#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pms n LYS 432 N 0.00 2.15 -0.57 4.33 5.02 -1.26 -4.52 118.16 123.31 1pms n LYS 432 Ca 0.00 -2.04 -0.10 0.00 -2.02 0.00 0.00 58.31 54.15 1pms n LYS 432 Cb 0.00 -1.92 0.10 0.00 -0.02 0.00 0.00 35.03 33.19 1pms n LYS 432 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1pms n GLN 433 N 0.58 1.71 0.14 1.97 6.02 -1.26 -4.38 117.38 122.15 1pms n GLN 433 Ca 0.41 -1.44 0.17 0.00 -0.01 0.00 0.00 57.00 56.14 1pms n GLN 433 Cb 0.57 -1.59 0.76 0.00 1.02 0.00 0.00 30.24 31.00 1pms n GLN 433 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1pms h LEU 434 N 1.08 0.00 0.13 1.08 3.38 -2.00 0.33 115.31 119.32 1pms h LEU 434 Ca 0.28 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.92 1pms h LEU 434 Cb 1.83 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.57 1pms h LEU 434 CO 0.50 0.00 -1.67 0.00 0.09 0.00 0.00 178.44 177.36 1pms h ALA 435 N 1.75 0.30 0.00 1.53 0.00 -1.99 -3.26 119.26 117.59 1pms h ALA 435 Ca 0.14 -1.18 0.00 0.00 0.00 0.00 0.00 54.91 53.86 1pms h ALA 435 Cb 0.65 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1pms h ALA 435 CO -0.00 1.16 0.00 -0.89 0.00 0.00 0.00 179.25 179.52 1pms n ILE 436 N -3.47 0.40 0.12 0.00 -0.00 -0.25 -2.56 119.36 113.60 1pms n ILE 436 Ca -0.21 0.10 -0.02 0.00 -0.00 0.00 0.00 62.75 62.62 1pms n ILE 436 Cb 1.05 -0.71 0.10 0.00 -0.00 0.00 0.00 39.64 40.09 1pms n ILE 436 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.55 177.05 1pms h LYS 437 N 0.00 0.00 0.38 0.38 3.11 -0.46 -3.06 116.57 116.93 1pms h LYS 437 Ca 0.00 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.82 1pms h LYS 437 Cb 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.61 1pms h LYS 437 CO 0.00 0.69 -0.18 -0.22 -2.81 0.00 0.00 179.45 176.93 1pms h LYS 438 N 0.00 -0.50 -1.01 1.90 1.63 -1.63 -2.12 116.57 114.85 1pms h LYS 438 Ca -0.01 0.03 0.35 0.00 -0.85 0.00 0.00 60.65 60.18 1pms h LYS 438 Cb 1.27 0.11 -0.16 0.00 -0.60 0.00 0.00 32.23 32.85 1pms h LYS 438 CO 0.09 -0.33 0.57 1.98 -3.45 0.00 0.00 179.45 178.31 1pms h MET 439 N -0.63 0.22 0.89 1.90 4.05 -1.69 0.35 114.93 120.02 1pms h MET 439 Ca -0.05 -0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.31 1pms h MET 439 Cb 0.39 -0.05 0.01 0.00 -0.80 0.00 0.00 31.60 31.15 1pms h MET 439 CO 0.09 0.14 -0.43 -0.91 0.23 0.00 0.00 176.91 176.03 1pms h ASN 440 N 0.23 -1.01 0.31 1.39 4.21 -1.41 0.70 115.58 119.98 1pms h ASN 440 Ca 0.77 0.03 0.00 0.00 1.21 0.00 0.00 56.30 58.31 1pms h ASN 440 Cb 1.86 0.26 0.00 0.00 -1.12 0.00 0.00 38.32 39.33 1pms h ASN 440 CO -0.65 -0.72 0.00 -0.62 -1.29 0.00 0.00 177.43 174.15 1pms n GLU 441 N -5.60 0.03 0.01 0.81 1.02 0.16 -1.66 120.64 115.40 1pms n GLU 441 Ca -0.16 0.31 -0.03 0.00 -0.02 0.00 0.00 57.16 57.25 1pms n GLU 441 Cb 0.48 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.29 1pms n GLU 441 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1pms n ILE 442 N -1.46 1.36 1.01 -3.67 5.41 1.00 -1.19 119.36 121.82 1pms n ILE 442 Ca 0.03 -0.73 0.11 0.00 1.00 0.00 0.00 62.75 63.15 1pms n ILE 442 Cb 0.11 -0.86 0.06 0.00 -0.71 0.00 0.00 39.64 38.24 1pms n ILE 442 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1pms n GLN 443 N -2.95 0.11 -0.03 0.38 1.13 0.13 -3.88 117.38 112.28 1pms n GLN 443 Ca -0.13 -0.08 -0.02 0.00 -1.94 0.00 0.00 57.00 54.83 1pms n GLN 443 Cb 0.93 -1.50 -0.05 0.00 0.11 0.00 0.00 30.24 29.73 1pms n GLN 443 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1pms n LYS 444 N -1.37 2.69 0.00 -1.09 4.76 -0.67 -2.51 118.16 119.97 1pms n LYS 444 Ca 0.05 -0.01 0.14 0.00 -2.87 0.00 0.00 58.31 55.63 1pms n LYS 444 Cb 0.34 -1.16 0.62 0.00 -1.84 0.00 0.00 35.03 32.99 1pms n LYS 444 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1pms n ASN 445 N -2.18 0.24 0.00 4.39 2.85 -0.33 -4.16 115.26 116.07 1pms n ASN 445 Ca -0.09 -0.21 0.00 0.00 -0.11 0.00 0.00 54.58 54.17 1pms n ASN 445 Cb 0.65 -0.19 0.00 0.00 1.24 0.00 0.00 39.78 41.48 1pms n ASN 445 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1pms n ILE 446 N -1.21 0.00 -4.54 -1.44 0.00 -1.25 -4.92 119.36 106.00 1pms n ILE 446 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 62.75 62.87 1pms n ILE 446 Cb 0.28 0.49 0.00 0.00 0.00 0.00 0.00 39.64 40.41 1pms n ILE 446 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1pms n ASP 447 N 0.00 0.00 -3.34 9.51 -0.08 -1.04 -4.58 116.55 117.02 1pms n ASP 447 Ca 0.00 0.00 -0.14 0.00 -1.51 0.00 0.00 54.79 53.14 1pms n ASP 447 Cb 0.28 