#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qoh s ASP 503 N 0.00 6.39 0.10 0.00 1.11 -1.26 -1.44 116.67 121.56 1qoh s ASP 503 Ca 0.00 -1.33 -0.16 0.00 0.18 0.00 0.00 52.55 51.24 1qoh s ASP 503 Cb 0.00 -2.47 -0.07 0.00 1.07 0.00 0.00 42.92 41.45 1qoh s ASP 503 CO 0.00 -1.41 1.46 0.00 1.18 0.00 0.00 175.17 176.40 1qoh s ALA 505 N -4.60 -1.04 -0.15 0.00 0.00 -1.22 -4.98 121.76 109.77 1qoh s ALA 505 Ca -0.13 0.32 -0.07 0.00 0.00 0.00 0.00 51.96 52.07 1qoh s ALA 505 Cb 0.08 0.38 0.06 0.00 0.00 0.00 0.00 23.12 23.64 1qoh s ALA 505 CO 0.80 -0.48 0.34 0.21 0.00 0.00 0.00 175.76 176.63 1qoh s LYS 506 N -2.58 0.30 0.00 0.00 2.20 -1.26 -1.12 119.74 117.29 1qoh s LYS 506 Ca -0.05 0.71 0.00 0.00 -0.36 0.00 0.00 55.97 56.28 1qoh s LYS 506 Cb -0.01 -0.03 0.00 0.00 -1.51 0.00 0.00 37.83 36.28 1qoh s LYS 506 CO -0.03 -0.18 0.00 0.41 -0.36 0.00 0.00 175.35 175.19 1qoh n GLY 507 N 4.42 -0.97 3.84 5.54 0.00 -0.78 -4.68 105.19 112.56 1qoh n GLY 507 Ca -0.22 -1.24 -0.32 0.00 0.00 0.00 0.00 46.02 44.24 1qoh n GLY 507 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qoh s LYS 508 N -2.00 3.72 -0.25 1.61 -0.14 -1.26 -1.62 119.74 119.80 1qoh s LYS 508 Ca 0.00 0.97 -0.28 0.00 -1.36 0.00 0.00 55.97 55.30 1qoh s LYS 508 Cb 0.00 -2.10 0.01 0.00 -1.68 0.00 0.00 37.83 34.06 1qoh s LYS 508 CO 0.00 -0.46 1.00 0.42 -0.76 0.00 0.00 175.35 175.55 1qoh s ILE 509 N -2.70 4.68 0.01 2.17 1.01 -1.26 -4.44 121.20 120.67 1qoh s ILE 509 Ca 0.59 1.87 -0.22 0.00 0.00 0.00 0.00 60.65 62.90 1qoh s ILE 509 Cb -0.11 -4.29 -0.18 0.00 0.01 0.00 0.00 42.46 37.89 1qoh s ILE 509 CO 0.37 -0.21 1.24 -0.08 0.00 0.00 0.00 174.94 176.26 1qoh h GLU 510 N 7.61 0.27 -2.89 2.79 4.81 -1.27 -3.47 114.58 122.43 1qoh h GLU 510 Ca -0.20 -0.18 0.01 0.00 -0.13 0.00 0.00 59.36 58.86 1qoh h GLU 510 Cb 1.07 0.03 -0.12 0.00 0.63 0.00 0.00 28.75 30.36 1qoh h GLU 510 CO 0.97 0.78 0.26 -0.59 -0.73 0.00 0.00 179.01 179.70 1qoh s PHE 511 N -3.92 -0.47 0.17 0.92 -0.12 -1.25 -5.00 117.98 108.31 1qoh s PHE 511 Ca -0.15 0.24 0.05 0.00 -0.05 0.00 0.00 56.93 57.03 1qoh s PHE 511 Cb 0.04 0.57 -0.05 0.00 -0.63 0.00 0.00 43.02 42.95 1qoh s PHE 511 CO 0.75 -0.85 -0.11 -1.54 -0.05 0.00 0.00 175.22 173.42 1qoh s SER 512 N -2.73 2.05 -0.12 1.98 1.04 -1.26 -1.55 113.70 113.11 1qoh s SER 512 Ca 0.03 -1.03 -0.06 0.00 0.48 0.00 0.00 55.95 55.36 1qoh s SER 512 Cb -0.02 -0.05 0.05 0.00 0.10 0.00 0.00 66.02 66.10 1qoh s SER 512 CO -0.10 -0.30 0.28 -0.75 0.98 0.00 0.00 173.24 173.35 1qoh s LYS 513 N -3.73 0.24 -0.19 4.02 2.20 