#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fm8 s PHE 449 N 0.00 -0.19 -0.09 0.00 -0.12 -0.04 -2.22 117.98 115.31 3fm8 s PHE 449 Ca 0.00 -0.06 -0.04 0.00 -0.05 0.00 0.00 56.93 56.77 3fm8 s PHE 449 Cb 0.00 0.61 -0.04 0.00 -0.63 0.00 0.00 43.02 42.96 3fm8 s PHE 449 CO 0.00 -0.74 0.08 -0.51 -0.05 0.00 0.00 175.22 174.00 3fm8 s LEU 450 N -2.81 4.04 -0.14 -1.99 1.43 -0.03 0.49 118.68 119.67 3fm8 s LEU 450 Ca 0.10 0.32 -0.03 0.00 -1.03 0.00 0.00 54.13 53.49 3fm8 s LEU 450 Cb -0.01 -2.01 -0.03 0.00 0.03 0.00 0.00 46.19 44.18 3fm8 s LEU 450 CO -0.01 0.38 -0.05 -0.69 0.23 0.00 0.00 176.35 176.21 3fm8 s VAL 451 N -1.00 3.80 -0.52 -1.59 1.01 0.08 -0.68 120.40 121.49 3fm8 s VAL 451 Ca 0.15 -0.40 -0.29 0.00 0.00 0.00 0.00 61.98 61.45 3fm8 s VAL 451 Cb -0.12 -2.64 0.03 0.00 0.00 0.00 0.00 36.38 33.65 3fm8 s VAL 451 CO 0.05 0.52 1.22 0.21 0.00 0.00 0.00 175.10 177.10 3fm8 s ASN 452 N 0.15 6.46 0.36 3.32 2.47 -0.56 -1.06 114.94 126.09 3fm8 s ASN 452 Ca -0.02 0.34 0.27 0.00 0.42 0.00 0.00 52.86 53.87 3fm8 s ASN 452 Cb -0.14 -2.55 1.22 0.00 -1.45 0.00 0.00 41.25 38.33 3fm8 s ASN 452 CO 0.03 -1.42 1.80 -0.07 -3.72 0.00 0.00 177.10 173.72 3fm8 h LEU 453 N 11.84 0.00 -0.76 3.21 3.38 -1.20 -2.29 115.31 129.50 3fm8 h LEU 453 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 3fm8 h LEU 453 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 3fm8 h LEU 453 CO 1.15 0.00 -0.57 0.59 0.09 0.00 0.00 178.44 179.70 3fm8 n ASN 454 N -2.46 1.74 -4.68 -0.43 3.02 -1.26 -4.94 115.26 106.26 3fm8 n ASN 454 Ca 0.01 -1.37 -0.42 0.00 -0.03 0.00 0.00 54.58 52.76 3fm8 n ASN 454 Cb 0.18 0.60 -0.03 0.00 -0.61 0.00 0.00 39.78 39.92 3fm8 n ASN 454 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fm8 s ALA 455 N -2.51 3.66 -0.34 5.41 0.00 -0.86 -4.98 121.76 122.14 3fm8 s ALA 455 Ca 0.15 1.19 -0.23 0.00 0.00 0.00 0.00 51.96 53.08 3fm8 s ALA 455 Cb 0.17 -3.75 0.00 0.00 0.00 0.00 0.00 23.12 19.54 3fm8 s ALA 455 CO 0.61 -1.29 0.75 0.34 0.00 0.00 0.00 175.76 176.17 3fm8 s ASP 456 N 3.11 6.55 0.45 0.00 -1.08 -1.26 -4.95 116.67 119.49 3fm8 s ASP 456 Ca 0.78 0.40 0.25 0.00 -0.52 0.00 0.00 52.55 53.45 3fm8 s ASP 456 Cb -0.40 -2.38 0.69 0.00 -1.46 0.00 0.00 42.92 39.37 3fm8 s ASP 456 CO 0.34 -0.66 1.73 1.55 0.52 0.00 0.00 175.17 178.65 3fm8 h PRO 457 N 8.37 0.00 0.00 4.34 0.13 -1.93 -2.66 132.00 140.24 3fm8 h PRO 457 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 3fm8 h PRO 457 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3fm8 h PRO 457 CO 0.88 0.12 0.00 0.00 -0.23 0.00 0.00 178.00 178.77 3fm8 h ALA 458 N 1.88 1.00 -2.06 -0.56 0.00 -1.97 -3.39 119.26 114.16 3fm8 h ALA 458 Ca -0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 3fm8 h ALA 458 Cb 0.88 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.60 3fm8 h ALA 458 CO 0.02 0.00 -0.55 -0.51 0.00 0.00 0.00 179.25 178.21 3fm8 s LEU 459 N -5.53 3.45 -1.20 0.00 1.43 -1.00 -5.03 118.68 110.80 3fm8 s LEU 459 Ca -0.03 -0.54 -0.21 0.00 -1.03 0.00 0.00 54.13 52.32 3fm8 s LEU 459 Cb 0.10 -1.98 0.01 0.00 0.03 0.00 0.00 46.19 44.35 3fm8 s LEU 459 CO 0.35 -0.15 1.77 0.54 0.23 0.00 0.00 176.35 