#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pqf n GLY 497 N 0.00 1.30 3.18 0.55 0.00 -1.26 -4.92 105.19 104.04 2pqf n GLY 497 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 2pqf n GLY 497 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2pqf s PHE 498 N -2.75 0.37 0.05 1.61 -0.12 -1.26 -4.37 117.98 111.51 2pqf s PHE 498 Ca 0.00 -0.83 0.05 0.00 -0.05 0.00 0.00 56.93 56.10 2pqf s PHE 498 Cb 0.00 -0.21 -0.02 0.00 -0.63 0.00 0.00 43.02 42.16 2pqf s PHE 498 CO 0.00 -0.51 -0.13 -0.65 -0.05 0.00 0.00 175.22 173.88 2pqf s GLN 499 N -3.91 0.82 -0.14 1.99 1.11 -0.35 -5.00 119.66 114.18 2pqf s GLN 499 Ca 0.09 -0.82 0.02 0.00 0.01 0.00 0.00 55.36 54.66 2pqf s GLN 499 Cb 0.06 -0.80 0.01 0.00 -1.01 0.00 0.00 33.01 31.27 2pqf s GLN 499 CO -0.08 0.19 -0.21 0.15 0.01 0.00 0.00 175.29 175.34 2pqf s LYS 500 N -1.42 3.06 -0.22 2.91 1.02 -1.26 -0.60 119.74 123.23 2pqf s LYS 500 Ca -0.01 -0.84 0.02 0.00 0.02 0.00 0.00 55.97 55.15 2pqf s LYS 500 Cb -0.09 -2.45 0.05 0.00 -0.52 0.00 0.00 37.83 34.82 2pqf s LYS 500 CO 0.02 0.01 -0.12 0.42 -0.92 0.00 0.00 175.35 174.76 2pqf s ILE 501 N 0.77 1.91 -0.07 2.17 -1.09 -0.10 -4.92 121.20 119.87 2pqf s ILE 501 Ca -0.08 -1.27 -0.30 0.00 -2.23 0.00 0.00 60.65 56.77 2pqf s ILE 501 Cb -0.16 -1.98 -0.04 0.00 -1.58 0.00 0.00 42.46 38.70 2pqf s ILE 501 CO -0.01 0.12 1.49 -0.89 -1.23 0.00 0.00 174.94 174.43 2pqf s THR 502 N 1.26 3.80 0.11 2.92 2.01 -1.26 -0.08 115.64 124.40 2pqf s THR 502 Ca -0.04 1.02 -0.08 0.00 0.31 0.00 0.00 61.69 62.90 2pqf s THR 502 Cb -0.17 -3.66 -0.06 0.00 0.01 0.00 0.00 72.50 68.62 2pqf s THR 502 CO -0.07 -0.07 0.40 -0.76 -0.69 0.00 0.00 174.62 173.42 2pqf s LEU 503 N 3.55 4.31 0.21 4.42 1.43 -0.49 -4.96 118.68 127.14 2pqf s LEU 503 Ca 0.66 0.73 -0.30 0.00 -1.03 0.00 0.00 54.13 54.19 2pqf s LEU 503 Cb -0.30 -3.12 -0.09 0.00 0.03 0.00 0.00 46.19 42.72 2pqf s LEU 503 CO 0.25 0.12 1.30 -0.55 0.23 0.00 0.00 176.35 177.70 2pqf s SER 504 N -2.00 6.90 0.23 2.29 0.15 -1.26 -4.71 113.70 115.30 2pqf s SER 504 Ca 0.36 2.42 0.20 0.00 0.70 0.00 0.00 55.95 59.63 2pqf s SER 504 Cb -0.13 -2.61 0.92 0.00 -1.71 0.00 0.00 66.02 62.48 2pqf s SER 504 CO 0.20 -0.51 1.61 -1.54 1.20 0.00 0.00 173.24 174.20 2pqf n SER 505 N 2.41 0.50 0.16 5.45 3.41 -1.26 -1.42 113.62 122.87 2pqf n SER 505 Ca 0.05 0.66 0.03 0.00 -0.26 0.00 0.00 58.87 59.36 2pqf n SER 505 Cb 0.43 -0.76 0.21 0.00 -0.26 0.00 0.00 64.21 63.83 2pqf n SER 505 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2pqf h SER 506 N 0.00 0.00 -3.97 4.04 0.02 -2.00 -3.43 113.55 108.20 2pqf h SER 506 Ca 0.00 0.00 -0.50 0.00 -0.84 0.00 0.00 61.79 60.45 2pqf h SER 506 Cb 0.21 0.00 0.05 0.00 0.14 0.00 0.00 62.40 62.80 2pqf h SER 506 CO 0.00 0.48 0.47 -0.94 -1.14 0.00 0.00 176.83 175.71 2pqf s SER 507 N -6.51 6.44 0.51 3.07 1.04 -0.51 -4.92 113.70 112.81 2pqf s SER 507 Ca 0.01 2.25 0.30 0.00 0.48 0.00 0.00 55.95 58.99 2pqf s SER 507 Cb 0.10 -2.60 1.17 0.00 0.10 0.00 0.00 66.02 64.79 2pqf s SER 507 CO 0.72 -0.73 1.92 1.05 0.98 0.00 0.00 173.24 177.18 2pqf h GLU 508 N 2.36 0.00 -0.51 4.02 4.11 -1.91 -2.28 114.58 120.36 2pqf h GLU 508 Ca -0.49 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 58.92 2pqf h GLU 508 Cb 1.23 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.46 2pqf h GLU 508 CO 0.61 0.07 0.24 1.49 0.07 0.00 0.00 179.01 181.49 2pqf h GLU 509 N 0.00 0.74 -0.30 1.06 4.81 -1.92 -1.25 114.58 117.73 2pqf h GLU 509 Ca -0.00 -0.11 -0.02 0.00 -0.13 0.00 0.00 59.36 59.09 2pqf h GLU 509 Cb 0.61 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 2pqf h GLU 509 CO 0.01 0.62 0.09 -0.92 -0.73 0.00 0.00 179.01 178.08 2pqf h TYR 510 N 0.68 0.48 0.00 0.92 3.20 -1.68 -3.04 116.97 117.53 2pqf h TYR 510 Ca 0.18 -0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.96 2pqf h TYR 510 Cb 0.13 -0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.25 2pqf h TYR 510 CO -0.00 0.50 -0.15 1.96 -1.64 0.00 0.00 178.16 178.82 2pqf h GLN 511 N 0.33 0.00 0.05 1.82 4.20 -1.26 0.11 115.11 120.36 2pqf h GLN 511 Ca 0.10 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.56 2pqf h GLN 511 Cb 0.24 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 2pqf h GLN 511 CO -0.00 0.15 -1.22 1.57 -0.67 0.00 0.00 178.83 178.66 2pqf h LYS 512 N 0.00 0.11 -0.24 1.46 2.10 -1.20 -1.69 116.57 117.11 2pqf h LYS 512 Ca -0.00 -0.19 -0.02 0.00 -2.00 0.00 0.00 60.65 58.44 2pqf h LYS 512 Cb 0.54 0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 31.93 2pqf h LYS 512 CO 0.02 1.03 0.07 0.28 -2.00 0.00 0.00 179.45 178.84 2pqf h VAL 513 N 0.03 1.20 -0.40 0.07 2.07 -1.36 -2.93 116.25 114.93 2pqf h VAL 513 Ca -0.11 -0.64 0.04 0.00 0.82 0.00 0.00 66.70 66.82 2pqf h VAL 513 Cb 1.89 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 32.79 2pqf h VAL 513 CO 0.15 0.21 0.16 -0.25 0.02 0.00 0.00 177.57 177.86 2pqf h TRP 514 N 0.21 0.29 -0.87 1.57 7.01 -0.85 -2.50 115.95 120.81 2pqf h TRP 514 Ca 0.08 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.09 2pqf h TRP 514 Cb 0.25 -0.07 -0.04 0.00 -2.10 0.00 0.00 29.16 27.20 2pqf h TRP 514 CO 0.01 0.13 0.54 -0.91 -2.79 0.00 0.00 178.44 175.41 2pqf h ASN 515 N 0.33 1.02 -0.42 2.65 2.35 -1.31 0.15 115.58 120.37 2pqf h ASN 515 Ca 0.18 -0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.86 2pqf h ASN 515 Cb 0.14 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 2pqf h ASN 515 CO -0.16 0.77 0.17 -0.07 -1.65 0.00 0.00 177.43 176.49 2pqf h LEU 516 N 1.19 0.57 0.27 1.61 3.38 -1.28 -2.48 115.31 118.56 2pqf h LEU 516 Ca 0.31 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 58.13 2pqf h LEU 516 Cb -0.08 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 2pqf h LEU 516 CO -0.06 0.58 -0.33 0.15 0.09 0.00 0.00 178.44 178.87 2pqf h PHE 517 N 0.53 -0.89 0.00 1.13 3.57 -1.18 -3.09 116.94 117.01 2pqf h PHE 517 Ca 0.14 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.65 2pqf h PHE 517 Cb 0.18 0.36 0.00 0.00 2.79 0.00 0.00 35.95 39.28 2pqf h PHE 517 CO -0.00 -0.46 0.10 -0.97 -2.23 0.00 0.00 178.31 174.76 2pqf h ASN 518 N -0.65 0.00 -0.64 0.41 -0.73 -0.62 -1.56 115.58 111.79 2pqf h ASN 518 Ca -0.00 0.00 -0.04 0.00 1.87 0.00 0.00 56.30 58.12 2pqf h ASN 518 Cb 0.61 