#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lqf n LEU 498 N 0.00 0.07 0.00 -0.35 4.32 -1.26 -2.45 117.00 117.33 1lqf n LEU 498 Ca 0.00 -0.03 0.02 0.00 -0.02 0.00 0.00 56.01 55.98 1lqf n LEU 498 Cb 0.00 -0.01 0.14 0.00 -1.62 0.00 0.00 43.42 41.92 1lqf n LEU 498 CO 0.00 0.01 0.58 -0.62 -1.22 0.00 0.00 177.39 176.14 1lqf n GLU 499 N 0.81 0.98 0.05 3.23 1.02 -1.26 -2.28 120.64 123.19 1lqf n GLU 499 Ca 0.00 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 56.94 1lqf n GLU 499 Cb 0.01 -1.07 -0.11 0.00 -0.02 0.00 0.00 31.44 30.24 1lqf n GLU 499 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1lqf h PHE 500 N 0.00 0.93 -0.57 -0.32 3.57 -1.92 -3.08 116.94 115.55 1lqf h PHE 500 Ca 0.00 -0.53 0.11 0.00 3.53 0.00 0.00 57.97 61.08 1lqf h PHE 500 Cb 0.00 -0.10 -0.11 0.00 2.79 0.00 0.00 35.95 38.54 1lqf h PHE 500 CO 0.00 1.37 -0.13 0.52 -2.23 0.00 0.00 178.31 177.84 1lqf h MET 501 N 0.23 0.01 -0.38 1.11 2.86 -1.77 -1.43 114.93 115.57 1lqf h MET 501 Ca -0.13 -0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.55 1lqf h MET 501 Cb 1.67 -0.00 -0.06 0.00 0.06 0.00 0.00 31.60 33.27 1lqf h MET 501 CO 0.19 0.00 -0.41 0.93 1.06 0.00 0.00 176.91 178.69 1lqf h GLU 502 N 0.01 -0.23 -0.19 1.72 5.08 -1.73 -2.64 114.58 116.60 1lqf h GLU 502 Ca 0.27 0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.70 1lqf h GLU 502 Cb 0.42 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.65 1lqf h GLU 502 CO -0.58 -0.15 -0.32 0.52 -1.00 0.00 0.00 179.01 177.48 1lqf h MET 503 N -0.24 -0.35 -0.70 2.33 2.86 -1.22 -1.04 114.93 116.57 1lqf h MET 503 Ca 0.06 0.02 0.14 0.00 -2.06 0.00 0.00 59.70 57.86 1lqf h MET 503 Cb 0.41 0.08 -0.04 0.00 0.06 0.00 0.00 31.60 32.11 1lqf h MET 503 CO -0.48 -0.23 0.47 0.93 1.06 0.00 0.00 176.91 178.66 1lqf h GLU 504 N -0.37 0.38 0.64 1.72 5.08 -1.35 0.66 114.58 121.34 1lqf h GLU 504 Ca 0.11 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 1lqf h GLU 504 Cb 0.54 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.71 1lqf h GLU 504 CO -0.39 0.25 -0.31 -0.22 -1.00 0.00 0.00 179.01 177.34 1lqf h LYS 505 N 0.39 -0.83 -0.42 2.33 3.64 -0.99 0.29 116.57 120.99 1lqf h LYS 505 Ca 0.34 0.06 0.09 0.00 -1.27 0.00 0.00 60.65 59.86 1lqf h LYS 505 Cb 0.78 0.19 -0.09 0.00 -0.41 0.00 0.00 32.23 32.71 1lqf h LYS 505 CO -0.10 -0.51 -0.16 1.49 -2.27 0.00 0.00 179.45 177.90 1lqf h GLU 506 N -1.09 -0.08 -0.68 1.90 4.81 0.30 0.24 114.58 119.99 1lqf h GLU 506 Ca -0.09 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.18 1lqf h GLU 506 Cb 0.70 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.06 1lqf h GLU 506 CO 0.14 -0.05 0.45 0.35 -0.73 0.00 0.00 179.01 179.17 1lqf h PHE 507 N -0.08 0.79 -0.42 0.92 3.04 0.33 -2.04 116.94 119.48 1lqf h PHE 507 Ca 0.20 0.02 -0.14 0.00 3.98 0.00 0.00 57.97 62.03 1lqf h PHE 507 Cb 0.39 -0.26 -0.01 0.00 2.56 0.00 0.00 35.95 38.63 1lqf h PHE 507 CO -0.42 0.46 -0.29 1.49 -2.02 0.00 0.00 178.31 177.54 1lqf h GLU 508 N 0.82 0.91 -0.53 1.11 4.57 0.27 -1.16 114.58 120.57 1lqf h GLU 508 Ca 0.27 -0.42 0.08 0.00 -1.18 0.00 0.00 59.36 58.10 1lqf h GLU 508 Cb 0.05 -0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 28.56 1lqf h GLU 508 CO -0.07 1.08 0.19 1.96 -1.18 0.00 0.00 179.01 180.98 1lqf h GLN 509 N 0.77 0.35 -0.53 1.92 1.08 -0.16 0.76 115.11 119.30 1lqf h GLN 509 Ca 0.09 -0.02 -0.09 0.00 -1.45 0.00 0.00 58.65 57.18 1lqf h GLN 509 Cb 0.86 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 28.19 1lqf h GLN 509 CO 0.08 0.23 -0.02 0.82 -0.95 0.00 0.00 178.83 178.99 1lqf h ILE 510 N 0.36 1.26 0.23 2.54 2.04 -1.29 -2.40 117.51 120.24 1lqf h ILE 510 Ca 0.26 -1.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.02 1lqf h ILE 510 Cb 0.30 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 1lqf h ILE 510 CO -0.27 0.39 -0.11 -0.78 0.00 0.00 0.00 178.15 177.38 1lqf h ASP 511 N 0.83 -0.26 -0.34 1.72 3.58 -0.03 -1.68 116.42 120.24 1lqf h ASP 511 Ca 0.15 -0.25 0.02 0.00 0.42 0.00 0.00 57.03 57.37 1lqf h ASP 511 Cb 0.52 0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.61 1lqf h ASP 511 CO 0.03 0.15 0.19 0.11 -2.88 0.00 0.00 179.24 176.83 1lqf h LYS 512 N -0.71 0.37 -0.61 0.28 1.57 -0.94 -1.61 116.57 114.93 1lqf h LYS 512 Ca -0.03 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1lqf h LYS 512 Cb 0.49 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1lqf h LYS 512 CO 0.05 0.25 0.00 -1.13 -0.57 0.00 0.00 179.45 178.05 1lqf n SER 513 N -4.91 1.82 -3.36 0.86 3.41 -0.91 -4.93 113.62 105.60 1lqf n SER 513 Ca -0.00 -2.15 -0.16 0.00 -0.26 0.00 0.00 58.87 56.30 1lqf n SER 513 Cb 0.06 -0.38 -0.05 0.00 -0.26 0.00 0.00 64.21 63.58 1lqf n SER 513 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1lqf n GLY 514 N 0.44 -0.07 0.28 5.00 0.00 -0.61 -4.77 105.19 105.47 1lqf n GLY 514 Ca 0.07 0.08 0.10 0.00 0.00 0.00 0.00 46.02 46.28 1lqf n GLY 514 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1lqf n SER 515 N -1.22 0.84 0.19 1.61 7.64 -0.87 -4.40 113.62 117.41 1lqf n SER 515 Ca -0.14 -1.57 -0.17 0.00 1.01 0.00 0.00 58.87 58.00 1lqf n SER 515 Cb 0.33 -0.05 -0.10 0.00 -1.01 0.00 0.00 64.21 63.38 1lqf n SER 515 CO 0.00 0.00 0.00 -0.50 -3.01 0.00 0.00 175.04 171.53 1lqf h TRP 516 N 1.11 -1.43 -0.81 1.43 -0.00 -1.86 -0.28 115.95 114.11 1lqf h TRP 516 Ca 0.00 0.03 0.14 0.00 -0.00 0.00 0.00 58.89 59.06 1lqf h TRP 516 Cb 0.24 0.58 -0.06 0.00 -0.00 0.00 0.00 29.16 29.93 1lqf h TRP 516 CO 0.05 -0.61 0.53 0.00 -0.00 0.00 0.00 178.44 178.41 1lqf h ALA 517 N -0.75 1.97 0.39 1.49 0.00 -1.87 0.16 119.26 120.65 1lqf h ALA 517 Ca -0.03 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1lqf h ALA 517 Cb 0.79 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1lqf h ALA 517 CO -0.17 -0.19 -0.19 0.00 0.00 0.00 0.00 179.25 178.70 1lqf h ALA 518 N 1.62 -0.52 -0.23 0.00 0.00 -1.68 -1.60 119.26 116.85 1lqf h ALA 518 Ca 0.40 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.19 1lqf h ALA 518 Cb 0.76 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 1lqf h ALA 518 CO -0.15 -0.69 -0.08 0.82 0.00 0.00 0.00 179.25 179.16 1lqf h ILE 519 N -0.74 0.73 -0.72 0.00 2.04 -0.05 -1.01 117.51 117.77 1lqf h ILE 519 Ca -0.05 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.92 1lqf h ILE 519 Cb 0.51 0.73 -0.08 0.00 -0.74 0.00 0.00 36.82 37.24 1lqf h ILE 519 CO 0.09 0.00 0.31 0.22 0.00 0.00 0.00 178.15 178.77 1lqf h TYR 520 N -0.03 0.55 -0.50 1.37 3.20 -0.71 -0.67 116.97 120.18 1lqf h TYR 520 Ca 0.12 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.95 1lqf h TYR 520 Cb 0.20 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.32 1lqf h TYR 520 CO -0.25 0.14 0.05 0.37 -1.64 0.00 0.00 178.16 176.82 1lqf h GLN 521 N 0.50 0.80 -0.72 1.82 5.75 -0.20 0.35 115.11 123.43 1lqf h GLN 521 Ca 0.37 -0.19 -0.01 0.00 -0.15 0.00 0.00 58.65 58.67 1lqf h GLN 521 Cb 0.49 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.90 1lqf h GLN 521 CO -0.33 0.78 0.42 -0.44 -2.65 0.00 0.00 178.83 176.60 1lqf h ASP 522 N 0.76 0.86 0.14 -0.69 3.32 0.05 0.21 116.42 121.08 1lqf h ASP 522 Ca 0.16 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 1lqf h ASP 522 Cb 0.39 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1lqf h ASP 522 CO 0.01 0.68 -0.07 0.40 -1.72 0.00 0.00 179.24 178.54 1lqf h ILE 523 N 0.99 0.96 -0.77 0.35 2.04 -0.77 -0.18 117.51 120.13 1lqf h ILE 523 Ca 0.26 -1.13 0.20 0.00 1.00 0.00 0.00 64.86 65.18 1lqf h ILE 523 Cb -0.02 1.59 -0.04 0.00 -0.74 0.00 0.00 36.82 37.61 1lqf h ILE 523 CO -0.05 0.24 0.53 0.03 0.00 0.00 0.00 178.15 178.91 1lqf h ARG 524 N -0.80 0.18 0.00 2.37 3.08 0.06 0.06 114.38 119.34 1lqf h ARG 524 Ca -0.02 -0.01 -0.10 0.00 0.07 0.00 0.00 59.98 59.92 1lqf h ARG 524 Cb 0.54 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.53 1lqf h ARG 524 CO 0.03 0.12 -1.04 1.25 -1.07 0.00 0.00 179.97 179.26 1lqf h HIS 525 N 0.18 0.00 0.00 3.04 2.76 -0.52 -3.33 115.15 117.27 1lqf h HIS 525 Ca 0.38 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.55 1lqf h HIS 525 Cb 1.22 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.18 1lqf h HIS 525 CO -0.00 0.36 -0.75 0.93 -1.30 0.00 0.00 177.93 177.17 1lqf h GLU 526 N 0.00 0.00 -6.40 5.26 5.08 0.69 -3.49 114.58 115.73 1lqf h GLU 526 Ca -0.08 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.68 1lqf h GLU 526 Cb 1.35 0.00 0.13 0.00 0.50 0.00 0.00 28.75 30.73 1lqf h GLU 526 CO 0.03 0.00 -0.19 0.00 -1.00 0.00 0.00 179.01 177.86 1lqf n ALA 527 N -1.87 -1.01 -1.36 3.43 0.00 -0.16 -4.95 120.51 114.58 1lqf n ALA 527 Ca 0.03 0.25 -0.32 0.00 0.00 0.00 0.00 53.44 53.39 1lqf n ALA 527 Cb 0.45 -1.87 0.07 0.00 0.00 0.00 0.00 19.45 18.10 1lqf n ALA 527 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1lqf s SER 528 N -0.83 4.70 -0.27 0.00 0.01 -1.26 -5.04 113.70 111.00 1lqf s SER 528 Ca 0.62 1.96 -0.03 0.00 1.31 0.00 0.00 55.95 59.81 1lqf s SER 528 Cb -0.64 -2.54 0.10 0.00 0.21 0.00 0.00 66.02 63.15 1lqf s SER 528 CO 0.58 -1.91 0.16 -0.62 0.41 0.00 0.00 173.24 171.86 1lqf s ASP 529 N -2.89 2.98 0.41 2.44 2.15 -1.26 -4.98 116.67 115.52 1lqf s ASP 529 Ca 0.65 -1.08 0.08 0.00 0.43 0.00 0.00 52.55 52.63 1lqf s ASP 529 Cb -0.20 -0.14 -0.03 0.00 -0.30 0.00 0.00 42.92 42.25 1lqf s ASP 529 CO 0.49 -0.42 0.34 -0.36 -0.17 0.00 0.00 175.17 175.04 1lqf s PHE 530 N 2.16 2.70 0.31 -5.34 0.40 -1.26 -5.12 117.98 111.83 1lqf s PHE 530 Ca 0.08 -0.50 -0.25 0.00 -0.60 0.00 0.00 56.93 55.67 1lqf s PHE 530 Cb -0.16 -2.11 -0.10 0.00 0.51 0.00 0.00 43.02 41.17 1lqf s PHE 530 CO -0.32 -0.05 0.90 -1.25 0.70 0.00 0.00 175.22 175.20 1lqf s PRO 531 N -4.08 4.52 -0.51 0.24 0.04 -1.26 -4.94 135.00 129.00 1lqf s PRO 531 Ca 0.46 1.24 0.06 0.00 0.04 0.00 0.00 61.00 62.80 1lqf s PRO 531 Cb -0.02 -2.81 0.37 0.00 0.04 0.00 0.00 34.50 32.09 1lqf s PRO 531 CO 0.27 0.30 1.00 0.00 0.04 0.00 0.00 177.00 178.60 1lqf