179.10 3fm8 s ASN 460 N -3.82 6.13 -0.17 2.29 2.20 -1.26 -4.84 114.94 115.46 3fm8 s ASN 460 Ca 0.35 -1.95 0.01 0.00 -0.94 0.00 0.00 52.86 50.33 3fm8 s ASN 460 Cb -0.06 -2.58 0.01 0.00 -2.00 0.00 0.00 41.25 36.63 3fm8 s ASN 460 CO 0.23 -1.90 -0.18 -1.61 -2.94 0.00 0.00 177.10 170.70 3fm8 s GLU 461 N 5.20 3.07 -0.35 3.55 2.02 -1.25 -5.06 118.70 125.89 3fm8 s GLU 461 Ca 0.58 -0.80 -0.39 0.00 0.02 0.00 0.00 54.97 54.39 3fm8 s GLU 461 Cb 0.01 -2.61 -0.14 0.00 0.10 0.00 0.00 34.13 31.49 3fm8 s GLU 461 CO 0.06 -0.14 2.01 -0.11 0.02 0.00 0.00 175.26 177.10 3fm8 n LEU 462 N 4.47 2.02 -0.12 1.80 7.94 -1.26 -4.70 117.00 127.15 3fm8 n LEU 462 Ca -0.20 0.71 -0.25 0.00 -1.11 0.00 0.00 56.01 55.15 3fm8 n LEU 462 Cb 0.51 -1.16 -0.11 0.00 0.53 0.00 0.00 43.42 43.19 3fm8 n LEU 462 CO 0.27 -0.62 -1.15 -0.11 -1.11 0.00 0.00 177.39 174.67 3fm8 n LEU 463 N 7.77 2.16 -4.83 -1.96 7.94 -1.26 -4.71 117.00 122.11 3fm8 n LEU 463 Ca 0.38 0.27 -0.37 0.00 -1.11 0.00 0.00 56.01 55.18 3fm8 n LEU 463 Cb 0.15 -0.90 -0.06 0.00 0.53 0.00 0.00 43.42 43.14 3fm8 n LEU 463 CO 0.80 0.59 -0.11 -0.69 -1.11 0.00 0.00 177.39 176.87 3fm8 s VAL 464 N -2.48 5.39 -0.27 1.96 1.01 -1.26 -1.49 120.40 123.26 3fm8 s VAL 464 Ca -0.34 0.35 -0.01 0.00 0.00 0.00 0.00 61.98 61.98 3fm8 s VAL 464 Cb 0.11 -3.49 0.08 0.00 0.00 0.00 0.00 36.38 33.08 3fm8 s VAL 464 CO 0.56 0.55 0.06 -0.31 0.00 0.00 0.00 175.10 175.96 3fm8 s TYR 465 N -0.60 1.63 0.36 5.22 1.51 0.14 -5.00 117.35 120.61 3fm8 s TYR 465 Ca 0.15 -1.50 -0.26 0.00 -1.01 0.00 0.00 57.07 54.46 3fm8 s TYR 465 Cb -0.13 -1.51 -0.09 0.00 -0.11 0.00 0.00 41.96 40.12 3fm8 s TYR 465 CO 0.04 -0.79 1.08 0.71 -1.11 0.00 0.00 175.55 175.49 3fm8 s TYR 466 N 1.65 3.35 -0.14 2.71 1.51 -1.26 -0.85 117.35 124.32 3fm8 s TYR 466 Ca 0.04 1.66 -0.05 0.00 -1.01 0.00 0.00 57.07 57.71 3fm8 s TYR 466 Cb -0.17 -3.21 -0.04 0.00 -0.11 0.00 0.00 41.96 38.43 3fm8 s TYR 466 CO -0.17 -0.67 0.05 -0.51 -1.11 0.00 0.00 175.55 173.13 3fm8 s LEU 467 N -2.24 3.79 0.90 -1.29 1.43 -0.94 -4.91 118.68 115.43 3fm8 s LEU 467 Ca 0.53 0.16 -0.12 0.00 -1.03 0.00 0.00 54.13 53.67 3fm8 s LEU 467 Cb -0.26 -1.92 0.19 0.00 0.03 0.00 0.00 46.19 44.23 3fm8 s LEU 467 CO 0.33 0.29 1.24 -0.54 0.23 0.00 0.00 176.35 177.90 3fm8 s LYS 468 N -0.31 0.84 0.45 1.70 1.02 -1.26 -4.93 119.74 117.25 3fm8 s LYS 468 Ca 0.08 -0.67 0.14 0.00 0.02 0.00 0.00 55.97 55.54 3fm8 s LYS 468 Cb -0.12 -1.98 1.02 0.00 -0.52 0.00 0.00 37.83 36.23 3fm8 s LYS 468 CO 0.02 -2.20 2.01 1.05 -0.92 0.00 0.00 175.35 175.31 3fm8 h GLU 469 N -1.36 0.03 -2.48 1.68 4.11 -1.89 -3.39 114.58 111.28 3fm8 h GLU 469 Ca -0.42 -0.01 -0.49 0.00 0.07 0.00 0.00 59.36 58.51 3fm8 h GLU 469 Cb 1.24 -0.01 -0.37 0.00 0.50 0.00 0.00 28.75 30.11 3fm8 h GLU 469 CO 0.36 0.18 -0.77 -1.58 0.07 0.00 0.00 179.01 177.27 3fm8 s HIS 470 N -4.73 0.26 -0.28 2.06 5.65 -1.26 -1.62 115.29 115.37 3fm8 s HIS 470 Ca -0.04 -1.05 -0.11 0.00 0.25 0.00 0.00 55.06 54.11 3fm8 s HIS 470 Cb 0.16 -0.76 -0.05 0.00 -1.18 0.00 0.00 32.58 30.75 3fm8 s HIS 470 CO 0.70 -0.87 0.18 0.99 -0.65 0.00 0.00 174.74 175.09 3fm8 s THR 471 N 1.64 5.25 -0.08 0.89 2.01 0.13 -4.99 