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.67 1pms n ASP 447 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1pms s GLY 448 N -0.73 -0.25 0.22 0.27 0.00 -1.26 -4.23 107.32 101.35 1pms s GLY 448 Ca 0.00 -0.59 0.03 0.00 0.00 0.00 0.00 44.72 44.17 1pms s GLY 448 CO 0.00 2.87 0.22 -2.67 0.00 0.00 0.00 173.10 173.52 1pms n TRP 449 N 4.57 -0.68 -3.09 1.90 2.14 -1.26 -4.93 117.44 116.08 1pms n TRP 449 Ca 0.08 -1.78 -0.24 0.00 2.07 0.00 0.00 57.50 57.63 1pms n TRP 449 Cb 0.47 0.24 -0.04 0.00 -0.81 0.00 0.00 31.31 31.17 1pms n TRP 449 CO 0.00 0.00 0.00 -1.91 2.07 0.00 0.00 177.69 177.85 1pms n GLU 450 N -0.41 2.20 0.09 -2.67 2.13 -1.25 -4.52 120.64 116.20 1pms n GLU 450 Ca 0.04 -4.21 0.00 0.00 0.66 0.00 0.00 57.16 53.65 1pms n GLU 450 Cb 0.40 -1.98 0.00 0.00 0.27 0.00 0.00 31.44 30.13 1pms n GLU 450 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1pms n GLY 451 N 0.16 -0.18 2.74 8.31 0.00 -1.26 -4.94 105.19 110.01 1pms n GLY 451 Ca 0.28 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.22 1pms n GLY 451 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pms n LYS 452 N -3.28 0.73 0.00 1.61 4.76 -1.26 -4.82 118.16 115.90 1pms n LYS 452 Ca 0.00 -1.63 0.00 0.00 -2.87 0.00 0.00 58.31 53.81 1pms n LYS 452 Cb 0.04 -1.23 0.00 0.00 -1.84 0.00 0.00 35.03 32.00 1pms n LYS 452 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1pms n ASP 453 N 1.40 -0.58 0.00 4.39 9.92 -1.26 -4.95 116.55 125.46 1pms n ASP 453 Ca 0.07 -0.30 0.00 0.00 -0.53 0.00 0.00 54.79 54.03 1pms n ASP 453 Cb 0.65 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.13 1pms n ASP 453 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 1pms n ILE 454 N -1.67 0.00 0.00 0.53 2.08 -1.26 -4.38 119.36 114.65 1pms n ILE 454 Ca 0.00 1.44 0.00 0.00 0.56 0.00 0.00 62.75 64.75 1pms n ILE 454 Cb 0.00 -2.36 0.00 0.00 -0.75 0.00 0.00 39.64 36.53 1pms n ILE 454 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1pms n GLY 455 N -0.95 2.05 0.32 7.39 0.00 -1.26 -4.56 105.19 108.17 1pms n GLY 455 Ca 0.00 -0.21 0.17 0.00 0.00 0.00 0.00 46.02 45.98 1pms n GLY 455 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1pms h GLN 456 N 0.00 0.15 0.00 1.61 4.15 -1.99 -3.26 115.11 115.78 1pms h GLN 456 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1pms h GLN 456 Cb 0.00 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.66 1pms h GLN 456 CO 0.00 0.10 0.00 0.00 -1.93 0.00 0.00 178.83 177.00 1pms n ASN 459 N 4.18 0.00 -0.07 0.00 2.85 -1.26 -4.78 115.26 116.18 1pms n ASN 459 Ca 0.10 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.57 1pms n ASN 459 Cb 0.59 0.05 0.00 0.00 1.24 0.00 0.00 39.78 41.65 1pms n ASN 459 CO 0.00 0.00 0.00 -1.84 -2.11 0.00 0.00 177.26 173.31 1pms n GLU 460 N -1.05 0.00 -0.69 1.20 0.28 -1.26 -3.80 120.64 115.32 1pms n GLU 460 Ca 0.00 0.00 0.07 0.00 -0.16 0.00 0.00 57.16 57.07 1pms n GLU 460 Cb 0.00 0.00 0.33 0.00 1.43 0.00 0.00 31.44 33.20 1pms n GLU 460 CO 0.00 0.00 0.00 1.97 -0.16 0.00 0.00 177.13 178.94 1pms n PHE 461 N -0.13 1.54 -0.19 -1.84 1.16 -1.26 -4.29 117.46 112.44 1pms n PHE 461 Ca 0.00 -0.83 -0.09 0.00 -1.87 0.00 0.00 57.45 54.66 1pms n PHE 461 Cb 0.00 -0.43 -0.07 0.00 -1.61 0.00 0.00 39.48 37.37 1pms n PHE 461 CO 0.00 0.00 0.00 0.82 -1.87 0.00 0.00 176.76 175.71 1pms h ILE 462 N 2.85 0.00 -2.05 1.97 1.08 -1.79 -3.34 117.51 116.23 1pms h ILE 462 Ca 0.01 0.00 -0.52 0.00 -0.39 0.00 0.00 64.86 63.96 1pms h ILE 462 Cb 1.74 0.00 -0.35 0.00 -3.07 0.00 0.00 36.82 35.14 1pms h ILE 462 CO 0.37 0.00 -0.94 0.23 -0.69 0.00 0.00 178.15 177.13 1pms n MET 463 N -4.55 0.36 -3.95 2.37 2.81 -1.01 -4.76 117.12 108.38 1pms n MET 463 Ca -0.01 -3.01 -0.31 0.00 -1.81 0.00 0.00 57.70 52.57 1pms n MET 463 Cb 0.21 -1.54 -0.15 0.00 -0.71 0.00 0.00 33.22 31.03 1pms n MET 463 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1pms s GLU 464 N -0.10 1.36 0.00 0.03 0.41 -1.26 -0.40 118.70 118.74 1pms s GLU 464 Ca 0.33 -1.77 0.00 0.00 -0.41 0.00 0.00 54.97 53.12 1pms s GLU 464 Cb 0.07 -2.96 0.00 0.00 -1.78 0.00 0.00 34.13 29.46 1pms s GLU 464 CO -0.17 -0.96 0.00 0.41 -0.49 0.00 0.00 175.26 174.05 1pms n GLY 465 N 4.28 -1.02 3.04 -1.39 0.00 -1.09 -3.84 105.19 105.18 1pms n GLY 465 Ca 0.03 0.68 -0.13 0.00 0.00 0.00 0.00 46.02 46.60 1pms n GLY 465 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pms s THR 466 N 1.74 -0.03 -0.00 2.61 -4.23 -1.26 -2.43 115.64 112.04 1pms s THR 466 Ca 0.00 0.10 -0.11 0.00 -1.18 0.00 0.00 61.69 60.50 1pms