#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uuw s ILE 503 N 0.00 4.62 -0.37 3.17 -1.09 -1.26 -5.06 121.20 121.21 1uuw s ILE 503 Ca 0.00 2.03 -0.09 0.00 -2.23 0.00 0.00 60.65 60.36 1uuw s ILE 503 Cb 0.00 -4.30 0.05 0.00 -1.58 0.00 0.00 42.46 36.62 1uuw s ILE 503 CO 0.00 0.28 0.18 0.21 -1.23 0.00 0.00 174.94 174.37 1uuw s ASN 504 N 0.27 5.53 0.00 3.58 3.84 -1.26 -4.98 114.94 121.92 1uuw s ASN 504 Ca 0.47 -1.19 0.23 0.00 0.21 0.00 0.00 52.86 52.59 1uuw s ASN 504 Cb -0.22 -1.95 1.04 0.00 -0.55 0.00 0.00 41.25 39.57 1uuw s ASN 504 CO 0.29 -0.40 1.75 2.30 -2.79 0.00 0.00 177.10 178.25 1uuw n ILE 505 N 4.90 0.37 0.10 -5.21 -5.35 -1.26 -0.40 119.36 112.50 1uuw n ILE 505 Ca -0.12 0.09 -0.04 0.00 -0.27 0.00 0.00 62.75 62.41 1uuw n ILE 505 Cb 0.45 -0.70 0.03 0.00 -1.74 0.00 0.00 39.64 37.68 1uuw n ILE 505 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 1uuw h GLN 506 N 0.00 0.01 0.02 6.28 4.20 -1.94 -3.35 115.11 120.33 1uuw h GLN 506 Ca 0.00 -0.02 -0.30 0.00 0.06 0.00 0.00 58.65 58.40 1uuw h GLN 506 Cb 0.35 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.10 1uuw h GLN 506 CO 0.00 0.81 -1.62 0.39 -0.67 0.00 0.00 178.83 177.74 1uuw n GLU 507 N -3.59 0.60 -2.72 1.46 1.02 -0.76 -4.56 120.64 112.07 1uuw n GLU 507 Ca -0.01 0.47 -0.43 0.00 -0.02 0.00 0.00 57.16 57.17 1uuw n GLU 507 Cb 0.77 -1.69 0.00 0.00 -0.02 0.00 0.00 31.44 30.50 1uuw n GLU 507 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1uuw n ASP 508 N -4.24 5.05 0.27 1.62 10.43 0.46 -4.83 116.55 125.32 1uuw n ASP 508 Ca -0.37 -2.94 0.18 0.00 2.57 0.00 0.00 54.79 54.24 1uuw n ASP 508 Cb 0.78 -1.68 0.92 0.00 1.84 0.00 0.00 41.12 42.98 1uuw n ASP 508 CO 0.00 0.00 0.00 0.11 -1.07 0.00 0.00 177.20 176.24 1uuw h LYS 509 N 7.38 0.00 -0.01 -1.24 1.57 -1.81 -2.13 116.57 120.34 1uuw h LYS 509 Ca 0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.18 1uuw h LYS 509 Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.18 1uuw h LYS 509 CO 1.38 0.00 -0.19 1.28 -0.57 0.00 0.00 179.45 181.35 1uuw n LEU 510 N -2.86 1.20 -4.69 2.94 4.77 -1.26 -4.91 117.00 112.19 1uuw n LEU 510 Ca -0.01 -0.35 -0.38 0.00 -0.03 0.00 0.00 56.01 55.24 1uuw n LEU 510 Cb 0.13 -0.09 -0.07 0.00 -2.33 0.00 0.00 43.42 41.07 1uuw n LEU 510 CO 0.20 0.22 0.17 -0.69 -1.33 0.00 0.00 177.39 175.96 1uuw s VAL 511 N -2.36 5.16 0.49 4.08 1.01 -0.80 -5.07 120.40 122.92 1uuw s VAL 511 Ca 0.28 0.89 -0.19 0.00 0.00 0.00 0.00 61.98 62.96 1uuw s VAL 511 Cb 0.20 -3.80 -0.08 0.00 0.00 0.00 0.00 36.38 32.69 1uuw s VAL 511 CO 0.47 0.26 1.00 -0.94 0.00 0.00 0.00 175.10 175.89 1uuw s SER 512 N 0.90 6.51 0.23 3.32 1.04 -1.26 -4.91 113.70 119.53 1uuw s SER 512 Ca 0.23 1.76 -0.08 0.00 0.48 0.00 0.00 55.95 58.35 1uuw s SER 512 Cb -0.15 -2.54 0.24 0.00 0.10 0.00 0.00 66.02 63.67 1uuw s SER 512 CO 0.09 -0.66 1.87 0.00 0.98 0.00 0.00 173.24 175.52 1uuw h ALA 513 N 1.37 1.08 -0.15 5.32 0.00 -1.99 -1.74 119.26 123.14 1uuw h ALA 513 Ca -0.48 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.42 1uuw h ALA 513 Cb 1.20 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1uuw h ALA 513 CO 0.60 0.37 -0.06 1.25 0.00 0.00 0.00 179.25 181.41 1uuw h HIS 514 N 1.04 -0.13 -0.82 0.00 -0.00 -2.00 -0.49 115.15 112.75 1uuw h HIS 514 Ca 0.33 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.71 1uuw h HIS 514 Cb -0.01 0.08 -0.04 0.00 -0.00 0.00 0.00 27.41 27.44 1uuw h HIS 514 CO -0.02 -0.10 0.52 -0.44 -0.00 0.00 0.00 177.93 177.89 1uuw h ASP 515 N -0.03 0.97 -0.82 3.26 3.45 -1.78 -1.25 116.42 120.20 1uuw h ASP 515 Ca 0.08 -0.04 -0.03 0.00 0.43 0.00 0.00 57.03 57.47 1uuw h ASP 515 Cb 0.15 -0.24 -0.04 0.00 -0.56 0.00 0.00 39.33 38.64 1uuw h ASP 515 CO -0.18 0.72 0.40 0.00 -1.57 0.00 0.00 179.24 178.61 1uuw h ALA 516 N 1.28 1.06 -0.08 3.45 0.00 -0.97 -2.15 119.26 121.85 1uuw h ALA 516 Ca 0.30 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.07 1uuw h ALA 516 Cb -0.09 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.35 1uuw h ALA 516 CO -0.06 0.62 -0.05 0.93 0.00 0.00 0.00 179.25 180.69 1uuw h GLU 517 N 1.17 -0.05 -0.75 0.00 5.08 -0.05 -2.80 114.58 117.18 1uuw h GLU 517 Ca 0.28 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.63 1uuw h GLU 517 Cb 0.12 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 1uuw h GLU 517 CO -0.04 -0.03 0.40 0.93 -1.00 0.00 0.00 179.01 179.28 1uuw h GLU 518 N -0.05 1.04 0.00 2.33 4.39 -0.93 -2.64 114.58 118.71 1uuw h GLU 518 Ca 0.05 -0.12 -0.10 0.00 0.34 0.00 0.00 59.36 59.53 1uuw h GLU 518 Cb 0.12 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 1uuw h GLU 518 CO -0.11 0.76 -0.48 0.97 -1.16 0.00 0.00 179.01 178.99 1uuw h ILE 519 N 1.04 1.00 -0.64 3.13 2.10 -1.30 -2.83 117.51 120.01 1uuw h ILE 519 Ca 0.26 -1.91 -0.06 0.00 1.08 0.00 0.00 64.86 64.23 1uuw h ILE 519 Cb 0.03 2.15 -0.03 0.00 -1.09 0.00 0.00 36.82 37.89 1uuw h ILE 519 CO -0.04 0.47 0.14 0.25 -1.08 0.00 0.00 178.15 177.89 1uuw h LEU 520 N 0.00 0.97 -2.07 2.19 5.85 -1.20 -2.70 115.31 118.34 1uuw h LEU 520 Ca -0.00 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.50 1uuw h LEU 520 Cb 1.11 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.89 1uuw h LEU 520 CO 0.06 0.94 -0.06 -0.09 -0.34 0.00 0.00 178.44 178.95 1uuw h ARG 521 N 0.97 0.00 0.00 1.25 2.43 -1.37 -3.18 114.38 114.48 1uuw h ARG 521 Ca 0.20 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 1uuw h ARG 521 Cb 0.36 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 1uuw h ARG 521 CO 0.00 0.06 -1.53 1.19 -1.51 0.00 0.00 179.97 178.19 1uuw n PHE 522 N -3.38 0.00 1.69 2.20 3.72 -1.09 -4.22 117.46 116.38 1uuw n PHE 522 Ca -0.02 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.49 1uuw n PHE 522 Cb 0.21 -0.29 0.65 0.00 -0.94 0.00 0.00 39.48 39.11 1uuw n PHE 522 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1uuw n PHE 523 N -1.92 0.00 -0.86 1.38 3.72 -1.04 -3.45 117.46 115.30 1uuw n PHE 523 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 1uuw n PHE 523 Cb 0.39 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.94 1uuw n PHE 523 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1uuw n ASN 524 N -0.90 0.32 -4.06 4.37 3.02 -1.26 -4.80 115.26 111.95 1uuw n ASN 524 Ca 0.16 -1.18 -0.38 0.00 -0.03 0.00 0.00 54.58 53.15 1uuw n ASN 524 Cb 0.07 -0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.20 1uuw n ASN 524 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1uuw s HIS 526 N -1.79 2.77 -0.40 0.00 -3.43 -1.26 -4.85 115.29 106.34 1uuw s HIS 526 Ca 0.31 -1.24 0.06 0.00 -0.80 0.00 0.00 55.06 53.39 1uuw s HIS 526 Cb -0.03 -4.62 0.17 0.00 -1.43 0.00 0.00 32.58 26.68 1uuw s HIS 526 CO -0.06 -1.79 0.53 0.34 -2.00 