#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 2.19 -0.67 -1.46 2.85 -1.26 -4.17 118.16 115.65 1pms n LYS 432 Ca 0.00 -1.84 -0.13 0.00 -1.05 0.00 0.00 58.31 55.29 1pms n LYS 432 Cb 0.00 -1.42 0.09 0.00 -0.65 0.00 0.00 35.03 33.05 1pms n LYS 432 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1pms n GLN 433 N 1.00 1.67 0.24 -1.58 6.02 -1.26 -4.40 117.38 119.08 1pms n GLN 433 Ca 0.18 -1.57 0.16 0.00 -0.01 0.00 0.00 57.00 55.75 1pms n GLN 433 Cb 0.45 -1.62 0.85 0.00 1.02 0.00 0.00 30.24 30.94 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 1.14 0.00 0.06 1.08 3.38 -2.00 0.22 115.31 119.18 1pms h LEU 434 Ca 0.33 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 58.02 1pms h LEU 434 Cb 1.87 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.60 1pms h LEU 434 CO 0.60 0.00 -1.43 0.00 0.09 0.00 0.00 178.44 177.70 1pms h ALA 435 N 1.88 0.41 0.00 1.53 0.00 -1.96 -3.24 119.26 117.88 1pms h ALA 435 Ca 0.05 -1.14 0.00 0.00 0.00 0.00 0.00 54.91 53.82 1pms h ALA 435 Cb 0.26 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1pms h ALA 435 CO -0.00 1.28 0.00 -0.89 0.00 0.00 0.00 179.25 179.64 1pms n ILE 436 N -3.33 0.46 0.05 0.00 5.41 -0.14 -3.17 119.36 118.63 1pms n ILE 436 Ca -0.12 -0.18 -0.12 0.00 1.00 0.00 0.00 62.75 63.33 1pms n ILE 436 Cb 1.02 -0.59 -0.01 0.00 -0.71 0.00 0.00 39.64 39.34 1pms n ILE 436 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 1pms h LYS 437 N 0.00 0.46 0.78 0.38 6.56 -0.69 -3.03 116.57 121.03 1pms h LYS 437 Ca 0.00 -0.42 -0.04 0.00 -1.06 0.00 0.00 60.65 59.13 1pms h LYS 437 Cb 0.65 0.10 0.01 0.00 -0.57 0.00 0.00 32.23 32.42 1pms h LYS 437 CO 0.00 1.06 -0.38 0.87 -2.06 0.00 0.00 179.45 178.94 1pms h LYS 438 N 0.30 -1.01 -0.99 3.15 1.57 -1.63 -2.70 116.57 115.26 1pms h LYS 438 Ca -0.05 0.07 0.34 0.00 -1.87 0.00 0.00 60.65 59.13 1pms h LYS 438 Cb 1.42 0.23 -0.16 0.00 0.08 0.00 0.00 32.23 33.80 1pms h LYS 438 CO 0.14 -0.67 0.51 1.98 -0.57 0.00 0.00 179.45 180.84 1pms h MET 439 N -1.28 0.21 0.55 3.15 4.05 -1.65 0.33 114.93 120.30 1pms h MET 439 Ca -0.11 -0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.28 1pms h MET 439 Cb 0.81 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.55 1pms h MET 439 CO 0.18 0.14 -0.41 -0.97 0.23 0.00 0.00 176.91 176.08 1pms h ASN 440 N 0.22 -1.08 0.33 1.39 -1.24 -1.37 0.73 115.58 114.56 1pms h ASN 440 Ca 0.74 0.08 0.00 0.00 0.71 0.00 0.00 56.30 57.83 1pms h ASN 440 Cb 1.75 0.34 0.00 0.00 0.73 0.00 0.00 38.32 41.14 1pms h ASN 440 CO -0.67 -0.60 0.00 -0.62 -1.29 0.00 0.00 177.43 174.25 1pms n GLU 441 N -5.53 0.01 0.05 6.67 4.71 0.58 -2.01 120.64 125.13 1pms n GLU 441 Ca -0.12 0.32 -0.14 0.00 -0.01 0.00 0.00 57.16 57.21 1pms n GLU 441 Cb 0.42 -1.50 -0.14 0.00 -1.01 0.00 0.00 31.44 29.21 1pms n GLU 441 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 1pms h ILE 442 N 0.00 1.24 0.00 -3.67 2.04 0.17 -2.00 117.51 115.29 1pms h ILE 442 Ca 0.00 -2.92 0.00 0.00 1.00 0.00 0.00 64.86 62.94 1pms h ILE 442 Cb 0.16 2.74 0.00 0.00 -0.74 0.00 0.00 36.82 38.99 1pms h ILE 442 CO 0.00 0.81 -0.21 0.00 0.00 0.00 0.00 178.15 178.75 1pms n GLN 443 N -3.39 0.07 -0.06 2.37 10.64 -0.25 -3.69 117.38 123.08 1pms n GLN 443 Ca -0.13 0.04 -0.21 0.00 -1.83 0.00 0.00 57.00 54.87 1pms n GLN 443 Cb 1.02 -1.56 -0.13 0.00 -0.86 0.00 0.00 30.24 28.72 1pms n GLN 443 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 1pms n LYS 444 N -1.66 0.70 0.00 2.61 4.76 -1.07 -0.67 118.16 122.83 1pms n LYS 444 Ca 0.06 0.26 0.04 0.00 -2.87 0.00 0.00 58.31 55.80 1pms n LYS 444 Cb 0.36 -1.64 0.18 0.00 -1.84 0.00 0.00 35.03 32.09 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 -3.57 0.00 0.00 4.39 2.85 -0.75 -2.56 115.26 115.61 1pms n ASN 445 Ca -0.38 0.41 0.00 0.00 -0.11 0.00 0.00 54.58 54.50 1pms n ASN 445 Cb 0.98 -0.44 0.00 0.00 1.24 0.00 0.00 39.78 41.56 1pms n ASN 445 CO 0.00 0.00 0.00 2.30 -2.11 0.00 0.00 177.26 177.45 1pms n ILE 446 N -1.44 0.03 0.00 -1.44 -5.35 -1.24 -4.99 119.36 104.93 1pms n ILE 446 Ca 0.02 -0.11 0.00 0.00 -0.27 0.00 0.00 62.75 62.40 1pms n ILE 446 Cb 0.08 1.67 0.00 0.00 -1.74 0.00 0.00 39.64 39.65 1pms n ILE 446 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1pms n ASP 447 N -0.02 0.00 0.00 7.28 2.03 -0.54 -3.21 116.55 122.10 1pms n ASP 447 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1pms n ASP 447 Cb 0.25 