s THR 466 Cb 0.00 -0.32 0.01 0.00 1.34 0.00 0.00 72.50 73.53 1pms s THR 466 CO 0.00 0.04 0.23 -0.22 -0.54 0.00 0.00 174.62 174.13 1pms s LEU 467 N 0.83 1.17 0.00 4.79 1.98 -1.18 -4.51 118.68 121.76 1pms s LEU 467 Ca -0.06 -0.07 0.00 0.00 -2.89 0.00 0.00 54.13 51.11 1pms s LEU 467 Cb -0.07 1.01 0.00 0.00 0.66 0.00 0.00 46.19 47.79 1pms s LEU 467 CO -0.05 -0.43 0.00 1.07 -1.89 0.00 0.00 176.35 175.05 1pms n THR 468 N 1.28 0.00 -1.95 3.68 5.66 -0.34 -3.09 114.28 119.52 1pms n THR 468 Ca -0.22 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.50 1pms n THR 468 Cb 0.56 -0.48 0.03 0.00 -1.55 0.00 0.00 70.33 68.89 1pms n THR 468 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1pms n ARG 469 N -0.37 3.29 -1.61 1.09 5.12 -1.26 -1.82 116.66 121.09 1pms n ARG 469 Ca 0.00 -3.98 -0.03 0.00 -1.93 0.00 0.00 57.85 51.92 1pms n ARG 469 Cb 0.00 -2.28 -0.01 0.00 -1.16 0.00 0.00 32.46 29.02 1pms n ARG 469 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1pms n VAL 470 N -0.69 -0.05 -2.67 1.55 0.31 -1.25 -4.51 118.33 111.02 1pms n VAL 470 Ca 0.48 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.77 1pms n VAL 470 Cb 0.76 -0.29 0.08 0.00 -0.91 0.00 0.00 33.84 33.49 1pms n VAL 470 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1pms n GLY 471 N -0.24 -1.01 3.05 2.92 0.00 -1.26 -4.98 105.19 103.66 1pms n GLY 471 Ca -0.03 0.55 -0.12 0.00 0.00 0.00 0.00 46.02 46.42 1pms n GLY 471 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pms s ALA 472 N 0.07 -0.41 -1.63 4.61 0.00 -1.26 -5.01 121.76 118.13 1pms s ALA 472 Ca 0.17 0.44 0.06 0.00 0.00 0.00 0.00 51.96 52.63 1pms s ALA 472 Cb 0.25 -0.26 0.20 0.00 0.00 0.00 0.00 23.12 23.32 1pms s ALA 472 CO -0.14 -0.08 1.07 1.63 0.00 0.00 0.00 175.76 178.23 1pms n LYS 473 N 2.92 1.68 -2.80 0.00 5.02 -1.26 -4.55 118.16 119.18 1pms n LYS 473 Ca -0.13 -0.81 0.03 0.00 -2.02 0.00 0.00 58.31 55.38 1pms n LYS 473 Cb 0.59 -1.33 0.01 0.00 -0.02 0.00 0.00 35.03 34.27 1pms n LYS 473 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1pms s HIS 474 N -1.65 -0.02 0.00 2.13 5.04 -1.26 -5.16 115.29 114.36 1pms s HIS 474 Ca 0.15 0.01 0.00 0.00 -1.54 0.00 0.00 55.06 53.67 1pms s HIS 474 Cb 0.09 0.00 0.00 0.00 0.04 0.00 0.00 32.58 32.71 1pms s HIS 474 CO 0.08 -0.01 0.00 -0.85 -2.34 0.00 0.00 174.74 171.62 1pms n GLU 475 N 3.95 -0.09 -4.01 2.88 0.00 -1.26 -5.04 120.64 117.06 1pms n GLU 475 Ca 0.06 0.00 -0.09 0.00 0.00 0.00 0.00 57.16 57.13 1pms n GLU 475 Cb 0.63 0.00 -0.09 0.00 0.00 0.00 0.00 31.44 31.99 1pms n GLU 475 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 1pms s ARG 476 N -1.45 0.88 -0.33 3.44 0.52 -1.18 -5.00 118.95 115.83 1pms s ARG 476 Ca 0.00 -1.19 -0.28 0.00 -0.52 0.00 0.00 55.73 53.74 1pms s ARG 476 Cb 0.00 0.29 -0.04 0.00 0.52 0.00 0.00 34.95 35.72 1pms s ARG 476 CO 0.00 -0.26 2.12 -1.01 0.02 0.00 0.00 175.30 176.17 1pms s HIS 477 N -3.95 1.35 0.32 -0.53 3.76 0.22 -3.10 115.29 113.37 1pms s HIS 477 Ca 0.13 0.78 0.01 0.00 -0.15 0.00 0.00 55.06 55.83 1pms s HIS 477 Cb 0.06 -3.93 -0.03 0.00 1.11 0.00 0.00 32.58 29.79 1pms s HIS 477 CO -0.05 -3.35 0.51 0.42 -0.85 0.00 0.00 174.74 171.42 1pms s ILE 478 N 8.75 5.13 -0.07 0.60 -1.09 -1.02 0.84 121.20 134.34 1pms s ILE 478 Ca 0.92 -0.54 -0.04 0.00 -2.23 0.00 0.00 60.65 58.76 1pms s ILE 478 Cb -0.26 -3.86 0.03 0.00 -1.58 0.00 0.00 42.46 36.80 1pms s ILE 478 CO 0.32 -0.51 0.17 -0.36 -1.23 0.00 0.00 174.94 173.33 1pms s PHE 479 N -2.24 -0.20 -0.20 3.97 0.08 -0.87 -2.69 117.98 115.83 1pms s PHE 479 Ca 0.39 0.51 -0.05 0.00 0.12 0.00 0.00 56.93 57.91 1pms s PHE 479 Cb -0.10 -0.01 0.10 0.00 -0.57 0.00 0.00 43.02 42.45 1pms s PHE 479 CO 0.35 -0.15 0.36 -1.17 -0.10 0.00 0.00 175.22 174.51 1pms s LEU 480 N 0.80 -0.55 -0.14 -0.37 0.20 0.47 0.11 118.68 119.19 1pms s LEU 480 Ca -0.06 0.58 -0.19 0.00 0.69 0.00 0.00 54.13 55.15 1pms s LEU 480 Cb -0.08 1.09 -0.04 0.00 -0.43 0.00 0.00 46.19 46.74 1pms s LEU 480 CO -0.04 -0.26 0.51 0.12 -0.29 0.00 0.00 176.35 176.39 1pms s PHE 481 N 2.54 3.47 0.06 5.38 5.36 0.16 -2.42 117.98 132.53 1pms s PHE 481 Ca 0.04 0.88 0.01 0.00 -0.96 0.00 0.00 56.93 56.91 1pms s PHE 481 Cb -0.13 -2.61 0.17 0.00 -0.34 0.00 0.00 43.02 40.10 1pms s PHE 481 CO -0.13 0.07 0.28 -0.40 -1.46 0.00 0.00 175.22 173.58 1pms n ASP 482 N 4.07 0.01 -0.05 6.13 5.68 -1.26 0.19 116.55 131.31 1pms n ASP 482 Ca -0.06 0.31 -0.16 0.00 -0.50 0.00 0.00 54.79 54.38 1pms n ASP 482 Cb 0.51 -0.12 -0.14 0.00 -1.14 0.00 0.00 41.12 40.23 1pms n ASP 