0.00 0.00 174.74 171.76 1uuw s ASP 527 N 4.39 -0.43 0.34 7.38 -1.08 -1.26 -5.06 116.67 120.96 1uuw s ASP 527 Ca 0.46 -1.14 0.03 0.00 -0.52 0.00 0.00 52.55 51.38 1uuw s ASP 527 Cb 0.00 1.39 0.63 0.00 -1.46 0.00 0.00 42.92 43.47 1uuw s ASP 527 CO -0.04 -0.20 1.97 0.28 0.52 0.00 0.00 175.17 177.69 1uuw h SER 528 N 6.99 0.77 -0.14 -0.34 0.02 -1.99 -3.04 113.55 115.82 1uuw h SER 528 Ca 0.05 -0.01 -0.17 0.00 -0.84 0.00 0.00 61.79 60.82 1uuw h SER 528 Cb 1.13 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 63.49 1uuw h SER 528 CO 0.14 0.53 -0.55 0.00 -1.14 0.00 0.00 176.83 175.80 1uuw h ALA 529 N 1.57 0.57 -0.34 3.77 0.00 -1.99 -2.61 119.26 120.24 1uuw h ALA 529 Ca 0.30 -0.52 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 1uuw h ALA 529 Cb 0.07 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1uuw h ALA 529 CO -0.09 0.69 -0.04 1.25 0.00 0.00 0.00 179.25 181.05 1uuw h LEU 530 N 0.56 0.51 -0.51 0.00 5.85 -1.94 -0.99 115.31 118.79 1uuw h LEU 530 Ca 0.01 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.56 1uuw h LEU 530 Cb 1.13 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 1uuw h LEU 530 CO 0.11 0.62 0.08 -0.61 -0.34 0.00 0.00 178.44 178.30 1uuw h GLN 531 N 0.51 0.85 -0.34 1.25 -0.00 -1.42 -1.17 115.11 114.80 1uuw h GLN 531 Ca 0.10 -0.23 -0.17 0.00 -0.00 0.00 0.00 58.65 58.35 1uuw h GLN 531 Cb 0.40 -0.10 -0.00 0.00 0.00 0.00 0.00 27.48 27.78 1uuw h GLN 531 CO 0.02 0.84 -0.45 1.96 0.00 0.00 0.00 178.83 181.20 1uuw h GLN 532 N 0.73 0.88 -0.38 1.69 7.50 -1.19 -1.34 115.11 123.01 1uuw h GLN 532 Ca 0.15 -0.50 0.02 0.00 0.50 0.00 0.00 58.65 58.82 1uuw h GLN 532 Cb 0.41 0.03 -0.02 0.00 0.05 0.00 0.00 27.48 27.95 1uuw h GLN 532 CO 0.01 1.14 0.22 1.49 -1.50 0.00 0.00 178.83 180.20 1uuw h GLU 533 N 0.71 0.44 -0.78 1.46 4.81 -1.01 -1.63 114.58 118.57 1uuw h GLU 533 Ca 0.04 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.20 1uuw h GLU 533 Cb 1.04 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.29 1uuw h GLU 533 CO 0.10 0.29 0.32 0.00 -0.73 0.00 0.00 179.01 179.00 1uuw h ALA 534 N 1.17 1.09 -0.24 2.92 0.00 -1.10 -0.80 119.26 122.29 1uuw h ALA 534 Ca 0.15 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1uuw h ALA 534 Cb 0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1uuw h ALA 534 CO -0.07 0.65 0.15 1.15 0.00 0.00 0.00 179.25 181.14 1uuw h THR 535 N 1.13 1.08 -0.00 0.00 2.02 -0.83 -1.67 112.91 114.64 1uuw h THR 535 Ca 0.26 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.26 1uuw h THR 535 Cb 0.20 0.76 -0.00 0.00 -1.74 0.00 0.00 68.15 67.37 1uuw h THR 535 CO -0.02 0.08 0.00 0.74 0.37 0.00 0.00 175.52 176.69 1uuw h THR 536 N 0.32 1.01 -0.60 3.16 2.02 -0.93 -1.06 112.91 116.82 1uuw h THR 536 Ca 0.09 -0.03 0.12 0.00 0.77 0.00 0.00 66.41 67.36 1uuw h THR 536 Cb -0.00 1.03 -0.10 0.00 -1.74 0.00 0.00 68.15 67.33 1uuw h THR 536 CO -0.02 0.01 0.02 -0.07 0.37 0.00 0.00 175.52 175.83 1uuw h LEU 537 N -0.01 -0.23 -0.36 2.58 3.38 -0.87 -1.29 115.31 118.51 1uuw h LEU 537 Ca 0.00 0.14 -0.18 0.00 0.09 0.00 0.00 57.88 57.93 1uuw h LEU 537 Cb 0.01 0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1uuw h LEU 537 CO -0.00 -0.09 -0.62 -0.07 0.09 0.00 0.00 178.44 177.75 1uuw h LEU 538 N 0.13 0.79 -0.50 1.67 3.38 -1.03 -1.76 115.31 118.01 1uuw h LEU 538 Ca 0.31 -0.45 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 1uuw h LEU 538 Cb 0.50 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1uuw h LEU 538 CO -0.50 1.22 0.09 0.74 0.09 0.00 0.00 178.44 180.08 1uuw h THR 539 N 0.52 1.25 -0.65 0.22 2.02 -0.89 -0.20 112.91 115.18 1uuw h THR 539 Ca -0.01 -0.92 -0.06 0.00 0.77 0.00 0.00 66.41 66.20 1uuw h THR 539 Cb 1.20 0.88 -0.03 0.00 -1.74 0.00 0.00 68.15 68.47 1uuw h THR 539 CO 0.12 0.33 0.17 1.56 0.37 0.00 0.00 175.52 178.07 1uuw h GLN 540 N 0.70 1.02 -0.53 6.66 4.20 -1.21 -1.74 115.11 124.20 1uuw h GLN 540 Ca 0.15 -0.24 -0.00 0.00 0.06 0.00 0.00 58.65 58.62 1uuw h GLN 540 Cb 0.39 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.00 1uuw h GLN 540 CO 0.01 0.91 0.32 1.49 -0.67 0.00 0.00 178.83 180.89 1uuw h GLU 541 N 0.95 0.72 -0.75 1.46 4.81 -1.04 -1.85 114.58 118.88 1uuw h GLU 541 Ca 0.20 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.33 1uuw h GLU 541 Cb 0.34 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 1uuw h GLU 541 CO -0.00 0.52 0.33 0.00 -0.73 0.00 0.00 179.01 179.13 1uuw h ALA 542 N 1.16 0.97 0.20 2.92 0.00 -0.83 -1.50 119.26 122.17 1uuw h ALA 542 Ca 0.19 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1uuw h ALA 542 Cb -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.48 1uuw h ALA 542 CO -0.04 0.56 -0.09 1.25 0.00 0.00 0.00 179.25 180.94 1uuw h HIS 543 N 1.07 -0.24 -0.33 0.00 -0.00 -1.08 0.43 115.15 115.00 1uuw h HIS 543 Ca 0.25 -0.01 0.04 0.00 -0.00 0.00 0.00 60.37 60.65 1uuw h HIS 543 Cb 0.17 0.08 -0.04 0.00 -0.00 0.00 0.00 27.41 27.62 1uuw h HIS 543 CO 0.01 -0.09 0.12 -0.07 -0.00 0.00 0.00 177.93 177.91 1uuw h LEU 544 N -0.34 0.14 -0.38 0.26 3.38 -1.26 -1.85 115.31 115.25 1uuw h LEU 544 Ca -0.03 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1uuw h LEU 544 Cb 0.26 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 1uuw h LEU 544 CO 0.04 0.12 0.16 -0.07 0.09 0.00 0.00 178.44 178.78 1uuw h LEU 545 N 0.27 0.21 -1.95 1.67 4.07 -1.02 -1.89 115.31 116.67 1uuw h LEU 545 Ca 0.15 0.03 0.01 0.00 0.08 0.00 0.00 57.88 58.14 1uuw h LEU 545 Cb 0.11 -0.01 -0.00 0.00 1.08 0.00 0.00 40.66 41.84 1uuw h LEU 545 CO -0.15 0.16 0.04 0.44 -1.08 0.00 0.00 178.44 177.86 1uuw h ASP 546 N 0.34 0.05 -0.18 -0.43 5.19 0.63 0.37 116.42 122.39 1uuw h ASP 546 Ca 0.17 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.58 1uuw h ASP 546 Cb 0.11 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 39.61 1uuw h ASP 546 CO -0.14 0.04 0.00 2.30 -3.12 0.00 0.00 179.24 178.32 1uuw n ILE 547 N -4.53 0.23 -2.30 0.35 -5.35 -0.77 -4.32 119.36 102.67 1uuw n ILE 547 Ca -0.02 -0.42 -0.13 0.00 -0.27 0.00 0.00 62.75 61.91 1uuw n ILE 547 Cb 0.10 0.58 -0.00 0.00 -1.74 0.00 0.00 39.64 38.57 1uuw n ILE 547 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1uuw n GLN 548 N 0.59 -1.27 -1.95 6.28 6.02 0.12 -4.92 117.38 122.25 1uuw n GLN 548 Ca 0.17 0.64 -0.41 0.00 -0.01 0.00 0.00 57.00 57.39 1uuw n GLN 548 Cb 0.40 -4.88 -0.00 0.00 1.02 0.00 0.00 30.24 26.78 1uuw n GLN 548 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1uuw n ALA 549 N -1.77 6.09 -0.08 -1.58 0.00 -0.74 -4.76 120.51 117.66 1uuw n ALA 549 Ca -0.15 -4.03 -0.03 0.00 0.00 0.00 0.00 53.44 49.22 1uuw n ALA 549 Cb 0.62 -3.14 0.19 0.00 0.00 0.00 0.00 19.45 17.12 1uuw n ALA 549 