#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pqf n PRO 496 N 0.00 0.05 -0.73 -0.67 -0.04 -1.26 -4.89 135.00 127.46 2pqf n PRO 496 Ca 0.00 0.28 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 2pqf n PRO 496 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 2pqf n PRO 496 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2pqf n GLY 497 N -0.47 0.62 3.51 0.55 0.00 -1.26 -4.95 105.19 103.19 2pqf n GLY 497 Ca 0.03 -0.13 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.00 -0.52 0.19 1.61 -0.12 -1.26 -4.47 117.98 111.41 2pqf s PHE 498 Ca 0.00 0.70 0.07 0.00 -0.05 0.00 0.00 56.93 57.65 2pqf s PHE 498 Cb 0.00 0.47 -0.05 0.00 -0.63 0.00 0.00 43.02 42.81 2pqf s PHE 498 CO 0.00 -0.58 -0.13 -0.65 -0.05 0.00 0.00 175.22 173.81 2pqf s GLN 499 N -2.00 1.25 -0.15 1.99 1.11 -0.17 -4.91 119.66 116.78 2pqf s GLN 499 Ca -0.04 -1.55 0.00 0.00 0.01 0.00 0.00 55.36 53.79 2pqf s GLN 499 Cb -0.00 -0.96 0.03 0.00 -1.01 0.00 0.00 33.01 31.06 2pqf s GLN 499 CO 0.00 0.15 -0.12 0.15 0.01 0.00 0.00 175.29 175.48 2pqf s LYS 500 N -3.68 2.11 -0.26 2.91 1.02 -1.26 -0.99 119.74 119.59 2pqf s LYS 500 Ca 0.21 -0.55 -0.02 0.00 0.02 0.00 0.00 55.97 55.63 2pqf s LYS 500 Cb 0.00 -2.06 0.03 0.00 -0.52 0.00 0.00 37.83 35.28 2pqf s LYS 500 CO 0.05 -0.27 -0.04 0.42 -0.92 0.00 0.00 175.35 174.58 2pqf s ILE 501 N 1.52 2.94 0.13 2.17 -1.09 -0.77 -4.91 121.20 121.18 2pqf s ILE 501 Ca 0.04 -1.10 -0.31 0.00 -2.23 0.00 0.00 60.65 57.05 2pqf s ILE 501 Cb -0.13 -2.54 -0.08 0.00 -1.58 0.00 0.00 42.46 38.12 2pqf s ILE 501 CO -0.10 0.12 1.41 -0.89 -1.23 0.00 0.00 174.94 174.25 2pqf s THR 502 N 1.31 3.20 -0.05 2.92 2.01 -1.26 -1.02 115.64 122.75 2pqf s THR 502 Ca -0.01 0.87 -0.09 0.00 0.31 0.00 0.00 61.69 62.77 2pqf s THR 502 Cb -0.17 -3.56 -0.05 0.00 0.01 0.00 0.00 72.50 68.73 2pqf s THR 502 CO -0.03 0.07 0.25 -0.76 -0.69 0.00 0.00 174.62 173.46 2pqf s LEU 503 N 1.00 4.41 0.27 4.42 1.43 0.16 -4.96 118.68 125.41 2pqf s LEU 503 Ca 0.65 0.63 -0.31 0.00 -1.03 0.00 0.00 54.13 54.07 2pqf s LEU 503 Cb -0.38 -2.37 -0.11 0.00 0.03 0.00 0.00 46.19 43.36 2pqf s LEU 503 CO 0.31 0.35 1.63 -0.55 0.23 0.00 0.00 176.35 178.31 2pqf s SER 504 N -1.22 6.38 0.00 2.29 0.15 -1.26 -4.65 113.70 115.40 2pqf s SER 504 Ca 0.21 2.92 0.20 0.00 0.70 0.00 0.00 55.95 59.97 2pqf s SER 504 Cb -0.14 -2.62 0.93 0.00 -1.71 0.00 0.00 66.02 62.48 2pqf s SER 504 CO 0.10 -0.93 1.63 -1.54 1.20 0.00 0.00 173.24 173.70 2pqf n SER 505 N 2.72 0.00 -0.21 5.45 3.41 -1.26 -1.94 113.62 121.80 2pqf n SER 505 Ca 0.10 0.25 0.12 0.00 -0.26 0.00 0.00 58.87 59.08 2pqf n SER 505 Cb 0.37 -0.39 0.22 0.00 -0.26 0.00 0.00 64.21 64.15 2pqf n SER 505 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2pqf n SER 506 N -1.39 1.09 -4.78 4.04 3.41 -1.26 -4.73 113.62 109.99 2pqf n SER 506 Ca 0.07 -0.87 -0.37 0.00 -0.26 0.00 0.00 58.87 57.45 2pqf n SER 506 Cb 0.19 0.32 -0.06 0.00 -0.26 0.00 0.00 64.21 64.40 2pqf n SER 506 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2pqf s SER 507 N -2.67 7.26 0.36 4.04 1.04 -0.82 -4.97 113.70 117.94 2pqf s SER 507 Ca 0.18 1.85 0.09 0.00 0.48 0.00 0.00 55.95 58.55 2pqf s SER 507 Cb 0.18 -2.58 0.67 0.00 0.10 0.00 0.00 66.02 64.40 2pqf s SER 507 CO 0.61 -0.12 1.84 1.05 0.98 0.00 0.00 173.24 177.60 2pqf h GLU 508 N 3.03 0.22 -0.10 4.02 4.11 -1.91 -2.57 114.58 121.39 2pqf h GLU 508 Ca -0.47 -0.07 0.02 0.00 0.07 0.00 0.00 59.36 58.91 2pqf h GLU 508 Cb 1.19 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.40 2pqf h GLU 508 CO 0.64 0.45 -0.03 1.49 0.07 0.00 0.00 179.01 181.63 2pqf h GLU 509 N 0.20 -0.01 -0.30 1.06 4.81 -1.93 -1.29 114.58 117.12 2pqf h GLU 509 Ca 0.03 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.32 2pqf h GLU 509 Cb 0.53 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.86 2pqf h GLU 509 CO 0.04 -0.01 -0.05 -0.92 -0.73 0.00 0.00 179.01 177.34 2pqf h TYR 510 N -0.01 -0.11 -0.44 0.92 3.20 -1.74 -2.80 116.97 115.98 2pqf h TYR 510 Ca 0.05 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.92 2pqf h TYR 510 Cb 0.09 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.43 2pqf h TYR 510 CO -0.15 -0.11 0.18 1.96 -1.64 0.00 0.00 178.16 178.40 2pqf h GLN 511 N 0.03 0.63 -0.39 1.82 1.08 -1.16 0.67 115.11 117.78 2pqf h GLN 511 Ca 0.15 -0.08 -0.01 0.00 -1.45 0.00 0.00 58.65 57.25 2pqf h GLN 511 Cb 0.21 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.51 2pqf h GLN 511 CO -0.29 0.52 0.19 0.87 -0.95 0.00 0.00 178.83 179.17 2pqf h LYS 512 N 0.63 0.57 -0.08 1.46 1.57 -1.04 0.24 116.57 119.92 2pqf h LYS 512 Ca 0.15 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 2pqf h LYS 512 Cb 0.12 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.32 2pqf h LYS 512 CO -0.02 0.49 0.00 0.28 -0.57 0.00 0.00 179.45 179.64 2pqf h VAL 513 N 0.50 1.24 -0.48 0.50 2.07 -1.12 -2.90 116.25 116.06 2pqf h VAL 513 Ca 0.14 -0.76 0.04 0.00 0.82 0.00 0.00 66.70 66.93 2pqf h VAL 513 Cb 0.11 1.