#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kdg s ASP 434 N 0.00 6.60 0.11 6.12 1.01 -1.26 -4.97 116.67 124.28 3kdg s ASP 434 Ca 0.00 2.71 -0.30 0.00 0.71 0.00 0.00 52.55 55.66 3kdg s ASP 434 Cb 0.00 -2.62 -0.07 0.00 1.01 0.00 0.00 42.92 41.24 3kdg s ASP 434 CO 0.00 -0.74 1.20 -0.60 0.21 0.00 0.00 175.17 175.24 3kdg s ARG 435 N -0.28 4.46 0.28 8.23 3.52 -1.26 -4.98 118.95 128.91 3kdg s ARG 435 Ca 0.61 1.82 -0.30 0.00 -0.13 0.00 0.00 55.73 57.72 3kdg s ARG 435 Cb -0.43 -3.30 -0.13 0.00 -1.56 0.00 0.00 34.95 29.53 3kdg s ARG 435 CO 0.43 -0.18 1.38 0.28 -0.81 0.00 0.00 175.30 176.40 3kdg n VAL 436 N 3.34 1.31 -1.55 7.11 0.31 -1.26 -4.98 118.33 122.61 3kdg n VAL 436 Ca 0.07 -0.33 -0.30 0.00 -0.01 0.00 0.00 64.34 63.77 3kdg n VAL 436 Cb 0.46 -1.54 0.08 0.00 -0.91 0.00 0.00 33.84 31.92 3kdg n VAL 436 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 3kdg s PRO 437 N -0.90 2.32 0.14 5.55 0.02 -1.26 -4.93 135.00 135.94 3kdg s PRO 437 Ca 0.64 0.74 -0.34 0.00 0.02 0.00 0.00 61.00 62.05 3kdg s PRO 437 Cb -0.61 -1.94 -0.16 0.00 0.02 0.00 0.00 34.50 31.81 3kdg s PRO 437 CO 0.54 -1.48 1.28 -0.89 -0.33 0.00 0.00 177.00 176.12 3kdg n ILE 438 N -3.35 0.45 -4.66 2.83 5.41 -1.26 -4.98 119.36 113.80 3kdg n ILE 438 Ca 0.07 -0.11 -0.32 0.00 1.00 0.00 0.00 62.75 63.39 3kdg n ILE 438 Cb 0.55 -0.91 -0.12 0.00 -0.71 0.00 0.00 39.64 38.46 3kdg n ILE 438 CO 0.00 0.00 0.00 -0.04 0.00 0.00 0.00 176.55 176.51 3kdg s MET 439 N 0.08 2.46 -0.11 0.38 -1.94 -1.26 -4.69 119.30 114.22 3kdg s MET 439 Ca 0.78 -0.75 0.01 0.00 -1.71 0.00 0.00 55.69 54.02 3kdg s MET 439 Cb -0.88 -2.41 -0.02 0.00 2.01 0.00 0.00 34.83 33.54 3kdg s MET 439 CO 0.49 0.60 -0.13 0.71 -0.01 0.00 0.00 175.02 176.68 3kdg s TYR 440 N -0.88 2.78 0.35 -0.03 2.02 -0.44 -4.86 117.35 116.29 3kdg s TYR 440 Ca 0.14 -0.50 -0.29 0.00 -0.37 0.00 0.00 57.07 56.06 3kdg s TYR 440 Cb -0.11 -1.78 -0.11 0.00 -0.40 0.00 0.00 41.96 39.57 3kdg s TYR 440 CO 0.04 -0.09 1.45 -1.25 -1.57 0.00 0.00 175.55 174.13 3kdg s PRO 441 N 0.02 4.18 -0.21 -1.71 0.04 -1.26 -0.94 135.00 135.11 3kdg s PRO 441 Ca -0.04 2.47 -0.16 0.00 0.04 0.00 0.00 61.00 63.31 3kdg s PRO 441 Cb -0.14 -3.01 -0.08 0.00 0.04 0.00 0.00 34.50 31.31 3kdg s PRO 441 CO 0.04 -0.46 -0.30 -0.89 0.04 0.00 0.00 177.00 175.43 3kdg n ILE 442 N 0.82 1.50 -2.50 0.56 5.41 0.72 -4.83 119.36 121.03 3kdg n ILE 442 Ca 0.02 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.75 3kdg n ILE 442 Cb 0.40 -2.20 0.00 0.00 -0.71 0.00 0.00 39.64 37.13 3kdg n ILE 442 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3kdg n GLY 443 N 1.41 0.86 3.28 7.39 0.00 -0.98 -5.02 105.19 112.12 3kdg n GLY 443 Ca -0.27 -0.43 -0.14 0.00 0.00 0.00 0.00 46.02 45.19 3kdg n GLY 443 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3kdg s GLN 444 N 1.48 1.41 -0.09 1.61 1.03 -1.26 -0.96 119.66 122.88 3kdg s GLN 444 Ca 0.00 -1.69 -0.07 0.00 0.04 0.00 0.00 55.36 53.64 3kdg s GLN 444 Cb 0.00 0.31 0.03 0.00 0.03 0.00 0.00 33.01 33.38 3kdg s GLN 444 CO 0.00 -0.50 0.23 0.00 -2.54 0.00 0.00 175.29 172.48 3kdg s MET 445 N -3.91 0.25 -1.45 9.60 0.23 -0.26 -4.93 119.30 118.83 3kdg s MET 445 Ca 0.37 0.36 0.00 0.00 -1.03 0.00 0.00 55.69 55.39 3kdg s MET 445 Cb 0.05 0.07 0.00 0.00 -1.53 0.00 0.00 34.83 33.42 3kdg s MET 445 CO 0.16 -0.06 0.00 0.72 -2.03 0.00 0.00 175.02 173.81 3kdg n HIS 446 N 3.25 0.00 -1.81 3.16 8.25 -1.26 -1.42 115.22 125.38 3kdg n HIS 446 Ca -0.16 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.11 3kdg n HIS 446 Cb 0.57 -2.76 -0.06 0.00 1.12 0.00 0.00 29.99 28.86 3kdg n HIS 446 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kdg n GLY 447 N -0.42 1.21 0.72 -1.41 0.00 -1.26 -4.79 105.19 99.24 3kdg n GLY 447 Ca -0.14 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.82 3kdg n GLY 447 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3kdg n THR 448 N -2.90 0.00 -5.02 2.61 -1.04 -0.51 -4.41 114.28 103.01 3kdg n THR 448 Ca -0.21 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.49 3kdg n THR 448 Cb 0.66 -0.60 -0.15 0.00 -1.82 0.00 0.00 70.33 68.42 3kdg n THR 448 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 3kdg s TYR 449 N -1.73 2.40 -0.11 -1.42 2.02 -0.75 -1.64 117.35 116.12 3kdg s TYR 449 Ca 0.00 -0.38 -0.04 0.00 -0.37 0.00 0.00 57.07 56.28 3kdg s TYR 449 Cb 0.00 -1.47 -0.04 0.00 -0.40 0.00 0.00 41.96 40.06 3kdg s TYR 449 CO 0.00 0.09 0.06 0.42 -1.57 0.00 0.00 175.55 174.55 3kdg s ILE 450 N -0.74 4.79 -0.19 2.71 1.01 0.96 -1.10 121.20 128.64 3kdg s ILE 450 Ca 0.11 -0.06 -0.04 0.00 0.00 0.00 0.00 60.65 60.67 3kdg s ILE 450 Cb -0.10 -3.06 -0.02 0.00 0.01 0.00 0.00 42.46 39.29 3kdg s ILE 450 CO 0.01 0.60 -0.04 -0.76 0.00 0.00 0.00 174.94 174.75 3kdg s LEU 451 N -0.81 3.04 0.14 2.97 2.01 -0.13 -0.87 118.68 125.02 3kdg s LEU 451 Ca 0.13 -0.28 -0.00 0.00 0.01 0.00 0.00 54.13 53.99 3kdg s LEU 451 Cb -0.12 -1.75 -0.04 0.00 0.01 0.00 0.00 46.19 44.29 3kdg s LEU 451 CO 0.03 0.07 0.04 0.00 1.01 0.00 0.00 176.35 177.49 3kdg s ALA 452 N 0.96 0.98 0.03 4.21 0.00 -0.10 -0.20 121.76 127.63 3kdg s ALA 452 Ca 0.00 -1.49 -0.12 0.00 0.00 0.00 0.00 51.96 50.34 3kdg s ALA 452 Cb -0.15 0.76 0.01 0.00 0.00 0.00 0.00 23.12 23.75 3kdg s ALA 452 CO 0.01 -0.44 0.26 1.14 0.00 0.00 0.00 175.76 176.73 3kdg s GLN 453 N -4.01 0.74 0.00 0.00 1.03 -0.12 -0.06 119.66 117.24 3kdg s GLN 453 Ca 0.23 -0.50 0.00 0.00 0.04 0.00 0.00 55.36 55.13 3kdg s GLN 453 Cb 0.07 0.32 0.00 0.00 0.03 0.00 0.00 33.01 33.43 3kdg s GLN 453 CO 0.02 -0.22 0.00 0.27 -2.54 0.00 0.00 175.29 172.82 3kdg n ASN 454 N 0.74 0.00 0.19 12.60 0.23 -0.88 -1.32 115.26 126.81 3kdg n ASN 454 Ca -0.19 -0.48 0.15 0.00 -0.53 0.00 0.00 54.58 53.54 3kdg n ASN 454 Cb 0.59 0.00 0.77 0.00 -2.08 0.00 0.00 39.78 39.06 3kdg n ASN 454 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 3kdg h GLU 455 N 0.00 0.00 0.00 -3.83 4.11 -2.00 -1.87 114.58 110.98 3kdg h GLU 455 Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.37 3kdg h GLU 455 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3kdg h GLU 455 CO 0.00 0.00 -0.29 -0.91 0.07 0.00 0.00 179.01 177.88 3kdg h ASN 456 N 0.00 0.00 0.00 3.06 2.35 -1.97 -3.45 115.58 115.57 3kdg h ASN 456 Ca 0.09 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 3kdg h ASN 456 Cb 0.41 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.78 3kdg h ASN 456 CO -0.00 0.29 0.00 0.61 -1.65 0.00 0.00 177.43 176.68 3kdg n GLY 457 N 0.76 0.75 3.82 2.83 0.00 -0.71 -1.03 105.19 111.61 3kdg n GLY 457 Ca 0.02 -1.61 -0.36 0.00 0.00 0.00 0.00 46.02 44.06 3kdg n GLY 457 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kdg