#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kdk s VAL 436 N 0.00 0.00 1.11 1.55 0.11 -1.26 -5.00 120.40 116.91 3kdk s VAL 436 Ca 0.00 0.00 -0.13 0.00 -2.93 0.00 0.00 61.98 58.92 3kdk s VAL 436 Cb 0.00 -1.00 0.25 0.00 -1.53 0.00 0.00 36.38 34.10 3kdk s VAL 436 CO 0.00 0.00 1.05 -2.84 -3.33 0.00 0.00 175.10 169.98 3kdk s PRO 437 N -0.27 -0.46 -0.04 1.54 0.02 -1.26 -4.89 135.00 129.64 3kdk s PRO 437 Ca -0.04 0.68 -0.39 0.00 0.02 0.00 0.00 61.00 61.27 3kdk s PRO 437 Cb -0.03 -1.62 -0.18 0.00 0.02 0.00 0.00 34.50 32.70 3kdk s PRO 437 CO 0.04 -3.38 1.36 -0.89 -0.33 0.00 0.00 177.00 173.81 3kdk n ILE 438 N -4.65 0.05 -3.92 2.83 5.41 -1.26 -4.95 119.36 112.87 3kdk n ILE 438 Ca 0.04 -0.01 -0.35 0.00 1.00 0.00 0.00 62.75 63.43 3kdk n ILE 438 Cb 0.56 -0.66 -0.09 0.00 -0.71 0.00 0.00 39.64 38.73 3kdk n ILE 438 CO 0.00 0.00 0.00 -0.04 0.00 0.00 0.00 176.55 176.51 3kdk s MET 439 N 1.04 4.02 -0.26 0.38 -1.94 -1.26 -4.68 119.30 116.60 3kdk s MET 439 Ca 0.90 -0.32 -0.10 0.00 -1.71 0.00 0.00 55.69 54.46 3kdk s MET 439 Cb -1.09 -3.28 -0.05 0.00 2.01 0.00 0.00 34.83 32.42 3kdk s MET 439 CO 0.55 0.25 0.16 0.71 -0.01 0.00 0.00 175.02 176.69 3kdk s TYR 440 N 0.44 3.23 0.31 -0.03 2.02 0.65 -4.87 117.35 119.10 3kdk s TYR 440 Ca 0.04 0.09 -0.29 0.00 -0.37 0.00 0.00 57.07 56.55 3kdk s TYR 440 Cb -0.12 -2.32 -0.13 0.00 -0.40 0.00 0.00 41.96 38.99 3kdk s TYR 440 CO 0.00 -0.11 1.26 -2.30 -1.57 0.00 0.00 175.55 172.83 3kdk n PRO 441 N 4.78 1.95 -0.09 -1.71 -0.02 -1.26 -0.86 135.00 137.79 3kdk n PRO 441 Ca -0.15 0.69 -0.15 0.00 -2.02 0.00 0.00 63.50 61.87 3kdk n PRO 441 Cb 0.52 -2.24 -0.08 0.00 -0.02 0.00 0.00 33.50 31.68 3kdk n PRO 441 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3kdk n ILE 442 N 0.62 1.05 -3.55 4.25 5.41 0.18 -4.83 119.36 122.49 3kdk n ILE 442 Ca 0.07 -0.35 0.00 0.00 1.00 0.00 0.00 62.75 63.47 3kdk n ILE 442 Cb 0.34 -1.36 0.00 0.00 -0.71 0.00 0.00 39.64 37.92 3kdk n ILE 442 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3kdk n GLY 443 N 2.34 -0.71 3.17 7.39 0.00 -0.89 -5.00 105.19 111.48 3kdk n GLY 443 Ca -0.34 -0.92 -0.09 0.00 0.00 0.00 0.00 46.02 44.67 3kdk n GLY 443 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3kdk s GLN 444 N -1.09 0.90 -0.07 1.61 1.03 -1.26 -0.20 119.66 120.57 3kdk s GLN 444 Ca 0.00 -1.36 -0.07 0.00 0.04 0.00 0.00 55.36 53.97 3kdk s GLN 444 Cb 0.00 0.26 0.02 0.00 0.03 0.00 0.00 33.01 33.32 3kdk s GLN 444 CO 0.00 -0.26 0.20 0.00 -2.54 0.00 0.00 175.29 172.69 3kdk s MET 445 N -4.01 0.23 -1.76 9.60 0.23 0.24 -4.88 119.30 118.94 3kdk s MET 445 Ca 0.20 0.28 0.00 0.00 -1.03 0.00 0.00 55.69 55.14 3kdk s MET 445 Cb 0.07 0.11 0.00 0.00 -1.53 0.00 0.00 34.83 33.47 3kdk s MET 445 CO -0.01 -0.03 0.00 0.72 -2.03 0.00 0.00 175.02 173.67 3kdk n HIS 446 N 3.01 -0.06 -1.87 3.16 8.25 -1.26 -0.88 115.22 125.57 3kdk n HIS 446 Ca -0.13 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.13 3kdk n HIS 446 Cb 0.58 -3.11 -0.06 0.00 1.12 0.00 0.00 29.99 28.52 3kdk n HIS 446 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kdk n GLY 447 N -0.17 1.03 0.00 -1.41 0.00 -1.26 -4.80 105.19 98.58 3kdk n GLY 447 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 3kdk n GLY 447 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3kdk n THR 448 N -2.88 0.00 -4.62 2.61 -1.04 -0.06 -4.92 114.28 103.37 3kdk n THR 448 Ca -0.21 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.53 3kdk n THR 448 Cb 0.66 -0.41 -0.14 0.00 -1.82 0.00 0.00 70.33 68.62 3kdk n THR 448 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 3kdk s TYR 449 N -1.80 2.04 -0.09 -1.42 2.02 -0.96 -1.39 117.35 115.74 3kdk s TYR 449 Ca 0.00 -0.39 -0.02 0.00 -0.37 0.00 0.00 57.07 56.29 3kdk s TYR 449 Cb 0.00 -1.18 -0.03 0.00 -0.40 0.00 0.00 41.96 40.35 3kdk s TYR 449 CO 0.00 0.16 0.00 0.42 -1.57 0.00 0.00 175.55 174.56 3kdk s ILE 450 N -0.90 4.30 -0.16 2.71 1.01 0.17 -0.59 121.20 127.73 3kdk s ILE 450 Ca 0.10 -0.25 -0.05 0.00 0.00 0.00 0.00 60.65 60.45 3kdk s ILE 450 Cb -0.10 -2.82 -0.03 0.00 0.01 0.00 0.00 42.46 39.53 3kdk s ILE 450 CO 0.03 0.59 -0.01 -0.76 0.00 0.00 0.00 174.94 174.79 3kdk s LEU 451 N -0.75 3.42 0.23 2.97 1.02 0.72 0.12 118.68 126.41 3kdk s LEU 451 Ca 0.12 -0.06 -0.06 0.00 0.02 0.00 0.00 54.13 54.15 3kdk s LEU 451 Cb -0.12 -1.83 -0.02 0.00 0.02 0.00 0.00 46.19 44.24 3kdk s LEU 451 CO 0.02 0.18 0.29 0.00 0.02 0.00 0.00 176.35 176.86 3kdk s ALA 452 N 0.29 0.59 0.05 4.21 0.00 0.27 0.47 121.76 127.64 3kdk s ALA 452 Ca -0.01 -1.36 -0.18 0.00 0.00 0.00 0.00 51.96 50.41 3kdk s ALA 452 Cb -0.13 1.25 0.04 0.00 0.00 0.00 0.00 23.12 24.27 3kdk s ALA 452 CO 0.02 -0.71 0.41 1.14 0.00 0.00 0.00 175.76 176.62 3kdk s GLN 453 N -4.05 0.93 0.00 0.00 1.03 -0.04 -0.04 119.66 117.50 3kdk s GLN 453 Ca 0.32 -0.42 0.00 0.00 0.04 0.00 0.00 55.36 55.30 3kdk s GLN 453 Cb 0.03 0.42 0.00 0.00 0.03 0.00 0.00 33.01 33.49 3kdk s GLN 453 CO 0.11 -0.33 0.00 0.27 -2.54 0.00 0.00 175.29 172.81 3kdk n ASN 454 N 0.41 0.00 0.20 12.60 0.23 -1.01 -0.25 115.26 127.44 3kdk n ASN 454 Ca -0.18 -0.54 0.17 0.00 -0.53 0.00 0.00 54.58 53.50 3kdk n ASN 454 Cb 0.60 0.00 0.83 0.00 -2.08 0.00 0.00 39.78 39.13 3kdk n ASN 454 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 3kdk h GLU 455 N 0.00 0.00 -0.01 -3.83 4.81 -2.00 -1.93 114.58 111.62 3kdk h GLU 455 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3kdk h GLU 455 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3kdk h GLU 455 CO 0.00 0.00 -0.08 0.09 -0.73 0.00 0.00 179.01 178.29 3kdk n ASN 456 N -3.77 0.77 0.00 1.04 3.02 -1.26 -4.80 115.26 110.26 3kdk n ASN 456 Ca 0.02 -0.96 0.00 0.00 -0.03 0.00 0.00 54.58 53.61 3kdk n ASN 456 Cb 0.35 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.51 3kdk n ASN 456 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kdk n GLY 457 N 1.21 0.17 3.66 7.41 0.00 -0.73 -1.19 105.19 115.73 3kdk n GLY 457 Ca 0.17 -1.95 -0.35 0.00 0.00 0.00 0.00 46.02 43.90 3kdk n GLY 457 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kdk s LEU 458 N 0.00 3.51 -0.14 0.99 2.96 -0.10 -2.40 118.68 123.50 3kdk s LEU 458 Ca 0.00 0.11 0.01 0.00 -0.22 0.00 0.00 54.13 54.03 3kdk s LEU 458 Cb 0.00 -1.80 0.02 0.00 0.50 0.00 0.00 46.19 44.91 3kdk s LEU 458 CO 0.00 0.36 -0.16 -0.31 -1.32 0.00 0.00 176.35 174.92 3kdk s TYR 459 N -0.79 2.27 -0.24 5.38 1.51 0.95 -0.99 117.35 125.44 3kdk s TYR 459 Ca 0.12 -1.22 -0.07 0.00 -1.01 0.00 0.00 57.07 54.89 3kdk s TYR 459 Cb -0.11 -1.63 -0.03 0.00 -0.11 0.00 0.00 41.96 40.08 3kdk s TYR 459 CO 0.02 -0.63 0.07 0.42 -1.11 0.00 0.00 175.55 174.33 3kdk s ILE 460 N 1.22 4.40 -0.14 2.71 1.01 -0.08 -0.56 121.20 129.76 3kdk s ILE 460 Ca -0.00 -0.14 0.02 0.00 0.00 0.00 0.00 60.65 60.52 3kdk s ILE 460 Cb -0.14 -3.05 0.01 0.00 0.01 0.00 0.00 42.46 39.29 3kdk s ILE 460 CO -0.07 0.35 -0.19 -0.63 0.00 0.00 0.00 174.94 174.39 3kdk s ILE 461 N 1.50 1.88 -0.47 2.92 1.01 0.12 -1.27 121.20 126.88 3kdk s ILE 461 Ca 0.06 -0.86 -0.29 0.00 0.00 0.00 0.00 60.65 59.56 3kdk s ILE 461 Cb -0.15 -1.69 0.03 0.00 0.01 0.00 0.00 42.46 40.66 3kdk s ILE 461 CO 0.04 0.51 1.17 -0.62 0.00 0.00 0.00 174.94 176.05 3kdk s ASP 462 N 0.98 6.59 0.17 3.58 -1.08 -0.65 0.41 116.67 126.67 3kdk s ASP 462 Ca -0.04 0.50 -0.16 0.00 -0.52 0.00 0.00 52.55 52.33 3kdk s ASP 462 Cb -0.15 -2.55 0.12 0.00 -1.46 0.00 0.00 42.92 38.88 3kdk s ASP 462 CO -0.04 -1.28 1.67 1.56 0.52 0.00 0.00 175.17 177.60 3kdk h GLN 463 N 9.43 0.03 0.22 4.34 4.20 -1.57 -1.13 115.11 130.63 3kdk h GLN 463 Ca -0.24 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.46 3kdk h GLN 463 Cb 1.07 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.84 3kdk h GLN 463 CO 1.13 0.02 -0.10 1.25 -0.67 0.00 0.00 178.83 180.45 3kdk h HIS 464 N 0.03 -0.27 -0.53 2.96 2.76 -1.92 -1.60 115.15 116.58 3kdk h HIS 464 Ca 0.21 -0.01 0.08 0.00 -2.20 0.00 0.00 60.37 58.45 3kdk h HIS 464 Cb 0.31 0.09 -0.07 0.00 1.55 0.00 0.00 27.41 29.30 3kdk h HIS 464 CO -0.34 -0.13 0.17 0.00 -1.30 0.00 0.00 177.93 176.33 3kdk h ALA 465 N 0.43 0.65 -0.93 5.26 0.00 -1.86 -1.09 119.26 121.72 3kdk h ALA 465 Ca -0.03 0.08 0.13 0.00 0.00 0.00 0.00 54.91 55.09 3kdk h ALA 465 Cb 0.27 0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.04 3kdk h ALA 465 CO 0.05 -0.23 0.55 0.00 0.00 0.00 0.00 179.25 179.62 3kdk h ALA 466 N 1.37 1.40 0.00 0.00 0.00 -0.82 -2.00 119.26 119.21 3kdk h ALA 466 Ca 0.26 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 55.10 3kdk h ALA 466 Cb 0.32 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3kdk h ALA 466 CO -0.29 0.10 -0.56 1.96 0.00 0.00 0.00 179.25 180.47 3kdk h GLN 467 N 0.84 0.00 -0.28 0.00 4.20 -0.25 -1.77 115.11 117.86 3kdk h GLN 467 Ca 0.47 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 59.16 3kdk h GLN 467 Cb 0.53 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 3kdk h GLN 467 CO -0.29 0.56 0.09 0.93 -0.67 0.00 0.00 178.83 179.45 3kdk h GLU 468 N 0.00 0.43 -0.65 1.46 5.08 -0.64 -1.63 114.58 118.63 3kdk h GLU 468 Ca -0.01 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 3kdk h GLU 468 Cb 1.04 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.20 3kdk h GLU 468 CO 0.07 0.48 0.28 -0.09 -1.00 0.00 0.00 179.01 178.76 3kdk h ARG 469 N 0.29 0.96 -0.32 2.33 9.65 -1.13 0.97 114.38 127.13 3kdk h ARG 469 Ca 0.09 -0.16 -0.15 0.00 -1.10 0.00 0.00 59.98 58.66 3kdk h ARG 469 Cb 0.23 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 28.64 3kdk h ARG 469 CO -0.00 0.79 -0.39 0.82 2.80 0.00 0.00 179.97 183.98 3kdk h ILE 470 N 0.91 1.29 -0.37 1.20 2.04 -1.33 -1.89 117.51 119.36 3kdk h ILE 470 Ca 0.22 -1.56 -0.15 0.00 1.00 0.00 0.00 64.86 64.37 3kdk h ILE 470 Cb 0.17 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 3kdk h ILE 470 CO -0.02 0.51 -0.35 0.11 0.00 0.00 0.00 178.15 178.40 3kdk h LYS 471 N 0.62 0.86 0.03 2.37 1.57 -1.09 -3.08 116.57 117.86 3kdk h LYS 471 Ca 0.05 -0.42 0.01 0.00 -1.87 0.00 0.00 60.65 58.42 3kdk h LYS 471 Cb 0.94 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.24 3kdk h LYS 471 CO 0.09 1.07 -0.08 -0.92 -0.57 0.00 0.00 179.45 179.03 3kdk h TYR 472 N 0.71 -0.21 -0.76 -1.35 3.20 -0.64 -0.44 116.97 117.49 3kdk h TYR 472 Ca 0.07 0.00 0.14 0.00 3.14 0.00 0.00 58.73 62.09 3kdk h TYR 472 Cb 0.91 0.09 -0.05 0.00 1.54 0.00 0.00 36.73 39.22 3kdk h TYR 472 CO 0.05 -0.13 0.50 0.93 -1.64 0.00 0.00 178.16 177.88 3kdk h GLU 473 N -0.16 0.44 0.13 1.82 4.39 -1.33 0.17 114.58 120.05 3kdk h GLU 473 Ca 0.02 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 3kdk h GLU 473 Cb 0.18 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 3kdk h GLU 473 CO -0.06 0.29 -0.06 -0.92 -1.16 0.00 0.00 179.01 177.10 3kdk h TYR 474 N 0.45 -0.17 -0.31 4.33 3.20 -1.32 -3.19 116.97 119.97 3kdk h TYR 474 Ca 0.37 -0.00 -0.14 0.00 3.14 0.00 0.00 58.73 62.10 3kdk h TYR 474 Cb 0.80 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 39.12 3kdk h TYR 474 CO -0.00 0.27 -0.37 0.74 -1.64 0.00 0.00 178.16 177.16 3kdk h PHE 475 N -0.70 0.85 -0.79 -3.82 0.04 -0.28 -1.80 116.94 110.43 3kdk h PHE 475 Ca -0.02 -0.24 0.10 0.00 2.80 0.00 0.00 57.97 60.61 3kdk h PHE 475 Cb 0.52 -0.18 -0.08 0.00 2.20 0.00 0.00 35.95 38.41 3kdk h PHE 475 CO 0.08 0.98 0.42 -0.09 -0.60 0.00 0.00 178.31 179.10 3kdk h ARG 476 N 0.59 0.67 0.20 1.51 9.65 -0.82 -0.23 114.38 125.96 3kdk h ARG 476 Ca 0.06 -0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 58.89 3kdk h ARG 476 Cb 0.90 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 29.34 3kdk h ARG 476 CO 0.08 0.44 -0.10 1.49 2.80 0.00 0.00 179.97 184.69 3kdk h GLU 477 N 0.69 -0.26 -0.66 0.20 4.81 -1.46 -3.17 114.58 114.73 3kdk h GLU 477 Ca 0.39 0.02 0.11 0.00 -0.13 0.00 0.00 59.36 59.75 3kdk h GLU 477 Cb 0.41 0.06 -0.08 0.00 0.63 0.00 0.00 28.75 29.77 3kdk h GLU 477 CO -0.27 -0.00 0.25 0.87 -0.73 0.00 0.00 179.01 179.12 3kdk h LYS 478 N -0.50 0.41 0.00 1.92 1.79 -0.76 0.51 116.57 119.95 3kdk h LYS 478 Ca -0.03 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 3kdk h LYS 478 Cb 0.38 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.93 3kdk h LYS 478 CO 0.05 0.27 0.00 1.33 -1.08 0.00 0.00 179.45 180.02 3kdk n VAL 479 N -5.00 0.91 1.13 0.50 0.24 -0.15 -2.22 118.33 113.74 3kdk n VAL 479 Ca 0.10 0.34 0.14 0.00 -2.04 0.00 0.00 64.34 62.88 3kdk n VAL 479 Cb 0.32 -1.28 0.56 0.00 -1.47 0.00 0.00 33.84 31.97 3kdk n VAL 479 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kdk n GLY 480 N -0.31 -1.32 3.74 7.63 0.00 0.17 -4.71 105.19 110.38 3kdk n GLY 480 Ca 0.01 -0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 3kdk n GLY 480 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kdk s GLU 481 N -2.85 4.66 0.07 1.61 2.02 -0.94 -4.97 118.70 118.30 3kdk s