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1uuw h TYR 550 N 5.43 0.76 -0.42 0.00 0.99 -1.92 -0.99 116.97 120.83 1uuw h TYR 550 Ca 0.58 -0.10 -0.10 0.00 2.00 0.00 0.00 58.73 61.12 1uuw h TYR 550 Cb 0.50 -0.21 -0.01 0.00 1.00 0.00 0.00 36.73 38.01 1uuw h TYR 550 CO 1.48 0.72 -0.11 0.00 -0.00 0.00 0.00 178.16 180.25 1uuw h ARG 551 N 0.68 0.82 -0.60 4.88 3.08 -1.95 -2.14 114.38 119.15 1uuw h ARG 551 Ca 0.13 -0.32 0.03 0.00 0.07 0.00 0.00 59.98 59.89 1uuw h ARG 551 Cb 0.43 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.40 1uuw h ARG 551 CO 0.02 0.94 0.37 0.00 -1.07 0.00 0.00 179.97 180.23 1uuw h ALA 552 N 0.85 0.77 -0.22 0.04 0.00 -1.84 -0.76 119.26 118.11 1uuw h ALA 552 Ca 0.11 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.04 1uuw h ALA 552 Cb 0.65 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 1uuw h ALA 552 CO 0.04 0.10 -0.04 2.35 0.00 0.00 0.00 179.25 181.71 1uuw h TRP 553 N 0.72 -0.08 -0.32 0.00 7.01 -1.08 0.13 115.95 122.32 1uuw h TRP 553 Ca 0.24 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.26 1uuw h TRP 553 Cb 0.02 0.07 -0.02 0.00 -2.10 0.00 0.00 29.16 27.14 1uuw h TRP 553 CO -0.06 -0.07 0.21 1.25 -2.79 0.00 0.00 178.44 176.98 1uuw h LEU 554 N 0.02 0.37 -0.34 0.65 5.85 -0.78 0.31 115.31 121.40 1uuw h LEU 554 Ca 0.10 -0.02 -0.13 0.00 0.84 0.00 0.00 57.88 58.68 1uuw h LEU 554 Cb 0.15 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 1uuw h LEU 554 CO -0.21 0.28 -0.28 -0.08 -0.34 0.00 0.00 178.44 177.81 1uuw h GLU 555 N 0.43 0.78 0.00 1.25 4.81 -0.91 -3.17 114.58 117.77 1uuw h GLU 555 Ca 0.12 -0.39 -0.11 0.00 -0.13 0.00 0.00 59.36 58.85 1uuw h GLU 555 Cb -0.04 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 1uuw h GLU 555 CO -0.02 1.02 -2.11 1.58 -0.73 0.00 0.00 179.01 178.75 1uuw n HIS 556 N -4.22 0.00 0.08 0.92 -0.00 0.42 -4.68 115.22 107.74 1uuw n HIS 556 Ca -0.03 0.00 0.02 0.00 0.46 0.00 0.00 57.72 58.17 1uuw n HIS 556 Cb 0.47 -0.64 -0.03 0.00 -0.12 0.00 0.00 29.99 29.67 1uuw n HIS 556 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1uuw s VAL 558 N -1.97 2.81 0.47 0.00 1.01 -1.14 0.35 120.40 121.93 1uuw s VAL 558 Ca -0.00 -0.73 -0.20 0.00 0.00 0.00 0.00 61.98 61.05 1uuw s VAL 558 Cb 0.03 -2.19 -0.09 0.00 0.00 0.00 0.00 36.38 34.13 1uuw s VAL 558 CO 0.19 0.51 0.99 -0.83 0.00 0.00 0.00 175.10 175.97 1uuw s GLY 559 N 0.71 2.38 0.53 4.51 0.00 0.15 -4.77 107.32 110.84 1uuw s GLY 559 Ca -0.06 0.46 0.26 0.00 0.00 0.00 0.00 44.72 45.37 1uuw s GLY 559 CO 0.02 0.75 2.12 1.48 0.00 0.00 0.00 173.10 177.47 1uuw h SER 560 N 1.58 0.00 -0.52 1.64 4.64 -1.95 -1.66 113.55 117.28 1uuw h SER 560 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1uuw h SER 560 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1uuw h SER 560 CO 0.60 0.09 0.00 -0.62 -0.87 0.00 0.00 176.83 176.03 1uuw n GLU 561 N -3.81 4.20 -1.76 4.77 4.71 -1.26 -4.45 120.64 123.04 1uuw n GLU 561 Ca -0.02 -2.71 -0.39 0.00 -0.01 0.00 0.00 57.16 54.02 1uuw n GLU 561 Cb 0.19 -2.10 0.03 0.00 -1.01 0.00 0.00 31.44 28.55 1uuw n GLU 561 CO 0.00 0.00 0.00 1.55 0.09 0.00 0.00 177.13 178.77 1uuw n VAL 562 N 0.65 3.21 -4.08 2.62 3.14 -0.62 -4.88 118.33 118.37 1uuw n VAL 562 Ca 0.24 -0.50 -0.32 0.00 -2.96 0.00 0.00 64.34 60.80 1uuw n VAL 562 Cb 1.02 -1.79 -0.15 0.00 -1.06 0.00 0.00 33.84 31.86 1uuw n VAL 562 CO 0.00 0.00 0.00 -1.58 -6.46 0.00 0.00 176.83 168.79 1uuw s GLN 563 N -2.63 2.50 -0.45 1.45 0.74 -0.77 -4.15 119.66 116.36 1uuw s GLN 563 Ca 0.65 -1.10 -0.08 0.00 0.05 0.00 0.00 55.36 54.88 1uuw s GLN 563 Cb -0.43 -2.72 0.11 0.00 1.10 0.00 0.00 33.01 31.07 1uuw s GLN 563 CO 0.54 -0.42 0.30 -0.47 -0.55 0.00 0.00 175.29 174.70 1uuw s TYR 564 N 1.20 3.44 -0.07 1.67 5.04 0.04 -1.48 117.35 127.19 1uuw s TYR 564 Ca -0.03 -1.91 0.03 0.00 -2.44 0.00 0.00 57.07 52.73 1uuw s TYR 564 Cb -0.17 -3.34 0.00 0.00 0.35 0.00 0.00 41.96 38.81 1uuw s TYR 564 CO -0.08 -0.96 -0.18 -1.14 -1.34 0.00 0.00 175.55 171.85 1uuw s GLN 565 N 1.33 2.19 -0.08 4.97 0.74 -0.29 -0.83 119.66 127.70 1uuw s GLN 565 Ca 0.06 -0.63 -0.00 0.00 0.05 0.00 0.00 55.36 54.83 1uuw s GLN 565 Cb -0.25 -1.76 0.03 0.00 1.10 0.00 0.00 33.01 32.13 1uuw s GLN 565 CO -0.01 0.14 -0.03 0.08 -0.55 0.00 0.00 175.29 174.92 1uuw s VAL 566 N 0.38 0.62 0.18 1.34 1.01 -0.13 -1.52 120.40 122.28 1uuw s VAL 566 Ca -0.13 -0.06 0.08 0.00 0.00 0.00 0.00 61.98 61.86 1uuw s VAL 566 Cb -0.15 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 1uuw s VAL 566 CO 0.05 0.29 -0.02 0.27 0.00 0.00 0.00 175.10 175.69 1uuw s ILE 567 N 1.65 3.61 -0.24 2.22 -4.36 -0.28 0.02 121.20 123.81 1uuw s ILE 567 Ca 0.01 -1.50 0.02 0.00 -0.26 0.00 0.00 60.65 58.93 1uuw s ILE 567 Cb -0.13 -2.82 0.05 0.00 1.25 0.00 0.00 42.46 40.82 1uuw s ILE 567 CO -0.05 -0.13 -0.11 -0.55 0.24 0.00 0.00 174.94 174.34 1uuw s SER 568 N -2.98 4.16 -0.08 4.36 0.15 -0.54 -1.61 113.70 117.16 1uuw s SER 568 Ca 0.27 -1.26 -0.22 0.00 0.70 0.00 0.00 55.95 55.44 1uuw s SER 568 Cb -0.09 -1.47 -0.04 0.00 -1.71 0.00 0.00 66.02 62.71 1uuw s SER 568 CO 0.18 -0.17 0.66 -0.60 1.20 0.00 0.00 173.24 174.51 1uuw s ARG 569 N 1.18 4.41 0.34 5.44 3.52 -1.26 -1.99 118.95 130.57 1uuw s ARG 569 Ca -0.07 0.79 -0.29 0.00 -0.13 0.00 0.00 55.73 56.04 1uuw s ARG 569 Cb -0.19 -3.45 -0.11 0.00 -1.56 0.00 0.00 34.95 29.64 1uuw s ARG 569 CO -0.06 0.06 1.42 -2.00 -0.81 0.00 0.00 175.30 173.90 1uuw s GLU 570 N 0.85 4.23 -0.31 5.12 2.12 0.68 -4.92 118.70 126.48 1uuw s GLU 570 Ca 0.35 2.39 -0.29 0.00 0.36 0.00 0.00 54.97 57.78 1uuw s GLU 570 Cb -0.17 -3.03 0.00 0.00 0.26 0.00 0.00 34.13 31.19 1uuw s GLU 570 CO 0.16 -0.39 1.29 -0.51 -0.54 0.00 0.00 175.26 175.27 1uuw s LEU 571 N -1.63 3.86 0.28 2.70 1.02 -1.26 -4.99 118.68 118.66 1uuw s LEU 571 Ca 0.53 1.16 0.08 0.00 0.02 0.00 0.00 54.13 55.91 1uuw s LEU 571 Cb -0.43 -3.54 -0.06 0.00 0.02 0.00 0.00 46.19 42.18 1uuw s LEU 571 CO 0.55 -1.09 -0.08 -0.13 0.02 0.00 0.00 176.35 175.62 1uuw s ARG 572 N 4.18 1.58 0.35 1.70 1.81 -1.26 -5.12 118.95 122.19 1uuw s ARG 572 Ca 0.56 -1.79 -0.28 0.00 -1.72 0.00 0.00 55.73 52.49 1uuw s ARG 572 Cb -0.16 -1.28 -0.10 0.00 -0.45 0.00 0.00 34.95 32.95 1uuw s ARG 572 CO 0.23 0.09 1.35 0.00 -0.68 0.00 0.00 175.30 176.29 1uuw s ALA 573 N -2.91 3.51 0.33 2.13 0.00 -1.26 -4.89 121.76 118.67 1uuw s ALA 573 Ca 0.29 1.35 0.07 0.00 0.00 0.00 0.00 51.96 53.67 1uuw s ALA 573 Cb 0.03 -3.51 0.76 0.00 0.00 0.00 0.00 23.12 20.39 1uuw s ALA 573 CO 0.12 -0.76 1.83 0.00 0.00 0.00 0.00 175.76 176.95 1uuw h ALA 574 N 3.26 1.75 -0.35 0.00 0.00 -2.04 -1.03 119.26 120.85 1uuw h ALA 574 Ca -0.49 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1uuw h ALA 574 Cb 1.23 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1uuw