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.45 2pqf h VAL 513 CO -0.02 0.21 0.25 -0.25 0.02 0.00 0.00 177.57 177.78 2pqf h TRP 514 N -0.14 0.46 -0.76 1.57 7.01 -0.82 -2.30 115.95 120.96 2pqf h TRP 514 Ca 0.02 0.02 0.10 0.00 2.11 0.00 0.00 58.89 61.14 2pqf h TRP 514 Cb 0.33 -0.13 -0.07 0.00 -2.10 0.00 0.00 29.16 27.18 2pqf h TRP 514 CO 0.03 0.23 0.40 -0.91 -2.79 0.00 0.00 178.44 175.40 2pqf h ASN 515 N 0.49 0.54 -0.53 2.65 2.35 -0.49 0.47 115.58 121.05 2pqf h ASN 515 Ca 0.21 0.06 -0.07 0.00 -0.55 0.00 0.00 56.30 55.95 2pqf h ASN 515 Cb 0.11 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 2pqf h ASN 515 CO -0.14 0.30 0.06 -0.07 -1.65 0.00 0.00 177.43 175.93 2pqf h LEU 516 N 0.66 0.86 0.35 1.61 3.38 -1.22 -1.50 115.31 119.46 2pqf h LEU 516 Ca 0.38 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 2pqf h LEU 516 Cb 0.39 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2pqf h LEU 516 CO -0.27 0.92 -0.17 0.15 0.09 0.00 0.00 178.44 179.16 2pqf h PHE 517 N 0.77 -0.44 0.00 1.13 3.57 -1.14 -3.18 116.94 117.66 2pqf h PHE 517 Ca 0.16 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.63 2pqf h PHE 517 Cb 0.44 0.14 -0.00 0.00 2.79 0.00 0.00 35.95 39.32 2pqf h PHE 517 CO 0.03 -0.27 -0.07 -0.97 -2.23 0.00 0.00 178.31 174.80 2pqf h ASN 518 N -0.47 0.00 -0.94 0.41 -1.24 -0.88 -1.39 115.58 111.07 2pqf h ASN 518 Ca -0.05 0.00 0.28 0.00 0.71 0.00 0.00 56.30 57.25 2pqf h ASN 518 Cb 0.36 0.00 -0.16 0.00 0.73 0.00 0.00 38.32 39.26 2pqf h ASN 518 CO 0.08 0.07 0.30 0.03 -1.29 0.00 0.00 177.43 176.62 2pqf h ARG 519 N 0.00 0.15 0.00 6.67 3.08 -1.24 -2.93 114.38 120.11 2pqf h ARG 519 Ca -0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2pqf h ARG 519 Cb 0.14 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.15 2pqf h ARG 519 CO 0.01 0.10 0.00 0.25 -1.07 0.00 0.00 179.97 179.26 2pqf n THR 520 N -5.25 0.00 -3.06 2.04 -2.24 -0.92 -4.78 114.28 100.07 2pqf n THR 520 Ca 0.26 -0.39 -0.26 0.00 -2.27 0.00 0.00 64.05 61.39 2pqf n THR 520 Cb 0.84 1.10 -0.05 0.00 -2.10 0.00 0.00 70.33 70.13 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 -0.41 3.77 0.00 3.22 4.77 -0.57 -4.44 117.00 123.34 2pqf n LEU 521 Ca 0.00 -5.53 0.12 0.00 -0.03 0.00 0.00 56.01 50.56 2pqf n LEU 521 Cb 0.03 -0.37 0.57 0.00 -2.33 0.00 0.00 43.42 41.32 2pqf n LEU 521 CO 0.00 2.29 0.88 -0.81 -1.33 0.00 0.00 177.39 178.43 2pqf n PRO 522 N 0.05 0.27 -0.16 3.23 -0.04 -1.11 -2.94 135.00 134.30 2pqf n PRO 522 Ca 0.30 0.07 0.08 0.00 -0.04 0.00 0.00 63.50 63.90 2pqf n PRO 522 Cb 0.43 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.55 2pqf n PRO 522 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2pqf n PHE 523 N -1.33 0.42 -3.37 0.54 3.72 -1.26 -4.96 117.46 111.22 2pqf n PHE 523 Ca 0.10 -0.34 -0.20 0.00 -0.05 0.00 0.00 57.45 56.96 2pqf n PHE 523 Cb 0.20 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.73 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 -1.08 2.31 -0.23 1.38 2.02 -1.15 -4.90 117.35 115.70 2pqf s TYR 524 Ca 0.27 -0.57 -0.00 0.00 -0.37 0.00 0.00 57.07 56.40 2pqf s TYR 524 Cb 0.15 -2.19 0.06 0.00 -0.40 0.00 0.00 41.96 39.58 2pqf s TYR 524 CO 0.21 -0.46 -0.03 -0.06 -1.57 0.00 0.00 175.55 173.63 2pqf s PHE 525 N -2.53 2.09 0.02 2.71 0.08 -0.43 -4.98 117.98 114.95 2pqf s PHE 525 Ca 0.50 -1.56 -0.30 0.00 0.12 0.00 0.00 56.93 55.69 2pqf s PHE 525 Cb -0.05 -1.46 -0.06 0.00 -0.57 0.00 0.00 43.02 40.88 2pqf s PHE 525 CO 0.30 -0.74 1.40 0.08 -0.10 0.00 0.00 175.22 176.16 2pqf s VAL 526 N 1.50 3.65 -0.19 -0.44 1.01 -1.26 -0.47 120.40 124.20 2pqf s VAL 526 Ca -0.05 1.07 -0.06 0.00 0.00 0.00 0.00 61.98 62.95 2pqf s VAL 526 Cb -0.18 -3.69 -0.21 0.00 0.00 0.00 0.00 36.38 32.29 2pqf s VAL 526 CO -0.07 0.01 0.10 0.00 0.00 0.00 0.00 175.10 175.14 2pqf n GLN 527 N 5.11 0.69 -3.61 2.72 6.02 0.13 -4.94 117.38 123.51 2pqf n GLN 527 Ca 0.13 0.25 -0.15 0.00 -0.01 0.00 0.00 57.00 57.22 2pqf n GLN 527 Cb 0.43 -1.63 -0.07 0.00 1.02 0.00 0.00 30.24 30.00 2pqf n GLN 527 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 2pqf s LYS 528 N -2.52 0.94 -0.03 -1.09 2.20 -1.02 -5.02 119.74 113.19 2pqf s LYS 528 Ca -0.29 -0.03 -0.00 0.00 -0.36 0.00 0.00 55.97 55.29 2pqf s LYS 528 Cb 0.08 0.43 0.03 0.00 -1.51 0.00 0.00 37.83 36.86 2pqf s LYS 528 CO 0.67 -0.30 0.01 0.42 -0.36 0.00 0.00 175.35 175.79 2pqf s ILE 529 N -1.64 0.16 -0.10 5.43 1.01 -1.26 -1.74 121.20 123.06 2pqf s ILE 529 Ca -0.10 0.13 0.04 0.00 0.00 0.00 0.00 60.65 60.73 2pqf s ILE 529 Cb -0.02 -0.28 -0.00 0.00 0.01 0.00 0.00 42.46 42.17 2pqf s ILE 529 CO 0.05 0.16 -0.24 -1.61 0.00 0.00 0.00 174.94 173.30 2pqf s GLU 530 N 1.26 2.96 -0.10 2.79 2.02 -0.58 -0.66 118.70 126.39 2pqf s GLU 530 Ca -0.06 -0.87 -0.30 0.00 0.02 0.00 0.00 54.97 53.76 2pqf s GLU 530 Cb -0.13 -2.26 -0.02 0.00 0.10 0.00 0.00 34.13 31.82 2pqf s GLU 530 CO -0.02 0.19 1.14 0.50 0.02 0.00 0.00 175.26 177.09 2pqf s ARG 531 N 0.31 4.35 -0.07 1.61 3.52 -0.19 -1.17 118.95 127.30 2pqf s ARG 531 Ca -0.18 1.57 -0.28 0.00 -0.13 0.00 0.00 55.73 56.71 2pqf s ARG 531 Cb -0.18 -3.59 -0.02 0.00 -1.56 0.00 0.00 34.95 29.61 2pqf s ARG 531 CO 0.08 -0.46 0.92 0.08 -0.81 0.00 0.00 175.30 175.12 2pqf s VAL 532 N 2.40 4.87 -0.33 7.11 1.01 -0.25 -1.85 120.40 133.35 2pqf s VAL 532 Ca 0.53 