h ARG 533 N 2.84 -1.14 -1.01 0.00 2.47 -1.95 -3.15 114.38 112.43 1lqf h ARG 533 Ca 0.18 0.08 0.28 0.00 -1.26 0.00 0.00 59.98 59.26 1lqf h ARG 533 Cb 0.69 0.26 -0.13 0.00 -1.65 0.00 0.00 29.97 29.14 1lqf h ARG 533 CO 0.81 -0.76 0.60 0.28 0.56 0.00 0.00 179.97 181.46 1lqf h VAL 534 N -1.30 0.45 -0.33 2.04 2.07 -1.93 0.37 116.25 117.62 1lqf h VAL 534 Ca -0.12 -0.16 0.01 0.00 0.82 0.00 0.00 66.70 67.24 1lqf h VAL 534 Cb 0.91 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 1lqf h VAL 534 CO 0.20 0.09 0.22 0.00 0.02 0.00 0.00 177.57 178.10 1lqf h ALA 535 N 1.76 1.78 -0.00 1.67 0.00 -1.84 -3.01 119.26 119.62 1lqf h ALA 535 Ca 0.67 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.56 1lqf h ALA 535 Cb 1.42 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1lqf h ALA 535 CO -0.50 0.20 -0.24 1.63 0.00 0.00 0.00 179.25 180.33 1lqf n LYS 536 N -4.49 0.19 -1.71 0.00 4.76 0.13 -4.62 118.16 112.42 1lqf n LYS 536 Ca 0.02 -0.07 -0.38 0.00 -2.87 0.00 0.00 58.31 55.00 1lqf n LYS 536 Cb 0.08 -1.50 0.05 0.00 -1.84 0.00 0.00 35.03 31.82 1lqf n LYS 536 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1lqf n LEU 537 N -1.34 5.04 -0.36 -0.35 4.32 -1.14 -4.87 117.00 118.30 1lqf n LEU 537 Ca 0.08 0.92 0.04 0.00 -0.02 0.00 0.00 56.01 57.04 1lqf n LEU 537 Cb 0.33 -1.52 0.20 0.00 -1.62 0.00 0.00 43.42 40.80 1lqf n LEU 537 CO 0.30 -0.97 1.24 -0.65 -1.22 0.00 0.00 177.39 176.08 1lqf h PRO 538 N 1.11 1.02 0.00 3.23 0.11 -1.92 -1.78 132.00 133.77 1lqf h PRO 538 Ca -0.50 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.54 1lqf h PRO 538 Cb 1.32 -0.23 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1lqf h PRO 538 CO 0.55 0.67 -0.02 1.57 -0.21 0.00 0.00 178.00 180.56 1lqf h LYS 539 N 1.05 0.00 -0.53 1.05 2.10 -1.96 -1.55 116.57 116.73 1lqf h LYS 539 Ca 0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.10 1lqf h LYS 539 Cb 0.33 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.66 1lqf h LYS 539 CO -0.22 0.02 0.00 0.09 -2.00 0.00 0.00 179.45 177.34 1lqf n ASN 540 N -3.31 3.55 -0.29 7.07 3.02 -0.68 -4.56 115.26 120.06 1lqf n ASN 540 Ca -0.02 -1.97 0.02 0.00 -0.03 0.00 0.00 54.58 52.57 1lqf n ASN 540 Cb 0.15 -0.35 0.22 0.00 -0.61 0.00 0.00 39.78 39.19 1lqf n ASN 540 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1lqf h LYS 541 N 3.91 1.05 -0.49 3.52 3.64 -1.16 -2.07 116.57 124.96 1lqf h LYS 541 Ca 0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1lqf h LYS 541 Cb 0.93 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 1lqf h LYS 541 CO 0.00 0.69 0.00 0.27 -2.27 0.00 0.00 179.45 178.14 1lqf n ASN 542 N -4.45 2.61 -0.59 4.20 2.04 -1.26 -3.59 115.26 114.21 1lqf n ASN 542 Ca 0.12 -2.02 0.11 0.00 -0.44 0.00 0.00 54.58 52.34 1lqf n ASN 542 Cb 0.12 -0.33 0.02 0.00 -2.53 0.00 0.00 39.78 37.06 1lqf n ASN 542 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 1lqf n ARG 543 N 0.88 1.55 -4.24 -3.83 1.74 -0.78 -4.88 116.66 107.10 1lqf n ARG 543 Ca 0.16 -1.21 -0.34 0.00 -0.77 0.00 0.00 57.85 55.68 1lqf n ARG 543 Cb 0.42 -1.43 -0.13 0.00 -1.02 0.00 0.00 32.46 30.30 1lqf n ARG 543 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1lqf s ASN 544 N -2.21 4.74 0.43 0.55 0.01 -1.23 -4.52 114.94 112.72 1lqf s ASN 544 Ca 0.20 -0.19 0.24 0.00 -0.71 0.00 0.00 52.86 52.40 1lqf s ASN 544 Cb 0.17 -1.79 0.73 0.00 0.41 0.00 0.00 41.25 40.77 1lqf s ASN 544 CO 0.46 0.11 1.74 -0.09 -1.51 0.00 0.00 177.10 177.81 1lqf h ARG 545 N 7.15 0.00 -3.81 -0.60 2.43 -1.90 -3.44 114.38 114.21 1lqf h ARG 545 Ca -0.34 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 58.57 1lqf h ARG 545 Cb 1.18 0.00 -0.29 0.00 -0.42 0.00 0.00 29.97 30.44 1lqf h ARG 545 CO 0.62 0.20 -0.73 0.71 -1.51 0.00 0.00 179.97 179.25 1lqf s TYR 546 N -3.44 0.11 -0.77 2.20 1.51 -1.26 -5.01 117.35 110.69 1lqf s TYR 546 Ca 0.03 -0.00 0.20 0.00 -1.01 0.00 0.00 57.07 56.28 1lqf s TYR 546 Cb 0.08 -0.11 0.82 0.00 -0.11 0.00 0.00 41.96 42.64 1lqf s TYR 546 CO 0.65 -0.02 1.62 2.89 -1.11 0.00 0.00 175.55 179.57 1lqf n ARG 547 N 3.26 0.09 0.00 -0.62 1.85 -1.26 -3.08 116.66 116.91 1lqf n ARG 547 Ca -0.15 0.30 0.06 0.00 -1.00 0.00 0.00 57.85 57.05 1lqf n ARG 547 Cb 0.58 -1.67 0.02 0.00 -1.05 0.00 0.00 32.46 30.34 1lqf n ARG 547 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 1lqf n ASP 548 N -1.84 1.60 -4.30 2.89 5.75 -1.26 -4.90 116.55 114.49 1lqf n ASP 548 Ca 0.03 -1.30 -0.36 0.00 -0.01 0.00 0.00 54.79 53.16 1lqf n ASP 548 Cb 0.22 0.25 -0.14 0.00 -1.03 0.00 0.00 41.12 40.42 1lqf n ASP 548 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1lqf s VAL 549 N -1.21 3.47 0.02 2.12 1.01 -1.18 -5.09 120.40 119.54 1lqf s VAL 549 Ca 0.11 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.41 1lqf s VAL 549 Cb 0.09 -2.70 -0.02 0.00 0.00 0.00 0.00 36.38 33.76 1lqf s VAL 549 CO 0.21 0.25 -0.03 -0.44 0.00 0.00 0.00 175.10 175.09 1lqf s SER 550 N 1.45 0.23 0.23 3.32 0.01 -1.26 -4.72 113.70 112.96 1lqf s SER 550 Ca 0.03 -0.40 -0.29 0.00 1.31 0.00 0.00 55.95 56.61 1lqf s SER 550 Cb -0.16 0.08 -0.09 0.00 0.21 0.00 0.00 66.02 66.06 1lqf s SER 550 CO -0.01 -0.23 0.90 -2.16 0.41 0.00 0.00 173.24 172.15 1lqf s PRO 551 N -1.16 4.79 0.54 12.44 0.04 -1.26 -4.59 135.00 145.79 1lqf s PRO 551 Ca -0.12 1.41 -0.20 0.00 0.04 0.00 0.00 61.00 62.13 1lqf s PRO 551 Cb -0.08 -3.26 -0.06 0.00 0.04 0.00 0.00 34.50 31.14 1lqf s PRO 551 CO -0.01 0.52 1.16 -0.06 0.04 0.00 0.00 177.00 178.65 1lqf s PHE 552 N -1.19 2.64 0.42 0.56 0.08 -1.26 -4.60 117.98 114.62 1lqf s PHE 552 Ca 0.40 1.53 0.14 0.00 0.12 0.00 0.00 56.93 59.12 1lqf s PHE 552 Cb -0.25 -3.36 0.88 0.00 -0.57 0.00 0.00 43.02 39.72 1lqf s PHE 552 CO 0.30 -1.73 1.92 -0.44 -0.10 0.00 0.00 175.22 175.17 1lqf h ASP 553 N 1.29 0.00 1.10 1.36 3.32 -1.50 -0.84 116.42 121.14 1lqf h ASP 553 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 1lqf h ASP 553 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 1lqf h ASP 553 CO 0.57 0.26 0.00 1.12 -1.72 0.00 0.00 179.24 179.47 1lqf h HIS 554 N 0.00 0.00 0.00 4.55 2.07 -1.91 -3.32 115.15 116.53 1lqf h HIS 554 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1lqf h HIS 554 Cb 0.46 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.44 1lqf h HIS 554 CO 0.00 0.00 0.00 -1.13 -3.07 0.00 0.00 177.93 173.73 1lqf n SER 555 N -2.83 0.59 -4.74 3.10 3.41 -1.13 -5.07 113.62 106.95 1lqf n SER 555 Ca 0.02 -1.21 -0.35 0.00 -0.26 0.00 0.00 58.87 57.07 1lqf n SER 555 Cb 0.32 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.33 1lqf n SER 555 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1lqf s ARG 556 N -0.21 2.62 -0.11 4.33 1.70 -0.34 -1.13 118.95 125.82 1lqf s ARG 556 Ca 0.00 1.83 -0.22 0.00 -0.47 0.00 0.00 55.73 56.87 1lqf s ARG 556 Cb 0.00 -1.88 -0.03 0.00 -0.57 0.00 0.00 34.95 32.46 1lqf s ARG 556 CO 0.00 -1.48 0.66 0.42 -1.08 0.00 0.00 175.30 173.82 1lqf s ILE 557 N -1.72 5.05 -0.16 4.99 -1.09 0.03 -4.78 121.20 123.52 1lqf s ILE 557 Ca 0.77 1.33 -0.10 0.00 -2.23 0.00 0.00 60.65 60.43 1lqf s ILE 557 Cb -0.31 -4.00 -0.05 0.00 -1.58 0.00 0.00 42.46 36.53 1lqf s ILE 557 CO 0.39 0.21 0.16 -0.54 -1.23 0.00 0.00 174.94 173.93 1lqf s LYS 558 N 1.12 3.94 0.33 2.79 1.02 -1.26 -4.33 119.74 123.35 1lqf s LYS 558 Ca 0.34 -0.13 -0.25 0.00 0.02 0.00 0.00 55.97 55.95 1lqf s LYS 558 Cb -0.17 -3.34 -0.10 0.00 -0.52 0.00 0.00 37.83 33.71 1lqf s LYS 558 CO 0.15 0.47 0.93 -0.51 -0.92 0.00 0.00 175.35 175.46 1lqf s LEU 559 N -0.14 4.27 -1.38 3.17 1.43 0.31 -4.97 118.68 121.36 1lqf s LEU 559 Ca 0.12 1.78 -0.10 0.00 -1.03 0.00 0.00 54.13 54.89 1lqf s LEU 559 Cb -0.12 -4.07 0.09 0.00 0.03 0.00 0.00 46.19 42.12 1lqf s LEU 559 CO 0.01 -0.11 2.21 1.41 0.23 0.00 0.00 176.35 180.10 1lqf n HIS 560 N 0.36 2.97 -4.54 0.29 8.25 -1.26 -4.58 115.22 116.71 1lqf n HIS 560 Ca 0.03 -2.89 -0.22 0.00 -0.26 0.00 0.00 57.72 54.37 1lqf n HIS 560 Cb 0.51 -2.17 -0.14 0.00 1.12 0.00 0.00 29.99 29.31 1lqf n HIS 560 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1lqf s GLN 561 N 1.14 1.14 0.32 -0.41 -0.21 -1.26 -5.05 119.66 115.34 1lqf s GLN 561 Ca 0.48 -0.73 0.17 0.00 0.02 0.00 0.00 55.36 55.30 1lqf s GLN 561 Cb 0.14 -1.16 0.28 0.00 1.00 0.00 0.00 33.01 33.26 1lqf s GLN 561 CO -0.05 0.30 1.54 0.93 -2.12 0.00 0.00 175.29 175.90 1lqf h GLU 562 N 5.18 0.00 0.00 2.91 4.39 -2.03 -3.40 114.58 121.62 1lqf h GLU 562 Ca -0.38 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.32 1lqf h GLU 562 Cb 1.