TRP 442 N 0.55 0.88 -0.20 1.19 6.55 -0.94 -2.03 115.95 121.94 3d1d h TRP 442 Ca -0.03 -0.20 0.06 0.00 0.95 0.00 0.00 58.89 59.67 3d1d h TRP 442 Cb 1.33 -0.21 -0.01 0.00 -0.86 0.00 0.00 29.16 29.41 3d1d h TRP 442 CO 0.08 0.92 0.16 1.25 -1.05 0.00 0.00 178.44 179.81 3d1d h LEU 443 N 0.67 0.00 0.00 -4.49 5.85 -0.70 0.40 115.31 117.04 3d1d h LEU 443 Ca 0.09 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 3d1d h LEU 443 Cb 0.73 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 3d1d h LEU 443 CO 0.06 0.00 -0.87 0.11 -0.34 0.00 0.00 178.44 177.40 3d1d h LYS 444 N 0.00 0.00 0.00 1.25 1.57 -1.23 -3.26 116.57 114.91 3d1d h LYS 444 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3d1d h LYS 444 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 3d1d h LYS 444 CO -0.00 0.09 0.00 0.43 -0.57 0.00 0.00 179.45 179.40 3d1d n SER 445 N -2.83 0.00 -4.61 0.86 7.64 0.12 -4.61 113.62 110.18 3d1d n SER 445 Ca -0.01 -0.07 -0.42 0.00 1.01 0.00 0.00 58.87 59.39 3d1d n SER 445 Cb 0.62 -0.26 -0.05 0.00 -1.01 0.00 0.00 64.21 63.51 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 -2.51 4.10 0.35 -3.43 1.43 -1.14 -4.94 118.68 112.53 3d1d s LEU 446 Ca 0.20 0.61 0.12 0.00 -1.03 0.00 0.00 54.13 54.03 3d1d s LEU 446 Cb 0.14 -3.02 0.92 0.00 0.03 0.00 0.00 46.19 44.26 3d1d s LEU 446 CO 0.30 -0.59 1.78 0.77 0.23 0.00 0.00 176.35 178.84 3d1d h SER 447 N 8.14 0.61 0.23 2.29 4.64 -1.91 0.78 113.55 128.33 3d1d h SER 447 Ca -0.25 0.09 -0.04 0.00 -0.47 0.00 0.00 61.79 61.12 3d1d h SER 447 Cb 1.10 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.17 3d1d h SER 447 CO 0.87 0.17 -0.20 0.15 -0.87 0.00 0.00 176.83 176.95 3d1d h PHE 448 N 0.57 0.00 -0.05 4.77 3.57 -1.95 0.47 116.94 124.32 3d1d h PHE 448 Ca 0.58 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.97 3d1d h PHE 448 Cb 1.18 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.92 3d1d h PHE 448 CO -0.00 0.20 -0.41 0.35 -2.23 0.00 0.00 178.31 176.22 3d1d h PHE 449 N 0.00 0.51 -0.37 0.41 3.04 0.22 -3.19 116.94 117.56 3d1d h PHE 449 Ca -0.00 -0.24 -0.08 0.00 3.98 0.00 0.00 57.97 61.62 3d1d h PHE 449 Cb 0.37 -0.07 -0.02 0.00 2.56 0.00 0.00 35.95 38.79 3d1d h PHE 449 CO 0.00 1.01 -0.12 1.96 -2.02 0.00 0.00 178.31 179.14 3d1d h GLN 450 N -0.14 0.66 0.00 1.11 4.20 -0.25 -2.81 115.11 117.88 3d1d h GLN 450 Ca -0.04 -0.21 0.00 0.00 0.06 0.00 0.00 58.65 58.47 3d1d h GLN 450 Cb 1.09 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.80 3d1d h GLN 450 CO 0.08 0.76 0.00 0.25 -0.67 0.00 0.00 178.83 179.25 3d1d n THR 451 N -4.18 0.14 -3.72 -0.54 -2.24 0.16 -4.40 114.28 99.50 3d1d n THR 451 Ca 0.01 0.03 -0.37 0.00 -2.27 0.00 0.00 64.05 61.45 3d1d n THR 451 Cb 0.35 -0.57 -0.10 0.00 -2.10 0.00 0.00 70.33 67.92 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 -3.03 5.26 0.42 3.42 -0.87 -1.06 -4.91 114.94 114.17 3d1d s ASN 452 Ca 0.13 -2.77 0.18 0.00 -1.57 0.00 0.00 52.86 48.83 3d1d s ASN 452 Cb 0.18 -1.86 1.10 0.00 -0.02 0.00 0.00 41.25 40.65 3d1d s ASN 452 CO 0.50 -0.39 1.86 0.77 -2.57 0.00 0.00 177.10 177.27 3d1d h SER 453 N 7.14 0.39 -0.98 -1.22 4.64 -1.78 0.14 113.55 121.88 3d1d h SER 453 Ca -0.03 0.04 0.20 0.00 -0.47 0.00 0.00 61.79 61.54 3d1d h SER 453 Cb 0.96 -0.03 -0.09 0.00 -0.31 0.00 0.00 62.40 62.93 3d1d h SER 453 CO 0.71 0.16 0.62 0.28 -0.87 0.00 0.00 176.83 177.73 3d1d h SER 454 N 0.39 0.63 0.18 4.97 0.02 -1.91 -0.57 113.55 117.26 3d1d h SER 454 Ca 0.47 0.08 -0.28 0.00 -0.84 0.00 0.00 61.79 61.21 3d1d h SER 454 Cb 1.19 -0.04 0.02 0.00 0.14 0.00 0.00 62.40 63.71 3d1d h SER 454 CO -0.17 0.22 -1.18 0.00 -1.14 0.00 0.00 176.83 174.56 3d1d h ALA 456 N 0.39 -0.42 -0.87 0.00 0.00 -0.97 0.24 119.26 117.64 3d1d h ALA 456 Ca -0.16 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3d1d h ALA 456 Cb 1.84 0.46 -0.04 0.00 0.00 0.00 0.00 17.79 20.06 3d1d h ALA 456 CO 0.22 -0.79 0.55 0.93 0.00 0.00 0.00 179.25 180.15 3d1d h GLU 457 N -0.45 1.16 0.36 0.00 5.08 -1.31 -2.07 114.58 117.35 3d1d h GLU 457 Ca 0.05 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 3d1d h GLU 457 Cb 0.51 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3d1d h GLU 457 CO -0.20 0.79 -0.17 0.00 -1.00 0.00 0.00 179.01 178.43 3d1d h ALA 458 N 1.42 -0.48 -0.71 3.43 0.00 -0.67 -2.36 119.26 119.89 3d1d h ALA 458 Ca 0.31 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.22 3d1d h ALA 458 Cb -0.09 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 3d1d h ALA 458 CO -0.06 -0.77 0.47 1.25 0.00 0.00 0.00 179.25 180.14 3d1d h LEU 459 N -0.49 0.52 0.38 0.00 5.85 -0.68 0.04 115.31 120.93 3d1d h LEU 459 Ca -0.05 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 3d1d h LEU 459 Cb 0.37 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 3d1d h LEU 459 CO 0.08 0.31 -0.32 0.58 -0.34 0.00 0.00 178.44 178.75 3d1d h VAL 460 N 0.57 0.34 0.00 1.05 2.07 -1.00 0.32 116.25 119.61 3d1d h VAL 460 Ca 0.33 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.85 3d1d h VAL 460 Cb 0.53 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 3d1d h VAL 460 CO -0.11 0.00 0.00 0.29 0.02 0.00 0.00 177.57 177.77 3d1d n LYS 461 N -5.44 0.64 -0.04 1.57 5.02 -0.65 -3.92 118.16 115.35 3d1d n LYS 461 Ca -0.10 0.02 -0.05 0.00 -2.02 0.00 0.00 58.31 56.16 3d1d n LYS 461 Cb 0.34 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.80 3d1d n LYS 461 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3d1d n VAL 462 N -1.13 0.50 -0.07 -0.18 0.31 -0.09 -4.69 118.33 112.98 3d1d n VAL 462 Ca 0.17 -0.26 0.24 0.00 -0.01 0.00 0.00 64.34 64.48 3d1d n VAL 462 Cb 0.15 -0.82 0.70 0.00 -0.91 0.00 0.00 33.84 32.97 3d1d n VAL 462 CO 0.00 0.00 0.00 -0.29 -1.32 0.00 0.00 176.83 175.22 3d1d h ILE 463 N 0.00 0.66 -0.60 2.52 2.10 -0.49 -2.14 117.51 119.55 3d1d h ILE 463 Ca -0.20 0.00 0.05 0.00 1.08 0.00 0.00 64.86 65.79 3d1d h ILE 463 Cb 1.39 0.66 -0.05 0.00 -1.09 0.00 0.00 36.82 37.73 3d1d h ILE 463 CO -0.01 0.00 0.33 -0.65 -1.08 0.00 0.00 178.15 176.74 3d1d h PRO 464 N 0.00 0.61 0.00 2.19 0.11 -1.82 -0.07 132.00 133.02 3d1d h PRO 464 Ca 0.32 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.36 3d1d h PRO 464 Cb 1.29 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 3d1d h PRO 464 CO -0.00 0.40 -0.16 0.45 -0.21 0.00 0.00 178.00 178.48 3d1d h HIS 465 N 0.63 0.00 -0.07 0.65 3.86 -1.71 0.11 115.15 118.61 3d1d h HIS 465 Ca 0.26 0.00 -0.23 0.00 -1.16 0.00 0.00 60.37 59.24 3d1d h HIS 465 Cb 0.14 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.62 3d1d h HIS 465 CO -0.08 0.16 -0.88 -0.92 0.86 0.00 0.00 177.93 177.06 3d1d h TYR 466 N 0.00 0.93 0.00 2.45 3.20 -1.16 -1.79 116.97 120.60 3d1d h TYR 466 Ca -0.00 -0.45 0.00 0.00 3.14 0.00 0.00 58.73 61.41 3d1d h TYR 466 Cb 0.51 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.66 3d1d h TYR 466 CO 0.00 1.28 0.00 0.45 -1.64 0.00 0.00 178.16 178.25 3d1d h HIS 467 N 0.41 0.00 -0.52 -3.82 3.86 -0.06 -3.10 115.15 111.93 3d1d h HIS 467 Ca -0.08 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.13 3d1d h HIS 467 Cb 1.51 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.98 3d1d h HIS 467 CO 0.08 0.00 0.00 0.09 0.86 0.00 0.00 177.93 178.96 3d1d n ASN 468 N -2.79 5.05 -1.56 2.45 3.02 0.28 -4.96 115.26 116.74 3d1d n ASN 468 Ca 0.03 -2.82 -0.16 0.00 -0.03 0.00 0.00 54.58 51.60 3d1d n ASN 468 Cb 0.41 -0.62 -0.06 0.00 -0.61 0.00 0.00 39.78 38.90 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 0.48 -1.41 0.05 3.52 4.76 -1.09 -4.83 118.16 119.65 3d1d n LYS 469 Ca 0.26 0.94 -0.07 0.00 -2.87 0.00 0.00 58.31 56.57 3d1d n LYS 469 Cb 1.04 -5.27 -0.12 0.00 -1.84 0.00 0.00 35.03 28.84 3d1d n LYS 469 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 3d1d h LEU 470 N 0.00 0.00 -8.29 -0.35 3.38 -1.61 -3.46 115.31 104.98 3d1d h LEU 470 Ca -0.34 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.39 3d1d h LEU 470 Cb 1.08 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.65 3d1d h LEU 470 CO 0.48 0.99 -0.71 0.27 0.09 0.00 0.00 178.44 179.56 3d1d s ILE 471 N -2.70 0.57 0.47 1.22 -4.36 -1.09 -5.05 121.20 110.27 3d1d s ILE 471 Ca 0.00 -1.50 0.08 0.00 -0.26 0.00 0.00 60.65 58.98 3d1d s ILE 471 Cb 0.10 -1.13 0.04 0.00 1.25 0.00 0.00 42.46 42.71 3d1d s ILE 471 CO 0.82 -0.64 0.65 1.51 0.24 0.00 0.00 174.94 177.51 3d1d s ASP 472 N -2.31 5.47 0.27 4.36 1.47 -1.26 -4.40 116.67 120.27 3d1d s ASP 472 Ca 0.01 -0.54 -0.01 0.00 1.18 0.00 0.00 52.55 53.19 3d1d s ASP 472 Cb -0.02 -0.37 0.49 0.00 -0.34 0.00 0.00 42.92 42.69 3d1d s ASP 472 CO -0.03 -0.96 1.84 0.15 0.68 0.00 0.00 175.17 176.85 3d1d h PHE 473 N 0.47 1.10 -0.49 2.11 3.57 -1.99 -1.47 116.94 120.24 3d1d h PHE 473 Ca -0.37 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.19 3d1d h PHE 473 Cb 1.28 -0.35 -0.04 0.00 2.79 0.00 0.00 35.95 39.64 3d1d h PHE 473 CO 0.40 0.46 0.28 0.77 -2.23 0.00 0.00 178.31 177.99 3d1d h SER 474 N 0.99 0.44 0.02 0.41 0.02 -1.98 0.72 113.55 114.16 3d1d h SER 474 Ca 0.47 0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 61.34 3d1d h SER 474 Cb 0.41 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 3d1d h SER 474 CO -0.25 0.31 -0.27 1.56 -1.14 0.00 0.00 176.83 177.04 3d1d h GLN 475 N 0.55 0.40 0.00 3.45 4.20 -1.82 0.12 115.11 122.01 3d1d h GLN 475 Ca 0.20 -0.15 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 3d1d h GLN 475 Cb 0.05 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.81 3d1d h GLN 475 CO -0.11 0.64 -0.00 0.28 -0.67 0.00 0.00 178.83 178.97 3d1d h VAL 476 N 0.35 1.07 0.37 -0.54 2.07 -0.26 -0.28 116.25 119.03 3d1d h VAL 476 Ca 0.05 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 3d1d h VAL 476 Cb 0.67 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 3d1d h VAL 476 CO 0.05 0.05 -0.24 -0.07 0.02 0.00 0.00 177.57 177.38 3d1d h LEU 477 N -0.09 -0.61 -0.66 2.57 3.38 -0.50 0.17 115.31 119.56 3d1d h LEU 477 Ca -0.00 0.04 0.14 0.00 0.09 0.00 0.00 57.88 58.15 3d1d h LEU 477 Cb 0.09 0.19 -0.11 0.00 0.09 0.00 0.00 40.66 40.92 3d1d h LEU 477 CO 0.00 -0.38 0.04 -0.61 0.09 0.00 0.00 178.44 177.58 3d1d h GLN 478 N -0.59 0.15 -0.47 1.13 4.15 -0.89 0.18 115.11 118.76 3d1d h GLN 478 Ca -0.04 -0.01 -0.11 0.00 0.77 0.00 0.00 58.65 59.27 3d1d h GLN 478 Cb 0.50 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.14 3d1d h GLN 478 CO 0.03 0.10 -0.12 -0.07 -1.93 0.00 0.00 178.83 176.83 3d1d h LEU 479 N 0.15 0.92 -0.42 -2.39 3.38 -0.67 -1.49 115.31 114.80 3d1d h LEU 479 Ca 0.36 -0.36 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 3d1d h LEU 479 Cb 0.59 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3d1d h LEU 479 CO -0.54 1.07 -0.39 0.58 0.09 0.00 0.00 178.44 179.25 3d1d h VAL 480 N 0.76 1.27 0.00 1.22 2.07 0.29 -3.12 116.25 118.74 3d1d h VAL 480 Ca 0.12 -1.57 0.00 0.00 0.82 0.00 0.00 66.70 66.07 3d1d h VAL 