115.64 120.48 3fm8 s THR 471 Ca 0.14 0.15 -0.22 0.00 0.31 0.00 0.00 61.69 62.06 3fm8 s THR 471 Cb -0.18 -3.50 -0.04 0.00 0.01 0.00 0.00 72.50 68.79 3fm8 s THR 471 CO -0.16 0.26 0.65 -0.76 -0.69 0.00 0.00 174.62 173.92 3fm8 s LEU 472 N 1.72 4.31 -0.10 4.42 1.43 -1.26 -1.59 118.68 127.60 3fm8 s LEU 472 Ca 0.07 1.10 0.02 0.00 -1.03 0.00 0.00 54.13 54.29 3fm8 s LEU 472 Cb -0.16 -3.00 0.01 0.00 0.03 0.00 0.00 46.19 43.08 3fm8 s LEU 472 CO 0.10 -0.09 -0.16 -0.63 0.23 0.00 0.00 176.35 175.80 3fm8 s ILE 473 N 0.77 1.53 -2.51 -0.59 1.01 0.20 -1.05 121.20 120.57 3fm8 s ILE 473 Ca 0.35 -0.68 0.00 0.00 0.00 0.00 0.00 60.65 60.32 3fm8 s ILE 473 Cb -0.17 -1.38 0.00 0.00 0.01 0.00 0.00 42.46 40.92 3fm8 s ILE 473 CO 0.16 0.45 0.00 0.61 0.00 0.00 0.00 174.94 176.16 3fm8 n GLY 474 N 4.04 -1.39 0.05 6.18 0.00 -0.75 -0.67 105.19 112.65 3fm8 n GLY 474 Ca -0.20 -1.03 0.11 0.00 0.00 0.00 0.00 46.02 44.90 3fm8 n GLY 474 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3fm8 n SER 475 N 1.51 0.62 -4.76 1.61 3.41 -0.53 0.12 113.62 115.60 3fm8 n SER 475 Ca 0.00 -0.05 -0.38 0.00 -0.26 0.00 0.00 58.87 58.18 3fm8 n SER 475 Cb 0.00 0.72 0.02 0.00 -0.26 0.00 0.00 64.21 64.69 3fm8 n SER 475 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fm8 s ALA 476 N -3.24 2.87 0.51 7.33 0.00 0.29 -4.80 121.76 124.71 3fm8 s ALA 476 Ca 0.02 1.21 0.19 0.00 0.00 0.00 0.00 51.96 53.38 3fm8 s ALA 476 Cb 0.13 -3.51 1.27 0.00 0.00 0.00 0.00 23.12 21.01 3fm8 s ALA 476 CO 0.79 -1.14 2.07 -0.91 0.00 0.00 0.00 175.76 176.57 3fm8 h ASN 477 N 1.65 0.07 0.27 0.00 2.35 -1.92 -1.65 115.58 116.34 3fm8 h ASN 477 Ca -0.50 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.25 3fm8 h ASN 477 Cb 1.28 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.64 3fm8 h ASN 477 CO 0.58 0.04 0.00 -1.54 -1.65 0.00 0.00 177.43 174.87 3fm8 n SER 478 N -4.47 0.00 -4.82 5.81 3.41 -1.26 -4.87 113.62 107.43 3fm8 n SER 478 Ca 0.04 -0.10 -0.36 0.00 -0.26 0.00 0.00 58.87 58.19 3fm8 n SER 478 Cb 0.32 -0.23 -0.06 0.00 -0.26 0.00 0.00 64.21 63.98 3fm8 n SER 478 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3fm8 s GLN 479 N -2.45 4.20 0.16 4.33 -1.52 -0.62 -4.98 119.66 118.77 3fm8 s GLN 479 Ca 0.19 0.79 -0.10 0.00 -1.95 0.00 0.00 55.36 54.29 3fm8 s GLN 479 Cb 0.12 -2.90 0.01 0.00 -0.22 0.00 0.00 33.01 30.02 3fm8 s GLN 479 CO 0.26 0.42 1.56 -0.44 -0.25 0.00 0.00 175.29 176.84 3fm8 h ASP 480 N 3.49 1.03 -3.61 5.90 3.32 -1.42 -3.37 116.42 121.75 3fm8 h ASP 480 Ca -0.48 -0.39 -0.67 0.00 0.02 0.00 0.00 57.03 55.51 3fm8 h ASP 480 Cb 1.19 -0.28 -0.34 0.00 0.22 0.00 0.00 39.33 40.12 3fm8 h ASP 480 CO 0.65 1.18 -0.77 -0.63 -1.72 0.00 0.00 179.24 177.95 3fm8 s ILE 481 N -4.71 2.54 -0.50 0.35 1.01 -0.33 -5.00 121.20 114.56 3fm8 s ILE 481 Ca -0.11 -1.28 -0.17 0.00 0.00 0.00 0.00 60.65 59.08 3fm8 s ILE 481 Cb 0.12 -2.36 0.07 0.00 0.01 0.00 0.00 42.46 40.31 3fm8 s ILE 481 CO 0.87 0.12 0.53 -1.58 0.00 0.00 0.00 174.94 174.88 3fm8 s GLN 482 N 1.23 3.04 -0.27 2.79 0.74 -1.26 -1.81 119.66 124.13 3fm8 s GLN 482 Ca -0.03 -1.19 -0.08 0.00 0.05 0.00 0.00 55.36 54.11 3fm8 s GLN 482 Cb -0.18 -4.14 -0.02 0.00 