h ALA 574 CO 0.65 -0.04 0.00 -1.13 0.00 0.00 0.00 179.25 178.73 1uuw n SER 575 N -4.63 1.88 -4.73 0.00 3.41 -1.26 -4.96 113.62 103.32 1uuw n SER 575 Ca 0.20 -2.00 -0.42 0.00 -0.26 0.00 0.00 58.87 56.39 1uuw n SER 575 Cb 0.50 -0.24 -0.03 0.00 -0.26 0.00 0.00 64.21 64.19 1uuw n SER 575 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1uuw s GLU 576 N -1.54 4.30 0.00 4.33 2.56 -0.39 -4.87 118.70 123.09 1uuw s GLU 576 Ca 0.23 2.21 0.00 0.00 0.00 0.00 0.00 54.97 57.42 1uuw s GLU 576 Cb 0.12 -3.16 0.00 0.00 2.00 0.00 0.00 34.13 33.09 1uuw s GLU 576 CO 0.16 -0.41 0.00 2.89 -0.56 0.00 0.00 175.26 177.34 1uuw n ARG 577 N 2.90 1.15 -0.12 4.30 0.00 -1.26 -4.95 116.66 118.68 1uuw n ARG 577 Ca 0.08 0.00 -0.19 0.00 -0.00 0.00 0.00 57.85 57.74 1uuw n ARG 577 Cb 0.41 -0.10 -0.10 0.00 -0.00 0.00 0.00 32.46 32.67 1uuw n ARG 577 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1uuw n ARG 578 N 0.00 0.58 -2.24 2.89 1.74 -1.26 -4.93 116.66 113.44 1uuw n ARG 578 Ca 0.00 0.16 -0.43 0.00 -0.77 0.00 0.00 57.85 56.81 1uuw n ARG 578 Cb 0.00 -1.45 -0.02 0.00 -1.02 0.00 0.00 32.46 29.96 1uuw n ARG 578 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1uuw s TYR 579 N -2.47 2.34 -0.02 -1.55 5.04 -1.26 -4.90 117.35 114.53 1uuw s TYR 579 Ca -0.33 0.67 0.03 0.00 -2.44 0.00 0.00 57.07 55.00 1uuw s TYR 579 Cb 0.10 -3.95 0.04 0.00 0.35 0.00 0.00 41.96 38.50 1uuw s TYR 579 CO 0.52 -2.45 1.02 1.63 -1.34 0.00 0.00 175.55 174.93 1uuw n LYS 580 N 7.50 2.77 -1.12 4.97 5.02 -1.26 -5.06 118.16 130.98 1uuw n LYS 580 Ca 0.17 -1.65 -0.30 0.00 -2.02 0.00 0.00 58.31 54.51 1uuw n LYS 580 Cb 0.46 -1.07 0.14 0.00 -0.02 0.00 0.00 35.03 34.54 1uuw n LYS 580 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1uuw s LEU 581 N -1.25 2.31 -0.33 -0.35 1.02 -1.26 -4.84 118.68 113.98 1uuw s LEU 581 Ca 0.04 1.59 -0.31 0.00 0.02 0.00 0.00 54.13 55.48 1uuw s LEU 581 Cb 0.04 -4.01 -0.13 0.00 0.02 0.00 0.00 46.19 42.10 1uuw s LEU 581 CO 0.01 -2.70 1.14 0.59 0.02 0.00 0.00 176.35 175.40 1uuw n ASN 582 N -3.94 0.75 0.16 2.29 5.03 -1.26 -4.84 115.26 113.45 1uuw n ASN 582 Ca 0.07 0.73 0.06 0.00 0.87 0.00 0.00 54.58 56.31 1uuw n ASN 582 Cb 0.55 -0.59 0.06 0.00 -1.02 0.00 0.00 39.78 38.78 1uuw n ASN 582 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 1uuw h GLU 583 N 3.89 0.00 -3.59 3.52 5.08 -1.97 -3.47 114.58 118.04 1uuw h GLU 583 Ca -0.25 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.03 1uuw h GLU 583 Cb 0.92 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.02 1uuw h GLU 583 CO 0.67 0.28 -0.29 0.00 -1.00 0.00 0.00 179.01 178.67 1uuw s ALA 584 N -3.07 -0.47 0.30 3.43 0.00 -1.26 -0.23 121.76 120.46 1uuw s ALA 584 Ca 0.04 -0.33 0.10 0.00 0.00 0.00 0.00 51.96 51.77 1uuw s ALA 584 Cb 0.07 0.46 -0.05 0.00 0.00 0.00 0.00 23.12 23.60 1uuw s ALA 584 CO 0.73 -0.49 -0.08 0.00 0.00 0.00 0.00 175.76 175.91 1uuw s MET 585 N -3.39 1.95 -0.43 0.00 0.23 -0.84 -4.96 119.30 111.85 1uuw s MET 585 Ca 0.01 -1.72 -0.16 0.00 -1.03 0.00 0.00 55.69 52.79 1uuw s MET 585 Cb 0.02 -1.89 0.03 0.00 -1.53 0.00 0.00 34.83 31.46 1uuw s MET 585 CO -0.09 0.25 0.38 -0.80 -2.03 0.00 0.00 175.02 172.73 1uuw s ASN 586 N -3.62 6.15 0.09 -1.18 0.01 -1.26 -1.46 114.94 113.66 1uuw s ASN 586 Ca 0.32 -0.87 -0.16 0.00 -0.71 0.00 0.00 52.86 51.44 1uuw s ASN 586 Cb -0.03 -2.19 -0.09 0.00 0.41 0.00 0.00 41.25 39.35 1uuw s ASN 586 CO 0.18 -0.54 1.44 0.58 -1.51 0.00 0.00 177.10 177.24 1uuw h VAL 587 N 5.69 1.30 -4.01 1.60 2.07 -0.74 -3.43 116.25 118.73 1uuw h VAL 587 Ca -0.27 -1.29 -0.39 0.00 0.82 0.00 0.00 66.70 65.57 1uuw h VAL 587 Cb 1.11 1.55 -0.25 0.00 -1.52 0.00 0.00 31.29 32.18 1uuw h VAL 587 CO 0.78 0.41 -0.77 -0.31 0.02 0.00 0.00 177.57 177.70 1uuw s TYR 588 N -4.51 0.95 -0.50 1.57 1.51 -0.59 -4.94 117.35 110.82 1uuw s TYR 588 Ca -0.13 -0.31 0.06 0.00 -1.01 0.00 0.00 57.07 55.68 1uuw s TYR 588 Cb 0.08 -0.57 0.21 0.00 -0.11 0.00 0.00 41.96 41.57 1uuw s TYR 588 CO 0.80 -0.00 0.81 -1.71 -1.11 0.00 0.00 175.55 174.34 1uuw n ASN 589 N 2.12 -3.18 -4.56 2.29 5.15 -1.16 -0.96 115.26 114.96 1uuw n ASN 589 Ca -0.17 -3.10 -0.32 0.00 -0.60 0.00 0.00 54.58 50.38 1uuw n ASN 589 Cb 0.55 1.79 -0.11 0.00 -0.53 0.00 0.00 39.78 41.48 1uuw n ASN 589 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1uuw s GLU 590 N 0.78 2.51 0.66 1.20 0.41 -0.01 -4.90 118.70 119.36 1uuw s GLU 590 Ca 0.31 -0.73 0.04 0.00 -0.41 0.00 0.00 54.97 54.18 1uuw s GLU 590 Cb 0.11 -2.46 0.11 0.00 -1.78 0.00 0.00 34.13 30.12 1uuw s GLU 590 CO -0.15 0.60 0.91 0.54 -0.49 0.00 0.00 175.26 176.67 1uuw s ASN 591 N -1.26 4.67 0.23 -0.19 2.20 -1.26 -0.78 114.94 118.54 1uuw s ASN 591 Ca 0.15 -0.64 -0.07 0.00 -0.94 0.00 0.00 52.86 51.37 1uuw s ASN 591 Cb -0.11 0.21 0.29 0.00 -2.00 0.00 0.00 41.25 39.64 1uuw s ASN 591 CO 0.06 -1.65 1.85 0.15 -2.94 0.00 0.00 177.10 174.57 1uuw h PHE 592 N -0.21 0.95 -0.49 1.54 3.04 -1.78 -1.51 116.94 118.49 1uuw h PHE 592 Ca -0.33 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 61.62 1uuw h PHE 592 Cb 1.28 -0.31 -0.02 0.00 2.56 0.00 0.00 35.95 39.46 1uuw h PHE 592 CO 0.09 0.50 0.16 0.37 -2.02 0.00 0.00 178.31 177.41 1uuw h GLN 593 N 0.96 0.75 -0.65 1.11 -0.00 -1.95 -1.02 115.11 114.31 1uuw h GLN 593 Ca 0.35 -0.15 -0.02 0.00 -0.00 0.00 0.00 58.65 58.82 1uuw h GLN 593 Cb 0.12 -0.11 -0.03 0.00 0.00 0.00 0.00 27.48 27.45 1uuw h GLN 593 CO -0.15 0.70 0.32 1.96 0.00 0.00 0.00 178.83 181.65 1uuw h GLN 594 N 0.65 0.93 -0.54 1.69 4.20 -1.83 -1.08 115.11 119.13 1uuw h GLN 594 Ca 0.16 -0.13 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 1uuw h GLN 594 Cb 0.25 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 27.83 1uuw h GLN 594 CO -0.01 0.74 0.32 -0.07 -0.67 0.00 0.00 178.83 179.15 1uuw h LEU 595 N 0.90 0.64 -0.39 1.46 3.38 -1.03 -1.86 115.31 118.41 1uuw h LEU 595 Ca 0.22 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.09 1uuw h LEU 595 Cb 0.11 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1uuw h LEU 595 CO -0.03 0.50 -0.03 0.50 0.09 0.00 0.00 178.44 179.47 1uuw h LYS 596 N 0.75 0.71 -0.24 1.13 1.63 -0.27 -0.68 116.57 119.60 1uuw h LYS 596 Ca 0.20 -0.24 0.04 0.00 -0.85 0.00 0.00 60.65 59.79 1uuw h LYS 596 Cb -0.02 -0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 31.51 1uuw h LYS 596 CO -0.04 0.82 0.02 0.28 -3.45 0.00 0.00 179.45 177.08 1uuw h VAL 597 N 0.53 0.85 -0.91 2.00 2.07 -0.76 0.12 116.25 120.15 1uuw h VAL 597 Ca 0.11 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.60 1uuw h VAL 597 Cb 0.51 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 1uuw h VAL 597 CO 0.03 0.02 0.59 0.03 0.02 0.00 0.00 177.57 178.25 1uuw h ARG 598 N 0.10 