#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 3.32 3.35 0.55 0.00 -1.26 -4.94 105.19 106.21 2pqf n GLY 497 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.74 0.03 0.04 1.61 -0.12 -1.26 -4.35 117.98 111.18 2pqf s PHE 498 Ca 0.00 -0.39 0.04 0.00 -0.05 0.00 0.00 56.93 56.54 2pqf s PHE 498 Cb 0.00 0.15 -0.02 0.00 -0.63 0.00 0.00 43.02 42.52 2pqf s PHE 498 CO 0.00 -0.73 -0.13 -0.65 -0.05 0.00 0.00 175.22 173.66 2pqf s GLN 499 N -3.87 0.85 -0.22 1.99 1.11 -0.15 -5.01 119.66 114.36 2pqf s GLN 499 Ca 0.08 -0.73 -0.04 0.00 0.01 0.00 0.00 55.36 54.68 2pqf s GLN 499 Cb 0.02 -0.83 -0.01 0.00 -1.01 0.00 0.00 33.01 31.18 2pqf s GLN 499 CO -0.07 0.20 -0.03 0.15 0.01 0.00 0.00 175.29 175.55 2pqf s LYS 500 N -1.14 3.41 -0.33 2.91 1.02 -1.26 -0.93 119.74 123.41 2pqf s LYS 500 Ca 0.00 -0.61 -0.10 0.00 0.02 0.00 0.00 55.97 55.28 2pqf s LYS 500 Cb -0.08 -3.03 -0.00 0.00 -0.52 0.00 0.00 37.83 34.20 2pqf s LYS 500 CO 0.01 -0.19 0.17 0.42 -0.92 0.00 0.00 175.35 174.84 2pqf s ILE 501 N 1.47 4.67 -0.48 2.17 1.09 -0.02 -4.90 121.20 125.20 2pqf s ILE 501 Ca 0.06 -0.48 -0.29 0.00 -1.10 0.00 0.00 60.65 58.84 2pqf s ILE 501 Cb -0.14 -3.42 0.03 0.00 -1.06 0.00 0.00 42.46 37.86 2pqf s ILE 501 CO -0.03 0.00 1.13 -0.89 -0.10 0.00 0.00 174.94 175.06 2pqf s THR 502 N 1.61 4.21 0.47 2.92 2.01 -1.26 -0.02 115.64 125.59 2pqf s THR 502 Ca 0.04 1.20 -0.20 0.00 0.31 0.00 0.00 61.69 63.04 2pqf s THR 502 Cb -0.17 -4.60 -0.09 0.00 0.01 0.00 0.00 72.50 67.65 2pqf s THR 502 CO 0.07 -1.01 1.03 -0.76 -0.69 0.00 0.00 174.62 173.26 2pqf s LEU 503 N 4.43 3.87 0.15 4.42 1.43 -0.46 -5.00 118.68 127.53 2pqf s LEU 503 Ca 0.47 1.90 -0.31 0.00 -1.03 0.00 0.00 54.13 55.16 2pqf s LEU 503 Cb -0.07 -4.54 -0.09 0.00 0.03 0.00 0.00 46.19 41.51 2pqf s LEU 503 CO 0.32 -0.72 1.48 -0.55 0.23 0.00 0.00 176.35 177.11 2pqf s SER 504 N -1.99 6.70 0.04 2.29 0.15 -1.26 -4.75 113.70 114.88 2pqf s SER 504 Ca 0.66 2.49 0.08 0.00 0.70 0.00 0.00 55.95 59.88 2pqf s SER 504 Cb -0.16 -2.59 0.38 0.00 -1.71 0.00 0.00 66.02 61.94 2pqf s SER 504 CO 0.19 -0.74 1.27 -1.54 1.20 0.00 0.00 173.24 173.62 2pqf n SER 505 N 3.87 0.08 -0.73 5.45 3.41 -1.26 -1.20 113.62 123.25 2pqf n SER 505 Ca 0.12 0.53 0.12 0.00 -0.26 0.00 0.00 58.87 59.39 2pqf n SER 505 Cb 0.40 -0.54 0.20 0.00 -0.26 0.00 0.00 64.21 64.01 2pqf n SER 505 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2pqf n SER 506 N -1.60 2.37 -4.82 4.04 2.88 -1.26 -4.73 113.62 110.50 2pqf n SER 506 Ca 0.01 -1.74 -0.34 0.00 -1.33 0.00 0.00 58.87 55.48 2pqf n SER 506 Cb 0.08 0.08 -0.07 0.00 -0.75 0.00 0.00 64.21 63.56 2pqf n SER 506 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2pqf s SER 507 N -2.11 6.94 0.28 -3.46 1.04 -0.34 -4.98 113.70 111.07 2pqf s SER 507 Ca 0.29 1.54 -0.03 0.00 0.48 0.00 0.00 55.95 58.23 2pqf s SER 507 Cb 0.20 -2.48 0.37 0.00 0.10 0.00 0.00 66.02 64.22 2pqf s SER 507 CO 0.36 -0.23 1.88 -0.08 0.98 0.00 0.00 173.24 176.15 2pqf h GLU 508 N 2.33 1.01 -0.09 4.02 4.81 -1.92 -2.10 114.58 122.64 2pqf h GLU 508 Ca -0.48 -0.14 0.01 0.00 -0.13 0.00 0.00 59.36 58.62 2pqf h GLU 508 Cb 1.18 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.36 2pqf h GLU 508 CO 0.63 0.78 0.01 1.49 -0.73 0.00 0.00 179.01 181.19 2pqf h GLU 509 N 1.00 0.04 -0.38 1.92 4.81 -1.93 -1.46 114.58 118.58 2pqf h GLU 509 Ca 0.25 -0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.55 2pqf h GLU 509 Cb 0.10 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.41 2pqf h GLU 509 CO -0.03 0.03 -0.03 -0.92 -0.73 0.00 0.00 179.01 177.33 2pqf h TYR 510 N 0.04 -0.07 -0.26 0.92 3.20 -1.76 -3.00 116.97 116.04 2pqf h TYR 510 Ca 0.04 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.90 2pqf h TYR 510 Cb 0.04 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 2pqf h TYR 510 CO -0.11 -0.10 0.01 1.96 -1.64 0.00 0.00 178.16 178.28 2pqf h GLN 511 N 0.07 0.38 -0.40 1.82 1.08 -0.89 0.24 115.11 117.42 2pqf h GLN 511 Ca 0.19 -0.07 -0.05 0.00 -1.45 0.00 0.00 58.65 57.27 2pqf h GLN 511 Cb 0.27 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.62 2pqf h GLN 511 CO -0.34 0.40 0.04 0.87 -0.95 0.00 0.00 178.83 178.86 2pqf h LYS 512 N 0.37 0.68 -0.14 1.46 1.57 -1.15 -0.34 116.57 119.03 2pqf h LYS 512 Ca 0.09 -0.20 -0.02 0.00 -1.87 0.00 0.00 60.65 58.64 2pqf h LYS 512 Cb 0.24 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 2pqf h LYS 512 CO 0.00 0.75 -0.01 0.28 -0.57 0.00 0.00 179.45 179.90 2pqf h VAL 513 N 0.52 1.27 -0.32 0.50 2.07 -1.20 -2.91 116.25 116.18 2pqf h VAL 513 Ca 0.12 -0.88 0.06 0.00 0.82 0.00 0.00 66.70 66.82 2pqf h VAL 513 Cb 0.41 1.57 -0.05 0.00 -1.52 0.00 0.00 31.29 31.71 2pqf h VAL 513 CO 0.01 0.26 0.00 -0.25 0.02 0.00 0.00 177.57 177.61 2pqf h TRP 514 N -0.03 -0.01 -0.73 1.57 7.01 -0.51 -2.28 115.95 120.97 2pqf h TRP 514 Ca 0.04 0.02 0.05 0.00 2.11 0.00 0.00 58.89 61.11 2pqf h TRP 514 Cb 0.40 0.05 -0.05 0.00 -2.10 0.00 0.00 29.16 27.46 2pqf h TRP 514 CO 0.04 -0.05 0.43 -0.91 -2.79 0.00 0.00 178.44 175.16 2pqf h ASN 515 N 0.10 0.68 -0.20 2.65 -0.26 -1.06 0.25 115.58 117.74 2pqf h ASN 515 Ca 0.15 0.02 -0.01 0.00 -0.56 0.00 0.00 56.30 55.90 2pqf h ASN 515 Cb 0.21 -0.12 -0.01 0.00 -1.06 0.00 0.00 38.32 37.34 2pqf h ASN 515 CO -0.26 0.44 0.09 -0.07 -1.06 0.00 0.00 177.43 176.58 2pqf h LEU 516 N 0.81 0.27 -0.02 1.61 3.38 -1.26 -2.12 115.31 117.99 2pqf h LEU 516 Ca 0.31 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 58.17 2pqf h LEU 516 Cb 0.13 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2pqf h LEU 516 CO -0.16 0.33 -0.10 0.15 0.09 0.00 0.00 178.44 178.75 2pqf h PHE 517 N 0.19 -0.25 -0.12 1.13 3.57 -0.87 -3.12 116.94 117.47 2pqf h PHE 517 Ca 0.07 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.59 2pqf h PHE 517 Cb 0.14 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 2pqf h PHE 517 CO -0.02 -0.15 0.08 -0.97 -2.23 0.00 0.00 178.31 175.02 2pqf h ASN 518 N -0.16 0.08 -0.88 0.41 -1.24 -0.46 -0.62 115.58 112.70 2pqf h ASN 518 Ca 0.04 -0.00 0.18 0.00 0.71 0.00 0.00 56.30 57.23 2pqf h ASN 518 Cb 0.22 -0.02 -0.11 0.00 0.73 0.00 0.00 38.32 39.14 2pqf h ASN 