GLU 481 Ca 0.18 1.65 -0.15 0.00 0.02 0.00 0.00 54.97 56.67 3kdk s GLU 481 Cb 0.19 -3.28 -0.19 0.00 0.10 0.00 0.00 34.13 30.95 3kdk s GLU 481 CO 0.55 0.19 1.23 0.28 0.02 0.00 0.00 175.26 177.53 3kdk h VAL 482 N 3.57 1.32 -3.04 2.63 2.07 -1.90 -3.40 116.25 117.50 3kdk h VAL 482 Ca -0.45 -2.03 -0.60 0.00 0.82 0.00 0.00 66.70 64.45 3kdk h VAL 482 Cb 1.21 2.22 -0.40 0.00 -1.52 0.00 0.00 31.29 32.80 3kdk h VAL 482 CO 0.71 0.62 -0.76 -1.83 0.02 0.00 0.00 177.57 176.34 3kdk s GLU 483 N -3.54 0.95 0.46 1.57 -1.05 -1.26 -5.06 118.70 110.76 3kdk s GLU 483 Ca -0.11 -1.49 -0.17 0.00 -0.15 0.00 0.00 54.97 53.04 3kdk s GLU 483 Cb 0.07 -2.09 -0.09 0.00 -0.44 0.00 0.00 34.13 31.58 3kdk s GLU 483 CO 0.88 -1.08 0.93 -1.25 0.95 0.00 0.00 175.26 175.69 3kdk s PRO 484 N 1.04 4.02 0.18 -4.83 0.04 -1.26 -5.00 135.00 129.18 3kdk s PRO 484 Ca 0.14 0.92 -0.33 0.00 0.04 0.00 0.00 61.00 61.77 3kdk s PRO 484 Cb -0.21 -2.21 -0.14 0.00 0.04 0.00 0.00 34.50 31.99 3kdk s PRO 484 CO -0.12 -0.13 1.53 -1.91 0.04 0.00 0.00 177.00 176.41 3kdk n GLU 485 N -1.13 2.08 -4.15 4.56 2.13 -1.26 -4.93 120.64 117.92 3kdk n GLU 485 Ca 0.06 0.75 -0.28 0.00 0.66 0.00 0.00 57.16 58.35 3kdk n GLU 485 Cb 0.54 -2.48 -0.07 0.00 0.27 0.00 0.00 31.44 29.69 3kdk n GLU 485 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3kdk s VAL 486 N 0.66 3.96 -0.05 6.31 1.01 -1.26 -1.13 120.40 129.89 3kdk s VAL 486 Ca 0.77 -1.20 0.02 0.00 0.00 0.00 0.00 61.98 61.57 3kdk s VAL 486 Cb -0.68 -2.96 0.01 0.00 0.00 0.00 0.00 36.38 32.75 3kdk s VAL 486 CO 0.41 -0.02 -0.10 -1.58 0.00 0.00 0.00 175.10 173.81 3kdk s GLN 487 N -2.72 1.39 0.01 2.72 0.74 0.23 -4.64 119.66 117.39 3kdk s GLN 487 Ca 0.27 -0.33 -0.30 0.00 0.05 0.00 0.00 55.36 55.05 3kdk s GLN 487 Cb -0.10 -1.20 -0.04 0.00 1.10 0.00 0.00 33.01 32.76 3kdk s GLN 487 CO 0.19 0.03 1.16 -2.00 -0.55 0.00 0.00 175.29 174.11 3kdk s GLU 488 N 0.62 4.43 1.20 1.67 2.12 -1.26 -0.92 118.70 126.56 3kdk s GLU 488 Ca -0.12 1.67 -0.13 0.00 0.36 0.00 0.00 54.97 56.75 3kdk s GLU 488 Cb -0.14 -3.43 0.30 0.00 0.26 0.00 0.00 34.13 31.12 3kdk s GLU 488 CO 0.02 -0.28 1.01 -1.64 -0.54 0.00 0.00 175.26 173.84 3kdk s MET 489 N 1.40 -1.21 -0.23 4.30 -1.94 -1.00 -4.96 119.30 115.66 3kdk s MET 489 Ca 0.56 0.85 -0.05 0.00 -1.71 0.00 0.00 55.69 55.34 3kdk s MET 489 Cb -0.26 -1.52 -0.13 0.00 2.01 0.00 0.00 34.83 34.93 3kdk s MET 489 CO 0.27 -3.92 -0.25 -0.89 -0.01 0.00 0.00 175.02 170.21 3kdk n ILE 490 N -5.06 1.30 -3.53 2.53 2.08 -1.26 -4.77 119.36 110.65 3kdk n ILE 490 Ca 0.02 -0.42 -0.41 0.00 0.56 0.00 0.00 62.75 62.50 3kdk n ILE 490 Cb 0.54 -1.55 -0.07 0.00 -0.75 0.00 0.00 39.64 37.81 3kdk n ILE 490 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 3kdk s VAL 491 N -2.44 4.52 0.85 1.39 1.01 -1.26 -5.08 120.40 119.39 3kdk s VAL 491 Ca -0.32 -2.43 -0.13 0.00 0.00 0.00 0.00 61.98 59.11 3kdk s VAL 491 Cb 0.10 -3.89 0.08 0.00 0.00 0.00 0.00 36.38 32.67 3kdk s VAL 491 CO 0.47 -0.90 1.00 -2.65 0.00 0.00 0.00 175.10 173.02 3kdk n PRO 492 N 4.10 -0.06 -4.31 2.72 -0.02 -1.26 -5.03 135.00 131.14 3kdk n PRO 492 Ca 0.05 0.05 -0.25 0.00 -2.02 0.00 0.00 63.50 61.33 3kdk n PRO 492 Cb 0.42 -2.27 -0.08 0.00 -0.02 0.00 0.00 33.50 31.54 3kdk n PRO 492 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3kdk s LEU 493 N -4.66 3.04 0.02 2.45 1.43 -1.00 -4.95 118.68 115.00 3kdk s LEU 493 Ca 0.68 -0.65 0.03 0.00 -1.03 0.00 0.00 54.13 53.17 3kdk s LEU 493 Cb -0.27 -1.64 -0.02 0.00 0.03 0.00 0.00 46.19 44.30 3kdk s LEU 493 CO 0.56 0.05 -0.10 0.42 0.23 0.00 0.00 176.35 177.52 3kdk s THR 494 N -2.05 0.75 0.09 5.49 -4.23 -1.26 -1.18 115.64 113.24 3kdk s THR 494 Ca 0.28 -0.76 0.02 0.00 -1.18 0.00 0.00 61.69 60.05 3kdk s THR 494 Cb -0.07 -0.70 -0.04 0.00 1.34 0.00 0.00 72.50 73.03 3kdk s THR 494 CO 0.17 -0.04 -0.07 -0.36 -0.54 0.00 0.00 174.62 173.78 3kdk s PHE 495 N -0.74 0.86 -0.05 3.99 0.08 -0.45 -4.98 117.98 116.69 3kdk s PHE 495 Ca -0.01 -0.86 -0.05 0.00 0.12 0.00 0.00 56.93 56.13 3kdk s PHE 495 Cb -0.06 -0.50 0.02 0.00 -0.57 0.00 0.00 43.02 41.90 3kdk s PHE 495 CO 0.00 -0.14 0.14 -1.01 -0.10 0.00 0.00 175.22 174.11 3kdk s HIS 496 N -3.33 -0.15 0.09 0.36 3.76 -1.26 -1.38 115.29 113.37 3kdk s HIS 496 Ca 0.09 0.38 0.02 0.00 -0.15 0.00 0.00 55.06 55.40 3kdk s HIS 496 Cb 0.03 0.04 -0.04 0.00 1.11 0.00 0.00 32.58 33.73 3kdk s HIS 496 CO -0.04 -0.08 -0.06 0.71 -0.85 0.00 0.00 174.74 174.41 3kdk s TYR 497 N 0.16 0.83 0.87 1.40 2.02 -0.20 -5.01 117.35 117.41 3kdk s TYR 497 Ca -0.01 -0.87 -0.10 0.00 -0.37 0.00 0.00 57.07 55.72 3kdk s TYR 497 Cb -0.02 -0.49 0.12 0.00 -0.40 0.00 0.00 41.96 41.17 3kdk s TYR 497 CO -0.00 -0.16 1.12 -1.54 -1.57 0.00 0.00 175.55 173.40 3kdk s SER 498 N -2.83 3.46 0.40 2.29 1.04 -1.26 -4.75 113.70 112.05 3kdk s SER 498 Ca 0.08 2.01 0.17 0.00 0.48 0.00 0.00 55.95 58.70 3kdk s SER 498 Cb 0.03 -2.53 1.07 0.00 0.10 0.00 0.00 66.02 64.70 3kdk s SER 498 CO -0.04 -2.73 1.81 0.74 0.98 0.00 0.00 173.24 173.99 3kdk h THR 499 N -1.61 0.61 -0.02 2.02 2.02 -2.00 -1.78 112.91 112.15 3kdk h THR 499 Ca -0.44 -0.15 -0.02 0.00 0.77 0.00 0.00 66.41 66.58 3kdk h THR 499 Cb 1.26 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.81 3kdk h THR 499 CO 0.46 0.08 -0.05 0.78 0.37 0.00 0.00 175.52 177.16 3kdk h ASN 500 N 0.43 0.07 -0.98 4.18 2.35 -2.00 -2.74 115.58 116.89 3kdk h ASN 500 Ca 0.54 -0.61 0.11 0.00 -0.55 0.00 0.00 56.30 55.79 3kdk h ASN 500 Cb 1.32 -0.02 -0.08 0.00 0.05 0.00 0.00 38.32 39.59 3kdk h ASN 500 CO -0.24 0.67 0.62 -0.33 -1.65 0.00 0.00 177.43 176.50 3kdk h GLU 501 N -0.52 0.95 -0.41 0.81 5.08 -1.75 -0.50 114.58 118.23 3kdk h GLU 501 Ca -0.00 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.23 3kdk h GLU 501 Cb 0.66 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 3kdk h GLU 501 CO 0.01 0.63 -0.04 0.00 -1.00 0.00 0.00 179.01 178.61 3kdk h ALA 502 N 1.54 1.16 -0.00 3.43 0.00 -1.38 -1.42 119.26 122.59 3kdk h ALA 502 Ca 0.47 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 55.14 3kdk h ALA 502 Cb 0.45 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 3kdk h ALA 502 CO -0.23 0.54 -0.12 -0.07 0.00 0.00 0.00 179.25 179.37 3kdk h LEU 503 N 0.64 -0.35 -1.32 0.00 3.38 -0.79 -0.54 115.31 116.33 3kdk h LEU 503 Ca 0.12 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.17 3kdk h LEU 503 Cb 0.45 0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.32 