1.89 0.04 0.00 0.00 0.00 0.00 61.98 64.43 2pqf s VAL 532 Cb -0.22 -4.24 0.10 0.00 0.00 0.00 0.00 36.38 32.01 2pqf s VAL 532 CO 0.19 0.10 0.04 -1.10 0.00 0.00 0.00 175.10 174.32 2pqf s GLN 533 N 1.50 1.54 -0.29 2.72 -0.21 -0.16 -4.84 119.66 119.92 2pqf s GLN 533 Ca 0.46 -1.81 -0.03 0.00 0.02 0.00 0.00 55.36 54.00 2pqf s GLN 533 Cb -0.19 -3.16 0.10 0.00 1.00 0.00 0.00 33.01 30.76 2pqf s GLN 533 CO 0.21 -0.90 0.11 1.21 -2.12 0.00 0.00 175.29 173.79 2pqf s ASN 534 N 0.93 3.66 0.22 5.90 3.84 -1.26 -1.00 114.94 127.23 2pqf s ASN 534 Ca 0.09 -1.38 -0.08 0.00 0.21 0.00 0.00 52.86 51.69 2pqf s ASN 534 Cb -0.19 -0.56 0.19 0.00 -0.55 0.00 0.00 41.25 40.13 2pqf s ASN 534 CO -0.08 -0.42 1.87 -0.07 -2.79 0.00 0.00 177.10 175.61 2pqf h LEU 535 N 8.27 1.01 -0.58 3.21 3.38 -1.97 -1.84 115.31 126.79 2pqf h LEU 535 Ca -0.17 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.66 2pqf h LEU 535 Cb 1.02 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 2pqf h LEU 535 CO 0.44 0.77 0.08 0.00 0.09 0.00 0.00 178.44 179.82 2pqf h ALA 536 N 1.28 0.77 -0.34 1.53 0.00 -1.96 -0.54 119.26 120.00 2pqf h ALA 536 Ca 0.30 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 2pqf h ALA 536 Cb -0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2pqf h ALA 536 CO -0.06 0.54 -0.30 -0.07 0.00 0.00 0.00 179.25 179.36 2pqf h LEU 537 N 0.87 0.75 -0.19 0.00 3.38 -1.88 -2.54 115.31 115.69 2pqf h LEU 537 Ca 0.17 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 2pqf h LEU 537 Cb 0.44 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2pqf h LEU 537 CO 0.01 1.00 0.10 -0.25 0.09 0.00 0.00 178.44 179.40 2pqf h TRP 538 N 0.62 0.26 -0.41 1.13 2.91 -1.14 -2.46 115.95 116.86 2pqf h TRP 538 Ca 0.07 -0.01 -0.00 0.00 1.13 0.00 0.00 58.89 60.08 2pqf h TRP 538 Cb 0.81 -0.08 -0.02 0.00 -0.51 0.00 0.00 29.16 29.36 2pqf h TRP 538 CO 0.04 0.25 0.25 0.93 -1.03 0.00 0.00 178.44 178.87 2pqf h GLU 539 N 0.20 0.56 -0.43 2.65 5.08 -1.09 0.11 114.58 121.66 2pqf h GLU 539 Ca 0.07 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.26 2pqf h GLU 539 Cb 0.07 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 2pqf h GLU 539 CO -0.01 0.42 -0.19 -0.24 -1.00 0.00 0.00 179.01 177.99 2pqf h VAL 540 N 0.54 1.27 -0.34 3.13 3.04 -1.52 -0.59 116.25 121.80 2pqf h VAL 540 Ca 0.15 -1.32 -0.01 0.00 -1.01 0.00 0.00 66.70 64.51 2pqf h VAL 540 Cb 0.01 1.14 -0.02 0.00 -2.01 0.00 0.00 31.29 30.41 2pqf h VAL 540 CO -0.03 0.45 0.15 0.22 -1.01 0.00 0.00 177.57 177.35 2pqf h TYR 541 N 0.75 0.49 -0.30 3.17 3.20 -1.19 -0.47 116.97 