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.65 1pms n ASP 447 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1pms n GLY 448 N -2.00 -0.18 2.26 0.27 0.00 0.16 -4.84 105.19 100.86 1pms n GLY 448 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 1pms n GLY 448 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1pms n TRP 449 N 0.00 -2.40 -0.20 1.61 7.02 -1.20 -4.54 117.44 117.74 1pms n TRP 449 Ca 0.00 1.05 0.00 0.00 -1.02 0.00 0.00 57.50 57.53 1pms n TRP 449 Cb 0.00 -3.05 0.00 0.00 -2.42 0.00 0.00 31.31 25.84 1pms n TRP 449 CO 0.00 0.00 0.00 -0.85 -2.02 0.00 0.00 177.69 174.82 1pms n GLU 450 N 0.29 1.02 0.00 -0.99 -0.00 -1.24 -0.30 120.64 119.42 1pms n GLU 450 Ca 0.01 -0.92 0.00 0.00 -0.00 0.00 0.00 57.16 56.26 1pms n GLU 450 Cb 0.05 -0.90 0.00 0.00 -0.00 0.00 0.00 31.44 30.59 1pms n GLU 450 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1pms n GLY 451 N -0.23 0.00 3.64 -1.84 0.00 -1.21 -4.79 105.19 100.76 1pms n GLY 451 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1pms n GLY 451 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1pms s LYS 452 N 0.00 0.55 0.69 1.61 2.20 -1.26 -5.13 119.74 118.40 1pms s LYS 452 Ca 0.00 0.78 -0.11 0.00 -0.36 0.00 0.00 55.97 56.28 1pms s LYS 452 Cb 0.00 0.20 0.00 0.00 -1.51 0.00 0.00 37.83 36.53 1pms s LYS 452 CO 0.00 -0.09 1.06 0.16 -0.36 0.00 0.00 175.35 176.12 1pms s ASP 453 N 0.80 5.49 -0.05 1.43 1.47 -1.26 -4.78 116.67 119.78 1pms s ASP 453 Ca -0.03 1.55 0.02 0.00 1.18 0.00 0.00 52.55 55.27 1pms s ASP 453 Cb -0.05 -2.45 -0.04 0.00 -0.34 0.00 0.00 42.92 40.04 1pms s ASP 453 CO -0.10 -1.36 -0.01 0.00 0.68 0.00 0.00 175.17 174.38 1pms n ILE 454 N -3.07 0.29 -4.16 2.11 3.06 -1.26 -4.91 119.36 111.41 1pms n ILE 454 Ca 0.07 -0.15 -0.25 0.00 -2.50 0.00 0.00 62.75 59.92 1pms n ILE 454 Cb 0.54 -0.80 -0.06 0.00 0.54 0.00 0.00 39.64 39.85 1pms n ILE 454 CO 0.00 0.00 0.00 -0.83 -2.50 0.00 0.00 176.55 173.22 1pms s GLY 455 N -3.92 1.65 -0.07 4.50 0.00 0.22 -4.99 107.32 104.70 1pms s GLY 455 Ca -0.04 -1.37 -0.08 0.00 0.00 0.00 0.00 44.72 43.23 1pms s GLY 455 CO 0.15 -1.40 0.56 -1.61 0.00 0.00 0.00 173.10 170.79 1pms h GLN 456 N 2.26 0.31 0.00 2.90 5.75 -1.97 -3.36 115.11 121.01 1pms h GLN 456 Ca -0.47 -0.54 -0.03 0.00 -0.15 0.00 0.00 58.65 57.46 1pms h GLN 456 Cb 1.22 0.20 -0.00 0.00 1.07 0.00 0.00 27.48 29.96 1pms h GLN 456 CO 0.60 1.23 -0.57 0.00 -2.65 0.00 0.00 178.83 177.44 1pms n ASN 459 N 5.77 -1.79 0.00 0.00 2.85 -1.26 -4.25 115.26 116.58 1pms n ASN 459 Ca -0.04 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.43 1pms n ASN 459 Cb 0.49 -0.89 0.00 0.00 1.24 0.00 0.00 39.78 40.62 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 0.22 0.00 -0.52 1.20 0.28 -1.26 0.70 120.64 121.27 1pms n GLU 460 Ca 0.00 0.00 -0.05 0.00 -0.16 0.00 0.00 57.16 56.95 1pms n GLU 460 Cb 0.00 0.00 0.13 0.00 1.43 0.00 0.00 31.44 33.00 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 0.00 1.27 0.03 -1.84 1.16 -1.26 -4.22 117.46 112.59 1pms n PHE 461 Ca 0.00 -0.82 -0.12 0.00 -1.87 0.00 0.00 57.45 54.65 1pms n PHE 461 Cb 0.00 -0.47 -0.07 0.00 -1.61 0.00 0.00 39.48 37.33 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 1.04 0.00 -2.61 1.97 1.08 -1.96 -3.42 117.51 113.62 1pms h ILE 462 Ca 0.18 0.00 -0.12 0.00 -0.39 0.00 0.00 64.86 64.53 1pms h ILE 462 Cb 1.61 0.00 -0.28 0.00 -3.07 0.00 0.00 36.82 35.08 1pms h ILE 462 CO 0.41 0.00 -0.37 -0.04 -0.69 0.00 0.00 178.15 177.46 1pms s MET 463 N -5.00 0.32 -0.30 2.37 -1.94 -1.13 -4.88 119.30 108.73 1pms s MET 463 Ca -0.12 0.92 -0.02 0.00 -1.71 0.00 0.00 55.69 54.75 1pms s MET 463 Cb 0.05 0.17 0.10 0.00 2.01 0.00 0.00 34.83 37.16 1pms s MET 463 CO 0.45 -0.23 0.12 -1.21 -0.01 0.00 0.00 175.02 174.15 1pms s GLU 464 N 2.20 0.43 0.00 2.03 8.01 -1.26 -1.22 118.70 128.88 1pms s GLU 464 Ca -0.04 -0.81 0.00 0.00 0.01 0.00 0.00 54.97 54.14 1pms s GLU 464 Cb -0.11 -1.50 0.00 0.00 -4.31 0.00 0.00 34.13 28.21 1pms s GLU 464 CO -0.12 -1.02 0.00 0.41 0.01 0.00 0.00 175.26 174.54 1pms n GLY 465 N 5.00 -0.19 2.94 -1.39 0.00 0.58 -3.32 105.19 108.82 1pms n GLY 465 Ca -0.03 0.52 -0.14 0.00 0.00 0.00 0.00 46.02 46.37 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 0.00 0.26 -0.00 2.61 -4.23 -1.26 -2.21 115.64 110.80 1pms s THR 466 Ca 0.00 -0.29 -0.16 0.00 -1.18 0.00 0.00 61.69 60.07 1pms s THR 466 Cb 0.00 -0.25 0.03 0.00 1.34 