3kdk h LEU 503 CO 0.02 -0.17 0.47 0.40 0.09 0.00 0.00 178.44 179.25 3kdk h ILE 504 N -0.21 1.14 -0.34 1.22 2.04 -1.09 -1.57 117.51 118.71 3kdk h ILE 504 Ca 0.04 -0.31 -0.15 0.00 1.00 0.00 0.00 64.86 65.45 3kdk h ILE 504 Cb 0.26 0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 36.49 3kdk h ILE 504 CO -0.12 0.17 -0.36 0.40 0.00 0.00 0.00 178.15 178.24 3kdk h ILE 505 N 0.91 1.28 -0.16 -0.67 2.04 -0.83 -2.52 117.51 117.57 3kdk h ILE 505 Ca 0.27 -1.53 -0.09 0.00 1.00 0.00 0.00 64.86 64.52 3kdk h ILE 505 Cb -0.02 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 3kdk h ILE 505 CO -0.07 0.50 -0.28 -0.33 0.00 0.00 0.00 178.15 177.97 3kdk h GLU 506 N 0.63 0.31 -0.66 2.37 4.39 -0.77 -2.39 114.58 118.46 3kdk h GLU 506 Ca 0.05 -0.12 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 3kdk h GLU 506 Cb 0.94 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.54 3kdk h GLU 506 CO 0.09 0.58 0.35 0.37 -1.16 0.00 0.00 179.01 179.23 3kdk h GLN 507 N 0.28 0.92 -0.69 2.33 4.15 -1.13 -3.20 115.11 117.77 3kdk h GLN 507 Ca 0.04 -0.10 -0.39 0.00 0.77 0.00 0.00 58.65 58.97 3kdk h GLN 507 Cb 0.65 -0.18 -0.23 0.00 0.21 0.00 0.00 27.48 27.93 3kdk h GLN 507 CO 0.05 0.68 0.24 0.72 -1.93 0.00 0.00 178.83 178.60 3kdk n HIS 508 N -4.37 2.18 0.05 3.99 8.25 -0.92 -4.70 115.22 119.70 3kdk n HIS 508 Ca 0.06 -1.92 -0.11 0.00 -0.26 0.00 0.00 57.72 55.49 3kdk n HIS 508 Cb 0.11 -0.77 -0.05 0.00 1.12 0.00 0.00 29.99 30.40 3kdk n HIS 508 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 3kdk h LYS 509 N 1.21 -0.41 -0.56 -0.41 1.79 -1.51 -0.49 116.57 116.18 3kdk h LYS 509 Ca 0.43 0.03 -0.05 0.00 -2.18 0.00 0.00 60.65 58.88 3kdk h LYS 509 Cb 1.98 0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 32.70 3kdk h LYS 509 CO 0.82 -0.28 0.18 1.96 -1.08 0.00 0.00 179.45 181.05 3kdk h GLN 510 N -0.43 0.88 -0.50 3.15 1.08 -1.89 -1.63 115.11 115.76 3kdk h GLN 510 Ca 0.07 -0.19 -0.01 0.00 -1.45 0.00 0.00 58.65 57.07 3kdk h GLN 510 Cb 0.53 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.81 3kdk h GLN 510 CO -0.27 0.80 0.28 0.93 -0.95 0.00 0.00 178.83 179.62 3kdk h GLU 511 N 0.79 0.70 -0.22 1.46 3.07 -1.88 -1.03 114.58 117.47 3kdk h GLU 511 Ca 0.18 -0.08 -0.03 0.00 -0.50 0.00 0.00 59.36 58.93 3kdk h GLU 511 Cb 0.28 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.05 3kdk h GLU 511 CO -0.01 0.54 0.02 -0.07 -1.40 0.00 0.00 179.01 178.10 3kdk h LEU 512 N 0.67 0.37 -1.48 1.33 3.38 -0.91 -2.80 115.31 115.86 3kdk h LEU 512 Ca 0.18 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 3kdk h LEU 512 Cb 0.05 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3kdk h LEU 512 CO -0.03 0.56 0.24 -0.33 0.09 0.00 0.00 178.44 178.97 3kdk h GLU 513 N 0.16 0.59 0.00 1.13 5.08 -1.19 -1.17 114.58 119.17 3kdk h GLU 513 Ca 0.06 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3kdk h GLU 513 Cb 0.36 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3kdk h GLU 513 CO 0.01 0.43 0.00 0.66 -1.00 0.00 0.00 179.01 179.11 3kdk h SER 514 N 0.60 0.00 -0.40 1.42 4.64 -0.92 -2.02 113.55 116.86 3kdk h SER 514 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 3kdk h SER 514 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3kdk h SER 514 CO -0.03 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.26 3kdk n VAL 515 N -2.72 0.70 -0.02 0.95 0.24 -0.87 -4.78 118.33 111.83 3kdk n VAL 515 Ca 0.01 -0.85 0.00 0.00 -2.04 0.00 0.00 64.34 61.46 3kdk n VAL 515 Cb 0.24 0.76 0.00 0.00 -1.47 0.00 0.00 33.84 33.37 3kdk n VAL 515 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kdk n GLY 516 N 1.11 0.67 3.43 7.63 0.00 -0.76 -5.01 105.19 112.26 3kdk n GLY 516 Ca 0.16 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.75 3kdk n GLY 516 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kdk s VAL 517 N -2.03 4.75 -0.73 1.61 1.01 -0.50 -4.38 120.40 120.13 3kdk s VAL 517 Ca 0.00 -0.61 -0.13 0.00 0.00 0.00 0.00 61.98 61.24 3kdk s VAL 517 Cb 0.00 -4.44 0.19 0.00 0.00 0.00 0.00 36.38 32.13 3kdk s VAL 517 CO 0.00 -1.03 0.66 -0.36 0.00 0.00 0.00 175.10 174.37 3kdk s PHE 518 N 2.93 3.61 -0.07 5.22 0.08 -1.26 -2.97 117.98 125.52 3kdk s PHE 518 Ca 0.16 -1.93 -0.17 0.00 0.12 0.00 0.00 56.93 55.11 3kdk s PHE 518 Cb -0.20 -3.73 -0.05 0.00 -0.57 0.00 0.00 43.02 38.47 3kdk s PHE 518 CO 0.10 -0.98 0.44 -0.51 -0.10 0.00 0.00 175.22 174.17 3kdk s LEU 519 N 0.47 4.35 -0.16 -0.37 1.43 -1.26 -4.30 118.68 118.85 3kdk s LEU 519 Ca 0.14 0.86 0.01 0.00 -1.03 0.00 0.00 54.13 54.12 3kdk s LEU 519 Cb -0.16 -2.64 0.02 0.00 0.03 0.00 0.00 46.19 43.44 3kdk s LEU 519 CO -0.06 0.13 -0.19 -1.61 0.23 0.00 0.00 176.35 174.86 3kdk s GLU 520 N -0.04 2.80 -0.07 1.70 2.02 -0.59 -4.98 118.70 119.53 3kdk s GLU 520 Ca 0.25 -0.76 -0.26 0.00 0.02 0.00 0.00 54.97 54.22 3kdk s GLU 520 Cb -0.16 -2.40 -0.03 0.00 0.10 0.00 0.00 34.13 31.64 3kdk s GLU 520 CO 0.11 -0.17 0.81 -1.54 0.02 0.00 0.00 175.26 174.49 3kdk s SER 521 N 1.22 7.08 0.00 -0.19 1.04 -1.26 0.01 113.70 121.61 3kdk s SER 521 Ca 0.02 1.31 0.00 0.00 0.48 0.00 0.00 55.95 57.76 3kdk s SER 521 Cb -0.14 -2.46 0.00 0.00 0.10 0.00 0.00 66.02 63.52 3kdk s SER 521 CO -0.10 -0.22 0.00 0.33 0.98 0.00 0.00 173.24 174.23 3kdk n PHE 522 N 4.16 0.00 -0.30 5.02 7.35 -1.00 -4.96 117.46 127.73 3kdk n PHE 522 Ca 0.02 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.71 3kdk n PHE 522 Cb 0.51 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.34 3kdk n PHE 522 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3kdk n GLY 523 N 2.04 1.37 3.68 7.13 0.00 -1.26 -5.00 105.19 113.16 3kdk n GLY 523 Ca 0.00 -1.63 -0.42 0.00 0.00 0.00 0.00 46.02 43.97 3kdk n GLY 523 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kdk s SER 524 N -1.00 7.18 -1.11 1.61 0.15 -1.26 -4.02 113.70 115.25 3kdk s SER 524 Ca 0.00 1.45 0.00 0.00 0.70 0.00 0.00 55.95 58.10 3kdk s SER 524 Cb 0.00 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 3kdk s SER 524 CO 0.00 -0.44 0.00 0.59 1.20 0.00 0.00 173.24 174.59 3kdk n ASN 525 N 5.10 -3.18 -4.42 5.45 3.02 -1.26 -4.86 115.26 115.11 3kdk n ASN 525 Ca 0.08 0.26 -0.31 0.00 -0.03 0.00 0.00 54.58 54.58 3kdk n ASN 525 Cb 0.49 -2.89 -0.13 0.00 -0.61 0.00 0.00 39.78 36.63 3kdk n ASN 525 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3kdk s SER 526 N -1.90 3.62 0.05 6.41 1.04 -1.26 -1.04 