#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lqf h LEU 498 N 0.00 0.84 -0.56 3.14 3.38 -2.03 -3.26 115.31 116.81 1lqf h LEU 498 Ca 0.00 -0.33 0.18 0.00 0.09 0.00 0.00 57.88 57.82 1lqf h LEU 498 Cb 0.00 -0.23 -0.10 0.00 0.09 0.00 0.00 40.66 40.42 1lqf h LEU 498 CO 0.00 0.96 0.09 -0.62 0.09 0.00 0.00 178.44 178.97 1lqf n GLU 499 N -4.32 -0.04 0.24 1.13 4.71 -1.26 0.32 120.64 121.42 1lqf n GLU 499 Ca 0.00 0.83 0.17 0.00 -0.01 0.00 0.00 57.16 58.15 1lqf n GLU 499 Cb 0.33 -1.36 0.78 0.00 -1.01 0.00 0.00 31.44 30.19 1lqf n GLU 499 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 1lqf h PHE 500 N 0.00 0.00 0.00 -0.32 3.57 -2.01 0.36 116.94 118.54 1lqf h PHE 500 Ca 0.38 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.83 1lqf h PHE 500 Cb 0.86 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.60 1lqf h PHE 500 CO -0.21 0.00 -0.26 0.52 -2.23 0.00 0.00 178.31 176.14 1lqf h MET 501 N 0.00 0.00 -0.07 1.11 0.00 -0.40 -3.25 114.93 112.31 1lqf h MET 501 Ca 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 59.70 59.68 1lqf h MET 501 Cb 0.83 0.00 -0.01 0.00 0.00 0.00 0.00 31.60 32.42 1lqf h MET 501 CO -0.00 0.26 -0.41 0.93 0.00 0.00 0.00 176.91 177.68 1lqf h GLU 502 N 0.00 0.16 0.11 1.72 4.39 -0.43 -3.06 114.58 117.47 1lqf h GLU 502 Ca -0.00 -0.07 -0.25 0.00 0.34 0.00 0.00 59.36 59.37 1lqf h GLU 502 Cb 1.06 -0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.74 1lqf h GLU 502 CO 0.03 0.55 -1.04 0.52 -1.16 0.00 0.00 179.01 177.91 1lqf h MET 503 N 0.13 0.51 -0.21 2.33 2.86 -1.62 -1.95 114.93 116.98 1lqf h MET 503 Ca 0.01 -0.70 -0.11 0.00 -2.06 0.00 0.00 59.70 56.85 1lqf h MET 503 Cb 0.79 0.23 -0.01 0.00 0.06 0.00 0.00 31.60 32.67 1lqf h MET 503 CO 0.06 1.30 -0.33 0.93 1.06 0.00 0.00 176.91 179.93 1lqf h GLU 504 N 0.05 0.44 0.75 1.72 5.08 -1.64 0.80 114.58 121.77 1lqf h GLU 504 Ca -0.16 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 57.97 1lqf h GLU 504 Cb 1.76 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 31.00 1lqf h GLU 504 CO 0.20 0.72 -0.36 -0.22 -1.00 0.00 0.00 179.01 178.35 1lqf h LYS 505 N 0.38 -0.96 -0.56 2.33 3.64 -1.62 0.40 116.57 120.16 1lqf h LYS 505 Ca 0.05 0.07 0.11 0.00 -1.27 0.00 0.00 60.65 59.60 1lqf h LYS 505 Cb 0.77 0.22 -0.08 0.00 -0.41 0.00 0.00 32.23 32.72 1lqf h LYS 505 CO 0.06 -0.63 0.08 1.49 -2.27 0.00 0.00 179.45 178.18 1lqf h GLU 506 N -1.24 0.20 -0.69 1.90 4.81 -1.17 0.28 114.58 118.66 1lqf h GLU 506 Ca -0.10 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.10 1lqf h GLU 506 Cb 0.78 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.08 1lqf h GLU 506 CO 0.17 0.13 0.38 0.35 -0.73 0.00 0.00 179.01 179.31 1lqf h PHE 507 N 0.21 0.93 -0.49 0.92 3.04 0.74 -2.68 116.94 119.60 1lqf h PHE 507 Ca 0.29 -0.01 -0.13 0.00 3.98 0.00 0.00 57.97 62.10 1lqf h PHE 507 Cb 0.44 -0.30 -0.01 0.00 2.56 0.00 0.00 35.95 38.63 1lqf h PHE 507 CO -0.27 0.65 -0.20 1.49 -2.02 0.00 0.00 178.31 177.96 1lqf h GLU 508 N 0.96 1.00 -0.75 1.11 4.57 0.31 -1.10 114.58 120.69 1lqf h GLU 508 Ca 0.25 -0.42 0.11 0.00 -1.18 0.00 0.00 59.36 58.12 1lqf h GLU 508 Cb 0.02 -0.04 -0.08 0.00 -0.16 0.00 0.00 28.75 28.49 1lqf h GLU 508 CO -0.04 1.10 0.36 1.96 -1.18 0.00 0.00 179.01 181.21 1lqf h GLN 509 N 0.87 0.57 -0.34 1.92 1.08 -0.54 0.28 115.11 118.95 1lqf h GLN 509 Ca 0.12 -0.03 -0.13 0.00 -1.45 0.00 0.00 58.65 57.15 1lqf h GLN 509 Cb 0.78 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 28.07 1lqf h GLN 509 CO 0.06 0.38 -0.33 0.82 -0.95 0.00 0.00 178.83 178.82 1lqf h ILE 510 N 0.59 1.28 0.29 2.54 2.04 -1.32 -2.58 117.51 120.36 1lqf h ILE 510 Ca 0.38 -1.48 -0.01 0.00 1.00 0.00 0.00 64.86 64.75 1lqf h ILE 510 Cb 0.45 1.37 0.00 0.00 -0.74 0.00 0.00 36.82 37.91 1lqf h ILE 510 CO -0.30 0.48 -0.14 -0.78 0.00 0.00 0.00 178.15 177.41 1lqf h ASP 511 N 0.63 -0.33 -0.21 1.72 3.58 0.11 -1.11 116.42 120.81 1lqf h ASP 511 Ca 0.07 -0.21 0.04 0.00 0.42 0.00 0.00 57.03 57.35 1lqf h ASP 511 Cb 0.86 0.09 -0.04 0.00 1.72 0.00 0.00 39.33 41.96 1lqf h ASP 511 CO 0.08 0.10 -0.02 0.11 -2.88 0.00 0.00 179.24 176.62 1lqf h LYS 512 N -0.83 0.04 -0.38 0.28 1.57 -1.06 -0.02 116.57 116.15 1lqf h LYS 512 Ca -0.04 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1lqf h LYS 512 Cb 0.52 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1lqf h LYS 512 CO 0.07 0.02 0.00 -1.13 -0.57 0.00 0.00 179.45 177.84 1lqf n SER 513 N -5.17 0.86 -3.56 0.86 3.41 -0.97 -4.91 113.62 104.14 1lqf n SER 513 Ca -0.02 -2.04 -0.19 0.00 -0.26 0.00 0.00 58.87 56.36 1lqf n SER 513 Cb 0.12 -0.22 -0.06 0.00 -0.26 0.00 0.00 64.21 63.79 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 0.45 -0.08 0.29 5.00 0.00 -0.02 -4.78 105.19 106.04 1lqf n GLY 514 Ca 0.03 0.10 0.08 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.55 0.85 0.16 1.61 7.64 -0.57 -4.43 113.62 117.33 1lqf n SER 515 Ca -0.18 -1.70 -0.13 0.00 1.01 0.00 0.00 58.87 57.87 1lqf n SER 515 Cb 0.40 -0.07 -0.08 0.00 -1.01 0.00 0.00 64.21 63.46 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 1.07 -1.12 -0.93 1.43 -0.00 -1.87 -1.11 115.95 113.43 1lqf h TRP 516 Ca 0.00 0.02 0.20 0.00 -0.00 0.00 0.00 58.89 59.11 1lqf h TRP 516 Cb 0.24 0.46 -0.07 0.00 -0.00 0.00 0.00 29.16 29.78 1lqf h TRP 516 CO 0.07 -0.48 0.60 0.00 -0.00 0.00 0.00 178.44 178.63 1lqf h ALA 517 N -0.96 2.08 0.21 1.49 0.00 -1.87 0.18 119.26 120.39 1lqf h ALA 517 Ca -0.03 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1lqf h ALA 517 Cb 0.62 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1lqf h ALA 517 CO -0.13 -0.38 -0.10 0.00 0.00 0.00 0.00 179.25 178.64 1lqf h ALA 518 N 1.61 -0.28 -0.23 0.00 0.00 -1.77 -1.03 119.26 117.57 1lqf h ALA 518 Ca 0.49 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.28 1lqf h ALA 518 Cb 1.09 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 1lqf h ALA 518 CO -0.22 -0.51 -0.01 0.82 0.00 0.00 0.00 179.25 179.33 1lqf h ILE 519 N -0.57 0.83 -0.50 0.00 2.04 -0.05 -0.70 117.51 118.56 1lqf h ILE 519 Ca -0.03 -0.02 0.06 0.00 1.00 0.00 0.00 64.86 65.87 1lqf h ILE 519 Cb 0.42 0.76 -0.05 0.00 -0.74 0.00 0.00 36.82 37.21 1lqf h ILE 519 CO 0.05 0.01 0.20 0.22 0.00 0.00 0.00 178.15 178.63 1lqf h TYR 520 N 0.06 0.37 0.00 1.37 3.20 -0.66 0.15 116.97 121.45 1lqf h TYR 520 Ca 0.11 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.96 1lqf h TYR 520 Cb 0.14 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 1lqf h TYR 520 CO -0.20 0.14 -0.20 0.37 -1.64 0.00 0.00 178.16 176.64 1lqf h GLN 521 N 0.40 0.00 -0.01 1.82 5.75 -0.59 -1.21 115.11 121.28 1lqf h GLN 521 Ca 0.23 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.73 1lqf h GLN 521 Cb 0.22 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.77 1lqf h GLN 521 CO -0.21 0.20 -0.01 -0.44 -2.65 0.00 0.00 178.83 175.71 1lqf h ASP 522 N 0.00 0.02 -0.81 -0.69 5.19 0.29 -2.04 116.42 118.38 1lqf h ASP 522 Ca -0.00 -0.45 0.09 0.00 -0.62 0.00 0.00 57.03 56.05 1lqf h ASP 522 Cb 0.48 -0.01 -0.06 0.00 0.18 0.00 0.00 39.33 39.93 1lqf h ASP 522 CO 0.03 0.47 0.53 0.40 -3.12 0.00 0.00 179.24 177.54 1lqf h ILE 523 N -0.42 0.96 0.06 0.35 2.04 -0.53 -1.49 117.51 118.48 1lqf h ILE 523 Ca 0.00 -0.27 -0.00 0.00 1.00 0.00 0.00 64.86 65.59 1lqf h ILE 523 Cb 0.46 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 1lqf h ILE 523 CO 0.00 0.14 -0.03 0.03 0.00 0.00 0.00 178.15 178.29 1lqf h ARG 524 N 0.78 -0.08 -0.94 2.37 3.08 -1.17 -1.37 114.38 117.05 1lqf h ARG 524 Ca 0.37 0.01 0.27 0.00 0.07 0.00 0.00 59.98 60.70 1lqf h ARG 524 Cb 0.41 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.44 1lqf h ARG 524 CO -0.14 -0.05 0.93 1.25 -1.07 0.00 0.00 179.97 180.88 1lqf h HIS 525 N -0.11 0.00 0.00 3.04 2.76 -1.21 0.26 115.15 119.89 1lqf h HIS 525 Ca -0.01 0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.09 1lqf h HIS 525 Cb 0.07 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.01 1lqf h HIS 525 CO 0.16 0.00 -1.15 0.93 -1.30 0.00 0.00 177.93 176.57 1lqf h GLU 526 N 0.00 0.00 -6.30 5.26 5.08 -1.16 -3.48 114.58 113.98 1lqf h GLU 526 Ca 0.45 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 58.19 1lqf h GLU 526 Cb 2.30 0.00 0.13 0.00 0.50 0.00 0.00 28.75 31.68 1lqf h GLU 526 CO -0.00 0.14 -0.31 0.00 -1.00 0.00 0.00 179.01 177.84 1lqf n ALA 527 N -2.27 -1.45 -1.40 3.43 0.00 0.91 -4.94 120.51 114.79 1lqf n ALA 527 Ca -0.04 0.26 -0.33 0.00 0.00 0.00 0.00 53.44 53.33 1lqf n ALA 527 Cb 0.68 -1.80 0.07 0.00 0.00 0.00 0.00 19.45 18.40 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 -0.86 4.76 -0.29 0.00 0.01 -1.26 -5.04 113.70 111.02 1lqf s SER 528 Ca 0.62 2.01 -0.03 0.00 1.31 0.00 0.00 55.95 59.86 1lqf s SER 528 Cb -0.68 -2.55 0.11 0.00 0.21 0.00 0.00 66.02 63.11 1lqf s SER 528 CO 0.58 -1.86 0.16 -0.62 0.41 0.00 0.00 173.24 171.91 1lqf s ASP 529 N -2.70 3.19 0.33 2.44 2.15 -1.26 -4.97 116.67 115.85 1lqf s ASP 529 Ca 0.67 -1.23 0.08 0.00 0.43 0.00 0.00 52.55 52.49 1lqf s ASP 529 Cb -0.21 -0.20 -0.03 0.00 -0.30 0.00 0.00 42.92 42.18 1lqf s ASP 529 CO 0.46 -0.43 0.23 -0.36 -0.17 0.00 0.00 175.17 174.90 1lqf s PHE 530 N 2.11 2.83 0.42 -5.34 0.40 -1.26 -5.12 117.98 112.02 1lqf s PHE 530 Ca 0.09 -0.33 -0.23 0.00 -0.60 0.00 0.00 56.93 55.87 1lqf s PHE 530 Cb -0.16 -1.72 -0.09 0.00 0.51 0.00 0.00 43.02 41.57 1lqf s PHE 530 CO -0.35 0.26 1.05 -1.25 0.70 0.00 0.00 175.22 175.63 1lqf s PRO 531 N -3.93 4.07 -0.42 0.24 0.04 -1.26 -4.92 135.00 128.83 1lqf s PRO 531 Ca 0.39 1.47 0.09 0.00 0.04 0.00 0.00 61.00 62.99 1lqf s PRO 531 Cb -0.04 -2.42 0.42 0.00 0.04 0.00 0.00 34.50 32.49 1lqf s PRO 531 CO 0.25 -0.21 1.02 0.00 0.04 0.00 0.00 177.00 178.10 