480 Cb 0.67 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 3d1d h VAL 480 CO 0.05 0.52 0.00 0.49 0.02 0.00 0.00 177.57 178.65 3d1d n PHE 481 N -4.05 0.80 0.96 1.57 3.72 0.55 -2.35 117.46 118.66 3d1d n PHE 481 Ca -0.02 0.24 0.12 0.00 -0.05 0.00 0.00 57.45 57.74 3d1d n PHE 481 Cb 0.55 -0.88 0.57 0.00 -0.94 0.00 0.00 39.48 38.77 3d1d n PHE 481 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3d1d n SER 482 N -2.15 0.00 0.03 4.37 3.41 -0.56 -2.98 113.62 115.73 3d1d n SER 482 Ca 0.06 0.37 -0.01 0.00 -0.26 0.00 0.00 58.87 59.03 3d1d n SER 482 Cb 0.41 -0.45 -0.09 0.00 -0.26 0.00 0.00 64.21 63.81 3d1d n SER 482 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3d1d n ALA 483 N -1.45 1.91 -0.79 7.33 0.00 -0.99 -4.97 120.51 121.54 3d1d n ALA 483 Ca 0.08 -0.57 -0.33 0.00 0.00 0.00 0.00 53.44 52.62 3d1d n ALA 483 Cb 0.28 -0.94 0.12 0.00 0.00 0.00 0.00 19.45 18.92 3d1d n ALA 483 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3d1d n SER 484 N -2.88 -2.40 0.00 0.00 3.41 -1.16 -4.60 113.62 105.99 3d1d n SER 484 Ca -0.10 0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 3d1d n SER 484 Cb 0.85 -1.13 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 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 -1.44 1.19 -3.67 4.33 1.02 -1.26 -5.05 120.64 115.76 3d1d n GLU 485 Ca 0.05 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.80 3d1d n GLU 485 Cb 0.55 -0.16 -0.11 0.00 -0.02 0.00 0.00 31.44 31.70 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 -0.39 2.58 -0.20 3.49 1.02 -1.26 -5.03 119.74 119.95 3d1d s LYS 486 Ca 0.00 -1.36 -0.29 0.00 0.02 0.00 0.00 55.97 54.34 3d1d s LYS 486 Cb 0.00 -3.65 0.14 0.00 -0.52 0.00 0.00 37.83 33.81 3d1d s LYS 486 CO 0.00 -0.84 1.09 -0.59 -0.92 0.00 0.00 175.35 174.08 3d1d s PHE 487 N 1.40 -0.30 0.22 3.18 -0.12 -1.26 -4.90 117.98 116.21 3d1d s PHE 487 Ca 0.02 0.53 -0.32 0.00 -0.05 0.00 0.00 56.93 57.11 3d1d s PHE 487 Cb -0.21 0.45 -0.13 0.00 -0.63 0.00 0.00 43.02 42.50 3d1d s PHE 487 CO 0.02 -0.26 1.52 -0.35 -0.05 0.00 0.00 175.22 176.10 3d1d n PRO 488 N 0.79 2.26 -2.65 1.99 -0.04 -1.26 -4.88 135.00 131.21 3d1d n PRO 488 Ca -0.08 0.81 -0.22 0.00 -0.04 0.00 0.00 63.50 63.97 3d1d n PRO 488 Cb 0.58 -2.54 0.06 0.00 -0.04 0.00 0.00 33.50 31.57 3d1d n PRO 488 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3d1d s ILE 489 N 0.36 2.43 0.00 0.52 1.01 -1.26 0.20 121.20 124.47 3d1d s ILE 489 Ca 0.71 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 60.70 3d1d s ILE 489 Cb -0.62 -2.77 0.00 0.00 0.01 0.00 0.00 42.46 39.08 3d1d s ILE 489 CO 0.44 0.00 0.00 1.67 0.00 0.00 0.00 174.94 177.05 3d1d n GLN 490 N -2.52 0.00 -3.21 2.79 7.27 0.07 -4.41 117.38 117.38 3d1d n GLN 490 Ca 0.11 0.00 -0.34 0.00 0.07 0.00 0.00 57.00 56.84 3d1d n GLN 490 Cb 0.60 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 33.19 3d1d n GLN 490 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 3d1d s GLU 491 N 0.00 4.07 -0.69 3.69 2.02 -1.26 -4.56 118.70 121.97 3d1d s GLU 491 Ca 0.00 0.66 -0.08 0.00 0.02 0.00 0.00 54.97 55.56 3d1d s GLU 491 Cb 0.00 -2.75 0.01 0.00 0.10 0.00 0.00 34.13 31.49 3d1d s GLU 491 CO 0.00 0.35 0.45 0.09 0.02 0.00 0.00 175.26 176.17 3d1d n ASN 492 N 0.37 -3.29 -4.72 -0.19 4.13 -1.26 -4.87 115.26 105.44 3d1d n ASN 492 Ca -0.01 -0.79 -0.42 0.00 1.68 0.00 0.00 54.58 55.04 3d1d n ASN 492 Cb 0.52 -1.15 -0.03 0.00 -1.54 0.00 0.00 39.78 37.58 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 -5.00 4.38 0.16 3.52 -0.21 -1.26 -4.93 119.66 116.31 3d1d s GLN 493 Ca 0.11 1.93 -0.33 0.00 0.02 0.00 0.00 55.36 