#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kdk s ASP 434 N 0.00 6.13 -0.04 6.12 1.01 -1.26 -5.06 116.67 123.57 3kdk s ASP 434 Ca 0.00 0.13 -0.30 0.00 0.71 0.00 0.00 52.55 53.10 3kdk s ASP 434 Cb 0.00 -2.14 -0.06 0.00 1.01 0.00 0.00 42.92 41.74 3kdk s ASP 434 CO 0.00 -0.02 1.64 -0.60 0.21 0.00 0.00 175.17 176.41 3kdk s ARG 435 N 1.43 4.19 0.26 8.23 6.06 -1.26 -4.96 118.95 132.90 3kdk s ARG 435 Ca 0.09 2.19 -0.30 0.00 -2.50 0.00 0.00 55.73 55.21 3kdk s ARG 435 Cb -0.15 -3.94 -0.13 0.00 0.06 0.00 0.00 34.95 30.78 3kdk s ARG 435 CO 0.08 -0.83 1.29 0.28 -2.50 0.00 0.00 175.30 173.61 3kdk n VAL 436 N 5.40 1.37 -1.57 7.11 0.31 -1.26 -4.98 118.33 124.71 3kdk n VAL 436 Ca 0.17 -0.34 -0.30 0.00 -0.01 0.00 0.00 64.34 63.85 3kdk n VAL 436 Cb 0.43 -1.35 0.07 0.00 -0.91 0.00 0.00 33.84 32.08 3kdk n VAL 436 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 3kdk s PRO 437 N -0.95 2.51 0.26 5.55 0.02 -1.26 -4.95 135.00 136.19 3kdk s PRO 437 Ca 0.64 0.79 -0.30 0.00 0.02 0.00 0.00 61.00 62.15 3kdk s PRO 437 Cb -0.66 -1.95 -0.14 0.00 0.02 0.00 0.00 34.50 31.76 3kdk s PRO 437 CO 0.55 -1.36 1.14 -0.89 -0.33 0.00 0.00 177.00 176.11 3kdk n ILE 438 N -3.28 1.60 -4.66 2.83 5.41 -1.26 -4.99 119.36 115.02 3kdk n ILE 438 Ca 0.07 -0.40 -0.32 0.00 1.00 0.00 0.00 62.75 63.10 3kdk n ILE 438 Cb 0.55 -1.11 -0.12 0.00 -0.71 0.00 0.00 39.64 38.25 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 -1.17 2.49 -0.07 0.38 -1.94 -1.26 -4.74 119.30 112.99 3kdk s MET 439 Ca 0.63 -0.73 0.03 0.00 -1.71 0.00 0.00 55.69 53.91 3kdk s MET 439 Cb -0.71 -2.42 -0.02 0.00 2.01 0.00 0.00 34.83 33.69 3kdk s MET 439 CO 0.57 0.61 -0.15 0.71 -0.01 0.00 0.00 175.02 176.74 3kdk s TYR 440 N -0.87 2.69 0.32 -0.03 2.02 -0.18 -4.88 117.35 116.43 3kdk s TYR 440 Ca 0.14 -0.34 -0.28 0.00 -0.37 0.00 0.00 57.07 56.21 3kdk s TYR 440 Cb -0.11 -1.68 -0.10 0.00 -0.40 0.00 0.00 41.96 39.68 3kdk s TYR 440 CO 0.04 0.04 1.19 -2.14 -1.57 0.00 0.00 175.55 173.11 3kdk s PRO 441 N -0.40 4.42 -0.25 -1.71 0.02 -1.26 -0.39 135.00 135.43 3kdk s PRO 441 Ca 0.04 1.97 -0.07 0.00 0.02 0.00 0.00 61.00 62.96 3kdk s PRO 441 Cb -0.12 -3.04 -0.13 0.00 0.02 0.00 0.00 34.50 31.22 3kdk s PRO 441 CO 0.02 -0.04 -0.28 -0.89 -0.33 0.00 0.00 177.00 175.48 3kdk n ILE 442 N 0.82 1.40 -3.40 2.83 5.41 0.17 -4.83 119.36 121.76 3kdk n ILE 442 Ca 0.00 -0.43 0.00 0.00 1.00 0.00 0.00 62.75 63.32 3kdk n ILE 442 Cb 0.44 -1.65 0.00 0.00 -0.71 0.00 0.00 39.64 37.72 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 1.78 -0.63 3.19 7.39 0.00 -1.01 -5.00 105.19 110.90 3kdk n GLY 443 Ca -0.48 -0.82 -0.11 0.00 0.00 0.00 0.00 46.02 44.61 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 -0.80 1.08 -0.02 1.61 1.03 -1.26 -0.35 119.66 120.95 3kdk s GLN 444 Ca 0.00 -1.54 -0.01 0.00 0.04 0.00 0.00 55.36 53.85 3kdk s GLN 444 Cb 0.00 0.15 0.02 0.00 0.03 0.00 0.00 33.01 33.21 3kdk s GLN 444 CO 0.00 -0.29 0.04 0.00 -2.54 0.00 0.00 175.29 172.50 3kdk s MET 445 N -4.07 0.01 -1.17 9.60 0.23 -0.15 -4.92 119.30 118.84 3kdk s MET 445 Ca 0.30 0.14 0.00 0.00 -1.03 0.00 0.00 55.69 55.10 3kdk s MET 445 Cb 0.07 -0.11 0.00 0.00 -1.53 0.00 0.00 34.83 33.26 3kdk s MET 445 CO 0.06 -0.09 0.00 0.72 -2.03 0.00 0.00 175.02 173.69 3kdk n HIS 446 N 3.63 0.00 -1.65 3.16 8.25 -1.26 -1.50 115.22 125.86 3kdk n HIS 446 Ca -0.20 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.08 3kdk n HIS 446 Cb 0.55 -2.42 -0.07 0.00 1.12 0.00 0.00 29.99 29.17 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 -0.60 1.49 0.00 -1.41 0.00 -1.26 -4.80 105.19 98.60 3kdk n GLY 447 Ca -0.11 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.69 0.00 -4.88 2.61 -1.04 -0.56 -4.51 114.28 103.21 3kdk n THR 448 Ca -0.19 0.00 -0.26 0.00 -2.04 0.00 0.00 64.05 61.56 3kdk n THR 448 Cb 0.61 -0.38 -0.15 0.00 -1.82 0.00 0.00 70.33 68.58 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 -1.54 1.76 -0.11 -1.42 2.02 -0.80 -2.05 117.35 115.21 3kdk s TYR 449 Ca 0.00 -0.34 -0.03 0.00 -0.37 0.00 0.00 57.07 56.32 3kdk s TYR 449 Cb 0.00 -1.12 -0.03 0.00 -0.40 0.00 0.00 41.96 40.41 3kdk s TYR 449 CO 0.00 -0.00 0.02 0.42 -1.57 0.00 0.00 175.55 174.42 3kdk s ILE 450 N -0.54 4.49 -0.20 2.71 1.01 0.77 -0.97 121.20 128.48 3kdk s ILE 450 Ca 0.07 -0.17 -0.05 0.00 0.00 0.00 0.00 60.65 60.50 3kdk s ILE 450 Cb -0.08 -2.93 -0.03 0.00 0.01 0.00 0.00 42.46 39.44 3kdk s ILE 450 CO -0.00 0.58 0.01 -0.76 0.00 0.00 0.00 174.94 174.76 3kdk s LEU 451 N -0.60 3.34 0.13 2.97 2.01 0.53 -0.83 118.68 126.23 3kdk s LEU 451 Ca 0.10 -0.16 0.01 0.00 0.01 0.00 0.00 54.13 54.10 3kdk s LEU 451 Cb -0.12 -1.85 -0.04 0.00 0.01 0.00 0.00 46.19 44.19 3kdk s LEU 451 CO 0.02 0.08 -0.02 0.00 1.01 0.00 0.00 176.35 177.44 3kdk s ALA 452 N 0.92 1.10 0.13 4.21 0.00 -0.47 0.46 121.76 128.10 3kdk s ALA 452 Ca 0.02 -1.46 -0.14 0.00 0.00 0.00 0.00 51.96 50.37 3kdk s ALA 452 Cb -0.14 0.43 0.02 0.00 0.00 0.00 0.00 23.12 23.43 3kdk s ALA 452 CO 0.02 -0.31 0.36 1.14 0.00 0.00 0.00 175.76 176.97 3kdk s GLN 453 N -3.90 1.08 0.15 0.00 1.03 0.47 -0.41 119.66 118.08 3kdk s GLN 453 Ca 0.18 -0.84 -0.04 0.00 0.04 0.00 0.00 55.36 54.70 3kdk s GLN 453 Cb 0.06 0.44 0.02 0.00 0.03 0.00 0.00 33.01 33.56 3kdk s GLN 453 CO -0.00 -0.41 0.27 0.27 -2.54 0.00 0.00 175.29 172.88 3kdk n ASN 454 N -0.21 -0.79 -0.08 12.60 0.23 -0.89 -1.01 115.26 125.11 3kdk n ASN 454 Ca -0.14 -1.63 0.25 0.00 -0.53 0.00 0.00 54.58 52.53 3kdk n ASN 454 Cb 0.63 1.34 0.72 0.00 -2.08 0.00 0.00 39.78 40.39 3kdk n ASN 454 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3kdk h GLU 455 N 0.00 0.00 0.00 -3.83 5.08 -2.01 -0.80 114.58 113.02 3kdk h GLU 455 Ca -0.12 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 3kdk h GLU 455 Cb 0.47 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 3kdk h GLU 455 CO 0.16 0.00 -0.12 -0.91 -1.00 0.00 0.00 179.01 177.14 3kdk h ASN 456 N 0.00 0.00 0.00 1.42 2.35 -1.97 -3.44 115.58 113.94 3kdk h ASN 456 Ca 0.34 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.09 3kdk h ASN 456 Cb 1.47 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.84 3kdk h ASN 456 CO -0.00 0.12 0.00 0.61 -1.65 0.00 0.00 177.43 176.51 3kdk n GLY 457 N 0.67 0.59 3.65 2.83 0.00 -0.31 -1.03 105.19 111.59 3kdk n GLY 457 Ca 0.02 -1.50 -0.34 0.00 0.00 0.00 0.00 46.02 44.20 