1.22 -0.34 1.57 3.08 -1.06 0.96 114.38 119.90 1uuw h ARG 598 Ca 0.11 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 1uuw h ARG 598 Cb 0.13 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 1uuw h ARG 598 CO -0.17 0.82 0.10 0.28 -1.07 0.00 0.00 179.97 179.92 1uuw h VAL 599 N 1.25 1.21 -0.54 2.04 2.07 -0.39 -0.33 116.25 121.57 1uuw h VAL 599 Ca 0.33 -0.71 0.02 0.00 0.82 0.00 0.00 66.70 67.16 1uuw h VAL 599 Cb -0.12 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 1uuw h VAL 599 CO -0.07 0.24 0.34 -0.33 0.02 0.00 0.00 177.57 177.77 1uuw h GLU 600 N 0.39 0.65 -0.94 1.57 4.39 -0.21 -0.76 114.58 119.69 1uuw h GLU 600 Ca 0.11 -0.04 0.08 0.00 0.34 0.00 0.00 59.36 59.85 1uuw h GLU 600 Cb 0.27 -0.15 -0.07 0.00 -0.10 0.00 0.00 28.75 28.71 1uuw h GLU 600 CO -0.00 0.43 0.59 1.25 -1.16 0.00 0.00 179.01 180.12 1uuw h HIS 601 N 0.67 1.08 -0.43 4.33 2.76 -0.43 -0.65 115.15 122.49 1uuw h HIS 601 Ca 0.21 0.03 -0.07 0.00 -2.20 0.00 0.00 60.37 58.33 1uuw h HIS 601 Cb -0.02 -0.35 -0.02 0.00 1.55 0.00 0.00 27.41 28.57 1uuw h HIS 601 CO -0.05 0.52 -0.04 1.96 -1.30 0.00 0.00 177.93 179.02 1uuw h GLN 602 N 1.03 0.72 0.00 5.26 1.08 -0.01 -3.24 115.11 119.94 1uuw h GLN 602 Ca 0.42 -0.20 -0.07 0.00 -1.45 0.00 0.00 58.65 57.35 1uuw h GLN 602 Cb 0.25 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.59 1uuw h GLN 602 CO -0.20 0.76 -0.65 -0.07 -0.95 0.00 0.00 178.83 177.72 1uuw h LEU 603 N 0.67 0.00 -9.35 1.46 -0.00 -0.11 -3.47 115.31 104.51 1uuw h LEU 603 Ca 0.13 0.00 -0.64 0.00 -0.00 0.00 0.00 57.88 57.37 1uuw h LEU 603 Cb 0.47 0.00 0.04 0.00 -0.00 0.00 0.00 40.66 41.17 1uuw h LEU 603 CO 0.02 0.29 0.79 -0.67 -0.00 0.00 0.00 178.44 178.88 1uuw n ASP 604 N -3.02 2.70 0.33 -0.43 4.64 -0.36 -4.86 116.55 115.55 1uuw n ASP 604 Ca -0.00 1.07 0.20 0.00 -1.38 0.00 0.00 54.79 54.68 1uuw n ASP 604 Cb 0.67 -1.31 1.07 0.00 -1.04 0.00 0.00 41.12 40.51 1uuw n ASP 604 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 1uuw h PRO 605 N 6.46 0.00 -0.65 -0.67 0.13 -1.91 -1.88 132.00 133.48 1uuw h PRO 605 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1uuw h PRO 605 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1uuw h PRO 605 CO 0.88 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.69 1uuw n GLN 606 N -3.08 3.35 -2.43 0.86 6.02 -1.26 -4.73 117.38 116.11 1uuw n GLN 606 Ca -0.02 -2.53 -0.39 0.00 -0.01 0.00 0.00 57.00 54.04 1uuw n GLN 606 Cb 0.18 -1.80 -0.03 0.00 1.02 0.00 0.00 30.24 29.61 1uuw n GLN 606 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1uuw s ASN 607 N -0.86 6.02 0.41 1.08 3.84 -0.71 -4.83 114.94 119.89 1uuw s ASN 607 Ca 0.46 -0.61 0.17 0.00 0.21 0.00 0.00 52.86 53.08 1uuw s ASN 607 Cb 0.29 -2.56 0.88 0.00 -0.55 0.00 0.00 41.25 39.31 1uuw s ASN 607 CO 0.23 -1.92 1.87 -0.50 -2.79 0.00 0.00 177.10 174.00 1uuw h TRP 608 N 10.86 0.00 0.00 0.43 4.06 -1.89 -2.79 115.95 126.63 1uuw h TRP 608 Ca -0.12 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.83 1uuw h TRP 608 Cb 1.05 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.21 1uuw h TRP 608 CO 1.16 0.31 0.00 0.78 -3.56 0.00 0.00 178.44 177.13 1uuw h GLY 609 N 1.18 0.00 -1.30 1.49 0.00 -1.97 -2.64 103.07 99.84 1uuw h GLY 609 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1uuw h GLY 609 CO 0.04 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.28 1uuw n ASN 610 N -2.73 1.89 -3.86 0.19 4.13 -1.05 -4.77 115.26 109.06 1uuw n ASN 610 Ca 0.00 -2.03 -0.26 0.00 1.68 0.00 0.00 54.58 53.97 1uuw n ASN 610 Cb 0.20 -0.25 -0.17 0.00 -1.54 0.00 0.00 39.78 38.02 1uuw n ASN 610 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1uuw s SER 611 N -0.96 2.29 0.86 6.41 0.15 -1.00 -3.07 113.70 118.39 1uuw s SER 611 Ca 0.23 -0.39 -0.12 0.00 0.70 0.00 0.00 55.95 56.37 1uuw s SER 611 Cb 0.12 -0.76 0.11 0.00 -1.71 0.00 0.00 66.02 63.78 1uuw s SER 611 CO 0.15 -0.17 1.10 -2.16 1.20 0.00 0.00 173.24 173.36 1uuw s PRO 612 N 1.75 1.54 0.28 5.44 0.04 -1.26 -5.01 135.00 137.78 1uuw s PRO 612 Ca 0.03 0.73 -0.30 0.00 0.04 0.00 0.00 61.00 61.50 1uuw s PRO 612 Cb -0.14 -1.85 -0.12 0.00 0.04 0.00 0.00 34.50 32.43 1uuw s PRO 612 CO -0.07 -2.02 1.51 1.17 0.04 0.00 0.00 177.00 177.63 1uuw n LYS 613 N -3.72 2.46 -1.44 4.56 4.81 -1.17 -4.86 118.16 118.79 1uuw n LYS 613 Ca 0.07 0.87 -0.31 0.00 -0.87 0.00 0.00 58.31 58.07 1uuw n LYS 613 Cb 0.56 -2.60 0.07 0.00 0.02 0.00 0.00 35.03 33.08 1uuw n LYS 613 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1uuw s LEU 614 N -0.41 3.13 -0.19 3.14 1.02 -1.26 -4.89 118.68 119.22 1uuw s LEU 614 Ca 0.64 1.82 0.01 0.00 0.02 0.00 0.00 54.13 56.62 1uuw s LEU 614 Cb -0.55 -4.52 0.03 0.00 0.02 0.00 0.00 46.19 41.18 1uuw s LEU 614 CO 0.51 -1.81 -0.13 -0.13 0.02 0.00 0.00 176.35 174.80 1uuw s ARG 615 N -4.75 2.32 0.04 1.70 1.81 -0.72 -5.01 118.95 114.34 1uuw s ARG 615 Ca 0.62 -0.81 0.04 0.00 -1.72 0.00 0.00 55.73 53.86 1uuw s ARG 615 Cb -0.17 -2.40 -0.04 0.00 -0.45 0.00 0.00 34.95 31.89 1uuw s ARG 615 CO 0.52 -0.34 -0.07 -0.06 -0.68 0.00 0.00 175.30 174.67 1uuw s PHE 616 N 1.37 2.85 -0.10 -0.53 0.40 -1.26 -1.11 117.98 119.60 1uuw s PHE 616 Ca 0.01 -0.08 -0.04 0.00 -0.60 0.00 0.00 56.93 56.22 1uuw s PHE 616 Cb -0.15 -1.55 0.05 0.00 0.51 0.00 0.00 43.02 41.88 1uuw s PHE 616 CO -0.10 0.39 0.21 0.99 0.70 0.00 0.00 175.22 177.41 1uuw s THR 617 N -1.08 -0.23 -0.01 0.64 2.01 -0.43 -4.80 115.64 111.74 1uuw s THR 617 Ca 0.19 0.26 0.08 0.00 0.31 0.00 0.00 61.69 62.53 1uuw s THR 617 Cb -0.11 -0.35 -0.02 0.00 0.01 0.00 0.00 72.50 72.03 1uuw s THR 617 CO 0.10 0.11 -0.25 -0.13 -0.69 0.00 0.00 174.62 173.76 1uuw s ARG 618 N 1.95 1.95 -0.19 4.92 0.52 -1.26 -1.00 118.95 125.83 1uuw s ARG 618 Ca -0.02 -0.91 0.01 0.00 -0.52 0.00 0.00 55.73 54.29 1uuw s ARG 618 Cb -0.12 -1.92 0.04 0.00 0.52 0.00 0.00 34.95 33.47 1uuw s ARG 618 CO -0.07 0.52 -0.13 -0.06 0.02 0.00 0.00 175.30 175.58 1uuw s PHE 619 N -0.61 2.52 -0.20 -0.53 0.08 -0.18 -5.00 117.98 114.06 1uuw s PHE 619 Ca 0.10 -1.60 -0.06 0.00 0.12 0.00 0.00 56.93 55.49 1uuw s PHE 619 Cb -0.09 -1.71 -0.03 0.00 -0.57 0.00 0.00 43.02 40.62 1uuw s PHE 619 CO -0.00 -0.75 0.01 0.42 -0.10 0.00 0.00 175.22 174.80 1uuw s ILE 620 N 1.37 4.12 0.28 0.64 -1.09 -1.26 -1.32 121.20 123.94 1uuw s ILE 620 Ca 0.00 -0.26 0.04 0.00 -2.23 0.00 0.00 60.65 58.21 1uuw s ILE 620 Cb -0.15 -2.86 -0.03 0.00 -1.58 0.00 0.00 42.46 37.83 1uuw s ILE 620 CO -0.09 0.43 0.22 0.42 -1.23 0.00 0.00 174.94 174.69 1uuw s THR 621 N 0.89 0.01 -1.43 2.92 -4.23 -0.61 -4.93 115.64 108.25 1uuw s THR 621 Ca 0.02 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.42 1uuw s THR 621 Cb -0.14 -2.50 0.05 0.00 1.34 0.00 0.00 72.50 71.24 1uuw s THR 