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 39.17 2pqf h ASN 518 CO -0.10 0.00 0.23 0.03 -0.37 0.00 0.00 177.43 177.22 2pqf h ARG 519 N 0.00 0.98 -0.00 6.67 3.08 -1.35 -2.99 114.38 120.76 2pqf h ARG 519 Ca 0.00 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 59.86 2pqf h ARG 519 Cb 0.21 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.11 2pqf h ARG 519 CO 0.00 0.84 -0.18 0.25 -1.07 0.00 0.00 179.97 179.81 2pqf n THR 520 N -4.39 0.00 -2.99 2.04 -2.24 -1.07 -4.74 114.28 100.89 2pqf n THR 520 Ca 0.04 -0.41 -0.24 0.00 -2.27 0.00 0.00 64.05 61.17 2pqf n THR 520 Cb 0.19 1.04 -0.03 0.00 -2.10 0.00 0.00 70.33 69.43 2pqf n THR 520 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2pqf n LEU 521 N -0.69 3.40 0.16 3.22 4.77 -0.61 -4.45 117.00 122.80 2pqf n LEU 521 Ca 0.02 -5.45 0.12 0.00 -0.03 0.00 0.00 56.01 50.67 2pqf n LEU 521 Cb 0.10 -0.17 0.58 0.00 -2.33 0.00 0.00 43.42 41.61 2pqf n LEU 521 CO 0.09 2.33 0.87 1.55 -1.33 0.00 0.00 177.39 180.89 2pqf h PRO 522 N 2.97 0.00 -0.16 3.23 0.13 -1.76 -3.10 132.00 133.31 2pqf h PRO 522 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2pqf h PRO 522 Cb 0.66 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.79 2pqf h PRO 522 CO 0.72 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.68 2pqf n PHE 523 N -2.34 0.20 -2.94 1.56 3.72 -1.26 -4.93 117.46 111.47 2pqf n PHE 523 Ca 0.00 -0.15 -0.18 0.00 -0.05 0.00 0.00 57.45 57.06 2pqf n PHE 523 Cb 0.14 -0.01 0.03 0.00 -0.94 0.00 0.00 39.48 38.70 2pqf n PHE 523 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 2pqf s TYR 524 N -1.19 2.55 -0.18 1.38 2.02 -1.17 -4.84 117.35 115.93 2pqf s TYR 524 Ca 0.22 -0.38 0.00 0.00 -0.37 0.00 0.00 57.07 56.54 2pqf s TYR 524 Cb 0.14 -2.44 0.04 0.00 -0.40 0.00 0.00 41.96 39.30 2pqf s TYR 524 CO 0.20 -0.66 -0.10 -0.06 -1.57 0.00 0.00 175.55 173.37 2pqf s PHE 525 N -2.49 2.15 0.07 2.71 0.08 0.42 -4.97 117.98 115.95 2pqf s PHE 525 Ca 0.57 -1.35 -0.30 0.00 0.12 0.00 0.00 56.93 55.96 2pqf s PHE 525 Cb -0.09 -1.53 -0.05 0.00 -0.57 0.00 0.00 43.02 40.77 2pqf s PHE 525 CO 0.35 -0.69 1.12 0.08 -0.10 0.00 0.00 175.22 175.98 2pqf s VAL 526 N 1.49 4.22 -0.08 -0.44 1.01 -1.26 0.47 120.40 125.80 2pqf s VAL 526 Ca 0.01 1.66 0.14 0.00 0.00 0.00 0.00 61.98 63.78 2pqf s VAL 526 Cb -0.15 -4.06 -0.20 0.00 0.00 0.00 0.00 36.38 31.97 2pqf s VAL 526 CO -0.09 0.16 0.18 0.00 0.00 0.00 0.00 175.10 175.36 2pqf n GLN 527 N 3.58 1.12 -3.63 2.72 1.13 0.38 -4.93 117.38 117.75 2pqf n GLN 527 Ca 0.07 -0.07 -0.13 0.00 -1.94 0.00 0.00 57.00 54.93 2pqf n GLN 527 Cb 0.48 -1.36 -0.07 0.00 0.11 0.00 0.00 30.24 29.40 2pqf n GLN 527 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 2pqf s LYS 528 N -2.67 0.77 -0.10 -1.09 2.20 -1.02 -5.00 119.74 112.82 2pqf s LYS 528 Ca -0.06 0.89 -0.01 0.00 -0.36 0.00 0.00 55.97 56.43 2pqf s LYS 528 Cb 0.07 0.38 0.03 0.00 -1.51 0.00 0.00 37.83 36.79 2pqf s LYS 528 CO 0.59 -0.10 -0.03 0.42 -0.36 0.00 0.00 175.35 175.88 2pqf s ILE 529 N 0.30 0.71 -0.12 5.43 1.01 -1.26 -0.81 121.20 126.47 2pqf s ILE 529 Ca 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 60.65 60.50 2pqf s ILE 529 Cb -0.05 -0.84 -0.02 0.00 0.01 0.00 0.00 42.46 41.56 2pqf s ILE 529 CO -0.00 0.26 -0.09 -1.61 0.00 0.00 0.00 174.94 173.50 2pqf s GLU 530 N 1.83 3.26 -0.11 2.79 2.02 -0.74 -1.40 118.70 126.35 2pqf s GLU 530 Ca 0.04 -0.61 -0.30 0.00 0.02 0.00 0.00 54.97 54.12 2pqf s GLU 530 Cb -0.13 -2.68 -0.01 0.00 0.10 0.00 0.00 34.13 31.41 2pqf s GLU 530 CO -0.07 0.35 1.02 0.50 0.02 0.00 0.00 175.26 177.08 2pqf s ARG 531 N 0.03 4.41 -0.19 1.61 3.52 0.89 -1.30 118.95 127.92 2pqf s ARG 531 Ca -0.02 1.41 -0.20 0.00 -0.13 0.00 0.00 55.73 56.79 2pqf s ARG 531 Cb -0.14 -3.55 -0.03 0.00 -1.56 0.00 0.00 34.95 29.68 2pqf s ARG 531 CO 0.04 -0.34 0.61 0.08 -0.81 0.00 0.00 175.30 174.87 2pqf s VAL 532 N 2.08 5.04 -0.37 7.11 1.01 -0.09 -0.92 120.40 134.26 2pqf s VAL 532 Ca 0.49 1.14 -0.00 0.00 0.00 0.00 0.00 61.98 63.61 2pqf s VAL 532 Cb -0.19 -3.92 0.10 0.00 0.00 0.00 0.00 36.38 32.37 2pqf s VAL 532 CO 0.18 0.13 0.12 -1.10 0.00 0.00 0.00 175.10 174.43 2pqf s GLN 533 N 1.79 1.90 -0.38 2.72 -0.21 0.23 -4.82 119.66 120.90 2pqf s GLN 533 Ca 0.28 -1.75 0.01 0.00 0.02 0.00 0.00 55.36 53.92 2pqf s GLN 533 Cb -0.16 -3.39 0.12 0.00 1.00 0.00 0.00 33.01 30.59 2pqf s GLN 533 CO 0.10 -0.95 0.17 1.21 -2.12 0.00 0.00 175.29 173.70 2pqf s ASN 534 N 1.43 3.84 0.20 5.90 3.84 -1.26 -1.22 114.94 127.67 2pqf s ASN 534 Ca 0.07 -2.18 -0.12 0.00 0.21 0.00 0.00 52.86 50.84 2pqf s ASN 534 Cb -0.21 -0.97 0.24 0.00 -0.55 0.00 0.00 41.25 39.75 2pqf s ASN 534 CO -0.05 -0.34 1.69 0.25 -2.79 0.00 0.00 177.10 175.86 2pqf h LEU 535 N 7.35 -0.14 -0.76 3.21 5.85 -1.96 -0.15 115.31 128.70 2pqf h LEU 535 Ca -0.06 0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.81 2pqf h LEU 535 Cb 0.97 0.20 -0.05 0.00 0.37 0.00 0.00 40.66 42.15 2pqf h LEU 535 CO 0.47 -0.05 0.48 0.00 -0.34 0.00 0.00 178.44 179.00 2pqf h ALA 536 N 1.47 1.00 -0.01 1.25 0.00 -1.96 0.20 119.26 121.21 2pqf h ALA 536 Ca 0.28 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 55.01 2pqf h ALA 536 Cb 0.43 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2pqf h ALA 536 CO -0.42 0.27 -0.74 -0.07 0.00 0.00 0.00 179.25 178.29 2pqf h LEU 537 N 0.93 0.09 -0.27 0.00 3.38 -1.75 -2.78 115.31 114.92 2pqf h LEU 537 Ca 0.31 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 58.12 2pqf h LEU 537 Cb 0.04 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2pqf h LEU 537 CO -0.12 0.79 -0.21 -0.25 0.09 0.00 0.00 178.44 178.74 2pqf h TRP 538 N 0.05 0.73 -0.49 1.13 2.91 -0.37 -2.45 115.95 117.45 2pqf h TRP 538 Ca -0.01 -0.20 -0.01 0.00 1.13 0.00 0.00 58.89 59.79 2pqf h TRP 538 Cb 1.30 -0.16 -0.02 0.00 -0.51 0.00 0.00 29.16 29.77 2pqf h TRP 538 CO 0.01 0.90 0.27 0.93 -1.03 0.00 0.00 178.44 179.52 2pqf h GLU 539 N 0.34 0.69 -0.07 2.65 5.08 -0.62 -1.41 114.58 121.25 2pqf h GLU 539 Ca 0.05 -0.08 -0.15 0.00 -1.00 0.00 0.00 59.36 58.18 2pqf h GLU 539 Cb 0.76 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 2pqf h GLU 539 CO 0.06 0.55 -0.61 -0.24 -1.00 0.00 0.00 179.01 177.76 2pqf h VAL 540 N 0.66 1.39 -0.34 3.13 3.04 -1.55 -0.46 116.25 122.11 2pqf h VAL 540 Ca 0.17 -1.99 -0.03 