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 1lqf h GLU 562 CO 0.45 0.41 -0.03 0.22 -1.16 0.00 0.00 179.01 178.91 1lqf h ASP 563 N 0.00 0.00 -3.20 1.42 3.58 -1.97 -3.47 116.42 112.77 1lqf h ASP 563 Ca -0.00 0.00 -0.52 0.00 0.42 0.00 0.00 57.03 56.92 1lqf h ASP 563 Cb 1.21 0.00 -0.37 0.00 1.72 0.00 0.00 39.33 41.89 1lqf h ASP 563 CO 0.05 0.04 -0.80 0.21 -2.88 0.00 0.00 179.24 175.87 1lqf s ASN 564 N -3.61 2.23 0.00 2.28 3.84 -1.26 -5.01 114.94 113.40 1lqf s ASN 564 Ca -0.01 -0.33 0.24 0.00 0.21 0.00 0.00 52.86 52.96 1lqf s ASN 564 Cb 0.00 -0.82 0.40 0.00 -0.55 0.00 0.00 41.25 40.28 1lqf s ASN 564 CO 0.01 -0.13 1.39 -0.90 -2.79 0.00 0.00 177.10 174.68 1lqf n ASP 565 N 4.95 3.14 -4.77 -4.21 5.68 -1.26 -4.71 116.55 115.38 1lqf n ASP 565 Ca -0.12 -1.96 -0.39 0.00 -0.50 0.00 0.00 54.79 51.82 1lqf n ASP 565 Cb 0.50 -0.16 -0.04 0.00 -1.14 0.00 0.00 41.12 40.28 1lqf n ASP 565 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1lqf s TYR 566 N -1.68 3.47 -0.26 2.11 5.04 -1.26 -0.53 117.35 124.24 1lqf s TYR 566 Ca 0.35 1.68 -0.22 0.00 -2.44 0.00 0.00 57.07 56.45 1lqf s TYR 566 Cb 0.22 -3.24 0.07 0.00 0.35 0.00 0.00 41.96 39.35 1lqf s TYR 566 CO 0.31 -0.60 0.68 -1.50 -1.34 0.00 0.00 175.55 173.10 1lqf s ILE 567 N -1.32 -0.00 -1.14 3.14 2.07 -1.26 -4.88 121.20 117.81 1lqf s ILE 567 Ca 0.49 0.00 -0.21 0.00 -1.41 0.00 0.00 60.65 59.52 1lqf s ILE 567 Cb -0.29 -0.95 0.02 0.00 0.13 0.00 0.00 42.46 41.36 1lqf s ILE 567 CO 0.37 0.00 1.72 0.21 -1.91 0.00 0.00 174.94 175.33 1lqf s ASN 568 N 0.69 6.15 -0.19 4.50 3.84 -1.26 -4.59 114.94 124.07 1lqf s ASN 568 Ca -0.03 -1.76 -0.26 0.00 0.21 0.00 0.00 52.86 51.03 1lqf s ASN 568 Cb -0.05 -2.58 0.07 0.00 -0.55 0.00 0.00 41.25 38.14 1lqf s ASN 568 CO -0.04 -1.87 0.67 0.00 -2.79 0.00 0.00 177.10 173.07 1lqf s ALA 569 N 6.61 -1.69 0.13 1.71 0.00 -1.26 -3.09 121.76 124.18 1lqf s ALA 569 Ca 0.57 1.70 0.09 0.00 0.00 0.00 0.00 51.96 54.32 1lqf s ALA 569 Cb 0.00 -0.76 -0.04 0.00 0.00 0.00 0.00 23.12 22.33 1lqf s ALA 569 CO 0.03 -0.34 -0.22 -1.12 0.00 0.00 0.00 175.76 174.11 1lqf s SER 570 N -0.15 2.87 -0.34 0.00 0.01 0.10 -0.79 113.70 115.39 1lqf s SER 570 Ca -0.04 -0.76 -0.12 0.00 1.31 0.00 0.00 55.95 56.34 1lqf s SER 570 Cb -0.03 -0.18 -0.01 0.00 0.21 0.00 0.00 66.02 66.01 1lqf s SER 570 CO 0.04 0.07 0.22 -0.22 0.41 0.00 0.00 173.24 173.76 1lqf s LEU 571 N -2.21 4.49 -0.31 2.44 2.96 -0.28 -1.30 118.68 124.45 1lqf s LEU 571 Ca 0.12 -0.57 -0.17 0.00 -0.22 0.00 0.00 54.13 53.29 1lqf s LEU 571 Cb -0.09 -2.09 -0.02 0.00 0.50 0.00 0.00 46.19 44.50 1lqf s LEU 571 CO 0.06 -0.26 0.45 -0.63 -1.32 0.00 0.00 176.35 174.65 1lqf s ILE 572 N 1.67 5.09 -0.30 6.68 1.09 -0.16 -4.87 121.20 130.39 1lqf s ILE 572 Ca 0.05 0.43 0.02 0.00 -1.10 0.00 0.00 60.65 60.06 1lqf s ILE 572 Cb -0.18 -3.85 0.08 0.00 -1.06 0.00 0.00 42.46 37.45 1lqf s ILE 572 CO 0.09 -0.06 -0.02 -0.75 -0.10 0.00 0.00 174.94 174.10 1lqf s LYS 573 N 2.24 1.98 -0.42 2.79 2.20 -1.26 -1.59 119.74 125.68 1lqf s LYS 573 Ca 0.17 -1.55 -0.18 0.00 -0.36 0.00 0.00 55.97 54.05 1lqf s LYS 573 Cb -0.16 -3.08 0.02 0.00 -1.51 0.00 0.00 37.83 33.10 1lqf s LYS 573 CO 0.12 -0.74 0.48 -1.64 -0.36 0.00 0.00 175.35 173.21 1lqf s MET 574 N 1.05 3.17 0.00 4.03 -1.94 -0.54 -4.98 119.30 120.09 1lqf s MET 574 Ca -0.01 -0.64 0.00 0.00 -1.71 0.00 0.00 55.69 53.33 1lqf s MET 574 Cb -0.20 -3.95 0.00 0.00 2.01 0.00 0.00 34.83 32.69 1lqf s MET 574 CO -0.06 -0.86 0.71 -1.91 -0.01 0.00 0.00 175.02 172.89 1lqf n GLU 575 N 5.74 0.00 -0.02 2.03 2.13 -1.26 -0.66 120.64 128.59 1lqf n GLU 575 Ca -0.06 0.39 -0.12 0.00 0.66 0.00 0.00 57.16 58.03 1lqf n GLU 575 Cb 0.48 -1.21 -0.06 0.00 0.27 0.00 0.00 31.44 30.91 1lqf n GLU 575 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1lqf h GLU 576 N 0.00 -0.45 0.00 5.31 4.81 -1.98 -1.06 114.58 121.21 1lqf h GLU 576 Ca 0.00 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1lqf h GLU 576 Cb 0.00 0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.48 1lqf h GLU 576 CO 0.00 -0.30 -0.06 0.00 -0.73 0.00 0.00 179.01 177.92 1lqf h ALA 577 N 0.13 1.31 -5.62 2.92 0.00 -1.95 -3.47 119.26 112.57 1lqf h ALA 577 Ca 0.08 -0.05 -0.29 0.00 0.00 0.00 0.00 54.91 54.64 1lqf h ALA 577 Cb 0.63 -0.01 0.17 0.00 0.00 0.00 0.00 17.79 18.58 1lqf h ALA 577 CO -0.43 0.08 -0.86 1.04 0.00 0.00 0.00 179.25 179.07 1lqf n GLN 578 N -3.60 -2.61 -3.82 0.00 6.02 0.17 -4.97 117.38 108.57 1lqf n GLN 578 Ca -0.02 0.79 -0.12 0.00 -0.01 0.00 0.00 57.00 57.64 1lqf n GLN 578 Cb 0.17 -5.53 -0.10 0.00 1.02 0.00 0.00 30.24 25.80 1lqf n GLN 578 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1lqf s ARG 579 N -4.81 0.49 0.04 -1.09 3.52 -1.05 -4.96 118.95 111.09 1lqf s ARG 579 Ca 0.40 -0.17 0.03 0.00 -0.13 0.00 0.00 55.73 55.86 1lqf s ARG 579 Cb -0.07 0.22 -0.02 0.00 -1.56 0.00 0.00 34.95 33.51 1lqf s ARG 579 CO 0.76 -0.12 -0.09 -1.12 -0.81 0.00 0.00 175.30 173.93 1lqf s SER 580 N -1.02 0.97 0.09 -2.12 0.01 -1.26 -1.47 113.70 108.90 1lqf s SER 580 Ca -0.11 -0.50 -0.02 0.00 1.31 0.00 0.00 55.95 56.64 1lqf s SER 580 Cb -0.05 0.01 -0.04 0.00 0.21 0.00 0.00 66.02 66.14 1lqf s SER 580 CO 0.02 -0.14 0.03 -0.31 0.41 0.00 0.00 173.24 173.25 1lqf s TYR 581 N -1.18 0.63 -0.22 2.43 1.51 -0.62 -4.01 117.35 115.88 1lqf s TYR 581 Ca -0.07 -1.10 0.02 0.00 -1.01 0.00 0.00 57.07 54.91 1lqf s TYR 581 Cb -0.09 -0.39 0.04 0.00 -0.11 0.00 0.00 41.96 41.41 1lqf s TYR 581 CO 0.01 -0.46 -0.14 0.42 -1.11 0.00 0.00 175.55 174.27 1lqf s ILE 582 N -3.97 2.02 -0.13 2.71 1.01 -0.52 -0.99 121.20 121.33 1lqf s ILE 582 Ca 0.14 -1.28 -0.11 0.00 0.00 0.00 0.00 60.65 59.40 1lqf s ILE 582 Cb 0.07 -2.03 -0.05 0.00 0.01 0.00 0.00 42.46 40.47 1lqf s ILE 582 CO -0.05 0.20 0.23 -0.76 0.00 0.00 0.00 174.94 174.56 1lqf s LEU 583 N 1.22 4.32 0.15 2.97 1.02 -0.42 0.03 118.68 127.96 1lqf s LEU 583 Ca -0.03 0.51 -0.06 0.00 0.02 0.00 0.00 54.13 54.57 1lqf s LEU 583 Cb -0.17 -2.26 -0.02 0.00 0.02 0.00 0.00 46.19 43.76 1lqf s LEU 583 CO -0.08 0.24 0.19 0.28 0.02 0.00 0.00 176.35 177.00 1lqf s THR 584 N -0.24 0.09 0.69 5.49 -1.32 -0.66 -0.72 115.64 118.97 1lqf s THR 584 Ca 0.15 -1.58 -0.11 0.00 -1.21 0.00 0.00 61.69 58.94 1lqf s THR 584 Cb -0.13 -1.88 0.01 0.00 -1.51 0.00 0.00 72.50 68.99 1lqf s THR 584 CO 0.04 -0.39 1.08 0.00 -2.21 0.00 0.00 174.62 173.14 1lqf s GLN 585 N -3.99 2.96 0.09 7.08 -2.07 -1.18 -3.53 119.66 119.02 1lqf s GLN 585 Ca 0.19 0.49 -0.31 0.00 -1.82 0.00 0.00 55.36 53.90 1lqf s GLN 585 Cb 0.05 -2.04 -0.08 0.00 -1.09 0.00 0.00 33.01 29.85 1lqf s GLN 585 CO -0.00 -0.97 1.51 0.20 -1.32 0.00 0.00 175.29 174.71 1lqf s GLY 586 N -4.34 1.74 0.43 2.60 0.00 0.86 -4.82 107.32 103.80 1lqf s GLY 586 Ca 0.58 1.16 -0.22 0.00 0.00 0.00 0.00 44.72 46.23 1lqf s GLY 586 CO 0.52 2.59 0.57 -1.05 0.00 0.00 0.00 173.10 175.73 1lqf n PRO 587 N 4.67 0.61 -3.59 2.90 -0.02 -1.26 -4.71 135.00 133.60 1lqf n PRO 587 Ca 0.14 0.22 -0.23 0.00 -2.02 0.00 0.00 63.50 61.61 1lqf n PRO 587 Cb 0.41 -1.55 -0.01 0.00 -0.02 0.00 0.00 33.50 32.33 1lqf n PRO 587 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1lqf s LEU 588 N 1.56 4.12 0.57 2.45 1.43 -1.26 -1.74 118.68 125.80 1lqf s LEU 588 Ca 0.64 0.29 0.28 0.00 -1.03 0.00 0.00 54.13 54.31 1lqf s LEU 588 Cb -0.59 -3.13 1.49 0.00 0.03 0.00 0.00 46.19 43.99 1lqf s LEU 588 CO 0.58 -0.23 1.94 -0.65 0.23 0.00 0.00 176.35 178.22 1lqf h PRO 589 N 0.90 0.00 -0.02 1.29 0.11 -1.96 0.13 132.00 132.44 1lqf h PRO 589 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1lqf h PRO 589 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1lqf h PRO 589 CO 0.61 0.00 -0.15 0.27 -0.21 0.00 0.00 178.00 178.52 1lqf n ASN 590 N -3.90 2.56 -0.52 -2.05 6.94 -1.26 -4.39 115.26 112.65 1lqf n ASN 590 Ca 0.09 -1.78 0.05 0.00 -0.02 0.00 0.00 54.58 52.92 1lqf n ASN 590 Cb 0.64 0.16 0.09 0.00 -2.36 0.00 0.00 39.78 38.31 1lqf n ASN 590 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 1lqf n THR 591 N 0.83 0.43 0.05 5.53 -1.04 0.42 -4.64 114.28 115.87 1lqf n THR 591 Ca 0.12 -0.72 -0.06 0.00 -2.04 0.00 0.00 64.05 61.35 1lqf n THR 591 Cb 0.52 0.91 0.13 0.00 -1.82 0.00 0.00 70.33 70.07 1lqf n THR 591 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1lqf h GLY 593 N 1.25 0.53 0.49 0.00 0.00 -1.91 -2.80 103.07 100.63 1lqf h GLY 593 Ca 0.01 -0.36 0.05 0.00 0.00 0.00 0.00 47.33 47.03 1lqf h GLY 593 CO 0.09 0.33 -0.11 0.45 0.00 0.00 0.00 176.54 177.30 1lqf h HIS 594 N 0.31 -0.26 -0.47 5.60 -0.00 -1.84 0.18 115.15 118.68 1lqf h HIS 594 Ca 0.09 0.02 0.09 0.00 -0.00 0.00 0.00 60.37 60.57 1lqf h HIS 594 Cb 0.36 0.14 -0.09 0.00 -0.00 0.00 0.00 27.41 27.82 1lqf h HIS 594 CO 0.02 -0.16 -0.12 0.35 -0.00 0.00 0.00 177.93 178.02 1lqf h PHE 595 N -0.09 -0.26 0.00 2.45 3.04 -1.26 0.29 116.94 121.11 1lqf h PHE 595 Ca 0.11 0.04 -0.09 0.00 3.98 0.00 0.00 57.97 62.01 1lqf h PHE 595 Cb 0.25 0.19 -0.01 0.00 2.56 0.00 0.00 35.95 38.94 1lqf h PHE 595 CO -0.26 -0.21 -0.42 -1.49 -2.02 0.00 0.00 178.31 173.91 1lqf h TRP 596 N -0.01 0.00 -0.39 0.41 4.06 -1.26 -2.02 115.95 116.75 1lqf h TRP 596 Ca 0.22 0.00 -0.12 0.00 2.06 0.00 0.00 58.89 61.05 1lqf h TRP 596 Cb 0.35 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.49 1lqf h TRP 596 CO -0.40 0.42 -0.24 1.49 -3.56 0.00 0.00 178.44 176.15 1lqf h GLU 597 N 0.00 0.78 -0.33 0.49 4.81 0.02 -0.55 114.58 119.80 1lqf h GLU 597 Ca -0.00 -0.32 -0.08 0.00 -0.13 0.00 0.00 59.36 58.82 1lqf h GLU 597 Cb 1.04 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.38 1lqf h GLU 597 CO 0.05 0.94 -0.11 1.98 -0.73 0.00 0.00 179.01 181.15 1lqf h MET 598 N 0.68 0.65 -0.38 1.92 4.05 -0.74 0.01 114.93 121.12 1lqf h MET 598 Ca 0.09 -0.26 0.03 0.00 -0.28 0.00 0.00 59.70 59.28 1lqf h MET 598 Cb 0.76 -0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 31.49 1lqf h MET 598 CO 0.06 0.84 0.17 0.28 0.23 0.00 0.00 176.91 178.49 1lqf h VAL 599 N 0.43 0.94 0.71 -5.77 2.07 -1.14 0.42 116.25 113.91 1lqf h VAL 599 Ca 0.08 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 1lqf h VAL 599 Cb 0.62 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1lqf h VAL 599 CO 0.04 0.06 -0.36 -0.25 0.02 0.00 0.00 177.57 177.08 1lqf h TRP 600 N 0.35 -0.94 -0.33 1.57 2.91 -0.76 -1.64 115.95 117.11 1lqf h TRP 600 Ca 0.17 -0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.16 1lqf h TRP 600 Cb 0.10 0.32 -0.02 0.00 -0.51 0.00 0.00 29.16 29.06 1lqf h TRP 600 CO -0.12 -0.57 0.16 0.93 -1.03 0.00 0.00 178.44 177.81 1lqf h GLU 601 N -0.98 0.44 -0.01 2.65 5.08 -0.88 -1.75 114.58 119.14 1lqf h GLU 601 Ca -0.09 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1lqf h GLU 601 Cb 0.76 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1lqf h GLU 601 CO 0.14 0.34 -0.16 1.04 -1.00 0.00 0.00 179.01 179.38 1lqf n GLN 602 N -4.44 0.83 -3.68 2.33 1.13 0.13 -4.94 117.38 108.74 1lqf n GLN 602 Ca 0.02 -0.40 -0.24 0.00 -1.94 0.00 0.00 57.00 54.44 1lqf n GLN 602 Cb 0.11 -1.49 0.06 0.00 0.11 0.00 0.00 30.24 29.03 1lqf n GLN 602 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1lqf n LYS 603 N -0.74 -6.58 -2.36 -1.09 5.02 -0.66 -4.14 118.16 107.61 1lqf n LYS 603 Ca 0.14 0.73 -0.33 0.00 -2.02 0.00 0.00 58.31 56.83 1lqf n LYS 603 Cb 0.31 -5.66 -0.02 0.00 -0.02 0.00 0.00 35.03 29.64 1lqf n LYS 603 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1lqf