122.63 2pqf h TYR 541 Ca 0.11 -0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.86 2pqf h TYR 541 Cb 0.72 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.83 2pqf h TYR 541 CO 0.04 0.44 -0.18 1.96 -1.64 0.00 0.00 178.16 178.78 2pqf h GLN 542 N 0.40 0.55 -0.48 1.82 1.08 -0.66 -1.43 115.11 116.38 2pqf h GLN 542 Ca 0.11 -0.18 -0.07 0.00 -1.45 0.00 0.00 58.65 57.06 2pqf h GLN 542 Cb 0.14 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.51 2pqf h GLN 542 CO -0.01 0.70 0.04 2.35 -0.95 0.00 0.00 178.83 180.96 2pqf h TRP 543 N 0.49 0.89 -0.67 2.96 7.01 -0.96 -2.04 115.95 123.65 2pqf h TRP 543 Ca 0.08 -0.14 -0.02 0.00 2.11 0.00 0.00 58.89 60.92 2pqf h TRP 543 Cb 0.60 -0.24 -0.03 0.00 -2.10 0.00 0.00 29.16 27.39 2pqf h TRP 543 CO 0.02 0.84 0.35 0.37 -2.79 0.00 0.00 178.44 177.23 2pqf h GLN 544 N 0.69 0.95 -0.38 2.65 5.75 -0.77 -1.29 115.11 122.71 2pqf h GLN 544 Ca 0.14 -0.12 0.02 0.00 -0.15 0.00 0.00 58.65 58.54 2pqf h GLN 544 Cb 0.46 -0.18 -0.03 0.00 1.07 0.00 0.00 27.48 28.80 2pqf h GLN 544 CO 0.02 0.73 0.20 -0.22 -2.65 0.00 0.00 178.83 176.91 2pqf h LYS 545 N 0.92 0.40 -0.67 1.69 3.64 -1.21 -2.81 116.57 118.53 2pqf h LYS 545 Ca 0.23 -0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.69 2pqf h LYS 545 Cb 0.07 -0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 31.73 2pqf h LYS 545 CO -0.03 0.27 0.30 0.78 -2.27 0.00 0.00 179.45 178.49 2pqf h GLY 546 N 0.42 0.99 -1.69 5.01 0.00 -1.18 -0.72 103.07 105.91 2pqf h GLY 546 Ca 0.15 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.31 2pqf h GLY 546 CO -0.09 0.01 0.00 -1.06 0.00 0.00 0.00 176.54 175.40 2pqf n GLN 547 N -4.93 0.32 0.00 4.80 1.13 -0.50 -2.62 117.38 115.58 2pqf n GLN 547 Ca 0.10 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.16 2pqf n GLN 547 Cb 0.29 -1.28 0.00 0.00 0.11 0.00 0.00 30.24 29.35 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 0.68 0.00 0.22 -1.09 6.02 -0.28 -2.93 117.38 120.01 2pqf n GLN 549 Ca 0.00 0.00 0.09 0.00 -0.01 0.00 0.00 57.00 57.08 2pqf n GLN 549 Cb 0.14 0.00 0.49 0.00 1.02 0.00 0.00 30.24 31.89 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 -0.43 -1.09 1.57 -1.78 -3.14 116.57 111.70 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 0.25 0.00 1.04 -0.57 0.00 0.00 179.45 180.17 2pqf n GLN 551 N -3.58 3.10 0.00 3.15 6.02 -1.15 -4.69 117.38 120.23 2pqf n GLN 551 Ca -0.01 -2.50 0.12 0.00 -0.01 0.00 0.00 57.00 54.61 2pqf n GLN 551 Cb 0.39 -1.59 0.24 0.00 1.02 0.00 0.00 30.24 30.30 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 