0.00 0.00 72.50 73.62 1pms s THR 466 CO 0.00 -0.02 0.33 -0.22 -0.54 0.00 0.00 174.62 174.17 1pms s LEU 467 N -0.34 0.76 0.15 4.79 1.98 -1.17 -4.55 118.68 120.30 1pms s LEU 467 Ca -0.01 0.06 0.03 0.00 -2.89 0.00 0.00 54.13 51.32 1pms s LEU 467 Cb -0.03 1.37 -0.04 0.00 0.66 0.00 0.00 46.19 48.16 1pms s LEU 467 CO -0.00 -0.50 0.21 0.28 -1.89 0.00 0.00 176.35 174.45 1pms s THR 468 N -1.61 4.98 -0.97 3.68 -1.32 -0.40 -2.41 115.64 117.58 1pms s THR 468 Ca -0.11 -0.82 -0.08 0.00 -1.21 0.00 0.00 61.69 59.46 1pms s THR 468 Cb -0.04 -3.54 0.25 0.00 -1.51 0.00 0.00 72.50 67.66 1pms s THR 468 CO 0.03 -0.07 0.92 -0.60 -2.21 0.00 0.00 174.62 172.69 1pms s ARG 469 N -3.10 3.78 -0.18 7.08 3.52 -1.26 -0.84 118.95 127.96 1pms s ARG 469 Ca 0.33 -3.01 -0.20 0.00 -0.13 0.00 0.00 55.73 52.71 1pms s ARG 469 Cb -0.11 -4.36 -0.09 0.00 -1.56 0.00 0.00 34.95 28.83 1pms s ARG 469 CO 0.26 -1.25 0.67 1.33 -0.81 0.00 0.00 175.30 175.50 1pms n VAL 470 N 2.97 0.00 0.00 7.11 0.24 -0.90 -3.16 118.33 124.59 1pms n VAL 470 Ca 0.20 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.50 1pms n VAL 470 Cb 0.40 -0.18 0.00 0.00 -1.47 0.00 0.00 33.84 32.60 1pms n VAL 470 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1pms n GLY 471 N 1.56 1.04 3.56 7.63 0.00 -1.26 -4.93 105.19 112.78 1pms n GLY 471 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.68 2.97 -0.48 4.61 0.00 -1.19 -5.03 121.76 121.96 1pms s ALA 472 Ca 0.00 -2.15 -0.00 0.00 0.00 0.00 0.00 51.96 49.81 1pms s ALA 472 Cb 0.00 0.06 0.41 0.00 0.00 0.00 0.00 23.12 23.59 1pms s ALA 472 CO 0.00 -0.01 1.94 0.36 0.00 0.00 0.00 175.76 178.06 1pms n LYS 473 N -0.83 2.25 -3.65 0.00 2.85 -1.26 -4.87 118.16 112.65 1pms n LYS 473 Ca -0.05 -2.57 -0.01 0.00 -1.05 0.00 0.00 58.31 54.63 1pms n LYS 473 Cb 0.65 -2.01 -0.07 0.00 -0.65 0.00 0.00 35.03 32.95 1pms n LYS 473 CO 0.00 0.00 0.00 -3.38 -0.05 0.00 0.00 177.40 173.97 1pms s HIS 474 N -2.94 -0.00 0.38 5.58 -3.43 -1.26 -5.17 115.29 108.44 1pms s HIS 474 Ca 0.50 0.00 -0.05 0.00 -0.80 0.00 0.00 55.06 54.71 1pms s HIS 474 Cb 0.40 0.44 0.08 0.00 -1.43 0.00 0.00 32.58 32.08 1pms s HIS 474 CO 0.02 -0.00 0.51 -0.85 -2.00 0.00 0.00 174.74 172.42 1pms n GLU 475 N 1.67 -0.35 -3.76 -0.38 0.00 -1.26 -4.63 120.64 111.94 1pms n GLU 475 Ca -0.11 -0.90 -0.10 0.00 0.00 0.00 0.00 57.16 56.06 1pms n GLU 475 Cb 0.57 -0.50 -0.06 0.00 0.00 0.00 0.00 31.44 31.45 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 -4.04 0.93 0.64 3.44 0.52 -1.01 -4.96 118.95 114.46 1pms s ARG 476 Ca 0.30 -0.81 -0.18 0.00 -0.52 0.00 0.00 55.73 54.53 1pms s ARG 476 Cb -0.01 0.39 -0.04 0.00 0.52 0.00 0.00 34.95 35.82 1pms s ARG 476 CO 0.21 -0.33 0.90 0.72 0.02 0.00 0.00 175.30 176.82 1pms n HIS 477 N -0.05 0.57 -3.98 -0.53 8.25 -0.47 -3.04 115.22 115.96 1pms n HIS 477 Ca -0.16 0.42 -0.09 0.00 -0.26 0.00 0.00 57.72 57.63 1pms n HIS 477 Cb 0.63 -2.10 -0.10 0.00 1.12 0.00 0.00 29.99 29.54 1pms n HIS 477 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1pms s ILE 478 N -1.61 0.14 -0.29 1.59 -1.09 -0.94 -1.52 121.20 117.48 1pms s ILE 478 Ca 0.75 -1.18 -0.00 0.00 -2.23 0.00 0.00 60.65 57.99 1pms s ILE 478 Cb -0.40 -0.82 0.14 0.00 -1.58 0.00 0.00 42.46 39.80 1pms s ILE 478 CO 0.48 -0.65 0.30 -0.36 -1.23 0.00 0.00 174.94 173.48 1pms s PHE 479 N -2.50 -0.45 -0.24 3.97 0.40 -0.87 -3.12 117.98 115.18 1pms s PHE 479 Ca -0.06 -0.22 -0.17 0.00 -0.60 0.00 0.00 56.93 55.88 1pms s PHE 479 Cb -0.02 -0.46 -0.03 0.00 0.51 0.00 0.00 43.02 43.01 1pms s PHE 479 CO -0.04 -0.92 0.45 -1.17 0.70 0.00 0.00 175.22 174.23 1pms s LEU 480 N 2.30 4.09 -0.78 -0.37 0.20 -0.36 -1.39 118.68 122.37 1pms s LEU 480 Ca 0.10 0.49 -0.07 0.00 0.69 0.00 0.00 54.13 55.34 1pms s LEU 480 Cb -0.14 -2.57 0.20 0.00 -0.43 0.00 0.00 46.19 43.25 1pms s LEU 480 CO -0.31 -0.18 0.66 0.12 -0.29 0.00 0.00 176.35 176.35 1pms s PHE 481 N 1.84 3.67 0.00 5.38 5.36 -0.01 -2.84 117.98 131.38 1pms s PHE 481 Ca 0.19 -2.53 0.00 0.00 -0.96 0.00 0.00 56.93 53.64 1pms s PHE 481 Cb -0.15 -3.47 0.00 0.00 -0.34 0.00 0.00 43.02 39.06 1pms s PHE 481 CO 0.09 -0.88 0.00 -0.25 -1.46 0.00 0.00 175.22 172.72 1pms n ASP 482 N 3.38 0.00 -2.11 6.13 9.92 -1.26 0.60 116.55 133.20 1pms n ASP 482 Ca 0.14 0.00 -0.25 0.00 -0.53 0.00 0.00 54.79 54.15 1pms n ASP 482 Cb 0.41 0.00 0.11 0.00 -0.64 0.00 0.00 41.12 41.00 1pms n ASP 482 