621 CO 0.02 0.00 1.06 0.59 -0.54 0.00 0.00 174.62 175.75 1uuw n ASN 622 N -1.06 -5.16 -4.70 3.99 4.13 -1.26 -1.33 115.26 109.87 1uuw n ASN 622 Ca 0.05 -0.67 -0.42 0.00 1.68 0.00 0.00 54.58 55.22 1uuw n ASN 622 Cb 0.64 -4.43 -0.03 0.00 -1.54 0.00 0.00 39.78 34.41 1uuw n ASN 622 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1uuw s VAL 623 N -3.33 3.59 0.02 2.41 1.01 -1.26 -4.33 120.40 118.51 1uuw s VAL 623 Ca 0.57 1.07 0.05 0.00 0.00 0.00 0.00 61.98 63.67 1uuw s VAL 623 Cb -0.27 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.41 1uuw s VAL 623 CO 0.78 0.04 -0.15 -1.10 0.00 0.00 0.00 175.10 174.67 1uuw s GLN 624 N 1.79 1.12 0.01 2.72 -0.21 0.39 -4.99 119.66 120.48 1uuw s GLN 624 Ca 0.64 -0.69 0.02 0.00 0.02 0.00 0.00 55.36 55.34 1uuw s GLN 624 Cb -0.33 -1.12 -0.01 0.00 1.00 0.00 0.00 33.01 32.55 1uuw s GLN 624 CO 0.28 0.29 -0.06 0.00 -2.12 0.00 0.00 175.29 173.68 1uuw s ALA 625 N -0.63 0.50 -0.22 6.09 0.00 -1.26 -0.66 121.76 125.57 1uuw s ALA 625 Ca 0.04 -0.36 -0.16 0.00 0.00 0.00 0.00 51.96 51.48 1uuw s ALA 625 Cb -0.07 -0.09 0.06 0.00 0.00 0.00 0.00 23.12 23.02 1uuw s ALA 625 CO 0.01 0.09 0.55 0.00 0.00 0.00 0.00 175.76 176.41 1uuw s ALA 626 N -0.40 -1.41 0.52 0.00 0.00 -0.53 -4.82 121.76 115.12 1uuw s ALA 626 Ca -0.00 1.75 -0.21 0.00 0.00 0.00 0.00 51.96 53.50 1uuw s ALA 626 Cb -0.04 -1.03 -0.06 0.00 0.00 0.00 0.00 23.12 21.99 1uuw s ALA 626 CO -0.00 -0.29 1.17 -1.64 0.00 0.00 0.00 175.76 175.00 1uuw s MET 627 N 0.84 3.42 0.41 0.00 -1.94 -1.26 -0.58 119.30 120.19 1uuw s MET 627 Ca -0.04 1.76 -0.24 0.00 -1.71 0.00 0.00 55.69 55.45 1uuw s MET 627 Cb -0.05 -2.16 -0.08 0.00 2.01 0.00 0.00 34.83 34.55 1uuw s MET 627 CO -0.07 -0.83 1.10 0.34 -0.01 0.00 0.00 175.02 175.55 1uuw s ASP 628 N -1.52 6.59 0.20 3.03 2.15 0.82 -4.81 116.67 123.12 1uuw s ASP 628 Ca 0.70 2.15 -0.09 0.00 0.43 0.00 0.00 52.55 55.74 1uuw s ASP 628 Cb -0.28 -2.59 0.12 0.00 -0.30 0.00 0.00 42.92 39.87 1uuw s ASP 628 CO 0.32 -0.62 1.74 0.58 -0.17 0.00 0.00 175.17 177.03 1uuw h VAL 629 N 2.15 1.25 0.00 1.11 2.07 -1.95 -3.38 116.25 117.51 1uuw h VAL 629 Ca -0.49 -0.84 -0.23 0.00 0.82 0.00 0.00 66.70 65.96 1uuw h VAL 629 Cb 1.23 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 1uuw h VAL 629 CO 0.62 0.33 -1.57 0.59 0.02 0.00 0.00 177.57 177.56 1uuw n ASN 630 N -4.32 1.91 -4.49 0.57 3.02 -1.26 -4.77 115.26 105.91 1uuw n ASN 630 Ca 0.06 0.41 -0.43 0.00 -0.03 0.00 0.00 54.58 54.59 1uuw n ASN 630 Cb 0.20 -0.85 -0.04 0.00 -0.61 0.00 0.00 39.78 38.49 1uuw n ASN 630 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1uuw s ASP 631 N -6.72 6.20 0.07 6.41 -1.08 -1.26 -4.86 116.67 115.43 1uuw s ASP 631 Ca -0.30 -0.75 0.14 0.00 -0.52 0.00 0.00 52.55 51.12 1uuw s ASP 631 Cb 0.08 -2.46 0.60 0.00 -1.46 0.00 0.00 42.92 39.69 1uuw s ASP 631 CO 0.46 -1.50 1.43 2.29 0.52 0.00 0.00 175.17 178.37 1uuw n LYS 632 N 8.08 0.05 -0.11 4.34 2.85 -1.26 -0.87 118.16 131.24 1uuw n LYS 632 Ca -0.01 0.36 0.11 0.00 -1.05 0.00 0.00 58.31 57.73 1uuw n LYS 632 Cb 0.47 -1.61 0.29 0.00 -0.65 0.00 0.00 35.03 33.53 1uuw n LYS 632 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 1uuw n GLU 633 N -1.70 2.12 -3.77 -1.58 0.00 -1.26 -4.89 120.64 109.56 1uuw n GLU 633 Ca 0.02 -1.67 -0.37 0.00 0.00 0.00 0.00 57.16 55.14 1uuw n GLU 633 Cb 0.14 -1.46 -0.13 0.00 0.00 0.00 0.00 31.44 29.99 1uuw n GLU 633 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 1uuw s LEU 634 N -1.62 3.56 -0.23 4.31 0.20 -0.05 -3.78 118.68 121.06 1uuw s LEU 634 Ca 0.35 -0.42 -0.09 0.00 0.69 0.00 0.00 54.13 54.66 1uuw s LEU 634 Cb 0.20 -1.89 -0.04 0.00 -0.43 0.00 0.00 46.19 44.03 1uuw s LEU 634 CO 0.29 -0.10 0.10 -0.22 -0.29 0.00 0.00 176.35 176.14 1uuw s LEU 635 N 1.56 3.76 -0.08 -0.68 2.96 0.77 -0.13 118.68 126.85 1uuw s LEU 635 Ca 0.05 -0.04 -0.23 0.00 -0.22 0.00 0.00 54.13 53.70 1uuw s LEU 635 Cb -0.16 -2.00 -0.04 0.00 0.50 0.00 0.00 46.19 44.50 1uuw s LEU 635 CO 0.03 0.04 0.68 -1.00 -1.32 0.00 0.00 176.35 174.77 1uuw s HIS 636 N 1.19 3.55 -0.07 5.38 3.76 0.25 -0.09 115.29 129.26 1uuw s HIS 636 Ca 0.06 1.19 0.01 0.00 -0.15 0.00 0.00 55.06 56.17 1uuw s HIS 636 Cb -0.14 -2.79 0.02 0.00 1.11 0.00 0.00 32.58 30.78 1uuw s HIS 636 CO 0.04 0.07 -0.06 0.42 -0.85 0.00 0.00 174.74 174.36 1uuw s ILE 637 N 0.90 0.75 -0.09 0.60 1.01 -0.58 -1.46 121.20 122.33 1uuw s ILE 637 Ca 0.36 -0.20 0.01 0.00 0.00 0.00 0.00 60.65 60.82 1uuw s ILE 637 Cb -0.17 -0.77 -0.03 0.00 0.01 0.00 0.00 42.46 41.50 1uuw s ILE 637 CO 0.17 0.29 -0.09 -0.60 0.00 0.00 0.00 174.94 174.71 1uuw s ARG 638 N 1.21 2.92 0.13 2.79 3.52 0.16 -0.67 118.95 129.01 1uuw s ARG 638 Ca -0.06 -0.59 -0.21 0.00 -0.13 0.00 0.00 55.73 54.74 1uuw s ARG 638 Cb -0.14 -2.60 0.06 0.00 -1.56 0.00 0.00 34.95 30.71 1uuw s ARG 638 CO -0.02 0.53 0.52 -1.54 -0.81 0.00 0.00 175.30 173.99 1uuw s SER 639 N -0.46 -0.44 0.05 -2.12 1.04 -0.95 -0.46 113.70 110.35 1uuw s SER 639 Ca 0.06 -0.07 0.05 0.00 0.48 0.00 0.00 55.95 56.48 1uuw s SER 639 Cb -0.12 0.54 -0.04 0.00 0.10 0.00 0.00 66.02 66.51 1uuw s SER 639 CO 0.02 -0.89 -0.07 0.20 0.98 0.00 0.00 173.24 173.48 1uuw s ASN 640 N -2.63 4.57 -0.01 7.02 0.01 -0.44 0.58 114.94 124.04 1uuw s ASN 640 Ca 0.01 -0.24 0.04 0.00 -0.71 0.00 0.00 52.86 51.96 1uuw s ASN 640 Cb 0.00 -1.00 -0.01 0.00 0.41 0.00 0.00 41.25 40.65 1uuw s ASN 640 CO -0.11 0.23 -0.13 0.54 -1.51 0.00 0.00 177.10 176.13 1uuw s VAL 641 N -1.11 1.00 -0.18 1.60 0.11 0.52 -1.58 120.40 120.77 1uuw s VAL 641 Ca 0.20 -0.54 -0.01 0.00 -2.93 0.00 0.00 61.98 58.70 1uuw s VAL 641 Cb -0.11 -0.84 -0.00 0.00 -1.53 0.00 0.00 36.38 33.89 1uuw s VAL 641 CO 0.11 0.29 -0.12 -0.63 -3.33 0.00 0.00 175.10 171.41 1uuw s ILE 642 N -0.24 2.83 -0.14 7.04 1.01 -0.43 -1.43 121.20 129.83 1uuw s ILE 642 Ca 0.04 -0.70 0.02 0.00 0.00 0.00 0.00 60.65 60.01 1uuw s ILE 642 Cb -0.05 -2.23 0.01 0.00 0.01 0.00 0.00 42.46 40.20 1uuw s ILE 642 CO -0.00 0.49 -0.20 -0.22 0.00 0.00 0.00 174.94 175.01 1uuw s LEU 643 N 1.04 2.01 -0.19 2.97 0.20 0.27 -1.01 118.68 123.96 1uuw s LEU 643 Ca -0.01 -0.57 -0.02 0.00 0.69 0.00 0.00 54.13 54.22 1uuw s LEU 643 Cb -0.15 -1.37 -0.01 0.00 -0.43 0.00 0.00 46.19 44.24 1uuw s LEU 643 CO -0.03 0.04 -0.09 -2.28 -0.29 0.00 0.00 176.35 173.71 1uuw s HIS 644 N 1.01 2.90 -0.14 5.38 5.65 -0.17 -0.47 115.29 129.44 1uuw s HIS 644 Ca -0.03 -0.95 0.02 0.00 0.25 0.00 0.00 55.06 54.36 1uuw s HIS 644 Cb -0.15 -2.01 0.01 0.00 -1.18 0.00 0.00 32.58 29.25 1uuw s HIS 644 CO -0.05 -0.49 -0.22 0.50 -0.65 0.00 0.00 174.74 173.84 1uuw s ARG 645 N 1.14 2.98 -0.06 2.88 3.52 -0.12 -1.32 118.95 127.97 1uuw s ARG 645 Ca 0.01 -0.84 0.05 0.00 -0.13 0.00 0.00 55.73 54.82 1uuw s ARG 645 