518 CO -0.11 0.06 0.45 0.03 -1.29 0.00 0.00 177.43 176.56 2pqf h ARG 519 N 0.09 0.55 0.00 6.67 3.08 -1.31 -2.82 114.38 120.64 2pqf h ARG 519 Ca 0.05 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2pqf h ARG 519 Cb 0.09 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.02 2pqf h ARG 519 CO -0.01 0.36 -0.25 0.25 -1.07 0.00 0.00 179.97 179.25 2pqf n THR 520 N -4.91 0.00 -3.17 2.04 -2.24 -1.10 -4.78 114.28 100.12 2pqf n THR 520 Ca 0.20 -0.39 -0.26 0.00 -2.27 0.00 0.00 64.05 61.33 2pqf n THR 520 Cb 0.53 0.94 -0.06 0.00 -2.10 0.00 0.00 70.33 69.64 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 -1.13 3.62 0.18 3.22 4.77 -0.26 -4.40 117.00 123.00 2pqf n LEU 521 Ca 0.00 -5.47 0.14 0.00 -0.03 0.00 0.00 56.01 50.65 2pqf n LEU 521 Cb 0.05 -0.42 0.56 0.00 -2.33 0.00 0.00 43.42 41.29 2pqf n LEU 521 CO 0.07 2.22 0.91 1.55 -1.33 0.00 0.00 177.39 180.80 2pqf h PRO 522 N 3.52 0.00 -0.35 3.23 0.13 -1.74 -3.20 132.00 133.59 2pqf h PRO 522 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 2pqf h PRO 522 Cb 0.63 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.76 2pqf h PRO 522 CO 0.78 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.74 2pqf n PHE 523 N -2.54 0.78 -4.25 1.56 3.72 -1.26 -4.96 117.46 110.52 2pqf n PHE 523 Ca 0.02 -0.66 -0.30 0.00 -0.05 0.00 0.00 57.45 56.45 2pqf n PHE 523 Cb 0.26 -0.17 -0.09 0.00 -0.94 0.00 0.00 39.48 38.53 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 -1.84 2.84 -0.24 1.38 2.02 -1.21 -4.88 117.35 115.43 2pqf s TYR 524 Ca 0.34 -0.10 -0.14 0.00 -0.37 0.00 0.00 57.07 56.80 2pqf s TYR 524 Cb 0.23 -1.50 -0.04 0.00 -0.40 0.00 0.00 41.96 40.26 2pqf s TYR 524 CO 0.14 0.43 0.33 0.12 -1.57 0.00 0.00 175.55 175.00 2pqf s PHE 525 N -1.20 3.30 -0.30 2.71 5.36 -0.42 -4.93 117.98 122.51 2pqf s PHE 525 Ca 0.22 0.43 -0.26 0.00 -0.96 0.00 0.00 56.93 56.36 2pqf s PHE 525 Cb -0.11 -2.49 0.01 0.00 -0.34 0.00 0.00 43.02 40.09 2pqf s PHE 525 CO 0.14 -0.09 0.91 0.08 -1.46 0.00 0.00 175.22 174.80 2pqf s VAL 526 N 1.58 4.69 -0.18 3.12 1.01 -1.26 -0.36 120.40 129.00 2pqf s VAL 526 Ca 0.15 1.49 0.18 0.00 0.00 0.00 0.00 61.98 63.80 2pqf s VAL 526 Cb -0.15 -4.25 -0.01 0.00 0.00 0.00 0.00 36.38 31.97 2pqf s VAL 526 CO 0.08 -0.30 1.10 1.56 0.00 0.00 0.00 175.10 177.54 2pqf h GLN 527 N 8.00 0.00 -1.51 2.72 4.20 -1.30 -3.48 115.11 123.74 2pqf h GLN 527 Ca -0.22 0.00 0.10 0.00 0.06 0.00 0.00 58.65 58.59 2pqf h GLN 527 Cb 1.08 0.00 -0.27 0.00 0.30 0.00 0.00 27.48 28.59 2pqf h GLN 527 CO 0.94 0.25 0.46 0.21 -0.67 0.00 0.00 178.83 180.02 2pqf s LYS 528 N -3.06 0.39 -0.16 1.46 2.20 -1.11 -5.01 119.74 114.44 2pqf s LYS 528 Ca 0.00 0.58 0.01 0.00 -0.36 0.00 0.00 55.97 56.19 2pqf s LYS 528 Cb 0.08 0.14 0.02 0.00 -1.51 0.00 0.00 37.83 36.56 2pqf s LYS 528 CO 0.78 -0.06 -0.16 0.42 -0.36 0.00 0.00 175.35 175.96 2pqf s ILE 529 N 0.81 1.75 -0.14 5.43 1.01 -1.26 -1.66 121.20 127.13 2pqf s ILE 529 Ca -0.03 -0.77 -0.05 0.00 0.00 0.00 0.00 60.65 59.80 2pqf s ILE 529 Cb -0.04 -1.63 -0.03 0.00 0.01 0.00 0.00 42.46 40.76 2pqf s ILE 529 CO -0.11 0.46 0.02 -1.61 0.00 0.00 0.00 174.94 173.70 2pqf s GLU 530 N 1.41 3.57 -0.14 2.79 2.02 -0.01 -1.35 118.70 126.99 2pqf s GLU 530 Ca 0.04 -0.40 -0.25 0.00 0.02 0.00 0.00 54.97 54.38 2pqf s GLU 530 Cb -0.13 -3.00 -0.02 0.00 0.10 0.00 0.00 34.13 31.08 2pqf s GLU 530 CO -0.11 0.42 0.82 0.50 0.02 0.00 0.00 175.26 176.91 2pqf s ARG 531 N -0.08 4.34 -0.23 1.61 3.52 0.96 -0.96 118.95 128.11 2pqf s ARG 531 Ca 0.05 1.03 -0.18 0.00 -0.13 0.00 0.00 55.73 56.49 2pqf s ARG 531 Cb -0.13 -3.55 -0.03 0.00 -1.56 0.00 0.00 34.95 29.69 2pqf s ARG 531 CO 0.02 -0.25 0.53 0.08 -0.81 0.00 0.00 175.30 174.87 2pqf s VAL 532 N 1.85 5.07 -0.38 7.11 1.01 -0.31 -0.84 120.40 133.91 2pqf s VAL 532 Ca 0.39 0.94 -0.06 0.00 0.00 0.00 0.00 61.98 63.26 2pqf s VAL 532 Cb -0.17 -3.85 0.07 0.00 0.00 0.00 0.00 36.38 32.44 2pqf s VAL 532 CO 0.14 0.12 0.16 -1.10 0.00 0.00 0.00 175.10 174.43 2pqf s GLN 533 N 2.05 2.41 -0.27 2.72 -0.21 -0.11 -4.80 119.66 121.46 2pqf s GLN 533 Ca 0.23 -1.47 -0.01 0.00 0.02 0.00 0.00 55.36 54.13 2pqf s GLN 533 Cb -0.16 -3.55 0.08 0.00 1.00 0.00 0.00 33.01 30.39 2pqf s GLN 533 CO 0.09 -0.87 0.07 1.21 -2.12 0.00 0.00 175.29 173.67 2pqf s ASN 534 N 1.74 3.65 0.21 5.90 3.84 -1.26 -0.98 114.94 128.04 2pqf s ASN 534 Ca 0.02 -1.33 -0.10 0.00 0.21 0.00 0.00 52.86 51.66 2pqf s ASN 534 Cb -0.22 -0.79 0.15 0.00 -0.55 0.00 0.00 41.25 39.84 2pqf s ASN 534 CO -0.00 -0.37 1.86 0.25 -2.79 0.00 0.00 177.10 176.05 2pqf h LEU 535 N 8.13 0.90 -0.85 3.21 5.85 -1.97 -1.29 115.31 129.30 2pqf h LEU 535 Ca -0.15 -0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.46 2pqf h LEU 535 Cb 1.05 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.82 2pqf h LEU 535 CO 0.42 0.69 0.21 0.00 -0.34 0.00 0.00 178.44 179.42 2pqf h ALA 536 N 1.25 1.07 0.01 1.25 0.00 -1.96 0.64 119.26 121.51 2pqf h ALA 536 Ca 0.27 -0.22 -0.22 0.00 0.00 0.00 0.00 54.91 54.75 2pqf h ALA 536 Cb -0.05 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 2pqf h ALA 536 CO -0.05 0.63 -0.95 -0.07 0.00 0.00 0.00 179.25 178.81 2pqf h LEU 537 N 1.02 0.41 -0.21 0.00 3.38 -1.88 -3.03 115.31 115.01 2pqf h LEU 537 Ca 0.22 -0.34 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 2pqf h LEU 537 Cb 0.30 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2pqf h LEU 537 CO -0.01 1.16 -0.07 -0.25 0.09 0.00 0.00 178.44 179.36 2pqf h TRP 538 N 0.17 0.46 -0.59 1.13 2.91 -0.88 -2.43 115.95 116.72 2pqf h TRP 538 Ca -0.07 -0.10 0.06 0.00 1.13 0.00 0.00 58.89 59.91 2pqf h TRP 538 Cb 1.59 -0.11 -0.06 0.00 -0.51 0.00 0.00 29.16 30.07 2pqf h TRP 538 CO 0.05 0.67 0.29 0.93 -1.03 0.00 0.00 178.44 179.34 2pqf h GLU 539 N 0.12 0.52 -0.09 2.65 5.08 -0.94 0.34 114.58 122.25 2pqf h GLU 539 Ca 0.05 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.23 2pqf h GLU 539 Cb 0.53 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2pqf h GLU 539 CO 0.02 0.34 -0.59 -0.24 -1.00 0.00 0.00 179.01 177.54 2pqf h VAL 540 N 0.53 1.37 -0.18 3.13 3.04 -1.58 0.10 116.25 122.67 2pqf h VAL 540 Ca 0.27 -1.94 -0.02 0.00 -1.01 