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1pms n GLY 483 N 0.00 4.72 3.00 0.44 0.00 -1.26 -4.76 105.19 107.33 1pms n GLY 483 Ca 0.00 -1.43 -0.17 0.00 0.00 0.00 0.00 46.02 44.42 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 -2.99 2.02 -0.34 0.99 2.96 0.20 -1.19 118.68 120.33 1pms s LEU 484 Ca 0.51 -0.14 0.02 0.00 -0.22 0.00 0.00 54.13 54.30 1pms s LEU 484 Cb 0.42 -0.38 0.10 0.00 0.50 0.00 0.00 46.19 46.83 1pms s LEU 484 CO 0.04 0.09 0.09 -0.32 -1.32 0.00 0.00 176.35 174.93 1pms s MET 485 N -0.20 1.14 0.24 1.98 -2.45 -0.71 -0.83 119.30 118.47 1pms s MET 485 Ca 0.03 -1.54 0.04 0.00 -1.25 0.00 0.00 55.69 52.96 1pms s MET 485 Cb -0.03 -2.62 -0.03 0.00 1.25 0.00 0.00 34.83 33.40 1pms s MET 485 CO -0.00 -0.98 0.38 0.42 1.05 0.00 0.00 175.02 175.89 1pms s ILE 486 N 1.16 5.25 -0.02 10.11 1.01 -0.49 -1.56 121.20 136.67 1pms s ILE 486 Ca 0.11 -0.85 -0.16 0.00 0.00 0.00 0.00 60.65 59.75 1pms s ILE 486 Cb -0.19 -3.84 0.03 0.00 0.01 0.00 0.00 42.46 38.47 1pms s ILE 486 CO -0.15 -0.32 0.33 0.00 0.00 0.00 0.00 174.94 174.79 1pms n LYS 489 N -0.07 0.00 -0.65 0.00 0.00 -1.26 -1.37 118.16 114.81 1pms n LYS 489 Ca -0.15 0.00 0.08 0.00 0.00 0.00 0.00 58.31 58.24 1pms n LYS 489 Cb 0.62 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 35.62 1pms n LYS 489 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1pms n SER 490 N 0.00 -3.71 -3.82 3.14 7.64 -1.26 -4.87 113.62 110.74 1pms n SER 490 Ca 0.00 0.57 -0.27 0.00 1.01 0.00 0.00 58.87 60.19 1pms n SER 490 Cb 0.00 -2.18 0.21 0.00 -1.01 0.00 0.00 64.21 61.23 1pms n SER 490 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1pms n ASN 491 N -3.18 -2.98 -2.47 6.43 4.13 -1.26 -4.80 115.26 111.13 1pms n ASN 491 Ca -0.03 -0.42 -0.27 0.00 1.68 0.00 0.00 54.58 55.54 1pms n ASN 491 Cb 0.31 -0.95 -0.06 0.00 -1.54 0.00 0.00 39.78 37.54 1pms n ASN 491 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 1pms n HIS 492 N -4.89 1.56 0.00 3.10 8.25 -1.26 -4.94 115.22 117.04 1pms n HIS 492 Ca 0.06 -1.93 0.00 0.00 -0.26 0.00 0.00 57.72 55.59 1pms n HIS 492 Cb 0.52 -1.38 0.00 0.00 1.12 0.00 0.00 29.99 30.25 1pms n HIS 492 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1pms n GLY 493 N 0.90 0.72 3.85 -1.41 0.00 -1.26 -4.97 105.19 103.01 1pms n GLY 493 Ca 0.49 -1.67 -0.33 0.00 0.00 0.00 0.00 46.02 44.51 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 0.00 3.99 0.36 1.61 -0.21 -1.26 -4.81 119.66 119.33 1pms s GLN 494 Ca 0.00 0.59 -0.25 0.00 0.02 0.00 0.00 55.36 55.72 1pms s GLN 494 Cb 0.00 -2.59 -0.10 0.00 1.00 0.00 0.00 33.01 31.32 1pms s GLN 494 CO 0.00 0.26 0.98 -1.25 -2.12 0.00 0.00 175.29 173.16 1pms s PRO 495 N -2.71 4.42 0.31 2.91 0.04 -1.26 -4.94 135.00 133.77 1pms s PRO 495 Ca 0.50 1.39 0.07 0.00 0.04 0.00 0.00 61.00 63.00 1pms s PRO 495 Cb -0.12 -2.67 0.81 0.00 0.04 0.00 0.00 34.50 32.56 1pms s PRO 495 CO 0.19 0.11 1.74 0.00 0.04 0.00 0.00 177.00 179.08 1pms h ARG 496 N 2.86 0.58 -3.96 4.56 -0.00 -2.01 -3.22 114.38 113.20 1pms h ARG 496 Ca -0.47 -0.04 -0.70 0.00 -0.50 0.00 0.00 59.98 58.27 1pms h ARG 496 Cb 1.20 -0.13 -0.35 0.00 0.00 0.00 0.00 29.97 30.69 1pms h ARG 496 CO 0.64 0.39 -0.44 -0.51 0.00 0.00 0.00 179.97 180.05 1pms s LEU 497 N -10.36 5.26 0.20 3.04 1.43 -1.26 -5.07 118.68 111.92 1pms s LEU 497 Ca -0.11 -2.51 -0.30 0.00 -1.03 0.00 0.00 54.13 50.18 1pms s LEU 497 Cb 0.26 -1.85 -0.08 0.00 0.03 0.00 0.00 46.19 44.55 1pms s LEU 497 CO 0.79 -0.45 1.02 -2.16 0.23 0.00 0.00 176.35 175.79 1pms s PRO 498 N 0.44 4.71 0.00 1.29 0.04 -1.22 -3.37 135.00 136.89 1pms s PRO 498 Ca 0.13 1.61 0.00 0.00 0.04 0.00 0.00 61.00 62.78 1pms s PRO 498 Cb -0.21 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 31.04 1pms s PRO 498 CO -0.04 0.27 0.00 0.41 0.04 0.00 0.00 177.00 177.68 1pms n GLY 499 N 1.75 3.20 0.00 0.56 0.00 -1.26 -4.91 105.19 104.53 1pms n GLY 499 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1pms n GLY 499 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pms n ALA 500 N -0.86 -0.07 0.62 4.61 0.00 -1.22 -3.92 120.51 119.67 1pms n ALA 500 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 1pms n ALA 500 Cb 0.00 0.00 0.41 0.00 0.00 0.00 0.00 19.45 19.86 1pms n ALA 500 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1pms n SER 501 N -1.92 0.11 -3.34 0.00 2.88 -1.26 -4.86 113.62 105.23 1pms n SER 501 Ca 0.00 0.52 -0.24 0.00 -1.33 0.00 0.00 58.87 