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 3.42 -0.13 0.99 2.96 0.11 -2.10 118.68 123.93 3kdk s LEU 458 Ca 0.00 0.05 0.01 0.00 -0.22 0.00 0.00 54.13 53.98 3kdk s LEU 458 Cb 0.00 -1.81 0.02 0.00 0.50 0.00 0.00 46.19 44.89 3kdk s LEU 458 CO 0.00 0.35 -0.16 -0.31 -1.32 0.00 0.00 176.35 174.91 3kdk s TYR 459 N -0.90 2.14 -0.22 5.38 1.51 0.45 -0.16 117.35 125.55 3kdk s TYR 459 Ca 0.14 -1.09 -0.07 0.00 -1.01 0.00 0.00 57.07 55.03 3kdk s TYR 459 Cb -0.11 -1.54 -0.03 0.00 -0.11 0.00 0.00 41.96 40.16 3kdk s TYR 459 CO 0.04 -0.57 0.07 0.42 -1.11 0.00 0.00 175.55 174.40 3kdk s ILE 460 N 1.14 4.53 -0.14 2.71 1.01 0.16 -1.37 121.20 129.24 3kdk s ILE 460 Ca -0.02 -0.11 0.01 0.00 0.00 0.00 0.00 60.65 60.53 3kdk s ILE 460 Cb -0.14 -3.09 0.02 0.00 0.01 0.00 0.00 42.46 39.26 3kdk s ILE 460 CO -0.05 0.38 -0.16 -0.63 0.00 0.00 0.00 174.94 174.49 3kdk s ILE 461 N 1.11 1.64 -0.46 2.92 1.01 -0.01 -0.71 121.20 126.69 3kdk s ILE 461 Ca 0.04 -0.70 -0.28 0.00 0.00 0.00 0.00 60.65 59.72 3kdk s ILE 461 Cb -0.14 -1.51 -0.01 0.00 0.01 0.00 0.00 42.46 40.81 3kdk s ILE 461 CO 0.03 0.47 1.65 -0.62 0.00 0.00 0.00 174.94 176.47 3kdk s ASP 462 N 1.26 5.89 0.30 3.58 -1.08 -0.73 -0.16 116.67 125.72 3kdk s ASP 462 Ca 0.00 0.76 0.06 0.00 -0.52 0.00 0.00 52.55 52.86 3kdk s ASP 462 Cb -0.14 -2.53 0.46 0.00 -1.46 0.00 0.00 42.92 39.25 3kdk s ASP 462 CO -0.07 -1.81 1.71 0.06 0.52 0.00 0.00 175.17 175.58 3kdk h GLN 463 N 12.52 0.26 -0.14 4.34 3.07 -1.74 -1.12 115.11 132.30 3kdk h GLN 463 Ca -0.29 -0.12 -0.04 0.00 0.09 0.00 0.00 58.65 58.30 3kdk h GLN 463 Cb 1.14 -0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.69 3kdk h GLN 463 CO 1.12 0.62 -0.05 1.25 0.09 0.00 0.00 178.83 181.85 3kdk h HIS 464 N 0.22 0.32 -0.93 0.06 2.76 -1.90 -0.78 115.15 114.89 3kdk h HIS 464 Ca 0.02 -0.08 0.07 0.00 -2.20 0.00 0.00 60.37 58.19 3kdk h HIS 464 Cb 0.79 -0.07 -0.06 0.00 1.55 0.00 0.00 27.41 29.62 3kdk h HIS 464 CO 0.01 0.59 0.60 0.00 -1.30 0.00 0.00 177.93 177.84 3kdk h ALA 465 N 0.68 1.50 -0.10 5.26 0.00 -1.89 -0.91 119.26 123.79 3kdk h ALA 465 Ca 0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3kdk h ALA 465 Cb 0.50 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3kdk h ALA 465 CO 0.02 0.36 0.04 0.00 0.00 0.00 0.00 179.25 179.67 3kdk h ALA 466 N 1.50 0.13 -0.63 0.00 0.00 -1.04 -2.19 119.26 117.04 3kdk h ALA 466 Ca 0.40 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.23 3kdk h ALA 466 Cb 0.22 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3kdk h ALA 466 CO -0.16 -0.28 0.41 1.96 0.00 0.00 0.00 179.25 181.19 3kdk h GLN 467 N 0.01 0.78 0.18 0.00 4.20 -0.64 -1.69 115.11 117.94 3kdk h GLN 467 Ca 0.03 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 3kdk h GLN 467 Cb 0.18 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.78 3kdk h GLN 467 CO -0.00 0.52 -0.09 0.93 -0.67 0.00 0.00 178.83 179.52 3kdk h GLU 468 N 0.80 -0.23 -0.12 1.46 5.08 -0.96 -0.90 114.58 119.70 3kdk h GLU 468 Ca 0.24 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.65 3kdk h GLU 468 Cb -0.03 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.24 3kdk h GLU 468 CO -0.06 -0.13 -0.09 -0.09 -1.00 0.00 0.00 179.01 177.64 3kdk h ARG 469 N -0.27 -0.09 0.42 2.33 9.65 -0.94 0.26 114.38 125.74 3kdk h ARG 469 Ca -0.02 0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 58.85 3kdk h ARG 469 Cb 0.21 0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 28.79 3kdk h ARG 469 CO 0.04 -0.06 -0.43 0.82 2.80 0.00 0.00 179.97 183.14 3kdk h ILE 470 N -0.10 0.00 -0.98 1.20 2.04 -1.28 -2.49 117.51 115.90 3kdk h ILE 470 Ca 0.08 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.02 3kdk h ILE 470 Cb 0.21 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.22 3kdk h ILE 470 CO -0.19 0.00 0.63 0.11 0.00 0.00 0.00 178.15 178.70 3kdk h LYS 471 N -0.85 1.05 -0.18 2.37 1.57 -1.04 -2.17 116.57 117.33 3kdk h LYS 471 Ca -0.05 -0.06 0.04 0.00 -1.87 0.00 0.00 60.65 58.70 3kdk h LYS 471 Cb 0.73 -0.24 -0.04 0.00 0.08 0.00 0.00 32.23 32.77 3kdk h LYS 471 CO -0.05 0.69 -0.06 -0.92 -0.57 0.00 0.00 179.45 178.54 3kdk h TYR 472 N 1.08 -0.13 -0.16 -1.35 3.20 -0.23 -0.44 116.97 118.94 3kdk h TYR 472 Ca 0.44 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 62.20 3kdk h TYR 472 Cb 0.27 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 3kdk h TYR 472 CO -0.00 -0.09 -0.44 0.93 -1.64 0.00 0.00 178.16 176.92 3kdk h GLU 473 N -0.02 0.38 0.16 1.82 5.08 -1.04 0.25 114.58 121.21 3kdk h GLU 473 Ca 0.09 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3kdk h GLU 473 Cb 0.16 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 3kdk h GLU 473 CO -0.19 0.75 -0.15 -0.92 -1.00 0.00 0.00 179.01 177.49 3kdk h TYR 474 N 0.31 -0.40 0.00 4.33 3.20 -0.92 -1.30 116.97 122.19 3kdk h TYR 474 Ca 0.02 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.79 3kdk h TYR 474 Cb 0.90 0.16 -0.01 0.00 1.54 0.00 0.00 36.73 39.31 3kdk h TYR 474 CO 0.03 -0.23 -0.48 0.74 -1.64 0.00 0.00 178.16 176.57 3kdk h PHE 475 N -0.34 0.00 0.00 -3.82 0.04 -0.94 -2.62 116.94 109.26 3kdk h PHE 475 Ca 0.00 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.72 3kdk h PHE 475 Cb 0.32 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.46 3kdk h PHE 475 CO -0.13 0.48 -0.27 -0.09 -0.60 0.00 0.00 178.31 177.71 3kdk h ARG 476 N 0.00 0.00 0.00 1.51 9.65 -0.32 -1.82 114.38 123.40 3kdk h ARG 476 Ca -0.00 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.87 3kdk h ARG 476 Cb 1.12 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.70 3kdk h ARG 476 CO 0.06 0.27 -0.03 1.49 2.80 0.00 0.00 179.97 184.56 3kdk h GLU 477 N 0.00 0.02 -0.48 0.20 4.81 -1.02 -3.26 114.58 114.85 3kdk h GLU 477 Ca -0.00 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.23 3kdk h GLU 477 Cb 0.67 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.02 3kdk h GLU 477 CO 0.03 0.83 0.29 0.87 -0.73 0.00 0.00 179.01 180.30 3kdk h LYS 478 N -0.78 0.56 0.00 1.92 1.79 -1.35 -2.03 116.57 116.68 3kdk h LYS 478 Ca -0.00 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 3kdk h LYS 478 Cb 0.84 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.36 3kdk h LYS 478 CO 0.01 0.37 0.00 -0.24 -1.08 0.00 0.00 179.45 178.51 3kdk h VAL 479 N 0.58 0.00 -0.00 0.50 3.04 -1.49 -0.74 116.25 118.13 3kdk h VAL 479 Ca 0.19 -0.33 0.00 