482 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pms n GLY 483 N -1.08 -0.66 3.89 6.12 0.00 -1.23 -4.45 105.19 107.78 1pms n GLY 483 Ca 0.05 -0.21 -0.26 0.00 0.00 0.00 0.00 46.02 45.59 1pms n GLY 483 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pms s LEU 484 N -6.48 4.14 0.04 0.99 0.20 0.50 -1.03 118.68 117.03 1pms s LEU 484 Ca -0.20 0.07 0.06 0.00 0.69 0.00 0.00 54.13 54.75 1pms s LEU 484 Cb 0.07 -2.73 -0.03 0.00 -0.43 0.00 0.00 46.19 43.07 1pms s LEU 484 CO 0.75 0.07 -0.16 -0.32 -0.29 0.00 0.00 176.35 176.40 1pms s MET 485 N -3.14 2.16 0.11 1.98 -2.45 -0.59 0.40 119.30 117.76 1pms s MET 485 Ca 0.33 -0.94 -0.13 0.00 -1.25 0.00 0.00 55.69 53.70 1pms s MET 485 Cb -0.11 -2.25 0.02 0.00 1.25 0.00 0.00 34.83 33.74 1pms s MET 485 CO 0.27 0.55 0.31 0.42 1.05 0.00 0.00 175.02 177.61 1pms s ILE 486 N -0.96 0.10 -0.05 10.11 1.01 0.30 -1.68 121.20 130.04 1pms s ILE 486 Ca 0.15 -0.83 -0.16 0.00 0.00 0.00 0.00 60.65 59.81 1pms s ILE 486 Cb -0.11 -1.24 0.03 0.00 0.01 0.00 0.00 42.46 41.16 1pms s ILE 486 CO 0.06 -0.46 0.36 0.00 0.00 0.00 0.00 174.94 174.90 1pms n LYS 489 N 0.87 0.00 -0.39 0.00 4.81 -1.26 0.69 118.16 122.88 1pms n LYS 489 Ca -0.20 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.29 1pms n LYS 489 Cb 0.58 -0.18 -0.02 0.00 0.02 0.00 0.00 35.03 35.43 1pms n LYS 489 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1pms n SER 490 N -2.13 -2.36 -2.51 3.14 2.88 -1.26 -4.65 113.62 106.73 1pms n SER 490 Ca 0.00 0.25 -0.14 0.00 -1.33 0.00 0.00 58.87 57.66 1pms n SER 490 Cb 0.00 -1.25 0.05 0.00 -0.75 0.00 0.00 64.21 62.26 1pms n SER 490 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1pms n ASN 491 N -2.73 -3.72 -0.26 -3.46 4.05 -1.26 -4.86 115.26 103.01 1pms n ASN 491 Ca -0.01 -0.36 0.03 0.00 0.45 0.00 0.00 54.58 54.69 1pms n ASN 491 Cb 0.18 -3.42 0.16 0.00 1.23 0.00 0.00 39.78 37.93 1pms n ASN 491 CO 0.00 0.00 0.00 -0.74 -3.05 0.00 0.00 177.26 173.47 1pms h HIS 492 N -1.53 0.68 0.00 1.20 2.76 -1.96 -3.48 115.15 112.81 1pms h HIS 492 Ca -0.37 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 57.83 1pms h HIS 492 Cb 1.23 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 30.00 1pms h HIS 492 CO 0.30 0.22 0.00 0.41 -1.30 0.00 0.00 177.93 177.57 1pms n GLY 493 N -1.31 -0.00 3.26 5.26 0.00 -1.26 -4.92 105.19 106.21 1pms n GLY 493 Ca 0.13 -1.48 -0.41 0.00 0.00 0.00 0.00 46.02 44.25 1pms n GLY 493 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1pms s GLN 494 N -4.63 2.61 0.00 1.61 -0.21 -1.26 -4.99 119.66 112.79 1pms s GLN 494 Ca 0.00 -1.60 0.00 0.00 0.02 0.00 0.00 55.36 53.78 1pms s GLN 494 Cb 0.00 -3.91 0.00 0.00 1.00 0.00 0.00 33.01 30.10 1pms s GLN 494 CO 0.00 -1.09 0.00 -0.35 -2.12 0.00 0.00 175.29 171.73 1pms n PRO 495 N 4.96 0.00 -0.06 2.91 -0.04 -1.26 -4.78 135.00 136.73 1pms n PRO 495 Ca -0.10 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.20 1pms n PRO 495 Cb 0.42 -0.06 -0.13 0.00 -0.04 0.00 0.00 33.50 33.69 1pms n PRO 495 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pms h ARG 496 N 0.00 0.03 -1.39 0.54 3.08 -2.04 -3.49 114.38 111.11 1pms h ARG 496 Ca 0.00 -0.05 0.13 0.00 0.07 0.00 0.00 59.98 60.13 1pms h ARG 496 Cb 0.00 0.02 -0.25 0.00 0.08 0.00 0.00 29.97 29.82 1pms h ARG 496 CO 0.00 1.02 0.67 -0.48 -1.07 0.00 0.00 179.97 180.12 1pms s LEU 497 N -8.11 -0.26 0.65 3.04 2.34 -1.26 -5.16 118.68 109.91 1pms s LEU 497 Ca -0.20 0.32 -0.11 0.00 0.06 0.00 0.00 54.13 54.20 1pms s LEU 497 Cb -0.01 1.60 -0.02 0.00 -0.56 0.00 0.00 46.19 47.21 1pms s LEU 497 CO 0.69 -0.22 1.04 -2.16 -1.06 0.00 0.00 176.35 174.64 1pms s PRO 498 N -0.91 3.30 0.00 1.48 0.04 -1.26 -4.18 135.00 133.48 1pms s PRO 498 Ca 0.02 0.86 0.00 0.00 0.04 0.00 0.00 61.00 61.92 1pms s PRO 498 Cb -0.01 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.49 1pms s PRO 498 CO -0.03 -0.81 0.00 0.41 0.04 0.00 0.00 177.00 176.61 1pms n GLY 499 N -2.34 2.00 0.27 0.56 0.00 -1.26 -4.93 105.19 99.48 1pms n GLY 499 Ca 0.07 -0.18 -0.04 0.00 0.00 0.00 0.00 46.02 45.87 1pms n GLY 499 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pms h ALA 500 N 0.00 0.14 -3.53 4.61 0.00 -2.05 -3.41 119.26 115.02 1pms h ALA 500 Ca 0.00 0.17 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1pms h ALA 500 Cb 0.00 0.53 0.02 0.00 0.00 0.00 0.00 17.79 18.34 1pms h ALA 500 CO 0.00 -0.55 0.04 0.43 0.00 0.00 0.00 179.25 179.16 1pms n SER 501 N -5.40 0.11 -0.02 0.00 7.64 -1.26 -5.06 113.62 109.63 1pms n SER 501 Ca 0.04 -1.12 -0.04 0.00 1.01 0.00 0.00 58.87 58.76 1pms n SER 501 Cb 0.31 -0.12 -0.01 0.00 -1.01 0.00 0.00 64.21 63.38 1pms n SER 501 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1pms n SER 502 N -3.05 0.53 -4.55 6.43 7.64 -1.26 -4.94 113.62 114.41 1pms n SER 502 Ca 0.02 0.04 -0.43 0.00 1.01 0.00 0.00 58.87 59.51 1pms n SER 502 Cb 0.08 -0.10 -0.04 0.00 -1.01 0.00 0.00 64.21 63.14 1pms n SER 502 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pms s ALA 503 N -2.06 3.24 -0.11 -0.43 0.00 -1.26 -5.02 121.76 116.11 1pms s ALA 503 Ca -0.05 -0.92 -0.12 0.00 0.00 0.00 0.00 51.96 50.87 1pms s ALA 503 Cb 0.02 -3.61 -0.05 0.00 0.00 0.00 0.00 23.12 19.48 1pms s ALA 503 CO 0.06 -2.08 0.26 -1.21 0.00 0.00 0.00 175.76 172.79 1pms s GLU 504 N 3.67 3.92 0.28 0.00 0.41 -1.26 -4.89 118.70 120.83 1pms s GLU 504 Ca 0.34 0.08 0.00 0.00 -0.41 0.00 0.00 54.97 54.98 1pms s GLU 504 Cb -0.11 -3.30 0.00 0.00 -1.78 0.00 0.00 34.13 28.94 1pms s GLU 504 CO 0.24 0.52 0.00 0.66 -0.49 0.00 0.00 175.26 176.19 1pms n TYR 505 N 2.66 -2.66 -1.49 1.61 4.01 -1.26 -4.92 117.16 115.10 1pms n TYR 505 Ca -0.15 1.41 0.06 0.00 -0.16 0.00 0.00 57.90 59.05 1pms n TYR 505 Cb 0.53 -2.59 -0.01 0.00 -0.31 0.00 0.00 39.34 36.96 1pms n TYR 505 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1pms n ARG 506 N -0.57 -0.83 -2.33 -0.72 1.74 -1.26 -4.95 116.66 107.73 1pms n ARG 506 Ca 0.00 0.55 -0.00 0.00 -0.77 0.00 0.00 57.85 57.62 1pms n ARG 506 Cb 0.00 -1.01 0.00 0.00 -1.02 0.00 0.00 32.46 30.43 1pms n ARG 506 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1pms n LEU 507 N 0.00 -6.09 0.00 0.55 4.32 -1.26 -4.75 117.00 109.76 1pms n LEU 507 Ca 0.00 0.93 0.00 0.00 -0.02 0.00 0.00 56.01 56.93 1pms n LEU 507 Cb 0.19 -2.60 0.00 0.00 -1.62 0.00 0.00 43.42 39.39 1pms n LEU 507 CO 0.00 -2.15 0.00 1.17 -1.22 0.00 0.00 177.39 175.19 1pms n LYS 508 N 0.42 0.00 -4.23 3.23 3.00 -1.20 -4.94 118.16 114.44 1pms n LYS 508 Ca 0.01 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.19 1pms n LYS 508 Cb 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 35.03 34.95 1pms n LYS 508 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 1pms s GLU 509 N 0.00 1.13 0.08 1.64 -1.05 -1.15 -5.03 118.70 114.32 1pms s GLU 509 Ca 0.00 -1.56 -0.13 0.00 -0.15 0.00 0.00 54.97 53.13 1pms s GLU 509 Cb 0.00 -0.12 0.02 0.00 -0.44 0.00 0.00 34.13 33.58 1pms s GLU 509 CO 0.00 -0.20 0.29 -1.59 0.95 0.00 0.00 175.26 174.71 1pms s LYS 510 N -3.98 0.89 0.00 -4.83 0.00 -1.26 -1.55 119.74 109.01 1pms s LYS 510 Ca 0.27 -0.72 0.00 0.00 0.00 0.00 0.00 55.97 55.52 1pms s LYS 510 Cb 0.07 0.38 0.00 0.00 0.00 0.00 0.00 37.83 38.28 1pms s LYS 510 CO 0.06 -0.31 0.00 1.19 0.00 0.00 0.00 175.35 176.29 1pms n PHE 511 N 0.14 -0.47 -3.77 1.78 3.01 -0.67 -4.96 117.46 112.51 1pms n PHE 511 Ca -0.17 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 57.93 1pms n PHE 511 Cb 0.62 0.00 -0.12 0.00 -0.01 0.00 0.00 39.48 39.97 1pms n PHE 511 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1pms s PHE 512 N -5.30 3.50 -0.99 1.38 0.40 -1.26 -1.54 117.98 114.17 1pms s PHE 512 Ca 0.00 -2.20 -0.17 0.00 -0.60 0.00 0.00 56.93 53.96 1pms s PHE 512 Cb 0.00 -3.01 0.15 0.00 0.51 0.00 0.00 43.02 40.67 1pms s PHE 512 CO 0.00 -0.93 1.17 1.41 0.70 0.00 0.00 175.22 177.57 1pms s MET 513 N 1.20 3.72 0.00 0.44 1.75 -0.20 -4.47 119.30 121.74 1pms s MET 513 Ca 0.05 -2.03 0.00 0.00 -1.25 0.00 0.00 55.69 52.46 1pms s MET 513 Cb -0.22 -4.91 0.00 0.00 2.84 0.00 0.00 34.83 32.54 1pms s MET 513 CO -0.03 -1.72 0.00 2.89 -0.65 0.00 0.00 175.02 175.51 1pms n ARG 514 N 6.07 0.00 -1.34 4.11 0.00 -1.24 -3.52 116.66 120.75 1pms n ARG 514 Ca 0.26 0.00 -0.19 0.00 -0.00 0.00 0.00 57.85 57.92 1pms n ARG 514 Cb 0.47 -0.43 0.11 0.00 -0.00 0.00 0.00 32.46 32.62 1pms n ARG 514 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 1pms n LYS 515 N -1.04 2.61 -2.79 2.89 -0.00 -1.26 -4.96 118.16 113.61 1pms n LYS 515 Ca 0.00 -3.52 -0.26 0.00 -0.00 0.00 0.00 58.31 54.53 1pms n LYS 515 Cb 0.00 -2.09 -0.00 0.00 -0.00 0.00 0.00 35.03 32.94 1pms n LYS 515 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 1pms s VAL 516 N -4.05 4.82 -0.17 0.58 -7.23 -1.26 -4.50 120.40 108.59 1pms s VAL 516 Ca 0.52 0.01 -0.06 0.00 -1.81 0.00 0.00 61.98 60.64 1pms s VAL 516 Cb 0.44 -3.82 0.08 0.00 0.56 0.00 0.00 36.38 33.64 1pms s VAL 516 CO 0.01 -0.74 0.35 -1.10 -0.31 0.00 0.00 175.10 173.32 1pms s GLN 517 N -4.66 0.25 0.04 4.82 -0.21 -1.25 -4.87 119.66 113.77 1pms s GLN 517 