57.82 1pms n SER 501 Cb 0.00 -0.55 0.03 0.00 -0.75 0.00 0.00 64.21 62.94 1pms n SER 501 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1pms n SER 502 N -1.62 -5.38 -4.96 -3.46 7.64 -1.25 -4.97 113.62 99.62 1pms n SER 502 Ca 0.04 -0.43 -0.20 0.00 1.01 0.00 0.00 58.87 59.30 1pms n SER 502 Cb 0.23 -4.33 0.04 0.00 -1.01 0.00 0.00 64.21 59.14 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 -3.16 4.27 0.00 -0.43 0.00 -1.26 -5.01 121.76 116.17 1pms s ALA 503 Ca 0.43 -1.68 0.00 0.00 0.00 0.00 0.00 51.96 50.71 1pms s ALA 503 Cb -0.21 -1.78 0.00 0.00 0.00 0.00 0.00 23.12 21.14 1pms s ALA 503 CO 0.53 -0.70 0.00 0.39 0.00 0.00 0.00 175.76 175.98 1pms n GLU 504 N -2.21 0.00 -2.75 0.00 -0.58 -1.26 -4.88 120.64 108.96 1pms n GLU 504 Ca 0.11 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.81 1pms n GLU 504 Cb 0.60 0.00 0.02 0.00 -0.57 0.00 0.00 31.44 31.49 1pms n GLU 504 CO 0.00 0.00 0.00 -0.47 -0.48 0.00 0.00 177.13 176.18 1pms s TYR 505 N 0.18 -1.00 -0.88 -0.32 5.04 -1.26 -4.70 117.35 114.41 1pms s TYR 505 Ca 0.00 -0.29 0.00 0.00 -2.44 0.00 0.00 57.07 54.34 1pms s TYR 505 Cb 0.00 0.20 0.00 0.00 0.35 0.00 0.00 41.96 42.51 1pms s TYR 505 CO 0.00 -0.78 0.00 -2.13 -1.34 0.00 0.00 175.55 171.30 1pms n ARG 506 N 2.91 0.00 -2.00 4.97 0.63 -1.26 -5.02 116.66 116.90 1pms n ARG 506 Ca 0.14 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 57.07 1pms n ARG 506 Cb 0.60 0.00 -0.00 0.00 0.45 0.00 0.00 32.46 33.51 1pms n ARG 506 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1pms n LEU 507 N 0.00 -4.34 -5.01 6.15 4.32 -1.26 -4.69 117.00 112.18 1pms n LEU 507 Ca 0.00 0.69 -0.20 0.00 -0.02 0.00 0.00 56.01 56.48 1pms n LEU 507 Cb 0.00 -1.98 0.04 0.00 -1.62 0.00 0.00 43.42 39.86 1pms n LEU 507 CO 0.00 -1.43 0.25 -0.54 -1.22 0.00 0.00 177.39 174.45 1pms s LYS 508 N -0.72 2.41 0.19 3.23 3.01 -1.26 -4.72 119.74 121.88 1pms s LYS 508 Ca -0.03 -1.61 0.10 0.00 -1.01 0.00 0.00 55.97 53.43 1pms s LYS 508 Cb 0.00 -2.59 -0.04 0.00 -1.01 0.00 0.00 37.83 34.19 1pms s LYS 508 CO 0.33 -0.68 -0.21 -1.83 0.51 0.00 0.00 175.35 173.46 1pms s GLU 509 N -4.53 1.43 0.01 1.68 1.03 -1.14 -5.02 118.70 112.16 1pms s GLU 509 Ca 0.56 -1.51 -0.16 0.00 0.03 0.00 0.00 54.97 53.90 1pms s GLU 509 Cb -0.06 -1.62 0.03 0.00 -0.80 0.00 0.00 34.13 31.68 1pms s GLU 509 CO 0.35 0.34 0.34 -1.59 -1.33 0.00 0.00 175.26 173.37 1pms s LYS 510 N -2.82 0.77 0.32 -4.83 -2.85 -1.26 -1.54 119.74 107.53 1pms s LYS 510 Ca 0.20 -0.29 -0.03 0.00 -1.00 0.00 0.00 55.97 54.85 1pms s LYS 510 Cb -0.07 0.34 -0.00 0.00 -2.06 0.00 0.00 37.83 36.04 1pms s LYS 510 CO 0.09 -0.23 0.43 -0.06 0.10 0.00 0.00 175.35 175.68 1pms s PHE 511 N -1.86 1.05 -0.29 1.78 0.40 -0.60 -4.99 117.98 113.47 1pms s PHE 511 Ca -0.10 -1.27 -0.11 0.00 -0.60 0.00 0.00 56.93 54.85 1pms s PHE 511 Cb -0.03 -0.14 -0.04 0.00 0.51 0.00 0.00 43.02 43.32 1pms s PHE 511 CO 0.01 -1.06 0.19 -0.06 0.70 0.00 0.00 175.22 175.00 1pms s PHE 512 N -3.27 3.21 -0.68 0.36 0.08 -1.26 -1.73 117.98 114.69 1pms s PHE 512 Ca 0.31 -0.05 0.01 0.00 0.12 0.00 0.00 56.93 57.33 1pms s PHE 512 Cb 0.00 -2.39 0.38 0.00 -0.57 0.00 0.00 43.02 40.44 1pms s PHE 512 CO 0.19 -0.24 1.59 -0.12 -0.10 0.00 0.00 175.22 176.54 1pms n MET 513 N 5.05 3.20 0.00 0.44 1.56 -0.33 -4.48 117.12 122.56 1pms n MET 513 Ca -0.14 -4.05 0.00 0.00 -0.27 0.00 0.00 57.70 53.24 1pms n MET 513 Cb 0.51 -2.27 0.00 0.00 2.15 0.00 0.00 33.22 33.61 1pms n MET 513 CO 0.00 0.00 0.00 2.89 -0.73 0.00 0.00 175.97 178.13 1pms n ARG 514 N -0.48 5.50 -0.85 2.12 0.00 -1.25 -4.36 116.66 117.35 1pms n ARG 514 Ca 0.46 0.00 0.02 0.00 -0.00 0.00 0.00 57.85 58.34 1pms n ARG 514 Cb 0.42 -0.43 0.17 0.00 -0.00 0.00 0.00 32.46 32.63 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 -0.83 1.73 -4.44 2.89 -0.00 -1.26 -4.75 118.16 111.50 1pms n LYS 515 Ca 0.00 -3.33 -0.22 0.00 -0.00 0.00 0.00 58.31 54.76 1pms n LYS 515 Cb 0.00 -1.59 -0.10 0.00 -0.00 0.00 0.00 35.03 33.34 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 -3.20 2.22 -0.06 0.58 -7.23 -1.26 -3.87 120.40 107.57 1pms s VAL 516 Ca 0.39 -2.33 0.03 0.00 -1.81 0.00 0.00 61.98 58.26 1pms s VAL 516 Cb 0.38 -2.26 0.01 0.00 0.56 0.00 0.00 36.38 35.07 1pms s VAL 516 CO -0.06 -0.44 -0.15 -1.10 -0.31 0.00 0.00 175.10 173.04 1pms s GLN 517 N -3.56 1.90 -0.02 4.82 -0.21 -1.23 -4.87 119.66 116.47 1pms s GLN 517 Ca 0.28 -0.53 -0.20 0.00 0.02 0.00 0.00 55.36 54.94 1pms s GLN 517 Cb -0.03 -1.56 -0.05 0.00 1.00 0.00 0.00 33.01 32.37 1pms s GLN 517 CO 0.13 0.10 0.56 -1.50 -2.12 0.00 0.00 175.29 172.46 1pms s ILE 518 N 0.45 4.97 -0.37 1.08 2.07 -1.26 -2.57 121.20 125.57 1pms s ILE 518 Ca -0.12 1.17 0.01 0.00 -1.41 0.00 0.00 60.65 60.30 1pms s ILE 518 Cb -0.15 -3.90 0.10 0.00 0.13 0.00 0.00 42.46 38.65 1pms s ILE 518 CO 0.04 0.41 0.11 0.20 -1.91 0.00 0.00 174.94 173.79 1pms s ASN 519 N -0.09 4.98 0.30 4.50 0.02 -1.00 -4.94 114.94 118.70 1pms s ASN 519 Ca 0.30 -2.09 -0.14 0.00 -1.02 0.00 0.00 52.86 49.91 1pms s ASN 519 Cb -0.18 -1.72 -0.09 0.00 0.02 0.00 0.00 41.25 39.29 1pms s ASN 519 CO 0.16 -0.45 0.69 -0.62 0.02 0.00 0.00 177.10 176.90 1pms s ASP 520 N 1.30 6.74 -0.66 -1.22 2.15 -1.26 -2.96 116.67 120.76 1pms s ASP 520 Ca 0.09 1.20 0.05 0.00 0.43 0.00 0.00 52.55 54.32 1pms s ASP 520 Cb -0.21 -2.34 0.17 0.00 -0.30 0.00 0.00 42.92 40.25 1pms s ASP 520 CO -0.06 -0.17 0.48 0.29 -0.17 0.00 0.00 175.17 175.54 1pms n LYS 521 N -0.29 1.61 -1.43 4.34 5.02 -1.26 -4.93 118.16 121.22 1pms n LYS 521 Ca 0.03 -4.29 -0.35 0.00 -2.02 0.00 0.00 58.31 51.68 1pms n LYS 521 Cb 0.53 -2.18 0.07 0.00 -0.02 0.00 0.00 35.03 33.42 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 2.04 7.61 0.00 4.39 8.00 -1.26 -4.17 116.55 133.15 1pms n ASP 522 Ca 0.22 -3.76 0.00 0.00 0.71 0.00 0.00 54.79 51.96 1pms n ASP 522 Cb 0.37 -1.01 0.00 0.00 -0.02 0.00 0.00 41.12 40.47 1pms n ASP 522 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1pms n ASP 523 N -0.76 0.11 -4.76 -2.24 8.00 -1.26 -5.02 116.55 110.62 1pms n ASP 523 Ca 0.59 -0.46 -0.39 0.00 0.71 0.00 0.00 54.79 55.24 1pms n ASP 523 Cb 0.57 0.64 -0.05 0.00 -0.02 0.00 0.00 41.12 42.25 1pms n ASP 523 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1pms s THR 524 N -0.64 4.82 0.67 -3.53 -4.23 -1.26 -4.90 115.64 106.57 1pms s THR 524 Ca 0.00 1.39 0.30 0.00 -1.18 0.00 0.00 61.69 62.21 1pms s THR 524 Cb 0.00 -4.00 0.31 0.00 1.34 0.00 0.00 72.50 70.14 1pms s THR 524 CO 0.00 0.41 1.94 0.28 -0.54 0.00 0.00 174.62 176.70 1pms h SER 525 N 5.56 0.00 0.31 3.99 0.02 -1.96 0.32 113.55 121.79 1pms h SER 525 Ca -0.45 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.19 1pms h SER 525 Cb 1.20 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.69 1pms h SER 525 CO 0.70 0.00 -1.95 -0.62 -1.14 0.00 0.00 176.83 173.81 1pms n GLU 526 N -2.90 0.65 0.00 3.45 1.02 -1.26 -5.07 120.64 116.53 1pms n GLU 526 Ca -0.02 0.17 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 1pms n GLU 526 Cb 0.37 -1.69 0.00 0.00 -0.02 0.00 0.00 31.44 30.10 1pms n GLU 526 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 1pms n TYR 527 N -2.91 -0.07 0.00 -0.32 9.36 0.11 -4.87 117.16 118.47 1pms n TYR 527 Ca -0.22 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.00 1pms n TYR 527 Cb 1.07 0.02 0.00 0.00 -0.63 0.00 0.00 39.34 39.80 1pms n TYR 527 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 1pms n LYS 528 N 0.00 0.00 -0.95 2.98 3.00 -1.26 -4.87 118.16 117.06 1pms n LYS 528 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1pms n LYS 528 Cb 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 35.03 34.82 1pms n LYS 528 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 1pms n HIS 529 N -1.51 0.00 -3.61 5.64 -0.00 -1.26 -4.95 115.22 109.54 1pms n HIS 529 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1pms n HIS 529 Cb 0.00 -0.26 0.00 0.00 -0.12 0.00 0.00 29.99 29.61 1pms n HIS 529 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1pms n ALA 530 N 1.00 0.00 -3.66 1.57 0.00 -1.26 -3.96 120.51 114.20 1pms n ALA 530 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1pms n ALA 530 Cb 0.03 0.00 -0.11 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 -1.92 -0.54 -0.54 0.00 0.40 -1.12 -4.62 117.98 109.64 1pms s PHE 531 Ca 0.00 1.18 -0.17 0.00 -0.60 0.00 0.00 56.93 57.34 1pms s PHE 531 Cb 0.00 0.22 0.11 0.00 0.51 0.00 0.00 43.02 43.86 1pms s PHE 531 CO 0.00 -0.31 0.54 -1.83 0.70 0.00 0.00 175.22 174.32 1pms s GLU 532 N 1.26 3.01 0.48 0.44 -1.05 -1.16 -2.95 118.70 118.73 1pms s GLU 532 Ca -0.09 -1.51 -0.04 0.00 -0.15 0.00 0.00 54.97 53.18 1pms s GLU 532 Cb -0.08 -4.26 -0.03 0.00 -0.44 0.00 0.00 34.13 29.33 1pms s GLU 532 CO -0.11 -1.34 0.76 0.42 0.95 0.00 0.00 175.26 175.95 1pms s ILE 533 N 1.94 4.69 0.09 1.83 