0.00 -1.01 0.00 0.00 66.70 63.84 2pqf h VAL 540 Cb 0.06 2.01 -0.01 0.00 -2.01 0.00 0.00 31.29 31.34 2pqf h VAL 540 CO -0.03 0.59 0.09 0.22 -1.01 0.00 0.00 177.57 177.43 2pqf h TYR 541 N 0.18 0.57 -0.36 3.17 3.20 -1.31 -1.23 116.97 121.18 2pqf h TYR 541 Ca -0.01 -0.06 -0.12 0.00 3.14 0.00 0.00 58.73 61.67 2pqf h TYR 541 Cb 1.12 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 39.21 2pqf h TYR 541 CO 0.02 0.57 -0.28 1.96 -1.64 0.00 0.00 178.16 178.79 2pqf h GLN 542 N 0.40 0.75 -0.67 1.82 1.08 -1.10 -1.01 115.11 116.39 2pqf h GLN 542 Ca 0.11 -0.33 0.03 0.00 -1.45 0.00 0.00 58.65 57.01 2pqf h GLN 542 Cb 0.29 -0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.65 2pqf h GLN 542 CO -0.00 0.94 0.41 2.35 -0.95 0.00 0.00 178.83 181.58 2pqf h TRP 543 N 0.64 0.76 -0.51 2.96 7.01 -1.03 -0.13 115.95 125.65 2pqf h TRP 543 Ca 0.08 0.02 -0.12 0.00 2.11 0.00 0.00 58.89 60.98 2pqf h TRP 543 Cb 0.80 -0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 27.60 2pqf h TRP 543 CO 0.04 0.42 -0.16 0.37 -2.79 0.00 0.00 178.44 176.32 2pqf h GLN 544 N 0.79 1.00 0.02 2.65 5.75 -1.03 -0.78 115.11 123.51 2pqf h GLN 544 Ca 0.27 -0.40 -0.00 0.00 -0.15 0.00 0.00 58.65 58.37 2pqf h GLN 544 Cb 0.05 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 28.55 2pqf h GLN 544 CO -0.12 1.08 -0.01 -0.22 -2.65 0.00 0.00 178.83 176.91 2pqf h LYS 545 N 0.87 -0.03 -0.91 1.69 3.64 -0.85 -2.83 116.57 118.15 2pqf h LYS 545 Ca 0.12 0.00 0.14 0.00 -1.27 0.00 0.00 60.65 59.64 2pqf h LYS 545 Cb 0.73 0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 32.47 2pqf h LYS 545 CO 0.06 0.02 0.52 0.78 -2.27 0.00 0.00 179.45 178.56 2pqf h GLY 546 N -0.07 1.50 -1.38 5.01 0.00 -0.80 -1.46 103.07 105.87 2pqf h GLY 546 Ca -0.00 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.00 2pqf h GLY 546 CO 0.00 0.04 0.00 -1.06 0.00 0.00 0.00 176.54 175.52 2pqf n GLN 547 N -4.76 0.31 0.00 4.80 1.13 -0.32 -2.33 117.38 116.21 2pqf n GLN 547 Ca 0.18 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.24 2pqf n GLN 547 Cb 0.41 -1.23 0.00 0.00 0.11 0.00 0.00 30.24 29.53 2pqf n GLN 547 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 2pqf n GLN 549 N 0.53 0.00 0.14 -1.09 6.02 -0.55 -3.25 117.38 119.18 2pqf n GLN 549 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 57.00 57.12 2pqf n GLN 549 Cb 0.11 0.00 0.48 0.00 1.02 0.00 0.00 30.24 31.85 2pqf n GLN 549 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 2pqf h LYS 550 N 0.00 0.00 -0.14 -1.09 1.57 -1.75 -3.07 116.57 112.10 2pqf h LYS 550 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2pqf h LYS 550 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2pqf h LYS 550 CO 0.00 0.00 0.00 1.04 -0.57 0.00 0.00 179.45 179.92 2pqf n GLN 551 N -2.32 2.72 -0.30 3.15 6.02 -1.20 -4.68 117.38 120.77 2pqf n GLN 551 Ca 0.03 -1.96 0.09 0.00 -0.01 0.00 0.00 57.00 55.15 2pqf n GLN 551 Cb 0.29 -1.24 0.25 0.00 1.02 0.00 0.00 30.24 30.56 2pqf n GLN 551 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2pqf n ASN 552 N -0.30 3.57 -2.48 1.08 5.15 -1.16 -4.95 115.26 116.16 2pqf n ASN 552 Ca 0.08 -2.05 -0.20 0.00 -0.60 0.00 0.00 54.58 51.81 2pqf n ASN 552 Cb 0.42 -0.39 0.01 0.00 -0.53 0.00 0.00 39.78 39.30 2pqf n ASN 552 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2pqf n GLY 553 N 1.08 -0.45 2.32 8.20 0.00 -1.26 -2.17 105.19 112.91 2pqf n GLY 553 Ca 0.19 -0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.19 2pqf n GLY 553 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pqf n GLY 554 N -1.20 0.44 3.76 -0.02 0.00 -1.26 -5.04 105.19 101.87 2pqf n GLY 554 Ca -0.19 -0.13 -0.39 0.00 0.00 0.00 0.00 46.02 45.31 2pqf n GLY 554 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2pqf s LYS 555 N -1.05 4.67 0.49 1.61 2.20 -0.92 -5.04 119.74 121.68 2pqf s LYS 555 Ca 0.00 1.50 -0.24 0.00 -0.36 0.00 0.00 55.97 56.87 2pqf s LYS 555 Cb 0.00 -3.05 -0.07 0.00 -1.51 0.00 0.00 37.83 33.20 2pqf s LYS 555 CO 0.00 0.33 1.42 0.00 -0.36 0.00 0.00 175.35 176.73 2pqf s ALA 556 N -1.36 3.10 -0.09 3.13 0.00 -1.26 -4.86 121.76 120.42 2pqf s ALA 556 Ca 0.46 1.44 -0.28 0.00 0.00 0.00 0.00 51.96 53.59 2pqf s ALA 556 Cb -0.24 -3.59 -0.02 0.00 0.00 0.00 0.00 23.12 19.26 2pqf s ALA 556 CO 0.31 -1.29 0.90 0.08 0.00 0.00 0.00 175.76 175.76 2pqf s VAL 557 N -1.23 4.88 -0.30 0.00 1.01 -1.26 -4.96 120.40 118.54 2pqf s VAL 557 Ca 0.65 1.84 -0.28 0.00 0.00 0.00 0.00 61.98 64.19 2pqf s VAL 557 Cb -0.43 -4.22 -0.03 0.00 0.00 0.00 0.00 36.38 31.70 2pqf s VAL 557 CO 0.54 0.09 1.90 -0.62 0.00 0.00 0.00 175.10 177.02 2pqf s ASP 558 N 1.04 5.79 -0.07 3.32 -1.08 -1.26 -4.92 116.67 119.48 2pqf s ASP 558 Ca 0.45 1.46 0.05 0.00 -0.52 0.00 0.00 52.55 53.98 2pqf s ASP 558 Cb -0.18 -2.52 -0.00 0.00 -1.46 0.00 0.00 42.92 38.75 2pqf s ASP 558 CO 0.19 -1.77 -0.23 -0.70 0.52 0.00 0.00 175.17 173.18 2pqf s GLU 559 N 5.82 2.62 0.08 4.34 2.12 -1.26 -1.33 118.70 131.09 2pqf s GLU 559 Ca 0.85 -0.84 0.02 0.00 0.36 0.00 0.00 54.97 55.36 2pqf s GLU 559 Cb -0.25 -2.11 -0.04 0.00 0.26 0.00 0.00 34.13 31.99 2pqf s GLU 559 CO 0.34 0.27 -0.07 1.03 -0.54 0.00 0.00 175.26 176.30 2pqf s ARG 560 N 0.09 0.73 -0.48 4.30 0.52 0.16 -4.95 118.95 119.32 2pqf s ARG 560 Ca -0.10 -1.16 -0.17 0.00 -0.52 0.00 0.00 55.73 53.79 2pqf s ARG 560 Cb -0.15 -0.20 0.07 0.00 0.52 0.00 0.00 34.95 35.18 2pqf s ARG 560 CO 0.06 -0.00 0.46 -0.65 0.02 0.00 0.00 175.30 175.19 2pqf s GLN 561 N -3.17 3.02 0.18 3.54 -0.21 -1.26 0.24 119.66 121.99 2pqf s GLN 561 Ca 0.05 -1.22 0.10 0.00 0.02 0.00 0.00 55.36 54.31 2pqf s GLN 561 Cb 0.01 -4.12 -0.04 0.00 1.00 0.00 0.00 33.01 29.85 2pqf s GLN 561 CO -0.04 -1.09 -0.21 -0.51 -2.12 0.00 0.00 175.29 171.32 2pqf s LEU 562 N 1.93 2.43 0.04 2.90 1.43 -0.41 -4.91 118.68 122.09 2pqf s LEU 562 Ca 0.07 -0.86 -0.11 0.00 -1.03 0.00 0.00 54.13 52.21 2pqf s LEU 562 Cb -0.23 -1.00 -0.06 0.00 0.03 0.00 0.00 46.19 44.93 2pqf s LEU 562 CO 0.08 0.05 0.38 -0.36 0.23 0.00 0.00 176.35 176.73 2pqf s PHE 563 N -1.81 3.63 -0.26 0.29 0.08 0.28 0.16 117.98 120.35 2pqf s PHE 563 Ca 0.18 0.83 -0.03 0.00 0.12 0.00 0.00 56.93 58.02 2pqf s PHE 563 Cb -0.07 -2.18 0.09 0.00 -0.57 0.00 0.00 43.02 40.29 2pqf s PHE 563 CO 0.08 0.58 0.11 -1.58 -0.10 0.00 0.00 175.22 