1.10 0.00 0.00 33.01 29.77 3fm8 s GLN 482 CO -0.05 -1.18 0.09 -0.51 -0.55 0.00 0.00 175.29 173.09 3fm8 s LEU 483 N 2.14 3.66 -0.08 3.68 1.43 0.12 -4.96 118.68 124.67 3fm8 s LEU 483 Ca 0.09 -0.35 0.02 0.00 -1.03 0.00 0.00 54.13 52.86 3fm8 s LEU 483 Cb -0.23 -1.94 -0.02 0.00 0.03 0.00 0.00 46.19 44.04 3fm8 s LEU 483 CO 0.08 -0.10 -0.15 0.00 0.23 0.00 0.00 176.35 176.42 3fm8 n GLY 485 N 2.91 2.97 3.66 0.00 0.00 -1.26 -5.05 105.19 108.43 3fm8 n GLY 485 Ca -0.18 -0.84 -0.46 0.00 0.00 0.00 0.00 46.02 44.54 3fm8 n GLY 485 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3fm8 n MET 486 N -0.91 1.99 -0.04 1.61 0.00 -1.26 -2.37 117.12 116.14 3fm8 n MET 486 Ca 0.00 0.71 0.00 0.00 -0.00 0.00 0.00 57.70 58.41 3fm8 n MET 486 Cb 0.00 -2.40 0.00 0.00 0.00 0.00 0.00 33.22 30.82 3fm8 n MET 486 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3fm8 n GLY 487 N 2.58 0.70 3.75 -5.12 0.00 -1.26 -1.25 105.19 104.59 3fm8 n GLY 487 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 3fm8 n GLY 487 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fm8 s ILE 488 N -2.27 5.12 0.46 -0.61 -1.09 -1.00 -4.45 121.20 117.36 3fm8 s ILE 488 Ca 0.00 0.96 -0.08 0.00 -2.23 0.00 0.00 60.65 59.30 3fm8 s ILE 488 Cb 0.00 -3.81 -0.05 0.00 -1.58 0.00 0.00 42.46 37.02 3fm8 s ILE 488 CO 0.00 0.39 0.80 -0.76 -1.23 0.00 0.00 174.94 174.13 3fm8 s LEU 489 N 0.19 3.69 0.18 2.97 1.43 -1.26 -4.82 118.68 121.05 3fm8 s LEU 489 Ca 0.26 1.06 -0.15 0.00 -1.03 0.00 0.00 54.13 54.27 3fm8 s LEU 489 Cb -0.16 -3.99 0.15 0.00 0.03 0.00 0.00 46.19 42.23 3fm8 s LEU 489 CO 0.12 -0.52 1.68 -0.65 0.23 0.00 0.00 176.35 177.21 3fm8 h PRO 490 N 0.66 0.07 -4.53 1.29 0.11 -1.93 -1.57 132.00 126.11 3fm8 h PRO 490 Ca -0.47 -0.00 -0.69 0.00 0.11 0.00 0.00 66.00 64.95 3fm8 h PRO 490 Cb 1.20 -0.02 -0.35 0.00 0.11 0.00 0.00 31.00 31.94 3fm8 h PRO 490 CO 0.63 0.05 -0.58 -1.21 -0.21 0.00 0.00 178.00 176.68 3fm8 s GLU 491 N -6.19 2.03 -0.25 1.05 8.01 -1.26 -0.55 118.70 121.54 3fm8 s GLU 491 Ca -0.14 -1.75 -0.12 0.00 0.01 0.00 0.00 54.97 52.98 3fm8 s GLU 491 Cb 0.15 -3.51 -0.15 0.00 -4.31 0.00 0.00 34.13 26.31 3fm8 s GLU 491 CO 0.72 -1.01 -0.17 1.58 0.01 0.00 0.00 175.26 176.39 3fm8 n HIS 492 N 4.58 0.29 -3.60 1.61 -0.00 -0.20 -4.85 115.22 113.06 3fm8 n HIS 492 Ca -0.03 0.10 -0.14 0.00 0.46 0.00 0.00 57.72 58.11 3fm8 n HIS 492 Cb 0.42 -1.03 -0.06 0.00 -0.12 0.00 0.00 29.99 29.20 3fm8 n HIS 492 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3fm8 s ILE 494 N -2.09 1.05 -0.20 0.00 1.01 -0.99 -0.62 121.20 119.35 3fm8 s ILE 494 Ca -0.07 -0.45 -0.04 0.00 0.00 0.00 0.00 60.65 60.09 3fm8 s ILE 494 Cb -0.01 -0.96 -0.02 0.00 0.01 0.00 0.00 42.46 41.49 3fm8 s ILE 494 CO 0.01 0.33 -0.03 -0.63 0.00 0.00 0.00 174.94 174.62 3fm8 s ILE 495 N 0.54 3.58 -0.17 2.92 1.01 -0.62 -0.93 121.20 127.53 3fm8 s ILE 495 Ca -0.11 -0.44 0.01 0.00 0.00 0.00 0.00 60.65 60.11 3fm8 s ILE 495 Cb -0.14 -2.61 0.01 0.00 0.01 0.00 0.00 42.46 39.73 3fm8 s ILE 495 CO 0.03 0.44 -0.19 -1.81 0.00 0.00 0.00 174.94 173.41 3fm8 s ASP 496 N 1.16 3.28 0.16 3.58 1.01 -0.36 -0.69 116.67 124.81 3fm8 s ASP 496 Ca 0.02 -0.60 -0.11 