57.10 3d1d s GLN 493 Cb -0.06 -3.29 -0.17 0.00 1.00 0.00 0.00 33.01 30.49 3d1d s GLN 493 CO 0.67 -0.33 0.96 -2.30 -2.12 0.00 0.00 175.29 172.17 3d1d n PRO 494 N 3.80 0.65 -0.24 2.91 -0.02 -1.26 -4.78 135.00 136.05 3d1d n PRO 494 Ca 0.10 0.23 -0.03 0.00 -2.02 0.00 0.00 63.50 61.78 3d1d n PRO 494 Cb 0.44 -1.59 0.08 0.00 -0.02 0.00 0.00 33.50 32.42 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 2.55 0.67 -0.73 2.45 5.85 -1.98 -0.88 115.31 123.23 3d1d h LEU 495 Ca -0.40 0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.42 3d1d h LEU 495 Cb 1.39 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 42.21 3d1d h LEU 495 CO 0.65 0.45 0.37 -0.65 -0.34 0.00 0.00 178.44 178.92 3d1d h PRO 496 N 0.80 0.61 -0.47 5.25 0.11 -1.99 0.54 132.00 136.86 3d1d h PRO 496 Ca 0.28 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.30 3d1d h PRO 496 Cb 0.07 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.02 3d1d h PRO 496 CO -0.13 0.41 0.08 0.93 -0.21 0.00 0.00 178.00 179.08 3d1d h GLU 497 N 0.63 0.77 -0.65 1.05 3.07 -1.80 -0.11 114.58 117.55 3d1d h GLU 497 Ca 0.36 -0.20 0.01 0.00 -0.50 0.00 0.00 59.36 59.03 3d1d h GLU 497 Cb 0.38 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 28.16 3d1d h GLU 497 CO -0.27 0.78 0.43 1.96 -1.40 0.00 0.00 179.01 180.51 3d1d h GLN 498 N 0.64 0.84 -0.19 2.33 1.08 0.27 -1.38 115.11 118.70 3d1d h GLN 498 Ca 0.14 -0.05 -0.19 0.00 -1.45 0.00 0.00 58.65 57.10 3d1d h GLN 498 Cb 0.38 -0.19 0.01 0.00 -0.05 0.00 0.00 27.48 27.62 3d1d h GLN 498 CO 0.01 0.56 -0.63 -0.07 -0.95 0.00 0.00 178.83 177.74 3d1d h LEU 499 N 0.86 0.89 -0.83 1.46 3.38 0.62 -2.13 115.31 119.56 3d1d h LEU 499 Ca 0.24 -0.60 0.02 0.00 0.09 0.00 0.00 57.88 57.64 3d1d h LEU 499 Cb -0.08 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.37 3d1d h LEU 499 CO -0.05 1.33 0.54 -0.03 0.09 0.00 0.00 178.44 180.32 3d1d h MET 500 N 0.49 1.05 0.42 1.13 4.05 -0.55 0.32 114.93 121.85 3d1d h MET 500 Ca -0.03 -0.06 -0.02 0.00 -0.28 0.00 0.00 59.70 59.31 3d1d h MET 500 Cb 1.26 -0.24 0.00 0.00 -0.80 0.00 0.00 31.60 31.83 3d1d h MET 500 CO 0.13 0.69 -0.20 0.35 0.23 0.00 0.00 176.91 178.11 3d1d h PHE 501 N 1.08 -0.53 -0.60 1.39 3.57 -1.25 -1.71 116.94 118.89 3d1d h PHE 501 Ca 0.32 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.87 3d1d h PHE 501 Cb -0.05 0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.83 3d1d h PHE 501 CO -0.02 -0.22 0.40 -0.07 -2.23 0.00 0.00 178.31 176.16 3d1d h LEU 502 N -0.80 0.50 -0.62 0.59 3.38 -1.14 0.30 115.31 117.53 3d1d h LEU 502 Ca -0.06 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 3d1d h LEU 502 Cb 0.54 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 3d1d h LEU 502 CO 0.10 0.33 0.26 -1.28 0.09 0.00 0.00 178.44 177.94 3d1d h SER 503 N 0.57 0.84 0.13 -0.43 0.87 -0.16 -0.30 113.55 115.08 3d1d h SER 503 Ca 0.26 -0.16 -0.18 0.00 -1.23 0.00 0.00 61.79 60.48 3d1d h SER 503 Cb 0.28 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 62.02 3d1d h SER 503 CO -0.08 0.77 -0.66 -1.13 -0.53 0.00 0.00 176.83 175.21 3d1d h ASN 504 N 0.86 0.57 -0.25 6.23 -0.73 -0.17 -3.18 115.58 118.90 3d1d h ASN 504 Ca 0.21 -0.35 -0.01 0.00 1.87 0.00 0.00 56.30 58.02 3d1d h ASN 504 Cb 0.18 -0.17 -0.01 0.00 0.27 0.00 0.00 38.32 38.59 3d1d h ASN 504 CO -0.02 1.08 0.12 0.25 -0.37 0.00 0.00 177.43 178.49 3d1d h LEU 505 N 0.36 0.33 -1.32 0.34 5.85 -0.19 -2.68 115.31 118.00 3d1d h LEU 505 Ca -0.02 -0.12 0.29 0.00 0.84 0.00 0.00 57.88 58.87 3d1d h LEU 505 Cb 1.22 -0.08 -0.10 0.00 0.37 0.00 0.00 40.66 42.06 3d1d h LEU 505 CO 0.12 0.36 0.68 -0.08 -0.34 