0.00 0.00 66.70 64.01 2pqf h VAL 540 Cb 0.22 1.96 -0.01 0.00 -2.01 0.00 0.00 31.29 31.45 2pqf h VAL 540 CO -0.21 0.58 0.05 0.22 -1.01 0.00 0.00 177.57 177.20 2pqf h TYR 541 N 0.22 0.29 -0.02 3.17 3.20 -1.17 0.27 116.97 122.94 2pqf h TYR 541 Ca -0.00 -0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.75 2pqf h TYR 541 Cb 1.10 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.28 2pqf h TYR 541 CO 0.03 0.40 -0.36 1.96 -1.64 0.00 0.00 178.16 178.55 2pqf h GLN 542 N 0.10 0.03 0.18 1.82 1.08 -0.78 -1.04 115.11 116.49 2pqf h GLN 542 Ca 0.06 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.24 2pqf h GLN 542 Cb 0.26 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.69 2pqf h GLN 542 CO -0.00 0.39 -0.08 2.35 -0.95 0.00 0.00 178.83 180.54 2pqf h TRP 543 N 0.03 -0.22 -0.74 2.96 7.01 -0.63 -1.80 115.95 122.56 2pqf h TRP 543 Ca 0.00 -0.01 0.13 0.00 2.11 0.00 0.00 58.89 61.13 2pqf h TRP 543 Cb 0.66 0.07 -0.09 0.00 -2.10 0.00 0.00 29.16 27.70 2pqf h TRP 543 CO 0.00 0.17 0.30 0.37 -2.79 0.00 0.00 178.44 176.50 2pqf h GLN 544 N -0.69 0.45 0.02 2.65 5.75 -0.88 0.73 115.11 123.14 2pqf h GLN 544 Ca -0.02 -0.03 0.03 0.00 -0.15 0.00 0.00 58.65 58.48 2pqf h GLN 544 Cb 0.49 -0.10 -0.05 0.00 1.07 0.00 0.00 27.48 28.89 2pqf h GLN 544 CO 0.04 0.30 -0.34 -0.22 -2.65 0.00 0.00 178.83 175.95 2pqf h LYS 545 N 0.46 -0.49 -0.53 1.69 3.64 -1.16 -2.53 116.57 117.65 2pqf h LYS 545 Ca 0.40 0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.91 2pqf h LYS 545 Cb 0.57 0.11 -0.08 0.00 -0.41 0.00 0.00 32.23 32.42 2pqf h LYS 545 CO -0.38 -0.33 0.03 0.78 -2.27 0.00 0.00 179.45 177.28 2pqf h GLY 546 N -0.51 0.57 -0.94 5.01 0.00 -0.51 -1.82 103.07 104.87 2pqf h GLY 546 Ca 0.05 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.43 2pqf h GLY 546 CO -0.26 -0.14 0.00 -1.06 0.00 0.00 0.00 176.54 175.08 2pqf n GLN 547 N -5.21 0.00 0.00 4.80 1.13 0.17 -1.33 117.38 116.94 2pqf n GLN 547 Ca 0.06 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.12 2pqf n GLN 547 Cb 0.29 -0.93 0.00 0.00 0.11 0.00 0.00 30.24 29.70 2pqf n GLN 547 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 2pqf n GLN 549 N 0.38 0.00 -0.17 -1.09 7.27 -0.68 -1.94 117.38 121.15 2pqf n GLN 549 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 57.00 56.98 2pqf n GLN 549 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 2pqf n GLN 549 CO 0.00 0.00 0.00 0.87 0.07 0.00 0.00 177.06 178.00 2pqf h LYS 550 N 0.00 0.76 0.00 3.69 1.57 -1.48 -2.95 116.57 118.17 2pqf h LYS 550 Ca 0.00 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 2pqf h LYS 550 Cb 0.00 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.21 2pqf h LYS 550 CO 0.00 0.75 0.00 1.04 -0.57 0.00 0.00 179.45 180.67 2pqf n GLN 551 N -4.48 0.09 -4.29 3.15 6.02 -0.82 -4.75 117.38 112.30 2pqf n GLN 551 Ca 0.01 0.29 -0.28 0.00 -0.01 0.00 0.00 57.00 57.01 2pqf n GLN 551 Cb 0.22 -1.65 -0.06 0.00 1.02 0.00 0.00 30.24 29.77 2pqf n GLN 551 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2pqf s ASN 552 N -3.55 4.35 0.42 1.08 2.47 -1.21 -4.99 114.94 113.53 2pqf s ASN 552 Ca 0.07 -1.32 0.31 0.00 0.42 0.00 0.00 52.86 52.34 2pqf s ASN 552 Cb 0.10 0.08 1.41 0.00 -1.45 0.00 0.00 41.25 41.40 2pqf s ASN 552 CO 0.35 -0.79 1.46 0.61 -3.72 0.00 0.00 177.10 175.01 2pqf n GLY 553 N -1.38 -0.80 0.00 1.21 0.00 -1.26 -4.69 105.19 98.27 2pqf n GLY 553 Ca -0.07 0.71 0.00 0.00 0.00 0.00 0.00 46.02 46.66 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 -1.51 2.45 3.75 -0.02 0.00 -1.12 -5.04 105.19 103.70 2pqf n GLY 554 Ca 0.38 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.02 2pqf n GLY 554 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pqf s LYS 555 N -0.21 3.09 0.38 1.61 -2.85 -1.26 -4.93 119.74 115.57 2pqf s LYS 555 Ca 0.00 2.25 -0.27 0.00 -1.00 0.00 0.00 55.97 56.95 2pqf s LYS 555 Cb 0.00 -2.23 -0.11 0.00 -2.06 0.00 0.00 37.83 33.42 2pqf s LYS 555 CO 0.00 -1.24 1.32 0.00 0.10 0.00 0.00 175.35 175.53 2pqf n ALA 556 N -1.09 1.48 -1.76 0.59 0.00 -1.26 -4.83 120.51 113.65 2pqf n ALA 556 Ca 0.11 0.32 -0.40 0.00 0.00 0.00 0.00 53.44 53.47 2pqf n ALA 556 Cb 0.45 -2.29 -0.04 0.00 0.00 0.00 0.00 19.45 17.57 2pqf n ALA 556 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2pqf s VAL 557 N -1.14 3.38 -0.26 0.00 0.11 -1.26 -4.92 120.40 116.31 2pqf s VAL 557 Ca 0.57 1.36 -0.31 0.00 -2.93 0.00 0.00 61.98 60.67 2pqf s VAL 557 Cb -0.53 -3.85 -0.08 0.00 -1.53 0.00 0.00 36.38 30.39 2pqf s VAL 557 CO 0.61 0.30 2.19 -0.67 -3.33 0.00 0.00 175.10 174.20 2pqf n ASP 558 N 1.02 2.83 -4.26 3.54 -0.08 -1.26 -4.88 116.55 113.46 2pqf n ASP 558 Ca -0.00 0.33 -0.32 0.00 -1.51 0.00 0.00 54.79 53.29 2pqf n ASP 558 Cb 0.45 -1.43 -0.16 0.00 2.34 0.00 0.00 41.12 42.31 2pqf n ASP 558 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 2pqf s GLU 559 N 6.16 3.05 0.06 -0.67 2.12 -1.26 -1.71 118.70 126.45 2pqf s GLU 559 Ca 1.04 -0.85 0.04 0.00 0.36 0.00 0.00 54.97 55.56 2pqf s GLU 559 Cb -0.57 -2.35 -0.03 0.00 0.26 0.00 0.00 34.13 31.45 2pqf s GLU 559 CO 0.42 0.21 -0.11 1.03 -0.54 0.00 0.00 175.26 176.28 2pqf s ARG 560 N 0.27 0.70 -0.35 4.30 0.52 0.96 -4.94 118.95 120.41 2pqf s ARG 560 Ca -0.15 -0.91 -0.15 0.00 -0.52 0.00 0.00 55.73 53.99 2pqf s ARG 560 Cb -0.17 -0.54 -0.01 0.00 0.52 0.00 0.00 34.95 34.75 2pqf s ARG 560 CO 0.08 0.11 0.37 -0.65 0.02 0.00 0.00 175.30 175.22 2pqf s GLN 561 N -1.90 3.49 0.03 3.54 -0.21 -1.26 0.38 119.66 123.74 2pqf s GLN 561 Ca -0.04 -0.47 0.02 0.00 0.02 0.00 0.00 55.36 54.89 2pqf s GLN 561 Cb -0.08 -3.83 -0.02 0.00 1.00 0.00 0.00 33.01 30.08 2pqf s GLN 561 CO 0.01 -0.57 -0.08 -0.51 -2.12 0.00 0.00 175.29 172.02 2pqf s LEU 562 N 2.03 2.18 0.25 2.90 1.43 -0.49 -4.93 118.68 122.04 2pqf s LEU 562 Ca 0.12 -0.41 -0.15 0.00 -1.03 0.00 0.00 54.13 52.66 2pqf s LEU 562 Cb -0.17 -0.24 -0.08 0.00 0.03 0.00 0.00 46.19 45.73 2pqf s LEU 562 CO 0.12 -0.10 0.67 -0.36 0.23 0.00 0.00 176.35 176.90 2pqf s PHE 563 N -0.96 3.50 -0.20 0.29 0.08 0.77 -0.39 117.98 121.06 2pqf s PHE 563 Ca -0.05 1.18 -0.04 0.00 0.12 0.00 0.00 56.93 58.13 2pqf s PHE 563 Cb -0.07 -2.48 0.09 