0.00 -1.01 0.00 0.00 66.70 65.55 3kdk h VAL 479 Cb 0.01 1.20 0.00 0.00 -2.01 0.00 0.00 31.29 30.48 3kdk h VAL 479 CO -0.08 0.00 -0.19 0.61 -1.01 0.00 0.00 177.57 176.90 3kdk n GLY 480 N -0.13 -0.97 3.81 3.17 0.00 -0.78 -4.60 105.19 105.69 3kdk n GLY 480 Ca 0.01 -0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.61 2.79 -0.16 1.61 0.41 -0.29 -5.02 118.70 115.43 3kdk s GLU 481 Ca 0.24 0.99 -0.08 0.00 -0.41 0.00 0.00 54.97 55.70 3kdk s GLU 481 Cb 0.19 -1.97 -0.23 0.00 -1.78 0.00 0.00 34.13 30.34 3kdk s GLU 481 CO 0.52 -1.21 0.22 1.33 -0.49 0.00 0.00 175.26 175.64 3kdk n VAL 482 N -3.21 1.69 -3.72 2.63 0.24 -1.26 -4.83 118.33 109.87 3kdk n VAL 482 Ca 0.08 -0.54 -0.30 0.00 -2.04 0.00 0.00 64.34 61.54 3kdk n VAL 482 Cb 0.53 -1.74 -0.15 0.00 -1.47 0.00 0.00 33.84 31.01 3kdk n VAL 482 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3kdk s GLU 483 N -2.52 0.68 0.20 7.34 2.02 -1.26 -5.08 118.70 120.08 3kdk s GLU 483 Ca -0.26 -1.01 -0.11 0.00 0.02 0.00 0.00 54.97 53.62 3kdk s GLU 483 Cb 0.07 -1.94 -0.07 0.00 0.10 0.00 0.00 34.13 32.30 3kdk s GLU 483 CO 0.71 -0.97 0.54 -2.14 0.02 0.00 0.00 175.26 173.41 3kdk s PRO 484 N 1.66 3.84 0.02 0.39 0.02 -1.26 -5.03 135.00 134.64 3kdk s PRO 484 Ca 0.09 0.32 -0.30 0.00 0.02 0.00 0.00 61.00 61.13 3kdk s PRO 484 Cb -0.17 -2.73 -0.07 0.00 0.02 0.00 0.00 34.50 31.55 3kdk s PRO 484 CO -0.25 0.36 1.63 -1.21 -0.33 0.00 0.00 177.00 177.20 3kdk s GLU 485 N -2.58 4.20 0.11 5.54 2.02 -1.26 -4.95 118.70 121.78 3kdk s GLU 485 Ca 0.45 2.24 -0.04 0.00 0.02 0.00 0.00 54.97 57.63 3kdk s GLU 485 Cb -0.12 -3.74 -0.05 0.00 0.10 0.00 0.00 34.13 30.31 3kdk s GLU 485 CO 0.21 -0.76 0.34 0.08 0.02 0.00 0.00 175.26 175.15 3kdk s VAL 486 N 3.12 5.21 -0.17 2.63 1.01 -1.26 -0.41 120.40 130.53 3kdk s VAL 486 Ca 0.73 0.00 -0.00 0.00 0.00 0.00 0.00 61.98 62.70 3kdk s VAL 486 Cb -0.37 -3.62 0.04 0.00 0.00 0.00 0.00 36.38 32.44 3kdk s VAL 486 CO 0.31 0.10 -0.05 -1.58 0.00 0.00 0.00 175.10 173.88 3kdk s GLN 487 N -2.50 1.43 0.56 2.72 0.74 0.84 -4.75 119.66 118.70 3kdk s GLN 487 Ca 0.38 -0.56 -0.19 0.00 0.05 0.00 0.00 55.36 55.04 3kdk s GLN 487 Cb -0.12 -2.07 -0.05 0.00 1.10 0.00 0.00 33.01 31.86 3kdk s GLN 487 CO 0.24 -0.46 1.17 -2.00 -0.55 0.00 0.00 175.29 173.69 3kdk s GLU 488 N 1.62 3.20 -0.07 1.67 2.12 -1.26 -2.03 118.70 123.95 3kdk s GLU 488 Ca 0.00 1.73 -0.04 0.00 0.36 0.00 0.00 54.97 57.01 3kdk s GLU 488 Cb -0.16 -2.00 -0.04 0.00 0.26 0.00 0.00 34.13 32.20 3kdk s GLU 488 CO -0.08 -1.00 0.12 -1.64 -0.54 0.00 0.00 175.26 172.13 3kdk s MET 489 N -3.27 3.32 0.14 4.30 -1.94 0.13 -4.94 119.30 117.05 3kdk s MET 489 Ca 0.74 -0.26 -0.20 0.00 -1.71 0.00 0.00 55.69 54.27 3kdk s MET 489 Cb -0.27 -3.07 0.01 0.00 2.01 0.00 0.00 34.83 33.51 3kdk s MET 489 CO 0.30 0.73 1.68 0.82 -0.01 0.00 0.00 175.02 178.54 3kdk h ILE 490 N 3.65 0.68 -3.76 2.53 1.08 -1.96 -3.35 117.51 116.38 3kdk h ILE 490 Ca -0.52 0.00 -0.66 0.00 -0.39 0.00 0.00 64.86 63.28 3kdk h ILE 490 Cb 1.21 0.68 -0.39 0.00 -3.07 0.00 0.00 36.82 35.26 3kdk h ILE 490 CO 0.60 0.00 -0.76 -0.69 -0.69 0.00 0.00 178.15 176.62 3kdk s VAL 491 N -6.19 2.22 1.10 1.67 1.01 -1.26 -5.12 120.40 113.83 3kdk s VAL 491 Ca -0.14 -2.03 -0.18 0.00 0.00 0.00 0.00 61.98 59.63 3kdk s VAL 491 Cb 0.12 -2.50 0.10 0.00 0.00 0.00 0.00 36.38 34.10 3kdk s VAL 491 CO 0.69 -0.35 0.08 -2.65 0.00 0.00 0.00 175.10 172.87 3kdk n PRO 492 N 4.33 -1.47 -4.33 2.72 -0.02 -1.26 -5.01 135.00 129.97 3kdk n PRO 492 Ca -0.04 -0.41 -0.32 0.00 -2.02 0.00 0.00 63.50 60.71 3kdk n PRO 492 Cb 0.42 -1.73 -0.09 0.00 -0.02 0.00 0.00 33.50 32.07 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 -1.43 3.37 -0.08 2.45 1.43 -0.86 -4.87 118.68 118.69 3kdk s LEU 493 Ca 0.56 -0.09 0.03 0.00 -1.03 0.00 0.00 54.13 53.61 3kdk s LEU 493 Cb -0.13 -1.95 -0.02 0.00 0.03 0.00 0.00 46.19 44.11 3kdk s LEU 493 CO 0.66 0.27 -0.16 -0.89 0.23 0.00 0.00 176.35 176.46 3kdk s THR 494 N -1.08 2.86 -0.05 5.49 2.01 -1.26 -0.70 115.64 122.91 3kdk s THR 494 Ca 0.19 -0.77 -0.02 0.00 0.31 0.00 0.00 61.69 61.40 3kdk s THR 494 Cb -0.11 -2.13 0.03 0.00 0.01 0.00 0.00 72.50 70.30 3kdk s THR 494 CO 0.10 0.57 0.05 -0.36 -0.69 0.00 0.00 174.62 174.29 3kdk s PHE 495 N -0.29 0.15 -0.00 4.92 0.08 -0.55 -5.02 117.98 117.28 3kdk s PHE 495 Ca 0.02 0.19 0.01 0.00 0.12 0.00 0.00 56.93 57.27 3kdk s PHE 495 Cb -0.13 -0.53 -0.04 0.00 -0.57 0.00 0.00 43.02 41.76 3kdk s PHE 495 CO 0.03 -0.21 0.01 -1.01 -0.10 0.00 0.00 175.22 173.93 3kdk s HIS 496 N 2.14 3.09 0.31 0.36 3.76 -1.26 -2.10 115.29 121.59 3kdk s HIS 496 Ca 0.05 0.09 -0.01 0.00 -0.15 0.00 0.00 55.06 55.04 3kdk s HIS 496 Cb -0.12 -1.67 -0.01 0.00 1.11 0.00 0.00 32.58 31.88 3kdk s HIS 496 CO -0.03 0.47 0.39 0.71 -0.85 0.00 0.00 174.74 175.43 3kdk s TYR 497 N -1.10 1.15 0.76 1.40 2.02 -1.19 -5.07 117.35 115.32 3kdk s TYR 497 Ca 0.20 -1.33 -0.02 0.00 -0.37 0.00 0.00 57.07 55.56 3kdk s TYR 497 Cb -0.12 -0.25 0.15 0.00 -0.40 0.00 0.00 41.96 41.34 3kdk s TYR 497 CO 0.11 -1.00 1.04 0.45 -1.57 0.00 0.00 175.55 174.57 3kdk s SER 498 N -3.23 4.14 0.45 2.29 0.15 -1.26 -4.86 113.70 111.38 3kdk s SER 498 Ca 0.33 -0.41 0.31 0.00 0.70 0.00 0.00 55.95 56.87 3kdk s SER 498 Cb 0.01 0.13 1.33 0.00 -1.71 0.00 0.00 66.02 65.77 3kdk s SER 498 CO 0.20 -2.01 1.91 0.00 1.20 0.00 0.00 173.24 174.53 3kdk h THR 499 N -0.66 0.00 0.00 6.45 1.03 -1.98 -1.79 112.91 115.96 3kdk h THR 499 Ca -0.36 -0.34 -0.05 0.00 -0.01 0.00 0.00 66.41 65.66 3kdk h THR 499 Cb 1.26 1.21 -0.01 0.00 -1.07 0.00 0.00 68.15 69.55 3kdk h THR 499 CO 0.38 0.00 -0.47 0.78 -0.01 0.00 0.00 175.52 176.20 3kdk h ASN 500 N 0.00 0.00 -0.47 0.00 2.35 -1.99 -3.23 115.58 112.25 3kdk h ASN 500 Ca 0.00 -0.23 0.02 0.00 -0.55 0.00 0.00 56.30 55.54 3kdk h ASN 500 Cb 0.38 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.72 3kdk h ASN 500 CO 0.00 0.87 0.28 1.05 -1.65 0.00 0.00 177.43 177.99 3kdk h GLU 501 N -1.00 0.56 0.00 0.81 4.11 -1.94 -0.07 114.58 117.04 3kdk h GLU 501 Ca -0.07 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 59.31 3kdk h GLU 501 Cb 0.60 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 3kdk h GLU 501 CO -0.04 0.37 -0.07 0.00 0.07 0.00 0.00 179.01 179.33 3kdk h ALA 502 N 1.20 1.37 0.09 1.06 0.00 -1.53 0.19 119.26 121.64 3kdk h ALA 502 Ca 0.18 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3kdk