0.50 1.80 -2.40 1.08 5.15 -1.19 -4.95 115.26 115.26 2pqf n ASN 552 Ca 0.18 -1.41 -0.19 0.00 -0.60 0.00 0.00 54.58 52.57 2pqf n ASN 552 Cb 0.67 0.19 0.02 0.00 -0.53 0.00 0.00 39.78 40.13 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 1.33 -0.36 2.68 8.20 0.00 -1.26 -3.06 105.19 112.72 2pqf n GLY 553 Ca 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.26 1.24 3.80 -0.02 0.00 -1.26 -5.05 105.19 102.64 2pqf n GLY 554 Ca -0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 2pqf n GLY 554 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pqf s LYS 555 N -0.11 3.64 0.42 1.61 1.02 -1.17 -5.04 119.74 120.12 2pqf s LYS 555 Ca 0.00 1.26 -0.25 0.00 0.02 0.00 0.00 55.97 57.00 2pqf s LYS 555 Cb 0.00 -2.08 -0.08 0.00 -0.52 0.00 0.00 37.83 35.15 2pqf s LYS 555 CO 0.00 -0.55 1.29 0.00 -0.92 0.00 0.00 175.35 175.17 2pqf s ALA 556 N -2.22 3.18 -0.09 5.17 0.00 -1.26 -4.89 121.76 121.66 2pqf s ALA 556 Ca 0.65 1.20 -0.30 0.00 0.00 0.00 0.00 51.96 53.51 2pqf s ALA 556 Cb -0.15 -3.48 -0.03 0.00 0.00 0.00 0.00 23.12 19.46 2pqf s ALA 556 CO 0.27 -0.85 1.24 0.08 0.00 0.00 0.00 175.76 176.50 2pqf s VAL 557 N -1.30 4.23 -0.09 0.00 1.01 -1.26 -4.98 120.40 118.01 2pqf s VAL 557 Ca 0.59 1.54 -0.29 0.00 0.00 0.00 0.00 61.98 63.81 2pqf s VAL 557 Cb -0.37 -3.99 -0.05 0.00 0.00 0.00 0.00 36.38 31.97 2pqf s VAL 557 CO 0.47 -0.05 1.75 -0.62 0.00 0.00 0.00 175.10 176.65 2pqf s ASP 558 N 1.70 6.47 -0.07 3.32 -1.08 -1.26 -4.90 116.67 120.84 2pqf s ASP 558 Ca 0.56 2.15 -0.01 0.00 -0.52 0.00 0.00 52.55 54.73 2pqf s ASP 558 Cb -0.24 -2.53 0.03 0.00 -1.46 0.00 0.00 42.92 38.72 2pqf s ASP 558 CO 0.20 -1.11 -0.02 -0.70 0.52 0.00 0.00 175.17 174.06 2pqf s GLU 559 N 4.44 0.77 0.11 4.34 2.12 -1.26 -1.67 118.70 127.55 2pqf s GLU 559 Ca 0.78 0.02 0.06 0.00 0.36 0.00 0.00 54.97 56.19 2pqf s GLU 559 Cb -0.33 -1.03 -0.04 0.00 0.26 0.00 0.00 34.13 32.99 2pqf s GLU 559 CO 0.32 -0.26 -0.14 1.03 -0.54 0.00 0.00 175.26 175.67 2pqf s ARG 560 N 1.75 0.98 -0.46 4.30 0.52 -0.03 -4.96 118.95 121.05 2pqf s ARG 560 Ca 0.02 -1.16 -0.18 0.00 -0.52 0.00 0.00 55.73 53.89 2pqf s ARG 560 Cb -0.13 -0.91 0.04 0.00 0.52 0.00 0.00 34.95 34.48 2pqf s ARG 560 CO -0.05 0.18 0.52 -0.65 0.02 0.00 0.00 175.30 175.32 2pqf s GLN 561 N -2.40 3.11 0.24 3.54 -0.21 -1.26 -0.74 119.66 121.93 2pqf s GLN 561 Ca 0.06 -0.85 0.11 0.00 0.02 0.00 0.00 55.36 54.70 2pqf s GLN 561 Cb -0.06 -4.03 -0.05 0.00 1.00 0.00 0.00 33.01 29.87 2pqf s GLN 561 CO 0.03 -1.02 -0.16 -0.51 -2.12 0.00 0.00 175.29 171.51 2pqf s LEU 562 N 2.31 