113.70 120.62 3kdk s SER 526 Ca 0.00 -0.47 0.03 0.00 0.48 0.00 0.00 55.95 55.99 3kdk s SER 526 Cb 0.00 -0.52 -0.03 0.00 0.10 0.00 0.00 66.02 65.57 3kdk s SER 526 CO 0.00 0.26 -0.10 -0.31 0.98 0.00 0.00 173.24 174.07 3kdk s TYR 527 N -0.89 0.85 0.07 5.02 1.51 -0.48 -2.38 117.35 121.05 3kdk s TYR 527 Ca 0.14 -0.48 0.06 0.00 -1.01 0.00 0.00 57.07 55.78 3kdk s TYR 527 Cb -0.10 -0.50 -0.04 0.00 -0.11 0.00 0.00 41.96 41.21 3kdk s TYR 527 CO 0.04 -0.03 -0.09 0.96 -1.11 0.00 0.00 175.55 175.32 3kdk s ILE 528 N -1.31 3.45 -0.25 2.71 -4.36 0.10 -1.34 121.20 120.21 3kdk s ILE 528 Ca -0.07 -1.11 -0.02 0.00 -0.26 0.00 0.00 60.65 59.20 3kdk s ILE 528 Cb -0.10 -2.58 0.02 0.00 1.25 0.00 0.00 42.46 41.06 3kdk s ILE 528 CO 0.01 0.21 -0.06 -0.69 0.24 0.00 0.00 174.94 174.65 3kdk s VAL 529 N -1.14 2.93 -0.75 8.37 1.01 -0.33 -1.54 120.40 128.95 3kdk s VAL 529 Ca 0.20 -0.97 0.19 0.00 0.00 0.00 0.00 61.98 61.40 3kdk s VAL 529 Cb -0.11 -2.47 -0.22 0.00 0.00 0.00 0.00 36.38 33.58 3kdk s VAL 529 CO 0.12 0.22 0.74 -1.14 0.00 0.00 0.00 175.10 175.03 3kdk n ARG 530 N 4.68 0.78 -3.76 2.72 0.63 -1.26 -2.39 116.66 118.07 3kdk n ARG 530 Ca -0.17 -0.03 -0.02 0.00 -0.92 0.00 0.00 57.85 56.72 3kdk n ARG 530 Cb 0.47 -1.39 -0.00 0.00 0.45 0.00 0.00 32.46 31.99 3kdk n ARG 530 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3kdk s HIS 532 N -2.84 -0.25 0.38 0.00 -3.43 -0.09 -4.50 115.29 104.56 3kdk s HIS 532 Ca 0.15 -0.08 -0.27 0.00 -0.80 0.00 0.00 55.06 54.06 3kdk s HIS 532 Cb -0.00 0.64 -0.11 0.00 -1.43 0.00 0.00 32.58 31.68 3kdk s HIS 532 CO 0.02 -0.95 1.37 -2.30 -2.00 0.00 0.00 174.74 170.87 3kdk n PRO 533 N -0.42 2.29 0.22 -0.38 -0.02 -1.26 0.77 135.00 136.20 3kdk n PRO 533 Ca -0.07 0.81 0.16 0.00 -2.02 0.00 0.00 63.50 62.37 3kdk n PRO 533 Cb 0.61 -2.49 0.81 0.00 -0.02 0.00 0.00 33.50 32.41 3kdk n PRO 533 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kdk h ALA 534 N 2.56 1.83 -0.01 3.55 0.00 -1.39 -2.54 119.26 123.25 3kdk h ALA 534 Ca -0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3kdk h ALA 534 Cb 1.27 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3kdk h ALA 534 CO 0.62 -0.21 -0.04 -2.67 0.00 0.00 0.00 179.25 176.95 3kdk n TRP 535 N -3.97 0.00 -1.61 0.00 4.27 -1.26 -4.89 117.44 109.98 3kdk n TRP 535 Ca 0.01 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.21 3kdk n TRP 535 Cb 0.26 -0.03 0.02 0.00 -1.36 0.00 0.00 31.31 30.19 3kdk n TRP 535 CO 0.00 0.00 0.00 1.19 -2.29 0.00 0.00 177.69 176.59 3kdk n PHE 536 N -0.17 1.08 -1.76 -2.67 3.01 -0.96 -4.84 117.46 111.15 3kdk n PHE 536 Ca 0.18 0.53 -0.43 0.00 1.01 0.00 0.00 57.45 58.75 3kdk n PHE 536 Cb 0.31 -2.21 -0.03 0.00 -0.01 0.00 0.00 39.48 37.55 3kdk n PHE 536 CO 0.00 0.00 0.00 -2.14 1.01 0.00 0.00 176.76 175.63 3kdk s PRO 537 N -2.12 3.60 0.27 -1.08 0.02 -1.26 -4.89 135.00 129.54 3kdk s PRO 537 Ca 0.65 2.10 -0.31 0.00 0.02 0.00 0.00 61.00 63.46 3kdk s PRO 537 Cb -0.53 -4.23 -0.13 0.00 0.02 0.00 0.00 34.50 29.63 3kdk s PRO 537 CO 0.55 -1.56 1.43 1.17 -0.33 0.00 0.00 177.00 178.27 3kdk n LYS 538 N 8.12 2.19 0.00 5.54 4.81 -1.26 -2.14 118.16 135.43 3kdk n LYS 538 Ca 0.24 0.78 0.00 0.00 -0.87 0.00 0.00 58.31 58.46 3kdk n LYS 538 Cb 0.44 -2.45 0.00 0.00 0.02 0.00 0.00 35.03 33.04 3kdk n LYS 538 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3kdk n GLY 539 N 1.97 2.23 0.11 3.14 0.00 -1.26 -4.81 105.19 106.56 3kdk n GLY 539 Ca 0.10 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.18 3kdk n GLY 539 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3kdk n GLU 540 N -2.00 1.40 -0.16 1.61 0.28 -0.91 -4.75 120.64 116.11 3kdk n GLU 540 Ca 0.00 -2.05 -0.02 0.00 -0.16 0.00 0.00 57.16 54.93 3kdk n GLU 540 Cb 0.00 -1.22 0.07 0.00 1.43 0.00 0.00 31.44 31.72 3kdk n GLU 540 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 3kdk h GLU 541 N 0.00 0.27 -0.22 3.44 3.07 -1.87 -0.93 114.58 118.34 3kdk h GLU 541 Ca 0.00 -0.02 0.04 0.00 -0.50 0.00 0.00 59.36 58.88 3kdk h GLU 541 Cb 0.95 -0.06 -0.04 0.00 -0.84 0.00 0.00 28.75 28.76 3kdk h GLU 541 CO 0.00 0.18 -0.03 0.00 -1.40 0.00 0.00 179.01 177.76 3kdk h ALA 542 N 1.38 0.17 0.00 3.43 0.00 -1.94 0.93 119.26 123.23 3kdk h ALA 542 Ca 0.25 0.07 -0.12 0.00 0.00 0.00 0.00 54.91 55.12 3kdk h ALA 542 Cb 0.32 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3kdk h ALA 542 CO -0.30 -0.45 -0.56 1.49 0.00 0.00 0.00 179.25 179.43 3kdk h GLU 543 N 0.04 0.00 0.18 0.00 4.81 -1.88 -2.54 114.58 115.18 3kdk h GLU 543 Ca 0.11 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 3kdk h GLU 543 Cb 0.15 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.53 3kdk h GLU 543 CO -0.20 0.56 -0.08 1.25 -0.73 0.00 0.00 179.01 179.80 3kdk h LEU 544 N 0.00 -0.20 -0.55 1.64 5.85 -0.71 -0.99 115.31 120.36 3kdk h LEU 544 Ca -0.01 -0.33 0.11 0.00 0.84 0.00 0.00 57.88 58.49 3kdk h LEU 544 Cb 1.19 0.05 -0.10 0.00 0.37 0.00 0.00 40.66 42.18 3kdk h LEU 544 CO 0.07 0.31 -0.05 0.40 -0.34 0.00 0.00 178.44 178.83 3kdk h ILE 545 N -0.80 0.52 -0.26 4.05 2.04 -0.87 0.15 117.51 122.35 3kdk h ILE 545 Ca -0.02 -0.02 -0.12 0.00 1.00 0.00 0.00 64.86 65.69 3kdk h ILE 545 Cb 0.52 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 3kdk h ILE 545 CO 0.04 0.01 -0.34 -0.08 0.00 0.00 0.00 178.15 177.78 3kdk h GLU 546 N 0.07 0.56 -0.37 2.37 4.81 -1.49 -0.54 114.58 119.99 3kdk h GLU 546 Ca 0.28 -0.25 -0.04 0.00 -0.13 0.00 0.00 59.36 59.21 3kdk h GLU 546 Cb 0.43 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 3kdk h GLU 546 CO -0.50 0.82 0.09 1.49 -0.73 0.00 0.00 179.01 180.19 3kdk h GLU 547 N 0.47 0.60 -0.05 1.92 4.81 -0.44 -0.45 114.58 121.43 3kdk h GLU 547 Ca 0.05 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 59.14 3kdk h GLU 547 Cb 0.82 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.12 3kdk h GLU 547 CO 0.07 0.63 0.03 0.82 -0.73 0.00 0.00 179.01 179.83 3kdk h ILE 548 N 0.46 1.07 -0.72 2.32 2.04 -0.51 -1.61 117.51 120.56 3kdk h ILE 548 Ca 0.12 -0.19 0.06 0.00 1.00 0.00 0.00 64.86 65.86 3kdk h ILE 548 Cb 0.30 1.09 -0.04 0.00 -0.74 0.00 0.00 36.82 37.43 3kdk h ILE 548 CO 0.00 0.06 0.47 0.40 0.00 0.00 0.00 178.15 179.08 3kdk h ILE 549 N 0.01 1.02 -0.13 -0.67 2.04 -1.03 -1.21 117.51 117.55 3kdk h ILE 549 Ca 0.02 -0.26 -0.12 0.00 1.00 0.00 0.00 64.86 65.50 3kdk h ILE 549 Cb 0.06 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.34 