174.31 2pqf s HIS 564 N -1.26 0.62 0.12 0.36 5.65 -0.13 -0.78 115.29 119.86 2pqf s HIS 564 Ca 0.28 -0.92 -0.30 0.00 0.25 0.00 0.00 55.06 54.37 2pqf s HIS 564 Cb -0.15 -1.02 -0.07 0.00 -1.18 0.00 0.00 32.58 30.17 2pqf s HIS 564 CO 0.15 -0.75 1.19 0.20 -0.65 0.00 0.00 174.74 174.88 2pqf s GLY 565 N 2.00 2.54 0.27 1.59 0.00 -1.26 -0.65 107.32 111.80 2pqf s GLY 565 Ca 0.07 0.89 0.01 0.00 0.00 0.00 0.00 44.72 45.69 2pqf s GLY 565 CO -0.26 1.94 0.24 -1.08 0.00 0.00 0.00 173.10 173.93 2pqf s THR 566 N 0.51 0.00 0.53 0.90 -1.32 -1.16 -4.43 115.64 110.66 2pqf s THR 566 Ca 0.56 -1.93 -0.16 0.00 -1.21 0.00 0.00 61.69 58.95 2pqf s THR 566 Cb -0.31 -2.49 -0.07 0.00 -1.51 0.00 0.00 72.50 68.12 2pqf s THR 566 CO 0.33 0.00 1.00 -0.44 -2.21 0.00 0.00 174.62 173.29 2pqf s SER 567 N -3.24 6.49 0.39 8.08 0.01 -1.26 -3.80 113.70 120.37 2pqf s SER 567 Ca 0.38 1.61 0.07 0.00 1.31 0.00 0.00 55.95 59.32 2pqf s SER 567 Cb 0.04 -2.51 0.81 0.00 0.21 0.00 0.00 66.02 64.56 2pqf s SER 567 CO 0.19 -0.68 2.00 0.00 0.41 0.00 0.00 173.24 175.15 2pqf h ALA 568 N 0.84 1.61 -0.04 1.44 0.00 -1.90 -1.89 119.26 119.31 2pqf h ALA 568 Ca -0.47 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.36 2pqf h ALA 568 Cb 1.19 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 2pqf h ALA 568 CO 0.61 0.31 0.06 -0.84 0.00 0.00 0.00 179.25 179.39 2pqf h ILE 569 N 0.46 0.36 -0.00 0.00 3.07 -1.95 -2.12 117.51 117.34 2pqf h ILE 569 Ca 0.11 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.52 2pqf h ILE 569 Cb 0.11 0.95 0.00 0.00 -0.27 0.00 0.00 36.82 37.61 2pqf h ILE 569 CO -0.01 0.00 -0.38 0.49 -1.05 0.00 0.00 178.15 177.20 2pqf n PHE 570 N -3.61 0.00 0.08 0.16 3.72 -0.71 -4.58 117.46 112.52 2pqf n PHE 570 Ca -0.02 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.26 2pqf n PHE 570 Cb 0.15 -0.28 -0.06 0.00 -0.94 0.00 0.00 39.48 38.35 2pqf n PHE 570 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 2pqf h VAL 571 N 0.11 0.74 -0.05 -4.37 2.07 -1.46 -0.76 116.25 112.52 2pqf h VAL 571 Ca 0.00 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.36 2pqf h VAL 571 Cb 0.49 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 2pqf h VAL 571 CO 0.00 0.00 -0.69 0.44 0.02 0.00 0.00 177.57 177.34 2pqf h ASP 572 N -0.22 0.29 -0.73 0.57 3.32 -1.81 -1.70 116.42 116.14 2pqf h ASP 572 Ca 0.02 -0.18 0.01 0.00 0.02 0.00 0.00 57.03 56.89 2pqf h ASP 572 Cb 0.23 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.66 2pqf h ASP 572 CO -0.06 0.89 0.48 0.00 -1.72 0.00 0.00 179.24 178.83 2pqf h ALA 573 N 1.11 0.93 -0.13 3.45 0.00 -1.78 -1.46 119.26 121.37 2pqf h ALA 573 Ca -0.02 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2pqf h ALA 573 Cb 1.24 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 2pqf h ALA 573 CO 0.11 0.35 -0.00 0.82 0.00 0.00 0.00 179.25 180.52 2pqf h ILE 574 N 0.99 1.25 -0.63 0.00 2.04 -0.76 0.51 117.51 120.92 2pqf h ILE 574 Ca 0.27 -0.83 0.14 0.00 1.00 0.00 0.00 64.86 65.43 2pqf h ILE 574 Cb -0.11 1.54 -0.04 0.00 -0.74 0.00 0.00 36.82 37.47 2pqf h ILE 574 CO -0.06 0.24 0.43 0.00 0.00 0.00 0.00 178.15 178.77 2pqf h GLN 576 N 0.27 0.23 0.00 0.00 4.15 -0.96 -3.43 115.11 115.37 2pqf h GLN 576 Ca 0.30 -0.39 0.00 0.00 0.77 0.00 0.00 58.65 59.33 2pqf h GLN 576 Cb 0.82 0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.65 2pqf h GLN 576 CO -0.07 1.19 0.00 0.00 -1.93 0.00 0.00 178.83 178.02 2pqf n GLN 577 N -3.84 1.99 -0.27 1.69 10.64 0.14 -4.95 117.38 122.78 2pqf n GLN 577 Ca -0.28 -1.17 0.03 0.00 -1.83 0.00 0.00 57.00 53.75 2pqf n GLN 577 Cb 0.93 -0.87 -0.02 0.00 -0.86 0.00 0.00 30.24 29.42 2pqf n GLN 577 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 2pqf n ASN 578 N -0.34 -1.53 -4.69 2.61 2.85 0.17 -4.90 115.26 109.43 2pqf n ASN 578 Ca 0.00 0.26 -0.40 0.00 -0.11 0.00 0.00 54.58 54.33 2pqf n ASN 578 Cb 0.30 -0.93 0.03 0.00 1.24 0.00 0.00 39.78 40.42 2pqf n ASN 578 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 2pqf n PHE 579 N -2.55 1.80 -3.40 1.20 3.72 -1.26 -4.52 117.46 112.46 2pqf n PHE 579 Ca -0.02 0.47 -0.13 0.00 -0.05 0.00 0.00 57.45 57.72 2pqf n PHE 579 Cb 0.13 -2.31 -0.10 0.00 -0.94 0.00 0.00 39.48 36.27 2pqf n PHE 579 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2pqf s ASP 580 N -0.83 0.79 0.29 4.37 2.15 -1.26 -4.94 116.67 117.24 2pqf s ASP 580 Ca 0.68 -0.09 0.22 0.00 0.43 0.00 0.00 52.55 53.79 2pqf s ASP 580 Cb -0.46 0.81 1.06 0.00 -0.30 0.00 0.00 42.92 44.03 2pqf s ASP 580 CO 0.53 -0.32 1.67 -2.67 -0.17 0.00 0.00 175.17 174.20 2pqf n TRP 581 N 5.34 0.75 1.06 -5.34 4.27 -1.26 -2.90 117.44 119.36 2pqf n TRP 581 Ca -0.04 0.35 0.13 0.00 -3.89 0.00 0.00 57.50 54.05 2pqf n TRP 581 Cb 0.49 -1.06 0.43 0.00 -1.36 0.00 0.00 31.31 29.81 2pqf n TRP 581 CO 0.00 0.00 0.00 0.54 -2.29 0.00 0.00 177.69 175.94 2pqf n ARG 582 N -2.23 0.12 0.31 -2.67 1.74 -1.26 -1.68 116.66 110.99 2pqf n ARG 582 Ca 0.00 -0.05 -0.18 0.00 -0.77 0.00 0.00 57.85 56.85 2pqf n ARG 582 Cb 0.12 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 29.97 2pqf n ARG 582 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2pqf h VAL 583 N 0.12 0.00 0.00 1.55 2.07 -1.99 -3.08 116.25 114.92 2pqf h VAL 583 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2pqf h VAL 583 Cb 0.48 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 2pqf h VAL 583 CO 0.00 0.00 -1.34 0.00 0.02 0.00 0.00 177.57 176.25 2pqf n GLY 585 N 1.28 -2.38 3.20 0.00 0.00 -0.67 -4.93 105.19 101.69 2pqf n GLY 585 Ca -0.01 -1.60 -0.31 0.00 0.00 0.00 0.00 46.02 44.11 2pqf n GLY 585 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pqf s VAL 586 N -0.55 1.94 -0.22 1.61 1.01 -1.26 -4.82 120.40 118.11 2pqf s VAL 586 Ca 0.00 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.04 2pqf s VAL 586 Cb 0.00 -1.67 0.05 0.00 0.00 0.00 0.00 36.38 34.76 2pqf s VAL 586 CO 0.00 0.53 -0.10 -2.28 0.00 0.00 0.00 175.10 173.25 2pqf s HIS 587 N 0.27 2.68 0.00 5.22 2.46 -1.26 -5.04 115.29 119.62 2pqf s HIS 587 Ca -0.15 -1.83 0.00 0.00 0.47 0.00 0.00 55.06 53.55 2pqf s HIS 587 Cb -0.17 -1.74 0.00 0.00 -0.13 0.00 0.00 32.58 30.55 2pqf s HIS 587 CO 0.07 -0.79 0.00 0.41 -2.47 0.00 0.00 174.74 171.96 2pqf n GLY 588 N 4.60 1.39 2.40 1.59 0.00 -1.26 -4.72 105.19 109.21 