1.09 -0.22 -2.38 121.20 128.24 1pms s ILE 533 Ca 0.06 0.04 0.06 0.00 -1.10 0.00 0.00 60.65 59.71 1pms s ILE 533 Cb -0.27 -3.78 -0.03 0.00 -1.06 0.00 0.00 42.46 37.32 1pms s ILE 533 CO 0.05 -0.72 -0.16 -0.63 -0.10 0.00 0.00 174.94 173.37 1pms s ILE 534 N -2.71 1.37 0.37 2.92 1.09 -1.06 0.53 121.20 123.70 1pms s ILE 534 Ca 0.47 -1.47 -0.08 0.00 -1.10 0.00 0.00 60.65 58.48 1pms s ILE 534 Cb -0.10 -1.33 -0.06 0.00 -1.06 0.00 0.00 42.46 39.91 1pms s ILE 534 CO 0.43 -0.21 0.69 -0.76 -0.10 0.00 0.00 174.94 175.00 1pms s LEU 535 N -1.95 3.89 -0.06 2.97 1.43 -0.82 -3.57 118.68 120.58 1pms s LEU 535 Ca 0.03 0.94 0.07 0.00 -1.03 0.00 0.00 54.13 54.14 1pms s LEU 535 Cb -0.09 -3.81 0.31 0.00 0.03 0.00 0.00 46.19 42.63 1pms s LEU 535 CO 0.03 -0.35 1.09 0.29 0.23 0.00 0.00 176.35 177.64 1pms n LYS 536 N -1.31 2.26 -0.07 1.70 4.76 -1.25 -3.72 118.16 120.52 1pms n LYS 536 Ca 0.00 -1.21 -0.10 0.00 -2.87 0.00 0.00 58.31 54.14 1pms n LYS 536 Cb 0.54 -1.60 -0.08 0.00 -1.84 0.00 0.00 35.03 32.05 1pms n LYS 536 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1pms n ASP 537 N 0.30 2.59 0.00 4.39 9.92 -1.26 -5.01 116.55 127.48 1pms n ASP 537 Ca 0.11 -0.06 0.00 0.00 -0.53 0.00 0.00 54.79 54.30 1pms n ASP 537 Cb 0.49 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.98 1pms n ASP 537 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1pms n GLY 538 N 2.63 -0.09 0.00 0.44 0.00 -1.24 -5.16 105.19 101.77 1pms n GLY 538 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 -3.71 1.61 3.02 -1.26 -4.95 115.26 109.97 1pms n ASN 539 Ca 0.00 -0.83 -0.14 0.00 -0.03 0.00 0.00 54.58 53.57 1pms n ASN 539 Cb 0.00 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.03 1pms n ASN 539 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1pms s SER 540 N -1.00 0.18 -0.99 6.41 0.01 -1.26 -1.94 113.70 115.11 1pms s SER 540 Ca 0.00 0.38 -0.14 0.00 1.31 0.00 0.00 55.95 57.50 1pms s SER 540 Cb 0.00 0.31 0.20 0.00 0.21 0.00 0.00 66.02 66.74 1pms s SER 540 CO 0.00 -0.19 1.07 -0.69 0.41 0.00 0.00 173.24 173.84 1pms s VAL 541 N 1.67 5.35 -0.20 3.43 1.01 0.19 -4.88 120.40 126.97 1pms s VAL 541 Ca -0.04 -2.47 -0.06 0.00 0.00 0.00 0.00 61.98 59.41 1pms s VAL 541 Cb -0.12 -4.67 -0.03 0.00 0.00 0.00 0.00 36.38 31.57 1pms s VAL 541 CO -0.07 -1.31 0.03 -0.63 0.00 0.00 0.00 175.10 173.13 1pms s ILE 542 N 0.81 4.25 0.39 2.22 -1.09 -1.26 -1.05 121.20 125.47 1pms s ILE 542 Ca 0.29 -0.21 0.05 0.00 -2.23 0.00 0.00 60.65 58.55 1pms s ILE 542 Cb -0.07 -2.93 -0.02 0.00 -1.58 0.00 0.00 42.46 37.86 1pms s ILE 542 CO -0.07 0.42 0.17 2.22 -1.23 0.00 0.00 174.94 176.45 1pms n PHE 543 N 4.15 -0.03 -3.66 3.97 -1.74 -1.15 -2.11 117.46 116.88 1pms n PHE 543 Ca -0.17 -2.66 -0.09 0.00 -0.56 0.00 0.00 57.45 53.97 1pms n PHE 543 Cb 0.52 0.05 -0.10 0.00 1.52 0.00 0.00 39.48 41.47 1pms n PHE 543 CO 0.00 0.00 0.00 -1.12 -0.56 0.00 0.00 176.76 175.08 1pms s SER 544 N -3.48 -0.19 0.32 5.98 0.01 -0.02 -2.77 113.70 113.56 1pms s SER 544 Ca 0.24 0.93 -0.26 0.00 1.31 0.00 0.00 55.95 58.17 1pms s SER 544 Cb 0.01 1.22 -0.10 0.00 0.21 0.00 0.00 66.02 67.36 1pms s SER 544 CO 0.17 -0.23 0.98 0.00 0.41 0.00 0.00 173.24 174.57 1pms s ALA 545 N 2.50 3.22 -0.11 1.44 0.00 -1.25 -1.28 121.76 126.28 1pms s ALA 545 Ca -0.02 0.60 -0.03 0.00 0.00 0.00 0.00 51.96 52.52 1pms s ALA 545 Cb -0.12 -3.22 -0.05 0.00 0.00 0.00 0.00 23.12 19.73 1pms s ALA 545 CO -0.12 0.08 2.68 1.63 0.00 0.00 0.00 175.76 180.02 1pms n LYS 546 N 0.62 1.66 -3.87 0.00 4.76 -1.26 -4.60 118.16 115.47 1pms n LYS 546 Ca 0.02 -0.91 0.00 0.00 -2.87 0.00 0.00 58.31 54.56 1pms n LYS 546 Cb 0.49 -1.60 0.01 0.00 -1.84 0.00 0.00 35.03 32.09 1pms n LYS 546 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1pms s SER 547 N 1.50 -0.02 -0.09 4.39 0.15 -1.26 -4.98 113.70 113.38 1pms s SER 547 Ca 0.36 -0.34 0.00 0.00 0.70 0.00 0.00 55.95 56.67 1pms s SER 547 Cb 0.20 0.28 -0.25 0.00 -1.71 0.00 0.00 66.02 64.53 1pms s SER 547 CO -0.03 -0.54 0.48 0.00 1.20 0.00 0.00 173.24 174.35 1pms n ALA 548 N -0.73 1.09 0.12 5.45 0.00 -1.26 -3.13 120.51 122.06 1pms n ALA 548 Ca -0.01 -0.65 0.05 0.00 0.00 0.00 0.00 53.44 52.83 1pms n ALA 548 Cb 0.60 -0.75 0.02 0.00 0.00 0.00 0.00 19.45 19.33 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 0.05 0.00 0.04 0.00 5.08 -1.97 -3.10 114.58 114.67 1pms h GLU 549 Ca -0.37 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 