0.00 -0.57 0.00 0.00 43.02 39.98 2pqf s PHE 563 CO 0.00 0.25 0.19 -1.58 -0.10 0.00 0.00 175.22 173.98 2pqf s HIS 564 N -1.74 -0.14 0.16 0.36 5.65 -0.42 -0.10 115.29 119.07 2pqf s HIS 564 Ca 0.47 0.03 -0.22 0.00 0.25 0.00 0.00 55.06 55.59 2pqf s HIS 564 Cb -0.13 -0.47 -0.08 0.00 -1.18 0.00 0.00 32.58 30.72 2pqf s HIS 564 CO 0.19 -0.60 0.71 0.20 -0.65 0.00 0.00 174.74 174.60 2pqf s GLY 565 N 2.27 2.77 0.28 1.59 0.00 -1.26 -1.00 107.32 111.98 2pqf s GLY 565 Ca 0.06 0.23 -0.13 0.00 0.00 0.00 0.00 44.72 44.88 2pqf s GLY 565 CO -0.13 0.67 0.56 -1.08 0.00 0.00 0.00 173.10 173.12 2pqf s THR 566 N -1.26 0.00 0.47 0.90 -1.32 -1.16 -4.32 115.64 108.95 2pqf s THR 566 Ca 0.37 -1.32 -0.21 0.00 -1.21 0.00 0.00 61.69 59.32 2pqf s THR 566 Cb -0.20 -2.32 -0.09 0.00 -1.51 0.00 0.00 72.50 68.38 2pqf s THR 566 CO 0.23 0.00 1.03 -0.44 -2.21 0.00 0.00 174.62 173.23 2pqf s SER 567 N -3.04 6.45 0.52 8.08 0.01 -1.26 -4.01 113.70 120.45 2pqf s SER 567 Ca 0.21 1.93 0.24 0.00 1.31 0.00 0.00 55.95 59.64 2pqf s SER 567 Cb -0.02 -2.56 1.34 0.00 0.21 0.00 0.00 66.02 64.99 2pqf s SER 567 CO 0.11 -0.70 1.99 0.00 0.41 0.00 0.00 173.24 175.05 2pqf h ALA 568 N 1.75 2.43 0.00 1.44 0.00 -1.89 -2.22 119.26 120.76 2pqf h ALA 568 Ca -0.49 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 2pqf h ALA 568 Cb 1.22 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 2pqf h ALA 568 CO 0.60 -0.58 -0.03 -0.84 0.00 0.00 0.00 179.25 178.39 2pqf h ILE 569 N 0.06 0.40 -0.01 0.00 3.07 -1.95 -2.52 117.51 116.57 2pqf h ILE 569 Ca 0.26 -0.16 0.00 0.00 1.55 0.00 0.00 64.86 66.50 2pqf h ILE 569 Cb 0.94 1.11 0.00 0.00 -0.27 0.00 0.00 36.82 38.61 2pqf h ILE 569 CO -0.02 0.03 -0.19 0.49 -1.05 0.00 0.00 178.15 177.42 2pqf n PHE 570 N -3.60 0.00 0.04 0.16 0.99 -0.84 -4.60 117.46 109.62 2pqf n PHE 570 Ca -0.03 0.00 -0.12 0.00 -0.00 0.00 0.00 57.45 57.30 2pqf n PHE 570 Cb 0.13 -0.10 -0.08 0.00 -1.00 0.00 0.00 39.48 38.43 2pqf n PHE 570 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 2pqf h VAL 571 N 1.37 1.07 -0.07 -4.37 2.07 -1.59 -1.47 116.25 113.25 2pqf h VAL 571 Ca 0.00 -0.27 -0.17 0.00 0.82 0.00 0.00 66.70 67.07 2pqf h VAL 571 Cb 0.49 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 2pqf h VAL 571 CO 0.00 0.07 -0.69 0.44 0.02 0.00 0.00 177.57 177.41 2pqf h ASP 572 N -0.15 0.40 -0.38 0.57 3.32 -1.81 -1.01 116.42 117.35 2pqf h ASP 572 Ca -0.00 -0.26 0.04 0.00 0.02 0.00 0.00 57.03 56.83 2pqf h ASP 572 Cb 0.14 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.53 2pqf h ASP 572 CO 0.01 0.97 0.15 0.00 -1.72 0.00 0.00 179.24 178.65 2pqf h ALA 573 N 1.02 0.46 -0.37 3.45 0.00 -1.81 -0.48 119.26 121.52 2pqf h ALA 573 Ca -0.02 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 2pqf h ALA 573 Cb 1.25 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 2pqf h ALA 573 CO 0.11 -0.24 -0.05 0.82 0.00 0.00 0.00 179.25 179.89 2pqf h ILE 574 N 0.31 1.27 -0.77 0.00 2.04 -1.12 0.32 117.51 119.56 2pqf h ILE 574 Ca 0.17 -1.10 0.15 0.00 1.00 0.00 0.00 64.86 65.08 2pqf h ILE 574 Cb 0.14 1.23 -0.05 0.00 -0.74 0.00 0.00 36.82 37.40 2pqf h ILE 574 CO -0.17 0.36 0.51 0.00 0.00 0.00 0.00 178.15 178.86 2pqf h GLN 576 N 0.46 0.33 0.00 0.00 4.15 -0.64 -3.43 115.11 115.98 2pqf h GLN 576 Ca 0.38 -0.57 0.00 0.00 0.77 0.00 0.00 58.65 59.22 2pqf h GLN 576 Cb 0.81 0.21 0.00 0.00 0.21 0.00 0.00 27.48 28.72 2pqf h GLN 576 CO -0.13 1.27 0.00 1.04 -1.93 0.00 0.00 178.83 179.09 2pqf n GLN 577 N -3.65 -0.37 -0.32 1.69 6.02 0.06 -4.94 117.38 115.86 2pqf n GLN 577 Ca -0.26 -0.55 0.04 0.00 -0.01 0.00 0.00 57.00 56.22 2pqf n GLN 577 Cb 1.03 -0.92 -0.01 0.00 1.02 0.00 0.00 30.24 31.35 2pqf n GLN 577 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2pqf n ASN 578 N -0.06 -1.93 -4.76 1.08 2.85 0.77 -4.91 115.26 108.30 2pqf n ASN 578 Ca 0.00 0.19 -0.37 0.00 -0.11 0.00 0.00 54.58 54.29 2pqf n ASN 578 Cb 0.07 -1.02 0.02 0.00 1.24 0.00 0.00 39.78 40.09 2pqf n ASN 578 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2pqf s PHE 579 N -1.91 2.55 -0.24 1.20 0.08 -1.26 -4.38 117.98 114.01 2pqf s PHE 579 Ca 0.00 1.47 -0.03 0.00 0.12 0.00 0.00 56.93 58.50 2pqf s PHE 579 Cb 0.00 -3.55 0.11 0.00 -0.57 0.00 0.00 43.02 39.01 2pqf s PHE 579 CO 0.00 -2.17 0.25 0.34 -0.10 0.00 0.00 175.22 173.54 2pqf s ASP 580 N -1.28 1.64 0.27 1.36 2.15 -1.26 -4.96 116.67 114.59 2pqf s ASP 580 Ca 0.70 -0.49 0.22 0.00 0.43 0.00 0.00 52.55 53.41 2pqf s ASP 580 Cb -0.33 0.39 1.01 0.00 -0.30 0.00 0.00 42.92 43.70 2pqf s ASP 580 CO 0.39 -0.36 1.68 -2.67 -0.17 0.00 0.00 175.17 174.03 2pqf n TRP 581 N 5.31 0.76 0.58 -5.34 4.27 -1.26 -2.15 117.44 119.60 2pqf n TRP 581 Ca -0.04 0.33 0.13 0.00 -3.89 0.00 0.00 57.50 54.02 2pqf n TRP 581 Cb 0.48 -1.02 0.45 0.00 -1.36 0.00 0.00 31.31 29.85 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 -2.22 0.21 0.19 -2.67 1.74 -1.26 -0.66 116.66 112.00 2pqf n ARG 582 Ca 0.01 0.27 -0.15 0.00 -0.77 0.00 0.00 57.85 57.21 2pqf n ARG 582 Cb 0.16 -1.79 -0.07 0.00 -1.02 0.00 0.00 32.46 29.74 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 0.00 0.42 -0.00 1.55 2.07 -1.88 -3.23 116.25 115.17 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 0.58 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 2pqf h VAL 583 CO 0.00 0.00 -0.69 0.00 0.02 0.00 0.00 177.57 176.90 2pqf n GLY 585 N 1.36 -1.91 3.30 0.00 0.00 0.16 -4.89 105.19 103.21 2pqf n GLY 585 Ca 0.05 -1.34 -0.32 0.00 0.00 0.00 0.00 46.02 44.41 2pqf n GLY 585 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2pqf s VAL 586 N -0.72 2.28 0.07 1.61 -7.23 -1.26 -4.86 120.40 110.28 2pqf s VAL 586 Ca 0.00 -0.98 0.00 0.00 -1.81 0.00 0.00 61.98 59.20 2pqf s VAL 586 Cb 0.00 -1.86 -0.04 0.00 0.56 0.00 0.00 36.38 35.05 2pqf s VAL 586 CO 0.00 0.57 -0.05 -1.00 -0.31 0.00 0.00 175.10 174.31 2pqf s HIS 587 N -0.11 0.68 0.00 2.82 3.76 -1.26 -5.08 115.29 116.10 2pqf s HIS 587 Ca -0.04 -0.97 0.00 0.00 -0.15 0.00 0.00 55.06 53.90 2pqf s HIS 587 Cb -0.14 -0.44 0.00 0.00 1.11 0.00 0.00 32.58 33.11 2pqf s HIS 587 CO 0.04 -0.26 0.00 0.41 -0.85 0.00 0.00 174.74 174.08 2pqf n GLY 588 N 0.13 0.47 