1lqf h ARG 533 N 2.77 -0.93 -0.98 0.00 2.47 -1.95 -2.93 114.38 112.83 1lqf h ARG 533 Ca 0.16 0.06 0.29 0.00 -1.26 0.00 0.00 59.98 59.22 1lqf h ARG 533 Cb 0.94 0.21 -0.14 0.00 -1.65 0.00 0.00 29.97 29.33 1lqf h ARG 533 CO 0.73 -0.62 0.52 0.28 0.56 0.00 0.00 179.97 181.44 1lqf h VAL 534 N -0.97 0.37 -0.13 2.04 2.07 -1.92 0.36 116.25 118.07 1lqf h VAL 534 Ca -0.08 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.32 1lqf h VAL 534 Cb 0.78 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1lqf h VAL 534 CO 0.06 0.07 0.09 0.00 0.02 0.00 0.00 177.57 177.81 1lqf h ALA 535 N 1.80 1.97 -0.01 1.67 0.00 -1.80 -2.91 119.26 119.98 1lqf h ALA 535 Ca 0.68 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.58 1lqf h ALA 535 Cb 1.45 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1lqf h ALA 535 CO -0.57 0.02 -0.09 1.63 0.00 0.00 0.00 179.25 180.23 1lqf n LYS 536 N -4.52 1.29 -1.71 0.00 4.76 0.13 -4.65 118.16 113.46 1lqf n LYS 536 Ca -0.01 -0.72 -0.35 0.00 -2.87 0.00 0.00 58.31 54.36 1lqf n LYS 536 Cb 0.12 -1.49 0.07 0.00 -1.84 0.00 0.00 35.03 31.89 1lqf n LYS 536 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1lqf s LEU 537 N -2.20 3.49 0.32 -0.35 1.02 -1.10 -4.91 118.68 114.95 1lqf s LEU 537 Ca 0.33 2.40 -0.00 0.00 0.02 0.00 0.00 54.13 56.88 1lqf s LEU 537 Cb 0.20 -4.60 0.52 0.00 0.02 0.00 0.00 46.19 42.34 1lqf s LEU 537 CO 0.41 -1.95 1.97 -0.65 0.02 0.00 0.00 176.35 176.15 1lqf h PRO 538 N 0.29 0.95 0.00 1.29 0.11 -1.92 -2.37 132.00 130.35 1lqf h PRO 538 Ca -0.49 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 65.53 1lqf h PRO 538 Cb 1.30 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1lqf h PRO 538 CO 0.52 0.65 -0.07 1.57 -0.21 0.00 0.00 178.00 180.47 1lqf h LYS 539 N 0.97 0.00 -0.65 1.05 2.10 -1.96 -2.44 116.57 115.64 1lqf h LYS 539 Ca 0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.91 1lqf h LYS 539 Cb -0.07 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.26 1lqf h LYS 539 CO -0.05 0.07 0.00 0.09 -2.00 0.00 0.00 179.45 177.55 1lqf n ASN 540 N -3.31 3.86 -0.37 7.07 3.02 -0.90 -4.56 115.26 120.06 1lqf n ASN 540 Ca -0.01 -2.06 -0.01 0.00 -0.03 0.00 0.00 54.58 52.47 1lqf n ASN 540 Cb 0.24 -0.45 0.12 0.00 -0.61 0.00 0.00 39.78 39.08 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 3.83 1.30 -0.50 3.52 3.64 -1.33 -2.48 116.57 124.54 1lqf h LYS 541 Ca 0.00 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1lqf h LYS 541 Cb 1.00 -0.29 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1lqf h LYS 541 CO 0.03 0.86 0.00 0.27 -2.27 0.00 0.00 179.45 178.34 1lqf n ASN 542 N -4.39 2.97 -1.35 4.20 2.04 -1.26 -3.79 115.26 113.67 1lqf n ASN 542 Ca 0.12 -1.97 0.11 0.00 -0.44 0.00 0.00 54.58 52.40 1lqf n ASN 542 Cb 0.03 -0.33 0.32 0.00 -2.53 0.00 0.00 39.78 37.26 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 1.13 2.87 -4.93 -3.83 1.74 -0.93 -4.92 116.66 107.79 1lqf n ARG 543 Ca 0.19 -2.67 -0.29 0.00 -0.77 0.00 0.00 57.85 54.31 1lqf n ARG 543 Cb 0.48 -1.60 -0.15 0.00 -1.02 0.00 0.00 32.46 30.18 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 -0.99 2.94 -0.07 0.55 0.01 -1.24 -4.34 114.94 111.79 1lqf s ASN 544 Ca 0.48 -0.54 -0.18 0.00 -0.71 0.00 0.00 52.86 51.92 1lqf s ASN 544 Cb 0.26 -0.28 -0.29 0.00 0.41 0.00 0.00 41.25 41.35 1lqf s ASN 544 CO 0.31 0.25 0.71 -0.09 -1.51 0.00 0.00 177.10 176.78 1lqf h ARG 545 N 5.00 0.29 -4.86 -0.60 2.43 -1.90 -3.47 114.38 111.27 1lqf h ARG 545 Ca -0.44 -0.49 -0.38 0.00 -0.81 0.00 0.00 59.98 57.85 1lqf h ARG 545 Cb 1.14 0.18 -0.26 0.00 -0.42 0.00 0.00 29.97 30.62 1lqf h ARG 545 CO 0.45 1.24 -0.77 0.71 -1.51 0.00 0.00 179.97 180.08 1lqf s TYR 546 N -2.47 0.89 0.41 2.20 1.51 -1.26 -5.06 117.35 113.57 1lqf s TYR 546 Ca -0.17 -0.28 0.07 0.00 -1.01 0.00 0.00 57.07 55.68 1lqf s TYR 546 Cb 0.03 -0.54 0.85 0.00 -0.11 0.00 0.00 41.96 42.19 1lqf s TYR 546 CO 0.80 -0.01 2.04 0.00 -1.11 0.00 0.00 175.55 177.27 1lqf h ARG 547 N 5.30 0.49 -0.02 -0.62 3.08 -1.98 -2.99 114.38 117.63 1lqf h ARG 547 Ca -0.34 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.67 1lqf h ARG 547 Cb 1.19 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.13 1lqf h ARG 547 CO 0.46 0.36 -0.02 -0.40 -1.07 0.00 0.00 179.97 179.30 1lqf n ASP 548 N -4.45 2.22 -4.14 7.04 5.75 -1.26 -4.80 116.55 116.91 1lqf n ASP 548 Ca 0.02 -1.73 -0.35 0.00 -0.01 0.00 0.00 54.79 52.73 1lqf n ASP 548 Cb 0.09 0.01 -0.13 0.00 -1.03 0.00 0.00 41.12 40.06 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 -2.02 2.94 0.06 2.12 1.01 -1.13 -5.07 120.40 118.31 1lqf s VAL 549 Ca 0.33 -1.64 0.01 0.00 0.00 0.00 0.00 61.98 60.67 1lqf s VAL 549 Cb 0.20 -2.81 -0.03 0.00 0.00 0.00 0.00 36.38 33.74 1lqf s VAL 549 CO 0.33 -0.28 -0.06 -0.44 0.00 0.00 0.00 175.10 174.65 1lqf s SER 550 N 1.34 0.81 0.09 3.32 0.01 -1.26 -4.62 113.70 113.39 1lqf s SER 550 Ca -0.01 -0.78 -0.21 0.00 1.31 0.00 0.00 55.95 56.26 1lqf s SER 550 Cb -0.20 0.09 -0.07 0.00 0.21 0.00 0.00 66.02 66.05 1lqf s SER 550 CO -0.03 -0.37 0.64 -2.16 0.41 0.00 0.00 173.24 171.73 1lqf s PRO 551 N -2.74 4.32 0.48 12.44 0.04 -1.26 -4.54 135.00 143.74 1lqf s PRO 551 Ca -0.00 0.86 -0.23 0.00 0.04 0.00 0.00 61.00 61.67 1lqf s PRO 551 Cb -0.02 -3.26 -0.07 0.00 0.04 0.00 0.00 34.50 31.19 1lqf s PRO 551 CO -0.03 0.58 1.20 -0.06 0.04 0.00 0.00 177.00 178.73 1lqf s PHE 552 N -0.98 2.77 0.42 0.56 0.08 -1.26 -4.58 117.98 114.98 1lqf s PHE 552 Ca 0.31 1.51 0.13 0.00 0.12 0.00 0.00 56.93 59.00 1lqf s PHE 552 Cb -0.20 -3.46 0.88 0.00 -0.57 0.00 0.00 43.02 39.67 1lqf s PHE 552 CO 0.21 -1.76 1.93 -0.44 -0.10 0.00 0.00 175.22 175.06 1lqf h ASP 553 N 1.94 0.04 1.07 1.36 3.32 -1.52 -0.03 116.42 122.61 1lqf h ASP 553 Ca -0.50 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.54 1lqf h ASP 553 Cb 1.26 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.80 1lqf h ASP 553 CO 0.60 0.27 0.00 1.12 -1.72 0.00 0.00 179.24 179.51 1lqf h HIS 554 N 0.04 0.00 0.00 4.55 2.07 -1.91 -3.30 115.15 116.59 1lqf h HIS 554 Ca 0.01 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.53 1lqf h HIS 554 Cb 0.43 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.41 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 -2.87 0.61 -4.75 3.10 3.41 -1.08 -5.07 113.62 106.97 1lqf n SER 555 Ca 0.01 -1.26 -0.37 0.00 -0.26 0.00 0.00 58.87 57.00 1lqf n SER 555 Cb 0.32 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.30 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 -0.26 3.02 -0.15 4.33 1.70 -0.04 -1.02 118.95 126.53 1lqf s ARG 556 Ca 0.00 1.92 -0.23 0.00 -0.47 0.00 0.00 55.73 56.96 1lqf s ARG 556 Cb 0.00 -2.02 -0.03 0.00 -0.57 0.00 0.00 34.95 32.34 1lqf s ARG 556 CO 0.00 -1.19 0.71 0.42 -1.08 0.00 0.00 175.30 174.15 1lqf s ILE 557 N -1.51 4.99 -0.17 4.99 -1.09 -0.07 -4.81 121.20 123.54 1lqf s ILE 557 Ca 0.76 1.39 -0.13 0.00 -2.23 0.00 0.00 60.65 60.44 1lqf s ILE 557 Cb -0.33 -4.03 -0.05 0.00 -1.58 0.00 0.00 42.46 36.48 1lqf s ILE 557 CO 0.37 0.14 0.25 -0.54 -1.23 0.00 0.00 174.94 173.92 1lqf s LYS 558 N 1.60 4.22 0.36 2.79 1.02 -1.26 -4.30 119.74 124.18 1lqf s LYS 558 Ca 0.34 0.01 -0.25 0.00 0.02 0.00 0.00 55.97 56.09 1lqf s LYS 558 Cb -0.17 -3.42 -0.09 0.00 -0.52 0.00 0.00 37.83 33.63 1lqf s LYS 558 CO 0.13 0.27 1.02 -0.51 -0.92 0.00 0.00 175.35 175.33 1lqf s LEU 559 N 0.41 4.25 -1.48 3.17 1.43 0.07 -4.95 118.68 121.59 1lqf s LEU 559 Ca 0.14 1.98 -0.11 0.00 -1.03 0.00 0.00 54.13 55.11 1lqf s LEU 559 Cb -0.12 -4.07 0.02 0.00 0.03 0.00 0.00 46.19 42.05 1lqf s LEU 559 CO 0.02 -0.30 2.44 1.41 0.23 0.00 0.00 176.35 180.16 1lqf n HIS 560 N 0.29 3.00 -4.37 0.29 8.25 -1.26 -4.59 115.22 116.82 1lqf n HIS 560 Ca 0.03 -2.98 -0.24 0.00 -0.26 0.00 0.00 57.72 54.28 1lqf n HIS 560 Cb 0.49 -2.39 -0.13 0.00 1.12 0.00 0.00 29.99 29.08 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 2.07 1.16 0.13 -0.41 -0.21 -1.26 -5.05 119.66 116.10 1lqf s GLN 561 Ca 0.54 -1.07 0.09 0.00 0.02 0.00 0.00 55.36 54.94 1lqf s GLN 561 Cb 0.15 -1.36 -0.17 0.00 1.00 0.00 0.00 33.01 32.63 1lqf s GLN 561 CO -0.07 0.33 1.24 0.93 -2.12 0.00 0.00 175.29 175.60 1lqf h GLU 562 N 4.34 0.00 0.00 2.91 4.39 -2.04 -3.42 114.58 120.77 1lqf h GLU 562 Ca -0.44 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.26 1lqf h GLU 562 Cb 1.