s SER 604 N -3.65 6.17 -0.03 4.39 0.01 -0.95 -0.85 113.70 118.79 1lqf s SER 604 Ca 0.42 1.86 0.09 0.00 1.31 0.00 0.00 55.95 59.64 1lqf s SER 604 Cb -0.20 -2.55 -0.14 0.00 0.21 0.00 0.00 66.02 63.34 1lqf s SER 604 CO 0.77 -0.90 0.18 -1.14 0.41 0.00 0.00 173.24 172.56 1lqf n ARG 605 N -1.39 0.65 -4.06 12.44 0.00 -1.26 -4.87 116.66 118.16 1lqf n ARG 605 Ca 0.09 -0.08 -0.08 0.00 -0.00 0.00 0.00 57.85 57.78 1lqf n ARG 605 Cb 0.53 -1.23 -0.10 0.00 0.00 0.00 0.00 32.46 31.65 1lqf n ARG 605 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1lqf s GLY 606 N -3.28 0.44 -0.06 5.14 0.00 -1.26 -1.26 107.32 107.03 1lqf s GLY 606 Ca -0.04 -1.01 0.01 0.00 0.00 0.00 0.00 44.72 43.68 1lqf s GLY 606 CO 0.40 -1.11 -0.08 0.14 0.00 0.00 0.00 173.10 172.45 1lqf s VAL 607 N -2.99 0.85 -0.25 1.40 1.01 0.19 -1.94 120.40 118.67 1lqf s VAL 607 Ca -0.00 -0.29 -0.05 0.00 0.00 0.00 0.00 61.98 61.64 1lqf s VAL 607 Cb 0.01 -0.82 -0.00 0.00 0.00 0.00 0.00 36.38 35.56 1lqf s VAL 607 CO -0.06 0.30 0.01 -0.69 0.00 0.00 0.00 175.10 174.66 1lqf s VAL 608 N 0.93 3.65 -0.26 2.92 1.01 0.93 -0.81 120.40 128.76 1lqf s VAL 608 Ca -0.10 -0.55 -0.07 0.00 0.00 0.00 0.00 61.98 61.26 1lqf s VAL 608 Cb -0.15 -2.76 -0.02 0.00 0.00 0.00 0.00 36.38 33.46 1lqf s VAL 608 CO 0.01 0.29 0.07 -0.32 0.00 0.00 0.00 175.10 175.15 1lqf s MET 609 N 1.49 3.47 0.00 2.72 0.00 0.86 -1.25 119.30 126.59 1lqf s MET 609 Ca 0.04 -0.60 0.20 0.00 0.00 0.00 0.00 55.69 55.33 1lqf s MET 609 Cb -0.15 -3.34 0.15 0.00 0.00 0.00 0.00 34.83 31.49 1lqf s MET 609 CO -0.01 -0.27 1.14 1.28 0.00 0.00 0.00 175.02 177.16 1lqf n LEU 610 N 4.91 2.66 0.00 4.11 4.77 -0.23 0.13 117.00 133.35 1lqf n LEU 610 Ca -0.16 -0.99 0.00 0.00 -0.03 0.00 0.00 56.01 54.83 1lqf n LEU 610 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1lqf n LEU 610 CO 0.31 0.46 0.00 -0.46 -1.33 0.00 0.00 177.39 176.37 1lqf n ASN 611 N 1.09 1.93 -4.48 -1.43 6.94 -1.26 -4.54 115.26 113.50 1lqf n ASN 611 Ca 0.12 -0.94 -0.23 0.00 -0.02 0.00 0.00 54.58 53.50 1lqf n ASN 611 Cb 0.50 0.00 -0.11 0.00 -2.36 0.00 0.00 39.78 37.82 1lqf n ASN 611 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1lqf s ARG 612 N -1.81 1.68 0.11 -3.83 0.52 -1.26 -4.79 118.95 109.57 1lqf s ARG 612 Ca 0.00 -1.89 -0.19 0.00 -0.52 0.00 0.00 55.73 53.13 1lqf s ARG 612 Cb 0.00 -1.30 -0.07 0.00 0.52 0.00 0.00 34.95 34.10 1lqf s ARG 612 CO 0.00 0.01 1.69 0.28 0.02 0.00 0.00 175.30 177.30 1lqf h VAL 613 N 2.12 1.12 -4.42 3.52 2.07 -1.95 -3.38 116.25 115.33 1lqf h VAL 613 Ca -0.41 -0.34 -0.64 0.00 0.82 0.00 0.00 66.70 66.13 1lqf h VAL 613 Cb 1.24 0.95 -0.29 0.00 -1.52 0.00 0.00 31.29 31.67 1lqf h VAL 613 CO 0.70 0.12 -0.87 -0.32 0.02 0.00 0.00 177.57 177.23 1lqf s MET 614 N -5.79 1.76 0.01 1.57 -2.45 -1.26 -0.49 119.30 112.64 1lqf s MET 614 Ca -0.13 -0.86 -0.00 0.00 -1.25 0.00 0.00 55.69 53.44 1lqf s MET 614 Cb 0.08 -1.75 -0.01 0.00 1.25 0.00 0.00 34.83 34.40 1lqf s MET 614 CO 0.71 0.47 -0.01 -1.21 1.05 0.00 0.00 175.02 176.03 1lqf s GLU 615 N -0.71 0.13 -1.27 4.11 2.02 -0.37 -4.89 118.70 117.71 1lqf s GLU 615 Ca 0.09 -0.22 -0.09 0.00 0.02 0.00 0.00 54.97 54.77 1lqf s GLU 615 Cb -0.09 0.05 0.09 0.00 0.10 0.00 0.00 34.13 34.27 1lqf s GLU 615 CO -0.00 -0.02 0.22 1.63 0.02 0.00 0.00 175.26 177.10 1lqf n LYS 616 N 2.51 -0.87 0.00 1.61 5.02 -1.26 -0.99 118.16 124.18 1lqf n LYS 616 Ca -0.17 0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 1lqf n LYS 616 Cb 0.58 -3.07 0.00 0.00 -0.02 0.00 0.00 35.03 32.52 1lqf n LYS 616 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1lqf n GLY 617 N -1.57 1.91 3.42 0.72 0.00 -1.26 -5.04 105.19 103.38 1lqf n GLY 617 Ca -0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.67 1lqf n GLY 617 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1lqf s SER 618 N -3.15 3.42 0.01 1.61 0.15 -0.16 -5.10 113.70 110.48 1lqf s SER 618 Ca 0.00 -0.87 -0.30 0.00 0.70 0.00 0.00 55.95 55.47 1lqf s SER 618 Cb 0.00 -0.25 -0.05 0.00 -1.71 0.00 0.00 66.02 64.01 1lqf s SER 618 CO 0.00 0.11 1.24 -0.76 1.20 0.00 0.00 173.24 175.03 1lqf s LEU 619 N -2.70 4.33 -0.07 3.45 1.02 -1.26 -1.24 118.68 122.21 1lqf s LEU 619 Ca 0.21 1.97 0.13 0.00 0.02 0.00 0.00 54.13 56.46 1lqf s LEU 619 Cb -0.08 -3.57 -0.19 0.00 0.02 0.00 0.00 46.19 42.37 1lqf s LEU 619 CO 0.10 -0.56 0.20 0.29 0.02 0.00 0.00 176.35 176.40 1lqf n LYS 620 N 4.61 1.05 -3.59 1.70 4.76 0.35 -4.92 118.16 122.13 1lqf n LYS 620 Ca 0.10 -0.08 -0.15 0.00 -2.87 0.00 0.00 58.31 55.32 1lqf n LYS 620 Cb 0.46 -1.34 -0.06 0.00 -1.84 0.00 0.00 35.03 32.25 1lqf n LYS 620 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1lqf s ALA 622 N -1.77 3.42 -1.15 0.00 0.00 -0.71 -4.70 121.76 116.85 1lqf s ALA 622 Ca -0.09 -0.42 -0.21 0.00 0.00 0.00 0.00 51.96 51.24 1lqf s ALA 622 Cb -0.01 -2.58 0.02 0.00 0.00 0.00 0.00 23.12 20.55 1lqf s ALA 622 CO 0.04 -0.15 1.72 -1.14 0.00 0.00 0.00 175.76 176.22 1lqf s GLN 623 N -4.28 3.42 -0.05 0.00 2.00 -1.26 -4.77 119.66 114.73 1lqf s GLN 623 Ca 0.48 -1.37 0.11 0.00 -2.00 0.00 0.00 55.36 52.57 1lqf s GLN 623 Cb -0.10 -5.37 0.39 0.00 0.80 0.00 0.00 33.01 28.73 1lqf s GLN 623 CO 0.38 -2.70 1.26 2.48 -0.50 0.00 0.00 175.29 176.21 1lqf n TYR 624 N 10.33 0.77 -4.02 1.67 0.18 -1.26 -4.89 117.16 119.94 1lqf n TYR 624 Ca 0.42 -0.32 -0.08 0.00 1.88 0.00 0.00 57.90 59.80 1lqf n TYR 624 Cb 0.48 -0.12 -0.10 0.00 -0.38 0.00 0.00 39.34 39.21 1lqf n TYR 624 CO 0.00 0.00 0.00 1.67 -2.08 0.00 0.00 176.86 176.45 1lqf s TRP 625 N -1.65 0.37 0.13 -3.48 -2.14 -1.26 -5.06 118.94 105.84 1lqf s TRP 625 Ca 0.28 -0.77 -0.31 0.00 2.66 0.00 0.00 56.10 57.97 1lqf s TRP 625 Cb 0.17 -0.27 -0.10 0.00 -3.10 0.00 0.00 33.47 30.17 1lqf s TRP 625 CO 0.15 -0.30 1.82 -2.14 -2.66 0.00 0.00 176.95 173.82 1lqf s PRO 626 N -2.69 4.14 -0.03 3.25 0.02 -1.26 -4.92 135.00 133.50 1lqf s PRO 626 Ca -0.04 2.59 -0.17 0.00 0.02 0.00 0.00 61.00 63.39 1lqf s PRO 626 Cb -0.01 -3.56 -0.32 0.00 0.02 0.00 0.00 34.50 30.63 1lqf s PRO 626 CO -0.05 -0.83 0.84 1.96 -0.33 0.00 0.00 177.00 178.58 1lqf h GLN 627 N 8.49 0.39 -5.74 5.54 4.20 -1.97 -3.44 115.11 122.57 1lqf h GLN 627 Ca -0.46 -0.66 -0.65 0.00 0.06 0.00 0.00 58.65 56.94 1lqf h GLN 627 Cb 1.22 0.25 -0.06 0.00 0.30 0.00 0.00 27.48 29.18 1lqf h GLN 627 CO 0.95 1.32 -0.41 -1.59 -0.67 0.00 0.00 178.83 178.42 1lqf s LYS 628 N -2.51 3.55 0.00 1.46 -2.85 -1.26 -5.06 119.74 113.07 1lqf s LYS 628 Ca -0.14 -0.01 0.00 0.00 -1.00 0.00 0.00 55.97 54.82 1lqf s LYS 628 Cb 0.03 -3.19 0.00 0.00 -2.06 0.00 0.00 37.83 32.61 1lqf s LYS 628 CO 0.86 0.75 0.05 -1.91 0.10 0.00 0.00 175.35 175.21 1lqf n GLU 629 N 1.87 0.00 0.00 1.78 2.13 -1.26 -1.92 120.64 123.23 1lqf n GLU 629 Ca -0.18 0.05 0.00 0.00 0.66 0.00 0.00 57.16 57.69 1lqf n GLU 629 Cb 0.54 -0.55 0.00 0.00 0.27 0.00 0.00 31.44 31.70 1lqf n GLU 629 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1lqf n GLU 630 N -0.10 0.02 -4.50 5.31 -0.58 -1.26 -4.02 120.64 115.50 1lqf n GLU 630 Ca 0.00 0.00 -0.34 0.00 -0.42 0.00 0.00 57.16 56.40 1lqf n GLU 630 Cb 0.00 -1.34 -0.12 0.00 -0.57 0.00 0.00 31.44 29.41 1lqf n GLU 630 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1lqf s LYS 631 N 0.37 3.36 -0.06 3.49 2.47 -0.81 -5.11 119.74 123.45 1lqf s LYS 631 Ca 0.00 -0.54 0.03 0.00 -1.56 0.00 0.00 55.97 53.90 1lqf s LYS 631 Cb 0.00 -2.79 -0.03 0.00 -1.46 0.00 0.00 37.83 33.55 1lqf s LYS 631 CO 0.00 0.38 -0.12 -2.00 0.16 0.00 0.00 175.35 173.77 1lqf s GLU 632 N -0.03 2.59 -0.12 4.03 2.12 -1.26 -4.02 118.70 122.02 1lqf s GLU 632 Ca 0.00 -0.65 -0.01 0.00 0.36 0.00 0.00 54.97 54.67 1lqf s GLU 632 Cb -0.13 -2.44 -0.02 0.00 0.26 0.00 0.00 34.13 31.79 1lqf s GLU 632 CO 0.03 0.62 -0.08 1.41 -0.54 0.00 0.00 175.26 176.70 1lqf s MET 633 N -0.72 3.28 -0.04 4.30 1.75 0.92 -4.98 119.30 123.81 1lqf s MET 633 Ca 0.11 -0.59 0.07 0.00 -1.25 0.00 0.00 55.69 54.03 1lqf s MET 633 Cb -0.11 -2.71 -0.01 0.00 2.84 0.00 0.00 34.83 34.84 1lqf s MET 633 CO 0.01 0.36 -0.24 0.42 -0.65 0.00 0.00 175.02 174.92 1lqf s ILE 634 N 0.00 1.93 -0.45 10.11 1.01 -1.26 -0.06 121.20 132.48 1lqf s ILE 634 Ca -0.01 -1.02 -0.00 0.00 0.00 0.00 0.00 60.65 59.61 1lqf s ILE 634 Cb -0.14 -1.62 0.12 0.00 0.01 0.00 0.00 42.46 40.83 1lqf s ILE 634 CO 0.03 0.54 0.23 -0.36 0.00 0.00 0.00 174.94 175.38 1lqf s PHE 635 N -0.36 3.54 0.16 3.97 0.40 -0.41 -4.98 117.98 120.30 1lqf s PHE 635 Ca 0.03 -2.71 -0.23 0.00 -0.60 0.00 0.00 56.93 53.42 1lqf s PHE 635 Cb -0.11 -3.10 0.04 0.00 0.51 0.00 0.00 43.02 40.35 1lqf s PHE 635 CO 0.01 -0.91 1.61 1.49 0.70 0.00 0.00 175.22 178.12 1lqf h GLU 636 N 7.54 -0.27 -0.78 0.44 4.57 -1.97 0.38 114.58 124.47 1lqf h GLU 636 Ca -0.08 0.02 0.09 0.00 -1.18 0.00 0.00 59.36 58.21 1lqf h GLU 636 Cb 1.00 0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 29.60 1lqf h GLU 636 CO 0.66 -0.18 0.51 0.38 -1.18 0.00 0.00 179.01 179.20 1lqf h ASP 637 N -0.28 0.67 -0.01 1.04 2.03 -1.98 -3.07 116.42 114.82 1lqf h ASP 637 Ca 0.15 0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.46 1lqf h ASP 637 Cb 0.52 -0.13 0.00 0.00 -0.83 0.00 0.00 39.33 38.90 1lqf h ASP 637 CO -0.46 0.41 -0.01 0.35 -1.03 0.00 0.00 179.24 178.50 1lqf n THR 638 N -4.50 0.00 -3.30 1.15 -2.24 -1.01 -5.02 114.28 99.37 1lqf n THR 638 Ca 0.13 -0.50 -0.16 0.00 -2.27 0.00 0.00 64.05 61.25 1lqf n THR 638 Cb 0.30 1.23 0.08 0.00 -2.10 0.00 0.00 70.33 69.83 1lqf n THR 638 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1lqf n ASN 639 N 0.59 -3.32 -4.16 3.42 3.02 0.13 -4.93 115.26 110.01 1lqf n ASN 639 Ca 0.06 -0.61 -0.18 0.00 -0.03 0.00 0.00 54.58 53.82 1lqf n ASN 639 Cb 0.27 -4.91 -0.12 0.00 -0.61 0.00 0.00 39.78 34.41 1lqf n ASN 639 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1lqf s LEU 640 N -5.88 2.27 -0.05 3.41 1.43 -1.13 -1.37 118.68 117.36 1lqf s LEU 640 Ca 0.13 -0.60 0.05 0.00 -1.03 0.00 0.00 54.13 