s LEU 458 N 0.00 4.20 -0.12 0.99 2.96 0.04 -2.08 118.68 124.67 3kdg s LEU 458 Ca 0.00 0.37 0.03 0.00 -0.22 0.00 0.00 54.13 54.31 3kdg s LEU 458 Cb 0.00 -2.02 0.01 0.00 0.50 0.00 0.00 46.19 44.68 3kdg s LEU 458 CO 0.00 0.37 -0.21 -0.31 -1.32 0.00 0.00 176.35 174.88 3kdg s TYR 459 N -0.82 2.51 -0.20 5.38 1.51 0.91 -1.30 117.35 125.33 3kdg s TYR 459 Ca 0.14 -1.19 -0.03 0.00 -1.01 0.00 0.00 57.07 54.97 3kdg s TYR 459 Cb -0.12 -1.71 -0.01 0.00 -0.11 0.00 0.00 41.96 40.01 3kdg s TYR 459 CO 0.03 -0.53 -0.06 0.42 -1.11 0.00 0.00 175.55 174.30 3kdg s ILE 460 N 0.71 3.34 -0.09 2.71 1.01 0.59 -0.93 121.20 128.54 3kdg s ILE 460 Ca -0.10 -0.51 0.02 0.00 0.00 0.00 0.00 60.65 60.06 3kdg s ILE 460 Cb -0.16 -2.50 0.01 0.00 0.01 0.00 0.00 42.46 39.82 3kdg s ILE 460 CO 0.01 0.44 -0.16 -0.63 0.00 0.00 0.00 174.94 174.61 3kdg s ILE 461 N 1.23 1.50 -0.49 2.92 1.01 -0.05 -0.22 121.20 127.11 3kdg s ILE 461 Ca 0.03 -0.67 -0.28 0.00 0.00 0.00 0.00 60.65 59.72 3kdg s ILE 461 Cb -0.14 -1.35 0.01 0.00 0.01 0.00 0.00 42.46 40.99 3kdg s ILE 461 CO -0.02 0.44 1.38 -0.62 0.00 0.00 0.00 174.94 176.12 3kdg s ASP 462 N 0.73 6.28 0.33 3.58 -1.08 -0.57 -0.03 116.67 125.91 3kdg s ASP 462 Ca -0.12 0.55 0.07 0.00 -0.52 0.00 0.00 52.55 52.53 3kdg s ASP 462 Cb -0.16 -2.54 0.57 0.00 -1.46 0.00 0.00 42.92 39.32 3kdg s ASP 462 CO 0.03 -1.53 1.78 0.06 0.52 0.00 0.00 175.17 176.03 3kdg h GLN 463 N 10.69 0.27 -0.18 4.34 3.07 -1.64 -1.23 115.11 130.42 3kdg h GLN 463 Ca -0.27 -0.10 -0.05 0.00 0.09 0.00 0.00 58.65 58.33 3kdg h GLN 463 Cb 1.09 -0.02 -0.00 0.00 0.08 0.00 0.00 27.48 28.63 3kdg h GLN 463 CO 1.13 0.54 -0.08 1.25 0.09 0.00 0.00 178.83 181.76 3kdg h HIS 464 N 0.24 0.44 -0.82 0.06 2.76 -1.91 -1.56 115.15 114.36 3kdg h HIS 464 Ca 0.04 -0.11 0.06 0.00 -2.20 0.00 0.00 60.37 58.16 3kdg h HIS 464 Cb 0.63 -0.10 -0.06 0.00 1.55 0.00 0.00 27.41 29.43 3kdg h HIS 464 CO 0.01 0.67 0.50 0.00 -1.30 0.00 0.00 177.93 177.82 3kdg h ALA 465 N 0.70 1.13 -0.35 5.26 0.00 -1.85 -1.62 119.26 122.53 3kdg h ALA 465 Ca 0.04 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.98 3kdg h ALA 465 Cb 0.55 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3kdg h ALA 465 CO 0.03 0.23 0.15 0.00 0.00 0.00 0.00 179.25 179.66 3kdg h ALA 466 N 1.39 0.42 -0.31 0.00 0.00 -1.11 -1.58 119.26 118.07 3kdg h ALA 466 Ca 0.36 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.23 3kdg h ALA 466 Cb 0.18 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3kdg h ALA 466 CO -0.18 -0.23 -0.05 1.96 0.00 0.00 0.00 179.25 180.76 3kdg h GLN 467 N 0.33 0.50 -0.36 0.00 4.20 -0.92 -0.92 115.11 117.94 3kdg h GLN 467 Ca 0.15 -0.12 -0.08 0.00 0.06 0.00 0.00 58.65 58.65 3kdg h GLN 467 Cb 0.08 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 3kdg h GLN 467 CO -0.12 0.57 -0.11 0.93 -0.67 0.00 0.00 178.83 179.43 3kdg h GLU 468 N 0.48 0.70 -0.16 1.46 5.08 -0.95 -0.56 114.58 120.62 3kdg h GLU 468 Ca 0.10 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 3kdg h GLU 468 Cb 0.39 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 3kdg h GLU 468 CO 0.02 0.87 0.10 -0.09 -1.00 0.00 0.00 179.01 178.91 3kdg h ARG 469 N 0.49 0.21 -0.11 2.33 9.65 -0.87 -0.61 114.38 125.48 3kdg h ARG 469 Ca 0.09 -0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 58.95 3kdg h ARG 469 Cb 0.62 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.15 3kdg h ARG 469 CO 0.04 0.17 0.06 0.82 2.80 0.00 0.00 179.97 183.86 3kdg h ILE 470 N 0.20 1.10 -0.46 1.20 2.04 -1.12 -2.83 117.51 117.64 3kdg h ILE 470 Ca 0.06 -0.27 -0.03 0.00 1.00 0.00 0.00 64.86 65.62 3kdg h ILE 470 Cb 0.01 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 3kdg h ILE 470 CO -0.01 0.09 0.17 0.11 0.00 0.00 0.00 178.15 178.50 3kdg h LYS 471 N 0.08 0.70 0.02 2.37 1.57 -1.05 -2.43 116.57 117.83 3kdg h LYS 471 Ca 0.04 -0.14 0.01 0.00 -1.87 0.00 0.00 60.65 58.69 3kdg h LYS 471 Cb 0.09 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 3kdg h LYS 471 CO -0.01 0.65 -0.06 -0.92 -0.57 0.00 0.00 179.45 178.54 3kdg h TYR 472 N 0.60 -0.15 -0.06 -1.35 3.20 -1.07 -2.06 116.97 116.08 3kdg h TYR 472 Ca 0.15 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.97 3kdg h TYR 472 Cb 0.22 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 3kdg h TYR 472 CO 0.01 -0.09 -0.23 0.93 -1.64 0.00 0.00 178.16 177.13 3kdg h GLU 473 N -0.12 0.10 0.52 1.82 5.08 -1.48 0.28 114.58 120.79 3kdg h GLU 473 Ca 0.02 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 3kdg h GLU 473 Cb 0.13 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.38 3kdg h GLU 473 CO -0.04 0.33 -0.25 -0.92 -1.00 0.00 0.00 179.01 177.12 3kdg h TYR 474 N 0.10 -0.65 -0.12 4.33 3.20 -1.06 -1.36 116.97 121.41 3kdg h TYR 474 Ca 0.02 -0.02 -0.16 0.00 3.14 0.00 0.00 58.73 61.71 3kdg h TYR 474 Cb 0.46 0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.94 3kdg h TYR 474 CO 0.00 -0.40 -0.62 0.74 -1.64 0.00 0.00 178.16 176.24 3kdg h PHE 475 N -0.70 0.54 -0.68 -3.82 0.04 -1.01 -1.62 116.94 109.68 3kdg h PHE 475 Ca -0.07 -0.21 -0.04 0.00 2.80 0.00 0.00 57.97 60.45 3kdg h PHE 475 Cb 0.54 -0.10 -0.03 0.00 2.20 0.00 0.00 35.95 38.56 3kdg h PHE 475 CO -0.04 0.93 0.28 -0.09 -0.60 0.00 0.00 178.31 178.79 3kdg h ARG 476 N 0.31 1.01 -0.13 1.51 9.65 -0.47 -1.00 114.38 125.27 3kdg h ARG 476 Ca -0.01 -0.18 -0.01 0.00 -1.10 0.00 0.00 59.98 58.69 3kdg h ARG 476 Cb 1.16 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 29.56 3kdg h ARG 476 CO 0.11 0.83 0.05 1.49 2.80 0.00 0.00 179.97 185.26 3kdg h GLU 477 N 0.96 0.19 -0.20 0.20 4.81 -1.12 -2.99 114.58 116.43 3kdg h GLU 477 Ca 0.23 -0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.48 3kdg h GLU 477 Cb 0.19 -0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.47 3kdg h GLU 477 CO -0.02 0.28 -0.27 0.87 -0.73 0.00 0.00 179.01 179.14 3kdg h LYS 478 N 0.06 -0.29 0.00 1.92 1.79 -0.95 -1.53 116.57 117.57 3kdg h LYS 478 Ca 0.04 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 3kdg h LYS 478 Cb 0.16 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.88 3kdg h LYS 478 CO -0.00 -0.19 0.00 -0.39 -1.08 0.00 0.00 179.45 177.78 3kdg h VAL 479 N -0.30 0.00 0.00 0.50 -1.51 -1.21 -1.16 116.25 112.57 3kdg h VAL 479 Ca 0.12 -0.19 0.00 0.00 -1.23 0.00 0.00 66.70 65.40 3kdg h VAL 479 Cb 0.49 1.01 0.00 0.00 -2.13 0.00 0.00 31.29 30.66 3kdg h VAL 479 CO -0.37 0.00 -0.11 1.23 -1.23 0.00 0.00 177.57 177.09 3kdg h GLY 480 N 1.06 0.00 -2.98 5.19 0.00 -1.12 -3.42 103.07 101.79 3kdg h GLY 480 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.81 3kdg h GLY 480 CO 0.00 0.00 0.53 -0.54 0.00 0.00 