3kdk h ILE 549 CO -0.00 0.14 -0.46 -0.61 0.00 0.00 0.00 178.15 177.21 3kdk h GLN 550 N 0.75 0.32 -0.49 2.37 5.75 -0.75 -2.35 115.11 120.71 3kdk h GLN 550 Ca 0.31 -0.17 0.01 0.00 -0.15 0.00 0.00 58.65 58.64 3kdk h GLN 550 Cb 0.25 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.78 3kdk h GLN 550 CO -0.10 0.72 0.33 0.37 -2.65 0.00 0.00 178.83 177.49 3kdk h GLN 551 N 0.26 0.65 -0.71 1.69 5.75 -0.24 -1.92 115.11 120.58 3kdk h GLN 551 Ca 0.02 -0.04 -0.04 0.00 -0.15 0.00 0.00 58.65 58.44 3kdk h GLN 551 Cb 0.91 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 29.29 3kdk h GLN 551 CO 0.08 0.43 0.30 0.28 -2.65 0.00 0.00 178.83 177.26 3kdk h VAL 552 N 0.67 1.25 0.00 2.39 2.07 -1.23 -1.02 116.25 120.38 3kdk h VAL 552 Ca 0.18 -0.75 -0.04 0.00 0.82 0.00 0.00 66.70 66.91 3kdk h VAL 552 Cb -0.07 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 3kdk h VAL 552 CO -0.04 0.30 -0.17 -0.07 0.02 0.00 0.00 177.57 177.61 3kdk h LEU 553 N 1.02 0.00 0.17 2.57 3.38 -1.11 -0.33 115.31 121.00 3kdk h LEU 553 Ca 0.24 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.93 3kdk h LEU 553 Cb 0.19 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.96 3kdk h LEU 553 CO -0.02 0.17 -1.30 0.44 0.09 0.00 0.00 178.44 177.82 3kdk h ASP 554 N 0.00 0.56 0.84 -0.43 3.32 -0.92 -3.29 116.42 116.50 3kdk h ASP 554 Ca -0.00 -0.91 -0.05 0.00 0.02 0.00 0.00 57.03 56.08 3kdk h ASP 554 Cb 0.31 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 3kdk h ASP 554 CO 0.02 1.60 -0.25 0.28 -1.72 0.00 0.00 179.24 179.17 3kdk h SER 555 N -0.15 0.00 0.00 6.45 0.02 -1.14 -3.46 113.55 115.27 3kdk h SER 555 Ca -0.25 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 3kdk h SER 555 Cb 1.88 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.42 3kdk h SER 555 CO 0.16 0.25 0.00 0.29 -1.14 0.00 0.00 176.83 176.39 3kdk n LYS 556 N -3.46 0.00 -3.73 3.45 5.02 -0.14 -4.56 118.16 114.74 3kdk n LYS 556 Ca -0.00 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.01 3kdk n LYS 556 Cb 0.43 -0.09 -0.16 0.00 -0.02 0.00 0.00 35.03 35.19 3kdk n LYS 556 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3kdk s ASN 557 N 0.00 2.93 0.01 4.39 3.04 -1.26 -4.96 114.94 119.09 3kdk s ASN 557 Ca 0.00 -0.84 0.01 0.00 0.04 0.00 0.00 52.86 52.07 3kdk s ASN 557 Cb 0.00 -0.60 -0.01 0.00 -1.54 0.00 0.00 41.25 39.10 3kdk s ASN 557 CO 0.00 -0.31 -0.04 -0.51 -3.04 0.00 0.00 177.10 173.21 3kdk s ILE 558 N 1.85 0.25 0.59 -5.21 2.07 -1.26 -5.17 121.20 114.33 3kdk s ILE 558 Ca -0.01 -0.34 0.04 0.00 -1.41 0.00 0.00 60.65 58.93 3kdk s ILE 558 Cb -0.17 -0.26 0.07 0.00 0.13 0.00 0.00 42.46 42.23 3kdk s ILE 558 CO -0.08 -0.06 0.81 1.51 -1.91 0.00 0.00 174.94 175.21 3kdk s ASP 559 N -0.43 5.00 0.08 4.50 -4.77 -1.26 -4.96 116.67 114.84 3kdk s ASP 559 Ca -0.02 -0.39 -0.20 0.00 -3.30 0.00 0.00 52.55 48.64 3kdk s ASP 559 Cb -0.03 -0.29 -0.09 0.00 -1.09 0.00 0.00 42.92 41.42 3kdk s ASP 559 CO -0.00 -1.36 1.55 0.40 0.70 0.00 0.00 175.17 176.47 3kdk h ILE 560 N 0.00 1.22 -0.42 2.11 2.04 -1.98 -2.08 117.51 118.40 3kdk h ILE 560 Ca -0.37 -0.74 0.05 0.00 1.00 0.00 0.00 64.86 64.80 3kdk h ILE 560 Cb 1.28 1.31 -0.05 0.00 -0.74 0.00 0.00 36.82 38.62 3kdk h ILE 560 CO 0.44 0.23 0.14 0.50 0.00 0.00 0.00 178.15 179.46 3kdk h LYS 561 N 0.15 0.29 -0.59 2.37 3.64 -1.99 0.13 116.57 120.57 3kdk h LYS 561 Ca 0.06 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.33 3kdk h LYS 561 Cb 0.31 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 3kdk h LYS 561 CO 0.00 0.19 -0.02 -0.22 -2.27 0.00 0.00 179.45 177.14 3kdk h LYS 562 N 0.30 1.05 -0.54 1.90 3.64 -1.96 -2.43 116.57 118.53 3kdk h LYS 562 Ca 0.20 -0.34 -0.06 0.00 -1.27 0.00 0.00 60.65 59.17 3kdk h LYS 562 Cb 0.19 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 3kdk h LYS 562 CO -0.21 1.04 0.09 1.25 -2.27 0.00 0.00 179.45 179.35 3kdk h LEU 563 N 0.95 0.86 -0.64 5.20 5.85 -0.85 -1.82 115.31 124.86 3kdk h LEU 563 Ca 0.16 -0.26 0.06 0.00 0.84 0.00 0.00 57.88 58.69 3kdk h LEU 563 Cb 0.58 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.33 3kdk h LEU 563 CO 0.03 0.90 0.34 0.03 -0.34 0.00 0.00 178.44 179.40 3kdk h ARG 564 N 0.78 0.61 0.16 1.25 3.08 -0.62 0.27 114.38 119.92 3kdk h ARG 564 Ca 0.16 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.19 3kdk h ARG 564 Cb 0.40 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 3kdk h ARG 564 CO 0.01 0.40 -0.22 1.49 -1.07 0.00 0.00 179.97 180.58 3kdk h GLU 565 N 0.63 -0.42 -0.56 0.04 4.57 -1.26 -1.56 114.58 116.02 3kdk h GLU 565 Ca 0.29 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.50 3kdk h GLU 565 Cb 0.20 0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.85 3kdk h GLU 565 CO -0.19 -0.28 0.37 0.93 -1.18 0.00 0.00 179.01 178.66 3kdk h GLU 566 N -0.44 0.74 -0.75 1.92 3.07 -0.70 -0.80 114.58 117.62 3kdk h GLU 566 Ca 0.02 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.82 3kdk h GLU 566 Cb 0.44 -0.17 -0.04 0.00 -0.84 0.00 0.00 28.75 28.15 3kdk h GLU 566 CO -0.09 0.50 0.43 0.00 -1.40 0.00 0.00 179.01 178.45 3kdk h ALA 567 N 1.20 0.96 -0.12 3.43 0.00 -0.42 -1.59 119.26 122.72 3kdk h ALA 567 Ca 0.21 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 3kdk h ALA 567 Cb -0.08 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 3kdk h ALA 567 CO -0.04 0.45 -0.56 0.00 0.00 0.00 0.00 179.25 179.09 3kdk h ALA 568 N 1.23 0.81 -0.35 0.00 0.00 -0.87 -0.23 119.26 119.85 3kdk h ALA 568 Ca 0.27 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 3kdk h ALA 568 Cb -0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3kdk h ALA 568 CO -0.05 0.70 0.21 0.82 0.00 0.00 0.00 179.25 180.93 3kdk h ILE 569 N 0.28 1.12 -0.88 0.00 2.04 -0.93 -1.31 117.51 117.83 3kdk h ILE 569 Ca 0.00 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 3kdk h ILE 569 Cb 1.07 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 37.78 3kdk h ILE 569 CO 0.09 0.12 0.50 0.24 0.00 0.00 0.00 178.15 179.10 3kdk h MET 570 N 0.45 1.21 0.00 2.37 2.86 -0.94 -2.53 114.93 118.36 3kdk h MET 570 Ca 0.12 -0.13 -0.08 0.00 -2.06 0.00 0.00 59.70 57.56 3kdk h MET 570 Cb 0.00 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.41 3kdk h MET 570 CO -0.02 0.87 -0.36 0.52 1.06 0.00 0.00 176.91 178.97 3kdk h MET 571 N 1.22 0.00 0.00 1.72 2.86 -0.79 -3.12 114.93 116.81 3kdk h MET 571 Ca 0.31 