0.00 0.00 178.44 179.18 3d1d h GLU 506 N 0.28 0.35 -0.02 1.25 4.57 -1.04 -1.37 114.58 118.60 3d1d h GLU 506 Ca 0.09 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 3d1d h GLU 506 Cb 0.12 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.63 3d1d h GLU 506 CO -0.01 0.23 -0.04 1.63 -1.18 0.00 0.00 179.01 179.64 3d1d n LYS 507 N -4.68 1.80 -0.91 1.92 5.02 -1.02 -4.97 118.16 115.31 3d1d n LYS 507 Ca 0.28 -1.25 -0.29 0.00 -2.02 0.00 0.00 58.31 55.03 3d1d n LYS 507 Cb 0.95 -1.47 0.23 0.00 -0.02 0.00 0.00 35.03 34.71 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 -2.06 -0.80 0.57 1.97 -1.52 -0.52 -5.04 119.66 112.26 3d1d s GLN 508 Ca 0.33 0.36 -0.05 0.00 -1.95 0.00 0.00 55.36 54.05 3d1d s GLN 508 Cb 0.20 -1.61 0.01 0.00 -0.22 0.00 0.00 33.01 31.39 3d1d s GLN 508 CO 0.35 -3.52 0.86 0.95 -0.25 0.00 0.00 175.29 173.68 3d1d s THR 509 N -2.78 3.68 0.00 -0.19 -4.23 -1.26 -4.74 115.64 106.11 3d1d s THR 509 Ca 0.68 -0.10 0.00 0.00 -1.18 0.00 0.00 61.69 61.09 3d1d s THR 509 Cb -0.17 -3.44 0.00 0.00 1.34 0.00 0.00 72.50 70.23 3d1d s THR 509 CO 0.59 -0.43 0.24 -2.65 -0.54 0.00 0.00 174.62 171.83 3d1d n PRO 510 N -2.50 0.00 -0.17 3.99 -0.02 -1.26 -0.95 135.00 134.09 3d1d n PRO 510 Ca 0.04 0.24 -0.05 0.00 -2.02 0.00 0.00 63.50 61.72 3d1d n PRO 510 Cb 0.58 -0.51 0.02 0.00 -0.02 0.00 0.00 33.50 33.56 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 -0.71 -0.34 6.00 3.57 -1.95 -0.87 116.94 122.63 3d1d h PHE 511 Ca 0.00 0.06 0.05 0.00 3.53 0.00 0.00 57.97 61.61 3d1d h PHE 511 Cb 0.00 0.39 -0.04 0.00 2.79 0.00 0.00 35.95 39.09 3d1d h PHE 511 CO 0.00 -0.34 0.07 0.00 -2.23 0.00 0.00 178.31 175.81 3d1d h ALA 512 N 1.12 0.36 -0.69 2.41 0.00 -1.73 -0.73 119.26 120.00 3d1d h ALA 512 Ca 0.23 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.25 3d1d h ALA 512 Cb 0.52 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 3d1d h ALA 512 CO -0.62 -0.33 0.42 -0.22 0.00 0.00 0.00 179.25 178.50 3d1d h LYS 513 N 0.20 0.77 -0.08 0.00 3.64 -0.38 0.24 116.57 120.95 3d1d h LYS 513 Ca 0.16 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.51 3d1d h LYS 513 Cb 0.17 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 3d1d h LYS 513 CO -0.20 0.51 -0.03 0.00 -2.27 0.00 0.00 179.45 177.46 3d1d h ALA 514 N 1.32 0.05 -0.52 5.00 0.00 -0.40 -2.10 119.26 122.61 3d1d h ALA 514 Ca 0.29 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 3d1d h ALA 514 Cb 0.10 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3d1d h ALA 514 CO -0.14 -0.50 0.20 0.28 0.00 0.00 0.00 179.25 179.09 3d1d h VAL 515 N -0.01 1.22 -0.06 0.00 2.07 -0.64 -2.70 116.25 116.12 3d1d h VAL 515 Ca 0.04 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 66.88 3d1d h VAL 515 Cb 0.08 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 3d1d h VAL 515 CO -0.09 0.26 0.02 1.23 0.02 0.00 0.00 177.57 179.01 3d1d h GLY 516 N 0.70 0.07 2.00 2.17 0.00 -0.35 0.14 103.07 107.80 3d1d h GLY 516 Ca 0.17 -0.01 -0.08 0.00 0.00 0.00 0.00 47.33 47.41 3d1d h GLY 516 CO -0.01 0.01 -0.38 1.48 0.00 0.00 0.00 176.54 177.64 3d1d h SER 517 N 0.05 0.00 0.14 0.19 4.64 -1.41 0.49 113.55 117.65 3d1d h SER 517 Ca 0.02 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.34 3d1d h SER 517 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 3d1d h SER 517 CO -0.02 0.38 -0.07 0.28 -0.87 0.00 0.00 176.83 176.53 3d1d h SER 518 N 0.00 -0.16 -0.41 4.97 0.02 -1.17 -3.02 113.55 113.78 3d1d h SER 518 Ca -0.00 -0.34 0.03 0.00 -0.84 0.00 0.00 61.79 60.64 3d1d h SER 518 Cb 0.77 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.33 