0.00 176.54 176.53 3kdg s GLU 481 N -3.17 3.82 0.02 4.80 2.02 -0.44 -4.97 118.70 120.78 3kdg s GLU 481 Ca 0.08 1.92 -0.18 0.00 0.02 0.00 0.00 54.97 56.81 3kdg s GLU 481 Cb 0.09 -2.54 -0.26 0.00 0.10 0.00 0.00 34.13 31.53 3kdg s GLU 481 CO 0.65 -0.54 1.09 -0.39 0.02 0.00 0.00 175.26 176.08 3kdg h VAL 482 N 2.07 1.38 -2.56 2.63 -1.51 -1.91 -3.41 116.25 112.94 3kdg h VAL 482 Ca -0.49 -2.26 -0.60 0.00 -1.23 0.00 0.00 66.70 62.12 3kdg h VAL 482 Cb 1.25 2.67 -0.39 0.00 -2.13 0.00 0.00 31.29 32.68 3kdg h VAL 482 CO 0.61 0.67 -0.87 -1.61 -1.23 0.00 0.00 177.57 175.14 3kdg s GLU 483 N -3.07 1.15 0.78 5.19 2.02 -1.26 -5.09 118.70 118.42 3kdg s GLU 483 Ca -0.12 -2.21 -0.12 0.00 0.02 0.00 0.00 54.97 52.54 3kdg s GLU 483 Cb 0.04 -1.81 0.06 0.00 0.10 0.00 0.00 34.13 32.52 3kdg s GLU 483 CO 0.87 -1.33 1.12 -1.25 0.02 0.00 0.00 175.26 174.69 3kdg s PRO 484 N -0.04 2.04 -0.01 0.39 0.04 -1.26 -4.97 135.00 131.18 3kdg s PRO 484 Ca 0.28 1.39 -0.30 0.00 0.04 0.00 0.00 61.00 62.41 3kdg s PRO 484 Cb -0.03 -1.86 -0.05 0.00 0.04 0.00 0.00 34.50 32.60 3kdg s PRO 484 CO -0.15 -1.83 1.31 -1.21 0.04 0.00 0.00 177.00 175.16 3kdg s GLU 485 N -4.54 4.32 -0.07 4.56 2.02 -1.26 -4.98 118.70 118.75 3kdg s GLU 485 Ca 0.65 1.85 -0.05 0.00 0.02 0.00 0.00 54.97 57.44 3kdg s GLU 485 Cb -0.21 -3.55 -0.04 0.00 0.10 0.00 0.00 34.13 30.44 3kdg s GLU 485 CO 0.52 -0.51 0.15 0.08 0.02 0.00 0.00 175.26 175.53 3kdg s VAL 486 N 2.22 5.40 -0.27 2.63 1.01 -1.26 -0.32 120.40 129.81 3kdg s VAL 486 Ca 0.60 0.01 -0.03 0.00 0.00 0.00 0.00 61.98 62.56 3kdg s VAL 486 Cb -0.29 -3.43 0.03 0.00 0.00 0.00 0.00 36.38 32.69 3kdg s VAL 486 CO 0.25 0.48 -0.02 -1.10 0.00 0.00 0.00 175.10 174.71 3kdg s GLN 487 N -1.45 2.82 0.47 2.72 -0.21 0.42 -4.79 119.66 119.65 3kdg s GLN 487 Ca 0.21 -1.00 -0.24 0.00 0.02 0.00 0.00 55.36 54.35 3kdg s GLN 487 Cb -0.12 -3.09 -0.07 0.00 1.00 0.00 0.00 33.01 30.72 3kdg s GLN 487 CO 0.11 -0.44 1.35 -1.21 -2.12 0.00 0.00 175.29 172.98 3kdg s GLU 488 N 1.35 3.60 0.08 2.91 8.01 -1.26 -1.70 118.70 131.69 3kdg s GLU 488 Ca -0.00 2.24 -0.13 0.00 0.01 0.00 0.00 54.97 57.09 3kdg s GLU 488 Cb -0.17 -2.54 -0.06 0.00 -4.31 0.00 0.00 34.13 27.05 3kdg s GLU 488 CO -0.03 -0.82 0.45 -1.64 0.01 0.00 0.00 175.26 173.24 3kdg s MET 489 N -2.56 3.89 0.13 1.61 -1.94 0.69 -4.94 119.30 116.18 3kdg s MET 489 Ca 0.63 0.36 -0.21 0.00 -1.71 0.00 0.00 55.69 54.76 3kdg s MET 489 Cb -0.40 -3.05 -0.01 0.00 2.01 0.00 0.00 34.83 33.38 3kdg s MET 489 CO 0.50 0.57 1.68 0.82 -0.01 0.00 0.00 175.02 178.59 3kdg h ILE 490 N 3.09 0.68 -3.24 2.53 1.08 -1.95 -3.39 117.51 116.31 3kdg h ILE 490 Ca -0.50 0.00 -0.67 0.00 -0.39 0.00 0.00 64.86 63.30 3kdg h ILE 490 Cb 1.20 0.68 -0.32 0.00 -3.07 0.00 0.00 36.82 35.31 3kdg h ILE 490 CO 0.65 0.00 -0.83 -0.69 -0.69 0.00 0.00 178.15 176.58 3kdg s VAL 491 N -6.18 2.38 0.44 1.67 1.01 -1.26 -5.12 120.40 113.35 3kdg s VAL 491 Ca -0.14 -0.87 -0.24 0.00 0.00 0.00 0.00 61.98 60.74 3kdg s VAL 491 Cb 0.11 -1.98 -0.08 0.00 0.00 0.00 0.00 36.38 34.43 3kdg s VAL 491 CO 0.68 0.53 1.18 -2.16 0.00 0.00 0.00 175.10 175.33 3kdg s PRO 492 N 0.81 3.84 0.35 2.72 0.04 -1.26 -5.01 135.00 136.49 3kdg s PRO 492 Ca -0.06 1.83 -0.07 0.00 0.04 0.00 0.00 61.00 62.74 3kdg s PRO 492 Cb -0.15 -2.50 -0.05 0.00 0.04 0.00 0.00 34.50 31.83 3kdg s PRO 492 CO -0.01 -0.50 0.66 -0.51 0.04 0.00 0.00 177.00 176.68 3kdg s LEU 493 N -2.85 3.93 0.03 -3.56 1.43 -0.06 -4.95 118.68 112.65 3kdg s LEU 493 Ca 0.62 0.88 0.05 0.00 -1.03 0.00 0.00 54.13 54.64 3kdg s LEU 493 Cb -0.30 -3.74 -0.02 0.00 0.03 0.00 0.00 46.19 42.16 3kdg s LEU 493 CO 0.37 -0.32 -0.14 -0.89 0.23 0.00 0.00 176.35 175.61 3kdg s THR 494 N -2.27 1.09 -0.05 5.49 2.01 -1.26 -1.71 115.64 118.93 3kdg s THR 494 Ca 0.47 -0.89 -0.03 0.00 0.31 0.00 0.00 61.69 61.55 3kdg s THR 494 Cb -0.10 -0.97 0.03 0.00 0.01 0.00 0.00 72.50 71.47 3kdg s THR 494 CO 0.32 0.07 0.12 -0.36 -0.69 0.00 0.00 174.62 174.09 3kdg s PHE 495 N -0.72 -0.13 -0.02 4.92 0.08 -0.33 -5.01 117.98 116.78 3kdg s PHE 495 Ca 0.02 0.39 0.07 0.00 0.12 0.00 0.00 56.93 57.54 3kdg s PHE 495 Cb -0.07 -0.08 -0.02 0.00 -0.57 0.00 0.00 43.02 42.27 3kdg s PHE 495 CO 0.01 -0.13 -0.23 -1.01 -0.10 0.00 0.00 175.22 173.75 3kdg s HIS 496 N 0.94 2.42 0.16 0.36 3.76 -1.26 -0.54 115.29 121.13 3kdg s HIS 496 Ca -0.07 -0.37 0.00 0.00 -0.15 0.00 0.00 55.06 54.47 3kdg s HIS 496 Cb -0.10 -1.52 -0.04 0.00 1.11 0.00 0.00 32.58 32.03 3kdg s HIS 496 CO -0.04 0.03 0.04 0.71 -0.85 0.00 0.00 174.74 174.63 3kdg s TYR 497 N -0.67 1.07 1.00 1.40 2.02 0.22 -5.00 117.35 117.40 3kdg s TYR 497 Ca 0.11 -1.15 -0.16 0.00 -0.37 0.00 0.00 57.07 55.50 3kdg s TYR 497 Cb -0.10 -0.61 0.20 0.00 -0.40 0.00 0.00 41.96 41.05 3kdg s TYR 497 CO -0.00 -0.38 1.22 -1.54 -1.57 0.00 0.00 175.55 173.27 3kdg s SER 498 N -3.13 2.73 0.47 2.29 1.04 -1.26 -4.66 113.70 111.19 3kdg s SER 498 Ca 0.26 0.54 0.26 0.00 0.48 0.00 0.00 55.95 57.49 3kdg s SER 498 Cb 0.07 -0.78 1.05 0.00 0.10 0.00 0.00 66.02 66.46 3kdg s SER 498 CO 0.04 -2.99 1.88 0.00 0.98 0.00 0.00 173.24 173.14 3kdg h THR 499 N -1.81 0.42 0.03 2.02 1.03 -1.95 -1.17 112.91 111.48 3kdg h THR 499 Ca -0.46 -0.94 -0.06 0.00 -0.01 0.00 0.00 66.41 64.94 3kdg h THR 499 Cb 1.28 1.68 0.01 0.00 -1.07 0.00 0.00 68.15 70.05 3kdg h THR 499 CO 0.44 0.16 -0.25 0.78 -0.01 0.00 0.00 175.52 176.64 3kdg h ASN 500 N 0.00 0.17 0.14 0.00 2.35 -2.00 -3.27 115.58 112.97 3kdg h ASN 500 Ca -0.00 -0.90 -0.01 0.00 -0.55 0.00 0.00 56.30 54.85 3kdg h ASN 500 Cb 0.67 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.99 3kdg h ASN 500 CO 0.02 1.05 -0.07 -0.33 -1.65 0.00 0.00 177.43 176.46 3kdg h GLU 501 N -0.68 -0.18 -0.53 0.81 5.08 -1.90 -2.85 114.58 114.32 3kdg h GLU 501 Ca -0.04 0.01 0.16 0.00 -1.00 0.00 0.00 59.36 58.49 3kdg h GLU 501 Cb 1.12 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.39 3kdg h GLU 501 CO 0.05 0.26 0.45 0.00 -1.00 0.00 0.00 179.01 178.77 3kdg h ALA 502 N -0.03 2.38 0.03 3.43 0.00 -1.40 -0.81 119.26 122.85 3kdg h ALA 502 Ca -0.02 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.68 3kdg h ALA 502 Cb 0.52 0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.37 3kdg h ALA 502 CO 0.03 -0.73 -0.76 1.25 0.00 0.00 0.00 179.25 179.04 3kdg h LEU 503 N 0.00 0.62 -0.07 0.00 5.85 -1.59 -1.83 115.31 118.30 3kdg h LEU 503 Ca 0.25 -0.79 0.04 0.00 0.84 0.00 0.00 57.88 58.22 3kdg h LEU 503 Cb 1.15 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.95 3kdg h LEU 503 CO -0.00 1.33 -0.18 0.40 -0.34 0.00 0.00 178.44 179.65 3kdg h ILE 504 N -0.02 0.55 -0.54 4.05 2.04 -0.96 -2.24 117.51 120.39 3kdg h ILE 504 Ca -0.10 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.85 3kdg h ILE 504 Cb 1.48 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 38.07 3kdg h ILE 504 CO 0.15 0.00 0.36 0.40 0.00 0.00 0.00 178.15 179.06 3kdg h ILE 505 N -0.26 0.89 -0.46 -0.67 2.04 -1.26 -2.77 117.51 115.02 3kdg h ILE 505 Ca 0.08 -0.11 -0.13 0.00 1.00 0.00 0.00 64.86 65.69 3kdg h ILE 505 Cb 0.37 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 3kdg h ILE 505 CO -0.22 0.06 -0.23 -0.08 0.00 0.00 0.00 178.15 177.68 3kdg h GLU 506 N 0.33 0.97 -0.01 2.37 4.57 -0.70 -2.19 114.58 119.92 3kdg h GLU 506 Ca 0.25 -0.43 -0.10 0.00 -1.18 0.00 0.00 59.36 57.90 3kdg h GLU 506 Cb 0.55 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.09 3kdg h GLU 506 CO -0.06 1.10 -0.47 0.37 -1.18 0.00 0.00 179.01 178.77 3kdg h GLN 507 N 0.82 0.02 -0.64 1.92 4.15 -1.37 -3.10 115.11 116.90 3kdg h GLN 507 Ca 0.10 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.51 3kdg h GLN 507 Cb 0.81 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.50 3kdg h GLN 507 CO 0.07 0.48 0.00 0.72 -1.93 0.00 0.00 178.83 178.17 3kdg n HIS 508 N -3.98 1.46 0.10 3.99 8.25 -1.01 -4.47 115.22 119.56 3kdg n HIS 508 Ca -0.02 -0.56 0.07 0.00 -0.26 0.00 0.00 57.72 56.95 3kdg n HIS 508 Cb 0.49 -0.28 0.53 0.00 1.12 0.00 0.00 29.99 31.85 3kdg n HIS 508 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 3kdg h LYS 509 N 3.68 0.29 -0.25 -0.41 3.64 -1.33 -1.40 116.57 120.79 3kdg h LYS 509 Ca 0.00 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.32 3kdg h LYS 509 Cb 1.44 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.18 3kdg h LYS 509 CO 0.26 0.19 0.00 1.96 -2.27 0.00 0.00 179.45 179.59 3kdg h GLN 510 N 0.30 0.43 0.39 1.90 4.20 -1.86 -2.03 115.11 118.43 3kdg h GLN 510 Ca 0.10 -0.14 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 3kdg h GLN 510 Cb 0.05 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.79 3kdg h GLN 510 CO -0.02 0.60 -0.19 0.93 -0.67 0.00 0.00 178.83 179.49 3kdg h GLU 511 N 0.21 -0.50 -0.98 1.46 3.07 -1.62 -1.98 114.58 114.25 3kdg h GLU 511 Ca 0.07 0.03 0.08 0.00 -0.50 0.00 0.00 59.36 59.05 3kdg h GLU 511 Cb 0.41 0.11 -0.07 0.00 -0.84 0.00 0.00 28.75 28.36 3kdg h GLU 511 CO 0.01 -0.30 0.62 -0.07 -1.40 0.00 0.00 179.01 177.87 3kdg h LEU 512 N -0.57 0.96 -0.72 1.33 3.38 -1.40 -1.12 115.31 117.17 3kdg h LEU 512 Ca -0.05 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.03 3kdg h LEU 512 Cb 0.43 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 40.93 3kdg h LEU 512 CO 0.09 0.58 0.36 -0.08 0.09 0.00 0.00 178.44 179.48 3kdg h GLU 513 N 1.08 0.60 0.00 1.13 4.81 -1.08 0.42 114.58 121.54 3kdg h GLU 513 Ca 0.44 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.62 3kdg h GLU 513 Cb 0.27 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.51 3kdg h GLU 513 CO -0.20 0.39 -0.07 0.66 -0.73 0.00 0.00 179.01 179.06 3kdg h SER 514 N 0.61 0.00 -0.05 1.04 4.64 -0.45 -2.72 113.55 116.63 3kdg h SER 514 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 3kdg h SER 514 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 3kdg h SER 514 CO -0.27 0.07 0.00 0.52 -0.87 0.00 0.00 176.83 176.28 3kdg n VAL 515 N -3.16 0.03 0.00 0.95 0.31 -0.81 -4.72 118.33 110.93 3kdg n VAL 515 Ca 0.01 -0.40 0.00 0.00 -0.01 0.00 0.00 64.34 63.95 3kdg n VAL 515 Cb 0.41 1.00 0.00 0.00 -0.91 0.00 0.00 33.84 34.34 3kdg n VAL 515 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kdg n GLY 516 N 1.27 0.84 3.48 2.92 0.00 -0.91 -4.97 105.19 107.83 3kdg n GLY 516 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 3kdg n GLY 516 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kdg s VAL 517 N -2.00 4.96 -1.04 1.61 1.01 0.07 -4.38 120.40 120.63 3kdg s VAL 517 Ca 0.00 -0.25 -0.06 0.00 0.00 0.00 0.00 61.98 61.67 3kdg s VAL 517 Cb 0.00 -4.15 0.26 0.00 0.00 0.00 0.00 36.38 32.49 3kdg s VAL 517 CO 0.00 -0.57 1.03 0.49 0.00 0.00 0.00 175.10 176.05 3kdg n PHE 518 N 5.93 4.76 -2.47 5.22 3.72 -1.26 -3.00 117.46 130.36 3kdg n PHE 518 Ca -0.05 -3.92 -0.41 0.00 -0.05 0.00 0.00 57.45 53.02 3kdg n PHE 518 Cb 0.47 -1.48 -0.04 0.00 -0.94 0.00 0.00 39.48 37.49 3kdg n PHE 518 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3kdg s LEU 519 N -1.43 4.52 -0.19 4.37 1.43 -1.26 -4.44 118.68 121.67 3kdg s LEU 519 Ca 0.30 2.21 0.01 0.00 -1.03 0.00 0.00 54.13 55.62 3kdg s LEU 519 Cb -0.08 -3.62 0.04 0.00 0.03 0.00 0.00 46.19 42.57 3kdg s LEU 519 CO -0.08 -0.20 -0.11 -0.70 0.23 0.00 0.00 176.35 175.48 3kdg s GLU 520 N -0.91 2.07 -0.04 1.70 2.12 0.13 -4.94 118.70 118.83 3kdg s GLU 520 Ca 0.47 -0.82 -0.35 0.00 0.36 0.00 0.00 54.97 54.63 3kdg s GLU 520 Cb -0.31 -2.39 -0.13 0.00 0.26 0.00 0.00 34.13 31.55 3kdg s GLU 520 CO 0.38 -0.41 1.77 0.43 -0.54 0.00 0.00 175.26 176.90 3kdg n SER 521 N 4.69 3.17 -3.73 -1.70 7.64 -1.26 0.08 113.62 122.51 3kdg n SER 521 Ca -0.15 1.02 -0.29 0.00 1.01 0.00 0.00 58.87 60.46 3kdg n SER 521 Cb 0.47 -1.35 -0.12 0.00 -1.01 0.00 0.00 64.21 62.19 3kdg n SER 521 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 3kdg s PHE 522 N 3.11 2.41 0.00 1.43 5.36 -0.78 -4.85 117.98 124.66 3kdg s PHE 522 Ca 0.90 -2.76 0.00 0.00 -0.96 0.00 0.00 56.93 54.11 3kdg s PHE 522 Cb -0.74 -2.05 0.00 0.00 -0.34 0.00 0.00 43.02 39.89 3kdg s PHE 522 CO 0.50 -0.72 0.00 0.41 -1.46 0.00 0.00 175.22 173.95 3kdg n GLY 523 N 2.90 -1.61 3.57 13.12 0.00 -1.26 -4.38 105.19 117.54 3kdg n GLY 523 Ca 0.15 -1.77 -0.42 0.00 0.00 0.00 0.00 46.02 43.98 3kdg n GLY 523 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kdg s SER 524 N -4.00 6.47 -1.50 1.61 0.15 -1.26 -3.80 113.70 111.37 3kdg s SER 524 Ca 0.00 0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.83 3kdg s SER 524 Cb 0.00 -2.36 0.00 0.00 -1.71 0.00 0.00 66.02 61.95 3kdg s SER 524 CO 0.00 -0.69 0.00 0.59 1.20 0.00 0.00 173.24 174.34 3kdg n ASN 525 N 6.28 -4.78 -4.17 5.45 3.02 -1.26 -4.85 115.26 114.96 3kdg n ASN 525 Ca 0.01 0.20 -0.20 0.00 -0.03 0.00 0.00 54.58 54.56 3kdg n ASN 525 Cb 0.48 -3.76 -0.13 0.00 -0.61 0.00 0.00 39.78 35.76 3kdg n ASN 525 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3kdg s SER 526 N -2.59 1.74 0.03 6.41 0.01 -1.25 0.70 113.70 118.75 3kdg s SER 526 Ca 0.00 -0.53 0.01 0.00 1.31 0.00 0.00 55.95 56.74 3kdg s SER 526 Cb 0.00 -0.09 -0.02 0.00 0.21 0.00 0.00 66.02 66.12 3kdg s SER 526 CO 0.00 -0.00 -0.05 -0.31 0.41 0.00 0.00 173.24 173.29 3kdg s TYR 527 N -1.03 0.45 0.09 2.43 1.51 0.30 -1.87 117.35 119.23 3kdg s TYR 527 Ca 0.01 -0.57 0.10 0.00 -1.01 0.00 0.00 57.07 55.59 3kdg s TYR 527 Cb -0.09 -0.29 -0.03 0.00 -0.11 0.00 0.00 41.96 41.44 3kdg