h ALA 502 Cb -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3kdk h ALA 502 CO -0.07 0.09 -0.04 1.25 0.00 0.00 0.00 179.25 180.47 3kdk h LEU 503 N 0.00 -0.10 -0.13 0.00 5.85 -1.14 -2.79 115.31 117.00 3kdk h LEU 503 Ca -0.00 -0.48 -0.01 0.00 0.84 0.00 0.00 57.88 58.23 3kdk h LEU 503 Cb 0.20 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 3kdk h LEU 503 CO 0.01 0.49 0.06 0.40 -0.34 0.00 0.00 178.44 179.05 3kdk h ILE 504 N -0.75 1.14 -0.82 4.05 2.04 -0.64 -2.84 117.51 119.68 3kdk h ILE 504 Ca -0.01 -0.43 0.11 0.00 1.00 0.00 0.00 64.86 65.53 3kdk h ILE 504 Cb 0.58 1.19 -0.06 0.00 -0.74 0.00 0.00 36.82 37.78 3kdk h ILE 504 CO 0.02 0.13 0.53 0.40 0.00 0.00 0.00 178.15 179.24 3kdk h ILE 505 N 0.07 0.90 0.00 -0.67 2.04 -0.74 -0.56 117.51 118.55 3kdk h ILE 505 Ca 0.04 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.67 3kdk h ILE 505 Cb 0.16 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.38 3kdk h ILE 505 CO -0.00 0.13 0.00 1.21 0.00 0.00 0.00 178.15 179.48 3kdk n GLU 506 N -4.52 0.24 0.09 2.37 4.07 -1.05 -3.33 120.64 118.51 3kdk n GLU 506 Ca 0.15 0.21 -0.22 0.00 -0.06 0.00 0.00 57.16 57.23 3kdk n GLU 506 Cb 0.39 -1.79 -0.15 0.00 -0.06 0.00 0.00 31.44 29.83 3kdk n GLU 506 CO 0.00 0.00 0.00 0.37 -0.06 0.00 0.00 177.13 177.44 3kdk h GLN 507 N 0.00 0.41 -1.33 5.31 4.15 -0.88 -3.34 115.11 119.44 3kdk h GLN 507 Ca 0.00 -0.70 -0.35 0.00 0.77 0.00 0.00 58.65 58.37 3kdk h GLN 507 Cb 0.71 0.26 -0.16 0.00 0.21 0.00 0.00 27.48 28.50 3kdk h GLN 507 CO 0.00 1.33 0.46 0.72 -1.93 0.00 0.00 178.83 179.41 3kdk n HIS 508 N -3.90 1.77 1.89 3.99 8.25 -0.99 -4.54 115.22 121.69 3kdk n HIS 508 Ca -0.17 -1.90 0.07 0.00 -0.26 0.00 0.00 57.72 55.47 3kdk n HIS 508 Cb 0.97 -0.93 0.44 0.00 1.12 0.00 0.00 29.99 31.60 3kdk n HIS 508 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 3kdk n LYS 509 N 0.01 0.94 -0.00 -0.41 4.81 -1.23 -1.00 118.16 121.28 3kdk n LYS 509 Ca 0.34 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.80 3kdk n LYS 509 Cb 0.74 -1.25 -0.02 0.00 0.02 0.00 0.00 35.03 34.53 3kdk n LYS 509 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 3kdk n GLN 510 N -0.75 2.39 -0.02 1.64 6.02 -1.26 -3.97 117.38 121.43 3kdk n GLN 510 Ca 0.11 -0.01 -0.16 0.00 -0.01 0.00 0.00 57.00 56.93 3kdk n GLN 510 Cb 0.05 -0.88 -0.14 0.00 1.02 0.00 0.00 30.24 30.29 3kdk n GLN 510 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3kdk n GLU 511 N -1.38 0.70 0.23 -1.09 1.02 -0.99 -2.50 120.64 116.63 3kdk n GLU 511 Ca -0.00 0.25 0.13 0.00 -0.02 0.00 0.00 57.16 57.51 3kdk n GLU 511 Cb 0.05 -1.71 0.33 0.00 -0.02 0.00 0.00 31.44 30.09 3kdk n GLU 511 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3kdk h LEU 512 N 0.04 0.00 0.75 -4.62 3.38 -1.33 -2.92 115.31 110.60 3kdk h LEU 512 Ca -0.40 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.54 3kdk h LEU 512 Cb 2.03 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.79 3kdk h LEU 512 CO 0.07 0.06 -0.36 -0.33 0.09 0.00 0.00 178.44 177.97 3kdk h GLU 513 N 0.00 -0.97 -0.01 1.13 5.08 -1.63 0.31 114.58 118.49 3kdk h GLU 513 Ca -0.00 0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 3kdk h GLU 513 Cb 0.87 0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 3kdk h GLU 513 CO 0.01 -0.65 -0.23 0.66 -1.00 0.00 0.00 179.01 177.80 3kdk h SER 514 N -1.03 0.02 0.77 1.42 4.64 -1.57 -1.70 113.55 116.09 3kdk h SER 514 Ca -0.10 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 3kdk h SER 514 Cb 0.77 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 3kdk h SER 514 CO 0.17 0.25 0.00 0.52 -0.87 0.00 0.00 176.83 176.90 3kdk n VAL 515 N -4.26 0.75 0.00 0.95 0.31 -1.10 -4.77 118.33 110.22 3kdk n VAL 515 Ca -0.02 0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 3kdk n VAL 515 Cb 0.29 -0.94 0.00 0.00 -0.91 0.00 0.00 33.84 32.28 3kdk n VAL 515 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kdk n GLY 516 N 0.36 0.70 3.53 2.92 0.00 -0.64 -5.01 105.19 107.06 3kdk n GLY 516 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.00 4.94 -0.48 1.61 1.01 0.10 -4.48 120.40 121.10 3kdk s VAL 517 Ca 0.00 0.18 -0.10 0.00 0.00 0.00 0.00 61.98 62.06 3kdk s VAL 517 Cb 0.00 -4.08 0.12 0.00 0.00 0.00 0.00 36.38 32.42 3kdk s VAL 517 CO 0.00 -0.41 0.36 -0.36 0.00 0.00 0.00 175.10 174.70 3kdk s PHE 518 N 2.56 3.40 -0.37 5.22 0.08 -1.26 -3.69 117.98 123.93 3kdk s PHE 518 Ca 0.20 -1.80 -0.13 0.00 0.12 0.00 0.00 56.93 55.32 3kdk s PHE 518 Cb -0.15 -3.52 -0.00 0.00 -0.57 0.00 0.00 43.02 38.77 3kdk s PHE 518 CO 0.16 -0.99 0.26 -0.51 -0.10 0.00 0.00 175.22 174.03 3kdk s LEU 519 N 1.39 4.73 -0.25 -0.37 1.02 -1.26 -4.44 118.68 119.50 3kdk s LEU 519 Ca 0.05 -0.61 -0.12 0.00 0.02 0.00 0.00 54.13 53.47 3kdk s LEU 519 Cb -0.27 -2.14 -0.05 0.00 0.02 0.00 0.00 46.19 43.76 3kdk s LEU 519 CO -0.00 -0.32 0.23 -1.61 0.02 0.00 0.00 176.35 174.67 3kdk s GLU 520 N 1.70 4.05 -0.16 1.70 2.02 -0.70 -4.93 118.70 122.38 3kdk s GLU 520 Ca 0.06 -0.18 -0.17 0.00 0.02 0.00 0.00 54.97 54.70 3kdk s GLU 520 Cb -0.18 -3.59 -0.04 0.00 0.10 0.00 0.00 34.13 30.42 3kdk s GLU 520 CO 0.10 -0.06 0.42 -1.54 0.02 0.00 0.00 175.26 174.20 3kdk s SER 521 N 1.32 6.55 -0.08 -0.19 1.04 -1.26 -0.46 113.70 120.62 3kdk s SER 521 Ca 0.10 0.65 -0.05 0.00 0.48 0.00 0.00 55.95 57.12 3kdk s SER 521 Cb -0.15 -2.25 -0.04 0.00 0.10 0.00 0.00 66.02 63.69 3kdk s SER 521 CO 0.07 -0.02 -0.12 0.49 0.98 0.00 0.00 173.24 174.65 3kdk n PHE 522 N 3.98 0.00 -2.06 5.02 3.72 -0.81 -5.01 117.46 122.30 3kdk n PHE 522 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 3kdk n PHE 522 Cb 0.51 -0.32 0.00 0.00 -0.94 0.00 0.00 39.48 38.73 3kdk n PHE 522 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3kdk n GLY 523 N 2.46 2.88 3.65 1.37 0.00 -1.26 -5.02 105.19 109.28 3kdk n GLY 523 Ca -0.17 -2.02 -0.43 0.00 0.00 0.00 0.00 46.02 43.40 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 -0.66 6.84 -1.59 1.61 0.15 -1.26 -3.63 113.70 115.16 3kdk s SER 524 Ca 0.00 1.59 0.00 0.00 0.70 0.00 0.00 55.95 58.24 3kdk s SER 524 Cb 0.00 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 3kdk s SER 524 CO 0.00 -0.87 0.00 0.59 1.20 0.00 0.00 173.24 174.16 3kdk n ASN 525 N 6.96 -4.49 -4.38 5.45 3.02 -1.26 -4.91 115.26 115.66 3kdk n ASN 525 Ca 0.14 0.29 -0.32 0.00 -0.03 0.00 0.00 54.58 54.66 3kdk