2pqf n GLY 588 Ca -0.15 -0.88 -0.35 0.00 0.00 0.00 0.00 46.02 44.65 2pqf n GLY 588 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2pqf n THR 589 N 0.00 4.52 -1.67 2.61 -2.24 -1.26 -4.96 114.28 111.28 2pqf n THR 589 Ca 0.00 -3.47 -0.31 0.00 -2.27 0.00 0.00 64.05 58.00 2pqf n THR 589 Cb 0.00 -2.10 0.04 0.00 -2.10 0.00 0.00 70.33 66.18 2pqf n THR 589 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2pqf s SER 590 N 0.89 5.52 -0.18 3.42 1.04 -1.26 -4.94 113.70 118.19 2pqf s SER 590 Ca 0.59 1.49 0.14 0.00 0.48 0.00 0.00 55.95 58.66 2pqf s SER 590 Cb 0.23 -2.40 0.73 0.00 0.10 0.00 0.00 66.02 64.69 2pqf s SER 590 CO -0.10 -1.34 1.63 -1.22 0.98 0.00 0.00 173.24 173.19 2pqf n TYR 591 N -3.05 1.76 0.00 5.02 4.01 -1.26 -2.64 117.16 120.99 2pqf n TYR 591 Ca 0.07 -0.63 0.00 0.00 -0.16 0.00 0.00 57.90 57.18 2pqf n TYR 591 Cb 0.54 -0.40 0.00 0.00 -0.31 0.00 0.00 39.34 39.17 2pqf n TYR 591 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2pqf n GLY 592 N 0.75 3.86 3.47 2.72 0.00 -0.84 -2.28 105.19 112.87 2pqf n GLY 592 Ca 0.25 -1.70 -0.44 0.00 0.00 0.00 0.00 46.02 44.13 2pqf n GLY 592 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pqf s LYS 593 N -2.86 4.09 0.25 1.61 1.02 -0.25 -4.88 119.74 118.70 2pqf s LYS 593 Ca 0.00 -2.54 -0.04 0.00 0.02 0.00 0.00 55.97 53.41 2pqf s LYS 593 Cb 0.00 -5.11 0.02 0.00 -0.52 0.00 0.00 37.83 32.22 2pqf s LYS 593 CO 0.00 -1.81 0.41 0.41 -0.92 0.00 0.00 175.35 173.43 2pqf n GLY 594 N 4.22 2.01 3.80 -3.33 0.00 -1.26 -4.81 105.19 105.82 2pqf n GLY 594 Ca 0.38 -1.40 -0.35 0.00 0.00 0.00 0.00 46.02 44.65 2pqf n GLY 594 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2pqf s SER 595 N -2.44 6.81 0.02 1.61 0.01 -0.52 -4.80 113.70 114.40 2pqf s SER 595 Ca 0.16 1.86 0.06 0.00 1.31 0.00 0.00 55.95 59.34 2pqf s SER 595 Cb -0.02 -2.56 -0.03 0.00 0.21 0.00 0.00 66.02 63.62 2pqf s SER 595 CO 0.12 -0.45 -0.14 -0.31 0.41 0.00 0.00 173.24 172.86 2pqf s TYR 596 N -1.91 2.67 0.02 2.43 1.51 -1.26 -0.75 117.35 120.06 2pqf s TYR 596 Ca 0.60 -0.19 -0.08 0.00 -1.01 0.00 0.00 57.07 56.40 2pqf s TYR 596 Cb -0.16 -1.52 0.00 0.00 -0.11 0.00 0.00 41.96 40.17 2pqf s TYR 596 CO 0.20 0.28 0.15 -0.06 -1.11 0.00 0.00 175.55 175.01 2pqf s PHE 597 N -0.93 0.07 0.03 2.71 0.08 -0.43 -4.74 117.98 114.76 2pqf s PHE 597 Ca 0.15 -0.22 0.06 0.00 0.12 0.00 0.00 56.93 57.04 2pqf s PHE 597 Cb -0.11 -0.06 -0.02 0.00 -0.57 0.00 0.00 43.02 42.27 2pqf s PHE 597 CO 0.06 -0.34 -0.17 0.00 -0.10 0.00 0.00 175.22 174.66 2pqf s ALA 598 N -1.89 1.44 0.17 5.36 0.00 0.04 -1.37 121.76 125.51 2pqf s ALA 598 Ca -0.11 -0.89 -0.13 0.00 0.00 0.00 0.00 51.96 50.84 2pqf s ALA 598 Cb -0.05 -0.28 0.06 0.00 0.00 0.00 0.00 23.12 22.85 2pqf s ALA 598 CO -0.01 0.31 1.74 -0.09 0.00 0.00 0.00 175.76 177.71 2pqf h ARG 599 N 5.10 0.82 -4.90 0.00 2.43 -1.13 0.82 114.38 117.51 2pqf h ARG 599 Ca -0.39 -0.13 -0.65 0.00 -0.81 0.00 0.00 59.98 58.00 2pqf h ARG 599 Cb 1.17 -0.14 -0.19 0.00 -0.42 0.00 0.00 29.97 30.38 2pqf h ARG 599 CO 0.45 0.69 -0.56 -0.51 -1.51 0.00 0.00 179.97 178.53 2pqf s ASP 600 N -5.99 5.69 0.34 -3.80 1.01 -1.26 -4.69 116.67 107.95 2pqf s ASP 600 Ca -0.13 -0.13 0.13 0.00 0.71 0.00 0.00 52.55 53.13 2pqf s ASP 600 Cb 0.12 -2.05 1.05 0.00 1.01 0.00 0.00 42.92 43.06 2pqf s ASP 600 CO 0.78 -0.06 1.65 0.00 0.21 0.00 0.00 175.17 177.75 2pqf h ALA 601 N 8.33 1.86 -0.60 5.23 0.00 -1.83 -0.40 119.26 131.85 2pqf h ALA 601 Ca -0.36 0.20 0.13 0.00 0.00 0.00 0.00 54.91 54.88 2pqf h ALA 601 Cb 1.18 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 19.14 2pqf h ALA 601 CO 0.57 -0.58 0.41 0.00 0.00 0.00 0.00 179.25 179.64 2pqf h ALA 602 N 1.85 2.19 0.00 0.00 0.00 -1.87 -1.54 119.26 119.89 2pqf h ALA 602 Ca 0.71 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 55.41 2pqf h ALA 602 Cb 1.63 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.35 2pqf h ALA 602 CO -0.63 -0.35 -0.96 -0.92 0.00 0.00 0.00 179.25 176.39 2pqf h TYR 603 N 0.27 0.00 0.00 0.00 3.20 -1.45 -3.22 116.97 115.77 2pqf h TYR 603 Ca 0.29 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.14 2pqf h TYR 603 Cb 0.76 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.02 2pqf h TYR 603 CO -0.00 0.96 -0.06 0.77 -1.64 0.00 0.00 178.16 178.19 2pqf h SER 604 N 0.00 0.00 -0.37 -2.11 0.02 -1.24 -3.35 113.55 106.50 2pqf h SER 604 Ca -0.01 0.00 0.08 0.00 -0.84 0.00 0.00 61.79 61.02 2pqf h SER 604 Cb 1.73 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 64.18 2pqf h SER 604 CO 0.12 0.06 -0.25 -0.74 -1.14 0.00 0.00 176.83 174.88 2pqf h HIS 605 N 0.00 -0.68 -1.13 3.45 -0.00 -1.48 -1.14 115.15 114.17 2pqf h HIS 605 Ca -0.00 0.05 0.38 0.00 -0.00 0.00 0.00 60.37 60.79 2pqf h HIS 605 Cb 0.69 0.35 -0.14 0.00 -0.00 0.00 0.00 27.41 28.31 2pqf h HIS 605 CO 0.00 -0.33 0.68 1.25 -0.00 0.00 0.00 177.93 179.54 2pqf h HIS 606 N -0.20 0.73 0.00 5.26 6.17 -1.78 0.68 115.15 126.01 2pqf h HIS 606 Ca 0.18 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.29 2pqf h HIS 606 Cb 0.48 -0.19 0.00 0.00 2.52 0.00 0.00 27.41 30.23 2pqf h HIS 606 CO -0.47 -0.21 -0.42 0.66 0.71 0.00 0.00 177.93 178.20 2pqf n TYR 607 N -4.90 0.13 -2.57 5.26 4.01 -0.47 -4.53 117.16 114.09 2pqf n TYR 607 Ca 0.34 0.04 -0.43 0.00 -0.16 0.00 0.00 57.90 57.69 2pqf n TYR 607 Cb 1.19 -0.39 0.00 0.00 -0.31 0.00 0.00 39.34 39.83 2pqf n TYR 607 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 2pqf n SER 608 N -1.63 4.92 -4.69 7.72 7.64 0.23 -3.31 113.62 124.50 2pqf n SER 608 Ca 0.05 -2.96 -0.42 0.00 1.01 0.00 0.00 58.87 56.55 2pqf n SER 608 Cb 0.36 -1.63 -0.03 0.00 -1.01 0.00 0.00 64.21 61.90 2pqf n SER 608 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2pqf s LYS 609 N 2.58 4.36 0.06 1.43 1.02 -1.25 -4.70 119.74 123.24 2pqf s LYS 609 Ca 0.47 1.72 0.00 0.00 0.02 0.00 0.00 55.97 58.18 2pqf s LYS 609 Cb 0.04 -3.52 -0.04 0.00 -0.52 0.00 0.00 37.83 33.79 2pqf s LYS 609 CO 0.02 -0.42 -0.05 0.45 -0.92 0.00 0.00 175.35 174.43 2pqf s SER 610 N 1.44 0.73 -0.02 2.83 0.15 -1.26 -4.42 113.70 113.15 2pqf s SER 610 Ca 0.57 -0.94 0.19 0.00 0.70 0.00 0.00 55.95 56.47 2pqf s SER 610 Cb -0.26 0.15 -0.27 0.00 -1.71 0.00 0.00 66.02 63.92 2pqf s SER 610 CO 0.24 -0.51 0.56 0.47 1.20 0.00 0.00 173.24 175.20 