0.70 -4.97 119.74 118.01 1qoh s LYS 513 Ca 0.20 0.59 -0.19 0.00 -0.36 0.00 0.00 55.97 56.21 1qoh s LYS 513 Cb 0.02 -0.10 -0.03 0.00 -1.51 0.00 0.00 37.83 36.21 1qoh s LYS 513 CO 0.03 -0.16 0.52 -0.47 -0.36 0.00 0.00 175.35 174.91 1qoh s TYR 514 N 1.31 3.38 0.35 4.03 6.14 -1.26 -0.69 117.35 130.61 1qoh s TYR 514 Ca -0.09 0.79 0.04 0.00 0.64 0.00 0.00 57.07 58.45 1qoh s TYR 514 Cb -0.10 -2.67 -0.01 0.00 0.42 0.00 0.00 41.96 39.60 1qoh s TYR 514 CO -0.09 -0.08 0.51 -0.80 0.64 0.00 0.00 175.55 175.72 1qoh s ASN 515 N 1.11 6.04 0.39 4.32 0.01 -0.59 -5.00 114.94 121.23 1qoh s ASN 515 Ca 0.25 0.06 0.09 0.00 -0.71 0.00 0.00 52.86 52.54 1qoh s ASN 515 Cb -0.15 -1.52 0.81 0.00 0.41 0.00 0.00 41.25 40.79 1qoh s ASN 515 CO 0.10 -0.41 1.95 -0.08 -1.51 0.00 0.00 177.10 177.14 1qoh h GLU 516 N 0.81 0.28 -0.05 -0.60 4.81 -1.97 -2.06 114.58 115.80 1qoh h GLU 516 Ca -0.48 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 1qoh h GLU 516 Cb 1.25 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.58 1qoh h GLU 516 CO 0.56 0.36 0.00 -0.40 -0.73 0.00 0.00 179.01 178.81 1qoh n ASP 517 N -4.32 0.37 -0.41 1.04 5.68 -1.26 -4.87 116.55 112.78 1qoh n ASP 517 Ca -0.00 -1.64 -0.05 0.00 -0.50 0.00 0.00 54.79 52.60 1qoh n ASP 517 Cb 0.23 -0.03 -0.02 0.00 -1.14 0.00 0.00 41.12 40.16 1qoh n ASP 517 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1qoh n ASN 518 N -0.47 -3.38 -5.00 -1.12 3.02 -0.77 -5.04 115.26 102.49 1qoh n ASN 518 Ca 0.11 0.10 -0.18 0.00 -0.03 0.00 0.00 54.58 54.58 1qoh n ASN 518 Cb 0.10 -1.54 0.01 0.00 -0.61 0.00 0.00 39.78 37.75 1qoh n ASN 518 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1qoh s THR 519 N -2.19 3.16 -0.02 3.41 -4.23 -1.26 -4.85 115.64 109.66 1qoh s THR 519 Ca 0.00 -0.94 0.05 0.00 -1.18 0.00 0.00 61.69 59.61 1qoh s THR 519 Cb 0.00 -3.08 -0.01 0.00 1.34 0.00 0.00 72.50 70.75 1qoh s THR 519 CO 0.00 -0.03 -0.16 0.12 -0.54 0.00 0.00 174.62 174.01 1qoh s PHE 520 N -2.38 1.44 0.04 3.99 5.36 -0.39 -1.54 117.98 124.51 1qoh s PHE 520 Ca 0.53 -0.30 0.09 0.00 -0.96 0.00 0.00 56.93 56.29 1qoh s PHE 520 Cb -0.10 -0.94 -0.03 0.00 -0.34 0.00 0.00 43.02 41.61 1qoh s PHE 520 CO 0.33 -0.05 -0.24 0.99 -1.46 0.00 0.00 175.22 174.79 1qoh s THR 521 N -0.28 2.31 0.05 0.12 2.01 0.14 -1.11 115.64 118.89 1qoh s THR 521 Ca 0.04 -1.31 0.03 0.00 0.31 0.00 0.00 61.69 60.76 1qoh s THR 521 Cb -0.07 -1.92 -0.03 0.00 0.01 0.00 0.00 72.50 70.50 1qoh s THR 521 CO -0.00 0.37 -0.09 0.68 -0.69 0.00 0.00 174.62 174.89 1qoh s VAL 522 N -0.82 0.69 -0.22 3.82 -7.23 