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 1lqf h GLU 562 CO 0.41 0.87 0.00 -3.47 -1.16 0.00 0.00 179.01 175.66 1lqf n ASP 563 N -3.30 0.00 -3.99 1.42 2.03 -1.26 -4.93 116.55 106.52 1lqf n ASP 563 Ca -0.01 0.26 -0.29 0.00 0.52 0.00 0.00 54.79 55.26 1lqf n ASP 563 Cb 0.92 -0.32 -0.17 0.00 -0.72 0.00 0.00 41.12 40.83 1lqf n ASP 563 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1lqf s ASN 564 N -2.41 2.60 0.00 1.67 3.84 -1.26 -5.00 114.94 114.37 1lqf s ASN 564 Ca 0.00 -0.46 0.22 0.00 0.21 0.00 0.00 52.86 52.83 1lqf s ASN 564 Cb 0.00 -1.11 0.49 0.00 -0.55 0.00 0.00 41.25 40.08 1lqf s ASN 564 CO 0.00 -0.07 1.43 -0.90 -2.79 0.00 0.00 177.10 174.77 1lqf n ASP 565 N 4.81 3.59 -4.76 -4.21 5.68 -1.26 -4.69 116.55 115.71 1lqf n ASP 565 Ca -0.16 -1.99 -0.40 0.00 -0.50 0.00 0.00 54.79 51.75 1lqf n ASP 565 Cb 0.50 -0.32 -0.06 0.00 -1.14 0.00 0.00 41.12 40.09 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 -1.29 3.96 -0.11 2.11 5.04 -1.26 -0.75 117.35 125.06 1lqf s TYR 566 Ca 0.41 1.85 -0.16 0.00 -2.44 0.00 0.00 57.07 56.73 1lqf s TYR 566 Cb 0.23 -2.93 0.04 0.00 0.35 0.00 0.00 41.96 39.65 1lqf s TYR 566 CO 0.31 0.47 0.42 -1.50 -1.34 0.00 0.00 175.55 173.90 1lqf s ILE 567 N -1.18 0.02 -0.94 3.14 2.07 -1.26 -4.90 121.20 118.13 1lqf s ILE 567 Ca 0.40 -0.13 -0.22 0.00 -1.41 0.00 0.00 60.65 59.29 1lqf s ILE 567 Cb -0.25 -0.64 0.07 0.00 0.13 0.00 0.00 42.46 41.78 1lqf s ILE 567 CO 0.30 -0.07 1.31 0.21 -1.91 0.00 0.00 174.94 174.78 1lqf s ASN 568 N -0.33 6.49 -0.28 4.50 3.84 -1.26 -4.65 114.94 123.25 1lqf s ASN 568 Ca -0.05 -1.51 -0.23 0.00 0.21 0.00 0.00 52.86 51.28 1lqf s ASN 568 Cb -0.03 -2.51 0.11 0.00 -0.55 0.00 0.00 41.25 38.27 1lqf s ASN 568 CO 0.02 -1.40 0.92 0.00 -2.79 0.00 0.00 177.10 173.85 1lqf s ALA 569 N 4.29 -1.96 0.25 1.71 0.00 -1.26 -3.20 121.76 121.59 1lqf s ALA 569 Ca 0.39 2.02 0.11 0.00 0.00 0.00 0.00 51.96 54.48 1lqf s ALA 569 Cb -0.03 -1.42 -0.05 0.00 0.00 0.00 0.00 23.12 21.62 1lqf s ALA 569 CO -0.06 -0.29 -0.14 -1.12 0.00 0.00 0.00 175.76 174.15 1lqf s SER 570 N 0.57 3.92 -0.30 0.00 0.01 0.17 -0.89 113.70 117.18 1lqf s SER 570 Ca -0.01 -0.84 -0.08 0.00 1.31 0.00 0.00 55.95 56.34 1lqf s SER 570 Cb -0.05 -0.50 0.00 0.00 0.21 0.00 0.00 66.02 65.69 1lqf s SER 570 CO -0.07 0.05 0.10 -0.22 0.41 0.00 0.00 173.24 173.51 1lqf s LEU 571 N -3.34 3.90 -0.35 2.44 2.96 -0.19 -1.76 118.68 122.34 1lqf s LEU 571 Ca 0.28 -0.64 -0.17 0.00 -0.22 0.00 0.00 54.13 53.38 1lqf s LEU 571 Cb -0.06 -1.91 -0.00 0.00 0.50 0.00 0.00 46.19 44.71 1lqf s LEU 571 CO 0.16 -0.19 0.45 -0.63 -1.32 0.00 0.00 176.35 174.82 1lqf s ILE 572 N 1.53 5.08 -0.34 6.68 1.09 -0.37 -4.89 121.20 129.98 1lqf s ILE 572 Ca 0.03 0.16 0.00 0.00 -1.10 0.00 0.00 60.65 59.74 1lqf s ILE 572 Cb -0.17 -3.92 0.09 0.00 -1.06 0.00 0.00 42.46 37.40 1lqf s ILE 572 CO 0.03 -0.19 0.07 -0.75 -0.10 0.00 0.00 174.94 174.00 1lqf s LYS 573 N 2.23 1.96 -0.55 2.79 2.20 -1.26 -1.45 119.74 125.66 1lqf s LYS 573 Ca 0.15 -1.66 -0.20 0.00 -0.36 0.00 0.00 55.97 53.91 1lqf s LYS 573 Cb -0.16 -3.29 0.07 0.00 -1.51 0.00 0.00 37.83 32.94 1lqf s LYS 573 CO 0.13 -0.87 0.71 -1.64 -0.36 0.00 0.00 175.35 173.32 1lqf s MET 574 N 1.09 3.12 0.00 4.03 -1.94 -0.47 -4.97 119.30 120.16 1lqf s MET 574 Ca 0.04 -0.94 0.00 0.00 -1.71 0.00 0.00 55.69 53.08 1lqf s MET 574 Cb -0.21 -4.15 0.00 0.00 2.01 0.00 0.00 34.83 32.48 1lqf s MET 574 CO -0.05 -1.40 0.95 0.39 -0.01 0.00 0.00 175.02 174.91 1lqf n GLU 575 N 6.50 0.00 -0.41 2.03 4.71 -1.26 -0.49 120.64 131.72 1lqf n GLU 575 Ca -0.06 0.48 -0.08 0.00 -0.01 0.00 0.00 57.16 57.49 1lqf n GLU 575 Cb 0.45 -1.45 -0.05 0.00 -1.01 0.00 0.00 31.44 29.38 1lqf n GLU 575 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 1lqf n GLU 576 N -1.90 -0.37 0.28 3.49 2.13 -1.26 0.15 120.64 123.16 1lqf n GLU 576 Ca 0.00 1.51 0.15 0.00 0.66 0.00 0.00 57.16 59.48 1lqf n GLU 576 Cb 0.00 -2.23 0.80 0.00 0.27 0.00 0.00 31.44 30.28 1lqf n GLU 576 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1lqf h ALA 577 N 0.80 1.20 -5.58 4.31 0.00 -1.94 -3.47 119.26 114.57 1lqf h ALA 577 Ca 0.22 -0.08 -0.29 0.00 0.00 0.00 0.00 54.91 54.77 1lqf h ALA 577 Cb 0.47 -0.01 0.18 0.00 0.00 0.00 0.00 17.79 18.43 1lqf h ALA 577 CO -0.95 0.10 -0.86 1.04 0.00 0.00 0.00 179.25 178.58 1lqf n GLN 578 N -3.47 -2.78 -3.77 0.00 6.02 0.39 -4.96 117.38 108.81 1lqf n GLN 578 Ca -0.02 0.81 -0.13 0.00 -0.01 0.00 0.00 57.00 57.66 1lqf n GLN 578 Cb 0.22 -5.63 -0.09 0.00 1.02 0.00 0.00 30.24 25.76 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 -4.74 0.65 0.02 -1.09 3.52 -1.05 -4.96 118.95 111.31 1lqf s ARG 579 Ca 0.39 -0.21 0.01 0.00 -0.13 0.00 0.00 55.73 55.79 1lqf s ARG 579 Cb -0.06 0.29 -0.02 0.00 -1.56 0.00 0.00 34.95 33.60 1lqf s ARG 579 CO 0.75 -0.18 -0.05 -1.12 -0.81 0.00 0.00 175.30 173.90 1lqf s SER 580 N -1.33 0.46 0.24 -2.12 0.01 -1.26 -1.37 113.70 108.34 1lqf s SER 580 Ca -0.14 -0.42 0.01 0.00 1.31 0.00 0.00 55.95 56.71 1lqf s SER 580 Cb -0.05 0.05 -0.05 0.00 0.21 0.00 0.00 66.02 66.18 1lqf s SER 580 CO 0.04 -0.20 0.09 -0.31 0.41 0.00 0.00 173.24 173.27 1lqf s TYR 581 N -1.13 1.43 -0.18 2.43 1.51 -0.53 -3.99 117.35 116.89 1lqf s TYR 581 Ca -0.10 -1.19 -0.00 0.00 -1.01 0.00 0.00 57.07 54.76 1lqf s TYR 581 Cb -0.08 -0.82 0.05 0.00 -0.11 0.00 0.00 41.96 41.00 1lqf s TYR 581 CO -0.00 -0.37 -0.05 0.42 -1.11 0.00 0.00 175.55 174.44 1lqf s ILE 582 N -3.81 1.19 -0.17 2.71 1.01 -0.74 -1.23 121.20 120.16 1lqf s ILE 582 Ca 0.36 -0.76 -0.09 0.00 0.00 0.00 0.00 60.65 60.16 1lqf s ILE 582 Cb 0.07 -1.40 -0.05 0.00 0.01 0.00 0.00 42.46 41.10 1lqf s ILE 582 CO 0.12 0.07 0.12 -0.76 0.00 0.00 0.00 174.94 174.49 1lqf s LEU 583 N 1.59 4.18 0.13 2.97 1.02 -0.73 0.01 118.68 127.84 1lqf s LEU 583 Ca -0.01 0.27 -0.05 0.00 0.02 0.00 0.00 54.13 54.36 1lqf s LEU 583 Cb -0.16 -2.06 -0.02 0.00 0.02 0.00 0.00 46.19 43.97 1lqf s LEU 583 CO -0.08 0.24 0.15 0.28 0.02 0.00 0.00 176.35 176.97 1lqf s THR 584 N -0.03 0.11 0.69 5.49 -1.32 -0.66 -0.66 115.64 119.26 1lqf s THR 584 Ca 0.09 -1.60 -0.11 0.00 -1.21 0.00 0.00 61.69 58.86 1lqf s THR 584 Cb -0.11 -1.81 0.01 0.00 -1.51 0.00 0.00 72.50 69.07 1lqf s THR 584 CO -0.00 -0.48 1.08 0.00 -2.21 0.00 0.00 174.62 173.01 1lqf s GLN 585 N -3.98 2.93 0.16 7.08 -2.07 -1.19 -3.75 119.66 118.84 1lqf s GLN 585 Ca 0.17 0.47 -0.31 0.00 -1.82 0.00 0.00 55.36 53.87 1lqf s GLN 585 Cb 0.06 -2.04 -0.09 0.00 -1.09 0.00 0.00 33.01 29.84 1lqf s GLN 585 CO -0.02 -0.98 1.48 0.20 -1.32 0.00 0.00 175.29 174.66 1lqf s GLY 586 N -4.34 1.84 0.62 2.60 0.00 0.24 -4.80 107.32 103.47 1lqf s GLY 586 Ca 0.58 1.27 -0.18 0.00 0.00 0.00 0.00 44.72 46.39 1lqf s GLY 586 CO 0.52 2.47 0.68 -1.05 0.00 0.00 0.00 173.10 175.71 1lqf n PRO 587 N 3.68 0.58 -3.84 2.90 -0.02 -1.26 -4.75 135.00 132.29 1lqf n PRO 587 Ca 0.12 0.23 -0.23 0.00 -2.02 0.00 0.00 63.50 61.60 1lqf n PRO 587 Cb 0.40 -1.89 -0.02 0.00 -0.02 0.00 0.00 33.50 31.97 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 -0.49 4.26 0.53 2.45 1.43 -1.26 -1.80 118.68 123.79 1lqf s LEU 588 Ca 0.71 0.18 0.28 0.00 -1.03 0.00 0.00 54.13 54.27 1lqf s LEU 588 Cb -0.41 -2.97 1.43 0.00 0.03 0.00 0.00 46.19 44.27 1lqf s LEU 588 CO 0.52 -0.09 1.94 -0.65 0.23 0.00 0.00 176.35 178.30 1lqf h PRO 589 N 1.30 0.01 -0.02 1.29 0.11 -1.97 0.83 132.00 133.55 1lqf h PRO 589 Ca -0.51 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 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 0.63 0.01 -0.22 0.27 -0.21 0.00 0.00 178.00 178.47 1lqf n ASN 590 N -4.33 2.40 -0.61 -2.05 6.94 -1.26 -4.28 115.26 112.08 1lqf n ASN 590 Ca 0.15 -1.71 0.07 0.00 -0.02 0.00 0.00 54.58 53.07 1lqf n ASN 590 Cb 0.79 0.22 0.08 0.00 -2.36 0.00 0.00 39.78 38.51 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 0.59 0.12 -0.16 5.53 -1.04 0.25 -4.59 114.28 114.98 1lqf n THR 591 Ca 0.12 -0.56 -0.06 0.00 -2.04 0.00 0.00 64.05 61.51 1lqf n THR 591 Cb 0.52 1.20 0.11 0.00 -1.82 0.00 0.00 70.33 70.35 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 1.00 0.59 0.65 0.00 0.00 -1.90 -2.67 103.07 100.74 1lqf h GLY 593 Ca 0.17 -0.28 0.05 0.00 0.00 0.00 0.00 47.33 47.27 1lqf h GLY 593 CO 0.02 0.27 0.22 0.45 0.00 0.00 0.00 176.54 177.50 1lqf h HIS 594 N 0.50 0.41 -0.10 5.60 -0.00 -1.80 -0.59 115.15 119.16 1lqf h HIS 594 Ca 0.14 0.02 0.04 0.00 -0.00 0.00 0.00 60.37 60.57 1lqf h HIS 594 Cb 0.08 -0.11 -0.05 0.00 -0.00 0.00 0.00 27.41 27.33 1lqf h HIS 594 CO -0.02 0.18 -0.21 0.35 -0.00 0.00 0.00 177.93 178.23 1lqf h PHE 595 N 0.44 -0.55 0.00 2.45 3.04 -1.11 0.66 116.94 121.87 1lqf h PHE 595 Ca 0.23 0.03 -0.06 0.00 3.98 0.00 0.00 57.97 62.15 1lqf h PHE 595 Cb 0.18 0.26 -0.01 0.00 2.56 0.00 0.00 35.95 38.94 1lqf h PHE 595 CO -0.12 -0.29 -0.27 -1.49 -2.02 0.00 0.00 178.31 174.11 1lqf h TRP 596 N -0.28 0.00 -0.26 0.41 4.06 -1.27 -2.05 115.95 116.56 1lqf h TRP 596 Ca 0.09 0.00 -0.17 0.00 2.06 0.00 0.00 58.89 60.87 1lqf h TRP 596 Cb 0.41 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.57 1lqf h TRP 596 CO -0.30 0.27 -0.51 1.49 -3.56 0.00 0.00 178.44 175.84 1lqf h GLU 597 N 0.00 0.72 -0.52 0.49 4.81 -0.27 -1.56 114.58 118.26 1lqf h GLU 597 Ca -0.00 -0.43 -0.06 0.00 -0.13 0.00 0.00 59.36 58.73 1lqf h GLU 597 Cb 0.77 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.17 1lqf h GLU 597 CO 0.04 1.06 0.08 1.98 -0.73 0.00 0.00 179.01 181.43 1lqf h MET 598 N 0.56 0.86 -0.21 1.92 4.05 -0.60 0.15 114.93 121.66 1lqf h MET 598 Ca 0.02 -0.24 0.02 0.00 -0.28 0.00 0.00 59.70 59.22 1lqf h MET 598 Cb 1.08 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 31.76 1lqf h MET 598 CO 0.11 0.85 0.08 0.28 0.23 0.00 0.00 176.91 178.46 1lqf h VAL 599 N 0.75 0.96 0.10 -5.77 2.07 -1.20 0.16 116.25 113.32 1lqf h VAL 599 Ca 0.16 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.61 1lqf h VAL 599 Cb 0.41 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1lqf h VAL 599 CO 0.01 0.03 -0.05 -0.25 0.02 0.00 0.00 177.57 177.34 1lqf h TRP 600 N 0.19 -0.12 -0.11 1.57 2.91 -1.03 -1.11 115.95 118.25 1lqf h TRP 600 Ca 0.09 -0.00 -0.07 0.00 1.13 0.00 0.00 58.89 60.04 1lqf h TRP 600 Cb 0.05 0.04 -0.01 0.00 -0.51 0.00 0.00 29.16 28.73 1lqf h TRP 600 CO -0.11 0.04 -0.24 0.93 -1.03 0.00 0.00 178.44 178.03 1lqf h GLU 601 N -0.26 0.19 -0.00 2.65 5.08 -0.85 -2.74 114.58 118.65 1lqf h GLU 601 Ca -0.01 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1lqf h GLU 601 Cb 0.21 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1lqf h GLU 601 CO 0.02 0.43 -0.34 1.04 -1.00 0.00 0.00 179.01 179.16 1lqf n GLN 602 N -4.19 0.18 -3.23 2.33 1.13 0.54 -4.95 117.38 109.20 1lqf n GLN 602 Ca -0.01 -0.09 -0.19 0.00 -1.94 0.00 0.00 57.00 54.77 1lqf n GLN 602 Cb 0.34 -1.50 0.05 0.00 0.11 0.00 0.00 30.24 29.25 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 -1.33 -5.67 -2.43 -1.09 5.02 -0.46 -4.16 118.16 108.04 1lqf n LYS 603 Ca 0.08 0.67 -0.33 0.00 -2.02 0.00 0.00 58.31 56.70 1lqf n LYS 603 Cb 0.33 -5.18 -0.03 0.00 -0.02 0.00 0.00 