2pqf n ASP 611 N 0.23 0.66 -1.12 5.45 8.00 -1.26 -4.75 116.55 123.76 2pqf n ASP 611 Ca -0.15 -0.32 0.10 0.00 0.71 0.00 0.00 54.79 55.13 2pqf n ASP 611 Cb 0.60 1.59 0.27 0.00 -0.02 0.00 0.00 41.12 43.56 2pqf n ASP 611 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2pqf n THR 612 N -1.93 1.00 0.00 -3.53 -2.24 -1.26 -4.95 114.28 101.38 2pqf n THR 612 Ca -0.01 -1.00 0.00 0.00 -2.27 0.00 0.00 64.05 60.77 2pqf n THR 612 Cb 0.44 0.50 0.00 0.00 -2.10 0.00 0.00 70.33 69.17 2pqf n THR 612 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pqf n GLN 613 N 1.28 0.00 -2.72 -0.78 6.02 -1.26 -4.90 117.38 115.02 2pqf n GLN 613 Ca 0.20 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.77 2pqf n GLN 613 Cb 0.56 -2.63 -0.03 0.00 1.02 0.00 0.00 30.24 29.16 2pqf n GLN 613 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2pqf s THR 614 N -0.99 4.78 0.22 5.09 2.01 -1.26 -3.83 115.64 121.67 2pqf s THR 614 Ca 0.00 1.96 0.11 0.00 0.31 0.00 0.00 61.69 64.07 2pqf s THR 614 Cb 0.00 -4.28 -0.04 0.00 0.01 0.00 0.00 72.50 68.19 2pqf s THR 614 CO 0.00 -0.03 -0.16 -1.00 -0.69 0.00 0.00 174.62 172.74 2pqf s HIS 615 N 2.26 2.44 0.19 4.92 3.76 -0.19 -4.75 115.29 123.92 2pqf s HIS 615 Ca 0.46 -0.30 0.04 0.00 -0.15 0.00 0.00 55.06 55.11 2pqf s HIS 615 Cb -0.17 -1.15 -0.05 0.00 1.11 0.00 0.00 32.58 32.31 2pqf s HIS 615 CO 0.15 0.57 -0.04 0.99 -0.85 0.00 0.00 174.74 175.55 2pqf s THR 616 N -1.95 1.07 0.00 1.30 2.01 -1.26 -0.80 115.64 116.01 2pqf s THR 616 Ca 0.25 -2.04 0.06 0.00 0.31 0.00 0.00 61.69 60.27 2pqf s THR 616 Cb -0.07 -2.12 -0.02 0.00 0.01 0.00 0.00 72.50 70.29 2pqf s THR 616 CO 0.14 -0.51 -0.20 -0.36 -0.69 0.00 0.00 174.62 173.00 2pqf s PHE 618 N -3.39 1.77 -0.30 4.92 0.08 0.17 -3.00 117.98 118.22 2pqf s PHE 618 Ca 0.23 -0.34 -0.16 0.00 0.12 0.00 0.00 56.93 56.78 2pqf s PHE 618 Cb 0.04 -1.11 -0.02 0.00 -0.57 0.00 0.00 43.02 41.36 2pqf s PHE 618 CO 0.05 0.00 0.43 -1.17 -0.10 0.00 0.00 175.22 174.43 2pqf s LEU 619 N -0.65 4.18 0.17 -0.37 2.96 -0.61 -0.96 118.68 123.40 2pqf s LEU 619 Ca 0.07 0.17 0.06 0.00 -0.22 0.00 0.00 54.13 54.22 2pqf s LEU 619 Cb -0.08 -2.49 -0.04 0.00 0.50 0.00 0.00 46.19 44.08 2pqf s LEU 619 CO -0.00 -0.30 0.05 0.00 -1.32 0.00 0.00 176.35 174.78 2pqf s ALA 620 N 2.18 3.35 -0.35 5.97 0.00 0.12 -1.75 121.76 131.29 2pqf s ALA 620 Ca 0.16 -1.31 -0.16 0.00 0.00 0.00 0.00 51.96 50.65 2pqf s ALA 620 Cb -0.16 -1.14 -0.01 0.00 0.00 0.00 0.00 23.12 21.81 2pqf s ALA 620 CO 0.11 0.49 0.43 0.50 0.00 0.00 0.00 175.76 177.29 2pqf s ARG 621 N -3.01 3.56 -0.13 0.00 3.52 -0.04 -1.29 118.95 121.56 2pqf s ARG 621 Ca 0.29 -0.34 0.02 0.00 -0.13 0.00 0.00 55.73 55.58 2pqf s ARG 621 Cb -0.10 -3.82 0.01 0.00 -1.56 0.00 0.00 34.95 29.49 2pqf s ARG 621 CO 0.21 -0.59 -0.21 0.08 -0.81 0.00 0.00 175.30 173.98 2pqf s VAL 622 N 2.17 1.93 -1.07 7.11 1.01 0.14 -0.65 120.40 131.05 2pqf s VAL 622 Ca 0.15 -0.90 -0.19 0.00 0.00 0.00 0.00 61.98 61.03 2pqf s VAL 622 Cb -0.16 -1.71 0.10 0.00 0.00 0.00 0.00 36.38 34.61 2pqf s VAL 622 CO 0.12 0.52 1.39 -0.76 0.00 0.00 0.00 175.10 176.37 2pqf s LEU 623 N 0.81 4.33 0.32 3.92 1.43 0.05 0.41 118.68 129.96 2pqf s LEU 623 Ca -0.08 -2.07 0.18 0.00 -1.03 0.00 0.00 54.13 51.13 2pqf s LEU 623 Cb -0.16 -2.49 0.15 0.00 0.03 0.00 0.00 46.19 43.72 2pqf s LEU 623 CO -0.01 -1.18 1.47 -0.37 0.23 0.00 0.00 176.35 176.49 2pqf h VAL 624 N 5.92 0.55 0.00 -1.59 -1.51 -1.50 -3.47 116.25 114.65 2pqf h VAL 624 Ca 0.25 -1.78 0.00 0.00 -1.23 0.00 0.00 66.70 63.93 2pqf h VAL 624 Cb 0.97 2.25 0.00 0.00 -2.13 0.00 0.00 31.29 32.38 2pqf h VAL 624 CO 1.30 0.31 0.00 0.61 -1.23 0.00 0.00 177.57 178.56 2pqf n GLY 625 N 1.19 3.05 3.81 5.19 0.00 -0.66 -3.44 105.19 114.33 2pqf n GLY 625 Ca 0.02 -0.28 -0.36 0.00 0.00 0.00 0.00 46.02 45.40 2pqf n GLY 625 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pqf s GLU 626 N 0.00 3.81 0.12 1.61 2.02 -1.26 -4.49 118.70 120.51 2pqf s GLU 626 Ca 0.00 -0.12 0.05 0.00 0.02 0.00 0.00 54.97 54.92 2pqf s GLU 626 Cb 0.00 -3.30 -0.04 0.00 0.10 0.00 0.00 34.13 30.90 2pqf s GLU 626 CO 0.00 0.55 -0.13 -0.59 0.02 0.00 0.00 175.26 175.11 2pqf s PHE 627 N -0.40 1.32 0.11 1.61 -0.12 -1.26 0.27 117.98 119.52 2pqf s PHE 627 Ca 0.13 -0.58 0.03 0.00 -0.05 0.00 0.00 56.93 56.45 2pqf s PHE 627 Cb -0.12 -0.70 -0.04 0.00 -0.63 0.00 0.00 43.02 41.53 2pqf s PHE 627 CO 0.02 0.11 -0.08 0.54 -0.05 0.00 0.00 175.22 175.77 2pqf s VAL 628 N -2.26 0.84 0.29 -2.49 0.11 -1.16 -4.97 120.40 110.75 2pqf s VAL 628 Ca 0.09 -1.98 -0.30 0.00 -2.93 0.00 0.00 61.98 56.86 2pqf s VAL 628 Cb -0.04 -1.74 -0.12 0.00 -1.53 0.00 0.00 36.38 32.94 2pqf s VAL 628 CO 0.02 -0.83 1.47 0.54 -3.33 0.00 0.00 175.10 172.98 2pqf n ARG 629 N -0.09 2.37 -1.59 1.54 1.74 -1.26 -1.40 116.66 117.96 2pqf n ARG 629 Ca -0.11 0.84 -0.29 0.00 -0.77 0.00 0.00 57.85 57.52 2pqf n ARG 629 Cb 0.61 -2.54 0.13 0.00 -1.02 0.00 0.00 32.46 29.64 2pqf n ARG 629 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2pqf s GLY 630 N 0.22 1.58 -0.09 -0.13 0.00 0.20 -4.73 107.32 104.38 2pqf s GLY 630 Ca 0.63 -0.55 -0.23 0.00 0.00 0.00 0.00 44.72 44.57 2pqf s GLY 630 CO 0.53 0.00 0.54 0.21 0.00 0.00 0.00 173.10 174.38 2pqf s ASN 631 N -4.11 -0.50 0.54 1.64 3.84 -0.97 -4.89 114.94 110.49 2pqf s ASN 631 Ca 0.64 0.65 0.27 0.00 0.21 0.00 0.00 52.86 54.63 2pqf s ASN 631 Cb -0.14 0.65 1.54 0.00 -0.55 0.00 0.00 41.25 42.74 2pqf s ASN 631 CO 0.53 -0.44 2.12 0.00 -2.79 0.00 0.00 177.10 176.52 2pqf h ALA 632 N 3.90 1.38 0.00 1.71 0.00 -1.76 -1.92 119.26 122.57 2pqf h ALA 632 Ca -0.28 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2pqf h ALA 632 Cb 1.16 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2pqf h ALA 632 CO 0.32 0.11 0.00 -1.13 0.00 0.00 0.00 179.25 178.55 2pqf n SER 633 N -3.74 0.65 -4.71 0.00 3.41 -1.26 -4.50 113.62 103.46 2pqf n SER 633 Ca -0.02 0.56 -0.42 0.00 -0.26 0.00 0.00 58.87 58.73 2pqf n SER 633 Cb 0.19 -0.74 -0.03 0.00 -0.26 0.00 0.00 64.21 63.37 2pqf n SER 633 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2pqf s PHE 634 N -3.08 3.34 -1.48 7.33 0.08 -0.78 -4.89 117.98 118.50 2pqf s PHE 634 Ca 0.11 1.18 0.19 0.00 0.12 0.00 0.00 56.93 58.53 2pqf s PHE 634 Cb 0.14 -3.50 -0.07 0.00 -0.57 0.00 0.00 43.02 39.02 