0.37 -0.22 120.40 116.79 1qoh s VAL 522 Ca 0.12 -1.17 -0.00 0.00 -1.81 0.00 0.00 61.98 59.12 1qoh s VAL 522 Cb -0.10 -0.77 0.02 0.00 0.56 0.00 0.00 36.38 36.10 1qoh s VAL 522 CO 0.03 -0.36 -0.12 -0.75 -0.31 0.00 0.00 175.10 173.58 1qoh s LYS 523 N -1.71 2.89 -0.05 4.82 2.20 -0.59 -0.57 119.74 126.73 1qoh s LYS 523 Ca -0.07 -0.92 0.03 0.00 -0.36 0.00 0.00 55.97 54.65 1qoh s LYS 523 Cb -0.09 -2.81 0.00 0.00 -1.51 0.00 0.00 37.83 33.42 1qoh s LYS 523 CO 0.01 -0.32 -0.14 0.08 -0.36 0.00 0.00 175.35 174.61 1qoh s VAL 524 N 1.30 1.23 -1.50 4.02 1.01 -0.10 -0.64 120.40 125.72 1qoh s VAL 524 Ca 0.02 -0.59 -0.13 0.00 0.00 0.00 0.00 61.98 61.28 1qoh s VAL 524 Cb -0.15 -1.08 0.07 0.00 0.00 0.00 0.00 36.38 35.22 1qoh s VAL 524 CO -0.08 0.37 1.01 -1.20 0.00 0.00 0.00 175.10 175.19 1qoh n SER 525 N 3.36 -4.91 0.00 3.32 7.64 -1.26 -1.18 113.62 120.59 1qoh n SER 525 Ca -0.19 -0.75 0.00 0.00 1.01 0.00 0.00 58.87 58.94 1qoh n SER 525 Cb 0.53 -4.06 0.00 0.00 -1.01 0.00 0.00 64.21 59.67 1qoh n SER 525 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qoh n GLY 526 N -1.74 0.83 3.49 0.23 0.00 -1.26 -4.99 105.19 101.75 1qoh n GLY 526 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 1qoh n GLY 526 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qoh s ARG 527 N -0.30 1.99 -0.13 1.61 0.52 -0.32 -5.05 118.95 117.26 1qoh s ARG 527 Ca 0.00 -1.05 -0.07 0.00 -0.52 0.00 0.00 55.73 54.09 1qoh s ARG 527 Cb 0.00 -2.19 -0.04 0.00 0.52 0.00 0.00 34.95 33.24 1qoh s ARG 527 CO 0.00 0.51 0.12 -1.21 0.02 0.00 0.00 175.30 174.75 1qoh s GLU 528 N -1.84 3.53 0.02 3.54 2.02 -1.26 -0.92 118.70 123.79 1qoh s GLU 528 Ca 0.17 -0.17 0.02 0.00 0.02 0.00 0.00 54.97 55.00 1qoh s GLU 528 Cb -0.11 -3.19 -0.01 0.00 0.10 0.00 0.00 34.13 30.92 1qoh s GLU 528 CO 0.09 0.69 -0.06 0.71 0.02 0.00 0.00 175.26 176.71 1qoh s TYR 529 N -0.77 0.50 0.25 1.61 2.02 0.26 0.71 117.35 121.93 1qoh s TYR 529 Ca 0.13 -0.31 0.09 0.00 -0.37 0.00 0.00 57.07 56.62 1qoh s TYR 529 Cb -0.12 -0.31 -0.05 0.00 -0.40 0.00 0.00 41.96 41.08 1qoh s TYR 529 CO 0.03 -0.06 -0.15 1.67 -1.57 0.00 0.00 175.55 175.47 1qoh s TRP 530 N -0.81 1.97 -0.02 2.71 1.48 -0.91 -0.48 118.94 122.88 1qoh s TRP 530 Ca -0.05 -0.50 -0.08 0.00 -1.06 0.00 0.00 56.10 54.41 1qoh s TRP 530 Cb -0.06 -0.92 0.01 0.00 -1.16 0.00 0.00 33.47 31.33 1qoh s TRP 530 CO 0.00 0.49 0.18 -0.08 -4.06 0.00 0.00 176.95 173.47 1qoh s THR 531 N -2.80 0.05 -1.15 0.66 -1.32 -0.26 -1.44 115.64 109.37 1qoh s THR 531 Ca 0.26 -0.45 0.16 0.00 -1.21 0.00 0.00 61.69 60.45 