Cb -0.14 -2.41 -0.00 0.00 -1.56 0.00 0.00 34.95 30.83 1uuw s ARG 645 CO -0.02 -0.02 -0.20 0.00 -0.81 0.00 0.00 175.30 174.24 1uuw s ALA 646 N 0.84 1.82 0.03 6.12 0.00 -0.27 -1.50 121.76 128.81 1uuw s ALA 646 Ca -0.07 -0.83 -0.22 0.00 0.00 0.00 0.00 51.96 50.84 1uuw s ALA 646 Cb -0.15 -0.61 0.05 0.00 0.00 0.00 0.00 23.12 22.40 1uuw s ALA 646 CO -0.02 0.31 0.50 -0.98 0.00 0.00 0.00 175.76 175.57 1uuw s ARG 647 N 0.06 0.98 -1.42 0.00 1.70 -0.50 -1.75 118.95 118.02 1uuw s ARG 647 Ca -0.07 -0.19 -0.09 0.00 -0.47 0.00 0.00 55.73 54.91 1uuw s ARG 647 Cb -0.14 0.45 0.04 0.00 -0.57 0.00 0.00 34.95 34.73 1uuw s ARG 647 CO 0.04 -0.34 1.01 0.54 -1.08 0.00 0.00 175.30 175.47 1uuw n ARG 648 N 0.58 -6.33 0.00 3.89 1.74 -1.26 -1.40 116.66 113.88 1uuw n ARG 648 Ca -0.19 0.70 0.00 0.00 -0.77 0.00 0.00 57.85 57.59 1uuw n ARG 648 Cb 0.59 -5.61 0.00 0.00 -1.02 0.00 0.00 32.46 26.43 1uuw n ARG 648 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1uuw n GLY 649 N -1.74 1.99 0.22 -0.13 0.00 -1.26 -4.29 105.19 99.99 1uuw n GLY 649 Ca -0.04 -0.25 0.02 0.00 0.00 0.00 0.00 46.02 45.74 1uuw n GLY 649 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1uuw n ASN 650 N 3.69 0.69 -4.68 1.61 0.23 -1.24 -5.02 115.26 110.55 1uuw n ASN 650 Ca 0.00 -1.93 -0.39 0.00 -0.53 0.00 0.00 54.58 51.73 1uuw n ASN 650 Cb 0.00 -0.16 -0.06 0.00 -2.08 0.00 0.00 39.78 37.48 1uuw n ASN 650 CO 0.00 0.00 0.00 -1.58 -0.93 0.00 0.00 177.26 174.75 1uuw s GLN 651 N -0.66 4.26 -0.04 -3.83 0.74 -0.49 -5.01 119.66 114.63 1uuw s GLN 651 Ca 0.06 0.51 -0.02 0.00 0.05 0.00 0.00 55.36 55.96 1uuw s GLN 651 Cb 0.05 -3.52 0.03 0.00 1.10 0.00 0.00 33.01 30.67 1uuw s GLN 651 CO 0.01 -0.06 0.05 0.08 -0.55 0.00 0.00 175.29 174.81 1uuw s VAL 652 N 1.33 -0.03 -0.06 1.34 1.01 -1.26 -1.41 120.40 121.31 1uuw s VAL 652 Ca 0.27 0.37 0.04 0.00 0.00 0.00 0.00 61.98 62.66 1uuw s VAL 652 Cb -0.16 -0.21 0.00 0.00 0.00 0.00 0.00 36.38 36.02 1uuw s VAL 652 CO 0.11 0.19 -0.18 -1.81 0.00 0.00 0.00 175.10 173.40 1uuw s ASP 653 N 2.09 2.37 -0.10 3.32 1.01 -0.56 -5.02 116.67 119.78 1uuw s ASP 653 Ca 0.04 -0.40 0.04 0.00 0.71 0.00 0.00 52.55 52.94 1uuw s ASP 653 Cb -0.12 -0.88 0.00 0.00 1.01 0.00 0.00 42.92 42.94 1uuw s ASP 653 CO -0.03 0.13 -0.22 -0.69 0.21 0.00 0.00 175.17 174.57 1uuw s VAL 654 N 0.26 1.96 0.03 -1.27 1.01 -1.26 -0.94 120.40 120.19 1uuw s VAL 654 Ca -0.10 -0.95 0.06 0.00 0.00 0.00 0.00 61.98 60.98 1uuw s VAL 654 Cb -0.14 -1.71 -0.03 0.00 0.00 0.00 0.00 36.38 34.49 1uuw s VAL 654 CO 0.04 0.54 -0.13 -0.36 0.00 0.00 0.00 175.10 175.19 1uuw s PHE 655 N 0.48 2.69 -0.03 5.22 0.40 0.38 -4.95 117.98 122.16 1uuw s PHE 655 Ca -0.16 -0.17 0.02 0.00 -0.60 0.00 0.00 56.93 56.02 1uuw s PHE 655 Cb -0.17 -1.51 0.01 0.00 0.51 0.00 0.00 43.02 41.85 1uuw s PHE 655 CO 0.06 0.30 -0.08 0.71 0.70 0.00 0.00 175.22 176.92 1uuw s TYR 656 N -0.97 0.90 0.00 0.36 1.51 -1.26 -0.57 117.35 117.33 1uuw s TYR 656 Ca 0.16 -0.24 -0.28 0.00 -1.01 0.00 0.00 57.07 55.69 1uuw s TYR 656 Cb -0.11 -0.68 0.10 0.00 -0.11 0.00 0.00 41.96 41.16 1uuw s TYR 656 CO 0.07 -0.13 0.87 0.00 -1.11 0.00 0.00 175.55 175.24 1uuw s ALA 657 N 0.42 -1.81 -0.13 3.71 0.00 -0.52 -4.52 121.76 118.91 1uuw s ALA 657 Ca -0.06 0.99 -0.06 0.00 0.00 0.00 0.00 51.96 52.82 1uuw s ALA 657 Cb -0.11 0.42 -0.04 0.00 0.00 0.00 0.00 23.12 23.40 1uuw s ALA 657 CO 0.01 -0.68 0.11 0.00 0.00 0.00 0.00 175.76 175.19 1uuw s ALA 658 N -3.11 3.71 -0.16 0.00 0.00 -1.26 -0.36 121.76 120.57 1uuw s ALA 658 Ca 0.04 -0.69 -0.01 0.00 0.00 0.00 0.00 51.96 51.31 1uuw s ALA 658 Cb -0.01 -1.90 -0.01 0.00 0.00 0.00 0.00 23.12 21.20 1uuw s ALA 658 CO -0.09 0.52 -0.12 1.03 0.00 0.00 0.00 175.76 177.10 1uuw s ARG 659 N -0.71 3.29 -0.42 0.00 0.52 0.20 -4.43 118.95 117.40 1uuw s ARG 659 Ca 0.13 -0.70 -0.12 0.00 -0.52 0.00 0.00 55.73 54.51 1uuw s ARG 659 Cb -0.12 -2.72 0.05 0.00 0.52 0.00 0.00 34.95 32.69 1uuw s ARG 659 CO 0.03 0.01 0.28 -1.21 0.02 0.00 0.00 175.30 174.43 1uuw s GLU 660 N 0.87 2.82 0.24 3.54 2.02 -0.26 -2.24 118.70 125.68 1uuw s GLU 660 Ca -0.03 -1.25 0.08 0.00 0.02 0.00 0.00 54.97 53.79 1uuw s GLU 660 Cb -0.15 -3.89 -0.04 0.00 0.10 0.00 0.00 34.13 30.15 1uuw s GLU 660 CO -0.00 -0.87 0.06 -0.51 0.02 0.00 0.00 175.26 173.96 1uuw s ASP 661 N 2.00 4.91 -0.08 -0.19 1.01 0.15 -0.81 116.67 123.66 1uuw s ASP 661 Ca 0.03 -0.46 0.01 0.00 0.71 0.00 0.00 52.55 52.84 1uuw s ASP 661 Cb -0.22 -1.06 0.02 0.00 1.01 0.00 0.00 42.92 42.67 1uuw s ASP 661 CO 0.06 0.01 -0.10 -0.54 0.21 0.00 0.00 175.17 174.82 1uuw s LYS 662 N -3.54 1.51 0.01 8.23 1.02 0.45 -1.53 119.74 125.90 1uuw s LYS 662 Ca 0.31 -0.31 0.07 0.00 0.02 0.00 0.00 55.97 56.06 1uuw s LYS 662 Cb -0.08 -1.39 -0.02 0.00 -0.52 0.00 0.00 37.83 35.83 1uuw s LYS 662 CO 0.21 -0.09 -0.21 -1.58 -0.92 0.00 0.00 175.35 172.76 1uuw s TRP 663 N 1.06 1.85 0.01 3.18 0.52 0.86 -0.45 118.94 125.98 1uuw s TRP 663 Ca -0.07 -0.36 0.02 0.00 0.02 0.00 0.00 56.10 55.70 1uuw s TRP 663 Cb -0.14 -1.15 -0.01 0.00 -1.15 0.00 0.00 33.47 31.02 1uuw s TRP 663 CO -0.01 0.03 -0.06 0.21 0.02 0.00 0.00 176.95 177.14 1uuw s LYS 664 N -0.81 0.45 -0.07 4.98 2.36 0.08 -0.16 119.74 126.57 1uuw s LYS 664 Ca 0.08 -0.31 -0.30 0.00 -2.55 0.00 0.00 55.97 52.89 1uuw s LYS 664 Cb -0.08 -0.39 -0.03 0.00 -1.05 0.00 0.00 37.83 36.27 1uuw s LYS 664 CO 0.00 0.10 1.28 1.03 1.55 0.00 0.00 175.35 179.31 1uuw s ARG 665 N -0.43 4.30 0.00 4.03 0.52 -1.25 -0.45 118.95 125.67 1uuw s ARG 665 Ca -0.00 1.76 0.00 0.00 -0.52 0.00 0.00 55.73 56.96 1uuw s ARG 665 Cb -0.04 -3.63 0.00 0.00 0.52 0.00 0.00 34.95 31.81 1uuw s ARG 665 CO -0.00 -0.55 0.00 0.41 0.02 0.00 0.00 175.30 175.18 1uuw n GLY 666 N 3.52 0.52 3.43 -3.53 0.00 -0.99 -4.95 105.19 103.18 1uuw n GLY 666 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 1uuw n GLY 666 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uuw s GLU 667 N 1.67 2.50 0.00 1.61 0.41 -1.26 -3.99 118.70 119.64 1uuw s GLU 667 Ca 0.00 -0.75 0.00 0.00 -0.41 0.00 0.00 54.97 53.81 1uuw s GLU 667 Cb 0.00 -2.32 0.00 0.00 -1.78 0.00 0.00 34.13 30.03 1uuw s GLU 667 CO 0.00 0.57 0.00 0.41 -0.49 0.00 0.00 175.26 175.75 1uuw n GLY 668 N 2.46 0.46 3.09 -1.39 0.00 -1.26 -4.03 105.19 104.52 1uuw n GLY 668 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1uuw n GLY 668 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uuw n GLY 669 N -1.65 2.06 3.69 -0.02 0.00 -1.26 -4.97 105.19 103.04 1uuw n GLY 669 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1uuw n GLY 669 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uuw s VAL 670 N -3.26 3.14 -0.05 1.61 1.01 -1.26 -4.68 120.40 116.91 1uuw s VAL 670 Ca 0.00 0.55 -0.30 0.00 0.00 0.00 