3d1d h SER 518 CO 0.05 0.28 0.27 0.40 -1.14 0.00 0.00 176.83 176.69 3d1d h ILE 519 N -0.65 1.05 0.00 3.27 1.08 -0.47 -1.56 117.51 120.23 3d1d h ILE 519 Ca -0.02 -0.16 0.00 0.00 -0.39 0.00 0.00 64.86 64.29 3d1d h ILE 519 Cb 0.49 0.55 0.00 0.00 -3.07 0.00 0.00 36.82 34.78 3d1d h ILE 519 CO 0.03 0.08 0.00 0.22 -0.69 0.00 0.00 178.15 177.80 3d1d h TYR 520 N 0.46 0.00 0.00 1.37 3.20 0.09 0.13 116.97 122.22 3d1d h TYR 520 Ca 0.16 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.93 3d1d h TYR 520 Cb 0.08 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 3d1d h TYR 520 CO -0.00 0.00 -0.47 0.87 -1.64 0.00 0.00 178.16 176.92 3d1d h LYS 521 N 0.00 0.00 -0.08 1.82 1.79 -1.18 -2.21 116.57 116.71 3d1d h LYS 521 Ca 0.00 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.28 3d1d h LYS 521 Cb 0.31 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.95 3d1d h LYS 521 CO 0.00 0.47 -0.75 -0.07 -1.08 0.00 0.00 179.45 178.02 3d1d h LEU 522 N 0.00 0.51 0.79 2.94 3.38 -0.83 -0.03 115.31 122.07 3d1d h LEU 522 Ca -0.00 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.59 3d1d h LEU 522 Cb 1.06 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.66 3d1d h LEU 522 CO 0.06 1.08 -0.38 0.58 0.09 0.00 0.00 178.44 179.88 3d1d h VAL 523 N 0.29 0.00 -0.10 1.22 2.07 -1.04 0.26 116.25 118.94 3d1d h VAL 523 Ca -0.03 -0.02 -0.09 0.00 0.82 0.00 0.00 66.70 67.37 3d1d h VAL 523 Cb 1.33 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 3d1d h VAL 523 CO 0.13 0.00 -0.35 0.71 0.02 0.00 0.00 177.57 178.08 3d1d h THR 524 N -1.08 1.28 0.10 2.57 1.35 -1.49 -0.25 112.91 115.39 3d1d h THR 524 Ca -0.11 -1.35 -0.34 0.00 -0.55 0.00 0.00 66.41 64.07 3d1d h THR 524 Cb 0.81 1.59 -0.02 0.00 -1.73 0.00 0.00 68.15 68.80 3d1d h THR 524 CO 0.18 0.40 -1.85 1.23 -0.25 0.00 0.00 175.52 175.23 3d1d h GLY 525 N 1.12 0.23 -0.06 5.82 0.00 -1.01 -3.40 103.07 105.78 3d1d h GLY 525 Ca 0.02 -0.60 0.00 0.00 0.00 0.00 0.00 47.33 46.75 3d1d h GLY 525 CO 0.05 0.52 -0.03 0.28 0.00 0.00 0.00 176.54 177.37 3d1d n LYS 526 N -3.37 1.80 -2.62 4.80 5.02 0.87 -4.99 118.16 119.66 3d1d n LYS 526 Ca -0.26 -2.00 -0.20 0.00 -2.02 0.00 0.00 58.31 53.83 3d1d n LYS 526 Cb 1.05 -1.22 0.01 0.00 -0.02 0.00 0.00 35.03 34.85 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 -0.95 -5.72 -4.72 4.39 5.03 -0.12 -4.77 115.26 108.41 3d1d n ASN 527 Ca 0.08 -0.12 -0.42 0.00 0.87 0.00 0.00 54.58 54.99 3d1d n ASN 527 Cb 0.49 -4.67 -0.03 0.00 -1.02 0.00 0.00 39.78 34.55 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 -5.90 4.37 0.00 3.41 0.20 -0.92 -0.75 118.68 119.10 3d1d s LEU 528 Ca 0.12 2.81 -0.36 0.00 0.69 0.00 0.00 54.13 57.39 3d1d s LEU 528 Cb -0.05 -3.60 -0.15 0.00 -0.43 0.00 0.00 46.19 41.96 3d1d s LEU 528 CO 0.15 -0.94 1.59 -0.24 -0.29 0.00 0.00 176.35 176.61 3d1d n SER 529 N 4.03 2.54 -0.29 3.68 2.88 0.13 -4.42 113.62 122.17 3d1d n SER 529 Ca 0.16 1.07 0.06 0.00 -1.33 0.00 0.00 58.87 58.83 3d1d n SER 529 Cb 0.36 -1.28 0.27 0.00 -0.75 0.00 0.00 64.21 62.81 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 6.34 0.85 -0.86 2.46 5.85 -1.90 0.68 115.31 128.72 3d1d h LEU 530 Ca -0.47 0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.15 3d1d h LEU 530 Cb 1.30 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.15 3d1d h LEU 530 CO 0.88 0.52 -0.56 0.44 -0.34 0.00 0.00 178.44 179.37 3d1d h ASP 531 N 0.95 0.02 -0.26 1.25 3.32 -1.98 -1.09 116.42 118.63 3d1d h ASP 531 Ca 0.40 -0.01 -0.19 0.00 0.02 0.00 0.00 57.03 57.25 3d1d h ASP 531 Cb 0.31 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.86 3d1d h ASP 