Ca 0.46 0.92 -0.19 0.00 0.02 0.00 0.00 55.36 56.57 1pms s GLN 517 Cb -0.10 0.18 -0.06 0.00 1.00 0.00 0.00 33.01 34.02 1pms s GLN 517 CO 0.43 -0.27 0.55 -1.50 -2.12 0.00 0.00 175.29 172.38 1pms s ILE 518 N 2.53 4.83 -0.47 1.08 2.07 -1.26 -2.61 121.20 127.38 1pms s ILE 518 Ca -0.00 1.16 0.04 0.00 -1.41 0.00 0.00 60.65 60.43 1pms s ILE 518 Cb -0.12 -3.88 0.12 0.00 0.13 0.00 0.00 42.46 38.72 1pms s ILE 518 CO -0.11 0.52 0.21 0.20 -1.91 0.00 0.00 174.94 173.85 1pms s ASN 519 N -0.83 4.50 1.06 4.50 -0.87 -0.68 -4.93 114.94 117.68 1pms s ASN 519 Ca 0.29 -2.75 -0.21 0.00 -1.57 0.00 0.00 52.86 48.62 1pms s ASN 519 Cb -0.19 -1.65 -0.01 0.00 -0.02 0.00 0.00 41.25 39.39 1pms s ASN 519 CO 0.17 -0.28 -0.46 -0.90 -2.57 0.00 0.00 177.10 173.06 1pms n ASP 520 N 3.47 -2.80 0.00 -1.22 5.68 -1.26 -2.98 116.55 117.43 1pms n ASP 520 Ca 0.05 -0.01 0.00 0.00 -0.50 0.00 0.00 54.79 54.32 1pms n ASP 520 Cb 0.35 -0.84 0.00 0.00 -1.14 0.00 0.00 41.12 39.49 1pms n ASP 520 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1pms n LYS 521 N -0.38 0.00 -3.28 0.11 5.02 -1.26 -4.82 118.16 113.54 1pms n LYS 521 Ca 0.00 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.05 1pms n LYS 521 Cb 0.65 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.58 1pms n LYS 521 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1pms n ASP 522 N -1.15 -0.37 -4.76 4.39 8.00 -1.26 -5.11 116.55 116.29 1pms n ASP 522 Ca 0.00 -2.53 -0.41 0.00 0.71 0.00 0.00 54.79 52.56 1pms n ASP 522 Cb 0.00 -0.47 -0.02 0.00 -0.02 0.00 0.00 41.12 40.61 1pms n ASP 522 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1pms s ASP 523 N -0.44 6.51 -0.03 -2.24 1.01 -1.26 -4.84 116.67 115.37 1pms s ASP 523 Ca 0.34 2.84 0.01 0.00 0.71 0.00 0.00 52.55 56.45 1pms s ASP 523 Cb 0.09 -2.64 0.01 0.00 1.01 0.00 0.00 42.92 41.40 1pms s ASP 523 CO -0.16 -0.79 -0.05 0.42 0.21 0.00 0.00 175.17 174.80 1pms s THR 524 N -0.34 0.53 0.60 -1.27 -4.23 -0.65 -4.98 115.64 105.30 1pms s THR 524 Ca 0.58 -0.17 0.27 0.00 -1.18 0.00 0.00 61.69 61.19 1pms s THR 524 Cb -0.45 -0.52 0.38 0.00 1.34 0.00 0.00 72.50 73.25 1pms s THR 524 CO 0.50 0.20 1.55 0.28 -0.54 0.00 0.00 174.62 176.61 1pms h SER 525 N 6.80 0.00 0.12 3.99 0.02 -2.05 0.30 113.55 122.73 1pms h SER 525 Ca -0.36 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.58 1pms h SER 525 Cb 1.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.70 1pms h SER 525 CO 0.48 0.00 -0.06 -0.33 -1.14 0.00 0.00 176.83 175.78 1pms h GLU 526 N 0.00 -0.16 0.00 3.45 5.08 -2.00 -3.49 114.58 117.46 1pms h GLU 526 Ca 0.36 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.78 1pms h GLU 526 Cb 2.15 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 31.43 1pms h GLU 526 CO -0.00 0.32 0.20 2.48 -1.00 0.00 0.00 179.01 181.01 1pms n TYR 527 N -4.88 -0.99 -2.89 4.33 4.11 0.10 -5.19 117.16 111.76 1pms n TYR 527 Ca -0.08 -0.53 0.00 0.00 -0.00 0.00 0.00 57.90 57.30 1pms n TYR 527 Cb 0.28 0.26 0.00 0.00 -0.00 0.00 0.00 39.34 39.87 1pms n TYR 527 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 1pms n LYS 528 N -0.26 0.00 0.00 -3.48 4.01 -1.26 -1.63 118.16 115.53 1pms n LYS 528 Ca -0.01 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.79 1pms n LYS 528 Cb 0.22 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.74 1pms n LYS 528 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 1pms n HIS 529 N 0.00 0.00 -1.74 2.13 8.25 -1.26 -5.03 115.22 117.57 1pms n HIS 529 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1pms n HIS 529 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1pms n HIS 529 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1pms n ALA 530 N -1.61 0.00 -3.28 -1.41 0.00 -1.26 -4.54 120.51 108.41 1pms n ALA 530 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 1pms n ALA 530 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 1pms n ALA 530 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1pms s PHE 531 N -0.42 -0.26 -0.37 0.00 0.08 -1.10 -4.35 117.98 111.57 1pms s PHE 531 Ca 0.00 0.42 0.01 0.00 0.12 0.00 0.00 56.93 57.48 1pms s PHE 531 Cb 0.00 0.14 0.10 0.00 -0.57 0.00 0.00 43.02 42.69 1pms s PHE 531 CO 0.00 -0.41 0.11 -1.21 -0.10 0.00 0.00 175.22 173.62 1pms s GLU 532 N -1.22 1.74 0.44 0.44 2.02 -1.16 -2.78 118.70 118.19 1pms s GLU 532 Ca -0.12 -1.83 -0.03 0.00 0.02 0.00 0.00 54.97 53.00 1pms s GLU 532 Cb -0.04 -3.37 -0.03 0.00 0.10 0.00 0.00 34.13 30.79 1pms s GLU 532 CO 0.05 -0.98 0.71 0.42 0.02 0.00 0.00 175.26 175.47 