2pqf s PHE 634 CO 0.58 -1.64 0.91 1.33 -0.10 0.00 0.00 175.22 176.30 2pqf n VAL 635 N 4.00 0.00 -3.51 -0.44 0.24 -1.26 -1.10 118.33 116.26 2pqf n VAL 635 Ca 0.10 -0.22 -0.10 0.00 -2.04 0.00 0.00 64.34 62.07 2pqf n VAL 635 Cb 0.45 1.16 -0.02 0.00 -1.47 0.00 0.00 33.84 33.96 2pqf n VAL 635 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2pqf s ARG 636 N -2.36 1.26 0.63 7.34 1.70 -1.26 -4.91 118.95 121.34 2pqf s ARG 636 Ca 0.13 -0.52 -0.16 0.00 -0.47 0.00 0.00 55.73 54.72 2pqf s ARG 636 Cb 0.15 0.54 -0.02 0.00 -0.57 0.00 0.00 34.95 35.05 2pqf s ARG 636 CO 0.57 -0.56 1.09 -2.14 -1.08 0.00 0.00 175.30 173.19 2pqf s PRO 637 N -3.63 3.03 0.85 3.89 0.02 -1.26 -5.02 135.00 132.88 2pqf s PRO 637 Ca 0.04 1.34 -0.12 0.00 0.02 0.00 0.00 61.00 62.28 2pqf s PRO 637 Cb -0.02 -1.98 0.10 0.00 0.02 0.00 0.00 34.50 32.62 2pqf s PRO 637 CO -0.09 -1.06 1.10 -1.25 -0.33 0.00 0.00 177.00 175.38 2pqf s PRO 638 N -4.02 1.68 0.32 5.54 0.04 -1.26 -4.68 135.00 132.62 2pqf s PRO 638 Ca 0.66 0.60 -0.29 0.00 0.04 0.00 0.00 61.00 62.02 2pqf s PRO 638 Cb -0.19 -1.88 -0.10 0.00 0.04 0.00 0.00 34.50 32.37 2pqf s PRO 638 CO 0.39 -1.89 1.26 0.00 0.04 0.00 0.00 177.00 176.79 2pqf s ALA 639 N -3.13 3.46 -0.25 8.56 0.00 -1.26 -1.82 121.76 127.32 2pqf s ALA 639 Ca 0.62 1.18 -0.29 0.00 0.00 0.00 0.00 51.96 53.47 2pqf s ALA 639 Cb -0.15 -3.44 -0.01 0.00 0.00 0.00 0.00 23.12 19.51 2pqf s ALA 639 CO 0.55 -0.54 1.43 0.15 0.00 0.00 0.00 175.76 177.34 2pqf s LYS 640 N -1.75 3.90 0.64 0.00 1.02 0.94 -4.79 119.74 119.69 2pqf s LYS 640 Ca 0.48 1.46 -0.14 0.00 0.02 0.00 0.00 55.97 57.79 2pqf s LYS 640 Cb -0.38 -3.93 -0.01 0.00 -0.52 0.00 0.00 37.83 32.99 2pqf s LYS 640 CO 0.50 -1.15 1.07 -1.83 -0.92 0.00 0.00 175.35 173.03 2pqf s GLU 641 N 4.31 3.05 0.00 1.68 4.04 -1.26 -3.39 118.70 127.12 2pqf s GLU 641 Ca 0.62 1.22 0.00 0.00 0.04 0.00 0.00 54.97 56.85 2pqf s GLU 641 Cb -0.21 -1.99 0.00 0.00 0.02 0.00 0.00 34.13 31.95 2pqf s GLU 641 CO 0.25 -1.03 0.00 0.41 -1.84 0.00 0.00 175.26 173.05 2pqf n GLY 642 N -1.01 1.98 3.77 -3.83 0.00 -1.26 -4.98 105.19 99.87 2pqf n GLY 642 Ca 0.09 -0.26 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 2pqf n GLY 642 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2pqf s TRP 643 N 0.00 2.63 -0.44 1.61 0.52 -1.22 -4.92 118.94 117.13 2pqf s TRP 643 Ca 0.00 1.08 -0.28 0.00 0.02 0.00 0.00 56.10 56.92 2pqf s TRP 643 Cb 0.00 -4.03 -0.02 0.00 -1.15 0.00 0.00 33.47 28.27 2pqf s TRP 643 CO 0.00 -3.13 1.78 -1.12 0.02 0.00 0.00 176.95 174.49 2pqf s SER 644 N 0.01 5.72 -1.48 2.95 0.01 -1.26 -4.04 113.70 115.61 2pqf s SER 644 Ca 0.55 0.92 -0.12 0.00 1.31 0.00 0.00 55.95 58.61 2pqf s SER 644 Cb -0.47 -2.53 0.06 0.00 0.21 0.00 0.00 66.02 63.30 2pqf s SER 644 CO 0.59 -1.91 0.98 -3.20 0.41 0.00 0.00 173.24 170.12 2pqf n ASN 645 N 10.98 -5.24 -4.72 2.44 5.15 -1.26 -4.99 115.26 117.62 2pqf n ASN 645 Ca 0.21 -0.67 -0.34 0.00 -0.60 0.00 0.00 54.58 53.19 2pqf n ASN 645 Cb 0.49 -4.17 -0.08 0.00 -0.53 0.00 0.00 39.78 35.48 2pqf n ASN 645 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2pqf s ALA 646 N -3.27 3.40 0.13 5.20 0.00 -1.26 -5.05 121.76 120.91 2pqf s ALA 646 Ca 0.61 -0.86 0.08 0.00 0.00 0.00 0.00 51.96 51.80 2pqf s ALA 646 Cb -0.30 -1.49 -0.04 0.00 0.00 0.00 0.00 23.12 21.29 2pqf s ALA 646 CO 0.76 0.64 -0.20 -0.06 0.00 0.00 0.00 175.76 176.90 2pqf s PHE 647 N -1.05 1.83 0.88 0.00 0.08 -1.26 -0.04 117.98 118.41 2pqf s PHE 647 Ca 0.18 -0.43 -0.11 0.00 0.12 0.00 0.00 56.93 56.69 2pqf s PHE 647 Cb -0.12 -0.97 0.12 0.00 -0.57 0.00 0.00 43.02 41.49 2pqf s PHE 647 CO 0.08 0.26 1.11 0.71 -0.10 0.00 0.00 175.22 177.28 2pqf s TYR 648 N -1.50 2.07 -0.13 0.36 2.02 -0.76 -4.77 117.35 114.65 2pqf s TYR 648 Ca 0.10 1.58 0.18 0.00 -0.37 0.00 0.00 57.07 58.57 2pqf s TYR 648 Cb -0.08 -3.18 -0.22 0.00 -0.40 0.00 0.00 41.96 38.07 2pqf s TYR 648 CO 0.05 -2.44 0.49 -0.25 -1.57 0.00 0.00 175.55 171.83 2pqf n ASP 649 N -3.96 0.37 -3.49 2.29 8.00 0.14 -4.69 116.55 115.20 2pqf n ASP 649 Ca 0.09 0.16 -0.09 0.00 0.71 0.00 0.00 54.79 55.66 2pqf n ASP 649 Cb 0.53 0.88 -0.02 0.00 -0.02 0.00 0.00 41.12 42.50 2pqf n ASP 649 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2pqf s SER 650 N -5.38 0.05 0.07 -2.24 1.04 -1.19 -4.75 113.70 101.30 2pqf s SER 650 Ca -0.06 -0.99 0.08 0.00 0.48 0.00 0.00 55.95 55.46 2pqf s SER 650 Cb 0.09 0.73 -0.03 0.00 0.10 0.00 0.00 66.02 66.91 2pqf s SER 650 CO 0.84 -1.41 -0.23 0.00 0.98 0.00 0.00 173.24 173.43 2pqf s VAL 652 N -0.92 0.76 0.04 0.00 -7.23 -0.50 -0.45 120.40 112.10 2pqf s VAL 652 Ca 0.09 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.28 2pqf s VAL 652 Cb -0.09 -2.40 -0.25 0.00 0.56 0.00 0.00 36.38 34.20 2pqf s VAL 652 CO 0.03 0.00 0.97 -0.55 -0.31 0.00 0.00 175.10 175.24 2pqf h ASN 653 N 1.79 0.20 -3.13 4.85 -1.07 -1.86 0.60 115.58 116.96 2pqf h ASN 653 Ca -0.37 -0.27 -0.16 0.00 0.07 0.00 0.00 56.30 55.57 2pqf h ASN 653 Cb 1.27 -0.07 -0.29 0.00 -2.07 0.00 0.00 38.32 37.17 2pqf h ASN 653 CO 0.61 1.22 -0.41 -0.55 0.07 0.00 0.00 177.43 178.37 2pqf s SER 654 N -6.75 -0.26 0.13 6.14 0.15 -1.26 -4.91 113.70 106.94 2pqf s SER 654 Ca -0.05 0.73 -0.12 0.00 0.70 0.00 0.00 55.95 57.21 2pqf s SER 654 Cb 0.08 0.70 -0.06 0.00 -1.71 0.00 0.00 66.02 65.03 2pqf s SER 654 CO 0.84 -0.20 1.46 -0.37 1.20 0.00 0.00 173.24 176.17 2pqf h VAL 655 N 5.85 1.28 0.00 4.45 -1.51 -1.94 -1.99 116.25 122.40 2pqf h VAL 655 Ca -0.32 -1.56 -0.08 0.00 -1.23 0.00 0.00 66.70 63.51 2pqf h VAL 655 Cb 1.15 1.44 -0.01 0.00 -2.13 0.00 0.00 31.29 31.75 2pqf h VAL 655 CO 0.28 0.52 -0.36 0.77 -1.23 0.00 0.00 177.57 177.55 2pqf h SER 656 N 0.70 0.00 -0.94 4.19 4.64 -2.00 -3.37 113.55 116.77 2pqf h SER 656 Ca 0.05 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 61.04 2pqf h SER 656 Cb 0.98 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 62.84 2pqf h SER 656 CO 0.09 0.36 -0.70 -0.67 -0.87 0.00 0.00 176.83 175.04 2pqf n ASP 657 N -3.62 -1.98 -4.71 4.97 2.03 -1.21 -5.14 116.55 106.90 2pqf n ASP 657 Ca -0.01 -2.98 -0.42 0.00 0.52 0.00 0.00 54.79 51.90 2pqf n ASP 657 Cb 0.47 0.94 -0.03 0.00 -0.72 0.00 0.00 41.12 41.79 2pqf n ASP 657 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2pqf s PRO 658 N 0.19 