n ASN 525 Cb 0.45 -3.95 -0.15 0.00 -0.61 0.00 0.00 39.78 35.52 3kdk n ASN 525 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3kdk s SER 526 N -2.25 3.62 0.06 6.41 0.15 -1.24 -3.15 113.70 117.31 3kdk s SER 526 Ca 0.00 -0.35 0.05 0.00 0.70 0.00 0.00 55.95 56.35 3kdk s SER 526 Cb 0.00 -0.91 -0.03 0.00 -1.71 0.00 0.00 66.02 63.37 3kdk s SER 526 CO 0.00 0.28 -0.14 -0.31 1.20 0.00 0.00 173.24 174.27 3kdk s TYR 527 N -0.37 1.21 0.05 3.44 1.51 -0.89 -1.93 117.35 120.37 3kdk s TYR 527 Ca 0.03 -0.44 0.08 0.00 -1.01 0.00 0.00 57.07 55.74 3kdk s TYR 527 Cb -0.12 -0.69 -0.03 0.00 -0.11 0.00 0.00 41.96 41.01 3kdk s TYR 527 CO 0.02 0.05 -0.23 0.42 -1.11 0.00 0.00 175.55 174.71 3kdk s ILE 528 N -1.18 2.46 -0.39 2.71 1.01 0.40 -1.48 121.20 124.72 3kdk s ILE 528 Ca -0.01 -1.34 0.01 0.00 0.00 0.00 0.00 60.65 59.30 3kdk s ILE 528 Cb -0.09 -2.01 0.11 0.00 0.01 0.00 0.00 42.46 40.47 3kdk s ILE 528 CO 0.02 0.32 0.15 -0.69 0.00 0.00 0.00 174.94 174.73 3kdk s VAL 529 N -0.90 2.78 -0.02 2.92 1.01 0.12 -1.71 120.40 124.61 3kdk s VAL 529 Ca 0.13 -2.32 -0.25 0.00 0.00 0.00 0.00 61.98 59.54 3kdk s VAL 529 Cb -0.10 -2.96 -0.19 0.00 0.00 0.00 0.00 36.38 33.12 3kdk s VAL 529 CO 0.04 -0.66 1.23 0.03 0.00 0.00 0.00 175.10 175.74 3kdk h ARG 530 N 7.69 -0.06 -5.27 2.72 3.08 -1.88 -2.29 114.38 118.38 3kdk h ARG 530 Ca -0.08 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.40 3kdk h ARG 530 Cb 1.02 0.01 -0.13 0.00 0.08 0.00 0.00 29.97 30.95 3kdk h ARG 530 CO 0.61 0.40 -0.56 0.00 -1.07 0.00 0.00 179.97 179.35 3kdk s HIS 532 N -3.05 -0.17 0.28 0.00 -3.43 -0.86 -4.56 115.29 103.50 3kdk s HIS 532 Ca 0.26 0.22 -0.29 0.00 -0.80 0.00 0.00 55.06 54.45 3kdk s HIS 532 Cb 0.06 0.49 -0.14 0.00 -1.43 0.00 0.00 32.58 31.56 3kdk s HIS 532 CO 0.13 -0.19 1.06 -2.30 -2.00 0.00 0.00 174.74 171.44 3kdk n PRO 533 N 0.32 1.42 0.29 -0.38 -0.02 -1.26 -0.11 135.00 135.25 3kdk n PRO 533 Ca -0.03 0.50 0.17 0.00 -2.02 0.00 0.00 63.50 62.12 3kdk n PRO 533 Cb 0.58 -1.91 0.89 0.00 -0.02 0.00 0.00 33.50 33.04 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 2.26 1.19 -0.36 3.55 0.00 -1.03 -2.13 119.26 122.74 3kdk h ALA 534 Ca -0.41 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.36 3kdk h ALA 534 Cb 1.33 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 19.06 3kdk h ALA 534 CO 0.62 0.06 0.12 -2.67 0.00 0.00 0.00 179.25 177.39 3kdk n TRP 535 N -3.42 1.19 -2.79 0.00 4.27 -1.26 -4.89 117.44 110.54 3kdk n TRP 535 Ca -0.02 -0.66 -0.41 0.00 -3.89 0.00 0.00 57.50 52.52 3kdk n TRP 535 Cb 0.18 -0.41 -0.05 0.00 -1.36 0.00 0.00 31.31 29.68 3kdk n TRP 535 CO 0.00 0.00 0.00 -0.06 -2.29 0.00 0.00 177.69 175.34 3kdk s PHE 536 N -1.75 3.79 -0.69 -2.67 0.40 -0.80 -4.94 117.98 111.32 3kdk s PHE 536 Ca 0.27 1.71 -0.32 0.00 -0.60 0.00 0.00 56.93 57.99 3kdk s PHE 536 Cb 0.21 -3.00 -0.16 0.00 0.51 0.00 0.00 43.02 40.59 3kdk s PHE 536 CO 0.07 0.22 2.46 -2.30 0.70 0.00 0.00 175.22 176.37 3kdk n PRO 537 N 2.83 0.47 -0.86 0.24 -0.02 -1.26 -4.86 135.00 131.54 3kdk n PRO 537 Ca 0.01 0.06 -0.33 0.00 -2.02 0.00 0.00 63.50 61.21 3kdk n PRO 537 Cb 0.49 -2.17 0.11 0.00 -0.02 0.00 0.00 33.50 31.92 3kdk n PRO 537 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3kdk n LYS 538 N 8.45 -0.21 0.00 -0.52 4.01 -1.26 -3.01 118.16 125.61 3kdk n LYS 538 Ca 0.53 -0.02 0.00 0.00 -0.51 0.00 0.00 58.31 58.30 3kdk n LYS 538 Cb 0.19 -1.77 0.00 0.00 -0.51 0.00 0.00 35.03 32.94 3kdk n LYS 538 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3kdk n GLY 539 N 1.70 1.05 1.74 0.72 0.00 -1.26 -4.47 105.19 104.67 3kdk n GLY 539 Ca 0.06 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 2.21 -0.22 1.61 0.28 -1.16 -4.61 120.64 118.74 3kdk n GLU 540 Ca 0.00 -3.22 -0.06 0.00 -0.16 0.00 0.00 57.16 53.72 3kdk n GLU 540 Cb 0.00 -2.03 0.04 0.00 1.43 0.00 0.00 31.44 30.88 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 1.21 0.83 0.02 3.44 3.07 -1.76 -1.34 114.58 120.06 3kdk h GLU 541 Ca 0.43 -0.06 -0.00 0.00 -0.50 0.00 0.00 59.36 59.22 3kdk h GLU 541 Cb 1.97 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 29.69 3kdk h GLU 541 CO 0.82 0.57 -0.01 0.00 -1.40 0.00 0.00 179.01 178.98 3kdk h ALA 542 N 1.21 -0.03 -0.92 3.43 0.00 -1.92 -1.91 119.26 119.12 3kdk h ALA 542 Ca 0.23 -0.26 0.23 0.00 0.00 0.00 0.00 54.91 55.11 3kdk h ALA 542 Cb -0.07 0.01 -0.12 0.00 0.00 0.00 0.00 17.79 17.61 3kdk h ALA 542 CO -0.05 -0.25 0.44 1.49 0.00 0.00 0.00 179.25 180.88 3kdk h GLU 543 N -0.56 0.43 0.13 0.00 4.81 -1.86 -1.74 114.58 115.79 3kdk h GLU 543 Ca -0.00 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 3kdk h GLU 543 Cb 0.53 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.81 3kdk h GLU 543 CO 0.01 0.29 -0.06 1.25 -0.73 0.00 0.00 179.01 179.76 3kdk h LEU 544 N 0.44 -0.15 -1.34 1.64 5.85 -1.22 -2.90 115.31 117.63 3kdk h LEU 544 Ca 0.58 -0.39 0.22 0.00 0.84 0.00 0.00 57.88 59.13 3kdk h LEU 544 Cb 1.11 0.04 -0.08 0.00 0.37 0.00 0.00 40.66 42.09 3kdk h LEU 544 CO -0.52 0.37 0.63 0.40 -0.34 0.00 0.00 178.44 178.98 3kdk h ILE 545 N -0.75 0.64 -0.18 4.05 2.04 -0.78 0.46 117.51 122.98 3kdk h ILE 545 Ca -0.02 -0.17 -0.17 0.00 1.00 0.00 0.00 64.86 65.50 3kdk h ILE 545 Cb 0.53 0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.71 3kdk h ILE 545 CO 0.03 0.09 -0.58 -0.08 0.00 0.00 0.00 178.15 177.61 3kdk h GLU 546 N 0.49 0.59 -0.48 2.37 4.81 -1.38 -2.08 114.58 118.89 3kdk h GLU 546 Ca 0.54 -0.38 -0.11 0.00 -0.13 0.00 0.00 59.36 59.27 3kdk h GLU 546 Cb 1.22 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.63 3kdk h GLU 546 CO -0.26 1.00 -0.14 1.49 -0.73 0.00 0.00 179.01 180.36 3kdk h GLU 547 N 0.44 0.95 -0.37 1.92 4.81 0.04 0.77 114.58 123.14 3kdk h GLU 547 Ca 0.00 -0.37 -0.02 0.00 -0.13 0.00 0.00 59.36 58.84 3kdk h GLU 547 Cb 1.13 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.45 3kdk h GLU 547 CO 0.11 1.04 0.17 0.82 -0.73 0.00 0.00 179.01 180.42 3kdk h ILE 548 N 0.80 1.17 0.04 2.32 2.04 -1.01 -0.13 117.51 122.74 3kdk h ILE 548 Ca 0.12 -0.50 0.01 0.00 1.00 0.00 0.00 64.86 65.49 3kdk h ILE 548 Cb 0.70 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 3kdk h ILE 548 CO 0.05 0.18 -0.06 0.40 0.00 0.00 0.00 178.15 178.72 3kdk h ILE 549 N 0.46 0.85 -0.43 -0.67 2.04 -1.11 -2.74 117.51 115.92 3kdk h ILE 549 Ca 0.13 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.07 