1pms s ILE 533 N 1.02 4.86 0.05 -1.63 1.09 -0.88 -1.69 121.20 124.01 1pms s ILE 533 Ca 0.09 -0.06 0.03 0.00 -1.10 0.00 0.00 60.65 59.61 1pms s ILE 533 Cb -0.21 -3.82 -0.03 0.00 -1.06 0.00 0.00 42.46 37.35 1pms s ILE 533 CO -0.06 -0.71 -0.10 -0.63 -0.10 0.00 0.00 174.94 173.34 1pms s ILE 534 N -2.61 0.77 0.45 2.92 1.01 -1.07 0.35 121.20 123.02 1pms s ILE 534 Ca 0.45 -1.15 -0.04 0.00 0.00 0.00 0.00 60.65 59.92 1pms s ILE 534 Cb -0.10 -0.79 -0.03 0.00 0.01 0.00 0.00 42.46 41.54 1pms s ILE 534 CO 0.42 -0.30 0.72 -0.76 0.00 0.00 0.00 174.94 175.02 1pms s LEU 535 N -1.60 3.72 -0.16 2.97 1.43 -0.75 -3.91 118.68 120.38 1pms s LEU 535 Ca -0.06 0.79 0.13 0.00 -1.03 0.00 0.00 54.13 53.95 1pms s LEU 535 Cb -0.10 -3.71 0.65 0.00 0.03 0.00 0.00 46.19 43.06 1pms s LEU 535 CO 0.01 -0.51 1.51 0.29 0.23 0.00 0.00 176.35 177.88 1pms n LYS 536 N -2.14 3.86 -0.07 1.70 4.76 -1.26 -4.24 118.16 120.77 1pms n LYS 536 Ca -0.01 -2.51 -0.15 0.00 -2.87 0.00 0.00 58.31 52.77 1pms n LYS 536 Cb 0.55 -2.00 -0.05 0.00 -1.84 0.00 0.00 35.03 31.69 1pms n LYS 536 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1pms n ASP 537 N 0.67 1.08 0.00 4.39 -0.08 -1.26 -5.02 116.55 116.33 1pms n ASP 537 Ca 0.22 0.18 0.00 0.00 -1.51 0.00 0.00 54.79 53.69 1pms n ASP 537 Cb 0.93 -0.44 0.00 0.00 2.34 0.00 0.00 41.12 43.95 1pms n ASP 537 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1pms n GLY 538 N 2.09 0.00 0.64 0.27 0.00 -1.26 -5.17 105.19 101.77 1pms n GLY 538 Ca -0.28 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.70 1pms n GLY 538 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1pms n ASN 539 N 0.00 0.22 -3.72 1.61 4.13 -1.26 -5.02 115.26 111.21 1pms n ASN 539 Ca 0.00 -1.43 -0.15 0.00 1.68 0.00 0.00 54.58 54.68 1pms n ASN 539 Cb 0.00 0.29 -0.15 0.00 -1.54 0.00 0.00 39.78 38.38 1pms n ASN 539 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1pms s SER 540 N -1.47 0.23 -1.22 6.41 0.01 -1.26 -1.81 113.70 114.58 1pms s SER 540 Ca 0.07 0.30 -0.09 0.00 1.31 0.00 0.00 55.95 57.54 1pms s SER 540 Cb 0.00 0.20 0.20 0.00 0.21 0.00 0.00 66.02 66.64 1pms s SER 540 CO 0.05 -0.18 1.71 0.52 0.41 0.00 0.00 173.24 175.75 1pms n VAL 541 N 4.64 4.57 -3.23 3.43 0.31 0.16 -4.89 118.33 123.31 1pms n VAL 541 Ca -0.18 -4.81 -0.40 0.00 -0.01 0.00 0.00 64.34 58.94 1pms n VAL 541 Cb 0.51 -2.32 -0.07 0.00 -0.91 0.00 0.00 33.84 31.05 1pms n VAL 541 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1pms s ILE 542 N -0.24 5.07 0.29 2.52 1.01 -1.25 -2.08 121.20 126.52 1pms s ILE 542 Ca 0.38 0.90 0.03 0.00 0.00 0.00 0.00 60.65 61.96 1pms s ILE 542 Cb 0.06 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.66 1pms s ILE 542 CO 0.02 0.09 0.17 0.72 0.00 0.00 0.00 174.94 175.95 1pms s PHE 543 N 2.24 1.56 -0.12 3.97 -0.71 -1.12 -3.82 117.98 119.99 1pms s PHE 543 Ca 0.22 -1.41 -0.05 0.00 -1.04 0.00 0.00 56.93 54.65 1pms s PHE 543 Cb -0.16 -0.80 0.06 0.00 -1.21 0.00 0.00 43.02 40.91 1pms s PHE 543 CO 0.09 -0.58 0.26 0.45 -1.34 0.00 0.00 175.22 174.10 1pms s SER 544 N -3.35 0.28 0.25 1.98 0.15 -0.76 -2.72 113.70 109.54 1pms s SER 544 Ca 0.37 0.58 -0.30 0.00 0.70 0.00 0.00 55.95 57.29 1pms s SER 544 Cb 0.05 0.64 -0.09 0.00 -1.71 0.00 0.00 66.02 64.91 1pms s SER 544 CO 0.18 -0.23 0.99 0.00 1.20 0.00 0.00 173.24 175.38 1pms s ALA 545 N 2.25 3.36 -0.14 5.45 0.00 -1.26 -1.20 121.76 130.22 1pms s ALA 545 Ca -0.00 0.71 -0.02 0.00 0.00 0.00 0.00 51.96 52.64 1pms s ALA 545 Cb -0.12 -3.25 -0.02 0.00 0.00 0.00 0.00 23.12 19.73 1pms s ALA 545 CO -0.08 0.08 2.58 1.63 0.00 0.00 0.00 175.76 179.97 1pms n LYS 546 N 1.44 1.67 -3.02 0.00 4.76 -1.26 -4.55 118.16 117.20 1pms n LYS 546 Ca -0.02 -0.98 -0.02 0.00 -2.87 0.00 0.00 58.31 54.43 1pms n LYS 546 Cb 0.46 -1.59 0.01 0.00 -1.84 0.00 0.00 35.03 32.08 1pms n LYS 546 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1pms n SER 547 N 1.43 -1.11 -0.10 4.39 2.88 -1.26 -5.01 113.62 114.85 1pms n SER 547 Ca 0.26 -1.57 -0.17 0.00 -1.33 0.00 0.00 58.87 56.06 1pms n SER 547 Cb 0.64 1.80 -0.09 0.00 -0.75 0.00 0.00 64.21 65.81 1pms n SER 547 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1pms n ALA 548 N -1.56 0.71 -0.10 -1.46 0.00 -1.26 -3.13 120.51 113.71 1pms n ALA 548 Ca -0.09 -0.50 -0.10 0.00 0.00 0.00 0.00 53.44 52.75 1pms n ALA 548 Cb 0.38 -0.36 0.05 0.00 0.00 0.00 0.00 19.45 19.51 1pms n ALA 548 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1pms h GLU 549 N -1.00 0.83 -0.62 0.00 5.08 -1.97 -2.49 114.58 114.41 1pms h