3.72 -2.22 0.00 -1.26 -4.74 105.19 101.28 2pqf n GLY 588 Ca -0.14 -1.06 -0.41 0.00 0.00 0.00 0.00 46.02 44.41 2pqf n GLY 588 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2pqf s THR 589 N 0.00 4.88 0.05 2.61 -4.23 -1.26 -5.02 115.64 112.67 2pqf s THR 589 Ca 0.00 1.86 0.06 0.00 -1.18 0.00 0.00 61.69 62.42 2pqf s THR 589 Cb 0.00 -4.23 -0.02 0.00 1.34 0.00 0.00 72.50 69.59 2pqf s THR 589 CO 0.00 0.21 -0.16 -0.55 -0.54 0.00 0.00 174.62 173.58 2pqf s SER 590 N 0.79 1.90 -0.16 3.99 0.15 -1.26 -5.01 113.70 114.10 2pqf s SER 590 Ca 0.47 -0.52 0.17 0.00 0.70 0.00 0.00 55.95 56.77 2pqf s SER 590 Cb -0.20 -0.12 0.41 0.00 -1.71 0.00 0.00 66.02 64.40 2pqf s SER 590 CO 0.25 0.04 1.28 -1.22 1.20 0.00 0.00 173.24 174.79 2pqf n TYR 591 N 1.70 0.46 0.00 3.44 4.01 -1.26 -2.95 117.16 122.56 2pqf n TYR 591 Ca -0.19 -0.98 0.00 0.00 -0.16 0.00 0.00 57.90 56.58 2pqf n TYR 591 Cb 0.54 -0.24 0.00 0.00 -0.31 0.00 0.00 39.34 39.33 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 -1.01 4.27 3.58 2.72 0.00 -0.71 -2.25 105.19 111.79 2pqf n GLY 592 Ca 0.19 -1.49 -0.42 0.00 0.00 0.00 0.00 46.02 44.30 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 -3.42 3.86 0.08 1.61 1.02 -0.06 -4.88 119.74 117.95 2pqf s LYS 593 Ca 0.00 -1.77 -0.03 0.00 0.02 0.00 0.00 55.97 54.19 2pqf s LYS 593 Cb 0.00 -5.49 0.01 0.00 -0.52 0.00 0.00 37.83 31.83 2pqf s LYS 593 CO 0.00 -2.29 0.16 0.41 -0.92 0.00 0.00 175.35 172.71 2pqf n GLY 594 N 5.76 1.96 3.82 -3.33 0.00 -1.26 -4.82 105.19 107.32 2pqf n GLY 594 Ca 0.45 -1.12 -0.36 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.45 7.05 -0.00 1.61 0.01 -0.35 -4.80 113.70 115.77 2pqf s SER 595 Ca 0.04 1.40 0.03 0.00 1.31 0.00 0.00 55.95 58.73 2pqf s SER 595 Cb -0.01 -2.41 -0.03 0.00 0.21 0.00 0.00 66.02 63.78 2pqf s SER 595 CO 0.03 0.05 -0.08 -0.31 0.41 0.00 0.00 173.24 173.34 2pqf s TYR 596 N -1.50 2.86 -0.04 2.43 1.51 -1.26 -0.79 117.35 120.56 2pqf s TYR 596 Ca 0.42 -0.06 -0.05 0.00 -1.01 0.00 0.00 57.07 56.37 2pqf s TYR 596 Cb -0.17 -1.60 0.01 0.00 -0.11 0.00 0.00 41.96 40.09 2pqf s TYR 596 CO 0.21 0.35 0.14 -0.06 -1.11 0.00 0.00 175.55 175.08 2pqf s PHE 597 N -0.97 -0.09 -0.01 2.71 0.08 -0.43 -4.78 117.98 114.49 2pqf s PHE 597 Ca 0.16 0.22 0.04 0.00 0.12 0.00 0.00 56.93 57.47 2pqf s PHE 597 Cb -0.11 0.02 -0.03 0.00 -0.57 0.00 0.00 43.02 42.33 2pqf s PHE 597 CO 0.07 -0.13 -0.11 0.00 -0.10 0.00 0.00 175.22 174.94 2pqf s ALA 598 N -0.36 2.85 0.16 5.36 0.00 0.86 -1.33 121.76 129.30 2pqf s ALA 598 Ca -0.04 -1.02 -0.14 0.00 0.00 0.00 0.00 51.96 50.75 2pqf s ALA 598 Cb -0.03 -1.03 0.04 0.00 0.00 0.00 0.00 23.12 22.10 2pqf s ALA 598 CO 0.01 0.59 1.74 -0.09 0.00 0.00 0.00 175.76 178.00 2pqf h ARG 599 N 4.84 0.73 -5.24 0.00 2.43 -1.25 0.22 114.38 116.10 2pqf h ARG 599 Ca -0.48 -0.11 -0.60 0.00 -0.81 0.00 0.00 59.98 57.98 2pqf h ARG 599 Cb 1.16 -0.13 -0.13 0.00 -0.42 0.00 0.00 29.97 30.45 2pqf h ARG 599 CO 0.51 0.61 -0.50 -0.51 -1.51 0.00 0.00 179.97 178.57 2pqf s ASP 600 N -5.90 6.13 0.34 -3.80 1.01 -1.26 -4.66 116.67 108.53 2pqf s ASP 600 Ca -0.13 0.19 0.08 0.00 0.71 0.00 0.00 52.55 53.40 2pqf s ASP 600 Cb 0.12 -2.08 0.77 0.00 1.01 0.00 0.00 42.92 42.74 2pqf s ASP 600 CO 0.77 0.16 1.86 0.00 0.21 0.00 0.00 175.17 178.17 2pqf h ALA 601 N 6.81 1.78 -0.31 5.23 0.00 -1.86 -2.27 119.26 128.63 2pqf h ALA 601 Ca -0.40 0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.56 2pqf h ALA 601 Cb 1.15 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 2pqf h ALA 601 CO 0.74 -0.02 0.21 0.00 0.00 0.00 0.00 179.25 180.18 2pqf h ALA 602 N 1.59 1.95 -0.35 0.00 0.00 -1.89 -0.75 119.26 119.81 2pqf h ALA 602 Ca 0.45 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 55.18 2pqf h ALA 602 Cb 0.67 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 2pqf h ALA 602 CO -0.22 0.00 -0.44 -0.92 0.00 0.00 0.00 179.25 177.68 2pqf h TYR 603 N 0.28 1.12 0.00 0.00 3.20 -1.79 -3.23 116.97 116.54 2pqf h TYR 603 Ca 0.13 -0.36 -0.06 0.00 3.14 0.00 0.00 58.73 61.58 2pqf h TYR 603 Cb 0.18 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 2pqf h TYR 603 CO -0.00 1.19 -0.30 0.77 -1.64 0.00 0.00 178.16 178.18 2pqf h SER 604 N 0.73 0.00 -0.92 -2.11 0.02 -1.14 -3.28 113.55 106.86 2pqf h SER 604 Ca 0.04 0.00 0.18 0.00 -0.84 0.00 0.00 61.79 61.17 2pqf h SER 604 Cb 1.04 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 63.48 2pqf h SER 604 CO 0.10 0.30 0.50 -0.74 -1.14 0.00 0.00 176.83 175.85 2pqf h HIS 605 N 0.00 0.86 -0.48 3.45 -0.00 -1.37 -0.36 115.15 117.26 2pqf h HIS 605 Ca -0.00 0.04 0.11 0.00 -0.00 0.00 0.00 60.37 60.51 2pqf h HIS 605 Cb 0.72 -0.24 -0.02 0.00 -0.00 0.00 0.00 27.41 27.87 2pqf h HIS 605 CO 0.00 0.16 0.33 1.25 -0.00 0.00 0.00 177.93 179.67 2pqf h HIS 606 N 0.63 0.17 0.00 5.26 6.17 -1.74 -1.42 115.15 124.22 2pqf h HIS 606 Ca 0.53 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.61 2pqf h HIS 606 Cb 0.83 -0.05 0.00 0.00 2.52 0.00 0.00 27.41 30.70 2pqf h HIS 606 CO -0.07 0.08 -0.58 0.66 0.71 0.00 0.00 177.93 178.73 2pqf n TYR 607 N -4.44 0.04 -2.17 5.26 4.01 -0.19 -4.46 117.16 115.22 2pqf n TYR 607 Ca 0.08 0.01 -0.42 0.00 -0.16 0.00 0.00 57.90 57.42 2pqf n TYR 607 Cb 0.44 -0.26 -0.01 0.00 -0.31 0.00 0.00 39.34 39.21 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 -1.56 4.31 -4.72 7.72 7.64 -0.54 -2.99 113.62 123.49 2pqf n SER 608 Ca 0.05 -2.86 -0.42 0.00 1.01 0.00 0.00 58.87 56.65 2pqf n SER 608 Cb 0.35 -1.69 -0.03 0.00 -1.01 0.00 0.00 64.21 61.83 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 4.07 4.41 0.05 1.43 1.02 -1.26 -4.75 119.74 124.71 2pqf s LYS 609 Ca 0.53 1.90 -0.14 0.00 0.02 0.00 0.00 55.97 58.28 2pqf s LYS 609 Cb 0.08 -3.28 0.02 0.00 -0.52 0.00 0.00 37.83 34.13 2pqf s LYS 609 CO 0.03 -0.27 0.32 0.45 -0.92 0.00 0.00 175.35 174.96 2pqf s SER 610 N 0.81 -0.15 0.00 2.83 0.15 -1.26 -4.45 113.70 111.64 2pqf s SER 610 Ca 0.59 -0.18 0.24 0.00 0.70 0.00 0.00 55.95 57.29 2pqf s SER 610 Cb -0.33 0.37 0.24 0.00 -1.71 0.00 0.00 66.02 64.60 2pqf s SER 610 CO 0.32 -0.64 1.23 0.47 1.20 0.00 0.00 173.24 175.82 2pqf n ASP 611 N 0.51 0.67 -4.52 