1qoh s THR 531 Cb -0.02 -0.41 0.49 0.00 -1.51 0.00 0.00 72.50 71.06 1qoh s THR 531 CO 0.11 -0.25 1.42 -0.46 -2.21 0.00 0.00 174.62 173.22 1qoh n ASN 532 N 1.90 3.64 -4.60 8.08 0.23 -1.26 -1.26 115.26 121.99 1qoh n ASN 532 Ca -0.19 -2.19 -0.43 0.00 -0.53 0.00 0.00 54.58 51.24 1qoh n ASN 532 Cb 0.57 -0.40 -0.03 0.00 -2.08 0.00 0.00 39.78 37.84 1qoh n ASN 532 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 1qoh s ARG 533 N -1.35 3.76 0.00 -3.83 1.81 -1.26 -4.90 118.95 113.18 1qoh s ARG 533 Ca 0.37 0.53 0.21 0.00 -1.72 0.00 0.00 55.73 55.12 1qoh s ARG 533 Cb 0.22 -3.86 0.97 0.00 -0.45 0.00 0.00 34.95 31.83 1qoh s ARG 533 CO 0.21 -1.14 1.68 -2.67 -0.68 0.00 0.00 175.30 172.70 1qoh n TRP 534 N 7.19 0.00 0.13 -0.53 4.27 -1.26 -2.40 117.44 124.83 1qoh n TRP 534 Ca 0.09 0.00 -0.01 0.00 -3.89 0.00 0.00 57.50 53.68 1qoh n TRP 534 Cb 0.48 -0.42 0.11 0.00 -1.36 0.00 0.00 31.31 30.13 1qoh n TRP 534 CO 0.00 0.00 0.00 -0.91 -2.29 0.00 0.00 177.69 174.49 1qoh h ASN 535 N 0.00 0.00 0.71 -0.67 4.21 -2.01 -3.21 115.58 114.61 1qoh h ASN 535 Ca 0.00 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.46 1qoh h ASN 535 Cb 0.30 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.49 1qoh h ASN 535 CO 0.00 0.67 -0.23 -0.07 -1.29 0.00 0.00 177.43 176.51 1qoh h LEU 536 N 0.00 0.00 0.26 1.61 3.38 -1.89 -3.34 115.31 115.33 1qoh h LEU 536 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1qoh h LEU 536 Cb 1.25 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.96 1qoh h LEU 536 CO 0.09 0.23 -0.50 1.56 0.09 0.00 0.00 178.44 179.90 1qoh h GLN 537 N 0.00 -0.80 -0.24 1.13 4.20 -1.68 0.25 115.11 117.97 1qoh h GLN 537 Ca -0.00 0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.71 1qoh h GLN 537 Cb 0.65 0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 1qoh h GLN 537 CO 0.03 -0.54 -0.07 -1.00 -0.67 0.00 0.00 178.83 176.59 1qoh h PRO 538 N -0.83 0.37 -0.38 1.46 0.13 -1.80 -1.44 132.00 129.51 1qoh h PRO 538 Ca -0.02 -0.08 -0.05 0.00 -0.87 0.00 0.00 66.00 64.98 1qoh h PRO 538 Cb 0.79 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.86 1qoh h PRO 538 CO -0.20 0.45 0.03 -0.07 -0.23 0.00 0.00 178.00 177.98 1qoh h LEU 539 N 0.35 0.63 -0.49 1.56 3.38 -1.60 -2.06 115.31 117.08 1qoh h LEU 539 Ca 0.07 -0.29 -0.08 0.00 0.09 0.00 0.00 57.88 57.68 1qoh h LEU 539 Cb 0.35 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1qoh h LEU 539 CO 0.02 0.76 -0.01 -0.07 0.09 0.00 0.00 178.44 179.22 1qoh h LEU 540 N 0.48 0.87 -0.69 1.67 3.38 -0.21 -1.64 115.31 119.18 1qoh h