531 CO -0.16 0.58 -0.59 0.15 -1.72 0.00 0.00 179.24 177.49 3d1d h PHE 532 N 0.01 1.10 -0.75 4.55 3.57 -1.52 -0.04 116.94 123.85 3d1d h PHE 532 Ca -0.01 -0.41 -0.05 0.00 3.53 0.00 0.00 57.97 61.03 3d1d h PHE 532 Cb 1.00 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.51 3d1d h PHE 532 CO 0.00 1.24 0.26 0.00 -2.23 0.00 0.00 178.31 177.58 3d1d h ALA 533 N 0.67 0.98 -0.16 2.41 0.00 -0.75 -1.32 119.26 121.08 3d1d h ALA 533 Ca 0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 3d1d h ALA 533 Cb 1.20 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3d1d h ALA 533 CO 0.13 0.65 0.02 0.77 0.00 0.00 0.00 179.25 180.82 3d1d h SER 534 N 1.11 0.21 -0.08 0.00 0.02 -0.83 -1.58 113.55 112.40 3d1d h SER 534 Ca 0.24 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.15 3d1d h SER 534 Cb 0.28 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.77 3d1d h SER 534 CO -0.01 0.24 -0.04 1.56 -1.14 0.00 0.00 176.83 177.43 3d1d h GLN 535 N 0.23 0.17 -0.79 3.45 4.20 0.07 -1.66 115.11 120.78 3d1d h GLN 535 Ca 0.06 -0.08 0.05 0.00 0.06 0.00 0.00 58.65 58.74 3d1d h GLN 535 Cb 0.13 -0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.86 3d1d h GLN 535 CO -0.00 0.54 0.52 0.82 -0.67 0.00 0.00 178.83 180.04 3d1d h ILE 536 N -0.20 1.08 0.23 2.54 1.08 -0.84 -1.53 117.51 119.86 3d1d h ILE 536 Ca 0.02 -0.31 -0.01 0.00 -0.39 0.00 0.00 64.86 64.16 3d1d h ILE 536 Cb 0.49 0.09 0.00 0.00 -3.07 0.00 0.00 36.82 34.33 3d1d h ILE 536 CO 0.01 0.17 -0.11 0.25 -0.69 0.00 0.00 178.15 177.78 3d1d h LEU 537 N 0.91 -0.26 -0.17 1.44 5.85 -1.17 0.77 115.31 122.67 3d1d h LEU 537 Ca 0.33 -0.21 0.05 0.00 0.84 0.00 0.00 57.88 58.89 3d1d h LEU 537 Cb 0.15 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.18 3d1d h LEU 537 CO -0.11 0.09 -0.25 0.50 -0.34 0.00 0.00 178.44 178.32 3d1d h LYS 538 N -0.63 -0.29 -0.38 1.25 3.64 -1.02 0.15 116.57 119.29 3d1d h LYS 538 Ca -0.03 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.44 3d1d h LYS 538 Cb 0.45 0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.27 3d1d h LYS 538 CO 0.05 -0.19 -0.02 1.49 -2.27 0.00 0.00 179.45 178.51 3d1d h GLU 539 N -0.30 0.08 -0.39 1.90 4.81 -1.28 -1.33 114.58 118.07 3d1d h GLU 539 Ca 0.11 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 3d1d h GLU 539 Cb 0.47 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 3d1d h GLU 539 CO -0.34 0.05 0.21 0.00 -0.73 0.00 0.00 179.01 178.20 3d1d h ALA 540 N 1.34 1.63 0.19 2.92 0.00 0.27 -2.58 119.26 123.03 3d1d h ALA 540 Ca 0.18 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3d1d h ALA 540 Cb 0.26 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3d1d h ALA 540 CO -0.33 0.31 -0.09 1.03 0.00 0.00 0.00 179.25 180.17 3d1d h SER 541 N 0.54 -0.22 -0.78 0.00 0.87 0.33 -3.10 113.55 111.19 3d1d h SER 541 Ca 0.14 -0.30 0.15 0.00 -1.23 0.00 0.00 61.79 60.56 3d1d h SER 541 Cb 0.03 0.06 -0.05 0.00 -0.44 0.00 0.00 62.40 61.99 3d1d h SER 541 CO -0.02 0.23 0.52 0.40 -0.53 0.00 0.00 176.83 177.43 3d1d h ILE 542 N -0.74 0.79 0.00 2.23 2.04 -1.25 1.05 117.51 121.64 3d1d h ILE 542 Ca -0.03 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.68 3d1d h ILE 542 Cb 0.50 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 36.88 3d1d h ILE 542 CO 0.04 0.08 0.00 -0.07 0.00 0.00 0.00 178.15 178.21 3d1d h LEU 543 N 0.46 0.00 -1.28 1.44 3.38 -1.42 -3.52 115.31 114.38 3d1d h LEU 543 Ca 0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.36 3d1d h LEU 543 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 3d1d h LEU 543 CO -0.13 0.00 0.00 1.21 0.09 0.00 0.00 178.44 179.61