5.45 8.00 -1.26 -4.95 116.55 120.45 2pqf n ASP 611 Ca -0.18 -0.50 -0.26 0.00 0.71 0.00 0.00 54.79 54.55 2pqf n ASP 611 Cb 0.60 0.52 -0.03 0.00 -0.02 0.00 0.00 41.12 42.19 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 -1.51 0.00 1.69 -3.53 -2.24 -1.26 -5.04 114.28 102.39 2pqf n THR 612 Ca 0.05 -2.08 0.15 0.00 -2.27 0.00 0.00 64.05 59.90 2pqf n THR 612 Cb 0.34 0.15 0.77 0.00 -2.10 0.00 0.00 70.33 69.49 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 -1.45 0.95 -3.50 -0.78 6.02 -1.26 -4.84 117.38 112.53 2pqf n GLN 613 Ca -0.10 -0.21 -0.37 0.00 -0.01 0.00 0.00 57.00 56.31 2pqf n GLN 613 Cb 0.58 -1.50 -0.07 0.00 1.02 0.00 0.00 30.24 30.28 2pqf n GLN 613 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2pqf s THR 614 N -2.20 5.26 0.21 5.09 -4.23 -1.26 -1.95 115.64 116.57 2pqf s THR 614 Ca 0.39 0.65 0.04 0.00 -1.18 0.00 0.00 61.69 61.59 2pqf s THR 614 Cb 0.21 -3.67 -0.05 0.00 1.34 0.00 0.00 72.50 70.33 2pqf s THR 614 CO 0.40 0.40 -0.04 -1.00 -0.54 0.00 0.00 174.62 173.85 2pqf s HIS 615 N 0.29 1.51 0.30 3.99 3.76 0.11 -4.79 115.29 120.47 2pqf s HIS 615 Ca 0.19 -0.85 0.03 0.00 -0.15 0.00 0.00 55.06 54.28 2pqf s HIS 615 Cb -0.14 -0.84 -0.05 0.00 1.11 0.00 0.00 32.58 32.66 2pqf s HIS 615 CO 0.06 0.03 0.08 0.99 -0.85 0.00 0.00 174.74 175.06 2pqf s THR 616 N -3.35 0.84 0.04 1.30 2.01 -1.26 -1.28 115.64 113.95 2pqf s THR 616 Ca 0.25 -2.00 0.06 0.00 0.31 0.00 0.00 61.69 60.31 2pqf s THR 616 Cb 0.04 -2.69 -0.02 0.00 0.01 0.00 0.00 72.50 69.85 2pqf s THR 616 CO 0.07 0.00 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.46 2pqf s PHE 618 N -3.50 1.53 -0.39 4.92 0.08 -0.17 -3.33 117.98 117.12 2pqf s PHE 618 Ca 0.36 -0.35 -0.09 0.00 0.12 0.00 0.00 56.93 56.97 2pqf s PHE 618 Cb 0.08 -0.92 0.06 0.00 -0.57 0.00 0.00 43.02 41.67 2pqf s PHE 618 CO 0.15 0.06 0.20 -1.17 -0.10 0.00 0.00 175.22 174.36 2pqf s LEU 619 N -1.08 4.83 0.09 -0.37 2.96 -0.09 -1.30 118.68 123.72 2pqf s LEU 619 Ca 0.05 -1.32 -0.01 0.00 -0.22 0.00 0.00 54.13 52.64 2pqf s LEU 619 Cb -0.08 -1.96 -0.04 0.00 0.50 0.00 0.00 46.19 44.61 2pqf s LEU 619 CO 0.01 -0.45 0.26 0.00 -1.32 0.00 0.00 176.35 174.86 2pqf s ALA 620 N 1.43 3.95 -0.19 5.97 0.00 0.48 -1.50 121.76 131.89 2pqf s ALA 620 Ca 0.02 -0.80 -0.18 0.00 0.00 0.00 0.00 51.96 51.00 2pqf s ALA 620 Cb -0.21 -1.90 -0.03 0.00 0.00 0.00 0.00 23.12 20.98 2pqf s ALA 620 CO 0.03 0.75 0.49 0.50 0.00 0.00 0.00 175.76 177.53 2pqf s ARG 621 N -2.65 4.20 -0.03 0.00 3.52 -0.68 -1.40 118.95 121.92 2pqf s ARG 621 Ca 0.36 0.38 0.01 0.00 -0.13 0.00 0.00 55.73 56.35 2pqf s ARG 621 Cb -0.13 -3.55 0.02 0.00 -1.56 0.00 0.00 34.95 29.74 2pqf s ARG 621 CO 0.27 -0.11 -0.02 0.54 -0.81 0.00 0.00 175.30 175.17 2pqf s VAL 622 N 1.50 0.34 -1.00 7.11 0.11 0.16 -1.33 120.40 127.29 2pqf s VAL 622 Ca 0.23 -0.03 -0.22 0.00 -2.93 0.00 0.00 61.98 59.04 2pqf s VAL 622 Cb -0.15 -0.39 0.07 0.00 -1.53 0.00 0.00 36.38 34.38 2pqf s VAL 622 CO 0.09 0.17 1.36 -0.76 -3.33 0.00 0.00 175.10 172.64 2pqf s LEU 623 N 0.84 3.95 0.12 2.54 1.43 0.50 -0.03 118.68 128.02 2pqf s LEU 623 Ca -0.10 -1.64 0.05 0.00 -1.03 0.00 0.00 54.13 51.41 2pqf s LEU 623 Cb -0.13 -2.52 -0.20 0.00 0.03 0.00 0.00 46.19 43.37 2pqf s LEU 623 CO -0.01 -1.38 1.26 -0.37 0.23 0.00 0.00 176.35 176.09 2pqf h VAL 624 N 6.50 1.66 0.00 -1.59 -1.51 -1.62 -3.47 116.25 116.22 2pqf h VAL 624 Ca 0.19 -3.29 0.00 0.00 -1.23 0.00 0.00 66.70 62.37 2pqf h VAL 624 Cb 1.01 2.84 0.00 0.00 -2.13 0.00 0.00 31.29 33.01 2pqf h VAL 624 CO 1.34 0.94 0.00 0.61 -1.23 0.00 0.00 177.57 179.23 2pqf n GLY 625 N 1.34 3.13 3.71 5.19 0.00 -0.91 -3.43 105.19 114.23 2pqf n GLY 625 Ca -0.02 -0.24 -0.36 0.00 0.00 0.00 0.00 46.02 45.39 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 4.20 0.29 1.61 2.02 -1.26 -4.47 118.70 121.09 2pqf s GLU 626 Ca 0.00 -0.02 0.10 0.00 0.02 0.00 0.00 54.97 55.07 2pqf s GLU 626 Cb 0.00 -3.46 -0.05 0.00 0.10 0.00 0.00 34.13 30.73 2pqf s GLU 626 CO 0.00 0.19 -0.07 -0.59 0.02 0.00 0.00 175.26 174.81 2pqf s PHE 627 N 0.64 2.52 0.22 1.61 -0.12 -1.26 -0.46 117.98 121.13 2pqf s PHE 627 Ca 0.13 -0.30 0.00 0.00 -0.05 0.00 0.00 56.93 56.71 2pqf s PHE 627 Cb -0.13 -1.17 -0.05 0.00 -0.63 0.00 0.00 43.02 41.04 2pqf s PHE 627 CO 0.03 0.63 0.10 0.54 -0.05 0.00 0.00 175.22 176.47 2pqf s VAL 628 N -2.43 0.31 0.28 -2.49 0.11 -1.19 -4.98 120.40 110.01 2pqf s VAL 628 Ca 0.32 -1.99 -0.29 0.00 -2.93 0.00 0.00 61.98 57.08 2pqf s VAL 628 Cb -0.05 -2.48 -0.10 0.00 -1.53 0.00 0.00 36.38 32.23 2pqf s VAL 628 CO 0.18 -0.09 1.18 -0.60 -3.33 0.00 0.00 175.10 172.44 2pqf s ARG 629 N -4.07 4.53 0.74 1.54 3.52 -1.26 -0.76 118.95 123.18 2pqf s ARG 629 Ca 0.36 1.95 -0.02 0.00 -0.13 0.00 0.00 55.73 57.88 2pqf s ARG 629 Cb 0.07 -3.16 0.15 0.00 -1.56 0.00 0.00 34.95 30.46 2pqf s ARG 629 CO 0.11 0.04 1.02 0.41 -0.81 0.00 0.00 175.30 176.06 2pqf n GLY 630 N 1.22 0.37 3.56 8.12 0.00 -0.24 -4.75 105.19 113.48 2pqf n GLY 630 Ca 0.00 -1.99 -0.14 0.00 0.00 0.00 0.00 46.02 43.89 2pqf n GLY 630 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2pqf s ASN 631 N -5.07 -0.68 0.44 1.61 3.84 -0.95 -4.84 114.94 109.29 2pqf s ASN 631 Ca 0.66 1.24 0.21 0.00 0.21 0.00 0.00 52.86 55.18 2pqf s ASN 631 Cb -0.03 1.24 1.17 0.00 -0.55 0.00 0.00 41.25 43.08 2pqf s ASN 631 CO 0.44 -0.28 1.85 0.00 -2.79 0.00 0.00 177.10 176.31 2pqf h ALA 632 N 4.79 2.34 -0.00 1.71 0.00 -1.78 -1.43 119.26 124.90 2pqf h ALA 632 Ca -0.28 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2pqf h ALA 632 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2pqf h ALA 632 CO 0.13 -0.64 -0.03 -1.13 0.00 0.00 0.00 179.25 177.57 2pqf n SER 633 N -4.48 0.09 -4.71 0.00 3.41 -1.26 -4.36 113.62 102.31 2pqf n SER 633 Ca 0.20 -0.11 -0.42 0.00 -0.26 0.00 0.00 58.87 58.29 2pqf n SER 633 Cb 0.78 -0.27 -0.03 0.00 -0.26 0.00 0.00 64.21 64.43 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 -2.64 3.33 -1.65 7.33 0.08 -0.62 -4.89 117.98 118.92 2pqf s PHE 634 Ca 0.26 1.12 0.16 0.00 0.12 0.00 0.00 56.93 58.59 2pqf s PHE 634 Cb 0.20 -3.55 0.04 0.00 -0.57 0.00 0.00 43.02 39.13 2pqf s PHE 634 CO 0.48 -1.84 0.90 