s TYR 527 CO 0.02 -0.16 -0.27 0.42 -1.11 0.00 0.00 175.55 174.45 3kdg s ILE 528 N -1.70 2.20 -0.13 2.71 1.01 0.11 -1.19 121.20 124.21 3kdg s ILE 528 Ca -0.11 -1.58 -0.00 0.00 0.00 0.00 0.00 60.65 58.96 3kdg s ILE 528 Cb -0.08 -1.91 0.03 0.00 0.01 0.00 0.00 42.46 40.50 3kdg s ILE 528 CO -0.01 0.22 -0.09 -0.69 0.00 0.00 0.00 174.94 174.37 3kdg s VAL 529 N -0.94 1.19 -0.45 2.92 1.01 -0.70 0.19 120.40 123.63 3kdg s VAL 529 Ca 0.13 -0.44 0.14 0.00 0.00 0.00 0.00 61.98 61.81 3kdg s VAL 529 Cb -0.10 -1.20 -0.17 0.00 0.00 0.00 0.00 36.38 34.90 3kdg s VAL 529 CO 0.04 0.35 0.50 0.54 0.00 0.00 0.00 175.10 176.53 3kdg n ARG 530 N 4.88 1.82 -3.94 2.72 1.74 -1.26 -0.88 116.66 121.74 3kdg n ARG 530 Ca -0.14 -0.04 -0.09 0.00 -0.77 0.00 0.00 57.85 56.81 3kdg n ARG 530 Cb 0.50 -1.21 -0.05 0.00 -1.02 0.00 0.00 32.46 30.67 3kdg n ARG 530 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kdg s HIS 532 N -3.98 -0.30 0.47 0.00 -3.43 -0.69 -4.51 115.29 102.85 3kdg s HIS 532 Ca 0.19 -0.05 -0.25 0.00 -0.80 0.00 0.00 55.06 54.15 3kdg s HIS 532 Cb 0.00 0.62 -0.08 0.00 -1.43 0.00 0.00 32.58 31.69 3kdg s HIS 532 CO 0.05 -1.06 1.43 -2.14 -2.00 0.00 0.00 174.74 171.01 3kdg s PRO 533 N -3.85 3.59 0.45 -0.38 0.02 -1.26 0.16 135.00 133.72 3kdg s PRO 533 Ca 0.07 2.41 0.31 0.00 0.02 0.00 0.00 61.00 63.81 3kdg s PRO 533 Cb -0.04 -2.59 1.38 0.00 0.02 0.00 0.00 34.50 33.27 3kdg s PRO 533 CO -0.01 -0.89 1.92 0.00 -0.33 0.00 0.00 177.00 177.68 3kdg h ALA 534 N 2.18 1.00 -0.24 -1.55 0.00 -0.98 -2.83 119.26 116.84 3kdg h ALA 534 Ca -0.51 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3kdg h ALA 534 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3kdg h ALA 534 CO 0.60 0.00 0.00 -2.67 0.00 0.00 0.00 179.25 177.18 3kdg n TRP 535 N -2.72 0.31 -1.80 0.00 4.27 -1.26 -4.88 117.44 111.35 3kdg n TRP 535 Ca 0.00 -0.15 -0.40 0.00 -3.89 0.00 0.00 57.50 53.06 3kdg n TRP 535 Cb 0.22 0.00 0.01 0.00 -1.36 0.00 0.00 31.31 30.18 3kdg n TRP 535 CO 0.00 0.00 0.00 -0.06 -2.29 0.00 0.00 177.69 175.34 3kdg s PHE 536 N -1.69 2.49 -0.34 -2.67 0.40 -1.07 -4.89 117.98 110.22 3kdg s PHE 536 Ca 0.34 1.24 -0.40 0.00 -0.60 0.00 0.00 56.93 57.50 3kdg s PHE 536 Cb 0.19 -3.95 -0.15 0.00 0.51 0.00 0.00 43.02 39.61 3kdg s PHE 536 CO 0.27 -2.95 1.87 -2.30 0.70 0.00 0.00 175.22 172.81 3kdg n PRO 537 N -0.02 0.93 -1.66 0.24 -0.02 -1.26 -4.84 135.00 128.38 3kdg n PRO 537 Ca 0.04 0.32 -0.47 0.00 -2.02 0.00 0.00 63.50 61.37 3kdg n PRO 537 Cb 0.41 -2.06 -0.05 0.00 -0.02 0.00 0.00 33.50 31.78 3kdg n PRO 537 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3kdg n LYS 538 N 6.08 1.96 -0.99 -0.52 4.76 -1.26 -2.53 118.16 125.65 3kdg n LYS 538 Ca 0.33 0.71 0.00 0.00 -2.87 0.00 0.00 58.31 56.47 3kdg n LYS 538 Cb 0.12 -2.46 0.00 0.00 -1.84 0.00 0.00 35.03 30.85 3kdg n LYS 538 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kdg n GLY 539 N 3.31 0.94 0.28 0.72 0.00 -1.26 -4.81 105.19 104.37 3kdg n GLY 539 Ca 0.18 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.27 3kdg n GLY 539 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kdg n GLU 540 N -2.07 1.06 0.03 1.61 1.02 -1.05 -4.84 120.64 116.40 3kdg n GLU 540 Ca 0.00 -2.40 -0.12 0.00 -0.02 0.00 0.00 57.16 54.61 3kdg n GLU 540 Cb 0.00 -1.29 -0.07 0.00 -0.02 0.00 0.00 31.44 30.05 3kdg n GLU 540 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3kdg h GLU 541 N 0.19 0.00 -0.35 3.49 3.07 -1.88 -1.60 114.58 117.51 3kdg h GLU 541 Ca -0.01 -0.00 0.02 0.00 -0.50 0.00 0.00 59.36 58.87 3kdg h GLU 541 Cb 1.10 -0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.98 3kdg h GLU 541 CO 0.00 0.07 0.18 0.00 -1.40 0.00 0.00 179.01 177.86 3kdg h ALA 542 N 0.94 0.43 -0.15 3.43 0.00 -1.95 0.99 119.26 122.95 3kdg h ALA 542 Ca 0.00 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.94 3kdg h ALA 542 Cb 0.06 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3kdg h ALA 542 CO -0.00 -0.19 0.02 1.49 0.00 0.00 0.00 179.25 180.57 3kdg h GLU 543 N 0.37 0.07 -0.28 0.00 4.81 -1.91 -2.12 114.58 115.51 3kdg h GLU 543 Ca 0.14 -0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.38 3kdg h GLU 543 Cb 0.04 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 3kdg h GLU 543 CO -0.09 0.05 0.17 1.25 -0.73 0.00 0.00 179.01 179.66 3kdg h LEU 544 N 0.07 0.29 -0.85 1.64 5.85 -0.85 -1.23 115.31 120.23 3kdg h LEU 544 Ca 0.07 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.81 3kdg h LEU 544 Cb 0.07 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 40.99 3kdg h LEU 544 CO -0.10 0.21 0.55 0.40 -0.34 0.00 0.00 178.44 179.17 3kdg h ILE 545 N 0.36 1.17 -0.49 4.05 2.04 -0.68 -0.40 117.51 123.55 3kdg h ILE 545 Ca 0.11 -0.38 -0.07 0.00 1.00 0.00 0.00 64.86 65.52 3kdg h ILE 545 Cb -0.02 -0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.02 3kdg h ILE 545 CO -0.04 0.20 0.02 -0.08 0.00 0.00 0.00 178.15 178.25 3kdg h GLU 546 N 1.10 0.86 -0.54 2.37 4.81 -1.06 -1.72 114.58 120.40 3kdg h GLU 546 Ca 0.33 -0.27 -0.08 0.00 -0.13 0.00 0.00 59.36 59.21 3kdg h GLU 546 Cb -0.05 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 3kdg h GLU 546 CO -0.10 0.89 0.02 1.49 -0.73 0.00 0.00 179.01 180.58 3kdg h GLU 547 N 0.72 0.93 -0.15 1.92 4.81 -0.70 0.24 114.58 122.36 3kdg h GLU 547 Ca 0.14 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 3kdg h GLU 547 Cb 0.49 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 3kdg h GLU 547 CO 0.02 0.94 0.10 0.82 -0.73 0.00 0.00 179.01 180.16 3kdg h ILE 548 N 0.81 1.05 -0.87 2.32 2.04 -1.03 -0.82 117.51 121.01 3kdg h ILE 548 Ca 0.15 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.90 3kdg h ILE 548 Cb 0.50 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 37.40 3kdg h ILE 548 CO 0.02 0.05 0.56 0.40 0.00 0.00 0.00 178.15 179.19 3kdg h ILE 549 N 0.19 1.23 -0.68 -0.67 2.04 -1.06 -2.00 117.51 116.56 3kdg h ILE 549 Ca 0.06 -0.45 -0.03 0.00 1.00 0.00 0.00 64.86 65.44 3kdg h ILE 549 Cb 0.00 -0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.01 3kdg h ILE 549 CO -0.01 0.23 0.31 -0.61 0.00 0.00 0.00 178.15 178.07 3kdg h GLN 550 N 1.19 0.97 -0.35 2.37 5.75 -0.07 -2.60 115.11 122.38 3kdg h GLN 550 Ca 0.32 -0.14 0.01 0.00 -0.15 0.00 0.00 58.65 58.68 3kdg h GLN 550 Cb -0.11 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 28.25 3kdg h GLN 550 CO -0.07 0.77 0.23 0.37 -2.65 0.00 0.00 178.83 177.48 3kdg h GLN 551 N 0.97 0.45 -0.64 1.69 5.75 -0.40 -1.61 115.11 121.31 3kdg h GLN 551 Ca 0.23 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.71 3kdg h GLN 551 Cb 0.13 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.55 3kdg h GLN 551 