4.34 0.00 -0.67 0.04 -0.75 -4.52 135.00 133.63 2pqf s PRO 658 Ca 0.32 1.95 0.00 0.00 0.04 0.00 0.00 61.00 63.31 2pqf s PRO 658 Cb 0.15 -3.37 0.00 0.00 0.04 0.00 0.00 34.50 31.33 2pqf s PRO 658 CO -0.17 -0.42 0.00 -1.13 0.04 0.00 0.00 177.00 175.32 2pqf n SER 659 N 4.33 3.11 -4.13 6.66 3.41 -1.26 -4.84 113.62 120.91 2pqf n SER 659 Ca 0.11 -0.05 -0.27 0.00 -0.26 0.00 0.00 58.87 58.40 2pqf n SER 659 Cb 0.44 0.73 -0.16 0.00 -0.26 0.00 0.00 64.21 64.95 2pqf n SER 659 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2pqf s ILE 660 N -1.35 1.52 -0.02 -1.33 1.01 -1.26 -0.52 121.20 119.25 2pqf s ILE 660 Ca 0.00 -0.73 0.06 0.00 0.00 0.00 0.00 60.65 59.97 2pqf s ILE 660 Cb 0.00 -1.33 -0.01 0.00 0.01 0.00 0.00 42.46 41.13 2pqf s ILE 660 CO 0.00 0.44 -0.19 -0.36 0.00 0.00 0.00 174.94 174.83 2pqf s PHE 661 N 0.31 1.69 -0.18 3.97 0.08 -0.47 -2.92 117.98 120.46 2pqf s PHE 661 Ca -0.11 -0.34 -0.01 0.00 0.12 0.00 0.00 56.93 56.58 2pqf s PHE 661 Cb -0.15 -1.10 0.00 0.00 -0.57 0.00 0.00 43.02 41.21 2pqf s PHE 661 CO 0.04 -0.05 -0.12 0.08 -0.10 0.00 0.00 175.22 175.07 2pqf s VAL 662 N -0.37 2.79 -0.20 -0.44 1.01 0.40 -1.32 120.40 122.27 2pqf s VAL 662 Ca 0.06 -0.71 -0.03 0.00 0.00 0.00 0.00 61.98 61.30 2pqf s VAL 662 Cb -0.08 -2.21 -0.01 0.00 0.00 0.00 0.00 36.38 34.08 2pqf s VAL 662 CO -0.00 0.49 -0.05 -0.63 0.00 0.00 0.00 175.10 174.90 2pqf s ILE 663 N 1.14 3.40 -0.97 2.22 -1.09 0.07 -2.22 121.20 123.75 2pqf s ILE 663 Ca 0.01 -0.50 0.21 0.00 -2.23 0.00 0.00 60.65 58.15 2pqf s ILE 663 Cb -0.14 -2.52 -0.21 0.00 -1.58 0.00 0.00 42.46 38.00 2pqf s ILE 663 CO -0.04 0.45 0.93 0.49 -1.23 0.00 0.00 174.94 175.53 2pqf n PHE 664 N 4.45 0.00 -4.28 3.97 3.72 -1.26 -1.44 117.46 122.62 2pqf n PHE 664 Ca -0.18 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 56.92 2pqf n PHE 664 Cb 0.51 -0.04 -0.17 0.00 -0.94 0.00 0.00 39.48 38.85 2pqf n PHE 664 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 2pqf s GLU 665 N -3.01 2.36 0.26 -1.08 2.56 -1.26 -5.01 118.70 113.52 2pqf s GLU 665 Ca 0.08 -0.60 0.10 0.00 0.00 0.00 0.00 54.97 54.55 2pqf s GLU 665 Cb 0.16 -2.06 0.32 0.00 2.00 0.00 0.00 34.13 34.55 2pqf s GLU 665 CO 0.86 -0.14 1.59 1.57 -0.56 0.00 0.00 175.26 178.58 2pqf h LYS 666 N 7.69 0.01 0.00 4.30 2.10 -1.92 -2.38 116.57 126.38 2pqf h LYS 666 Ca -0.35 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.30 2pqf h LYS 666 Cb 1.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 2pqf h LYS 666 CO 0.52 0.65 0.25 0.45 -2.00 0.00 0.00 179.45 179.31 2pqf h HIS 667 N 0.01 0.00 -0.01 0.07 3.86 -1.95 0.14 115.15 117.27 2pqf h HIS 667 Ca -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 2pqf h HIS 667 Cb 1.13 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.60 2pqf h HIS 667 CO 0.00 0.00 0.00 1.04 0.86 0.00 0.00 177.93 179.83 2pqf n GLN 668 N -2.84 1.02 -4.46 2.45 6.02 -0.89 -4.13 117.38 114.54 2pqf n GLN 668 Ca -0.02 -0.02 -0.20 0.00 -0.01 0.00 0.00 57.00 56.74 2pqf n GLN 668 Cb 0.29 -1.12 -0.15 0.00 1.02 0.00 0.00 30.24 30.28 2pqf n GLN 668 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2pqf s VAL 669 N -1.99 0.86 -0.15 5.09 1.01 0.48 -0.77 120.40 124.93 2pqf s VAL 669 Ca 0.12 -0.43 0.02 0.00 0.00 0.00 0.00 61.98 61.68 2pqf s VAL 669 Cb 0.05 -0.74 0.02 0.00 0.00 0.00 0.00 36.38 35.71 2pqf s VAL 669 CO 0.09 0.25 -0.20 -0.47 0.00 0.00 0.00 175.10 174.78 2pqf s TYR 670 N -0.05 2.55 -0.39 5.22 5.04 0.18 -4.88 117.35 125.02 2pqf s TYR 670 Ca 0.01 -1.37 -0.29 0.00 -2.44 0.00 0.00 57.07 52.98 2pqf s TYR 670 Cb -0.06 -1.77 0.01 0.00 0.35 0.00 0.00 41.96 40.48 2pqf s TYR 670 CO 0.00 -0.66 1.44 -1.25 -1.34 0.00 0.00 175.55 173.74 2pqf s PRO 671 N 1.06 3.58 -0.25 4.97 0.04 -1.26 -0.86 135.00 142.28 2pqf s PRO 671 Ca -0.02 1.01 -0.09 0.00 0.04 0.00 0.00 61.00 61.94 2pqf s PRO 671 Cb -0.14 -4.03 -0.16 0.00 0.04 0.00 0.00 34.50 30.21 2pqf s PRO 671 CO -0.06 -1.55 -0.19 -1.91 0.04 0.00 0.00 177.00 173.33 2pqf n GLU 672 N 8.04 0.62 -4.02 4.56 2.13 -0.95 -4.63 120.64 126.40 2pqf n GLU 672 Ca 0.17 0.26 -0.14 0.00 0.66 0.00 0.00 57.16 58.12 2pqf n GLU 672 Cb 0.48 -1.55 -0.14 0.00 0.27 0.00 0.00 31.44 30.50 2pqf n GLU 672 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 2pqf s TYR 673 N -2.50 0.27 -0.28 4.31 2.02 -0.72 -0.92 117.35 119.53 2pqf s TYR 673 Ca -0.35 -0.11 -0.10 0.00 -0.37 0.00 0.00 57.07 56.14 2pqf s TYR 673 Cb 0.11 -0.17 -0.04 0.00 -0.40 0.00 0.00 41.96 41.46 2pqf s TYR 673 CO 0.56 -0.02 0.17 0.08 -1.57 0.00 0.00 175.55 174.77 2pqf s VAL 674 N -0.24 5.02 -0.26 0.71 1.01 -0.42 -1.57 120.40 124.66 2pqf s VAL 674 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 61.98 61.90 2pqf s VAL 674 Cb -0.02 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 32.91 2pqf s VAL 674 CO -0.00 0.23 0.09 -0.63 0.00 0.00 0.00 175.10 174.78 2pqf s ILE 675 N 1.71 4.38 -0.18 2.22 1.01 -1.26 -1.80 121.20 127.28 2pqf s ILE 675 Ca 0.07 -0.20 -0.08 0.00 0.00 0.00 0.00 60.65 60.44 2pqf s ILE 675 Cb -0.16 -3.08 -0.04 0.00 0.01 0.00 0.00 42.46 39.19 2pqf s ILE 675 CO 0.09 0.30 0.08 -1.10 0.00 0.00 0.00 174.94 174.31 2pqf s GLN 676 N 1.62 4.02 0.12 2.79 -0.21 0.01 -4.23 119.66 123.79 2pqf s GLN 676 Ca 0.06 -0.31 -0.03 0.00 0.02 0.00 0.00 55.36 55.11 2pqf s GLN 676 Cb -0.15 -3.27 -0.03 0.00 1.00 0.00 0.00 33.01 30.56 2pqf s GLN 676 CO 0.04 0.30 0.09 1.52 -2.12 0.00 0.00 175.29 175.12 2pqf s TYR 677 N 0.33 0.71 0.01 0.91 -0.85 0.02 -0.47 117.35 118.01 2pqf s TYR 677 Ca 0.05 -1.11 0.08 0.00 -0.52 0.00 0.00 57.07 55.57 2pqf s TYR 677 Cb -0.12 -0.38 -0.02 0.00 0.38 0.00 0.00 41.96 41.82 2pqf s TYR 677 CO -0.00 -0.54 -0.24 0.99 -1.52 0.00 0.00 175.55 174.24 2pqf s THR 678 N -4.01 1.92 0.12 -3.49 2.01 0.18 -1.03 115.64 111.34 2pqf s THR 678 Ca 0.20 -1.15 -0.28 0.00 0.31 0.00 0.00 61.69 60.76 2pqf s THR 678 Cb 0.07 -1.62 -0.06 0.00 0.01 0.00 0.00 72.50 70.90 2pqf s THR 678 CO -0.01 0.43 1.60 0.74 -0.69 0.00 0.00 174.62 176.69 2pqf h THR 679 N 4.42 0.22 -0.03 -0.82 2.02 -1.86 0.12 112.91 116.98 2pqf h THR 679 Ca -0.43 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.75 2pqf h THR 679 Cb 1.14 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 2pqf h THR 679 CO 0.46 0.00 0.00 -1.54 0.37 0.00 0.00 175.52 174.81