GLU 549 Ca -0.27 -0.38 -0.04 0.00 -1.00 0.00 0.00 59.36 57.68 1pms h GLU 549 Cb 1.10 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.30 1pms h GLU 549 CO -0.16 1.01 0.23 0.93 -1.00 0.00 0.00 179.01 180.01 1pms h GLU 550 N 0.71 0.92 0.81 2.33 5.08 -1.94 0.59 114.58 123.08 1pms h GLU 550 Ca 0.08 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 1pms h GLU 550 Cb 0.83 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.93 1pms h GLU 550 CO 0.07 0.77 -0.39 -0.22 -1.00 0.00 0.00 179.01 178.24 1pms h LYS 551 N 0.90 -1.05 0.00 2.33 3.64 -1.43 -2.15 116.57 118.81 1pms h LYS 551 Ca 0.21 0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 1pms h LYS 551 Cb 0.21 0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1pms h LYS 551 CO -0.01 -0.69 0.00 0.09 -2.27 0.00 0.00 179.45 176.57 1pms n ASN 552 N -5.52 0.00 0.15 4.20 3.02 -0.96 -2.62 115.26 113.53 1pms n ASN 552 Ca -0.14 0.46 -0.07 0.00 -0.03 0.00 0.00 54.58 54.80 1pms n ASN 552 Cb 0.44 -0.48 -0.03 0.00 -0.61 0.00 0.00 39.78 39.10 1pms n ASN 552 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 1pms h ASN 553 N 0.00 -0.37 -0.37 6.41 4.21 0.85 -0.88 115.58 125.43 1pms h ASN 553 Ca 0.00 0.01 -0.09 0.00 1.21 0.00 0.00 56.30 57.43 1pms h ASN 553 Cb 0.23 0.10 -0.02 0.00 -1.12 0.00 0.00 38.32 37.50 1pms h ASN 553 CO 0.00 -0.03 -0.09 -0.50 -1.29 0.00 0.00 177.43 175.52 1pms h TRP 554 N -0.91 0.88 -0.56 1.19 4.06 -1.52 -0.73 115.95 118.36 1pms h TRP 554 Ca -0.04 -0.16 -0.02 0.00 2.06 0.00 0.00 58.89 60.73 1pms h TRP 554 Cb 0.34 -0.23 -0.03 0.00 -1.00 0.00 0.00 29.16 28.24 1pms h TRP 554 CO 0.02 0.86 0.26 1.98 -3.56 0.00 0.00 178.44 178.00 1pms h MET 555 N 0.73 0.79 0.00 0.49 1.85 -1.60 -2.23 114.93 114.97 1pms h MET 555 Ca 0.13 -0.10 -0.18 0.00 -0.61 0.00 0.00 59.70 58.93 1pms h MET 555 Cb 0.58 -0.15 -0.03 0.00 0.43 0.00 0.00 31.60 32.43 1pms h MET 555 CO 0.04 0.62 -0.87 0.00 -0.40 0.00 0.00 176.91 176.29 1pms h ALA 556 N 1.50 0.46 0.00 0.39 0.00 -0.63 -3.08 119.26 117.91 1pms h ALA 556 Ca 0.20 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1pms h ALA 556 Cb 0.09 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1pms h ALA 556 CO -0.03 1.09 0.00 0.00 0.00 0.00 0.00 179.25 180.32 1pms h ALA 557 N 1.13 1.00 0.00 0.00 0.00 -0.54 0.38 119.26 121.23 1pms h ALA 557 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1pms h ALA 557 Cb 1.64 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.43 1pms h ALA 557 CO 0.11 0.00 -0.11 -0.07 0.00 0.00 0.00 179.25 179.19 1pms h LEU 558 N 0.00 0.00 -0.53 0.00 3.38 -1.40 -3.31 115.31 113.44 1pms h LEU 558 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1pms h LEU 558 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1pms h LEU 558 CO 0.00 0.29 0.00 -0.38 0.09 0.00 0.00 178.44 178.44 1pms n ILE 559 N -3.32 1.34 -0.09 1.22 -0.00 -1.18 -1.25 119.36 116.08 1pms n ILE 559 Ca -0.01 0.48 -0.06 0.00 -0.00 0.00 0.00 62.75 63.15 1pms n ILE 559 Cb 0.06 -1.42 0.12 0.00 -0.00 0.00 0.00 39.64 38.40 1pms n ILE 559 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.55 176.83 1pms h SER 560 N 0.00 0.76 0.85 4.38 0.02 -0.33 -2.80 113.55 116.42 1pms h SER 560 Ca 0.00 -0.24 -0.06 0.00 -0.84 0.00 0.00 61.79 60.65 1pms h SER 560 Cb 0.11 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 1pms h SER 560 CO 0.00 0.91 -1.20 0.18 -1.14 0.00 0.00 176.83 175.58 1pms n LEU 561 N -4.15 0.82 -0.35 5.07 4.77 -0.38 -4.07 117.00 118.71 1pms n LEU 561 Ca 0.01 0.33 0.14 0.00 -0.03 0.00 0.00 56.01 56.46 1pms n LEU 561 Cb 0.38 -0.01 0.34 0.00 -2.33 0.00 0.00 43.42 41.80 1pms n LEU 561 CO 0.43 -0.06 1.19 -0.61 -1.33 0.00 0.00 177.39 177.02 1pms h GLN 562 N 0.00 0.71 -0.94 3.23 -0.00 -1.09 -0.68 115.11 116.33 1pms h GLN 562 Ca -0.06 -0.04 0.27 0.00 -0.00 0.00 0.00 58.65 58.81 1pms h GLN 562 Cb 1.22 -0.16 -0.14 0.00 0.00 0.00 0.00 27.48 28.40 1pms h GLN 562 CO 0.02 0.47 0.43 0.10 0.00 0.00 0.00 178.83 179.85 1pms h TYR 563 N 0.74 0.70 0.00 3.99 -0.00 -1.70 -3.45 116.97 117.25 1pms h TYR 563 Ca 0.58 0.04 0.00 0.00 -0.00 0.00 0.00 58.73 59.35 1pms h TYR 563 Cb 0.94 -0.16 0.00 0.00 -0.00 0.00 0.00 36.73 37.51 1pms h TYR 563 CO -0.00 -0.14 0.00 2.89 -0.00 0.00 0.00 178.16 180.91 1pms n ARG 564 N -5.09 0.00 0.00 0.10 0.00 -0.26 -5.20 116.66 106.21 1pms n ARG 564 Ca 0.26 0.00 0.13 0.00 -0.00 0.00 0.00 57.85 58.24 1pms n ARG 564 Cb 0.80 0.00 0.35 0.00 -0.00 0.00 0.00 32.46 33.61 1pms n ARG 564 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08