35.03 30.14 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 -3.12 6.29 -0.09 4.39 0.01 -0.98 -0.46 113.70 119.73 1lqf s SER 604 Ca 0.41 1.84 0.10 0.00 1.31 0.00 0.00 55.95 59.61 1lqf s SER 604 Cb -0.18 -2.55 -0.14 0.00 0.21 0.00 0.00 66.02 63.37 1lqf s SER 604 CO 0.50 -0.82 0.07 -1.14 0.41 0.00 0.00 173.24 172.26 1lqf n ARG 605 N -1.26 1.99 -4.15 12.44 0.00 -1.26 -4.87 116.66 119.55 1lqf n ARG 605 Ca 0.09 -0.02 -0.13 0.00 -0.00 0.00 0.00 57.85 57.78 1lqf n ARG 605 Cb 0.53 -1.28 -0.11 0.00 0.00 0.00 0.00 32.46 31.61 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 -4.19 0.76 -0.05 5.14 0.00 -1.26 -0.76 107.32 106.96 1lqf s GLY 606 Ca -0.05 -1.14 0.02 0.00 0.00 0.00 0.00 44.72 43.55 1lqf s GLY 606 CO 0.45 -1.21 -0.08 0.14 0.00 0.00 0.00 173.10 172.39 1lqf s VAL 607 N -2.48 0.80 -0.21 1.40 1.01 0.10 -2.04 120.40 118.99 1lqf s VAL 607 Ca 0.04 -0.28 -0.03 0.00 0.00 0.00 0.00 61.98 61.70 1lqf s VAL 607 Cb -0.03 -0.77 -0.01 0.00 0.00 0.00 0.00 36.38 35.58 1lqf s VAL 607 CO -0.01 0.28 -0.05 -0.69 0.00 0.00 0.00 175.10 174.63 1lqf s VAL 608 N 0.77 3.33 -0.23 2.92 1.01 0.74 -0.92 120.40 128.03 1lqf s VAL 608 Ca -0.13 -0.51 -0.05 0.00 0.00 0.00 0.00 61.98 61.29 1lqf s VAL 608 Cb -0.15 -2.51 -0.02 0.00 0.00 0.00 0.00 36.38 33.71 1lqf s VAL 608 CO 0.02 0.43 0.00 -0.32 0.00 0.00 0.00 175.10 175.24 1lqf s MET 609 N 1.37 3.51 0.00 2.72 0.00 0.14 -1.46 119.30 125.58 1lqf s MET 609 Ca 0.05 -0.56 0.16 0.00 0.00 0.00 0.00 55.69 55.34 1lqf s MET 609 Cb -0.14 -3.13 0.14 0.00 0.00 0.00 0.00 34.83 31.70 1lqf s MET 609 CO -0.03 -0.17 1.03 1.28 0.00 0.00 0.00 175.02 177.14 1lqf n LEU 610 N 4.77 2.40 0.00 4.11 4.77 -0.44 -0.12 117.00 132.49 1lqf n LEU 610 Ca -0.17 -1.04 0.00 0.00 -0.03 0.00 0.00 56.01 54.76 1lqf n LEU 610 Cb 0.51 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1lqf n LEU 610 CO 0.30 0.44 0.00 -0.46 -1.33 0.00 0.00 177.39 176.34 1lqf n ASN 611 N 0.92 1.94 -4.05 -1.43 6.94 -1.26 -4.55 115.26 113.78 1lqf n ASN 611 Ca 0.10 -0.52 -0.13 0.00 -0.02 0.00 0.00 54.58 54.02 1lqf n ASN 611 Cb 0.41 0.00 -0.11 0.00 -2.36 0.00 0.00 39.78 37.72 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 -0.52 0.50 0.11 -3.83 0.52 -1.26 -4.80 118.95 109.66 1lqf s ARG 612 Ca 0.00 -0.73 -0.26 0.00 -0.52 0.00 0.00 55.73 54.23 1lqf s ARG 612 Cb 0.00 -0.25 -0.10 0.00 0.52 0.00 0.00 34.95 35.13 1lqf s ARG 612 CO 0.00 0.04 1.67 0.28 0.02 0.00 0.00 175.30 177.31 1lqf h VAL 613 N 4.53 0.58 -2.81 3.52 2.07 -1.93 -3.37 116.25 118.83 1lqf h VAL 613 Ca -0.35 0.00 -0.68 0.00 0.82 0.00 0.00 66.70 66.49 1lqf h VAL 613 Cb 1.20 0.58 -0.18 0.00 -1.52 0.00 0.00 31.29 31.37 1lqf h VAL 613 CO 0.41 0.00 0.30 -0.32 0.02 0.00 0.00 177.57 177.98 1lqf s MET 614 N -6.11 3.13 -0.36 1.57 -2.45 -1.26 -2.05 119.30 111.76 1lqf s MET 614 Ca -0.15 -1.25 0.01 0.00 -1.25 0.00 0.00 55.69 53.05 1lqf s MET 614 Cb 0.07 -4.31 0.11 0.00 1.25 0.00 0.00 34.83 31.95 1lqf s MET 614 CO 0.66 -1.64 0.13 -1.21 1.05 0.00 0.00 175.02 174.01 1lqf s GLU 615 N 3.02 1.05 -0.47 4.11 2.02 -0.73 -4.82 118.70 122.88 1lqf s GLU 615 Ca 0.17 -1.53 -0.01 0.00 0.02 0.00 0.00 54.97 53.62 1lqf s GLU 615 Cb -0.20 -2.37 -0.01 0.00 0.10 0.00 0.00 34.13 31.65 1lqf s GLU 615 CO 0.06 -1.03 0.40 1.63 0.02 0.00 0.00 175.26 176.34 1lqf n LYS 616 N 4.34 -2.15 0.00 1.61 4.76 -1.26 -3.31 118.16 122.15 1lqf n LYS 616 Ca 0.02 0.35 0.00 0.00 -2.87 0.00 0.00 58.31 55.81 1lqf n LYS 616 Cb 0.40 -3.69 0.00 0.00 -1.84 0.00 0.00 35.03 29.89 1lqf n LYS 616 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1lqf n GLY 617 N -1.16 1.02 3.88 0.72 0.00 -1.26 -4.94 105.19 103.45 1lqf n GLY 617 Ca -0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 1lqf n GLY 617 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1lqf s SER 618 N -2.08 6.13 -0.31 1.61 0.01 -1.21 -5.08 113.70 112.78 1lqf s SER 618 Ca 0.00 0.20 -0.26 0.00 1.31 0.00 0.00 55.95 57.20 1lqf s SER 618 Cb 0.00 -1.83 0.01 0.00 0.21 0.00 0.00 66.02 64.40 1lqf s SER 618 CO 0.00 0.18 0.92 -0.76 0.41 0.00 0.00 173.24 173.99 1lqf s LEU 619 N -2.40 4.03 0.00 2.44 1.02 -1.26 -1.77 118.68 120.74 1lqf s LEU 619 Ca 0.32 0.85 0.13 0.00 0.02 0.00 0.00 54.13 55.45 1lqf s LEU 619 Cb -0.13 -3.29 -0.08 0.00 0.02 0.00 0.00 46.19 42.72 1lqf s LEU 619 CO 0.25 -0.72 0.64 0.29 0.02 0.00 0.00 176.35 176.82 1lqf n LYS 620 N 6.47 2.39 -3.58 1.70 4.76 -0.87 -4.99 118.16 124.05 1lqf n LYS 620 Ca 0.07 -0.33 -0.13 0.00 -2.87 0.00 0.00 58.31 55.05 1lqf n LYS 620 Cb 0.48 -1.14 -0.06 0.00 -1.84 0.00 0.00 35.03 32.47 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 -0.74 3.26 -1.10 0.00 0.00 -0.75 -4.66 121.76 117.78 1lqf s ALA 622 Ca -0.04 -0.23 -0.21 0.00 0.00 0.00 0.00 51.96 51.48 1lqf s ALA 622 Cb -0.02 -2.82 0.06 0.00 0.00 0.00 0.00 23.12 20.34 1lqf s ALA 622 CO 0.03 -0.36 1.52 -1.14 0.00 0.00 0.00 175.76 175.82 1lqf s GLN 623 N -4.58 3.71 -0.11 0.00 2.00 -1.26 -4.80 119.66 114.62 1lqf s GLN 623 Ca 0.52 -1.39 0.11 0.00 -2.00 0.00 0.00 55.36 52.59 1lqf s GLN 623 Cb -0.10 -5.40 0.50 0.00 0.80 0.00 0.00 33.01 28.81 1lqf s GLN 623 CO 0.43 -2.21 1.32 2.48 -0.50 0.00 0.00 175.29 176.81 1lqf n TYR 624 N 8.67 1.13 -3.80 1.67 0.18 -1.26 -4.91 117.16 118.82 1lqf n TYR 624 Ca 0.37 -0.42 -0.10 0.00 1.88 0.00 0.00 57.90 59.63 1lqf n TYR 624 Cb 0.49 -0.25 -0.07 0.00 -0.38 0.00 0.00 39.34 39.13 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 -1.89 0.03 0.33 -3.48 -2.14 -1.26 -5.06 118.94 105.47 1lqf s TRP 625 Ca 0.34 -0.35 -0.29 0.00 2.66 0.00 0.00 56.10 58.46 1lqf s TRP 625 Cb 0.24 0.02 -0.11 0.00 -3.10 0.00 0.00 33.47 30.52 1lqf s TRP 625 CO 0.14 -0.53 1.50 -2.14 -2.66 0.00 0.00 176.95 173.26 1lqf s PRO 626 N -3.34 4.15 -0.26 3.25 0.02 -1.26 -5.00 135.00 132.56 1lqf s PRO 626 Ca 0.01 2.51 -0.14 0.00 0.02 0.00 0.00 61.00 63.40 1lqf s PRO 626 Cb 0.02 -3.01 -0.11 0.00 0.02 0.00 0.00 34.50 31.42 1lqf s PRO 626 CO -0.08 -0.53 -0.35 1.04 -0.33 0.00 0.00 177.00 176.75 1lqf n GLN 627 N 1.33 0.57 0.00 5.54 6.02 -1.26 -4.84 117.38 124.74 1lqf n GLN 627 Ca 0.04 0.25 0.00 0.00 -0.01 0.00 0.00 57.00 57.28 1lqf n GLN 627 Cb 0.39 -1.46 0.00 0.00 1.02 0.00 0.00 30.24 30.19 1lqf n GLN 627 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1lqf n LYS 628 N -4.24 0.00 0.00 -1.09 5.02 -1.26 -4.99 118.16 111.60 1lqf n LYS 628 Ca -0.49 0.70 0.00 0.00 -2.02 0.00 0.00 58.31 56.49 1lqf n LYS 628 Cb 0.84 -1.44 0.00 0.00 -0.02 0.00 0.00 35.03 34.41 1lqf n LYS 628 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1lqf n GLU 629 N -2.31 0.00 -0.98 1.97 0.00 -1.26 -4.94 120.64 113.12 1lqf n GLU 629 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1lqf n GLU 629 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 1lqf n GLU 629 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1lqf n GLU 630 N 0.00 -1.00 -2.28 5.31 4.07 -1.22 -4.97 120.64 120.55 1lqf n GLU 630 Ca 0.00 0.25 -0.38 0.00 -0.06 0.00 0.00 57.16 56.97 1lqf n GLU 630 Cb 0.00 -4.03 -0.02 0.00 -0.06 0.00 0.00 31.44 27.33 1lqf n GLU 630 CO 0.00 0.00 0.00 0.21 -0.06 0.00 0.00 177.13 177.28 1lqf s LYS 631 N -1.03 3.90 -0.06 5.31 2.20 -1.26 -4.74 119.74 124.06 1lqf s LYS 631 Ca 0.00 1.79 0.00 0.00 -0.36 0.00 0.00 55.97 57.41 1lqf s LYS 631 Cb 0.00 -2.53 0.02 0.00 -1.51 0.00 0.00 37.83 33.82 1lqf s LYS 631 CO 0.00 -0.44 -0.05 -2.00 -0.36 0.00 0.00 175.35 172.51 1lqf s GLU 632 N -2.52 0.95 0.52 4.03 2.12 -1.26 -1.13 118.70 121.42 1lqf s GLU 632 Ca 0.61 -0.10 0.07 0.00 0.36 0.00 0.00 54.97 55.90 1lqf s GLU 632 Cb -0.29 -1.02 0.03 0.00 0.26 0.00 0.00 34.13 33.11 1lqf s GLU 632 CO 0.36 -0.15 0.46 -1.64 -0.54 0.00 0.00 175.26 173.76 1lqf s MET 633 N 1.24 2.32 -0.18 4.30 -1.94 0.22 -4.97 119.30 120.28 1lqf s MET 633 Ca -0.06 -1.86 -0.14 0.00 -1.71 0.00 0.00 55.69 51.93 1lqf s MET 633 Cb -0.14 -2.24 0.05 0.00 2.01 0.00 0.00 34.83 34.51 1lqf s MET 633 CO -0.02 -0.57 0.46 0.42 -0.01 0.00 0.00 175.02 175.31 1lqf s ILE 634 N -2.69 -0.01 -0.54 2.53 1.01 -1.26 -2.67 121.20 117.57 1lqf s ILE 634 Ca 0.42 0.03 -0.03 0.00 0.00 0.00 0.00 60.65 61.07 1lqf s ILE 634 Cb -0.03 -0.67 0.14 0.00 0.01 0.00 0.00 42.46 41.92 1lqf s ILE 634 CO 0.26 0.01 0.35 -0.36 0.00 0.00 0.00 174.94 175.20 1lqf s PHE 635 N 0.78 3.47 0.17 3.97 0.40 -0.13 -4.98 117.98 121.67 1lqf s PHE 635 Ca -0.04 -2.61 -0.20 0.00 -0.60 0.00 0.00 56.93 53.48 1lqf s PHE 635 Cb -0.05 -3.20 0.10 0.00 0.51 0.00 0.00 43.02 40.37 1lqf s PHE 635 CO -0.06 -0.89 1.61 0.93 0.70 0.00 0.00 175.22 177.51 1lqf h GLU 636 N 7.41 -0.17 -0.36 0.44 3.07 -1.98 0.22 114.58 123.21 1lqf h GLU 636 Ca -0.06 0.01 0.08 0.00 -0.50 0.00 0.00 59.36 58.89 1lqf h GLU 636 Cb 0.99 0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.92 1lqf h GLU 636 CO 0.71 -0.11 0.25 0.38 -1.40 0.00 0.00 179.01 178.84 1lqf h ASP 637 N -0.18 0.12 -0.00 1.42 2.03 -1.98 -3.10 116.42 114.73 1lqf h ASP 637 Ca 0.20 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.50 1lqf h ASP 637 Cb 0.50 -0.02 0.00 0.00 -0.83 0.00 0.00 39.33 38.98 1lqf h ASP 637 CO -0.55 0.08 -0.05 0.35 -1.03 0.00 0.00 179.24 178.04 1lqf n THR 638 N -4.46 0.00 -3.16 1.15 -2.24 -0.97 -5.04 114.28 99.56 1lqf n THR 638 Ca 0.05 -0.48 -0.14 0.00 -2.27 0.00 0.00 64.05 61.21 1lqf n THR 638 Cb 0.34 1.08 0.07 0.00 -2.10 0.00 0.00 70.33 69.71 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 -0.05 -4.60 -4.02 3.42 3.02 0.73 -4.93 115.26 108.83 1lqf n ASN 639 Ca 0.02 -0.61 -0.14 0.00 -0.03 0.00 0.00 54.58 53.82 1lqf n ASN 639 Cb 0.11 -4.73 -0.13 0.00 -0.61 0.00 0.00 39.78 34.42 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 -5.46 2.16 -0.04 3.41 1.43 -1.16 -1.75 118.68 117.26 