LEU 540 Ca 0.11 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 1qoh h LEU 540 Cb 0.42 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1qoh h LEU 540 CO 0.01 0.97 0.31 -0.61 0.09 0.00 0.00 178.44 179.21 1qoh h GLN 541 N 0.74 1.01 -0.59 1.13 4.15 -1.21 0.23 115.11 120.57 1qoh h GLN 541 Ca 0.14 -0.16 -0.07 0.00 0.77 0.00 0.00 58.65 59.33 1qoh h GLN 541 Cb 0.54 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 28.03 1qoh h GLN 541 CO 0.03 0.81 0.10 0.77 -1.93 0.00 0.00 178.83 178.61 1qoh h SER 542 N 0.96 0.90 -0.70 -0.69 0.02 -1.24 0.25 113.55 113.06 1qoh h SER 542 Ca 0.23 -0.20 0.05 0.00 -0.84 0.00 0.00 61.79 61.04 1qoh h SER 542 Cb 0.16 -0.24 -0.05 0.00 0.14 0.00 0.00 62.40 62.41 1qoh h SER 542 CO -0.02 0.90 0.41 0.00 -1.14 0.00 0.00 176.83 176.98 1qoh h ALA 543 N 1.21 0.93 -0.01 3.77 0.00 -0.63 -0.59 119.26 123.93 1qoh h ALA 543 Ca 0.18 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1qoh h ALA 543 Cb 0.39 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1qoh h ALA 543 CO 0.01 0.13 0.00 0.37 0.00 0.00 0.00 179.25 179.76 1qoh h GLN 544 N 0.77 0.02 -0.77 0.00 4.15 -0.20 -0.39 115.11 118.69 1qoh h GLN 544 Ca 0.30 -0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.71 1qoh h GLN 544 Cb 0.13 -0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.78 1qoh h GLN 544 CO -0.15 0.25 0.47 -0.07 -1.93 0.00 0.00 178.83 177.40 1qoh h LEU 545 N -0.22 0.91 -1.76 -2.39 3.38 -0.64 -2.67 115.31 111.93 1qoh h LEU 545 Ca 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1qoh h LEU 545 Cb 0.24 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1qoh h LEU 545 CO 0.00 0.70 0.00 0.35 0.09 0.00 0.00 178.44 179.58 1qoh n THR 546 N -4.39 0.47 -2.52 0.22 -2.24 -0.26 -4.96 114.28 100.61 1qoh n THR 546 Ca 0.08 -0.59 -0.15 0.00 -2.27 0.00 0.00 64.05 61.12 1qoh n THR 546 Cb 0.06 0.54 0.01 0.00 -2.10 0.00 0.00 70.33 68.84 1qoh n THR 546 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qoh n GLY 547 N 1.31 -0.18 3.80 3.38 0.00 -0.90 -5.01 105.19 107.60 1qoh n GLY 547 Ca 0.17 -0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 1qoh n GLY 547 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1qoh s MET 548 N -5.02 2.75 -0.28 1.61 -1.94 -0.20 -4.94 119.30 111.28 1qoh s MET 548 Ca 0.10 1.10 -0.16 0.00 -1.71 0.00 0.00 55.69 55.02 1qoh s MET 548 Cb -0.05 -1.96 -0.03 0.00 2.01 0.00 0.00 34.83 34.80 1qoh s MET 548 CO 0.13 -1.25 0.43 0.99 -0.01 0.00 0.00 175.02 175.30 1qoh s THR 549 N -2.86 5.13 0.16 2.05 2.01 -1.26 -4.40 115.64 116.48 1qoh