0.00 61.98 62.23 1uuw s VAL 670 Cb 0.00 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 1uuw s VAL 670 CO 0.00 -0.01 1.29 -0.60 0.00 0.00 0.00 175.10 175.78 1uuw s ARG 671 N 2.77 4.31 0.19 2.72 6.06 -1.26 -2.35 118.95 131.38 1uuw s ARG 671 Ca 0.73 1.79 0.07 0.00 -2.50 0.00 0.00 55.73 55.82 1uuw s ARG 671 Cb -0.39 -3.60 -0.05 0.00 0.06 0.00 0.00 34.95 30.98 1uuw s ARG 671 CO 0.32 -0.53 -0.14 0.15 -2.50 0.00 0.00 175.30 172.59 1uuw s LYS 672 N 2.47 1.28 -0.05 5.12 1.02 0.41 -4.85 119.74 125.14 1uuw s LYS 672 Ca 0.59 -1.54 -0.30 0.00 0.02 0.00 0.00 55.97 54.74 1uuw s LYS 672 Cb -0.27 -1.07 -0.03 0.00 -0.52 0.00 0.00 37.83 35.93 1uuw s LYS 672 CO 0.23 0.18 1.21 -1.17 -0.92 0.00 0.00 175.35 174.88 1uuw s LEU 673 N -3.19 4.28 -0.01 3.17 2.96 0.16 -0.74 118.68 125.32 1uuw s LEU 673 Ca 0.20 1.84 0.05 0.00 -0.22 0.00 0.00 54.13 56.01 1uuw s LEU 673 Cb -0.01 -3.56 -0.08 0.00 0.50 0.00 0.00 46.19 43.04 1uuw s LEU 673 CO 0.06 -0.59 0.12 0.52 -1.32 0.00 0.00 176.35 175.14 1uuw n VAL 674 N 4.59 0.00 -3.64 1.68 0.31 0.41 0.29 118.33 121.96 1uuw n VAL 674 Ca 0.11 -0.14 -0.07 0.00 -0.01 0.00 0.00 64.34 64.23 1uuw n VAL 674 Cb 0.46 0.43 -0.07 0.00 -0.91 0.00 0.00 33.84 33.75 1uuw n VAL 674 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 1uuw s GLN 675 N -2.29 0.69 -0.08 5.55 0.74 -0.88 -1.84 119.66 121.54 1uuw s GLN 675 Ca -0.02 1.19 0.02 0.00 0.05 0.00 0.00 55.36 56.61 1uuw s GLN 675 Cb 0.03 0.13 0.01 0.00 1.10 0.00 0.00 33.01 34.29 1uuw s GLN 675 CO 0.22 -0.15 -0.14 0.50 -0.55 0.00 0.00 175.29 175.16 1uuw s ARG 676 N 1.60 2.00 -0.11 1.67 3.52 -0.55 -0.41 118.95 126.69 1uuw s ARG 676 Ca -0.10 -0.51 0.01 0.00 -0.13 0.00 0.00 55.73 55.01 1uuw s ARG 676 Cb -0.05 -1.65 0.02 0.00 -1.56 0.00 0.00 34.95 31.70 1uuw s ARG 676 CO -0.19 0.01 -0.13 0.12 -0.81 0.00 0.00 175.30 174.30 1uuw s PHE 677 N 0.74 1.82 -0.09 5.12 5.36 0.01 -1.13 117.98 129.81 1uuw s PHE 677 Ca -0.12 -0.85 0.01 0.00 -0.96 0.00 0.00 56.93 55.00 1uuw s PHE 677 Cb -0.16 -1.35 0.02 0.00 -0.34 0.00 0.00 43.02 41.20 1uuw s PHE 677 CO 0.03 -0.46 -0.09 0.08 -1.46 0.00 0.00 175.22 173.32 1uuw s VAL 678 N 1.08 1.01 -0.65 3.12 1.01 -0.58 -1.11 120.40 124.28 1uuw s VAL 678 Ca -0.05 -0.32 -0.16 0.00 0.00 0.00 0.00 61.98 61.45 1uuw s VAL 678 Cb -0.15 -0.99 0.16 0.00 0.00 0.00 0.00 36.38 35.40 1uuw s VAL 678 CO -0.02 0.35 0.63 -0.62 0.00 0.00 0.00 175.10 175.44 1uuw s ASP 679 N 1.32 6.39 0.10 3.32 -1.08 -1.26 -1.12 116.67 124.34 1uuw s ASP 679 Ca -0.02 -2.05 -0.31 0.00 -0.52 0.00 0.00 52.55 49.64 1uuw s ASP 679 Cb -0.14 -2.23 -0.10 0.00 -1.46 0.00 0.00 42.92 39.00 1uuw s ASP 679 CO -0.04 -0.80 1.82 -0.47 0.52 0.00 0.00 175.17 176.20 1uuw s TYR 680 N 1.29 2.08 -0.29 -5.34 5.04 -0.64 -4.83 117.35 114.66 1uuw s TYR 680 Ca 0.10 -0.02 0.28 0.00 -2.44 0.00 0.00 57.07 54.98 1uuw s TYR 680 Cb -0.22 -4.15 0.96 0.00 0.35 0.00 0.00 41.96 38.90 1uuw s TYR 680 CO -0.01 -4.79 1.80 -1.00 -1.34 0.00 0.00 175.55 170.22 1uuw h PRO 681 N 8.81 0.00 -4.88 4.97 0.13 -1.90 -3.43 132.00 135.71 1uuw h PRO 681 Ca -0.46 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.02 1uuw h PRO 681 Cb 1.22 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.16 1uuw h PRO 681 CO 0.94 0.00 -0.54 -1.21 -0.23 0.00 0.00 178.00 176.97 1uuw s GLU 682 N -3.39 3.81 0.03 0.86 2.02 -1.26 -4.99 118.70 115.77 1uuw s GLU 682 Ca 0.05 -0.41 -0.25 0.00 0.02 0.00 0.00 54.97 54.38 1uuw s GLU 682 Cb 0.09 -3.60 -0.18 0.00 0.10 0.00 0.00 34.13 30.54 1uuw s GLU 682 CO 0.54 -0.22 1.48 -0.09 0.02 0.00 0.00 175.26 176.99 1uuw h ARG 683 N 8.36 0.00 -4.74 1.61 9.65 -1.91 -3.40 114.38 123.95 1uuw h ARG 683 Ca -0.35 -0.00 -0.68 0.00 -1.10 0.00 0.00 59.98 57.85 1uuw h ARG 683 Cb 1.18 -0.00 -0.23 0.00 -1.39 0.00 0.00 29.97 29.53 1uuw h ARG 683 CO 0.57 0.27 -0.55 0.42 2.80 0.00 0.00 179.97 183.48 1uuw s ILE 684 N -5.14 4.58 0.14 1.20 1.01 -1.26 -5.00 121.20 116.74 1uuw s ILE 684 Ca -0.15 -0.51 -0.30 0.00 0.00 0.00 0.00 60.65 59.69 1uuw s ILE 684 Cb 0.04 -3.38 -0.07 0.00 0.01 0.00 0.00 42.46 39.06 1uuw s ILE 684 CO 0.67 0.01 1.22 -0.76 0.00 0.00 0.00 174.94 176.08 1uuw s LEU 685 N 1.60 4.42 -0.40 2.97 1.43 -1.26 -4.91 118.68 122.52 1uuw s LEU 685 Ca 0.04 2.18 0.05 0.00 -1.03 0.00 0.00 54.13 55.37 1uuw s LEU 685 Cb -0.17 -3.60 0.53 0.00 0.03 0.00 0.00 46.19 42.98 1uuw s LEU 685 CO 0.06 -0.43 1.64 0.00 0.23 0.00 0.00 176.35 177.85 1uuw n GLN 686 N 3.08 2.35 -0.37 1.70 1.13 -1.26 -4.63 117.38 119.38 1uuw n GLN 686 Ca 0.06 -3.32 0.06 0.00 -1.94 0.00 0.00 57.00 51.87 1uuw n GLN 686 Cb 0.45 -2.06 0.10 0.00 0.11 0.00 0.00 30.24 28.84 1uuw n GLN 686 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1uuw n THR 687 N -1.03 1.27 0.00 5.09 -2.24 -1.26 -5.02 114.28 111.09 1uuw n THR 687 Ca 0.47 -1.69 0.00 0.00 -2.27 0.00 0.00 64.05 60.56 1uuw n THR 687 Cb 1.10 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 69.39 1uuw n THR 687 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1uuw n HIS 688 N -0.85 0.00 -3.81 4.78 8.25 -1.26 -4.77 115.22 117.55 1uuw n HIS 688 Ca 0.11 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.54 1uuw n HIS 688 Cb 0.70 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.82 1uuw n HIS 688 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1uuw s ASN 689 N 0.00 -0.09 -0.35 0.41 2.20 -1.26 -5.03 114.94 110.82 1uuw s ASN 689 Ca 0.00 -0.58 0.06 0.00 -0.94 0.00 0.00 52.86 51.40 1uuw s ASN 689 Cb 0.00 0.53 0.49 0.00 -2.00 0.00 0.00 41.25 40.27 1uuw s ASN 689 CO 0.00 -1.01 1.49 -0.11 -2.94 0.00 0.00 177.10 174.53 1uuw n LEU 690 N -0.57 4.92 -2.91 3.54 7.94 -1.26 -4.91 117.00 123.75 1uuw n LEU 690 Ca -0.05 -4.11 -0.25 0.00 -1.11 0.00 0.00 56.01 50.49 1uuw n LEU 690 Cb 0.60 -0.62 -0.06 0.00 0.53 0.00 0.00 43.42 43.87 1uuw n LEU 690 CO 0.18 1.51 2.49 0.23 -1.11 0.00 0.00 177.39 180.69 1uuw n MET 691 N -0.99 2.58 -4.05 1.96 2.81 -1.26 -4.82 117.12 113.34 1uuw n MET 691 Ca 0.41 -1.55 -0.09 0.00 -1.81 0.00 0.00 57.70 54.66 1uuw n MET 691 Cb 0.98 -2.43 -0.11 0.00 -0.71 0.00 0.00 33.22 30.96 1uuw n MET 691 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1uuw s VAL 692 N 2.34 0.25 -0.60 2.03 -7.23 -1.26 -5.11 120.40 110.82 1uuw s VAL 692 Ca 0.55 -1.36 -0.22 0.00 -1.81 0.00 0.00 61.98 59.14 1uuw s VAL 692 Cb 0.18 -0.90 0.06 0.00 0.56 0.00 0.00 36.38 36.28 1uuw s VAL 692 CO -0.03 -0.71 0.88 -0.36 -0.31 0.00 0.00 175.10 174.57 1uuw s PHE 693 N -2.59 2.79 -2.00 2.82 2.99 -1.26 -5.15 117.98 115.58 1uuw s PHE 693 Ca -0.04 -0.43 0.23 0.00 0.00 0.00 0.00 56.93 56.69 1uuw s PHE 693 Cb -0.02 -4.09 1.38 0.00 0.00 0.00 0.00 43.02 40.30 1uuw s PHE 693 CO -0.05 -1.44 1.75 1.28 -0.00 0.00 0.00 175.22 176.77