0.00 0.71 0.00 0.00 52.55 52.57 3fm8 s ASP 496 Cb -0.15 -1.50 -0.07 0.00 1.01 0.00 0.00 42.92 42.21 3fm8 s ASP 496 CO -0.00 0.02 0.51 -0.63 0.21 0.00 0.00 175.17 175.28 3fm8 s ILE 497 N 1.17 4.95 0.26 0.77 1.01 -0.64 -1.11 121.20 127.61 3fm8 s ILE 497 Ca 0.02 0.58 0.05 0.00 0.00 0.00 0.00 60.65 61.29 3fm8 s ILE 497 Cb -0.14 -3.67 -0.03 0.00 0.01 0.00 0.00 42.46 38.63 3fm8 s ILE 497 CO -0.09 0.13 0.39 -0.89 0.00 0.00 0.00 174.94 174.48 3fm8 s THR 498 N -1.58 5.17 -0.72 2.92 2.01 -1.26 -4.86 115.64 117.32 3fm8 s THR 498 Ca 0.40 -0.94 0.00 0.00 0.31 0.00 0.00 61.69 61.46 3fm8 s THR 498 Cb -0.13 -3.83 0.00 0.00 0.01 0.00 0.00 72.50 68.55 3fm8 s THR 498 CO 0.20 -0.34 0.27 -1.54 -0.69 0.00 0.00 174.62 172.52 3fm8 n SER 499 N -1.46 0.66 -4.15 3.53 3.41 -1.26 -5.15 113.62 109.20 3fm8 n SER 499 Ca -0.08 -0.84 -0.30 0.00 -0.26 0.00 0.00 58.87 57.39 3fm8 n SER 499 Cb 0.57 -0.21 -0.17 0.00 -0.26 0.00 0.00 64.21 64.14 3fm8 n SER 499 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3fm8 s VAL 503 N -0.56 1.75 -0.16 -3.33 1.01 -1.26 -5.30 120.40 112.55 3fm8 s VAL 503 Ca 0.00 -0.83 -0.03 0.00 0.00 0.00 0.00 61.98 61.13 3fm8 s VAL 503 Cb 0.00 -1.54 0.05 0.00 0.00 0.00 0.00 36.38 34.89 3fm8 s VAL 503 CO 0.00 0.49 0.03 -0.32 0.00 0.00 0.00 175.10 175.30 3fm8 s MET 504 N 0.53 0.61 -0.23 2.72 -2.45 -0.27 -0.95 119.30 119.26 3fm8 s MET 504 Ca -0.16 -0.26 -0.12 0.00 -1.25 0.00 0.00 55.69 53.91 3fm8 s MET 504 Cb -0.17 -1.79 -0.05 0.00 1.25 0.00 0.00 34.83 34.08 3fm8 s MET 504 CO 0.06 -0.55 0.24 -1.17 1.05 0.00 0.00 175.02 174.64 3fm8 s LEU 505 N 1.91 4.12 -0.26 4.11 0.20 -0.34 -1.22 118.68 127.19 3fm8 s LEU 505 Ca 0.01 0.22 0.03 0.00 0.69 0.00 0.00 54.13 55.08 3fm8 s LEU 505 Cb -0.16 -2.23 0.06 0.00 -0.43 0.00 0.00 46.19 43.43 3fm8 s LEU 505 CO -0.07 0.01 -0.11 0.28 -0.29 0.00 0.00 176.35 176.17 3fm8 s THR 506 N 1.21 2.12 0.48 3.68 -1.32 -0.11 -1.76 115.64 119.95 3fm8 s THR 506 Ca 0.11 -1.59 -0.17 0.00 -1.21 0.00 0.00 61.69 58.83 3fm8 s THR 506 Cb -0.14 -2.23 -0.08 0.00 -1.51 0.00 0.00 72.50 68.53 3fm8 s THR 506 CO 0.06 -0.03 0.95 -2.16 -2.21 0.00 0.00 174.62 171.24 3fm8 s PRO 507 N 1.13 3.99 1.00 7.08 0.04 -1.26 -2.34 135.00 144.63 3fm8 s PRO 507 Ca -0.08 0.94 -0.12 0.00 0.04 0.00 0.00 61.00 61.77 3fm8 s PRO 507 Cb -0.20 -2.18 0.19 0.00 0.04 0.00 0.00 34.50 32.35 3fm8 s PRO 507 CO -0.05 -0.19 1.08 -0.65 0.04 0.00 0.00 177.00 177.23 3fm8 s GLN 508 N -3.83 0.44 0.57 4.56 -1.52 -0.95 -4.91 119.66 114.03 3fm8 s GLN 508 Ca 0.59 0.80 -0.16 0.00 -1.95 0.00 0.00 55.36 54.64 3fm8 s GLN 508 Cb -0.10 -1.72 -0.05 0.00 -0.22 0.00 0.00 33.01 30.93 3fm8 s GLN 508 CO 0.27 -2.80 1.03 0.15 -0.25 0.00 0.00 175.29 173.70 3fm8 s LYS 509 N -4.80 3.50 -1.20 2.91 1.02 -1.26 -3.88 119.74 116.03 3fm8 s LYS 509 Ca 0.65 1.10 0.00 0.00 0.02 0.00 0.00 55.97 57.74 3fm8 s LYS 509 Cb -0.20 -2.06 0.00 0.00 -0.52 0.00 0.00 37.83 35.04 3fm8 s LYS 509 CO 0.59 -0.65 0.00 0.09 -0.92 0.00 0.00 175.35 174.46 3fm8 n ASN 510 N -1.97 -4.94 -4.31 2.83 3.02 -1.26 -4.96 115.26 103.67 3fm8 n ASN 510 Ca 0.08 0.28 -0.33 0.00 -0.03 0.00 0.00 54.58 54.58 3fm8 n ASN 510 Cb 0.53 -3.43 -0.15 0.00 -0.61 0.00 0.00 39.78 36.12 3fm8 n ASN 510 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3fm8 s THR 511 N -2.23 2.84 0.03 3.41 -4.23 -1.25 -5.09 115.64 109.13 3fm8 s THR 511 Ca 0.00 -0.72 -0.30 0.00 -1.18 0.00 0.00 61.69 59.49 3fm8 s THR 511 Cb 0.00 -2.20 -0.06 0.00 1.34 0.00 0.00 72.50 71.58 3fm8 s THR 511 CO 0.00 0.51 1.32 0.00 -0.54 0.00 0.00 174.62 175.92 3fm8 s ARG 512 N 0.66 4.34 -0.12 3.99 3.03 -1.26 -4.92 118.95 124.67 3fm8 s ARG 512 Ca -0.07 1.90 -0.07 0.00 2.03 0.00 0.00 55.73 59.53 3fm8 s ARG 512 Cb -0.16 -3.44 0.05 0.00 -1.03 0.00 0.00 34.95 30.37 3fm8 s ARG 512 CO 0.02 -0.45 0.28 0.99 -1.13 0.00 0.00 175.30 175.02 3fm8 s THR 513 N 1.75 -0.03 -0.05 4.99 2.01 -1.26 -3.37 115.64 119.67 3fm8 s THR 513 Ca 0.62 0.12 0.05 0.00 0.31 0.00 0.00 61.69 62.78 3fm8 s THR 513 Cb -0.31 -0.43 -0.01 0.00 0.01 0.00 0.00 72.50 71.76 3fm8 s THR 513 CO 0.27 0.05 -0.20 -0.36 -0.69 0.00 0.00 174.62 173.69 3fm8 s PHE 514 N 1.15 2.00 -0.16 4.92 0.40 -0.81 -0.22 117.98 125.26 3fm8 s PHE 514 Ca -0.08 -0.58 0.02 0.00 -0.60 0.00 0.00 56.93 55.68 3fm8 s PHE 514 Cb -0.09 -1.33 0.01 0.00 0.51 0.00 0.00 43.02 42.13 3fm8 s PHE 514 CO -0.08 -0.19 -0.21 0.08 0.70 0.00 0.00 175.22 175.52 3fm8 s VAL 515 N -0.04 2.08 -1.48 -0.44 1.01 -0.32 -1.32 120.40 119.88 3fm8 s VAL 515 Ca -0.04 -0.95 -0.07 0.00 0.00 0.00 0.00 61.98 60.92 3fm8 s VAL 515 Cb -0.12 -1.85 0.05 0.00 0.00 0.00 0.00 36.38 34.46 3fm8 s VAL 515 CO 0.03 0.54 0.64 0.59 0.00 0.00 0.00 175.10 176.90 3fm8 n ASN 516 N 4.33 -1.88 0.00 3.32 3.02 0.41 -2.03 115.26 122.43 3fm8 n ASN 516 Ca -0.20 -0.94 0.00 0.00 -0.03 0.00 0.00 54.58 53.41 3fm8 n ASN 516 Cb 0.51 -3.28 0.00 0.00 -0.61 0.00 0.00 39.78 36.40 3fm8 n ASN 516 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fm8 n GLY 517 N -1.74 1.66 3.33 7.41 0.00 -1.26 -5.00 105.19 109.58 3fm8 n GLY 517 Ca -0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 3fm8 n GLY 517 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fm8 s SER 518 N -3.32 3.09 0.46 1.61 1.04 -0.86 -5.04 113.70 110.69 3fm8 s SER 518 Ca 0.00 -0.54 -0.24 0.00 0.48 0.00 0.00 55.95 55.65 3fm8 s SER 518 Cb 0.00 -0.30 -0.07 0.00 0.10 0.00 0.00 66.02 65.74 3fm8 s SER 518 CO 0.00 0.28 1.25 -0.94 0.98 0.00 0.00 173.24 174.80 3fm8 s SER 519 N -1.01 6.05 -0.09 7.02 1.04 -1.26 -1.18 113.70 124.27 3fm8 s SER 519 Ca 0.11 2.51 0.00 0.00 0.48 0.00 0.00 55.95 59.05 3fm8 s SER 519 Cb -0.10 -2.62 0.02 0.00 0.10 0.00 0.00 66.02 63.42 3fm8 s SER 519 CO 0.01 -1.02 -0.08 -0.69 0.98 0.00 0.00 173.24 172.44 3fm8 s VAL 520 N -1.40 0.99 -0.11 5.02 1.01 0.69 -4.85 120.40 121.75 3fm8 s VAL 520 Ca 0.63 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 62.30 3fm8 s VAL 520 Cb -0.34 -0.98 0.03 0.00 0.00 0.00 0.00 36.38 35.08 3fm8 s VAL 520 CO 0.42 0.35 0.92 -1.54 0.00 0.00 0.00 175.10 175.24 3fm8 n SER 521 N 4.54 1.87 -3.88 3.32 3.41 -1.26 -4.24 113.62 117.38 3fm8 n SER 521 Ca -0.16 -1.79 -0.09 0.00 -0.26 0.00 0.00 58.87 56.57 3fm8 n SER 521 Cb 0.51 -0.02 -0.05 0.00 -0.26 0.00 0.00 64.21 64.39 3fm8 n SER 521 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3fm8 s SER 522 