1lqf s LEU 640 Ca 0.26 -0.36 0.07 0.00 -1.03 0.00 0.00 54.13 53.06 1lqf s LEU 640 Cb -0.03 -0.20 -0.01 0.00 0.03 0.00 0.00 46.19 45.97 1lqf s LEU 640 CO 0.66 -0.10 -0.25 -0.75 0.23 0.00 0.00 176.35 176.15 1lqf s LYS 641 N -0.98 2.35 -0.06 1.70 2.20 -0.11 -0.95 119.74 123.90 1lqf s LYS 641 Ca -0.05 -0.91 0.05 0.00 -0.36 0.00 0.00 55.97 54.70 1lqf s LYS 641 Cb -0.07 -2.09 -0.00 0.00 -1.51 0.00 0.00 37.83 34.15 1lqf s LYS 641 CO 0.00 0.45 -0.20 -1.17 -0.36 0.00 0.00 175.35 174.07 1lqf s LEU 642 N -0.33 1.96 -0.06 5.43 2.96 -1.09 -0.74 118.68 126.80 1lqf s LEU 642 Ca 0.02 -0.42 0.01 0.00 -0.22 0.00 0.00 54.13 53.51 1lqf s LEU 642 Cb -0.12 -1.14 0.02 0.00 0.50 0.00 0.00 46.19 45.45 1lqf s LEU 642 CO 0.02 0.17 -0.06 -0.89 -1.32 0.00 0.00 176.35 174.27 1lqf s THR 643 N 0.07 0.73 0.39 3.68 2.01 -0.37 -0.61 115.64 121.54 1lqf s THR 643 Ca -0.07 -0.19 -0.26 0.00 0.31 0.00 0.00 61.69 61.48 1lqf s THR 643 Cb -0.13 -0.75 -0.09 0.00 0.01 0.00 0.00 72.50 71.54 1lqf s THR 643 CO 0.04 0.28 1.16 -0.22 -0.69 0.00 0.00 174.62 175.20 1lqf s LEU 644 N 1.16 4.23 0.19 4.42 2.96 -0.28 -1.87 118.68 129.49 1lqf s LEU 644 Ca -0.07 2.34 0.00 0.00 -0.22 0.00 0.00 54.13 56.18 1lqf s LEU 644 Cb -0.14 -3.98 0.00 0.00 0.50 0.00 0.00 46.19 42.57 1lqf s LEU 644 CO -0.01 -0.61 0.00 -0.38 -1.32 0.00 0.00 176.35 174.03 1lqf n ILE 645 N 0.20 0.60 -4.51 6.68 5.41 -0.50 -3.43 119.36 123.81 1lqf n ILE 645 Ca 0.04 0.20 -0.24 0.00 1.00 0.00 0.00 62.75 63.74 1lqf n ILE 645 Cb 0.46 -1.03 -0.11 0.00 -0.71 0.00 0.00 39.64 38.26 1lqf n ILE 645 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 1lqf s SER 646 N -5.47 3.21 -0.40 4.38 0.01 -1.16 -4.82 113.70 109.46 1lqf s SER 646 Ca 0.00 -1.26 0.04 0.00 1.31 0.00 0.00 55.95 56.04 1lqf s SER 646 Cb 0.00 -0.26 0.31 0.00 0.21 0.00 0.00 66.02 66.28 1lqf s SER 646 CO 0.00 -0.37 1.22 1.21 0.41 0.00 0.00 173.24 175.71 1lqf n GLU 647 N -0.74 0.56 -1.91 12.44 2.13 -1.24 -2.44 120.64 129.43 1lqf n GLU 647 Ca -0.05 -1.30 -0.39 0.00 0.66 0.00 0.00 57.16 56.08 1lqf n GLU 647 Cb 0.65 -0.65 -0.03 0.00 0.27 0.00 0.00 31.44 31.67 1lqf n GLU 647 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1lqf s ASP 648 N -0.79 5.26 0.20 4.31 2.15 -0.48 -4.83 116.67 122.49 1lqf s ASP 648 Ca 0.23 0.81 -0.17 0.00 0.43 0.00 0.00 52.55 53.85 1lqf s ASP 648 Cb 0.28 -2.52 -0.08 0.00 -0.30 0.00 0.00 42.92 40.30 1lqf s ASP 648 CO -0.13 -2.30 0.64 -0.63 -0.17 0.00 0.00 175.17 172.58 1lqf s ILE 649 N 9.14 4.72 0.03 4.11 1.09 -1.26 -1.33 121.20 137.70 1lqf s ILE 649 Ca 0.78 1.02 0.00 0.00 -1.10 0.00 0.00 60.65 61.36 1lqf s ILE 649 Cb -0.17 -3.77 -0.00 0.00 -1.06 0.00 0.00 42.46 37.45 1lqf s ILE 649 CO 0.26 0.18 0.03 0.29 -0.10 0.00 0.00 174.94 175.59 1lqf n LYS 650 N 0.63 0.04 0.08 2.79 5.02 -0.74 -4.99 118.16 120.99 1lqf n LYS 650 Ca -0.03 -0.27 -0.07 0.00 -2.02 0.00 0.00 58.31 55.91 1lqf n LYS 650 Cb 0.52 0.23 -0.06 0.00 -0.02 0.00 0.00 35.03 35.70 1lqf n LYS 650 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1lqf h SER 651 N 0.17 0.08 0.00 4.39 4.64 -2.02 -3.38 113.55 117.43 1lqf h SER 651 Ca -0.02 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 1lqf h SER 651 Cb 0.10 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1lqf h SER 651 CO 0.03 0.98 -0.34 -1.22 -0.87 0.00 0.00 176.83 175.41 1lqf n TYR 652 N -3.48 0.00 -3.60 4.77 4.01 -1.26 -4.84 117.16 112.76 1lqf n TYR 652 Ca -0.01 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.64 1lqf n TYR 652 Cb 0.88 -0.01 -0.02 0.00 -0.31 0.00 0.00 39.34 39.88 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 -1.53 -0.32 -0.03 -0.72 -0.85 -1.26 -0.22 117.35 112.42 1lqf s TYR 653 Ca 0.01 0.08 0.02 0.00 -0.52 0.00 0.00 57.07 56.66 1lqf s TYR 653 Cb 0.03 0.60 0.01 0.00 0.38 0.00 0.00 41.96 42.98 1lqf s TYR 653 CO 0.18 -0.81 -0.07 0.99 -1.52 0.00 0.00 175.55 174.32 1lqf s THR 654 N -3.46 0.65 -0.23 -3.49 2.01 0.47 -1.79 115.64 109.79 1lqf s THR 654 Ca 0.07 -0.26 -0.02 0.00 0.31 0.00 0.00 61.69 61.79 1lqf s THR 654 Cb -0.02 -0.60 0.01 0.00 0.01 0.00 0.00 72.50 71.90 1lqf s THR 654 CO -0.05 0.22 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.33 1lqf s VAL 655 N 0.39 2.89 0.13 3.82 1.01 -0.44 -1.05 120.40 127.16 1lqf s VAL 655 Ca -0.06 -0.83 0.07 0.00 0.00 0.00 0.00 61.98 61.16 1lqf s VAL 655 Cb -0.10 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.87 1lqf s VAL 655 CO 0.00 0.34 -0.05 -0.13 0.00 0.00 0.00 175.10 175.26 1lqf s ARG 656 N 1.37 2.27 -0.12 2.72 0.52 -0.33 -1.38 118.95 124.00 1lqf s ARG 656 Ca 0.03 -1.05 -0.00 0.00 -0.52 0.00 0.00 55.73 54.18 1lqf s ARG 656 Cb -0.15 -2.34 -0.02 0.00 0.52 0.00 0.00 34.95 32.96 1lqf s ARG 656 CO -0.06 0.49 -0.11 -1.14 0.02 0.00 0.00 175.30 174.50 1lqf s GLN 657 N -2.53 3.31 0.11 3.54 0.74 -1.02 -1.39 119.66 122.43 1lqf s GLN 657 Ca 0.24 -0.64 0.06 0.00 0.05 0.00 0.00 55.36 55.07 1lqf s GLN 657 Cb -0.10 -2.67 -0.04 0.00 1.10 0.00 0.00 33.01 31.30 1lqf s GLN 657 CO 0.16 0.30 -0.14 -0.51 -0.55 0.00 0.00 175.29 174.55 1lqf s LEU 658 N 0.15 2.38 -0.20 3.68 1.43 -0.61 -1.41 118.68 124.10 1lqf s LEU 658 Ca -0.05 -0.78 0.01 0.00 -1.03 0.00 0.00 54.13 52.28 1lqf s LEU 658 Cb -0.15 -0.55 0.03 0.00 0.03 0.00 0.00 46.19 45.56 1lqf s LEU 658 CO 0.04 -0.13 -0.16 -0.70 0.23 0.00 0.00 176.35 175.63 1lqf s GLU 659 N -2.54 2.64 -0.20 1.70 2.56 -0.78 -1.48 118.70 120.60 1lqf s GLU 659 Ca 0.07 -0.95 -0.06 0.00 0.00 0.00 0.00 54.97 54.04 1lqf s GLU 659 Cb -0.06 -2.61 -0.03 0.00 2.00 0.00 0.00 34.13 33.44 1lqf s GLU 659 CO 0.03 -0.33 0.02 -1.17 -0.56 0.00 0.00 175.26 173.24 1lqf s LEU 660 N 1.26 3.38 -0.06 2.70 2.96 -0.32 -1.24 118.68 127.36 1lqf s LEU 660 Ca 0.01 -0.14 0.06 0.00 -0.22 0.00 0.00 54.13 53.83 1lqf s LEU 660 Cb -0.15 -1.86 -0.01 0.00 0.50 0.00 0.00 46.19 44.67 1lqf s LEU 660 CO -0.10 0.09 -0.24 -0.70 -1.32 0.00 0.00 176.35 174.08 1lqf s GLU 661 N 0.88 2.45 -0.40 1.98 2.12 0.08 -0.80 118.70 125.01 1lqf s GLU 661 Ca 0.02 -0.86 -0.27 0.00 0.36 0.00 0.00 54.97 54.22 1lqf s GLU 661 Cb -0.14 -2.07 0.02 0.00 0.26 0.00 0.00 34.13 32.20 1lqf s GLU 661 CO 0.02 0.35 1.00 1.21 -0.54 0.00 0.00 175.26 177.29 1lqf s ASN 662 N -0.10 6.68 0.36 -1.70 3.84 0.21 -0.93 114.94 123.30 1lqf s ASN 662 Ca -0.04 0.54 0.27 0.00 0.21 0.00 0.00 52.86 53.84 1lqf s ASN 662 Cb -0.14 -2.49 1.15 0.00 -0.55 0.00 0.00 41.25 39.22 1lqf s ASN 662 CO 0.04 -0.98 1.81 -0.07 -2.79 0.00 0.00 177.10 175.10 1lqf h LEU 663 N 10.42 0.00 0.08 3.21 3.38 -1.66 0.70 115.31 131.43 1lqf h LEU 663 Ca -0.23 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.57 1lqf h LEU 663 Cb 1.07 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.84 1lqf h LEU 663 CO 1.03 0.00 -0.74 0.74 0.09 0.00 0.00 178.44 179.56 1lqf h THR 664 N 0.00 1.46 -0.00 0.22 2.02 -1.91 -3.37 112.91 111.33 1lqf h THR 664 Ca 0.00 -2.32 0.00 0.00 0.77 0.00 0.00 66.41 64.86 1lqf h THR 664 Cb 0.38 2.90 0.00 0.00 -1.74 0.00 0.00 68.15 69.68 1lqf h THR 664 CO 0.00 0.67 -0.57 0.35 0.37 0.00 0.00 175.52 176.34 1lqf n THR 665 N -4.15 0.00 -2.03 3.16 -2.24 -1.19 -4.99 114.28 102.83 1lqf n THR 665 Ca -0.12 -0.22 -0.18 0.00 -2.27 0.00 0.00 64.05 61.27 1lqf n THR 665 Cb 0.76 1.03 -0.03 0.00 -2.10 0.00 0.00 70.33 69.99 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 -1.09 -1.34 -3.11 -0.78 6.02 0.24 -4.98 117.38 112.35 1lqf n GLN 666 Ca 0.03 0.95 -0.39 0.00 -0.01 0.00 0.00 57.00 57.58 1lqf n GLN 666 Cb 0.23 -5.35 -0.05 0.00 1.02 0.00 0.00 30.24 26.09 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 -4.37 4.40 0.17 -1.09 2.12 -1.18 -4.84 118.70 113.90 1lqf s GLU 667 Ca 0.00 0.85 0.10 0.00 0.36 0.00 0.00 54.97 56.28 1lqf s GLU 667 Cb 0.00 -3.38 -0.04 0.00 0.26 0.00 0.00 34.13 30.97 1lqf s GLU 667 CO 0.00 0.26 -0.17 0.95 -0.54 0.00 0.00 175.26 175.75 1lqf s THR 668 N 0.14 2.78 0.01 -1.70 -4.23 -1.26 -0.61 115.64 110.76 1lqf s THR 668 Ca 0.34 -1.75 -0.02 0.00 -1.18 0.00 0.00 61.69 59.09 1lqf s THR 668 Cb -0.19 -2.33 -0.01 0.00 1.34 0.00 0.00 72.50 71.31 1lqf s THR 668 CO 0.19 -0.05 0.02 -0.13 -0.54 0.00 0.00 174.62 174.11 1lqf s ARG 669 N -2.57 0.26 -0.13 3.99 0.52 0.02 -4.99 118.95 116.06 1lqf s ARG 669 Ca 0.21 -0.37 -0.15 0.00 -0.52 0.00 0.00 55.73 54.90 1lqf s ARG 669 Cb -0.09 0.10 -0.05 0.00 0.52 0.00 0.00 34.95 35.43 1lqf s ARG 669 CO 0.12 -0.05 0.36 -2.00 0.02 0.00 0.00 175.30 173.75 1lqf s GLU 670 N -0.99 4.22 -0.08 3.54 2.12 -1.26 -1.18 118.70 125.07 1lqf s GLU 670 Ca -0.11 0.23 0.05 0.00 0.36 0.00 0.00 54.97 55.50 1lqf s GLU 670 Cb -0.07 -3.40 -0.00 0.00 0.26 0.00 0.00 34.13 30.92 1lqf s GLU 670 CO -0.00 0.28 -0.24 0.42 -0.54 0.00 0.00 175.26 175.17 1lqf s ILE 671 N 0.31 2.06 -0.19 -3.70 -1.09 -0.55 -4.86 121.20 113.18 1lqf s ILE 671 Ca 0.20 -1.04 -0.10 0.00 -2.23 0.00 0.00 60.65 57.48 1lqf s ILE 671 Cb -0.14 -1.76 -0.05 0.00 -1.58 0.00 0.00 42.46 38.93 1lqf s ILE 671 CO 0.07 0.56 0.13 -0.76 -1.23 0.00 0.00 174.94 173.72 1lqf s LEU 672 N 0.12 4.22 -0.31 2.97 1.43 0.06 -1.57 118.68 125.60 1lqf s LEU 672 Ca -0.12 0.25 -0.04 0.00 -1.03 0.00 0.00 54.13 53.19 1lqf s LEU 672 Cb -0.16 -2.10 0.04 0.00 0.03 0.00 0.00 46.19 44.00 1lqf s LEU 672 CO 0.07 0.19 0.04 -2.28 0.23 0.00 0.00 176.35 174.60 1lqf s HIS 673 N 0.28 3.22 -0.36 0.29 2.46 -0.48 -0.72 115.29 119.97 1lqf s HIS 673 Ca 0.09 -1.52 -0.12 0.00 0.47 0.00 0.00 55.06 53.98 1lqf s HIS 673 Cb -0.11 -2.19 0.01 0.00 -0.13 0.00 0.00 32.58 30.16 1lqf s HIS 673 CO -0.01 -0.73 0.22 -0.06 -2.47 0.00 0.00 174.74 171.68 1lqf s PHE 674 N 1.36 3.23 -0.36 3.88 0.40 -0.10 -1.18 117.98 125.20 1lqf s PHE 674 Ca -0.02 -0.71 -0.03 0.00 -0.60 0.00 0.00 56.93 55.57 1lqf s PHE 674 Cb -0.19 -2.46 0.08 0.00 0.51 0.00 0.00 43.02 40.96 1lqf s PHE 674 CO 0.01 -0.56 0.12 -1.58 0.70 0.00 0.00 175.22 173.90 1lqf s HIS 675 N 1.61 3.42 -0.24 0.36 2.46 -0.21 0.26 115.29 122.95 1lqf s HIS 675 Ca 0.04 -2.06 -0.29 0.00 0.47 0.00 0.00 55.06 53.22 1lqf s HIS 675 Cb -0.18 -2.68 0.00 0.00 -0.13 0.00 0.00 32.58 29.59 1lqf s HIS 675 CO 0.08 -0.87 1.14 -0.47 -2.47 0.00 0.00 174.74 172.14 1lqf s TYR 676 N 1.23 3.09 -2.68 3.88 5.04 0.82 -0.40 117.35 128.33 1lqf s TYR 676 Ca 0.02 1.21 0.24 0.00 -2.44 0.00 0.00 57.07 56.10 1lqf s TYR 676 Cb -0.21 -3.51 0.37 0.00 0.35 0.00 0.00 41.96 38.97 1lqf s TYR 676 CO -0.02 -1.01 1.37 0.25 -1.34 0.00 0.00 175.55 174.80 1lqf n THR 677 N 5.57 0.27 -2.78 4.34 -2.24 0.70 -4.25 114.28 115.89 1lqf n THR 677 Ca 0.13 -0.61 -0.20 0.00 -2.27 0.00 0.00 64.05 61.10 1lqf n THR 677 Cb 0.46 1.14 -0.01 0.00 -2.10 0.00 0.00 70.33 69.82 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 1.34 1.55 -3.77 4.28 -2.24 -1.17 -4.96 114.28 109.32 1lqf n THR 678 Ca 0.17 -4.43 -0.30 0.00 -2.27 0.00 0.00 64.05 57.23 1lqf n THR 678 Cb 0.58 -0.49 -0.14 0.00 -2.10 0.00 0.00 70.33 68.18 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 -3.16 2.16 0.48 4.78 -0.11 -1.26 -3.72 118.94 118.11 1lqf s TRP 679 Ca 0.40 -2.32 -0.24 0.00 1.22 0.00 0.00 56.10 55.16 1lqf s TRP 679 Cb 0.38 -2.00 -0.07 0.00 -1.50 0.00 0.00 33.47 30.28 1lqf s TRP 679 CO -0.09 -0.83 1.42 -2.14 -4.62 0.00 0.00 176.95 170.70 1lqf s PRO 680 N 0.77 3.50 0.16 5.86 0.02 -1.26 -4.72 135.00 139.33 1lqf s PRO 680 Ca 0.14 2.40 -0.31 0.00 0.02 0.00 0.00 61.00 63.25 1lqf s PRO 680 Cb -0.22 -2.54 -0.11 0.00 0.02 0.00 0.00 34.50 31.66 1lqf s PRO 680 CO -0.08 -0.96 1.70 0.16 -0.33 0.00 0.00 177.00 177.48 1lqf s ASP 681 N -0.60 6.47 0.00 2.53 -4.77 -1.26 -0.72 116.67 118.32 1lqf s ASP 681 Ca 0.64 2.73 0.00 0.00 -3.30 0.00 0.00 52.55 52.62 1lqf s ASP 681 Cb -0.44 -2.59 0.00 0.00 -1.09 0.00 0.00 42.92 38.81 1lqf s ASP 681 CO 0.55 -0.93 0.00 0.49 0.70 0.00 0.00 175.17 175.98 1lqf n PHE 682 N 4.55 0.00 -2.62 2.11 3.01 -1.26 -4.99 117.46 118.27 1lqf n PHE 682 Ca 0.16 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.62 1lqf n PHE 682 Cb 0.37 -0.71 0.00 0.00 -0.01 0.00 0.00 39.48 39.14 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 -1.66 2.55 3.54 1.37 0.00 0.10 -4.92 105.19 106.17 1lqf n GLY 683 Ca 0.00 -2.09 -0.25 0.00 0.00 0.00 0.00 46.02 43.69 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 1.31 1.53 0.62 1.61 -7.23 -1.26 -4.82 120.40 112.16 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 -2.86 -0.02 0.00 0.56 0.00 0.00 36.38 34.06 1lqf s VAL 684 CO 0.00 0.00 1.16 -2.84 -0.31 0.00 0.00 175.10 173.11 1lqf s PRO 685 N -3.81 2.90 0.53 4.82 0.02 -1.26 -4.46 135.00 133.74 1lqf s PRO 685 Ca 0.35 1.64 0.45 0.00 0.02 0.00 0.00 61.00 63.46 1lqf s PRO 685 Cb 0.09 -1.94 1.66 0.00 0.02 0.00 0.00 34.50 34.33 1lqf s PRO 685 CO 0.16 -1.22 1.59 1.49 -0.33 0.00 0.00 177.00 178.70 1lqf h GLU 686 N 0.57 0.01 0.00 5.54 4.22 -1.99 -3.42 114.58 119.50 1lqf h GLU 686 Ca -0.49 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 58.95 1lqf h GLU 686 Cb 1.27 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1lqf h GLU 686 CO 0.54 0.01 0.00 -1.13 -2.18 0.00 0.00 179.01 176.25 1lqf n SER 687 N -4.16 0.00 -0.28 1.04 3.41 -1.26 -5.00 113.62 107.37 1lqf n SER 687 Ca 0.42 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 59.02 1lqf n SER 687 Cb 1.85 0.00 0.18 0.00 -0.26 0.00 0.00 64.21 65.98 1lqf n SER 687 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1lqf h PRO 688 N 0.00 1.13 -0.51 4.33 0.11 -1.96 -2.12 132.00 132.98 1lqf h PRO 688 Ca 0.00 -0.08 0.02 0.00 0.11 0.00 0.00 66.00 66.05 1lqf h PRO 688 Cb 0.00 -0.25 -0.03 0.00 0.11 0.00 0.00 31.00 30.83 1lqf h PRO 688 CO 0.00 0.77 0.30 0.00 -0.21 0.00 0.00 178.00 178.86 1lqf h ALA 689 N 1.44 0.65 -0.42 -0.75 0.00 -1.98 0.46 119.26 118.66 1lqf h ALA 689 Ca 0.31 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 55.07 1lqf h ALA 689 Cb -0.10 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1lqf h ALA 689 CO -0.06 0.00 -0.27 0.66 0.00 0.00 0.00 179.25 179.57 1lqf h SER 690 N 0.60 0.95 0.58 0.00 4.64 -1.87 -1.39 113.55 117.06 1lqf h SER 690 Ca 0.21 -0.38 -0.03 0.00 -0.47 0.00 0.00 61.79 61.12 1lqf h SER 690 Cb 0.03 -0.26 0.01 0.00 -0.31 0.00 0.00 62.40 61.86 1lqf h SER 690 CO -0.10 1.15 -0.28 0.15 -0.87 0.00 0.00 176.83 176.89 1lqf h PHE 691 N 0.77 -0.72 -0.16 4.77 3.57 -0.85 -1.91 116.94 122.41 1lqf h PHE 691 Ca 0.09 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.60 1lqf h PHE 691 Cb 0.84 0.24 -0.03 0.00 2.79 0.00 0.00 35.95 39.79 1lqf h PHE 691 CO 0.05 -0.43 -0.03 -0.07 -2.23 0.00 0.00 178.31 175.60 1lqf h LEU 692 N -0.82 -0.12 -0.77 0.59 3.38 -0.10 0.09 115.31 117.56 1lqf h LEU 692 Ca -0.08 0.04 0.17 0.00 0.09 0.00 0.00 57.88 58.11 1lqf h LEU 692 Cb 0.61 0.09 -0.12 0.00 0.09 0.00 0.00 40.66 41.34 1lqf h LEU 692 CO 0.13 -0.04 0.20 -1.13 0.09 0.00 0.00 178.44 177.69 1lqf h ASN 693 N 0.02 0.02 -0.10 -0.43 -0.00 -1.20 0.33 115.58 114.22 1lqf h ASN 693 Ca 0.08 0.15 -0.00 0.00 -0.00 0.00 0.00 56.30 56.53 1lqf h ASN 693 Cb 0.11 0.21 -0.00 0.00 -0.00 0.00 0.00 38.32 38.63 1lqf h ASN 693 CO -0.16 -0.05 0.06 0.15 -0.00 0.00 0.00 177.43 177.43 1lqf h PHE 694 N 0.27 0.14 -0.43 0.67 3.57 -0.41 -1.76 116.94 118.99 1lqf h PHE 694 Ca 0.44 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 62.01 1lqf h PHE 694 Cb 0.78 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.45 1lqf h PHE 694 CO -0.26 0.16 0.30 1.25 -2.23 0.00 0.00 178.31 177.53 1lqf h LEU 695 N 0.08 0.26 -0.43 0.59 5.85 0.74 -1.96 115.31 120.44 1lqf h LEU 695 Ca 0.04 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.58 1lqf h LEU 695 Cb 0.07 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.04 1lqf h LEU 695 CO -0.01 0.17 -0.65 -0.26 -0.34 0.00 0.00 178.44 177.35 1lqf h PHE 696 N 0.29 0.68 0.12 1.25 -1.00 -0.37 0.32 116.94 118.22 1lqf h PHE 696 Ca 0.19 -0.27 -0.01 0.00 2.81 0.00 0.00 57.97 60.70 1lqf h PHE 696 Cb 0.39 -0.12 0.00 0.00 3.61 0.00 0.00 35.95 39.84 1lqf h PHE 696 CO -0.00 1.03 -0.06 0.87 -1.61 0.00 0.00 178.31 178.54 1lqf h LYS 697 N 0.38 -0.15 0.37 1.51 1.79 -0.63 0.71 116.57 120.55 1lqf h LYS 697 Ca -0.02 0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1lqf h LYS 697 Cb 1.22 0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 31.88 1lqf h LYS 697 CO 0.12 -0.04 -0.41 0.28 -1.08 0.00 0.00 179.45 178.31 1lqf h VAL 698 N -0.22 0.17 -0.08 0.50 2.07 -1.20 -2.20 116.25 115.28 1lqf h VAL 698 Ca -0.02 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.54 1lqf h VAL 698 Cb 0.18 0.17 -0.05 0.00 -1.52 0.00 0.00 31.29 30.06 1lqf h VAL 698 CO 0.03 0.00 -0.23 0.03 0.02 0.00 0.00 177.57 177.42 1lqf h ARG 699 N -0.82 -0.31 0.00 1.57 3.08 -0.25 -2.09 114.38 115.57 1lqf h ARG 699 Ca -0.03 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1lqf h ARG 699 Cb 0.74 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.86 1lqf h ARG 699 CO -0.09 -0.20 0.00 1.05 -1.07 0.00 0.00 179.97 179.66 1lqf h GLU 700 N -0.32 0.00 0.00 0.04 4.11 -0.73 -1.71 114.58 115.98 1lqf h GLU 700 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.51 1lqf h GLU 700 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1lqf h GLU 700 CO -0.26 0.00 0.00 -1.13 0.07 0.00 0.00 179.01 177.69 1lqf n SER 701 N -2.50 0.00 0.00 3.06 3.41 -0.78 -4.87 113.62 111.93 1lqf n SER 701 Ca -0.01 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 1lqf n SER 701 Cb 0.07 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.61 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 1.12 0.93 0.28 5.00 0.00 -0.64 -4.88 105.19 107.00 1lqf n GLY 702 Ca 0.09 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.26 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 0.09 1.61 0.02 -1.77 -0.28 113.55 113.22 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 0.07 -0.14 0.18 -1.14 0.00 0.00 176.83 175.80 1lqf n LEU 704 N -3.48 1.44 -4.72 5.07 4.77 -1.26 -4.36 117.00 114.46 1lqf n LEU 704 Ca -0.02 -0.45 -0.42 0.00 -0.03 0.00 0.00 56.01 55.09 1lqf n LEU 704 Cb 0.20 -0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.23 1lqf n LEU 704 CO 0.28 0.25 0.98 -0.24 -1.33 0.00 0.00 177.39 177.33 1lqf n SER 705 N -0.10 3.05 0.00 -1.43 2.88 -0.12 -4.89 113.62 113.00 1lqf n SER 705 Ca 0.15 1.21 0.11 0.00 -1.33 0.00 0.00 58.87 59.00 1lqf n SER 705 Cb 0.38 -1.52 0.53 0.00 -0.75 0.00 0.00 64.21 62.85 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 0.69 0.21 -0.00 -1.46 -0.04 -1.26 -2.26 135.00 130.88 1lqf n PRO 706 Ca 0.04 0.09 0.15 0.00 -0.04 0.00 0.00 63.50 63.75 1lqf n PRO 706 Cb 0.36 -1.50 0.91 0.00 -0.04 0.00 0.00 33.50 33.23 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 -1.36 1.03 -4.70 0.54 0.28 -1.26 -4.81 120.64 110.36 1lqf n GLU 707 Ca 0.09 -0.04 -0.32 0.00 -0.16 0.00 0.00 57.16 56.73 1lqf n GLU 707 Cb 0.21 -1.49 -0.08 0.00 1.43 0.00 0.00 31.44 31.51 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 1.99 0.61 -1.84 3.76 -0.96 -5.13 115.29 111.73 1lqf s HIS 708 Ca 0.46 -0.89 -0.12 0.00 -0.15 0.00 0.00 55.06 54.36 1lqf s HIS 708 Cb 0.21 -1.66 -0.04 0.00 1.11 0.00 0.00 32.58 32.20 1lqf s HIS 708 CO 0.36 0.25 1.03 0.20 -0.85 0.00 0.00 174.74 175.73 1lqf s GLY 709 N -3.86 1.73 0.38 -2.22 0.00 0.39 -4.97 107.32 98.77 1lqf s GLY 709 Ca 0.13 -0.02 -0.27 0.00 0.00 0.00 0.00 44.72 44.55 1lqf s GLY 709 CO 0.07 0.26 1.35 -1.55 0.00 0.00 0.00 173.10 173.23 1lqf n PRO 710 N -2.62 2.25 -2.07 2.90 -0.04 -1.26 -4.36 135.00 129.81 1lqf n PRO 710 Ca 0.06 0.79 -0.37 0.00 -0.04 0.00 0.00 63.50 63.95 1lqf n PRO 710 Cb 0.54 -2.46 0.02 0.00 -0.04 0.00 0.00 33.50 31.56 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 -1.13 2.73 -0.25 0.52 0.11 -1.26 -4.48 120.40 116.64 1lqf s VAL 711 Ca 0.56 0.49 -0.13 0.00 -2.93 0.00 0.00 61.98 59.98 1lqf s VAL 711 Cb -0.52 -3.22 -0.04 0.00 -1.53 0.00 0.00 36.38 31.06 1lqf s VAL 711 CO 0.61 -0.06 0.27 -0.69 -3.33 0.00 0.00 175.10 171.91 1lqf s VAL 712 N -1.55 5.26 -0.06 2.04 1.01 -0.87 -1.78 120.40 124.46 1lqf s VAL 712 Ca 0.72 0.39 0.05 0.00 0.00 0.00 0.00 61.98 63.14 1lqf s VAL 712 Cb -0.31 -3.61 -0.02 0.00 0.00 0.00 0.00 36.38 32.45 1lqf s VAL 712 CO 0.35 0.25 -0.20 -0.69 0.00 0.00 0.00 175.10 174.82 1lqf s VAL 713 N 1.56 2.53 0.17 2.92 1.01 0.10 -0.18 120.40 128.51 1lqf s VAL 713 Ca 0.12 -0.90 -0.21 0.00 0.00 0.00 0.00 61.98 60.99 1lqf s VAL 713 Cb -0.15 -1.96 0.05 0.00 0.00 0.00 0.00 36.38 34.32 1lqf s VAL 713 CO 0.08 0.57 0.57 -1.38 0.00 0.00 0.00 175.10 174.94 1lqf s HIS 714 N -0.33 -0.38 0.00 5.22 -3.43 -0.54 -1.66 115.29 114.17 1lqf s HIS 714 Ca 0.02 0.11 0.00 0.00 -0.80 0.00 0.00 55.06 54.39 1lqf s HIS 714 Cb -0.13 0.50 0.00 0.00 -1.43 0.00 0.00 32.58 31.52 1lqf s HIS 714 CO 0.02 -0.87 0.00 0.00 -2.00 0.00 0.00 174.74 171.89 1lqf n SER 716 N 0.00 1.91 -0.01 0.00 2.88 -1.26 -1.88 113.62 115.26 1lqf n SER 716 Ca 0.00 0.38 0.10 0.00 -1.33 0.00 0.00 58.87 58.03 1lqf n SER 716 Cb 0.00 -0.87 -0.15 0.00 -0.75 0.00 0.00 64.21 62.44 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 -3.92 3.34 -2.68 -1.46 0.00 -1.26 -0.59 120.51 113.93 1lqf n ALA 717 Ca -0.42 -0.52 -0.08 0.00 0.00 0.00 0.00 53.44 52.42 1lqf n ALA 717 Cb 0.76 -0.73 0.02 0.00 0.00 0.00 0.00 19.45 19.50 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 1.36 0.32 0.36 0.00 0.00 -1.25 -4.00 105.19 101.98 1lqf n GLY 718 Ca -0.02 -0.41 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 -3.57 0.00 0.00 -0.61 -5.35 -1.26 -4.46 119.36 104.10 1lqf n ILE 719 Ca -0.02 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.46 1lqf n ILE 719 Cb 0.53 -0.10 0.00 0.00 -1.74 0.00 0.00 39.64 38.33 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 1.53 -0.73 0.35 3.28 0.00 -1.26 -0.67 105.19 107.69 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 1.18 -0.52 1.61 3.08 -1.95 -2.36 114.38 115.43 1lqf h ARG 721 Ca 0.00 -0.14 -0.06 0.00 0.07 0.00 0.00 59.98 59.85 1lqf h ARG 721 Cb 0.00 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 29.80 1lqf h ARG 721 CO 0.00 0.88 0.10 0.77 -1.07 0.00 0.00 179.97 180.64 1lqf h SER 722 N 1.19 0.81 -0.94 7.04 0.02 -1.88 -1.15 113.55 118.63 1lqf h SER 722 Ca 0.30 -0.25 0.01 0.00 -0.84 0.00 0.00 61.79 61.00 1lqf h SER 722 Cb 0.05 -0.21 -0.05 0.00 0.14 0.00 0.00 62.40 62.33 1lqf h SER 722 CO -0.05 0.85 0.61 1.23 -1.14 0.00 0.00 176.83 178.34 1lqf h GLY 723 N 0.73 1.33 0.92 -3.77 0.00 -1.15 -0.71 103.07 100.40 1lqf h GLY 723 Ca 0.16 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 1lqf h GLY 723 CO 0.01 0.50 0.10 -0.84 0.00 0.00 0.00 176.54 176.31 1lqf h THR 724 N 1.27 1.14 0.09 4.70 2.02 -1.11 0.36 112.91 121.38 1lqf h THR 724 Ca 0.34 -0.41 0.01 0.00 0.77 0.00 0.00 66.41 67.12 1lqf h THR 724 Cb -0.13 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 1lqf h THR 724 CO -0.07 0.14 -0.11 0.15 0.37 0.00 0.00 175.52 175.99 1lqf h PHE 725 N 0.22 -0.29 -0.57 3.16 3.57 -0.64 -1.94 116.94 120.45 1lqf h PHE 725 Ca 0.07 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.47 1lqf h PHE 725 Cb 0.13 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 1lqf h PHE 725 CO -0.02 -0.18 -0.08 0.00 -2.23 0.00 0.00 178.31 175.80 1lqf h LEU 727 N 0.94 -0.19 0.22 0.00 5.85 -0.80 0.19 115.31 121.53 1lqf h LEU 727 Ca 0.15 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.93 1lqf h LEU 727 Cb 0.65 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.78 1lqf h LEU 727 CO 0.05 -0.07 -0.28 0.00 -0.34 0.00 0.00 178.44 177.80 1lqf h ALA 728 N 1.15 -0.55 -0.01 1.25 0.00 -1.25 0.38 119.26 120.25 1lqf h ALA 728 Ca 0.09 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1lqf h ALA 728 Cb 0.14 0.42 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 1lqf h ALA 728 CO -0.19 -0.85 -0.34 0.22 0.00 0.00 0.00 179.25 178.10 1lqf h ASP 729 N -0.56 -1.03 -0.24 0.00 3.58 -0.95 -0.69 116.42 116.53 1lqf h ASP 729 Ca 0.00 0.13 0.05 0.00 0.42 0.00 0.00 57.03 57.63 1lqf h ASP 729 Cb 0.54 0.41 -0.05 0.00 1.72 0.00 0.00 39.33 41.95 1lqf h ASP 729 CO -0.10 -0.40 -0.06 0.74 -2.88 0.00 0.00 179.24 176.54 1lqf h THR 730 N -0.49 0.76 -0.30 2.25 2.02 -0.41 -2.06 112.91 114.68 1lqf h THR 730 Ca 0.06 -0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.29 1lqf h THR 730 Cb 0.58 0.76 -0.05 0.00 -1.74 0.00 0.00 68.15 67.71 1lqf h THR 730 CO -0.28 0.00 0.01 0.00 0.37 0.00 0.00 175.52 175.62 1lqf h LEU 732 N 0.10 0.12 0.38 0.00 3.38 -0.80 -1.24 115.31 117.26 1lqf h LEU 732 Ca 0.15 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 1lqf h LEU 732 Cb 0.19 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1lqf h LEU 732 CO -0.24 0.07 -0.18 -0.07 0.09 0.00 0.00 178.44 178.11 1lqf h LEU 733 N 0.13 -0.44 -1.47 1.67 3.38 -0.33 -2.81 115.31 115.45 1lqf h LEU 733 Ca 0.21 -0.13 0.26 0.00 0.09 0.00 0.00 57.88 58.30 1lqf h LEU 733 Cb 0.65 0.11 -0.08 0.00 0.09 0.00 0.00 40.66 41.43 1lqf h LEU 733 CO -0.03 -0.03 0.67 -0.07 0.09 0.00 0.00 178.44 179.07 1lqf h LEU 734 N -0.93 0.39 -0.10 1.67 3.38 -0.16 -0.58 115.31 118.98 1lqf h LEU 734 Ca -0.05 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1lqf h LEU 734 Cb 0.54 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 1lqf h LEU 734 CO 0.09 0.10 -0.05 0.24 0.09 0.00 0.00 178.44 178.90 1lqf h MET 735 N 0.36 0.21 -0.45 1.13 2.86 -1.23 -1.12 114.93 116.68 1lqf h MET 735 Ca 0.56 -0.09 -0.02 0.00 -2.06 0.00 0.00 59.70 58.09 1lqf h MET 735 Cb 1.49 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 33.13 1lqf h MET 735 CO -0.24 0.56 0.22 0.22 1.06 0.00 0.00 176.91 178.73 1lqf h ASP 736 N -0.15 0.56 0.09 1.22 1.82 -0.91 -3.19 116.42 115.86 1lqf h ASP 736 Ca 0.02 -0.05 -0.15 0.00 -0.39 0.00 0.00 57.03 56.46 1lqf h ASP 736 Cb 0.50 -0.14 0.02 0.00 0.68 0.00 0.00 39.33 40.39 1lqf h ASP 736 CO 0.01 0.48 -0.65 0.50 -1.61 0.00 0.00 179.24 177.98 1lqf h LYS 737 N 0.63 0.29 -7.07 0.28 3.64 -1.10 -3.46 116.57 109.78 1lqf h LYS 737 Ca 0.16 -0.43 -0.48 0.00 -1.27 0.00 0.00 60.65 58.64 1lqf h LYS 737 Cb 0.07 0.15 0.03 0.00 -0.41 0.00 0.00 32.23 32.07 1lqf h LYS 737 CO -0.02 1.17 0.40 1.03 -2.27 0.00 0.00 179.45 179.75 1lqf s ARG 738 N -2.63 3.73 0.12 1.90 0.52 -0.43 -4.94 118.95 117.22 1lqf s ARG 738 Ca -0.14 1.43 -0.21 0.00 -0.52 0.00 0.00 55.73 56.29 1lqf s ARG 738 Cb 0.01 -2.11 -0.07 0.00 0.52 0.00 0.00 34.95 33.30 1lqf s ARG 738 CO 0.81 -0.50 1.72 1.57 0.02 0.00 0.00 175.30 178.93 1lqf h LYS 739 N 1.55 0.03 -4.70 3.54 5.09 -1.90 -3.36 116.57 116.83 1lqf h LYS 739 Ca -0.50 -0.00 -0.69 0.00 0.09 0.00 0.00 60.65 59.55 1lqf h LYS 739 Cb 1.23 -0.01 -0.26 0.00 0.10 0.00 0.00 32.23 33.29 1lqf h LYS 739 CO 0.59 0.02 -0.58 0.34 -2.09 0.00 0.00 179.45 177.72 1lqf s ASP 740 N -5.22 5.38 0.53 7.07 2.15 -1.26 -4.98 116.67 120.34 1lqf s ASP 740 Ca -0.13 -0.94 0.19 0.00 0.43 0.00 0.00 52.55 52.10 1lqf s ASP 740 Cb 0.09 -1.92 1.37 0.00 -0.30 0.00 0.00 42.92 42.16 1lqf s ASP 740 CO 0.68 -0.29 2.16 -0.65 -0.17 0.00 0.00 175.17 176.90 1lqf h PRO 741 N 8.29 0.00 -0.55 4.34 0.11 -1.74 -3.20 132.00 139.24 1lqf h PRO 741 Ca -0.27 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.80 1lqf h PRO 741 Cb 1.10 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1lqf h PRO 741 CO 0.62 0.01 0.19 0.77 -0.21 0.00 0.00 178.00 179.39 1lqf h SER 742 N 0.00 0.79 0.00 -2.05 0.02 -1.93 -3.06 113.55 107.33 1lqf h SER 742 Ca -0.00 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 1lqf h SER 742 Cb 0.03 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.36 1lqf h SER 742 CO 0.00 0.77 0.31 -1.54 -1.14 0.00 0.00 176.83 175.24 1lqf n SER 743 N -4.47 0.00 -4.63 3.07 3.41 -1.21 -4.47 113.62 105.32 1lqf n SER 743 Ca 0.03 0.13 -0.43 0.00 -0.26 0.00 0.00 58.87 58.33 1lqf n SER 743 Cb 0.19 -0.13 -0.02 0.00 -0.26 0.00 0.00 64.21 63.99 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 -2.17 4.01 -0.69 -3.33 1.01 -1.16 -4.97 120.40 113.11 1lqf s VAL 744 Ca 0.00 1.15 -0.17 0.00 0.00 0.00 0.00 61.98 62.96 1lqf s VAL 744 Cb 0.00 -4.01 0.15 0.00 0.00 0.00 0.00 36.38 32.52 1lqf s VAL 744 CO 0.00 -0.40 0.72 -0.62 0.00 0.00 0.00 175.10 174.80 1lqf s ASP 745 N 3.17 6.42 0.28 3.32 -1.08 -1.26 -4.93 116.67 122.58 1lqf s ASP 745 Ca 0.61 -1.99 0.01 0.00 -0.52 0.00 0.00 52.55 50.66 1lqf s ASP 745 Cb -0.19 -2.26 0.65 0.00 -1.46 0.00 0.00 42.92 39.65 1lqf s ASP 745 CO 0.24 -0.87 1.70 0.40 0.52 0.00 0.00 175.17 177.16 1lqf h ILE 746 N 5.55 0.50 -0.25 4.11 1.08 -1.94 -1.16 117.51 125.39 1lqf h ILE 746 Ca -0.12 -0.13 -0.01 0.00 -0.39 0.00 0.00 64.86 64.21 1lqf h ILE 746 Cb 1.07 0.08 -0.01 0.00 -3.07 0.00 0.00 36.82 34.89 1lqf h ILE 746 CO 0.98 0.07 0.12 0.50 -0.69 0.00 0.00 178.15 179.12 1lqf h LYS 747 N 0.38 0.36 -0.57 2.37 3.64 -2.00 -1.99 116.57 118.76 1lqf h LYS 747 Ca 0.52 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.85 1lqf h LYS 747 Cb 0.95 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.67 1lqf h LYS 747 CO -0.52 0.37 0.38 -0.22 -2.27 0.00 0.00 179.45 177.19 1lqf h LYS 748 N 0.27 0.75 -0.58 1.90 3.64 -1.68 -2.17 116.57 118.71 1lqf h LYS 748 Ca 0.09 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 1lqf h LYS 748 Cb 0.13 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 