1.55 -0.10 0.00 0.00 175.22 176.22 2pqf n VAL 635 N 3.96 0.00 -3.63 -0.44 3.14 -1.26 -0.88 118.33 119.21 2pqf n VAL 635 Ca 0.10 -0.38 -0.05 0.00 -2.96 0.00 0.00 64.34 61.05 2pqf n VAL 635 Cb 0.44 1.24 -0.02 0.00 -1.06 0.00 0.00 33.84 34.44 2pqf n VAL 635 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2pqf s ARG 636 N -1.75 0.86 0.50 1.45 1.70 -1.26 -4.91 118.95 115.53 2pqf s ARG 636 Ca 0.15 -0.41 -0.21 0.00 -0.47 0.00 0.00 55.73 54.79 2pqf s ARG 636 Cb 0.13 0.33 -0.07 0.00 -0.57 0.00 0.00 34.95 34.78 2pqf s ARG 636 CO 0.35 -0.39 1.14 -2.14 -1.08 0.00 0.00 175.30 173.18 2pqf s PRO 637 N -3.02 3.59 0.97 3.89 0.02 -1.26 -5.01 135.00 134.18 2pqf s PRO 637 Ca 0.10 1.68 -0.12 0.00 0.02 0.00 0.00 61.00 62.68 2pqf s PRO 637 Cb -0.00 -2.22 0.17 0.00 0.02 0.00 0.00 34.50 32.47 2pqf s PRO 637 CO -0.03 -0.67 1.09 -1.25 -0.33 0.00 0.00 177.00 175.81 2pqf s PRO 638 N -2.97 0.66 0.34 5.54 0.04 -1.26 -4.59 135.00 132.76 2pqf s PRO 638 Ca 0.68 0.58 -0.28 0.00 0.04 0.00 0.00 61.00 62.02 2pqf s PRO 638 Cb -0.26 -1.76 -0.09 0.00 0.04 0.00 0.00 34.50 32.43 2pqf s PRO 638 CO 0.31 -2.59 1.17 0.00 0.04 0.00 0.00 177.00 175.93 2pqf s ALA 639 N -2.97 3.33 0.35 8.56 0.00 -1.26 -1.91 121.76 127.86 2pqf s ALA 639 Ca 0.65 1.00 -0.26 0.00 0.00 0.00 0.00 51.96 53.35 2pqf s ALA 639 Cb -0.18 -3.38 -0.09 0.00 0.00 0.00 0.00 23.12 19.47 2pqf s ALA 639 CO 0.57 -0.40 1.03 0.15 0.00 0.00 0.00 175.76 177.12 2pqf s LYS 640 N -1.85 4.40 0.62 0.00 1.02 -0.46 -4.80 119.74 118.67 2pqf s LYS 640 Ca 0.50 1.53 -0.15 0.00 0.02 0.00 0.00 55.97 57.88 2pqf s LYS 640 Cb -0.33 -2.78 -0.02 0.00 -0.52 0.00 0.00 37.83 34.17 2pqf s LYS 640 CO 0.43 0.07 1.06 -1.21 -0.92 0.00 0.00 175.35 174.77 2pqf s GLU 641 N -2.09 3.21 0.00 1.68 0.41 -1.26 -4.72 118.70 115.92 2pqf s GLU 641 Ca 0.52 1.16 0.00 0.00 -0.41 0.00 0.00 54.97 56.24 2pqf s GLU 641 Cb -0.24 -2.02 0.00 0.00 -1.78 0.00 0.00 34.13 30.09 2pqf s GLU 641 CO 0.30 -0.90 0.00 0.41 -0.49 0.00 0.00 175.26 174.58 2pqf n GLY 642 N -1.18 0.14 0.02 -1.39 0.00 -1.26 -4.83 105.19 96.68 2pqf n GLY 642 Ca 0.09 -2.25 0.11 0.00 0.00 0.00 0.00 46.02 43.97 2pqf n GLY 642 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2pqf n TRP 643 N 0.00 0.12 -0.67 1.61 4.27 -1.26 -4.93 117.44 116.58 2pqf n TRP 643 Ca 0.00 0.04 -0.32 0.00 -3.89 0.00 0.00 57.50 53.33 2pqf n TRP 643 Cb 0.00 -0.35 0.17 0.00 -1.36 0.00 0.00 31.31 29.77 2pqf n TRP 643 CO 0.00 0.00 0.00 -1.13 -2.29 0.00 0.00 177.69 174.27 2pqf n SER 644 N -1.96 -2.16 -2.24 -0.67 3.41 -1.26 -4.92 113.62 103.82 2pqf n SER 644 Ca 0.00 -0.02 -0.28 0.00 -0.26 0.00 0.00 58.87 58.32 2pqf n SER 644 Cb 0.46 -1.06 0.13 0.00 -0.26 0.00 0.00 64.21 63.47 2pqf n SER 644 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2pqf n ASN 645 N -2.10 5.51 -4.49 4.04 0.23 -1.26 -5.03 115.26 112.16 2pqf n ASN 645 Ca 0.03 -3.64 -0.31 0.00 -0.53 0.00 0.00 54.58 50.13 2pqf n ASN 645 Cb 0.59 -0.90 -0.12 0.00 -2.08 0.00 0.00 39.78 37.27 2pqf n ASN 645 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2pqf s ALA 646 N -3.41 2.69 0.29 -2.53 0.00 -1.26 -5.05 121.76 112.49 2pqf s ALA 646 Ca 0.58 -1.17 0.08 0.00 0.00 0.00 0.00 51.96 51.46 2pqf s ALA 646 Cb 0.48 -0.82 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 2pqf s ALA 646 CO 0.05 0.58 0.17 -0.06 0.00 0.00 0.00 175.76 176.51 2pqf s PHE 647 N -0.96 2.90 0.88 0.00 0.40 -1.26 -1.35 117.98 118.59 2pqf s PHE 647 Ca 0.16 -0.23 -0.11 0.00 -0.60 0.00 0.00 56.93 56.15 2pqf s PHE 647 Cb -0.11 -1.50 0.12 0.00 0.51 0.00 0.00 43.02 42.05 2pqf s PHE 647 CO 0.06 0.42 1.11 0.71 0.70 0.00 0.00 175.22 178.23 2pqf s TYR 648 N -2.27 2.02 -0.06 0.36 1.51 -0.80 -4.76 117.35 113.35 2pqf s TYR 648 Ca 0.35 1.60 0.21 0.00 -1.01 0.00 0.00 57.07 58.23 2pqf s TYR 648 Cb -0.06 -3.20 -0.32 0.00 -0.11 0.00 0.00 41.96 38.27 2pqf s TYR 648 CO 0.24 -2.49 0.41 -0.25 -1.11 0.00 0.00 175.55 172.35 2pqf n ASP 649 N -4.00 0.04 -3.34 2.29 8.00 0.39 -4.57 116.55 115.36 2pqf n ASP 649 Ca 0.10 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.51 2pqf n ASP 649 Cb 0.53 1.82 -0.00 0.00 -0.02 0.00 0.00 41.12 43.45 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 -4.66 -0.00 0.14 -2.24 1.04 -1.20 -4.72 113.70 102.06 2pqf s SER 650 Ca -0.08 -0.99 0.10 0.00 0.48 0.00 0.00 55.95 55.45 2pqf s SER 650 Cb 0.13 0.77 -0.04 0.00 0.10 0.00 0.00 66.02 66.98 2pqf s SER 650 CO 0.89 -1.50 -0.23 0.00 0.98 0.00 0.00 173.24 173.38 2pqf s VAL 652 N -1.42 0.73 -0.23 0.00 -7.23 0.06 -0.60 120.40 111.70 2pqf s VAL 652 Ca 0.13 -2.00 0.19 0.00 -1.81 0.00 0.00 61.98 58.49 2pqf s VAL 652 Cb -0.09 -2.63 0.08 0.00 0.56 0.00 0.00 36.38 34.31 2pqf s VAL 652 CO 0.06 -0.05 1.29 -0.55 -0.31 0.00 0.00 175.10 175.54 2pqf h ASN 653 N 2.35 0.00 -3.62 4.85 -1.07 -1.83 -0.61 115.58 115.64 2pqf h ASN 653 Ca -0.39 0.00 -0.00 0.00 0.07 0.00 0.00 56.30 55.98 2pqf h ASN 653 Cb 1.24 0.00 -0.22 0.00 -2.07 0.00 0.00 38.32 37.27 2pqf h ASN 653 CO 0.63 0.30 0.20 -0.55 0.07 0.00 0.00 177.43 178.08 2pqf s SER 654 N -6.06 -0.70 -0.07 6.14 0.15 -1.26 -4.91 113.70 106.99 2pqf s SER 654 Ca 0.03 1.30 -0.05 0.00 0.70 0.00 0.00 55.95 57.93 2pqf s SER 654 Cb 0.07 1.31 -0.27 0.00 -1.71 0.00 0.00 66.02 65.42 2pqf s SER 654 CO 0.75 -0.22 0.56 0.58 1.20 0.00 0.00 173.24 176.11 2pqf h VAL 655 N 4.08 0.82 -0.03 4.45 2.07 -1.93 -2.91 116.25 122.80 2pqf h VAL 655 Ca -0.29 -2.50 -0.17 0.00 0.82 0.00 0.00 66.70 64.56 2pqf h VAL 655 Cb 1.17 2.60 -0.01 0.00 -1.52 0.00 0.00 31.29 33.53 2pqf h VAL 655 CO 0.08 0.83 -0.75 0.77 0.02 0.00 0.00 177.57 178.52 2pqf h SER 656 N 0.07 0.23 -2.04 0.57 4.64 -2.01 -3.37 113.55 111.63 2pqf h SER 656 Ca -0.36 -0.16 -0.55 0.00 -0.47 0.00 0.00 61.79 60.26 2pqf h SER 656 Cb 2.05 -0.07 -0.40 0.00 -0.31 0.00 0.00 62.40 63.67 2pqf h SER 656 CO 0.12 0.89 -1.04 -0.67 -0.87 0.00 0.00 176.83 175.27 2pqf n ASP 657 N -3.75 1.02 -4.70 4.97 2.03 -1.26 -5.11 116.55 109.75 2pqf n ASP 657 Ca -0.03 -2.91 -0.42 0.00 0.52 0.00 0.00 54.79 51.95 2pqf n ASP 657 Cb 0.72 -0.64 -0.03 0.00 -0.72 0.00 0.00 41.12 40.45 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 -1.74 