57.75 1pms h GLU 549 Cb 2.03 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.28 1pms h GLU 549 CO 0.09 0.28 -1.02 0.93 -1.00 0.00 0.00 179.01 178.28 1pms h GLU 550 N 0.00 0.27 -0.02 2.33 5.08 -1.94 -1.68 114.58 118.61 1pms h GLU 550 Ca -0.04 -0.34 -0.01 0.00 -1.00 0.00 0.00 59.36 57.96 1pms h GLU 550 Cb 1.30 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.66 1pms h GLU 550 CO 0.04 1.08 -0.04 1.57 -1.00 0.00 0.00 179.01 180.66 1pms h LYS 551 N 0.12 0.07 0.00 2.33 2.10 -1.61 -2.82 116.57 116.77 1pms h LYS 551 Ca -0.08 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.53 1pms h LYS 551 Cb 1.69 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.03 1pms h LYS 551 CO 0.16 0.60 0.00 0.09 -2.00 0.00 0.00 179.45 178.30 1pms n ASN 552 N -4.77 0.00 0.02 7.07 4.13 -1.17 -2.69 115.26 117.85 1pms n ASN 552 Ca -0.08 0.44 -0.05 0.00 1.68 0.00 0.00 54.58 56.57 1pms n ASN 552 Cb 0.30 -0.48 -0.03 0.00 -1.54 0.00 0.00 39.78 38.04 1pms n ASN 552 CO 0.00 0.00 0.00 0.78 0.28 0.00 0.00 177.26 178.32 1pms h ASN 553 N 0.00 -0.13 -0.28 6.41 -0.26 -1.05 -2.86 115.58 117.40 1pms h ASN 553 Ca 0.00 -0.14 -0.06 0.00 -0.56 0.00 0.00 56.30 55.54 1pms h ASN 553 Cb 0.31 0.03 -0.02 0.00 -1.06 0.00 0.00 38.32 37.59 1pms h ASN 553 CO 0.00 0.41 -0.02 -0.50 -1.06 0.00 0.00 177.43 176.26 1pms h TRP 554 N -1.02 0.66 -0.77 1.19 4.06 -1.56 -2.26 115.95 116.25 1pms h TRP 554 Ca -0.02 -0.08 0.08 0.00 2.06 0.00 0.00 58.89 60.93 1pms h TRP 554 Cb 0.26 -0.19 -0.07 0.00 -1.00 0.00 0.00 29.16 28.17 1pms h TRP 554 CO 0.04 0.65 0.44 1.98 -3.56 0.00 0.00 178.44 177.98 1pms h MET 555 N 0.60 0.74 -0.08 0.49 1.85 -1.62 -1.12 114.93 115.79 1pms h MET 555 Ca 0.12 -0.04 -0.14 0.00 -0.61 0.00 0.00 59.70 59.03 1pms h MET 555 Cb 0.41 -0.17 -0.01 0.00 0.43 0.00 0.00 31.60 32.26 1pms h MET 555 CO 0.02 0.49 -0.57 0.00 -0.40 0.00 0.00 176.91 176.45 1pms h ALA 556 N 1.41 0.89 0.00 0.39 0.00 -1.18 -2.63 119.26 118.14 1pms h ALA 556 Ca 0.36 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1pms h ALA 556 Cb 0.28 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1pms h ALA 556 CO -0.22 0.71 0.00 0.00 0.00 0.00 0.00 179.25 179.74 1pms h ALA 557 N 1.22 1.00 0.00 0.00 0.00 -0.69 0.26 119.26 121.05 1pms h ALA 557 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pms h ALA 557 Cb 1.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1pms h ALA 557 CO 0.09 0.00 -0.08 -0.07 0.00 0.00 0.00 179.25 179.19 1pms h LEU 558 N 0.00 0.00 -0.70 0.00 3.38 -1.08 -3.22 115.31 113.69 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 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1pms h LEU 558 CO 0.00 0.38 0.00 -0.38 0.09 0.00 0.00 178.44 178.53 1pms n ILE 559 N -3.86 1.28 -0.07 1.22 -0.00 -1.17 -1.18 119.36 115.58 1pms n ILE 559 Ca -0.01 0.52 -0.14 0.00 -0.00 0.00 0.00 62.75 63.12 1pms n ILE 559 Cb 0.04 -1.47 -0.06 0.00 -0.00 0.00 0.00 39.64 38.15 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 0.66 0.55 4.38 0.02 -0.56 -3.10 113.55 115.50 1pms h SER 560 Ca 0.00 -0.52 0.00 0.00 -0.84 0.00 0.00 61.79 60.43 1pms h SER 560 Cb 0.10 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.45 1pms h SER 560 CO 0.00 1.06 -0.60 0.18 -1.14 0.00 0.00 176.83 176.33 1pms n LEU 561 N -4.29 0.56 -0.22 5.07 7.99 -0.61 -4.16 117.00 121.35 1pms n LEU 561 Ca -0.05 0.03 0.01 0.00 -0.01 0.00 0.00 56.01 55.99 1pms n LEU 561 Cb 0.50 -0.21 0.13 0.00 -0.11 0.00 0.00 43.42 43.72 1pms n LEU 561 CO 0.45 0.08 1.01 -0.61 -1.51 0.00 0.00 177.39 176.81 1pms h GLN 562 N 0.00 0.45 -0.60 3.23 4.15 -1.07 -2.66 115.11 118.61 1pms h GLN 562 Ca 0.00 -0.03 0.07 0.00 0.77 0.00 0.00 58.65 59.46 1pms h GLN 562 Cb 0.57 -0.10 -0.10 0.00 0.21 0.00 0.00 27.48 28.07 1pms h GLN 562 CO 0.00 0.29 -0.54 0.10 -1.93 0.00 0.00 178.83 176.75 1pms h TYR 563 N 0.46 -1.66 0.00 3.99 -0.00 -1.72 -3.45 116.97 114.58 1pms h TYR 563 Ca 0.34 0.09 0.00 0.00 -0.00 0.00 0.00 58.73 59.16 1pms h TYR 563 Cb 0.42 0.81 0.00 0.00 -0.00 0.00 0.00 36.73 37.95 1pms h TYR 563 CO -0.15 -0.45 0.00 2.89 -0.00 0.00 0.00 178.16 180.45 1pms n ARG 564 N -5.35 0.00 0.00 0.10 -4.01 -1.00 -5.21 116.66 101.19 1pms n ARG 564 Ca -0.01 0.00 0.05 0.00 -1.04 0.00 0.00 57.85 56.85 1pms n ARG 564 Cb 0.32 0.00 0.31 0.00 -3.04 0.00 0.00 32.46 30.05 1pms n ARG 564 CO 0.00 0.00 0.00 0.45 -3.04 0.00 0.00 177.63 175.04