1lqf h LYS 748 CO -0.01 0.50 0.32 0.28 -2.27 0.00 0.00 179.45 178.27 1lqf h VAL 749 N 0.78 1.19 -0.45 2.00 2.07 -1.17 -1.32 116.25 119.34 1lqf h VAL 749 Ca 0.21 -0.48 -0.08 0.00 0.82 0.00 0.00 66.70 67.17 1lqf h VAL 749 Cb -0.09 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.11 1lqf h VAL 749 CO -0.05 0.20 -0.04 0.25 0.02 0.00 0.00 177.57 177.96 1lqf h LEU 750 N 0.78 0.75 -0.73 2.57 5.85 -1.18 0.00 115.31 123.35 1lqf h LEU 750 Ca 0.20 -0.19 -0.12 0.00 0.84 0.00 0.00 57.88 58.61 1lqf h LEU 750 Cb 0.04 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 1lqf h LEU 750 CO -0.03 0.84 -0.35 -0.07 -0.34 0.00 0.00 178.44 178.49 1lqf h LEU 751 N 0.71 0.59 -0.45 2.25 3.38 -1.19 0.17 115.31 120.78 1lqf h LEU 751 Ca 0.13 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 1lqf h LEU 751 Cb 0.49 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1lqf h LEU 751 CO 0.03 0.89 0.03 -0.08 0.09 0.00 0.00 178.44 179.40 1lqf h GLU 752 N 0.48 0.78 -0.70 1.13 4.81 -0.76 -2.92 114.58 117.39 1lqf h GLU 752 Ca 0.05 -0.23 -0.07 0.00 -0.13 0.00 0.00 59.36 58.97 1lqf h GLU 752 Cb 0.83 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.10 1lqf h GLU 752 CO 0.07 0.82 0.15 1.98 -0.73 0.00 0.00 179.01 181.30 1lqf h MET 753 N 0.63 1.14 0.00 1.92 4.05 -0.68 -2.29 114.93 119.70 1lqf h MET 753 Ca 0.13 -0.29 0.00 0.00 -0.28 0.00 0.00 59.70 59.26 1lqf h MET 753 Cb 0.45 -0.14 0.00 0.00 -0.80 0.00 0.00 31.60 31.11 1lqf h MET 753 CO 0.02 1.02 0.00 0.54 0.23 0.00 0.00 176.91 178.71 1lqf n ARG 754 N -4.22 0.24 0.26 0.39 1.74 0.58 -1.76 116.66 113.89 1lqf n ARG 754 Ca 0.05 0.11 0.16 0.00 -0.77 0.00 0.00 57.85 57.40 1lqf n ARG 754 Cb 0.28 -1.50 0.58 0.00 -1.02 0.00 0.00 32.46 30.80 1lqf n ARG 754 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1lqf h LYS 755 N 0.00 0.00 0.00 5.56 1.57 -1.30 -3.25 116.57 119.15 1lqf h LYS 755 Ca 0.00 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.59 1lqf h LYS 755 Cb 0.07 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.34 1lqf h LYS 755 CO 0.00 0.02 -2.20 1.19 -0.57 0.00 0.00 179.45 177.89 1lqf n PHE 756 N -3.12 0.01 -3.74 -1.35 3.01 -0.72 -4.98 117.46 106.57 1lqf n PHE 756 Ca 0.01 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.34 1lqf n PHE 756 Cb 0.35 -0.77 -0.09 0.00 -0.01 0.00 0.00 39.48 38.96 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 -2.98 0.58 0.64 -1.08 3.52 -1.23 -4.47 118.95 113.94 1lqf s ARG 757 Ca -0.09 0.20 -0.12 0.00 -0.13 0.00 0.00 55.73 55.60 1lqf s ARG 757 Cb 0.10 0.27 -0.02 0.00 -1.56 0.00 0.00 34.95 33.73 1lqf s ARG 757 CO 0.87 -0.13 1.04 0.00 -0.81 0.00 0.00 175.30 176.27 1lqf s MET 758 N -0.55 3.34 -0.75 5.12 0.23 -1.26 -4.34 119.30 121.08 1lqf s MET 758 Ca -0.07 0.89 -0.01 0.00 -1.03 0.00 0.00 55.69 55.48 1lqf s MET 758 Cb -0.04 -2.04 0.01 0.00 -1.53 0.00 0.00 34.83 31.23 1lqf s MET 758 CO 0.03 -0.78 0.04 0.41 -2.03 0.00 0.00 175.02 172.68 1lqf n GLY 759 N -2.18 -0.50 3.67 3.16 0.00 -1.26 -4.86 105.19 103.22 1lqf n GLY 759 Ca 0.07 0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 -5.49 4.37 0.00 0.99 1.43 -1.26 -4.22 118.68 114.50 1lqf s LEU 760 Ca 0.03 2.46 0.00 0.00 -1.03 0.00 0.00 54.13 55.60 1lqf s LEU 760 Cb -0.02 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.66 1lqf s LEU 760 CO 0.04 -0.95 0.00 -0.38 0.23 0.00 0.00 176.35 175.29 1lqf n ILE 761 N 5.17 -2.36 0.60 -0.59 5.41 0.16 -4.92 119.36 122.83 1lqf n ILE 761 Ca 0.17 0.10 0.11 0.00 1.00 0.00 0.00 62.75 64.13 1lqf n ILE 761 Cb 0.41 -2.97 -0.01 0.00 -0.71 0.00 0.00 39.64 36.36 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 0.06 0.27 -4.31 0.38 1.13 -1.26 -4.90 117.38 108.75 1lqf n GLN 762 Ca 0.00 -0.02 -0.16 0.00 -1.94 0.00 0.00 57.00 54.87 1lqf n GLN 762 Cb 0.00 -1.57 -0.10 0.00 0.11 0.00 0.00 30.24 28.68 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 -3.19 0.89 0.28 5.09 -4.23 -1.26 -5.01 115.64 108.21 1lqf s THR 763 Ca 0.03 -2.02 0.13 0.00 -1.18 0.00 0.00 61.69 58.66 1lqf s THR 763 Cb 0.15 -2.35 0.04 0.00 1.34 0.00 0.00 72.50 71.67 1lqf s THR 763 CO 0.82 -0.30 1.70 0.00 -0.54 0.00 0.00 174.62 176.30 1lqf h ALA 764 N 2.49 1.09 0.00 3.99 0.00 -1.94 -2.74 119.26 122.17 1lqf h ALA 764 Ca -0.38 -0.46 -0.08 0.00 0.00 0.00 0.00 54.91 54.00 1lqf h ALA 764 Cb 1.22 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1lqf h ALA 764 CO 0.64 0.63 -0.36 0.22 0.00 0.00 0.00 179.25 180.37 1lqf h ASP 765 N 0.00 0.00 0.11 0.00 3.58 -1.96 -1.66 116.42 116.50 1lqf h ASP 765 Ca -0.01 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.28 1lqf h ASP 765 Cb 0.93 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.97 1lqf h ASP 765 CO 0.07 0.36 -0.61 1.56 -2.88 0.00 0.00 179.24 177.74 1lqf h GLN 766 N 0.00 0.49 -0.42 0.28 4.20 -1.83 0.65 115.11 118.47 1lqf h GLN 766 Ca -0.00 -0.34 -0.04 0.00 0.06 0.00 0.00 58.65 58.33 1lqf h GLN 766 Cb 1.26 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 29.08 1lqf h GLN 766 CO 0.05 0.95 0.10 1.25 -0.67 0.00 0.00 178.83 180.51 1lqf h LEU 767 N 0.37 0.65 0.62 1.46 5.85 -1.32 -1.43 115.31 121.50 1lqf h LEU 767 Ca -0.01 -0.24 -0.03 0.00 0.84 0.00 0.00 57.88 58.45 1lqf h LEU 767 Cb 1.16 -0.17 0.01 0.00 0.37 0.00 0.00 40.66 42.02 1lqf h LEU 767 CO 0.11 0.72 -0.30 -0.09 -0.34 0.00 0.00 178.44 178.54 1lqf h ARG 768 N 0.55 -0.80 -0.51 1.25 2.43 -1.10 -2.03 114.38 114.17 1lqf h ARG 768 Ca 0.13 0.05 0.15 0.00 -0.81 0.00 0.00 59.98 59.50 1lqf h ARG 768 Cb 0.33 0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 1lqf h ARG 768 CO 0.00 -0.54 0.70 0.35 -1.51 0.00 0.00 179.97 178.97 1lqf h PHE 769 N -0.84 0.00 -0.01 2.20 3.57 -0.89 0.53 116.94 121.51 1lqf h PHE 769 Ca -0.09 0.00 -0.18 0.00 3.53 0.00 0.00 57.97 61.23 1lqf h PHE 769 Cb 0.64 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.36 1lqf h PHE 769 CO 0.09 0.00 -0.82 0.77 -2.23 0.00 0.00 178.31 176.12 1lqf h SER 770 N 0.00 0.18 0.01 0.41 0.02 -0.55 -1.16 113.55 112.45 1lqf h SER 770 Ca 0.24 -0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1lqf h SER 770 Cb 1.63 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 64.12 1lqf h SER 770 CO -0.00 0.91 -0.01 1.88 -1.14 0.00 0.00 176.83 178.48 1lqf h TYR 771 N 0.08 -0.01 -0.06 3.45 -1.99 0.53 -2.90 116.97 116.08 1lqf h TYR 771 Ca -0.03 -0.00 0.02 0.00 2.00 0.00 0.00 58.73 60.73 1lqf h TYR 771 Cb 1.42 0.00 -0.06 0.00 2.00 0.00 0.00 36.73 40.10 1lqf h TYR 771 CO 0.02 0.52 -0.54 1.25 -0.00 0.00 0.00 178.16 179.41 1lqf h LEU 772 N -0.55 -1.68 -1.26 3.88 5.85 -1.36 0.17 115.31 120.36 1lqf h LEU 772 Ca -0.00 0.19 0.06 0.00 0.84 0.00 0.00 57.88 58.97 1lqf h LEU 772 Cb 0.54 0.65 -0.05 0.00 0.37 0.00 0.00 40.66 42.16 1lqf h LEU 772 CO 0.00 -0.51 0.53 0.00 -0.34 0.00 0.00 178.44 178.13 1lqf h ALA 773 N -0.36 1.59 0.18 1.25 0.00 -1.31 0.72 119.26 121.34 1lqf h ALA 773 Ca 0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1lqf h ALA 773 Cb 0.71 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1lqf h ALA 773 CO -0.39 0.29 -0.09 0.28 0.00 0.00 0.00 179.25 179.34 1lqf h VAL 774 N 0.91 0.93 -0.38 0.00 2.07 -1.23 0.34 116.25 118.89 1lqf h VAL 774 Ca 0.35 -0.72 0.05 0.00 0.82 0.00 0.00 66.70 67.20 1lqf h VAL 774 Cb 0.19 1.35 -0.05 0.00 -1.52 0.00 0.00 31.29 31.27 1lqf h VAL 774 CO -0.12 0.16 0.12 0.40 0.02 0.00 0.00 177.57 178.15 1lqf h ILE 775 N -0.61 0.86 0.53 4.57 2.04 0.13 0.23 117.51 125.26 1lqf h ILE 775 Ca -0.02 -0.09 -0.03 0.00 1.00 0.00 0.00 64.86 65.72 1lqf h ILE 775 Cb 0.45 0.57 0.01 0.00 -0.74 0.00 0.00 36.82 37.11 1lqf h ILE 775 CO 0.04 0.05 -0.25 -0.08 0.00 0.00 0.00 178.15 177.91 1lqf h GLU 776 N 0.26 -0.68 0.00 2.37 4.81 0.40 -2.72 114.58 119.02 1lqf h GLU 776 Ca 0.18 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 1lqf h GLU 776 Cb 0.18 0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1lqf h GLU 776 CO -0.20 -0.39 0.12 0.78 -0.73 0.00 0.00 179.01 178.59 1lqf h GLY 777 N -1.09 0.00 2.00 1.92 0.00 -0.87 0.12 103.07 105.16 1lqf h GLY 777 Ca -0.07 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.21 1lqf h GLY 777 CO 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 176.54 176.41 1lqf h ALA 778 N 1.72 1.49 0.01 3.60 0.00 -0.20 -3.12 119.26 122.76 1lqf h ALA 778 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1lqf h ALA 778 Cb 0.23 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1lqf h ALA 778 CO 0.00 0.31 -0.04 0.87 0.00 0.00 0.00 179.25 180.39 1lqf h LYS 779 N 0.00 -0.06 -0.21 0.00 1.57 -0.78 -2.01 116.57 115.07 1lqf h LYS 779 Ca -0.00 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.83 1lqf h LYS 779 Cb 0.47 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.74 1lqf h LYS 779 CO 0.03 -0.04 -0.09 0.74 -0.57 0.00 0.00 179.45 179.52 1lqf h PHE 780 N -0.06 -0.22 0.04 -1.35 0.04 -1.74 -2.04 116.94 111.61 1lqf h PHE 780 Ca -0.00 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.79 1lqf h PHE 780 Cb 0.06 0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.33 1lqf h PHE 780 CO -0.31 -0.15 -0.11 0.82 -0.60 0.00 0.00 178.31 177.96 1lqf h ILE 781 N -0.06 0.00 0.00 -0.55 1.08 -1.54 -0.83 117.51 115.61 1lqf h ILE 781 Ca 0.11 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.58 1lqf h ILE 781 Cb 0.24 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.99 1lqf h ILE 781 CO -0.26 0.00 0.00 1.15 -0.69 0.00 0.00 178.15 178.35 1lqf n MET 782 N -3.02 0.33 -0.24 2.37 0.00 -0.76 -5.05 117.12 110.75 1lqf n MET 782 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.68 1lqf n MET 782 Cb 0.09 -1.37 0.00 0.00 0.00 0.00 0.00 33.22 31.93 1lqf n MET 782 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38