CO -0.03 0.30 0.41 0.28 -2.65 0.00 0.00 178.83 177.14 3kdg h VAL 552 N 0.46 1.17 0.08 2.39 2.07 -1.33 -2.63 116.25 118.46 3kdg h VAL 552 Ca 0.13 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 3kdg h VAL 552 Cb -0.04 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 29.98 3kdg h VAL 552 CO -0.04 0.17 -0.04 -0.07 0.02 0.00 0.00 177.57 177.62 3kdg h LEU 553 N 0.88 -0.09 -1.25 2.57 4.07 -0.99 -2.29 115.31 118.21 3kdg h LEU 553 Ca 0.23 -0.07 -0.06 0.00 0.08 0.00 0.00 57.88 58.06 3kdg h LEU 553 Cb -0.07 0.02 -0.01 0.00 1.08 0.00 0.00 40.66 41.68 3kdg h LEU 553 CO -0.05 0.02 -0.11 0.44 -1.08 0.00 0.00 178.44 177.66 3kdg h ASP 554 N -0.19 0.36 0.98 -0.43 3.32 -0.99 -2.88 116.42 116.59 3kdg h ASP 554 Ca -0.01 -0.08 -0.18 0.00 0.02 0.00 0.00 57.03 56.78 3kdg h ASP 554 Cb 0.16 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 3kdg h ASP 554 CO 0.02 0.51 -1.09 0.28 -1.72 0.00 0.00 179.24 177.24 3kdg h SER 555 N 0.36 0.00 0.00 6.45 0.02 -1.49 -3.47 113.55 115.41 3kdg h SER 555 Ca 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 3kdg h SER 555 Cb 0.42 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.96 3kdg h SER 555 CO 0.02 0.74 0.00 0.29 -1.14 0.00 0.00 176.83 176.74 3kdg n LYS 556 N -3.14 0.00 -4.94 3.45 5.02 -0.86 -4.77 118.16 112.92 3kdg n LYS 556 Ca -0.05 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 55.96 3kdg n LYS 556 Cb 0.87 -0.03 -0.17 0.00 -0.02 0.00 0.00 35.03 35.69 3kdg n LYS 556 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3kdg s ASN 557 N 0.00 2.45 -0.12 4.39 -0.87 -1.26 -4.97 114.94 114.55 3kdg s ASN 557 Ca 0.00 -0.42 -0.30 0.00 -1.57 0.00 0.00 52.86 50.57 3kdg s ASN 557 Cb 0.00 -0.95 0.10 0.00 -0.02 0.00 0.00 41.25 40.38 3kdg s ASN 557 CO 0.00 0.13 0.84 -0.51 -2.57 0.00 0.00 177.10 174.99 3kdg s ILE 558 N 0.29 0.00 0.42 0.60 2.07 -1.26 -5.12 121.20 118.19 3kdg s ILE 558 Ca -0.12 0.00 0.08 0.00 -1.41 0.00 0.00 60.65 59.20 3kdg s ILE 558 Cb -0.15 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.41 3kdg s ILE 558 CO 0.05 0.00 0.34 1.51 -1.91 0.00 0.00 174.94 174.93 3kdg s ASP 559 N -0.97 4.94 0.17 4.50 1.47 -1.26 -4.99 116.67 120.53 3kdg s ASP 559 Ca -0.05 -0.81 -0.14 0.00 1.18 0.00 0.00 52.55 52.73 3kdg s ASP 559 Cb -0.01 -0.55 0.08 0.00 -0.34 0.00 0.00 42.92 42.11 3kdg s ASP 559 CO 0.05 -0.64 1.82 0.40 0.68 0.00 0.00 175.17 177.48 3kdg h ILE 560 N 1.09 1.08 -0.24 2.11 2.04 -1.98 -0.84 117.51 120.78 3kdg h ILE 560 Ca -0.42 -0.22 0.05 0.00 1.00 0.00 0.00 64.86 65.28 3kdg h ILE 560 Cb 1.26 0.39 -0.05 0.00 -0.74 0.00 0.00 36.82 37.68 3kdg h ILE 560 CO 0.60 0.11 -0.11 0.50 0.00 0.00 0.00 178.15 179.25 3kdg h LYS 561 N 0.63 -0.08 -0.23 2.37 3.64 -1.99 0.49 116.57 121.41 3kdg h LYS 561 Ca 0.20 0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.44 3kdg h LYS 561 Cb -0.01 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 3kdg h LYS 561 CO -0.07 -0.05 -0.47 -0.22 -2.27 0.00 0.00 179.45 176.36 3kdg h LYS 562 N -0.08 0.59 -0.25 1.90 1.63 -1.94 -2.47 116.57 115.95 3kdg h LYS 562 Ca 0.13 -0.33 -0.04 0.00 -0.85 0.00 0.00 60.65 59.55 3kdg h LYS 562 Cb 0.27 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.92 3kdg h LYS 562 CO -0.29 0.94 -0.01 1.25 -3.45 0.00 0.00 179.45 177.89 3kdg h LEU 563 N 0.47 0.44 -1.20 5.20 5.85 -0.49 0.23 115.31 125.82 3kdg h LEU 563 Ca 0.03 -0.32 0.02 0.00 0.84 0.00 0.00 57.88 58.45 3kdg h LEU 563 Cb 1.00 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.86 3kdg h LEU 563 CO 0.09 0.65 0.55 0.03 -0.34 0.00 0.00 178.44 179.42 3kdg h ARG 564 N 0.22 1.05 -0.21 1.25 3.08 -0.06 0.25 114.38 119.95 3kdg h ARG 564 Ca 0.07 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 3kdg h ARG 564 Cb 0.43 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 3kdg h ARG 564 CO 0.01 0.69 0.04 1.49 -1.07 0.00 0.00 179.97 181.13 3kdg h GLU 565 N 1.08 0.35 -0.56 0.04 4.81 -1.21 -1.94 114.58 117.15 3kdg h GLU 565 Ca 0.31 -0.09 -0.08 0.00 -0.13 0.00 0.00 59.36 59.37 3kdg h GLU 565 Cb -0.06 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 3kdg h GLU 565 CO -0.08 0.50 0.03 0.93 -0.73 0.00 0.00 179.01 179.66 3kdg h GLU 566 N 0.15 0.93 -0.41 1.92 4.39 -0.23 -2.61 114.58 118.72 3kdg h GLU 566 Ca 0.06 -0.26 -0.10 0.00 0.34 0.00 0.00 59.36 59.40 3kdg h GLU 566 Cb 0.31 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 3kdg h GLU 566 CO 0.00 0.90 -0.14 0.00 -1.16 0.00 0.00 179.01 178.61 3kdg h ALA 567 N 1.16 0.57 -0.24 3.43 0.00 -0.46 -1.41 119.26 122.30 3kdg h ALA 567 Ca 0.17 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 3kdg h ALA 567 Cb 0.47 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3kdg h ALA 567 CO 0.02 0.49 -0.11 0.00 0.00 0.00 0.00 179.25 179.65 3kdg h ALA 568 N 0.84 1.37 0.14 0.00 0.00 -1.27 -0.20 119.26 120.14 3kdg h ALA 568 Ca 0.10 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3kdg h ALA 568 Cb 0.69 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3kdg h ALA 568 CO 0.05 0.43 -0.07 0.82 0.00 0.00 0.00 179.25 180.48 3kdg h ILE 569 N 0.37 0.99 -0.52 0.00 2.04 -1.20 -1.36 117.51 117.83 3kdg h ILE 569 Ca 0.07 -0.60 0.06 0.00 1.00 0.00 0.00 64.86 65.40 3kdg h ILE 569 Cb 0.42 1.35 -0.03 0.00 -0.74 0.00 0.00 36.82 37.82 3kdg h ILE 569 CO 0.02 0.14 0.35 0.24 0.00 0.00 0.00 178.15 178.90 3kdg h MET 570 N -0.48 0.45 -0.08 2.37 2.86 -0.91 -1.60 114.93 117.55 3kdg h MET 570 Ca -0.02 -0.03 -0.20 0.00 -2.06 0.00 0.00 59.70 57.39 3kdg h MET 570 Cb 0.38 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 31.93 3kdg h MET 570 CO 0.03 0.30 -0.78 0.52 1.06 0.00 0.00 176.91 178.04 3kdg h MET 571 N 0.46 0.48 0.00 1.72 2.86 -0.95 -3.05 114.93 116.45 3kdg h MET 571 Ca 0.23 -0.41 -0.03 0.00 -2.06 0.00 0.00 59.70 57.43 3kdg h MET 571 Cb 0.30 0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.05 3kdg h MET 571 CO -0.06 1.05 -0.13 0.77 1.06 0.00 0.00 176.91 179.59 3kdg h SER 572 N 0.32 0.00 0.29 1.22 0.02 -0.29 -2.76 113.55 112.35 3kdg h SER 572 Ca -0.04 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.78 3kdg h SER 572 Cb 1.37 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.90 3kdg h SER 572 CO 0.14 0.13 -0.49 0.00 -1.14 0.00 0.00 176.83 175.47 3kdg n LYS 574 N -3.96 2.40 -3.24 0.00 4.76 -1.05 -5.14 118.16 111.93 3kdg n LYS 574 Ca -0.02 0.84 -0.19 0.00 -2.87 0.00 0.00 58.31 56.08 3kdg n LYS 574 Cb 0.54 -2.58 -0.00 0.00 -1.84 0.00 0.00 35.03 31.14 3kdg n LYS 574 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3kdg s GLY 575 N -0.30 2.02 0.00 0.72 0.00 -1.26 -5.09 107.32 103.42 3kdg s GLY 575 Ca 0.57 -1.77 0.00 0.00 0.00 0.00 0.00 44.72 43.52 3kdg s