52.68 1lqf s LEU 640 Cb -0.02 -0.49 -0.01 0.00 0.03 0.00 0.00 46.19 45.70 1lqf s LEU 640 CO 0.69 -0.08 -0.21 -0.75 0.23 0.00 0.00 176.35 176.24 1lqf s LYS 641 N -1.70 2.12 -0.04 1.70 2.20 0.07 -1.28 119.74 122.81 1lqf s LYS 641 Ca -0.02 -0.75 0.05 0.00 -0.36 0.00 0.00 55.97 54.89 1lqf s LYS 641 Cb -0.10 -1.83 -0.01 0.00 -1.51 0.00 0.00 37.83 34.39 1lqf s LYS 641 CO 0.02 0.31 -0.19 -1.17 -0.36 0.00 0.00 175.35 173.97 1lqf s LEU 642 N -0.07 1.97 -0.02 5.43 2.96 0.91 -0.20 118.68 129.66 1lqf s LEU 642 Ca -0.03 -0.37 0.01 0.00 -0.22 0.00 0.00 54.13 53.51 1lqf s LEU 642 Cb -0.12 -1.03 0.02 0.00 0.50 0.00 0.00 46.19 45.55 1lqf s LEU 642 CO 0.03 0.19 -0.01 -0.89 -1.32 0.00 0.00 176.35 174.35 1lqf s THR 643 N -0.12 0.17 0.06 3.68 2.01 -0.59 -0.06 115.64 120.79 1lqf s THR 643 Ca -0.01 0.02 -0.29 0.00 0.31 0.00 0.00 61.69 61.72 1lqf s THR 643 Cb -0.11 -0.22 -0.05 0.00 0.01 0.00 0.00 72.50 72.13 1lqf s THR 643 CO 0.02 0.11 0.93 -0.22 -0.69 0.00 0.00 174.62 174.77 1lqf s LEU 644 N 0.60 4.44 -0.15 4.42 2.96 -1.26 -0.94 118.68 128.75 1lqf s LEU 644 Ca -0.06 1.68 -0.08 0.00 -0.22 0.00 0.00 54.13 55.46 1lqf s LEU 644 Cb -0.09 -3.52 -0.07 0.00 0.50 0.00 0.00 46.19 43.02 1lqf s LEU 644 CO -0.01 -0.12 -0.20 -0.38 -1.32 0.00 0.00 176.35 174.32 1lqf n ILE 645 N 3.18 0.84 -4.18 6.68 2.08 0.10 -4.42 119.36 123.64 1lqf n ILE 645 Ca 0.03 -0.21 -0.16 0.00 0.56 0.00 0.00 62.75 62.97 1lqf n ILE 645 Cb 0.50 -1.71 -0.07 0.00 -0.75 0.00 0.00 39.64 37.61 1lqf n ILE 645 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 1lqf s SER 646 N -6.36 1.15 -0.30 4.38 1.04 -1.17 -4.96 113.70 107.47 1lqf s SER 646 Ca -0.21 -1.58 -0.08 0.00 0.48 0.00 0.00 55.95 54.56 1lqf s SER 646 Cb 0.08 0.58 0.18 0.00 0.10 0.00 0.00 66.02 66.96 1lqf s SER 646 CO 0.27 -1.14 0.83 -0.70 0.98 0.00 0.00 173.24 173.47 1lqf s GLU 647 N -3.37 0.39 -0.88 4.02 2.12 -1.25 -2.15 118.70 117.58 1lqf s GLU 647 Ca 0.36 0.73 0.00 0.00 0.36 0.00 0.00 54.97 56.42 1lqf s GLU 647 Cb 0.02 0.41 0.27 0.00 0.26 0.00 0.00 34.13 35.09 1lqf s GLU 647 CO 0.22 -0.37 1.10 -3.47 -0.54 0.00 0.00 175.26 172.20 1lqf n ASP 648 N 5.40 5.07 -4.77 -1.70 2.03 0.10 -4.93 116.55 117.76 1lqf n ASP 648 Ca -0.05 -3.39 -0.40 0.00 0.52 0.00 0.00 54.79 51.46 1lqf n ASP 648 Cb 0.52 -1.00 0.01 0.00 -0.72 0.00 0.00 41.12 39.94 1lqf n ASP 648 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1lqf n ILE 649 N 1.24 2.58 -4.15 5.18 5.41 -1.26 -3.39 119.36 124.96 1lqf n ILE 649 Ca 0.27 -0.50 -0.08 0.00 1.00 0.00 0.00 62.75 63.44 1lqf n ILE 649 Cb 0.37 -1.90 -0.02 0.00 -0.71 0.00 0.00 39.64 37.38 1lqf n ILE 649 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1lqf n LYS 650 N -0.02 0.86 -0.28 0.38 5.02 0.08 -4.98 118.16 119.21 1lqf n LYS 650 Ca 0.04 -1.05 -0.04 0.00 -2.02 0.00 0.00 58.31 55.24 1lqf n LYS 650 Cb 0.41 0.56 0.07 0.00 -0.02 0.00 0.00 35.03 36.05 1lqf n LYS 650 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1lqf h SER 651 N 0.49 0.86 0.00 4.39 0.87 -2.03 -3.35 113.55 114.78 1lqf h SER 651 Ca -0.10 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 1lqf h SER 651 Cb 0.37 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 1lqf h SER 651 CO 0.15 0.62 -0.36 -1.22 -0.53 0.00 0.00 176.83 175.49 1lqf n TYR 652 N -4.57 0.00 -3.62 2.24 4.01 -1.26 -4.97 117.16 109.00 1lqf n TYR 652 Ca 0.08 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.71 1lqf n TYR 652 Cb 0.04 -0.01 -0.05 0.00 -0.31 0.00 0.00 39.34 39.01 1lqf n TYR 652 CO 0.00 0.00 0.00 1.52 -0.46 0.00 0.00 176.86 177.92 1lqf s TYR 653 N -1.41 -0.24 -0.04 -0.72 -0.85 -1.26 -1.34 117.35 111.49 1lqf s TYR 653 Ca 0.00 -0.04 0.05 0.00 -0.52 0.00 0.00 57.07 56.57 1lqf s TYR 653 Cb 0.01 0.28 -0.01 0.00 0.38 0.00 0.00 41.96 42.62 1lqf s TYR 653 CO 0.06 -0.70 -0.20 0.99 -1.52 0.00 0.00 175.55 174.18 1lqf s THR 654 N -3.65 1.63 -0.20 -3.49 2.01 0.33 -0.74 115.64 111.52 1lqf s THR 654 Ca 0.02 -0.84 -0.01 0.00 0.31 0.00 0.00 61.69 61.16 1lqf s THR 654 Cb 0.01 -1.39 0.01 0.00 0.01 0.00 0.00 72.50 71.14 1lqf s THR 654 CO -0.11 0.46 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.47 1lqf s VAL 655 N -0.13 2.73 0.13 3.82 1.01 -1.22 -1.34 120.40 125.41 1lqf s VAL 655 Ca -0.01 -0.71 0.08 0.00 0.00 0.00 0.00 61.98 61.34 1lqf s VAL 655 Cb -0.11 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 1lqf s VAL 655 CO 0.02 0.48 -0.11 -0.13 0.00 0.00 0.00 175.10 175.36 1lqf s ARG 656 N 1.38 2.06 -0.11 2.72 0.52 -0.30 0.03 118.95 125.25 1lqf s ARG 656 Ca 0.05 -1.13 0.01 0.00 -0.52 0.00 0.00 55.73 54.14 1lqf s ARG 656 Cb -0.14 -2.23 -0.02 0.00 0.52 0.00 0.00 34.95 33.09 1lqf s ARG 656 CO -0.08 0.48 -0.14 -1.14 0.02 0.00 0.00 175.30 174.43 1lqf s GLN 657 N -2.41 3.21 0.10 3.54 0.74 -0.91 -1.38 119.66 122.54 1lqf s GLN 657 Ca 0.22 -0.71 0.05 0.00 0.05 0.00 0.00 55.36 54.97 1lqf s GLN 657 Cb -0.10 -2.55 -0.03 0.00 1.10 0.00 0.00 33.01 31.42 1lqf s GLN 657 CO 0.14 0.28 -0.13 -0.51 -0.55 0.00 0.00 175.29 174.51 1lqf s LEU 658 N 0.18 2.36 -0.18 3.68 1.43 -0.72 0.02 118.68 125.44 1lqf s LEU 658 Ca -0.08 -0.74 0.01 0.00 -1.03 0.00 0.00 54.13 52.29 1lqf s LEU 658 Cb -0.15 -0.47 0.02 0.00 0.03 0.00 0.00 46.19 45.61 1lqf s LEU 658 CO 0.05 -0.15 -0.19 -0.70 0.23 0.00 0.00 176.35 175.59 1lqf s GLU 659 N -2.37 2.86 -0.20 1.70 2.56 -0.12 -1.08 118.70 122.05 1lqf s GLU 659 Ca 0.04 -0.81 -0.05 0.00 0.00 0.00 0.00 54.97 54.15 1lqf s GLU 659 Cb -0.06 -2.51 -0.02 0.00 2.00 0.00 0.00 34.13 33.53 1lqf s GLU 659 CO 0.02 -0.23 -0.00 -1.17 -0.56 0.00 0.00 175.26 173.32 1lqf s LEU 660 N 1.31 3.23 -0.07 2.70 2.96 -0.04 -1.54 118.68 127.24 1lqf s LEU 660 Ca 0.05 -0.22 0.04 0.00 -0.22 0.00 0.00 54.13 53.78 1lqf s LEU 660 Cb -0.13 -1.82 -0.01 0.00 0.50 0.00 0.00 46.19 44.72 1lqf s LEU 660 CO -0.12 0.06 -0.21 -0.70 -1.32 0.00 0.00 176.35 174.05 1lqf s GLU 661 N 1.04 2.71 -0.34 1.98 2.12 0.72 -0.63 118.70 126.30 1lqf s GLU 661 Ca 0.02 -0.83 -0.26 0.00 0.36 0.00 0.00 54.97 54.26 1lqf s GLU 661 Cb -0.14 -2.29 0.01 0.00 0.26 0.00 0.00 34.13 31.97 1lqf s GLU 661 CO 0.01 0.39 0.92 1.21 -0.54 0.00 0.00 175.26 177.25 1lqf s ASN 662 N -0.16 6.73 0.31 -1.70 3.84 0.78 -0.75 114.94 123.98 1lqf s ASN 662 Ca -0.03 0.71 0.25 0.00 0.21 0.00 0.00 52.86 54.01 1lqf s ASN 662 Cb -0.14 -2.47 1.04 0.00 -0.55 0.00 0.00 41.25 39.14 1lqf s ASN 662 CO 0.04 -0.79 1.76 -0.07 -2.79 0.00 0.00 177.10 175.24 1lqf h LEU 663 N 9.89 0.00 0.06 3.21 3.38 -1.54 0.27 115.31 130.58 1lqf h LEU 663 Ca -0.23 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.62 1lqf h LEU 663 Cb 1.08 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.84 1lqf h LEU 663 CO 0.96 0.00 -0.53 0.74 0.09 0.00 0.00 178.44 179.71 1lqf h THR 664 N 0.00 1.55 0.00 0.22 2.02 -1.91 -3.38 112.91 111.41 1lqf h THR 664 Ca 0.00 -2.31 0.00 0.00 0.77 0.00 0.00 66.41 64.87 1lqf h THR 664 Cb 0.39 3.05 0.00 0.00 -1.74 0.00 0.00 68.15 69.85 1lqf h THR 664 CO 0.00 0.64 -0.99 0.35 0.37 0.00 0.00 175.52 175.90 1lqf n THR 665 N -4.30 0.00 -1.89 3.16 -2.24 -1.22 -4.99 114.28 102.81 1lqf n THR 665 Ca -0.12 -0.20 -0.12 0.00 -2.27 0.00 0.00 64.05 61.35 1lqf n THR 665 Cb 0.68 0.78 -0.02 0.00 -2.10 0.00 0.00 70.33 69.66 1lqf n THR 665 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1lqf n GLN 666 N -1.54 -0.92 -3.06 -0.78 6.02 0.93 -5.00 117.38 113.03 1lqf n GLN 666 Ca 0.01 0.72 -0.39 0.00 -0.01 0.00 0.00 57.00 57.33 1lqf n GLN 666 Cb 0.29 -4.83 -0.06 0.00 1.02 0.00 0.00 30.24 26.66 1lqf n GLN 666 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1lqf s GLU 667 N -3.99 4.45 0.15 -1.09 2.12 -1.20 -4.83 118.70 114.31 1lqf s GLU 667 Ca 0.00 1.00 0.10 0.00 0.36 0.00 0.00 54.97 56.43 1lqf s GLU 667 Cb 0.00 -3.31 -0.04 0.00 0.26 0.00 0.00 34.13 31.04 1lqf s GLU 667 CO 0.00 0.45 -0.22 0.95 -0.54 0.00 0.00 175.26 175.90 1lqf s THR 668 N -0.60 2.02 0.02 -1.70 -4.23 -1.26 -0.16 115.64 109.73 1lqf s THR 668 Ca 0.35 -1.83 -0.00 0.00 -1.18 0.00 0.00 61.69 59.03 1lqf s THR 668 Cb -0.21 -1.88 -0.02 0.00 1.34 0.00 0.00 72.50 71.73 1lqf s THR 668 CO 0.23 -0.12 -0.02 -0.13 -0.54 0.00 0.00 174.62 174.03 1lqf s ARG 669 N -2.41 0.30 -0.15 3.99 0.52 0.20 -4.98 118.95 116.42 1lqf s ARG 669 Ca 0.15 -0.57 -0.14 0.00 -0.52 0.00 0.00 55.73 54.64 1lqf s ARG 669 Cb -0.08 0.11 -0.05 0.00 0.52 0.00 0.00 34.95 35.45 1lqf s ARG 669 CO 0.07 -0.05 0.31 -2.00 0.02 0.00 0.00 175.30 173.65 1lqf s GLU 670 N -1.38 4.21 -0.05 3.54 2.12 -1.26 -0.86 118.70 125.02 1lqf s GLU 670 Ca -0.15 0.13 0.06 0.00 0.36 0.00 0.00 54.97 55.37 1lqf s GLU 670 Cb -0.09 -3.41 -0.01 0.00 0.26 0.00 0.00 34.13 30.88 1lqf s GLU 670 CO -0.01 0.28 -0.24 0.42 -0.54 0.00 0.00 175.26 175.17 1lqf s ILE 671 N 0.34 1.99 -0.19 -3.70 -1.09 -0.24 -4.86 121.20 113.44 1lqf s ILE 671 Ca 0.18 -1.03 -0.08 0.00 -2.23 0.00 0.00 60.65 57.48 1lqf s ILE 671 Cb -0.13 -1.68 -0.04 0.00 -1.58 0.00 0.00 42.46 39.02 1lqf s ILE 671 CO 0.05 0.55 0.09 -0.76 -1.23 0.00 0.00 174.94 173.65 1lqf s LEU 672 N -0.17 4.00 -0.28 2.97 1.43 -0.39 -1.76 118.68 124.49 1lqf s LEU 672 Ca -0.03 0.16 -0.05 0.00 -1.03 0.00 0.00 54.13 53.18 1lqf s LEU 672 Cb -0.13 -2.02 0.01 0.00 0.03 0.00 0.00 46.19 44.08 1lqf s LEU 672 CO 0.03 0.19 0.04 -2.28 0.23 0.00 0.00 176.35 174.56 1lqf s HIS 673 N 0.28 3.12 -0.32 0.29 2.46 -0.48 -0.63 115.29 120.01 1lqf s HIS 673 Ca 0.06 -1.13 -0.08 0.00 0.47 0.00 0.00 55.06 54.38 1lqf s HIS 673 Cb -0.12 -2.19 0.02 0.00 -0.13 0.00 0.00 32.58 30.16 1lqf s HIS 673 CO -0.01 -0.61 0.12 -0.06 -2.47 0.00 0.00 174.74 171.71 1lqf s PHE 674 N 1.45 3.20 -0.31 3.88 0.40 0.01 -1.14 117.98 125.47 1lqf s PHE 674 Ca 0.02 -1.07 -0.02 0.00 -0.60 0.00 0.00 56.93 55.26 1lqf s PHE 674 Cb -0.17 -2.30 0.06 0.00 0.51 0.00 0.00 43.02 41.11 1lqf s PHE 674 CO 0.00 -0.63 0.02 -1.58 0.70 0.00 0.00 175.22 173.73 1lqf s HIS 675 N 1.49 3.31 -0.30 0.36 2.46 -0.45 -0.10 115.29 122.06 1lqf s HIS 675 Ca 0.01 -1.96 -0.26 0.00 0.47 0.00 0.00 55.06 53.32 1lqf s HIS 675 Cb -0.18 -2.22 0.01 0.00 -0.13 0.00 0.00 32.58 30.05 1lqf s HIS 675 CO 0.04 -0.82 0.93 -0.47 -2.47 0.00 0.00 174.74 171.94 1lqf s TYR 676 N 1.23 3.21 -2.13 3.88 5.04 0.12 -0.51 117.35 128.18 1lqf s TYR 676 Ca -0.04 1.06 0.21 0.00 -2.44 0.00 0.00 57.07 55.86 1lqf s TYR 676 Cb -0.20 -3.39 0.56 0.00 0.35 0.00 0.00 41.96 39.28 1lqf s TYR 676 CO -0.02 -0.62 1.48 0.25 -1.34 0.00 0.00 175.55 175.30 1lqf n THR 677 N 5.61 0.78 -2.82 4.34 -2.24 -0.45 -4.19 114.28 115.31 1lqf n THR 677 Ca 0.08 -0.84 -0.16 0.00 -2.27 0.00 0.00 64.05 60.86 1lqf n THR 677 Cb 0.47 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 69.29 1lqf n THR 677 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1lqf n THR 678 N 1.44 1.01 -3.71 4.28 -2.24 -1.22 -4.98 114.28 108.85 1lqf n THR 678 Ca 0.22 -4.00 -0.30 0.00 -2.27 0.00 0.00 64.05 57.70 1lqf n THR 678 Cb 0.57 -0.06 -0.14 0.00 -2.10 0.00 0.00 70.33 68.60 1lqf n THR 678 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1lqf s TRP 679 N -3.00 1.85 0.54 4.78 -0.11 -1.26 -3.38 118.94 118.36 1lqf s TRP 679 Ca 0.36 -2.12 -0.22 0.00 1.22 0.00 0.00 56.10 55.33 1lqf s TRP 679 Cb 0.40 -1.79 -0.05 0.00 -1.50 0.00 0.00 33.47 30.53 1lqf s TRP 679 CO -0.04 -0.83 1.37 -2.30 -4.62 0.00 0.00 176.95 170.52 1lqf n PRO 680 N 4.11 1.73 -1.87 5.86 -0.02 -1.26 -4.72 135.00 138.83 1lqf n PRO 680 Ca 0.05 0.64 -0.42 0.00 -2.02 0.00 0.00 63.50 61.74 1lqf n PRO 680 Cb 0.38 -2.58 -0.03 0.00 -0.02 0.00 0.00 33.50 31.25 1lqf n PRO 680 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 1lqf s ASP 681 N -0.88 6.52 0.00 2.55 -4.77 -1.26 -0.88 116.67 117.95 1lqf s ASP 681 Ca 0.71 2.70 0.00 0.00 -3.30 0.00 0.00 52.55 52.66 1lqf s ASP 681 Cb -0.42 -2.60 0.00 0.00 -1.09 0.00 0.00 42.92 38.82 1lqf s ASP 681 CO 0.50 -0.87 0.00 0.49 0.70 0.00 0.00 175.17 175.99 1lqf n PHE 682 N 3.97 0.00 -2.87 2.11 3.01 -1.26 -4.98 117.46 117.45 1lqf n PHE 682 Ca 0.14 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.60 1lqf n PHE 682 Cb 0.37 -0.84 0.00 0.00 -0.01 0.00 0.00 39.48 39.00 1lqf n PHE 682 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1lqf n GLY 683 N -1.57 2.52 3.64 1.37 0.00 -0.05 -4.89 105.19 106.20 1lqf n GLY 683 Ca 0.00 -2.11 -0.29 0.00 0.00 0.00 0.00 46.02 43.62 1lqf n GLY 683 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1lqf s VAL 684 N 1.01 1.58 0.62 1.61 -7.23 -1.26 -4.78 120.40 111.94 1lqf s VAL 684 Ca 0.00 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.00 1lqf s VAL 684 Cb 0.00 -2.68 -0.02 0.00 0.56 0.00 0.00 36.38 34.24 1lqf s VAL 684 CO 0.00 0.00 1.15 -2.84 -0.31 0.00 0.00 175.10 173.10 1lqf s PRO 685 N -3.78 2.92 0.49 4.82 0.02 -1.26 -4.39 135.00 133.81 1lqf s PRO 685 Ca 0.25 1.62 0.40 0.00 0.02 0.00 0.00 61.00 63.29 1lqf s PRO 685 Cb 0.07 -1.94 1.60 0.00 0.02 0.00 0.00 34.50 34.24 1lqf s PRO 685 CO 0.13 -1.20 1.58 1.49 -0.33 0.00 0.00 177.00 178.67 1lqf h GLU 686 N 0.55 0.01 -1.22 5.54 4.22 -1.99 -3.43 114.58 118.27 1lqf h GLU 686 Ca -0.49 -0.00 0.25 0.00 0.08 0.00 0.00 59.36 59.20 1lqf h GLU 686 Cb 1.27 -0.00 -0.23 0.00 0.50 0.00 0.00 28.75 30.28 1lqf h GLU 686 CO 0.55 0.01 0.88 -1.54 -2.18 0.00 0.00 179.01 176.72 1lqf s SER 687 N -4.14 -0.09 0.39 1.04 1.04 -1.26 -5.00 113.70 105.67 1lqf s SER 687 Ca -0.06 0.06 0.06 0.00 0.48 0.00 0.00 55.95 56.48 1lqf s SER 687 Cb 0.29 0.08 0.78 0.00 0.10 0.00 0.00 66.02 67.28 1lqf s SER 687 CO 0.86 -0.12 2.02 -0.65 0.98 0.00 0.00 173.24 176.33 1lqf h PRO 688 N 2.08 0.58 -0.71 4.02 0.11 -1.98 -2.20 132.00 133.89 1lqf h PRO 688 Ca -0.08 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.91 1lqf h PRO 688 Cb 1.17 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.13 1lqf h PRO 688 CO 0.22 0.42 0.17 0.00 -0.21 0.00 0.00 178.00 178.60 1lqf h ALA 689 N 1.68 0.94 -0.30 -0.75 0.00 -1.98 0.24 119.26 119.10 1lqf h ALA 689 Ca 0.15 -0.25 -0.16 0.00 0.00 0.00 0.00 54.91 54.65 1lqf h ALA 689 Cb 0.00 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 1lqf h ALA 689 CO -0.03 0.67 -0.46 0.66 0.00 0.00 0.00 179.25 180.09 1lqf h SER 690 N 1.08 0.86 0.48 0.00 4.64 -1.87 -1.83 113.55 116.90 1lqf h SER 690 Ca 0.22 -0.42 -0.02 0.00 -0.47 0.00 0.00 61.79 61.10 1lqf h SER 690 Cb 0.38 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1lqf h SER 690 CO 0.00 1.18 -0.23 0.15 -0.87 0.00 0.00 176.83 177.07 1lqf h PHE 691 N 0.63 -0.59 -0.29 4.77 3.57 -1.08 -2.03 116.94 121.91 1lqf h PHE 691 Ca 0.04 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.53 1lqf h PHE 691 Cb 1.04 0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.96 1lqf h PHE 691 CO 0.06 -0.32 0.19 -0.07 -2.23 0.00 0.00 178.31 175.93 1lqf h LEU 692 N -0.74 0.31 -1.15 0.59 3.38 -0.58 0.36 115.31 117.49 1lqf h LEU 692 Ca -0.07 -0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.08 1lqf h LEU 692 Cb 0.54 -0.07 -0.09 0.00 0.09 0.00 0.00 40.66 41.12 1lqf h LEU 692 CO 0.11 0.23 0.61 -1.13 0.09 0.00 0.00 178.44 178.35 1lqf h ASN 693 N 0.38 0.70 0.01 -0.43 -0.00 -1.28 -0.19 115.58 114.78 1lqf h ASN 693 Ca 0.11 0.07 -0.00 0.00 -0.00 0.00 0.00 56.30 56.48 1lqf h ASN 693 Cb -0.03 -0.06 0.00 0.00 -0.00 0.00 0.00 38.32 38.24 1lqf h ASN 693 CO -0.04 0.28 -0.00 0.15 -0.00 0.00 0.00 177.43 177.82 1lqf h PHE 694 N 0.70 -0.01 -0.74 0.67 3.57 -0.50 -2.34 116.94 118.29 1lqf h PHE 694 Ca 0.54 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 62.13 1lqf h PHE 694 Cb 0.92 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.61 1lqf h PHE 694 CO -0.00 0.39 0.48 1.25 -2.23 0.00 0.00 178.31 178.20 1lqf h LEU 695 N -0.42 0.59 -0.70 0.59 5.85 0.19 -0.55 115.31 120.86 1lqf h LEU 695 Ca -0.00 0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.61 1lqf h LEU 695 Cb 0.41 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 1lqf h LEU 695 CO 0.00 0.36 -0.34 0.15 -0.34 0.00 0.00 178.44 178.27 1lqf h PHE 696 N 0.66 0.73 -0.69 1.25 3.57 -0.99 0.74 116.94 122.21 1lqf h PHE 696 Ca 0.33 -0.19 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 1lqf h PHE 696 Cb 0.43 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.97 1lqf h PHE 696 CO -0.00 0.88 0.38 -0.22 -2.23 0.00 0.00 178.31 177.12 1lqf h LYS 697 N 0.53 0.95 -0.02 1.11 1.63 -0.57 0.31 116.57 120.52 1lqf h LYS 697 Ca 0.06 -0.10 -0.02 0.00 -0.85 0.00 0.00 60.65 59.74 1lqf h LYS 697 Cb 0.84 -0.19 0.00 0.00 -0.60 0.00 0.00 32.23 32.28 1lqf h LYS 697 CO 0.07 0.70 -0.07 0.28 -3.45 0.00 0.00 179.45 176.98 1lqf h VAL 698 N 0.96 1.50 -0.00 2.00 2.07 -0.89 -2.99 116.25 118.89 1lqf h VAL 698 Ca 0.24 -1.57 0.00 0.00 0.82 0.00 0.00 66.70 66.20 1lqf h VAL 698 Cb 0.02 2.51 -0.00 0.00 -1.52 0.00 0.00 31.29 32.30 1lqf h VAL 698 CO -0.04 0.42 0.00 0.03 0.02 0.00 0.00 177.57 178.00 1lqf h ARG 699 N -0.54 0.01 0.00 1.57 3.08 -0.62 -2.79 114.38 115.08 1lqf h ARG 699 Ca -0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1lqf h ARG 699 Cb 0.72 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.76 1lqf h ARG 699 CO 0.01 0.02 0.00 1.05 -1.07 0.00 0.00 179.97 179.99 1lqf h GLU 700 N -0.01 0.00 0.00 0.04 4.11 -0.46 -1.91 114.58 116.36 1lqf h GLU 700 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1lqf h GLU 700 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1lqf h GLU 700 CO -0.00 0.00 0.00 -1.13 0.07 0.00 0.00 179.01 177.95 1lqf n SER 701 N -2.75 0.19 0.00 3.06 3.41 -1.05 -4.87 113.62 111.61 1lqf n SER 701 Ca -0.01 0.53 0.00 0.00 -0.26 0.00 0.00 58.87 59.13 1lqf n SER 701 Cb 0.16 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.53 1lqf n SER 701 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1lqf n GLY 702 N 0.75 0.95 0.29 5.00 0.00 -0.72 -4.88 105.19 106.58 1lqf n GLY 702 Ca 0.05 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.23 1lqf n GLY 702 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1lqf h SER 703 N 0.00 0.00 0.02 1.61 0.02 -1.78 0.01 113.55 113.42 1lqf h SER 703 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1lqf h SER 703 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1lqf h SER 703 CO 0.00 0.06 -0.08 0.18 -1.14 0.00 0.00 176.83 175.86 1lqf n LEU 704 N -3.50 1.93 -4.75 5.07 4.77 -1.26 -4.36 117.00 114.90 1lqf n LEU 704 Ca -0.02 -0.64 -0.40 0.00 -0.03 0.00 0.00 56.01 54.92 1lqf n LEU 704 Cb 0.19 -0.02 0.02 0.00 -2.33 0.00 0.00 43.42 41.27 1lqf n LEU 704 CO 0.27 0.33 1.04 -0.24 -1.33 0.00 0.00 177.39 177.46 1lqf n SER 705 N 0.40 3.22 0.03 -1.43 2.88 -0.01 -4.92 113.62 113.79 1lqf n SER 705 Ca 0.16 1.13 0.12 0.00 -1.33 0.00 0.00 58.87 58.94 1lqf n SER 705 Cb 0.44 -1.58 0.48 0.00 -0.75 0.00 0.00 64.21 62.80 1lqf n SER 705 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1lqf n PRO 706 N -0.08 0.07 0.00 -1.46 -0.04 -1.26 -2.57 135.00 129.65 1lqf n PRO 706 Ca 0.05 0.15 0.12 0.00 -0.04 0.00 0.00 63.50 63.79 1lqf n PRO 706 Cb 0.41 -1.59 0.74 0.00 -0.04 0.00 0.00 33.50 33.01 1lqf n PRO 706 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1lqf n GLU 707 N -1.71 0.82 -4.49 0.54 0.28 -1.26 -4.80 120.64 110.03 1lqf n GLU 707 Ca 0.05 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.75 1lqf n GLU 707 Cb 0.29 -1.47 -0.06 0.00 1.43 0.00 0.00 31.44 31.63 1lqf n GLU 707 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 1lqf s HIS 708 N -2.00 1.90 0.57 -1.84 3.76 -1.06 -5.13 115.29 111.48 1lqf s HIS 708 Ca 0.37 -0.88 -0.12 0.00 -0.15 0.00 0.00 55.06 54.28 1lqf s HIS 708 Cb 0.17 -1.72 -0.05 0.00 1.11 0.00 0.00 32.58 32.09 1lqf s HIS 708 CO 0.29 0.06 0.98 0.20 -0.85 0.00 0.00 174.74 175.42 1lqf s GLY 709 N -3.97 1.77 0.34 -2.22 0.00 -0.03 -4.98 107.32 98.22 1lqf s GLY 709 Ca 0.17 -0.06 -0.29 0.00 0.00 0.00 0.00 44.72 44.55 1lqf s GLY 709 CO 0.10 0.20 1.41 -1.55 0.00 0.00 0.00 173.10 173.26 1lqf n PRO 710 N -2.32 2.39 -1.80 2.90 -0.04 -1.26 -4.36 135.00 130.51 1lqf n PRO 710 Ca 0.05 0.84 -0.36 