N -0.80 -0.15 0.21 4.04 1.04 -1.26 -4.92 113.70 111.86 3fm8 s SER 522 Ca 0.02 -0.72 -0.31 0.00 0.48 0.00 0.00 55.95 55.42 3fm8 s SER 522 Cb 0.01 0.57 -0.15 0.00 0.10 0.00 0.00 66.02 66.55 3fm8 s SER 522 CO 0.02 -1.09 1.09 -2.65 0.98 0.00 0.00 173.24 171.58 3fm8 n PRO 523 N -0.35 1.15 -3.82 4.02 -0.02 -1.26 -4.74 135.00 129.98 3fm8 n PRO 523 Ca -0.06 0.41 -0.12 0.00 -2.02 0.00 0.00 63.50 61.71 3fm8 n PRO 523 Cb 0.62 -1.84 -0.10 0.00 -0.02 0.00 0.00 33.50 32.15 3fm8 n PRO 523 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 3fm8 s ILE 524 N -0.48 0.04 0.02 4.25 2.07 -0.72 -5.01 121.20 121.37 3fm8 s ILE 524 Ca 0.69 -0.36 -0.24 0.00 -1.41 0.00 0.00 60.65 59.32 3fm8 s ILE 524 Cb -0.81 -0.42 -0.05 0.00 0.13 0.00 0.00 42.46 41.31 3fm8 s ILE 524 CO 0.55 -0.20 0.74 -1.58 -1.91 0.00 0.00 174.94 172.54 3fm8 s GLN 525 N -0.75 4.46 -0.07 3.50 0.74 -1.26 -1.20 119.66 125.08 3fm8 s GLN 525 Ca -0.08 1.00 -0.08 0.00 0.05 0.00 0.00 55.36 56.25 3fm8 s GLN 525 Cb -0.05 -3.38 -0.04 0.00 1.10 0.00 0.00 33.01 30.64 3fm8 s GLN 525 CO 0.02 0.24 0.21 -0.51 -0.55 0.00 0.00 175.29 174.69 3fm8 s LEU 526 N 0.13 4.40 0.37 3.68 1.43 -0.12 -4.97 118.68 123.60 3fm8 s LEU 526 Ca 0.38 0.56 0.08 0.00 -1.03 0.00 0.00 54.13 54.12 3fm8 s LEU 526 Cb -0.20 -2.31 -0.06 0.00 0.03 0.00 0.00 46.19 43.66 3fm8 s LEU 526 CO 0.21 0.36 0.05 -1.00 0.23 0.00 0.00 176.35 176.21 3fm8 s HIS 527 N -1.11 2.56 0.34 0.29 3.76 -1.26 -4.24 115.29 115.62 3fm8 s HIS 527 Ca 0.20 -0.51 -0.28 0.00 -0.15 0.00 0.00 55.06 54.31 3fm8 s HIS 527 Cb -0.13 -1.65 -0.12 0.00 1.11 0.00 0.00 32.58 31.79 3fm8 s HIS 527 CO 0.09 0.40 1.34 1.58 -0.85 0.00 0.00 174.74 177.30 3fm8 n HIS 528 N -1.03 2.40 -0.96 1.40 -0.00 -1.26 -2.17 115.22 113.61 3fm8 n HIS 528 Ca -0.03 0.51 0.00 0.00 0.46 0.00 0.00 57.72 58.66 3fm8 n HIS 528 Cb 0.64 -2.45 0.00 0.00 -0.12 0.00 0.00 29.99 28.06 3fm8 n HIS 528 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3fm8 n GLY 529 N 0.91 0.58 3.77 1.57 0.00 0.38 -5.00 105.19 107.40 3fm8 n GLY 529 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 3fm8 n GLY 529 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3fm8 s ASP 530 N -2.34 6.37 -0.14 1.61 1.11 -0.92 -4.73 116.67 117.63 3fm8 s ASP 530 Ca 0.00 2.68 -0.03 0.00 0.18 0.00 0.00 52.55 55.38 3fm8 s ASP 530 Cb 0.00 -2.64 -0.03 0.00 1.07 0.00 0.00 42.92 41.32 3fm8 s ASP 530 CO 0.00 -0.81 -0.03 -0.13 1.18 0.00 0.00 175.17 175.38 3fm8 s ARG 531 N -2.17 3.48 -0.12 8.23 0.52 -1.26 -0.58 118.95 127.05 3fm8 s ARG 531 Ca 0.56 -0.50 0.02 0.00 -0.52 0.00 0.00 55.73 55.28 3fm8 s ARG 531 Cb -0.39 -2.87 -0.00 0.00 0.52 0.00 0.00 34.95 32.21 3fm8 s ARG 531 CO 0.50 0.36 -0.19 0.42 0.02 0.00 0.00 175.30 176.40 3fm8 s ILE 532 N 0.05 2.44 -0.21 1.52 1.01 -0.05 -0.45 121.20 125.51 3fm8 s ILE 532 Ca 0.00 -0.88 -0.03 0.00 0.00 0.00 0.00 60.65 59.75 3fm8 s ILE 532 Cb -0.13 -1.98 -0.00 0.00 0.01 0.00 0.00 42.46 40.35 3fm8 s ILE 532 CO 0.03 0.54 -0.08 -0.22 0.00 0.00 0.00 174.94 175.21 3fm8 s LEU 533 N 0.42 2.74 -0.09 2.97 2.96 -0.44 -0.79 118.68 126.45 3fm8 s LEU 533 Ca -0.14 -0.45 0.00 0.00 -0.22 0.00 0.00 54.13 53.32 3fm8 s LEU 