GLY 575 CO 0.61 -1.59 0.00 1.16 0.00 0.00 0.00 173.10 173.28 3kdg n ASN 580 N -1.75 0.00 -4.76 1.64 0.23 -1.26 -5.17 115.26 104.18 3kdg n ASN 580 Ca 0.06 -0.05 -0.41 0.00 -0.53 0.00 0.00 54.58 53.65 3kdg n ASN 580 Cb 0.60 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 38.28 3kdg n ASN 580 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 3kdg s ARG 581 N 0.39 4.34 -0.31 -3.83 0.52 -1.26 -4.42 118.95 114.39 3kdg s ARG 581 Ca 0.00 2.22 -0.28 0.00 -0.52 0.00 0.00 55.73 57.15 3kdg s ARG 581 Cb 0.00 -3.09 0.01 0.00 0.52 0.00 0.00 34.95 32.39 3kdg s ARG 581 CO 0.00 -0.24 1.02 -1.01 0.02 0.00 0.00 175.30 175.09 3kdg s HIS 582 N -0.80 3.18 0.24 -0.53 3.76 -1.26 -4.56 115.29 115.32 3kdg s HIS 582 Ca 0.52 1.15 -0.26 0.00 -0.15 0.00 0.00 55.06 56.31 3kdg s HIS 582 Cb -0.40 -3.57 -0.09 0.00 1.11 0.00 0.00 32.58 29.64 3kdg s HIS 582 CO 0.50 -0.70 0.86 -0.51 -0.85 0.00 0.00 174.74 174.03 3kdg s LEU 583 N 3.48 4.50 0.70 0.89 1.43 -1.26 -5.04 118.68 123.38 3kdg s LEU 583 Ca 0.43 1.75 -0.11 0.00 -1.03 0.00 0.00 54.13 55.17 3kdg s LEU 583 Cb -0.13 -3.64 0.01 0.00 0.03 0.00 0.00 46.19 42.47 3kdg s LEU 583 CO 0.14 0.09 1.07 -0.13 0.23 0.00 0.00 176.35 177.75 3kdg s ARG 584 N -1.55 2.90 0.35 1.70 0.52 -1.26 -4.75 118.95 116.85 3kdg s ARG 584 Ca 0.43 0.69 0.05 0.00 -0.52 0.00 0.00 55.73 56.38 3kdg s ARG 584 Cb -0.22 -2.01 0.66 0.00 0.52 0.00 0.00 34.95 33.91 3kdg s ARG 584 CO 0.26 -1.06 1.90 -0.91 0.02 0.00 0.00 175.30 175.51 3kdg h ASN 585 N -0.68 0.46 -0.88 0.23 4.21 -1.97 0.13 115.58 117.08 3kdg h ASN 585 Ca -0.45 -0.08 -0.01 0.00 1.21 0.00 0.00 56.30 56.97 3kdg h ASN 585 Cb 1.23 -0.12 -0.04 0.00 -1.12 0.00 0.00 38.32 38.27 3kdg h ASN 585 CO 0.61 0.51 0.50 -2.24 -1.29 0.00 0.00 177.43 175.52 3kdg h ASP 586 N 0.48 1.07 -0.14 5.81 2.03 -1.99 0.13 116.42 123.82 3kdg h ASP 586 Ca 0.11 -0.08 -0.14 0.00 -0.73 0.00 0.00 57.03 56.18 3kdg h ASP 586 Cb 0.28 -0.27 -0.01 0.00 -0.83 0.00 0.00 39.33 38.50 3kdg h ASP 586 CO 0.01 0.85 -0.40 -0.33 -1.03 0.00 0.00 179.24 178.33 3kdg h GLU 587 N 1.22 0.67 -0.26 4.15 5.08 -1.68 -2.42 114.58 121.35 3kdg h GLU 587 Ca 0.31 -0.35 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 3kdg h GLU 587 Cb -0.01 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3kdg h GLU 587 CO -0.05 0.95 0.14 0.82 -1.00 0.00 0.00 179.01 179.87 3kdg h ILE 588 N 0.55 1.12 -0.77 3.13 2.04 -0.71 -1.84 117.51 121.03 3kdg h ILE 588 Ca 0.05 -0.33 0.02 0.00 1.00 0.00 0.00 64.86 65.59 3kdg h ILE 588 Cb 0.93 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 37.84 3kdg h ILE 588 CO 0.08 0.12 0.50 0.50 0.00 0.00 0.00 178.15 179.36 3kdg h LYS 589 N 0.30 0.97 -0.56 2.37 1.63 -0.63 -0.56 116.57 120.09 3kdg h LYS 589 Ca 0.09 -0.06 0.01 0.00 -0.85 0.00 0.00 60.65 59.84 3kdg h LYS 589 Cb 0.07 -0.22 -0.03 0.00 -0.60 0.00 0.00 32.23 31.45 3kdg h LYS 589 CO -0.01 0.64 0.37 0.00 -3.45 0.00 0.00 179.45 177.00 3kdg h ALA 590 N 1.30 0.71 -0.52 5.00 0.00 -1.33 -1.33 119.26 123.10 3kdg h ALA 590 Ca 0.30 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 3kdg h ALA 590 Cb -0.05 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3kdg h ALA 590 CO -0.09 0.14 0.19 1.25 0.00 0.00 0.00 179.25 180.74 3kdg h LEU 591 N 0.75 0.73 -0.67 0.00 6.46 -0.73 -1.45 115.31 120.40 3kdg h LEU 591 Ca 0.21 -0.19 -0.03 0.00 -0.12 0.00 0.00 57.88 57.75 3kdg h LEU 591 Cb -0.07 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 39.63 3kdg h LEU 591 CO -0.05 0.72 0.29 -0.07 -0.62 0.00 0.00 178.44 178.71 3kdg h LEU 592 N 0.70 0.91 -0.59 2.25 3.38 -0.90 0.33 115.31 121.39 3kdg h LEU 592 Ca 0.17 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 3kdg h LEU 592 Cb 0.23 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3kdg h LEU 592 CO -0.01 0.81 0.15 0.44 0.09 0.00 0.00 178.44 179.92 3kdg h ASP 593 N 0.95 0.90 -0.39 -0.43 3.32 -1.10 -1.29 116.42 118.37 3kdg h ASP 593 Ca 0.23 -0.23 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 3kdg h ASP 593 Cb 0.17 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 3kdg h ASP 593 CO -0.02 0.90 0.05 0.44 -1.72 0.00 0.00 179.24 178.89 3kdg h ASP 594 N 0.86 0.64 -0.55 6.45 3.32 -0.87 -3.06 116.42 123.21 3kdg h ASP 594 Ca 0.19 -0.27 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 3kdg h ASP 594 Cb 0.35 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 3kdg h ASP 594 CO 0.00 0.74 0.34 0.25 -1.72 0.00 0.00 179.24 178.85 3kdg h LEU 595 N 0.50 0.66 -1.67 1.55 5.85 -0.18 -2.49 115.31 119.54 3kdg h LEU 595 Ca 0.12 -0.05 0.20 0.00 0.84 0.00 0.00 57.88 58.98 3kdg h LEU 595 Cb 0.39 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 3kdg h LEU 595 CO 0.01 0.52 0.57 0.03 -0.34 0.00 0.00 178.44 179.23 3kdg h ARG 596 N 0.75 0.28 0.00 1.25 3.08 -1.19 -1.90 114.38 116.65 3kdg h ARG 596 Ca 0.20 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.23 3kdg h ARG 596 Cb -0.02 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 29.96 3kdg h ARG 596 CO -0.04 0.18 -0.03 0.43 -1.07 0.00 0.00 179.97 179.45 3kdg n SER 597 N -4.44 0.76 -4.84 7.04 7.64 -0.94 -4.75 113.62 114.09 3kdg n SER 597 Ca 0.17 0.55 -0.29 0.00 1.01 0.00 0.00 58.87 60.31 3kdg n SER 597 Cb 0.71 -0.73 0.10 0.00 -1.01 0.00 0.00 64.21 63.28 3kdg n SER 597 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3kdg s THR 598 N -3.10 2.34 -0.59 0.44 -4.23 -0.71 -4.96 115.64 104.84 3kdg s THR 598 Ca 0.11 0.11 0.26 0.00 -1.18 0.00 0.00 61.69 60.98 3kdg s THR 598 Cb 0.13 -2.97 0.29 0.00 1.34 0.00 0.00 72.50 71.29 3kdg s THR 598 CO 0.60 -0.15 1.75 0.77 -0.54 0.00 0.00 174.62 177.06 3kdg h SER 599 N -1.19 0.00 -1.26 3.99 4.64 -1.90 -3.40 113.55 114.44 3kdg h SER 599 Ca -0.48 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 60.64 3kdg h SER 599 Cb 1.31 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 63.19 3kdg h SER 599 CO 0.63 0.00 -0.56 -0.62 -0.87 0.00 0.00 176.83 175.41 3kdg s ASP 600 N -4.73 -0.87 0.08 4.97 2.15 -1.26 -5.00 116.67 112.01 3kdg s ASP 600 Ca 0.08 -1.69 0.21 0.00 0.43 0.00 0.00 52.55 51.58 3kdg s ASP 600 Cb 0.10 1.50 0.84 0.00 -0.30 0.00 0.00 42.92 45.07 3kdg s ASP 600 CO 0.55 -0.11 1.64 -2.65 -0.17 0.00 0.00 175.17 174.44 3kdg n PRO 601 N 3.36 0.07 0.02 4.34 -0.02 -1.26 -3.48 135.00 138.04 3kdg n PRO 601 Ca 0.17 0.24 0.03 0.00 -2.02 0.00 0.00 63.50 61.92 3kdg n PRO 601 Cb 0.54 -1.62 -0.09 0.00 -0.02 0.00 0.00 33.50 32.31 3kdg n PRO 601 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3kdg n PHE 602 N -1.75 0.67 -3.80 6.00 3.01 -1.26 -4.28 117.46 116.05 3kdg n PHE 602 Ca 0.04 0.21 -0.14 0.00 1.01 0.00 0.00 57.45 58.58 3kdg n PHE 602 Cb 0.24 -0.94 -0.15 0.00 -0.01 0.00 0.00 39.48 38.62 3kdg n PHE 602 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 3kdg s THR 603 N -3.05 -0.04 0.69 4.37 2.01 -1.23 0.19 115.64 118.58 3kdg s THR 603 Ca -0.04 0.13 -0.11 0.00 0.31 0.00 0.00 61.69 61.97 3kdg s THR 603 Cb 0.09 -0.10 0.00 0.00 0.01 0.00 0.00 72.50 72.51 3kdg s THR 603 CO 0.83 0.05 1.08 0.00 -0.69 0.00 0.00 174.62 175.89 3kdg h PRO 605 N -0.58 0.00 -0.52 0.00 0.11 -1.89 0.60 132.00 129.72 3kdg h PRO 605 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3kdg h PRO 605 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3kdg h PRO 605 CO 0.63 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 179.14 3kdg n HIS 606 N -3.29 0.68 -0.05 0.65 8.25 -1.26 -4.96 115.22 115.24 3kdg n HIS 606 Ca 0.02 -0.36 0.00 0.00 -0.26 0.00 0.00 57.72 57.12 3kdg n HIS 606 Cb 0.47 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.58 3kdg n HIS 606 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kdg n GLY 607 N 1.48 0.46 3.74 -1.41 0.00 0.20 -5.06 105.19 104.60 3kdg n GLY 607 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 3kdg n GLY 607 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kdg s ARG 608 N -0.86 4.39 0.39 1.61 3.00 -1.26 -4.74 118.95 121.48 3kdg s ARG 608 Ca 0.00 2.08 -0.27 0.00 0.00 0.00 0.00 55.73 57.54 3kdg s ARG 608 Cb 0.00 -3.17 -0.11 0.00 0.00 0.00 0.00 34.95 31.67 3kdg s ARG 608 CO 0.00 -0.23 1.39 -2.30 0.00 0.00 0.00 175.30 174.17 3kdg n PRO 609 N 2.30 2.33 -0.10 3.54 -0.02 -1.26 0.15 135.00 141.94 3kdg n PRO 609 Ca 0.05 0.82 -0.12 0.00 -2.02 0.00 0.00 63.50 62.23 3kdg n PRO 609 Cb 0.43 -2.53 -0.12 0.00 -0.02 0.00 0.00 33.50 31.25 3kdg n PRO 609 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3kdg n ILE 610 N 0.15 1.24 -4.83 4.25 5.41 0.13 -4.75 119.36 120.96 3kdg n ILE 610 Ca 0.04 -0.60 -0.27 0.00 1.00 0.00 0.00 62.75 62.92 3kdg n ILE 610 Cb 0.39 -0.96 -0.16 0.00 -0.71 0.00 0.00 39.64 38.20 3kdg n ILE 610 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3kdg s ILE 611 N -2.43 1.45 -0.15 1.39 1.01 -1.21 -1.52 121.20 119.74 3kdg s ILE 611 Ca -0.20 -0.70 0.00 0.00 0.00 0.00 0.00 60.65 59.75 3kdg s ILE 611 Cb 0.07 -1.27 -0.00 0.00 0.01 0.00 0.00 42.46 41.26 3kdg s ILE 611 CO 0.60 0.42 -0.15 -0.63 0.00 0.00 0.00 174.94 175.18 3kdg s ILE 612 N 0.31 2.69 -0.12 2.92 1.01 0.70 -4.98 121.20 123.73 3kdg s ILE 612 Ca -0.10 -0.77 0.01 0.00 0.00 0.00 0.00 60.65 59.79 3kdg s ILE 612 Cb -0.14 -2.13 -0.01 0.00 0.01 0.00 0.00 42.46 40.19 3kdg s ILE 612 CO 0.04 0.52 -0.16 -2.28 0.00 0.00 0.00 174.94 173.06 3kdg s HIS 613 N 0.74 2.73 -0.31 3.97 5.65 -1.26 -0.30 115.29 126.51 3kdg s HIS 613 Ca -0.06 -0.71 -0.04 0.00 0.25 0.00 0.00 55.06 54.50 3kdg s HIS 613 Cb -0.15 -1.79 0.04 0.00 -1.18 0.00 0.00 32.58 29.50 3kdg s HIS 613 CO 0.01 -0.24 0.03 -1.01 -0.65 0.00 0.00 174.74 172.89 3kdg s HIS 614 N 0.26 3.24 0.89 3.88 3.76 -0.42 -5.00 115.29 121.90 3kdg s HIS 614 Ca -0.11 -1.64 -0.11 0.00 -0.15 0.00 0.00 55.06 53.05 3kdg s HIS 614 Cb -0.16 -2.17 0.13 0.00 1.11 0.00 0.00 32.58 31.49 3kdg s HIS 614 CO 0.06 -0.76 1.09 -1.54 -0.85 0.00 0.00 174.74 172.75 3kdg s SER 615 N 1.32 3.43 0.33 1.40 1.04 -1.26 -0.78 113.70 119.19 3kdg s SER 615 Ca -0.03 1.67 0.01 0.00 0.48 0.00 0.00 55.95 58.09 3kdg s SER 615 Cb -0.19 -2.32 0.56 0.00 0.10 0.00 0.00 66.02 64.16 3kdg s SER 615 CO 0.00 -2.69 1.94 0.71 0.98 0.00 0.00 173.24 174.18 3kdg h THR 616 N -1.59 1.19 -0.23 2.02 1.35 -1.39 0.61 112.91 114.86 3kdg h THR 616 Ca -0.48 -0.49 -0.02 0.00 -0.55 0.00 0.00 66.41 64.87 3kdg h THR 616 Cb 1.27 0.42 -0.01 0.00 -1.73 0.00 0.00 68.15 68.10 3kdg h THR 616 CO 0.51 0.21 0.09 0.22 -0.25 0.00 0.00 175.52 176.30 3kdg h TYR 617 N 0.81 0.36 -0.95 4.73 3.20 -1.91 -1.79 116.97 121.43 3kdg h TYR 617 Ca 0.21 -0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.04 3kdg h TYR 617 Cb 0.05 -0.11 -0.05 0.00 1.54 0.00 0.00 36.73 38.17 3kdg h TYR 617 CO 0.01 0.40 0.59 0.93 -1.64 0.00 0.00 178.16 178.45 3kdg h GLU 618 N 0.22 1.27 -0.40 1.82 5.08 -1.70 -1.41 114.58 119.46 3kdg h GLU 618 Ca 0.08 -0.10 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 3kdg h GLU 618 Cb 0.20 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 3kdg h GLU 618 CO -0.01 0.87 0.06 0.52 -1.00 0.00 0.00 179.01 179.46 3kdg h MET 619 N 1.30 0.66 -0.93 2.33 2.86 -0.75 -1.21 114.93 119.18 3kdg h MET 619 Ca 0.34 -0.18 0.01 0.00 -2.06 0.00 0.00 59.70 57.81 3kdg h MET 619 Cb -0.09 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 31.45 3kdg h MET 619 CO -0.07 0.71 0.61 0.93 1.06 0.00 0.00 176.91 180.16 3kdg h GLU 620 N 0.51 1.24 -0.58 1.72 5.08 -1.01 -2.45 114.58 119.09 3kdg h GLU 620 Ca 0.12 -0.08 -0.09 0.00 -1.00 0.00 0.00 59.36 58.31 3kdg h GLU 620 Cb 0.38 -0.28 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 3kdg h GLU 620 CO 0.01 0.83 -0.00 -0.22 -1.00 0.00 0.00 179.01 178.62 3kdg h LYS 621 N 1.27 1.02 -0.21 2.33 3.64 -0.96 -1.97 116.57 121.68 3kdg h LYS 621 Ca 0.34 -0.33 -0.07 0.00 -1.27 0.00 0.00 60.65 59.32 3kdg h LYS 621 Cb -0.13 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.58 3kdg h LYS 621 CO -0.07 1.01 -0.18 0.52 -2.27 0.00 0.00 179.45 178.47 3kdg h MET 622 N 0.91 0.37 0.00 1.90 2.86 -0.89 -2.88 114.93 117.19 3kdg h MET 622 Ca 0.16 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 3kdg h MET 622 Cb 0.56 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.18 3kdg h MET 622 CO 0.03 0.54 -0.57 1.19 1.06 0.00 0.00 176.91 179.15 3kdg n PHE 623 N -4.20 0.32 -1.24 -0.22 3.72 -0.95 -4.95 117.46 109.94 3kdg n PHE 623 Ca -0.00 0.09 -0.11 0.00 -0.05 0.00 0.00 57.45 57.38 3kdg n PHE 623 Cb 0.33 -0.50 -0.05 0.00 -0.94 0.00 0.00 39.48 38.33 3kdg n PHE 623 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3kdg n LYS 624 N -1.86 -1.52 0.04 -1.08 5.02 -0.75 -4.82 118.16 113.17 3kdg n LYS 624 Ca 0.04 0.75 -0.21 0.00 -2.02 0.00 0.00 58.31 56.88 3kdg n LYS 624 Cb 0.40 -4.95 -0.14 0.00 -0.02 0.00 0.00 35.03 30.32 3kdg n LYS 624 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 3kdg h ARG 625 N 0.00 0.28 -0.01 1.97 2.43 -1.90 -3.37 114.38 113.79 3kdg h ARG 625 Ca -0.23 -0.48 0.00 0.00 -0.81 0.00 0.00 59.98 58.46 3kdg h ARG 625 Cb 0.93 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 3kdg h ARG 625 CO 0.33 1.23 -0.28 1.33 -1.51 0.00 0.00 179.97 181.07 3kdg n VAL 626 N -4.04 0.00 -0.34 0.20 0.24 -1.26 -5.20 118.33 107.93 3kdg n VAL 626 Ca -0.18 -0.36 0.00 0.00 -2.04 0.00 0.00 64.34 61.76 3kdg n VAL 626 Cb 0.86 1.16 0.00 0.00 -1.47 0.00 0.00 33.84 34.39 3kdg n VAL 626 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92