0.00 -0.04 0.00 0.00 63.50 64.00 1lqf n PRO 710 Cb 0.54 -2.51 0.06 0.00 -0.04 0.00 0.00 33.50 31.55 1lqf n PRO 710 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1lqf s VAL 711 N -0.83 2.36 -0.21 0.52 0.11 -1.26 -4.52 120.40 116.57 1lqf s VAL 711 Ca 0.57 0.21 -0.13 0.00 -2.93 0.00 0.00 61.98 59.70 1lqf s VAL 711 Cb -0.54 -3.02 -0.04 0.00 -1.53 0.00 0.00 36.38 31.25 1lqf s VAL 711 CO 0.59 -0.06 0.28 -0.69 -3.33 0.00 0.00 175.10 171.89 1lqf s VAL 712 N -1.61 5.29 -0.04 2.04 1.01 -0.82 -1.44 120.40 124.84 1lqf s VAL 712 Ca 0.79 0.46 0.06 0.00 0.00 0.00 0.00 61.98 63.29 1lqf s VAL 712 Cb -0.33 -3.61 -0.01 0.00 0.00 0.00 0.00 36.38 32.43 1lqf s VAL 712 CO 0.38 0.33 -0.23 -0.69 0.00 0.00 0.00 175.10 174.88 1lqf s VAL 713 N 0.98 1.88 0.20 2.92 1.01 0.10 -0.05 120.40 127.44 1lqf s VAL 713 Ca 0.14 -0.98 -0.20 0.00 0.00 0.00 0.00 61.98 60.93 1lqf s VAL 713 Cb -0.14 -1.58 0.04 0.00 0.00 0.00 0.00 36.38 34.70 1lqf s VAL 713 CO 0.05 0.53 0.59 -1.38 0.00 0.00 0.00 175.10 174.89 1lqf s HIS 714 N -0.24 -0.30 0.00 5.22 -3.43 -0.38 -1.65 115.29 114.51 1lqf s HIS 714 Ca 0.00 -0.02 0.00 0.00 -0.80 0.00 0.00 55.06 54.25 1lqf s HIS 714 Cb -0.12 0.52 0.00 0.00 -1.43 0.00 0.00 32.58 31.55 1lqf s HIS 714 CO 0.02 -0.95 0.00 0.00 -2.00 0.00 0.00 174.74 171.81 1lqf n SER 716 N 0.00 1.85 0.02 0.00 2.88 -1.26 -1.57 113.62 115.53 1lqf n SER 716 Ca 0.00 0.51 0.11 0.00 -1.33 0.00 0.00 58.87 58.16 1lqf n SER 716 Cb 0.00 -0.91 -0.00 0.00 -0.75 0.00 0.00 64.21 62.55 1lqf n SER 716 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1lqf n ALA 717 N -3.60 3.62 -2.42 -1.46 0.00 -1.26 -0.10 120.51 115.29 1lqf n ALA 717 Ca -0.22 -0.45 -0.09 0.00 0.00 0.00 0.00 53.44 52.68 1lqf n ALA 717 Cb 0.51 -0.93 0.01 0.00 0.00 0.00 0.00 19.45 19.04 1lqf n ALA 717 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lqf n GLY 718 N 1.39 0.12 0.72 0.00 0.00 -1.23 -4.02 105.19 102.17 1lqf n GLY 718 Ca 0.02 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1lqf n GLY 718 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1lqf n ILE 719 N -3.86 0.00 0.00 -0.61 -5.35 -1.26 -4.47 119.36 103.82 1lqf n ILE 719 Ca -0.07 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.41 1lqf n ILE 719 Cb 0.56 -0.27 0.00 0.00 -1.74 0.00 0.00 39.64 38.19 1lqf n ILE 719 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1lqf n GLY 720 N 1.71 -1.38 0.33 3.28 0.00 -1.26 -1.17 105.19 106.70 1lqf n GLY 720 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 1lqf n GLY 720 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1lqf h ARG 721 N 0.00 0.98 -0.55 1.61 3.08 -1.94 -2.20 114.38 115.35 1lqf h ARG 721 Ca 0.00 -0.15 -0.11 0.00 0.07 0.00 0.00 59.98 59.78 1lqf h ARG 721 Cb 0.00 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 1lqf h ARG 721 CO 0.00 0.79 -0.09 0.77 -1.07 0.00 0.00 179.97 180.37 1lqf h SER 722 N 0.97 1.02 -0.42 7.04 0.02 -1.87 -0.95 113.55 119.36 1lqf h SER 722 Ca 0.23 -0.33 -0.01 0.00 -0.84 0.00 0.00 61.79 60.84 1lqf h SER 722 Cb 0.17 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 1lqf h SER 722 CO -0.02 1.12 0.23 1.23 -1.14 0.00 0.00 176.83 178.26 1lqf h GLY 723 N 0.95 0.62 0.98 -3.77 0.00 -1.12 -1.58 103.07 99.14 1lqf h GLY 723 Ca 0.15 -0.27 0.01 0.00 0.00 0.00 0.00 47.33 47.21 1lqf h GLY 723 CO 0.05 0.26 0.39 -0.84 0.00 0.00 0.00 176.54 176.40 1lqf h THR 724 N 0.54 1.14 0.11 4.70 2.02 -1.15 0.47 112.91 120.75 1lqf h THR 724 Ca 0.15 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 67.06 1lqf h THR 724 Cb 0.04 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 66.72 1lqf h THR 724 CO -0.02 0.14 -0.09 0.15 0.37 0.00 0.00 175.52 176.07 1lqf h PHE 725 N 0.79 -0.22 -0.28 3.16 3.57 -0.82 -2.14 116.94 120.99 1lqf h PHE 725 Ca 0.22 -0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.58 1lqf h PHE 725 Cb -0.07 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 1lqf h PHE 725 CO -0.04 -0.14 -0.41 0.00 -2.23 0.00 0.00 178.31 175.50 1lqf h LEU 727 N 0.55 -0.19 0.28 0.00 5.85 -0.78 0.61 115.31 121.64 1lqf h LEU 727 Ca 0.04 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 1lqf h LEU 727 Cb 0.94 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.04 1lqf h LEU 727 CO 0.08 -0.10 -0.26 0.00 -0.34 0.00 0.00 178.44 177.83 1lqf h ALA 728 N 0.91 -0.56 -0.01 1.25 0.00 -1.37 -0.32 119.26 119.17 1lqf h ALA 728 Ca 0.04 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.88 1lqf h ALA 728 Cb 0.15 0.37 -0.06 0.00 0.00 0.00 0.00 17.79 18.25 1lqf h ALA 728 CO -0.09 -0.84 -0.48 0.22 0.00 0.00 0.00 179.25 178.06 1lqf h ASP 729 N -0.57 -1.46 -0.17 0.00 3.58 -1.00 -0.76 116.42 116.04 1lqf h ASP 729 Ca -0.01 0.17 0.05 0.00 0.42 0.00 0.00 57.03 57.66 1lqf h ASP 729 Cb 0.52 0.56 -0.06 0.00 1.72 0.00 0.00 39.33 42.07 1lqf h ASP 729 CO -0.04 -0.49 -0.27 0.74 -2.88 0.00 0.00 179.24 176.29 1lqf h THR 730 N -0.62 0.36 -0.51 2.25 2.02 -0.76 -2.04 112.91 113.61 1lqf h THR 730 Ca 0.03 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.29 1lqf h THR 730 Cb 0.69 0.36 -0.07 0.00 -1.74 0.00 0.00 68.15 67.39 1lqf h THR 730 CO -0.34 0.00 0.14 0.00 0.37 0.00 0.00 175.52 175.69 1lqf h LEU 732 N 0.29 0.31 0.30 0.00 3.38 -0.66 -1.21 115.31 117.73 1lqf h LEU 732 Ca 0.25 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 1lqf h LEU 732 Cb 0.31 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1lqf h LEU 732 CO -0.30 0.18 -0.15 -0.07 0.09 0.00 0.00 178.44 178.20 1lqf h LEU 733 N 0.34 -0.35 -1.63 1.67 3.38 0.10 -2.82 115.31 116.01 1lqf h LEU 733 Ca 0.27 -0.19 0.26 0.00 0.09 0.00 0.00 57.88 58.31 1lqf h LEU 733 Cb 0.61 0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.39 1lqf h LEU 733 CO -0.07 0.08 0.67 -0.07 0.09 0.00 0.00 178.44 179.14 1lqf h LEU 734 N -0.86 0.28 -0.09 1.67 3.38 -0.34 -0.28 115.31 119.07 1lqf h LEU 734 Ca -0.04 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1lqf h LEU 734 Cb 0.52 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1lqf h LEU 734 CO 0.07 0.08 -0.12 0.24 0.09 0.00 0.00 178.44 178.80 1lqf h MET 735 N 0.26 0.24 -0.89 1.13 2.86 -1.19 0.37 114.93 117.71 1lqf h MET 735 Ca 0.52 -0.14 0.01 0.00 -2.06 0.00 0.00 59.70 58.03 1lqf h MET 735 Cb 1.55 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 33.17 1lqf h MET 735 CO -0.16 0.69 0.59 0.22 1.06 0.00 0.00 176.91 179.31 1lqf h ASP 736 N -0.19 1.02 0.03 1.22 1.82 -0.86 -3.18 116.42 116.28 1lqf h ASP 736 Ca 0.01 -0.03 -0.06 0.00 -0.39 0.00 0.00 57.03 56.56 1lqf h ASP 736 Cb 0.66 -0.25 0.01 0.00 0.68 0.00 0.00 39.33 40.42 1lqf h ASP 736 CO 0.03 0.73 -0.27 0.50 -1.61 0.00 0.00 179.24 178.63 1lqf h LYS 737 N 1.20 0.13 -7.25 0.28 3.64 -1.09 -3.47 116.57 110.01 1lqf h LYS 737 Ca 0.33 -0.18 -0.52 0.00 -1.27 0.00 0.00 60.65 59.01 1lqf h LYS 737 Cb -0.13 0.06 0.14 0.00 -0.41 0.00 0.00 32.23 31.89 1lqf h LYS 737 CO -0.07 1.01 0.33 1.03 -2.27 0.00 0.00 179.45 179.47 1lqf s ARG 738 N -2.64 2.11 -0.01 1.90 0.52 0.13 -5.02 118.95 115.94 1lqf s ARG 738 Ca -0.17 1.42 -0.05 0.00 -0.52 0.00 0.00 55.73 56.41 1lqf s ARG 738 Cb -0.01 -1.86 -0.03 0.00 0.52 0.00 0.00 34.95 33.57 1lqf s ARG 738 CO 0.74 -1.79 0.48 1.57 0.02 0.00 0.00 175.30 176.32 1lqf h LYS 739 N -0.83 -0.18 -5.62 3.54 5.09 -1.87 -3.41 116.57 113.28 1lqf h LYS 739 Ca -0.45 0.01 -0.60 0.00 0.09 0.00 0.00 60.65 59.71 1lqf h LYS 739 Cb 1.25 0.04 -0.10 0.00 0.10 0.00 0.00 32.23 33.53 1lqf h LYS 739 CO 0.50 -0.12 0.11 0.34 -2.09 0.00 0.00 179.45 178.19 1lqf s ASP 740 N -3.38 6.66 0.05 7.07 2.15 -1.26 -4.93 116.67 123.03 1lqf s ASP 740 Ca -0.03 0.80 0.28 0.00 0.43 0.00 0.00 52.55 54.03 1lqf s ASP 740 Cb 0.00 -2.34 1.04 0.00 -0.30 0.00 0.00 42.92 41.32 1lqf s ASP 740 CO 0.08 -0.28 1.82 -0.81 -0.17 0.00 0.00 175.17 175.81 1lqf n PRO 741 N 5.12 0.06 0.07 4.34 -0.04 -1.26 -2.82 135.00 140.47 1lqf n PRO 741 Ca -0.02 0.05 0.13 0.00 -0.04 0.00 0.00 63.50 63.62 1lqf n PRO 741 Cb 0.50 -1.57 0.33 0.00 -0.04 0.00 0.00 33.50 32.72 1lqf n PRO 741 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1lqf n SER 742 N -1.68 0.66 0.00 3.54 7.64 -1.26 -3.25 113.62 119.27 1lqf n SER 742 Ca 0.06 0.34 0.07 0.00 1.01 0.00 0.00 58.87 60.36 1lqf n SER 742 Cb 0.36 -0.34 0.35 0.00 -1.01 0.00 0.00 64.21 63.58 1lqf n SER 742 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1lqf n SER 743 N -2.07 0.00 -4.63 6.43 3.41 -1.13 -4.64 113.62 110.99 1lqf n SER 743 Ca 0.05 0.29 -0.43 0.00 -0.26 0.00 0.00 58.87 58.52 1lqf n SER 743 Cb 0.42 -0.40 -0.02 0.00 -0.26 0.00 0.00 64.21 63.95 1lqf n SER 743 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1lqf s VAL 744 N -2.80 4.33 -0.72 -3.33 1.01 -1.20 -4.97 120.40 112.72 1lqf s VAL 744 Ca 0.11 1.51 -0.16 0.00 0.00 0.00 0.00 61.98 63.43 1lqf s VAL 744 Cb 0.10 -4.32 0.16 0.00 0.00 0.00 0.00 36.38 32.32 1lqf s VAL 744 CO 0.26 -0.52 0.72 -0.62 0.00 0.00 0.00 175.10 174.94 1lqf s ASP 745 N 2.19 6.48 0.25 3.32 2.15 -1.26 -4.94 116.67 124.86 1lqf s ASP 745 Ca 0.50 -2.13 -0.05 0.00 0.43 0.00 0.00 52.55 51.29 1lqf s ASP 745 Cb -0.14 -2.25 0.47 0.00 -0.30 0.00 0.00 42.92 40.70 1lqf s ASP 745 CO 0.20 -0.81 1.66 0.40 -0.17 0.00 0.00 175.17 176.45 1lqf h ILE 746 N 5.42 0.41 -0.08 4.11 1.08 -1.96 -1.05 117.51 125.44 1lqf h ILE 746 Ca -0.07 -0.06 0.02 0.00 -0.39 0.00 0.00 64.86 64.36 1lqf h ILE 746 Cb 1.06 0.22 -0.02 0.00 -3.07 0.00 0.00 36.82 35.02 1lqf h ILE 746 CO 0.94 0.03 -0.04 0.50 -0.69 0.00 0.00 178.15 178.89 1lqf h LYS 747 N 0.17 -0.04 -0.68 2.37 3.64 -2.00 -1.83 116.57 118.20 1lqf h LYS 747 Ca 0.42 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.86 1lqf h LYS 747 Cb 0.75 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.52 1lqf h LYS 747 CO -0.60 -0.03 0.38 -0.22 -2.27 0.00 0.00 179.45 176.72 1lqf h LYS 748 N -0.04 0.69 -0.69 1.90 3.64 -1.66 -2.20 116.57 118.20 1lqf h LYS 748 Ca 0.05 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1lqf