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.84 3kdk h MET 571 Cb -0.01 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 3kdk h MET 571 CO -0.05 0.36 -0.54 0.66 1.06 0.00 0.00 176.91 178.40 3kdk h SER 572 N 0.00 0.00 -0.87 1.22 4.64 -0.80 -3.07 113.55 114.68 3kdk h SER 572 Ca -0.00 0.00 -0.45 0.00 -0.47 0.00 0.00 61.79 60.86 3kdk h SER 572 Cb 0.79 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 62.62 3kdk h SER 572 CO 0.05 0.54 0.50 0.00 -0.87 0.00 0.00 176.83 177.05 3kdk n LYS 574 N -1.14 3.39 -1.37 0.00 4.76 -1.16 -5.08 118.16 117.55 3kdk n LYS 574 Ca 0.55 -4.52 0.09 0.00 -2.87 0.00 0.00 58.31 51.55 3kdk n LYS 574 Cb 1.53 -2.46 -0.05 0.00 -1.84 0.00 0.00 35.03 32.21 3kdk n LYS 574 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 3kdk n ARG 581 N 1.94 -3.00 -2.38 1.97 1.85 -1.26 -5.04 116.66 110.75 3kdk n ARG 581 Ca 0.25 2.40 -0.35 0.00 -1.00 0.00 0.00 57.85 59.15 3kdk n ARG 581 Cb 0.37 -3.34 -0.02 0.00 -1.05 0.00 0.00 32.46 28.42 3kdk n ARG 581 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 3kdk s HIS 582 N -4.76 2.86 0.35 2.89 3.76 -1.26 -4.88 115.29 114.24 3kdk s HIS 582 Ca 0.00 1.56 -0.26 0.00 -0.15 0.00 0.00 55.06 56.21 3kdk s HIS 582 Cb 0.00 -3.22 -0.09 0.00 1.11 0.00 0.00 32.58 30.38 3kdk s HIS 582 CO 0.00 -1.24 1.07 -0.51 -0.85 0.00 0.00 174.74 173.21 3kdk s LEU 583 N -3.48 4.32 0.66 0.89 1.43 -1.26 -5.05 118.68 116.20 3kdk s LEU 583 Ca 0.68 2.14 -0.12 0.00 -1.03 0.00 0.00 54.13 55.81 3kdk s LEU 583 Cb -0.22 -3.94 -0.01 0.00 0.03 0.00 0.00 46.19 42.05 3kdk s LEU 583 CO 0.26 -0.34 1.05 -0.13 0.23 0.00 0.00 176.35 177.42 3kdk s ARG 584 N -2.03 3.11 0.40 1.70 0.52 -1.26 -4.84 118.95 116.56 3kdk s ARG 584 Ca 0.52 0.96 0.07 0.00 -0.52 0.00 0.00 55.73 56.76 3kdk s ARG 584 Cb -0.26 -2.01 0.83 0.00 0.52 0.00 0.00 34.95 34.03 3kdk s ARG 584 CO 0.33 -0.96 2.05 -0.91 0.02 0.00 0.00 175.30 175.83 3kdk h ASN 585 N -0.45 0.51 -0.14 0.23 2.35 -1.99 0.02 115.58 116.11 3kdk h ASN 585 Ca -0.44 -0.01 -0.10 0.00 -0.55 0.00 0.00 56.30 55.20 3kdk h ASN 585 Cb 1.21 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 39.44 3kdk h ASN 585 CO 0.58 0.36 -0.22 -2.24 -1.65 0.00 0.00 177.43 174.26 3kdk h ASP 586 N 0.60 0.57 -0.39 5.81 3.04 -2.00 -2.11 116.42 121.95 3kdk h ASP 586 Ca 0.17 -0.19 -0.15 0.00 -3.24 0.00 0.00 57.03 53.62 3kdk h ASP 586 Cb -0.05 -0.16 -0.01 0.00 -1.04 0.00 0.00 39.33 38.08 3kdk h ASP 586 CO -0.04 0.79 -0.33 -0.33 -2.04 0.00 0.00 179.24 177.29 3kdk h GLU 587 N 0.51 0.93 -0.65 4.15 5.08 -1.46 -2.02 114.58 121.12 3kdk h GLU 587 Ca 0.08 -0.45 -0.03 0.00 -1.00 0.00 0.00 59.36 57.95 3kdk h GLU 587 Cb 0.66 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.88 3kdk h GLU 587 CO 0.05 1.11 0.28 0.82 -1.00 0.00 0.00 179.01 180.27 3kdk h ILE 588 N 0.77 1.22 -0.05 3.13 2.04 -0.91 -2.16 117.51 121.54 3kdk h ILE 588 Ca 0.08 -0.65 -0.04 0.00 1.00 0.00 0.00 64.86 65.25 3kdk h ILE 588 Cb 0.91 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 3kdk h ILE 588 CO 0.08 0.27 -0.12 0.11 0.00 0.00 0.00 178.15 178.49 3kdk h LYS 589 N 0.92 0.17 -0.93 2.37 1.79 -1.23 -1.43 116.57 118.23 3kdk h LYS 589 Ca 0.22 -0.11 0.08 0.00 -2.18 0.00 0.00 60.65 58.66 3kdk h LYS 589 Cb 0.14 0.02 -0.07 0.00 -1.58 0.00 0.00 32.23 30.74 3kdk h LYS 589 CO -0.02 0.71 0.58 0.00 -1.08 0.00 0.00 179.45 179.64 3kdk h ALA 590 N 0.45 1.31 -0.29 3.86 0.00 -1.37 -0.57 119.26 122.65 3kdk h ALA 590 Ca -0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3kdk h ALA 590 Cb 0.72 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3kdk h ALA 590 CO 0.03 0.30 0.09 1.25 0.00 0.00 0.00 179.25 180.92 3kdk h LEU 591 N 1.02 0.42 -0.71 0.00 6.46 -1.26 0.17 115.31 121.41 3kdk h LEU 591 Ca 0.42 -0.20 -0.07 0.00 -0.12 0.00 0.00 57.88 57.91 3kdk h LEU 591 Cb 0.25 -0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 40.04 3kdk h LEU 591 CO -0.20 0.51 0.18 -0.07 -0.62 0.00 0.00 178.44 178.24 3kdk h LEU 592 N 0.30 1.06 -0.22 2.25 3.38 -0.91 -0.65 115.31 120.52 3kdk h LEU 592 Ca 0.09 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 3kdk h LEU 592 Cb 0.24 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3kdk h LEU 592 CO -0.00 1.01 0.03 0.44 0.09 0.00 0.00 178.44 180.01 3kdk h ASP 593 N 1.06 0.35 -0.60 -0.43 3.32 -0.91 -2.15 116.42 117.07 3kdk h ASP 593 Ca 0.22 -0.27 -0.06 0.00 0.02 0.00 0.00 57.03 56.93 3kdk h ASP 593 Cb 0.36 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.79 3kdk h ASP 593 CO 0.00 0.54 0.13 0.44 -1.72 0.00 0.00 179.24 178.63 3kdk h ASP 594 N 0.15 0.94 -0.29 6.45 3.32 -0.58 -3.00 116.42 123.41 3kdk h ASP 594 Ca 0.06 -0.20 -0.03 0.00 0.02 0.00 0.00 57.03 56.89 3kdk h ASP 594 Cb 0.34 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 3kdk h ASP 594 CO 0.01 0.92 0.06 0.25 -1.72 0.00 0.00 179.24 178.76 3kdk h LEU 595 N 0.95 0.46 -1.68 1.55 5.85 -1.09 -2.98 115.31 118.37 3kdk h LEU 595 Ca 0.20 -0.25 0.08 0.00 0.84 0.00 0.00 57.88 58.75 3kdk h LEU 595 Cb 0.36 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 3kdk h LEU 595 CO 0.00 0.59 0.35 -0.09 -0.34 0.00 0.00 178.44 178.96 3kdk h ARG 596 N 0.30 0.36 -0.98 1.25 2.43 -1.30 -2.26 114.38 114.18 3kdk h ARG 596 Ca 0.09 -0.02 -0.64 0.00 -0.81 0.00 0.00 59.98 58.60 3kdk h ARG 596 Cb 0.32 -0.08 -0.30 0.00 -0.42 0.00 0.00 29.97 29.49 3kdk h ARG 596 CO 0.00 0.24 0.77 -1.13 -1.51 0.00 0.00 179.97 178.35 3kdk n SER 597 N -4.47 6.89 -4.92 -3.80 3.41 -1.13 -4.63 113.62 104.97 3kdk n SER 597 Ca 0.08 -3.76 -0.26 0.00 -0.26 0.00 0.00 58.87 54.67 3kdk n SER 597 Cb 0.32 -0.93 0.01 0.00 -0.26 0.00 0.00 64.21 63.35 3kdk n SER 597 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3kdk s THR 598 N -4.54 1.56 0.13 6.66 -4.23 -0.85 -5.03 115.64 109.33 3kdk s THR 598 Ca 0.63 -1.46 -0.08 0.00 -1.18 0.00 0.00 61.69 59.60 3kdk s THR 598 Cb 0.50 -2.02 -0.14 0.00 1.34 0.00 0.00 72.50 72.18 3kdk s THR 598 CO 0.01 0.00 1.35 0.77 -0.54 0.00 0.00 174.62 176.21 3kdk h SER 599 N 0.64 0.75 -2.71 3.99 4.64 -1.91 -3.40 113.55 115.53 3kdk h SER 599 Ca -0.35 -0.50 -0.57 0.00 -0.47 0.00 0.00 61.79 59.90 3kdk h SER 599 Cb 1.31 -0.22 -0.39 0.00 -0.31 0.00 0.00 62.40 62.78 3kdk h SER 599 CO 0.55 1.28 -0.82 -0.62 -0.87 0.00 0.00 176.83 176.35 3kdk s ASP 600 N -7.06 3.20 0.18 4.97 2.15 -1.26 -4.67 116.67 114.17 3kdk s ASP 600 Ca -0.08 -1.95 0.18 0.00 0.43 0.00 0.00 52.55 51.14 3kdk s