533 Cb -0.17 -1.68 -0.03 0.00 0.50 0.00 0.00 46.19 44.81 3fm8 s LEU 533 CO 0.06 -0.02 -0.08 0.26 -1.32 0.00 0.00 176.35 175.25 3fm8 s TRP 534 N 1.44 2.91 0.00 5.38 0.51 0.87 -1.92 118.94 128.12 3fm8 s TRP 534 Ca 0.06 -0.16 0.00 0.00 -2.12 0.00 0.00 56.10 53.87 3fm8 s TRP 534 Cb -0.14 -1.77 0.00 0.00 -0.81 0.00 0.00 33.47 30.75 3fm8 s TRP 534 CO -0.05 0.16 0.00 0.41 -0.51 0.00 0.00 176.95 176.96 3fm8 n GLY 535 N 2.68 1.62 0.16 0.98 0.00 -1.22 -1.76 105.19 107.65 3fm8 n GLY 535 Ca -0.18 -0.48 -0.14 0.00 0.00 0.00 0.00 46.02 45.23 3fm8 n GLY 535 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3fm8 h ASN 536 N 6.04 0.51 -0.03 1.61 -1.24 -1.50 -3.41 115.58 117.56 3fm8 h ASN 536 Ca 0.00 -0.55 -0.15 0.00 0.71 0.00 0.00 56.30 56.30 3fm8 h ASN 536 Cb 0.00 -0.15 -0.20 0.00 0.73 0.00 0.00 38.32 38.71 3fm8 h ASN 536 CO 0.00 0.96 -0.47 -3.20 -1.29 0.00 0.00 177.43 173.43 3fm8 n ASN 537 N -4.40 -0.58 -4.40 1.15 5.15 -1.24 -5.03 115.26 105.89 3fm8 n ASN 537 Ca -0.07 -2.05 -0.44 0.00 -0.60 0.00 0.00 54.58 51.42 3fm8 n ASN 537 Cb 0.46 0.23 -0.04 0.00 -0.53 0.00 0.00 39.78 39.90 3fm8 n ASN 537 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 3fm8 s HIS 538 N -0.23 2.94 -0.23 1.20 3.76 -0.72 -4.99 115.29 117.02 3fm8 s HIS 538 Ca 0.10 -0.92 0.01 0.00 -0.15 0.00 0.00 55.06 54.10 3fm8 s HIS 538 Cb 0.18 -4.12 0.05 0.00 1.11 0.00 0.00 32.58 29.80 3fm8 s HIS 538 CO -0.06 -1.41 -0.09 0.12 -0.85 0.00 0.00 174.74 172.44 3fm8 s PHE 539 N 3.01 2.66 0.15 1.40 5.36 -1.26 -0.09 117.98 129.21 3fm8 s PHE 539 Ca 0.17 -1.86 0.05 0.00 -0.96 0.00 0.00 56.93 54.34 3fm8 s PHE 539 Cb -0.19 -1.71 -0.04 0.00 -0.34 0.00 0.00 43.02 40.73 3fm8 s PHE 539 CO 0.05 -0.80 -0.12 -0.06 -1.46 0.00 0.00 175.22 172.83 3fm8 s PHE 540 N 1.31 1.38 -0.08 10.12 0.40 0.03 -0.60 117.98 130.54 3fm8 s PHE 540 Ca -0.05 -0.65 0.04 0.00 -0.60 0.00 0.00 56.93 55.67 3fm8 s PHE 540 Cb -0.18 -0.69 -0.01 0.00 0.51 0.00 0.00 43.02 42.64 3fm8 s PHE 540 CO -0.07 0.15 -0.20 0.50 0.70 0.00 0.00 175.22 176.30 3fm8 s ARG 541 N -3.32 2.78 -0.06 0.44 3.52 -0.22 -0.87 118.95 121.21 3fm8 s ARG 541 Ca 0.15 -0.81 -0.25 0.00 -0.13 0.00 0.00 55.73 54.69 3fm8 s ARG 541 Cb -0.01 -2.32 -0.03 0.00 -1.56 0.00 0.00 34.95 31.03 3fm8 s ARG 541 CO 0.02 0.37 0.75 -1.17 -0.81 0.00 0.00 175.30 174.47 3fm8 s LEU 542 N -0.11 4.31 -0.26 -0.88 2.96 0.25 -0.74 118.68 124.21 3fm8 s LEU 542 Ca -0.04 1.26 0.01 0.00 -0.22 0.00 0.00 54.13 55.14 3fm8 s LEU 542 Cb -0.14 -3.17 0.05 0.00 0.50 0.00 0.00 46.19 43.43 3fm8 s LEU 542 CO 0.04 -0.16 -0.09 0.21 -1.32 0.00 0.00 176.35 175.02 3fm8 s ASN 543 N 0.86 4.35 -0.10 3.68 3.84 0.18 -0.47 114.94 127.29 3fm8 s ASN 543 Ca 0.40 -1.20 -0.10 0.00 0.21 0.00 0.00 52.86 52.16 3fm8 s ASN 543 Cb -0.18 -1.59 -0.05 0.00 -0.55 0.00 0.00 41.25 38.88 3fm8 s ASN 543 CO 0.19 -0.17 0.23 -0.76 -2.79 0.00 0.00 177.10 173.80 3fm8 s LEU 544 N 1.19 4.38 0.00 3.21 1.43 -1.26 -0.86 118.68 126.77 3fm8 s LEU 544 Ca -0.05 0.58 0.28 0.00 -1.03 0.00 0.00 54.13 53.91 3fm8 s LEU 544 Cb -0.19 -2.24 1.68 0.00 0.03 0.00 0.00 46.19 45.47 3fm8 s LEU 544 CO -0.05 0.33 2.02 -0.81 0.23 0.00 0.00 176.35 178.07