3kdk h ILE 549 Cb 0.13 0.85 -0.08 0.00 -0.74 0.00 0.00 36.82 36.98 3kdk h ILE 549 CO -0.02 0.00 -0.12 1.56 0.00 0.00 0.00 178.15 179.57 3kdk h GLN 550 N -0.13 -0.02 -0.75 2.37 1.08 0.81 -0.80 115.11 117.67 3kdk h GLN 550 Ca 0.01 0.00 0.14 0.00 -1.45 0.00 0.00 58.65 57.35 3kdk h GLN 550 Cb 0.14 0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 27.48 3kdk h GLN 550 CO -0.04 -0.01 0.31 0.37 -0.95 0.00 0.00 178.83 178.52 3kdk h GLN 551 N -0.02 0.45 0.09 1.46 5.75 -0.88 -0.94 115.11 121.03 3kdk h GLN 551 Ca 0.21 -0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.68 3kdk h GLN 551 Cb 0.33 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 28.78 3kdk h GLN 551 CO -0.45 0.30 -0.05 0.28 -2.65 0.00 0.00 178.83 176.26 3kdk h VAL 552 N 0.47 0.95 -0.17 2.39 2.07 -0.89 -2.10 116.25 118.96 3kdk h VAL 552 Ca 0.41 -0.14 0.05 0.00 0.82 0.00 0.00 66.70 67.84 3kdk h VAL 552 Cb 0.60 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 3kdk h VAL 552 CO -0.39 0.03 0.20 -0.07 0.02 0.00 0.00 177.57 177.37 3kdk h LEU 553 N -0.19 0.00 0.00 2.57 4.07 -0.07 -2.08 115.31 119.62 3kdk h LEU 553 Ca -0.01 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.91 3kdk h LEU 553 Cb 0.15 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.89 3kdk h LEU 553 CO 0.02 0.00 -0.53 0.44 -1.08 0.00 0.00 178.44 177.29 3kdk h ASP 554 N 0.00 0.00 0.11 -0.43 3.45 -0.85 -3.33 116.42 115.38 3kdk h ASP 554 Ca 0.08 -0.14 0.00 0.00 0.43 0.00 0.00 57.03 57.41 3kdk h ASP 554 Cb 0.49 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.26 3kdk h ASP 554 CO -0.00 0.85 0.00 -1.20 -1.57 0.00 0.00 179.24 177.32 3kdk n SER 555 N -4.61 0.51 0.00 6.45 7.64 -0.82 -4.84 113.62 117.95 3kdk n SER 555 Ca -0.10 0.72 0.00 0.00 1.01 0.00 0.00 58.87 60.50 3kdk n SER 555 Cb 0.30 -0.79 0.00 0.00 -1.01 0.00 0.00 64.21 62.71 3kdk n SER 555 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3kdk n LYS 556 N -2.17 0.00 -3.99 1.43 5.02 -0.78 -4.47 118.16 113.19 3kdk n LYS 556 Ca -0.01 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.97 3kdk n LYS 556 Cb 0.06 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 34.92 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 4.64 -0.02 4.39 2.47 -1.26 -4.89 114.94 120.28 3kdk s ASN 557 Ca 0.00 -2.01 0.01 0.00 0.42 0.00 0.00 52.86 51.27 3kdk s ASN 557 Cb 0.00 -1.54 0.01 0.00 -1.45 0.00 0.00 41.25 38.28 3kdk s ASN 557 CO 0.00 -0.36 -0.02 -0.51 -3.72 0.00 0.00 177.10 172.49 3kdk s ILE 558 N 1.00 0.24 0.81 -5.21 2.07 -1.26 -5.16 121.20 113.69 3kdk s ILE 558 Ca 0.09 -0.05 -0.09 0.00 -1.41 0.00 0.00 60.65 59.19 3kdk s ILE 558 Cb -0.19 -0.26 0.13 0.00 0.13 0.00 0.00 42.46 42.26 3kdk s ILE 558 CO -0.09 0.11 1.14 1.51 -1.91 0.00 0.00 174.94 175.70 3kdk s ASP 559 N 0.43 4.07 0.11 4.50 -4.77 -1.26 -4.91 116.67 114.85 3kdk s ASP 559 Ca -0.04 0.26 -0.30 0.00 -3.30 0.00 0.00 52.55 49.17 3kdk s ASP 559 Cb -0.07 -0.62 -0.10 0.00 -1.09 0.00 0.00 42.92 41.04 3kdk s ASP 559 CO -0.01 -2.10 1.61 0.40 0.70 0.00 0.00 175.17 175.78 3kdk h ILE 560 N -1.01 0.26 -0.44 2.11 2.04 -1.99 -2.75 117.51 115.73 3kdk h ILE 560 Ca -0.43 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.52 3kdk h ILE 560 Cb 1.28 0.26 -0.09 0.00 -0.74 0.00 0.00 36.82 37.53 3kdk h ILE 560 CO 0.49 0.00 -0.24 0.50 0.00 0.00 0.00 178.15 178.90 3kdk h LYS 561 N -0.62 -0.15 -0.30 2.37 3.11 -1.99 0.33 116.57 119.33 3kdk h LYS 561 Ca 0.02 0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 57.85 3kdk h LYS 561 Cb 0.63 0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 31.88 3kdk h LYS 561 CO -0.17 -0.10 0.13 -0.22 -2.81 0.00 0.00 179.45 176.28 3kdk h LYS 562 N -0.15 0.44 -0.14 1.90 1.63 -1.95 -2.22 116.57 116.07 3kdk h LYS 562 Ca 0.20 -0.07 -0.00 0.00 -0.85 0.00 0.00 60.65 59.93 3kdk h LYS 562 Cb 0.47 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.02 3kdk h LYS 562 CO -0.53 0.44 0.07 1.25 -3.45 0.00 0.00 179.45 177.23 3kdk h LEU 563 N 0.34 0.18 -0.67 5.20 5.85 -1.08 -1.28 115.31 123.86 3kdk h LEU 563 Ca 0.10 -0.10 0.14 0.00 0.84 0.00 0.00 57.88 58.86 3kdk h LEU 563 Cb 0.15 -0.05 -0.12 0.00 0.37 0.00 0.00 40.66 41.02 3kdk h LEU 563 CO -0.01 0.23 -0.03 0.03 -0.34 0.00 0.00 178.44 178.31 3kdk h ARG 564 N 0.11 0.08 0.47 1.25 2.47 -0.25 0.54 114.38 119.05 3kdk h ARG 564 Ca 0.05 -0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.74 3kdk h ARG 564 Cb 0.10 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.40 3kdk h ARG 564 CO -0.01 0.05 -0.22 1.49 0.56 0.00 0.00 179.97 181.84 3kdk h GLU 565 N 0.09 -0.60 -1.01 0.04 4.81 -1.20 -2.68 114.58 114.03 3kdk h GLU 565 Ca 0.35 0.04 0.24 0.00 -0.13 0.00 0.00 59.36 59.86 3kdk h GLU 565 Cb 0.58 0.14 -0.10 0.00 0.63 0.00 0.00 28.75 29.99 3kdk h GLU 565 CO -0.60 -0.31 0.63 0.93 -0.73 0.00 0.00 179.01 178.93 3kdk h GLU 566 N -0.84 0.51 -0.19 1.92 4.39 -0.54 -0.49 114.58 119.34 3kdk h GLU 566 Ca -0.06 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.56 3kdk h GLU 566 Cb 0.57 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 3kdk h GLU 566 CO 0.10 0.34 -0.05 0.00 -1.16 0.00 0.00 179.01 178.24 3kdk h ALA 567 N 1.66 0.26 -0.60 3.43 0.00 -0.84 -2.50 119.26 120.66 3kdk h ALA 567 Ca 0.60 -0.25 0.08 0.00 0.00 0.00 0.00 54.91 55.33 3kdk h ALA 567 Cb 1.28 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.94 3kdk h ALA 567 CO -0.35 0.04 0.27 0.00 0.00 0.00 0.00 179.25 179.21 3kdk h ALA 568 N 0.72 0.79 -0.45 0.00 0.00 -0.76 -2.41 119.26 117.15 3kdk h ALA 568 Ca 0.05 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3kdk h ALA 568 Cb 0.51 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3kdk h ALA 568 CO 0.02 -0.12 0.29 0.82 0.00 0.00 0.00 179.25 180.26 3kdk h ILE 569 N 0.48 1.12 -0.03 0.00 2.04 -1.29 -2.53 117.51 117.31 3kdk h ILE 569 Ca 0.29 -0.21 -0.04 0.00 1.00 0.00 0.00 64.86 65.90 3kdk h ILE 569 Cb 0.30 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 3kdk h ILE 569 CO -0.25 0.11 -0.15 0.24 0.00 0.00 0.00 178.15 178.10 3kdk h MET 570 N 0.60 0.04 0.00 2.37 2.86 -1.01 -2.41 114.93 117.38 3kdk h MET 570 Ca 0.16 -0.01 -0.06 0.00 -2.06 0.00 0.00 59.70 57.73 3kdk h MET 570 Cb -0.07 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 3kdk h MET 570 CO -0.03 0.19 -0.32 0.52 1.06 0.00 0.00 176.91 178.32 3kdk h MET 571 N 0.04 0.00 0.00 