s THR 549 Ca 0.61 0.62 0.07 0.00 0.31 0.00 0.00 61.69 63.29 1qoh s THR 549 Cb -0.16 -3.76 -0.04 0.00 0.01 0.00 0.00 72.50 68.55 1qoh s THR 549 CO 0.52 0.09 0.01 0.68 -0.69 0.00 0.00 174.62 175.23 1qoh s VAL 550 N 2.17 3.84 -0.18 3.82 -7.23 -0.64 -0.02 120.40 122.15 1qoh s VAL 550 Ca 0.17 -1.34 0.00 0.00 -1.81 0.00 0.00 61.98 59.01 1qoh s VAL 550 Cb -0.16 -2.92 0.04 0.00 0.56 0.00 0.00 36.38 33.90 1qoh s VAL 550 CO 0.10 -0.08 -0.09 -0.89 -0.31 0.00 0.00 175.10 173.82 1qoh s THR 551 N -1.68 1.47 -0.13 5.32 2.01 -0.20 -1.86 115.64 120.57 1qoh s THR 551 Ca 0.28 -0.83 -0.25 0.00 0.31 0.00 0.00 61.69 61.20 1qoh s THR 551 Cb -0.10 -1.55 -0.02 0.00 0.01 0.00 0.00 72.50 70.85 1qoh s THR 551 CO 0.19 0.21 0.79 -0.63 -0.69 0.00 0.00 174.62 174.49 1qoh s ILE 552 N 1.48 4.93 -0.17 1.82 -1.09 -0.27 -1.48 121.20 126.42 1qoh s ILE 552 Ca 0.00 1.58 -0.00 0.00 -2.23 0.00 0.00 60.65 60.00 1qoh s ILE 552 Cb -0.15 -4.11 0.00 0.00 -1.58 0.00 0.00 42.46 36.62 1qoh s ILE 552 CO -0.08 0.10 -0.14 -0.63 -1.23 0.00 0.00 174.94 172.95 1qoh s ILE 553 N 1.71 2.66 0.21 2.92 1.01 -0.66 -0.75 121.20 128.30 1qoh s ILE 553 Ca 0.38 -0.76 -0.23 0.00 0.00 0.00 0.00 60.65 60.04 1qoh s ILE 553 Cb -0.17 -2.14 0.04 0.00 0.01 0.00 0.00 42.46 40.20 1qoh s ILE 553 CO 0.15 0.50 0.85 -0.55 0.00 0.00 0.00 174.94 175.89 1qoh s SER 554 N 1.05 -0.21 0.08 3.58 0.15 -0.52 -3.84 113.70 113.98 1qoh s SER 554 Ca -0.01 -0.50 -0.04 0.00 0.70 0.00 0.00 55.95 56.10 1qoh s SER 554 Cb -0.15 0.60 -0.27 0.00 -1.71 0.00 0.00 66.02 64.50 1qoh s SER 554 CO -0.04 -1.11 1.16 0.78 1.20 0.00 0.00 173.24 175.23 1qoh h ASN 555 N 2.00 0.43 -3.40 5.45 -0.26 -1.87 -2.09 115.58 115.84 1qoh h ASN 555 Ca -0.22 -0.45 -0.66 0.00 -0.56 0.00 0.00 56.30 54.42 1qoh h ASN 555 Cb 1.24 -0.14 -0.27 0.00 -1.06 0.00 0.00 38.32 38.09 1qoh h ASN 555 CO 0.24 1.34 -0.72 0.42 -1.06 0.00 0.00 177.43 177.66 1qoh s THR 556 N -2.71 3.44 -2.07 2.81 -4.23 -1.26 -4.88 115.64 106.74 1qoh s THR 556 Ca -0.04 -0.48 0.20 0.00 -1.18 0.00 0.00 61.69 60.19 1qoh s THR 556 Cb 0.07 -2.56 0.36 0.00 1.34 0.00 0.00 72.50 71.72 1qoh s THR 556 CO 0.88 0.43 1.31 0.00 -0.54 0.00 0.00 174.62 176.70 1qoh s SER 558 N -1.32 6.81 0.24 0.00 1.04 -1.26 -4.94 113.70 114.27 1qoh s SER 558 Ca 0.33 2.35 -0.30 0.00 0.48 0.00 0.00 55.95 58.82 1qoh s SER 558 Cb 0.19 -2.62 -0.15 0.00 0.10 0.00 0.00 66.02 63.54 1qoh s SER 558 CO 0.27 -0.48 1.00 -0.24 0.98 0.00 0.00 173.24 174.77 1qoh n SER 559 N 0.51 1.03 0.00 7.02 2.88 -1.26 -1.64 113.62 122.15 1qoh n SER 559 Ca 0.02 1.16 0.00 