ASP 600 Cb 0.09 -0.44 0.82 0.00 -0.30 0.00 0.00 42.92 43.10 3kdk s ASP 600 CO 0.88 -0.35 1.57 -2.65 -0.17 0.00 0.00 175.17 174.45 3kdk n PRO 601 N 4.37 0.12 0.03 4.34 -0.02 -1.26 -3.36 135.00 139.21 3kdk n PRO 601 Ca 0.06 0.42 0.09 0.00 -2.02 0.00 0.00 63.50 62.05 3kdk n PRO 601 Cb 0.38 -1.75 -0.10 0.00 -0.02 0.00 0.00 33.50 32.01 3kdk n PRO 601 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3kdk n PHE 602 N -1.97 0.43 -3.88 6.00 3.01 -1.26 -4.43 117.46 115.35 3kdk n PHE 602 Ca 0.02 0.13 -0.16 0.00 1.01 0.00 0.00 57.45 58.44 3kdk n PHE 602 Cb 0.16 -0.75 -0.16 0.00 -0.01 0.00 0.00 39.48 38.72 3kdk n PHE 602 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 3kdk s THR 603 N -3.34 0.10 0.89 4.37 2.01 -1.21 0.75 115.64 119.21 3kdk s THR 603 Ca -0.05 0.13 -0.12 0.00 0.31 0.00 0.00 61.69 61.96 3kdk s THR 603 Cb 0.11 -0.20 0.12 0.00 0.01 0.00 0.00 72.50 72.54 3kdk s THR 603 CO 0.85 0.12 1.10 0.00 -0.69 0.00 0.00 174.62 176.01 3kdk h PRO 605 N -1.48 0.00 -0.11 0.00 0.11 -1.89 0.26 132.00 128.90 3kdk h PRO 605 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3kdk h PRO 605 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3kdk h PRO 605 CO 0.58 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 179.09 3kdk n HIS 606 N -2.97 0.13 -0.51 0.65 8.25 -1.26 -4.93 115.22 114.57 3kdk n HIS 606 Ca -0.02 -0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 3kdk n HIS 606 Cb 0.11 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.22 3kdk n HIS 606 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kdk n GLY 607 N 1.15 0.75 3.90 -1.41 0.00 0.90 -5.07 105.19 105.41 3kdk n GLY 607 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 3kdk n GLY 607 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kdk s ARG 608 N -0.49 3.64 0.20 1.61 0.52 -1.25 -4.75 118.95 118.43 3kdk s ARG 608 Ca 0.00 0.05 -0.32 0.00 -0.52 0.00 0.00 55.73 54.94 3kdk s ARG 608 Cb 0.00 -2.62 -0.12 0.00 0.52 0.00 0.00 34.95 32.74 3kdk s ARG 608 CO 0.00 0.18 1.71 -2.14 0.02 0.00 0.00 175.30 175.07 3kdk s PRO 609 N -3.61 4.14 -0.12 3.54 0.02 -1.26 0.44 135.00 138.15 3kdk s PRO 609 Ca 0.45 2.58 -0.07 0.00 0.02 0.00 0.00 61.00 63.97 3kdk s PRO 609 Cb -0.11 -3.11 -0.26 0.00 0.02 0.00 0.00 34.50 31.04 3kdk s PRO 609 CO 0.30 -0.74 0.37 -0.89 -0.33 0.00 0.00 177.00 175.72 3kdk n ILE 610 N 4.02 1.78 -4.83 2.83 5.41 0.23 -4.75 119.36 124.05 3kdk n ILE 610 Ca 0.16 -0.64 -0.29 0.00 1.00 0.00 0.00 62.75 62.97 3kdk n ILE 610 Cb 0.36 -1.75 -0.17 0.00 -0.71 0.00 0.00 39.64 37.37 3kdk n ILE 610 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3kdk s ILE 611 N -2.55 1.69 -0.29 1.39 1.01 -1.17 -1.64 121.20 119.63 3kdk s ILE 611 Ca -0.22 -0.79 -0.11 0.00 0.00 0.00 0.00 60.65 59.53 3kdk s ILE 611 Cb 0.07 -1.50 -0.03 0.00 0.01 0.00 0.00 42.46 41.00 3kdk s ILE 611 CO 0.77 0.48 0.18 -0.63 0.00 0.00 0.00 174.94 175.73 3kdk s ILE 612 N 0.61 5.07 -0.20 2.92 -1.09 -0.40 -4.98 121.20 123.13 3kdk s ILE 612 Ca -0.14 -0.03 -0.04 0.00 -2.23 0.00 0.00 60.65 58.20 3kdk s ILE 612 Cb -0.16 -3.47 -0.02 0.00 -1.58 0.00 0.00 42.46 37.23 3kdk s ILE 612 CO 0.04 0.19 -0.02 -2.28 -1.23 0.00 0.00 174.94 171.64 3kdk s HIS 613 N 1.71 3.00 -0.43 3.97 5.65 -1.26 -0.90 115.29 127.04 3kdk s HIS 613 Ca 0.06 -0.58 -0.12 0.00 0.25 0.00 0.00 55.06 54.68 3kdk s HIS 613 Cb -0.16 -2.07 0.07 0.00 -1.18 0.00 0.00 32.58 29.23 3kdk s HIS 613 CO 0.09 -0.31 0.30 -1.01 -0.65 0.00 0.00 174.74 173.16 3kdk s HIS 614 N 1.07 3.29 0.90 3.88 3.76 -0.16 -4.99 115.29 123.03 3kdk s HIS 614 Ca 0.02 -1.23 -0.11 0.00 -0.15 0.00 0.00 55.06 53.59 3kdk s HIS 614 Cb -0.14 -2.94 0.13 0.00 1.11 0.00 0.00 32.58 30.73 3kdk s HIS 614 CO 0.01 -0.80 1.10 -1.54 -0.85 0.00 0.00 174.74 172.66 3kdk s SER 615 N 2.19 3.33 0.22 1.40 1.04 -1.26 -0.92 113.70 119.69 3kdk s SER 615 Ca 0.03 1.78 -0.08 0.00 0.48 0.00 0.00 55.95 58.16 3kdk s SER 615 Cb -0.23 -2.39 0.36 0.00 0.10 0.00 0.00 66.02 63.85 3kdk s SER 615 CO 0.04 -2.77 1.72 0.74 0.98 0.00 0.00 173.24 173.95 3kdk h THR 616 N -1.64 0.65 -0.01 2.02 2.02 -1.46 -0.35 112.91 114.14 3kdk h THR 616 Ca -0.47 -0.12 0.01 0.00 0.77 0.00 0.00 66.41 66.60 3kdk h THR 616 Cb 1.27 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.95 3kdk h THR 616 CO 0.50 0.06 -0.05 0.22 0.37 0.00 0.00 175.52 176.61 3kdk h TYR 617 N 0.34 -0.13 -0.84 3.16 3.20 -1.91 -1.13 116.97 119.65 3kdk h TYR 617 Ca 0.35 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.22 3kdk h TYR 617 Cb 0.52 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.81 3kdk h TYR 617 CO -0.21 -0.09 0.52 0.93 -1.64 0.00 0.00 178.16 177.67 3kdk h GLU 618 N -0.09 1.14 -0.46 1.82 5.08 -1.74 -1.41 114.58 118.93 3kdk h GLU 618 Ca 0.03 -0.10 -0.09 0.00 -1.00 0.00 0.00 59.36 58.20 3kdk h GLU 618 Cb 0.13 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 3kdk h GLU 618 CO -0.06 0.80 -0.07 0.52 -1.00 0.00 0.00 179.01 179.20 3kdk h MET 619 N 1.16 0.85 -0.92 2.33 2.86 -0.88 0.33 114.93 120.66 3kdk h MET 619 Ca 0.30 -0.31 0.10 0.00 -2.06 0.00 0.00 59.70 57.74 3kdk h MET 619 Cb -0.06 -0.06 -0.08 0.00 0.06 0.00 0.00 31.60 31.47 3kdk h MET 619 CO -0.06 0.94 0.56 0.93 1.06 0.00 0.00 176.91 180.34 3kdk h GLU 620 N 0.70 0.89 -0.04 1.72 5.08 -0.81 -1.51 114.58 120.60 3kdk h GLU 620 Ca 0.12 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 3kdk h GLU 620 Cb 0.60 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 3kdk h GLU 620 CO 0.04 0.59 -0.07 0.87 -1.00 0.00 0.00 179.01 179.44 3kdk h LYS 621 N 0.92 0.12 -0.92 2.33 1.79 -0.80 -2.04 116.57 117.96 3kdk h LYS 621 Ca 0.44 -0.07 0.27 0.00 -2.18 0.00 0.00 60.65 59.11 3kdk h LYS 621 Cb 0.40 0.01 -0.16 0.00 -1.58 0.00 0.00 32.23 30.90 3kdk h LYS 621 CO -0.25 0.63 0.21 0.52 -1.08 0.00 0.00 179.45 179.48 3kdk h MET 622 N -0.37 0.13 -0.01 3.15 2.86 0.08 -2.50 114.93 118.26 3kdk h MET 622 Ca 0.00 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3kdk h MET 622 Cb 0.61 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.24 3kdk h MET 622 CO 0.02 0.08 -0.61 1.19 1.06 0.00 0.00 176.91 178.65 3kdk n PHE 623 N -5.30 0.00 0.40 -0.22 3.72 -0.61 -5.09 117.46 110.36 3kdk n PHE 623 Ca 0.24 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.68 3kdk n PHE 623 Cb 0.77 -0.01 0.04 0.00 -0.94 0.00 0.00 39.48 39.34 3kdk n PHE 623 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34