4.35 0.00 -0.67 0.04 -1.10 -4.62 135.00 131.27 2pqf s PRO 658 Ca 0.37 1.88 0.00 0.00 0.04 0.00 0.00 61.00 63.30 2pqf s PRO 658 Cb 0.21 -3.41 0.00 0.00 0.04 0.00 0.00 34.50 31.34 2pqf s PRO 658 CO -0.09 -0.41 0.00 -1.13 0.04 0.00 0.00 177.00 175.41 2pqf n SER 659 N 4.50 0.98 -4.05 6.66 3.41 -1.26 -4.85 113.62 119.00 2pqf n SER 659 Ca 0.11 -0.34 -0.26 0.00 -0.26 0.00 0.00 58.87 58.12 2pqf n SER 659 Cb 0.45 0.88 -0.17 0.00 -0.26 0.00 0.00 64.21 65.11 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 -1.08 1.27 -0.02 -1.33 1.01 -1.26 -0.75 121.20 119.04 2pqf s ILE 660 Ca 0.00 -0.56 0.06 0.00 0.00 0.00 0.00 60.65 60.15 2pqf s ILE 660 Cb 0.00 -1.15 -0.01 0.00 0.01 0.00 0.00 42.46 41.31 2pqf s ILE 660 CO 0.00 0.39 -0.20 -0.36 0.00 0.00 0.00 174.94 174.77 2pqf s PHE 661 N 0.60 1.82 -0.16 3.97 0.08 -0.44 -2.75 117.98 121.10 2pqf s PHE 661 Ca -0.15 -0.39 0.01 0.00 0.12 0.00 0.00 56.93 56.52 2pqf s PHE 661 Cb -0.16 -1.18 0.00 0.00 -0.57 0.00 0.00 43.02 41.11 2pqf s PHE 661 CO 0.04 -0.07 -0.17 0.08 -0.10 0.00 0.00 175.22 175.01 2pqf s VAL 662 N -0.36 2.52 -0.12 -0.44 1.01 0.23 -1.31 120.40 121.93 2pqf s VAL 662 Ca 0.05 -0.82 -0.00 0.00 0.00 0.00 0.00 61.98 61.21 2pqf s VAL 662 Cb -0.09 -2.06 -0.02 0.00 0.00 0.00 0.00 36.38 34.22 2pqf s VAL 662 CO 0.00 0.52 -0.12 -0.63 0.00 0.00 0.00 175.10 174.87 2pqf s ILE 663 N 0.89 3.12 -0.74 2.22 -1.09 0.03 -2.30 121.20 123.32 2pqf s ILE 663 Ca -0.04 -0.64 0.14 0.00 -2.23 0.00 0.00 60.65 57.87 2pqf s ILE 663 Cb -0.15 -2.30 -0.14 0.00 -1.58 0.00 0.00 42.46 38.29 2pqf s ILE 663 CO -0.02 0.53 0.62 0.49 -1.23 0.00 0.00 174.94 175.33 2pqf n PHE 664 N 3.40 0.00 -4.09 3.97 3.72 -1.26 -1.21 117.46 121.98 2pqf n PHE 664 Ca -0.18 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 56.90 2pqf n PHE 664 Cb 0.53 0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 38.91 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 -2.28 2.77 0.52 -1.08 2.56 -1.26 -5.01 118.70 114.92 2pqf s GLU 665 Ca 0.06 -0.81 0.30 0.00 0.00 0.00 0.00 54.97 54.52 2pqf s GLU 665 Cb 0.11 -2.49 1.40 0.00 2.00 0.00 0.00 34.13 35.15 2pqf s GLU 665 CO 0.56 -0.25 2.02 1.57 -0.56 0.00 0.00 175.26 178.60 2pqf h LYS 666 N 7.95 0.00 0.00 4.30 2.10 -1.92 -2.36 116.57 126.64 2pqf h LYS 666 Ca -0.42 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.23 2pqf h LYS 666 Cb 1.13 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.46 2pqf h LYS 666 CO 0.60 0.11 0.00 0.72 -2.00 0.00 0.00 179.45 178.88 2pqf n HIS 667 N -3.40 0.14 1.61 0.07 8.25 -1.26 -2.08 115.22 118.56 2pqf n HIS 667 Ca -0.01 0.05 0.07 0.00 -0.26 0.00 0.00 57.72 57.58 2pqf n HIS 667 Cb 0.28 -0.59 0.33 0.00 1.12 0.00 0.00 29.99 31.14 2pqf n HIS 667 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2pqf n GLN 668 N -1.63 1.33 -4.29 -0.41 6.02 -0.89 -4.19 117.38 113.33 2pqf n GLN 668 Ca 0.04 -0.50 -0.19 0.00 -0.01 0.00 0.00 57.00 56.34 2pqf n GLN 668 Cb 0.19 -1.26 -0.15 0.00 1.02 0.00 0.00 30.24 30.04 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 -1.87 0.63 -0.14 5.09 1.01 -0.88 -0.37 120.40 123.86 2pqf s VAL 669 Ca 0.23 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 61.94 2pqf s VAL 669 Cb 0.11 -0.56 0.01 0.00 0.00 0.00 0.00 36.38 35.94 2pqf s VAL 669 CO 0.18 0.20 -0.21 -0.47 0.00 0.00 0.00 175.10 174.80 2pqf s TYR 670 N 0.16 2.62 -1.18 5.22 5.04 -0.44 -4.90 117.35 123.86 2pqf s TYR 670 Ca -0.02 -1.36 -0.19 0.00 -2.44 0.00 0.00 57.07 53.07 2pqf s TYR 670 Cb -0.07 -1.79 -0.03 0.00 0.35 0.00 0.00 41.96 40.42 2pqf s TYR 670 CO 0.00 -0.63 1.99 -0.35 -1.34 0.00 0.00 175.55 175.22 2pqf n PRO 671 N 4.18 2.34 -0.08 4.97 -0.04 -1.26 -1.68 135.00 143.43 2pqf n PRO 671 Ca -0.20 -2.51 -0.15 0.00 -0.04 0.00 0.00 63.50 60.60 2pqf n PRO 671 Cb 0.51 -3.30 -0.04 0.00 -0.04 0.00 0.00 33.50 30.63 2pqf n PRO 671 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2pqf h GLU 672 N 7.48 0.88 -4.91 0.54 4.81 -1.87 -3.41 114.58 118.10 2pqf h GLU 672 Ca 0.45 -0.56 -0.50 0.00 -0.13 0.00 0.00 59.36 58.61 2pqf h GLU 672 Cb 0.75 0.07 -0.31 0.00 0.63 0.00 0.00 28.75 29.88 2pqf h GLU 672 CO 1.71 1.20 -0.81 0.71 -0.73 0.00 0.00 179.01 181.08 2pqf s TYR 673 N -4.12 1.35 -0.25 0.92 2.02 -0.57 -1.16 117.35 115.55 2pqf s TYR 673 Ca -0.11 -0.38 -0.10 0.00 -0.37 0.00 0.00 57.07 56.11 2pqf s TYR 673 Cb 0.10 -0.94 -0.04 0.00 -0.40 0.00 0.00 41.96 40.68 2pqf s TYR 673 CO 0.89 -0.15 0.14 0.08 -1.57 0.00 0.00 175.55 174.94 2pqf s VAL 674 N 0.18 5.01 -0.27 0.71 1.01 -0.14 -0.91 120.40 126.00 2pqf s VAL 674 Ca -0.05 0.06 -0.05 0.00 0.00 0.00 0.00 61.98 61.94 2pqf s VAL 674 Cb -0.11 -3.35 0.01 0.00 0.00 0.00 0.00 36.38 32.92 2pqf s VAL 674 CO 0.02 0.31 0.03 -0.63 0.00 0.00 0.00 175.10 174.83 2pqf s ILE 675 N 1.44 3.67 -0.25 2.22 1.01 -1.26 -0.83 121.20 127.19 2pqf s ILE 675 Ca 0.07 -0.67 -0.10 0.00 0.00 0.00 0.00 60.65 59.94 2pqf s ILE 675 Cb -0.15 -2.83 -0.05 0.00 0.01 0.00 0.00 42.46 39.44 2pqf s ILE 675 CO 0.07 0.19 0.16 -1.58 0.00 0.00 0.00 174.94 173.77 2pqf s GLN 676 N 1.47 4.02 0.18 2.79 0.74 -0.67 -4.28 119.66 123.90 2pqf s GLN 676 Ca 0.03 -0.30 0.02 0.00 0.05 0.00 0.00 55.36 55.16 2pqf s GLN 676 Cb -0.16 -3.54 -0.05 0.00 1.10 0.00 0.00 33.01 30.37 2pqf s GLN 676 CO 0.00 0.01 0.00 1.52 -0.55 0.00 0.00 175.29 176.27 2pqf s TYR 677 N 1.20 1.22 -0.04 1.67 -0.85 -0.40 -0.78 117.35 119.37 2pqf s TYR 677 Ca 0.07 -1.02 0.05 0.00 -0.52 0.00 0.00 57.07 55.65 2pqf s TYR 677 Cb -0.14 -0.69 -0.01 0.00 0.38 0.00 0.00 41.96 41.50 2pqf s TYR 677 CO 0.06 -0.21 -0.19 -0.08 -1.52 0.00 0.00 175.55 173.60 2pqf s THR 678 N -3.66 1.53 -2.01 -3.49 -1.32 0.52 0.10 115.64 107.30 2pqf s THR 678 Ca 0.24 -0.79 0.06 0.00 -1.21 0.00 0.00 61.69 59.99 2pqf s THR 678 Cb 0.06 -1.30 0.17 0.00 -1.51 0.00 0.00 72.50 69.92 2pqf s THR 678 CO 0.04 0.44 1.19 0.35 -2.21 0.00 0.00 174.62 174.43 2pqf n THR 679 N 2.97 0.12 0.88 5.08 -2.24 -0.82 -1.31 114.28 118.96 2pqf n THR 679 Ca -0.17 -0.12 0.11 0.00 -2.27 0.00 0.00 64.05 61.59 2pqf n THR 679 Cb 0.53 0.03 0.09 0.00 -2.10 0.00 0.00 70.33 68.88 2pqf n THR 679 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96