0.00 -1.33 0.00 0.00 58.87 58.72 1qoh n SER 559 Cb 0.45 -1.23 0.00 0.00 -0.75 0.00 0.00 64.21 62.69 1qoh n SER 559 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1qoh n GLY 560 N 1.55 0.63 3.86 0.46 0.00 0.22 -4.90 105.19 107.02 1qoh n GLY 560 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 1qoh n GLY 560 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qoh s SER 561 N -2.92 6.51 0.45 1.61 0.01 -0.65 -4.77 113.70 113.93 1qoh s SER 561 Ca 0.00 1.35 -0.10 0.00 1.31 0.00 0.00 55.95 58.51 1qoh s SER 561 Cb 0.00 -2.42 -0.06 0.00 0.21 0.00 0.00 66.02 63.75 1qoh s SER 561 CO 0.00 -0.56 0.81 -0.83 0.41 0.00 0.00 173.24 173.07 1qoh s GLY 562 N -3.31 1.82 0.02 3.44 0.00 -1.26 -2.15 107.32 105.88 1qoh s GLY 562 Ca 0.55 -0.24 -0.17 0.00 0.00 0.00 0.00 44.72 44.86 1qoh s GLY 562 CO 0.35 -0.04 0.37 -0.11 0.00 0.00 0.00 173.10 173.67 1qoh s PHE 563 N -2.54 -0.22 0.00 1.90 -0.71 -0.52 -4.81 117.98 111.07 1qoh s PHE 563 Ca 0.51 0.23 0.00 0.00 -1.04 0.00 0.00 56.93 56.63 1qoh s PHE 563 Cb -0.10 0.16 0.00 0.00 -1.21 0.00 0.00 43.02 41.87 1qoh s PHE 563 CO 0.36 -0.51 0.58 0.00 -1.34 0.00 0.00 175.22 174.32 1qoh n ALA 564 N 0.76 1.21 -3.16 1.99 0.00 -1.26 -4.36 120.51 115.69 1qoh n ALA 564 Ca -0.19 -0.57 -0.18 0.00 0.00 0.00 0.00 53.44 52.50 1qoh n ALA 564 Cb 0.58 -0.10 -0.15 0.00 0.00 0.00 0.00 19.45 19.78 1qoh n ALA 564 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1qoh s GLU 565 N 0.00 0.57 -0.20 0.00 2.12 -1.25 -5.08 118.70 114.86 1qoh s GLU 565 Ca 0.00 -0.14 -0.20 0.00 0.36 0.00 0.00 54.97 54.99 1qoh s GLU 565 Cb 0.00 -0.58 0.05 0.00 0.26 0.00 0.00 34.13 33.86 1qoh s GLU 565 CO 0.00 0.03 0.56 0.54 -0.54 0.00 0.00 175.26 175.84 1qoh s VAL 566 N 0.34 0.00 -0.11 3.70 0.11 -1.26 -1.65 120.40 121.53 1qoh s VAL 566 Ca -0.04 -0.02 -0.04 0.00 -2.93 0.00 0.00 61.98 58.96 1qoh s VAL 566 Cb -0.08 -0.78 -0.03 0.00 -1.53 0.00 0.00 36.38 33.95 1qoh s VAL 566 CO -0.00 -0.01 0.03 -1.58 -3.33 0.00 0.00 175.10 170.21 1qoh s GLN 567 N 0.17 3.29 -0.25 1.54 0.74 -0.55 -4.93 119.66 119.68 1qoh s GLN 567 Ca -0.01 -0.37 -0.04 0.00 0.05 0.00 0.00 55.36 54.99 1qoh s GLN 567 Cb -0.04 -2.93 0.00 0.00 1.10 0.00 0.00 33.01 31.14 1qoh s GLN 567 CO 0.01 0.59 -0.01 -0.06 -0.55 0.00 0.00 175.29 175.28 1qoh s PHE 568 N -0.56 3.03 -1.18 1.67 0.40 -1.26 -1.03 117.98 119.05 1qoh s PHE 568 Ca 0.10 -1.04 0.09 0.00 -0.60 0.00 0.00 56.93 55.48 1qoh s PHE 568 Cb -0.12 -2.14 0.07 0.00 0.51 0.00 0.00 43.02 41.35 1qoh s PHE 568 CO 0.02 -0.58 0.80 0.09 0.70 0.00 0.00 175.22 176.25