h LYS 748 Cb 0.11 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 1lqf h LYS 748 CO -0.11 0.45 0.30 0.28 -2.27 0.00 0.00 179.45 178.11 1lqf h VAL 749 N 0.71 1.24 -0.49 2.00 2.07 -1.00 -0.86 116.25 119.92 1lqf h VAL 749 Ca 0.30 -0.72 -0.10 0.00 0.82 0.00 0.00 66.70 67.00 1lqf h VAL 749 Cb 0.18 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 1lqf h VAL 749 CO -0.18 0.29 -0.09 0.25 0.02 0.00 0.00 177.57 177.87 1lqf h LEU 750 N 0.98 0.87 -1.07 2.57 5.85 -1.07 -0.45 115.31 122.99 1lqf h LEU 750 Ca 0.23 -0.26 -0.08 0.00 0.84 0.00 0.00 57.88 58.61 1lqf h LEU 750 Cb 0.17 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 1lqf h LEU 750 CO -0.02 0.98 -0.19 -0.07 -0.34 0.00 0.00 178.44 178.79 1lqf h LEU 751 N 0.79 0.42 -0.50 2.25 3.38 -1.14 0.28 115.31 120.80 1lqf h LEU 751 Ca 0.13 -0.12 -0.13 0.00 0.09 0.00 0.00 57.88 57.86 1lqf h LEU 751 Cb 0.60 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1lqf h LEU 751 CO 0.04 0.63 -0.18 -0.08 0.09 0.00 0.00 178.44 178.93 1lqf h GLU 752 N 0.39 1.00 -0.40 1.13 4.81 -0.72 -3.11 114.58 117.68 1lqf h GLU 752 Ca 0.07 -0.41 -0.09 0.00 -0.13 0.00 0.00 59.36 58.79 1lqf h GLU 752 Cb 0.56 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 1lqf h GLU 752 CO 0.04 1.09 -0.10 1.98 -0.73 0.00 0.00 179.01 181.29 1lqf h MET 753 N 0.86 0.78 0.00 1.92 4.05 -0.55 -2.51 114.93 119.48 1lqf h MET 753 Ca 0.12 -0.30 0.00 0.00 -0.28 0.00 0.00 59.70 59.24 1lqf h MET 753 Cb 0.76 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.52 1lqf h MET 753 CO 0.06 0.91 0.00 0.54 0.23 0.00 0.00 176.91 178.65 1lqf n ARG 754 N -4.33 0.16 0.22 0.39 1.74 0.93 -1.06 116.66 114.70 1lqf n ARG 754 Ca -0.01 0.15 0.08 0.00 -0.77 0.00 0.00 57.85 57.30 1lqf n ARG 754 Cb 0.37 -1.50 0.48 0.00 -1.02 0.00 0.00 32.46 30.78 1lqf n ARG 754 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1lqf h LYS 755 N 0.00 0.00 0.00 5.56 1.63 -1.38 -3.27 116.57 119.11 1lqf h LYS 755 Ca 0.00 0.00 -0.29 0.00 -0.85 0.00 0.00 60.65 59.51 1lqf h LYS 755 Cb 0.06 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 31.63 1lqf h LYS 755 CO 0.00 0.27 -2.07 1.19 -3.45 0.00 0.00 179.45 175.39 1lqf n PHE 756 N -3.64 0.34 -3.77 1.91 3.01 -0.23 -4.98 117.46 110.10 1lqf n PHE 756 Ca -0.01 0.12 -0.13 0.00 1.01 0.00 0.00 57.45 58.44 1lqf n PHE 756 Cb 0.40 -1.00 -0.11 0.00 -0.01 0.00 0.00 39.48 38.76 1lqf n PHE 756 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 1lqf s ARG 757 N -2.68 0.37 0.63 -1.08 3.52 -1.23 -4.42 118.95 114.07 1lqf s ARG 757 Ca -0.08 0.33 -0.15 0.00 -0.13 0.00 0.00 55.73 55.70 1lqf s ARG 757 Cb 0.08 0.18 -0.02 0.00 -1.56 0.00 0.00 34.95 33.63 1lqf s ARG 757 CO 0.84 -0.06 1.07 0.00 -0.81 0.00 0.00 175.30 176.34 1lqf s MET 758 N -0.03 3.10 -1.13 5.12 0.23 -1.26 -4.33 119.30 121.00 1lqf s MET 758 Ca -0.02 1.20 -0.02 0.00 -1.03 0.00 0.00 55.69 55.82 1lqf s MET 758 Cb -0.03 -2.00 0.02 0.00 -1.53 0.00 0.00 34.83 31.29 1lqf s MET 758 CO 0.01 -0.99 0.14 0.41 -2.03 0.00 0.00 175.02 172.56 1lqf n GLY 759 N -1.06 -0.50 3.69 3.16 0.00 -1.26 -4.86 105.19 104.36 1lqf n GLY 759 Ca 0.09 0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1lqf n GLY 759 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1lqf s LEU 760 N -5.86 4.35 -0.01 0.99 1.43 -1.26 -4.18 118.68 114.15 1lqf s LEU 760 Ca 0.10 2.33 -0.01 0.00 -1.03 0.00 0.00 54.13 55.52 1lqf s LEU 760 Cb -0.05 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.60 1lqf s LEU 760 CO 0.13 -0.78 0.01 -0.38 0.23 0.00 0.00 176.35 175.55 1lqf n ILE 761 N 4.54 -4.81 0.35 -0.59 5.41 -0.32 -4.93 119.36 119.02 1lqf n ILE 761 Ca 0.14 0.72 0.11 0.00 1.00 0.00 0.00 62.75 64.73 1lqf n ILE 761 Cb 0.42 -3.83 0.02 0.00 -0.71 0.00 0.00 39.64 35.54 1lqf n ILE 761 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1lqf n GLN 762 N 0.42 0.43 -4.34 0.38 1.13 -1.26 -4.91 117.38 109.24 1lqf n GLN 762 Ca -0.02 0.03 -0.17 0.00 -1.94 0.00 0.00 57.00 54.90 1lqf n GLN 762 Cb 0.03 -1.68 -0.10 0.00 0.11 0.00 0.00 30.24 28.60 1lqf n GLN 762 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1lqf s THR 763 N -3.28 1.14 0.37 5.09 -4.23 -1.26 -5.02 115.64 108.45 1lqf s THR 763 Ca 0.01 -2.05 0.12 0.00 -1.18 0.00 0.00 61.69 58.59 1lqf s THR 763 Cb 0.13 -2.30 0.09 0.00 1.34 0.00 0.00 72.50 71.76 1lqf s THR 763 CO 0.80 -0.37 1.83 0.00 -0.54 0.00 0.00 174.62 176.33 1lqf h ALA 764 N 2.48 1.38 0.00 3.99 0.00 -1.94 -2.53 119.26 122.64 1lqf h ALA 764 Ca -0.38 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.07 1lqf h ALA 764 Cb 1.22 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 1lqf h ALA 764 CO 0.65 0.46 -0.57 0.22 0.00 0.00 0.00 179.25 180.01 1lqf h ASP 765 N 0.02 0.00 -0.19 0.00 3.58 -1.95 -1.87 116.42 116.02 1lqf h ASP 765 Ca -0.00 0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.29 1lqf h ASP 765 Cb 0.65 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.69 1lqf h ASP 765 CO 0.05 0.57 -0.45 1.56 -2.88 0.00 0.00 179.24 178.09 1lqf h GLN 766 N 0.00 0.75 -0.16 0.28 4.20 -1.81 -1.06 115.11 117.31 1lqf h GLN 766 Ca -0.01 -0.42 -0.00 0.00 0.06 0.00 0.00 58.65 58.28 1lqf h GLN 766 Cb 1.34 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 29.14 1lqf h GLN 766 CO 0.07 1.04 0.09 1.25 -0.67 0.00 0.00 178.83 180.61 1lqf h LEU 767 N 0.60 0.21 0.28 1.46 5.85 -1.34 -2.31 115.31 120.06 1lqf h LEU 767 Ca 0.04 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.67 1lqf h LEU 767 Cb 1.01 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.96 1lqf h LEU 767 CO 0.10 0.24 -0.38 -0.09 -0.34 0.00 0.00 178.44 177.97 1lqf h ARG 768 N 0.15 -0.69 -1.04 1.25 2.43 -1.23 -1.60 114.38 113.66 1lqf h ARG 768 Ca 0.06 0.05 0.27 0.00 -0.81 0.00 0.00 59.98 59.54 1lqf h ARG 768 Cb 0.09 0.16 -0.09 0.00 -0.42 0.00 0.00 29.97 29.70 1lqf h ARG 768 CO -0.01 -0.46 0.67 0.35 -1.51 0.00 0.00 179.97 179.01 1lqf h PHE 769 N -0.72 0.61 0.40 2.20 3.57 -1.13 -1.44 116.94 120.43 1lqf h PHE 769 Ca -0.01 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 1lqf h PHE 769 Cb 0.68 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 1lqf h PHE 769 CO -0.26 0.06 -0.25 0.77 -2.23 0.00 0.00 178.31 176.40 1lqf h SER 770 N 0.37 -0.63 -0.28 0.41 0.02 -0.70 0.83 113.55 113.57 1lqf h SER 770 Ca 0.58 0.04 0.06 0.00 -0.84 0.00 0.00 61.79 61.63 1lqf h SER 770 Cb 1.53 0.19 -0.07 0.00 0.14 0.00 0.00 62.40 64.19 1lqf h SER 770 CO -0.27 -0.40 -0.15 1.88 -1.14 0.00 0.00 176.83 176.75 1lqf h TYR 771 N -0.63 -0.38 0.46 3.45 -1.99 -1.13 0.33 116.97 117.08 1lqf h TYR 771 Ca -0.04 0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.71 1lqf h TYR 771 Cb 0.52 0.21 -0.02 0.00 2.00 0.00 0.00 36.73 39.43 1lqf h TYR 771 CO -0.10 -0.22 -0.49 1.25 -0.00 0.00 0.00 178.16 178.60 1lqf h LEU 772 N -0.12 -1.34 -0.15 3.88 5.85 -0.98 0.45 115.31 122.91 1lqf h LEU 772 Ca 0.15 0.11 0.03 0.00 0.84 0.00 0.00 57.88 59.01 1lqf h LEU 772 Cb 0.34 0.45 -0.07 0.00 0.37 0.00 0.00 40.66 41.76 1lqf h LEU 772 CO -0.35 -0.64 -0.52 0.00 -0.34 0.00 0.00 178.44 176.58 1lqf h ALA 773 N -0.77 -0.83 -0.45 1.25 0.00 0.11 0.79 119.26 119.36 1lqf h ALA 773 Ca -0.05 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 54.90 1lqf h ALA 773 Cb 0.85 0.97 -0.08 0.00 0.00 0.00 0.00 17.79 19.53 1lqf h ALA 773 CO -0.08 -1.06 -0.07 0.28 0.00 0.00 0.00 179.25 178.32 1lqf h VAL 774 N -0.56 0.59 -0.38 0.00 2.07 -0.18 0.26 116.25 118.05 1lqf h VAL 774 Ca 0.04 -0.01 0.01 0.00 0.82 0.00 0.00 66.70 67.56 1lqf h VAL 774 Cb 0.67 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1lqf h VAL 774 CO -0.44 0.01 0.25 0.40 0.02 0.00 0.00 177.57 177.81 1lqf h ILE 775 N 0.04 1.09 0.32 4.57 2.04 0.72 0.21 117.51 126.51 1lqf h ILE 775 Ca 0.22 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.89 1lqf h ILE 775 Cb 0.33 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 1lqf h ILE 775 CO -0.43 0.09 -0.16 -0.08 0.00 0.00 0.00 178.15 177.58 1lqf h GLU 776 N 0.51 -0.42 0.00 2.37 4.81 0.13 -2.98 114.58 119.01 1lqf h GLU 776 Ca 0.14 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1lqf h GLU 776 Cb -0.05 0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1lqf h GLU 776 CO -0.03 -0.09 0.09 0.78 -0.73 0.00 0.00 179.01 179.02 1lqf h GLY 777 N -0.92 0.00 1.96 1.92 0.00 -0.54 0.10 103.07 105.60 1lqf h GLY 777 Ca -0.04 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.25 1lqf h GLY 777 CO 0.07 0.00 -0.16 0.00 0.00 0.00 0.00 176.54 176.46 1lqf h ALA 778 N 1.80 1.68 -0.34 3.60 0.00 -0.78 -3.10 119.26 122.12 1lqf h ALA 778 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1lqf h ALA 778 Cb 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1lqf h ALA 778 CO 0.00 0.24 0.00 1.63 0.00 0.00 0.00 179.25 181.12 1lqf n LYS 779 N -4.33 0.00 -0.13 0.00 5.02 0.35 -1.83 118.16 117.25 1lqf n LYS 779 Ca -0.02 0.70 -0.04 0.00 -2.02 0.00 0.00 58.31 56.93 1lqf n LYS 779 Cb 0.24 -1.44 0.04 0.00 -0.02 0.00 0.00 35.03 33.85 1lqf n LYS 779 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 1lqf h PHE 780 N 0.00 0.06 0.00 2.13 0.04 -1.75 -2.37 116.94 115.06 1lqf h PHE 780 Ca 0.00 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.80 1lqf h PHE 780 Cb 0.00 0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.19 1lqf h PHE 780 CO -0.33 -0.04 0.00 -0.89 -0.60 0.00 0.00 178.31 176.45 1lqf n ILE 781 N -5.15 0.00 0.47 -0.55 2.08 -1.17 -1.54 119.36 113.49 1lqf n ILE 781 Ca 0.04 1.48 0.02 0.00 0.56 0.00 0.00 62.75 64.84 1lqf n ILE 781 Cb 0.21 -2.31 0.12 0.00 -0.75 0.00 0.00 39.64 36.92 1lqf n ILE 781 CO 0.00 0.00 0.00 1.15 0.56 0.00 0.00 176.55 178.26 1lqf n MET 782 N -2.27 0.23 -0.36 0.38 0.00 -0.76 -5.05 117.12 109.30 1lqf n MET 782 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1lqf n MET 782 Cb 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 33.22 31.94 1lqf n MET 782 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38