1.72 2.86 -1.04 -3.14 114.93 115.36 3kdk h MET 571 Ca 0.01 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.52 3kdk h MET 571 Cb 0.29 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 3kdk h MET 571 CO 0.02 0.30 -0.66 0.66 1.06 0.00 0.00 176.91 178.28 3kdk h SER 572 N 0.00 0.00 -0.49 1.22 4.64 -1.06 -2.85 113.55 115.01 3kdk h SER 572 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3kdk h SER 572 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3kdk h SER 572 CO 0.04 0.60 0.00 0.00 -0.87 0.00 0.00 176.83 176.59 3kdk n LYS 574 N 1.32 5.24 0.00 0.00 3.00 -1.08 -5.11 118.16 121.53 3kdk n LYS 574 Ca 0.20 -4.48 0.00 0.00 -0.00 0.00 0.00 58.31 54.03 3kdk n LYS 574 Cb 0.55 -2.50 0.00 0.00 0.00 0.00 0.00 35.03 33.08 3kdk n LYS 574 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 3kdk n ARG 581 N 0.34 0.00 -3.00 1.64 0.00 -1.26 -5.09 116.66 109.29 3kdk n ARG 581 Ca 0.47 0.00 -0.41 0.00 -0.00 0.00 0.00 57.85 57.91 3kdk n ARG 581 Cb 0.26 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.67 3kdk n ARG 581 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 3kdk s HIS 582 N -0.62 3.25 0.30 -0.14 3.76 -1.26 -4.62 115.29 115.95 3kdk s HIS 582 Ca 0.00 0.86 -0.28 0.00 -0.15 0.00 0.00 55.06 55.48 3kdk s HIS 582 Cb 0.00 -3.06 -0.09 0.00 1.11 0.00 0.00 32.58 30.54 3kdk s HIS 582 CO 0.00 -0.46 1.03 -0.51 -0.85 0.00 0.00 174.74 173.95 3kdk s LEU 583 N 2.77 4.47 0.59 0.89 1.43 -1.26 -5.06 118.68 122.51 3kdk s LEU 583 Ca 0.30 2.09 -0.08 0.00 -1.03 0.00 0.00 54.13 55.41 3kdk s LEU 583 Cb -0.15 -3.78 -0.02 0.00 0.03 0.00 0.00 46.19 42.28 3kdk s LEU 583 CO 0.10 -0.12 0.93 -0.13 0.23 0.00 0.00 176.35 177.37 3kdk s ARG 584 N -1.66 3.27 0.54 1.70 0.52 -1.26 -4.78 118.95 117.28 3kdk s ARG 584 Ca 0.47 0.33 0.21 0.00 -0.52 0.00 0.00 55.73 56.21 3kdk s ARG 584 Cb -0.27 -2.21 1.42 0.00 0.52 0.00 0.00 34.95 34.41 3kdk s ARG 584 CO 0.34 -0.58 2.15 -0.91 0.02 0.00 0.00 175.30 176.32 3kdk h ASN 585 N -0.18 0.00 -0.31 0.23 4.21 -1.97 0.12 115.58 117.68 3kdk h ASN 585 Ca -0.45 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.04 3kdk h ASN 585 Cb 1.22 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.41 3kdk h ASN 585 CO 0.62 0.00 0.13 -2.24 -1.29 0.00 0.00 177.43 174.65 3kdk h ASP 586 N 0.00 0.43 -0.36 5.81 2.03 -1.99 0.12 116.42 122.45 3kdk h ASP 586 Ca 0.04 -0.16 -0.05 0.00 -0.73 0.00 0.00 57.03 56.13 3kdk h ASP 586 Cb 0.17 -0.11 -0.01 0.00 -0.83 0.00 0.00 39.33 38.55 3kdk h ASP 586 CO -0.00 0.47 0.05 -0.33 -1.03 0.00 0.00 179.24 178.40 3kdk h GLU 587 N 0.36 0.60 -0.67 4.15 5.08 -1.45 -1.99 114.58 120.66 3kdk h GLU 587 Ca 0.10 -0.17 0.08 0.00 -1.00 0.00 0.00 59.36 58.38 3kdk h GLU 587 Cb 0.17 -0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.29 3kdk h GLU 587 CO -0.01 0.68 0.32 0.82 -1.00 0.00 0.00 179.01 179.83 3kdk h ILE 588 N 0.44 0.86 0.46 3.13 2.04 -0.75 -0.78 117.51 122.91 3kdk h ILE 588 Ca 0.11 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 3kdk h ILE 588 Cb 0.38 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 36.70 3kdk h ILE 588 CO 0.01 0.10 -0.24 0.50 0.00 0.00 0.00 178.15 178.53 3kdk h LYS 589 N 0.57 -0.62 -1.00 2.37 1.63 -0.52 -0.88 116.57 118.12 3kdk h LYS 589 Ca 0.32 0.04 0.15 0.00 -0.85 0.00 0.00 60.65 60.31 3kdk h LYS 589 Cb 0.32 0.14 -0.09 0.00 -0.60 0.00 0.00 32.23 32.00 3kdk h LYS 589 CO -0.25 -0.41 0.62 0.00 -3.45 0.00 0.00 179.45 175.96 3kdk h ALA 590 N -0.11 1.59 -0.48 5.00 0.00 -1.04 -0.80 119.26 123.43 3kdk h ALA 590 Ca -0.06 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3kdk h ALA 590 Cb 0.50 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3kdk h ALA 590 CO 0.09 0.11 0.18 1.25 0.00 0.00 0.00 179.25 180.88 3kdk h LEU 591 N 0.90 0.68 -0.33 0.00 6.46 -0.77 -2.18 115.31 120.06 3kdk h LEU 591 Ca 0.53 -0.18 -0.00 0.00 -0.12 0.00 0.00 57.88 58.11 3kdk h LEU 591 Cb 0.66 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.40 3kdk h LEU 591 CO -0.31 0.67 0.19 -0.07 -0.62 0.00 0.00 178.44 178.30 3kdk h LEU 592 N 0.64 0.41 -0.69 2.25 3.38 0.22 0.39 115.31 121.91 3kdk h LEU 592 Ca 0.16 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.09 3kdk h LEU 592 Cb 0.22 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 3kdk h LEU 592 CO -0.01 0.36 0.42 0.44 0.09 0.00 0.00 178.44 179.74 3kdk h ASP 593 N 0.42 0.67 -0.43 -0.43 3.32 -1.26 -1.56 116.42 117.15 3kdk h ASP 593 Ca 0.12 0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.07 3kdk h ASP 593 Cb 0.04 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 3kdk h ASP 593 CO -0.02 0.45 -0.16 0.44 -1.72 0.00 0.00 179.24 178.23 3kdk h ASP 594 N 0.80 0.88 -0.85 6.45 3.32 -1.05 -2.77 116.42 123.21 3kdk h ASP 594 Ca 0.29 -0.39 0.01 0.00 0.02 0.00 0.00 57.03 56.96 3kdk h ASP 594 Cb 0.07 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.34 3kdk h ASP 594 CO -0.13 1.07 0.56 0.25 -1.72 0.00 0.00 179.24 179.26 3kdk h LEU 595 N 0.69 0.98 -1.27 1.55 5.85 -0.72 -2.29 115.31 120.09 3kdk h LEU 595 Ca 0.10 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.80 3kdk h LEU 595 Cb 0.71 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.46 3kdk h LEU 595 CO 0.05 0.72 0.49 0.03 -0.34 0.00 0.00 178.44 179.39 3kdk h ARG 596 N 1.15 0.97 0.00 1.25 3.08 -1.06 -2.91 114.38 116.86 3kdk h ARG 596 Ca 0.31 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.30 3kdk h ARG 596 Cb -0.12 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 29.71 3kdk h ARG 596 CO -0.07 0.64 0.00 0.43 -1.07 0.00 0.00 179.97 179.91 3kdk n SER 597 N -4.43 0.00 -4.69 7.04 7.64 -0.87 -4.80 113.62 113.52 3kdk n SER 597 Ca 0.08 -0.14 -0.28 0.00 1.01 0.00 0.00 58.87 59.54 3kdk n SER 597 Cb 0.04 -0.28 0.11 0.00 -1.01 0.00 0.00 64.21 63.07 3kdk n SER 597 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3kdk s THR 598 N -2.55 2.08 0.18 0.44 -4.23 -1.10 -5.00 115.64 105.47 3kdk s THR 598 Ca 0.27 -0.12 -0.00 0.00 -1.18 0.00 0.00 61.69 60.67 3kdk s THR 598 Cb 0.19 -2.97 -0.11 0.00 1.34 0.00 0.00 72.50 70.95 3kdk s THR 598 CO 0.43 0.00 1.43 0.77 -0.54 0.00 0.00 174.62 176.71 3kdk h SER 599 N -1.05 0.42 -2.28 3.99 4.64 -1.89 -3.41 113.55 113.97 3kdk h SER 599 Ca -0.44 -0.29 -0.55 0.00 -0.47 0.00 0.00 61.79 60.04 3kdk h SER 599 Cb 1.30 -0.13 -0.36 0.00 -0.31 0.00 0.00 62.40 62.90 3kdk h SER 599 CO 0.55 1.03 -0.92 -0.62 -0.87 0.00 0.00 176.83 175.99 3kdk s ASP 600 N -6.96 1.36 0.25 4.97 2.15 -1.26 -4.99 116.67 112.19 3kdk s ASP 600 Ca -0.05 -2.84 0.19 0.00 0.43 0.00 0.00 52.55 50.28 3kdk s ASP 600 Cb 0.10 -0.24 0.96 0.00 -0.30 0.00 0.00 42.92 43.44 3kdk s ASP 600 CO 0.83 -0.18 1.59 -2.65 -0.17 0.00 0.00 175.17 174.60 3kdk n PRO 601 N 3.01 0.13 0.04 4.34 -0.02 -1.26 -2.68 135.00 138.56 3kdk n PRO 601 Ca 0.27 0.54 0.11 0.00 -2.02 0.00 0.00 63.50 62.40 3kdk n PRO 601 Cb 0.47 -1.86 -0.06 0.00 -0.02 0.00 0.00 33.50 32.04 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 -2.13 0.40 -3.99 6.00 3.01 -1.26 -4.43 117.46 115.07 3kdk n PHE 602 Ca 0.00 0.12 -0.15 0.00 1.01 0.00 0.00 57.45 58.42 3kdk n PHE 602 Cb 0.10 -0.62 -0.15 0.00 -0.01 0.00 0.00 39.48 38.80 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 -3.36 0.20 0.67 4.37 2.01 -1.09 0.20 115.64 118.64 3kdk s THR 603 Ca -0.02 -0.04 -0.09 0.00 0.31 0.00 0.00 61.69 61.86 3kdk s THR 603 Cb 0.13 -0.22 0.02 0.00 0.01 0.00 0.00 72.50 72.43 3kdk s THR 603 CO 0.84 0.10 1.02 0.00 -0.69 0.00 0.00 174.62 175.89 3kdk n PRO 605 N -2.86 0.06 0.00 0.00 -0.02 -1.26 -0.21 135.00 130.71 3kdk n PRO 605 Ca 0.06 0.56 0.12 0.00 -2.02 0.00 0.00 63.50 62.22 3kdk n PRO 605 Cb 0.58 -1.70 0.17 0.00 -0.02 0.00 0.00 33.50 32.53 3kdk n PRO 605 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3kdk n HIS 606 N -1.84 0.00 -0.03 6.00 8.25 -1.26 -4.97 115.22 121.38 3kdk n HIS 606 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 3kdk n HIS 606 Cb 0.02 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.10 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 1.36 0.35 3.83 -1.41 0.00 0.71 -5.08 105.19 104.95 3kdk n GLY 607 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.95 4.17 0.30 1.61 0.52 -1.26 -4.77 118.95 118.57 3kdk s ARG 608 Ca 0.00 0.84 -0.29 0.00 -0.52 0.00 0.00 55.73 55.76 3kdk s ARG 608 Cb 0.00 -2.62 -0.11 0.00 0.52 0.00 0.00 34.95 32.75 3kdk s ARG 608 CO 0.00 0.25 1.45 -2.14 0.02 0.00 0.00 175.30 174.88 3kdk s PRO 609 N -2.52 4.23 -0.20 3.54 0.02 -1.26 -0.65 135.00 138.15 3kdk s PRO 609 Ca 0.50 2.39 0.09 0.00 0.02 0.00 0.00 61.00 64.00 3kdk s PRO 609 Cb -0.13 -3.06 -0.22 0.00 0.02 0.00 0.00 34.50 31.11 3kdk s PRO 609 CO 0.19 -0.44 0.03 -0.89 -0.33 0.00 0.00 177.00 175.56 3kdk n ILE 610 N 1.68 1.48 -4.69 2.83 5.41 0.13 -4.79 119.36 121.41 3kdk n ILE 610 Ca 0.05 -0.72 -0.26 0.00 1.00 0.00 0.00 62.75 62.82 3kdk n ILE 610 Cb 0.40 -1.00 -0.17 0.00 -0.71 0.00 0.00 39.64 38.16 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 -2.52 1.27 -0.21 1.39 1.01 -1.24 -1.78 121.20 119.13 3kdk s ILE 611 Ca -0.21 -0.57 -0.04 0.00 0.00 0.00 0.00 60.65 59.84 3kdk s ILE 611 Cb 0.07 -1.14 -0.01 0.00 0.01 0.00 0.00 42.46 41.39 3kdk s ILE 611 CO 0.73 0.38 -0.04 -0.63 0.00 0.00 0.00 174.94 175.38 3kdk s ILE 612 N 0.53 3.42 -0.17 2.92 -1.09 0.11 -4.97 121.20 121.96 3kdk s ILE 612 Ca -0.14 -0.48 -0.02 0.00 -2.23 0.00 0.00 60.65 57.79 3kdk s ILE 612 Cb -0.15 -2.55 -0.01 0.00 -1.58 0.00 0.00 42.46 38.16 3kdk s ILE 612 CO 0.04 0.43 -0.09 -2.28 -1.23 0.00 0.00 174.94 171.81 3kdk s HIS 613 N 1.37 2.89 -0.36 3.97 5.65 -1.26 0.37 115.29 127.93 3kdk s HIS 613 Ca 0.04 -0.73 -0.07 0.00 0.25 0.00 0.00 55.06 54.56 3kdk s HIS 613 Cb -0.14 -1.95 0.05 0.00 -1.18 0.00 0.00 32.58 29.35 3kdk s HIS 613 CO -0.02 -0.32 0.14 -1.01 -0.65 0.00 0.00 174.74 172.88 3kdk s HIS 614 N 0.77 3.28 0.76 3.88 3.76 0.77 -4.99 115.29 123.53 3kdk s HIS 614 Ca -0.04 -1.46 -0.12 0.00 -0.15 0.00 0.00 55.06 53.30 3kdk s HIS 614 Cb -0.15 -2.44 0.06 0.00 1.11 0.00 0.00 32.58 31.15 3kdk s HIS 614 CO 0.01 -0.75 1.11 -1.54 -0.85 0.00 0.00 174.74 172.72 3kdk s SER 615 N 1.55 4.37 0.38 1.40 1.04 -1.26 0.04 113.70 121.22 3kdk s SER 615 Ca -0.00 1.96 0.06 0.00 0.48 0.00 0.00 55.95 58.46 3kdk s SER 615 Cb -0.20 -2.54 0.78 0.00 0.10 0.00 0.00 66.02 64.16 3kdk s SER 615 CO 0.03 -2.13 2.00 0.71 0.98 0.00 0.00 173.24 174.83 3kdk h THR 616 N -0.90 1.06 -0.30 2.02 1.35 -1.38 0.22 112.91 114.98 3kdk h THR 616 Ca -0.45 -0.24 -0.12 0.00 -0.55 0.00 0.00 66.41 65.06 3kdk h THR 616 Cb 1.25 0.31 -0.01 0.00 -1.73 0.00 0.00 68.15 67.97 3kdk h THR 616 CO 0.50 0.13 -0.27 0.22 -0.25 0.00 0.00 175.52 175.85 3kdk h TYR 617 N 0.69 0.84 -0.28 4.73 3.20 -1.91 -1.50 116.97 122.75 3kdk h TYR 617 Ca 0.25 -0.25 -0.08 0.00 3.14 0.00 0.00 58.73 61.80 3kdk h TYR 617 Cb 0.13 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.21 3kdk h TYR 617 CO -0.00 0.99 -0.15 0.93 -1.64 0.00 0.00 178.16 178.28 3kdk h GLU 618 N 0.45 0.48 -0.30 1.82 5.08 -1.68 -0.52 114.58 119.90 3kdk h GLU 618 Ca 0.05 -0.15 -0.17 0.00 -1.00 0.00 0.00 59.36 58.09 3kdk h GLU 618 Cb 0.83 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.03 3kdk h GLU 618 CO 0.07 0.62 -0.49 0.52 -1.00 0.00 0.00 179.01 178.73 3kdk h MET 619 N 0.44 0.87 -0.30 2.33 2.86 -0.91 -0.46 114.93 119.77 3kdk h MET 619 Ca 0.08 -0.53 -0.04 0.00 -2.06 0.00 0.00 59.70 57.15 3kdk h MET 619 Cb 0.53 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.22 3kdk h MET 619 CO 0.03 1.17 0.02 0.93 1.06 0.00 0.00 176.91 180.12 3kdk h GLU 620 N 0.66 0.44 -0.18 1.72 5.08 -0.99 -1.47 114.58 119.84 3kdk h GLU 620 Ca 0.03 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 3kdk h GLU 620 Cb 1.10 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 3kdk h GLU 620 CO 0.11 0.45 -0.02 -0.22 -1.00 0.00 0.00 179.01 178.33 3kdk h LYS 621 N 0.43 0.34 -0.82 2.33 3.64 -0.88 -0.30 116.57 121.31 3kdk h LYS 621 Ca 0.10 -0.12 0.06 0.00 -1.27 0.00 0.00 60.65 59.42 3kdk h LYS 621 Cb 0.25 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 31.99 3kdk h LYS 621 CO 0.00 0.58 0.54 0.52 -2.27 0.00 0.00 179.45 178.82 3kdk h MET 622 N 0.06 0.88 -0.20 1.90 2.86 -0.52 0.78 114.93 120.70 3kdk h MET 622 Ca 0.05 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3kdk h MET 622 Cb 0.44 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 31.90 3kdk h MET 622 CO 0.01 0.58 0.00 1.19 1.06 0.00 0.00 176.91 179.76 3kdk n PHE 623 N -4.48 0.25 -0.39 -0.22 3.72 -0.61 -5.10 117.46 110.62 3kdk n PHE 623 Ca 0.12 -0.12 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3kdk n PHE 623 Cb 0.20 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.74 3kdk n PHE 623 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34