2.72 0.11 2.90 1.43 0.14 -4.92 118.68 123.36 2pqf s LEU 562 Ca 0.13 -0.84 -0.07 0.00 -1.03 0.00 0.00 54.13 52.32 2pqf s LEU 562 Cb -0.18 -1.32 -0.06 0.00 0.03 0.00 0.00 46.19 44.66 2pqf s LEU 562 CO 0.13 0.06 0.37 -0.36 0.23 0.00 0.00 176.35 176.78 2pqf s PHE 563 N -2.13 3.52 -0.22 0.29 0.08 0.82 -0.16 117.98 120.18 2pqf s PHE 563 Ca 0.27 0.63 -0.04 0.00 0.12 0.00 0.00 56.93 57.92 2pqf s PHE 563 Cb -0.07 -2.05 0.07 0.00 -0.57 0.00 0.00 43.02 40.41 2pqf s PHE 563 CO 0.15 0.48 0.09 -1.58 -0.10 0.00 0.00 175.22 174.25 2pqf s HIS 564 N -1.53 0.59 -0.00 0.36 5.65 -0.33 -1.17 115.29 118.85 2pqf s HIS 564 Ca 0.37 -0.74 -0.30 0.00 0.25 0.00 0.00 55.06 54.64 2pqf s HIS 564 Cb -0.13 -0.93 -0.04 0.00 -1.18 0.00 0.00 32.58 30.30 2pqf s HIS 564 CO 0.21 -0.66 1.17 0.20 -0.65 0.00 0.00 174.74 175.02 2pqf s GLY 565 N 2.00 2.34 0.21 1.59 0.00 -1.26 -1.36 107.32 110.85 2pqf s GLY 565 Ca 0.04 0.70 -0.09 0.00 0.00 0.00 0.00 44.72 45.37 2pqf s GLY 565 CO -0.18 2.07 0.34 -1.08 0.00 0.00 0.00 173.10 174.25 2pqf s THR 566 N 1.58 0.02 0.45 0.90 -1.32 -1.16 -4.34 115.64 111.77 2pqf s THR 566 Ca 0.56 -1.55 -0.16 0.00 -1.21 0.00 0.00 61.69 59.33 2pqf s THR 566 Cb -0.26 -2.18 -0.08 0.00 -1.51 0.00 0.00 72.50 68.46 2pqf s THR 566 CO 0.26 -0.08 0.91 -0.44 -2.21 0.00 0.00 174.62 173.06 2pqf s SER 567 N -3.04 6.70 0.54 8.08 0.01 -1.26 -4.19 113.70 120.54 2pqf s SER 567 Ca 0.25 1.49 0.24 0.00 1.31 0.00 0.00 55.95 59.24 2pqf s SER 567 Cb 0.02 -2.47 1.52 0.00 0.21 0.00 0.00 66.02 65.31 2pqf s SER 567 CO 0.07 -0.46 2.16 0.00 0.41 0.00 0.00 173.24 175.43 2pqf h ALA 568 N 1.36 1.61 -0.07 1.44 0.00 -1.90 -1.91 119.26 119.78 2pqf h ALA 568 Ca -0.47 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.41 2pqf h ALA 568 Cb 1.18 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 2pqf h ALA 568 CO 0.62 0.06 0.06 0.97 0.00 0.00 0.00 179.25 180.96 2pqf h ILE 569 N 0.00 0.82 -0.12 0.00 2.10 -1.95 -2.77 117.51 115.59 2pqf h ILE 569 Ca -0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 2pqf h ILE 569 Cb 0.11 0.96 0.00 0.00 -1.09 0.00 0.00 36.82 36.80 2pqf h ILE 569 CO 0.01 0.00 0.00 0.49 -1.08 0.00 0.00 178.15 177.57 2pqf n PHE 570 N -4.30 0.13 -0.04 2.19 3.72 -0.72 -4.59 117.46 113.86 2pqf n PHE 570 Ca -0.01 -0.06 -0.11 0.00 -0.05 0.00 0.00 57.45 57.21 2pqf n PHE 570 Cb 0.16 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.65 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 3.55 1.20 -0.07 -4.37 2.07 -1.62 -1.75 116.25 115.26 2pqf h VAL 571 Ca 0.00 -0.64 -0.16 0.00 0.82 0.00 0.00 66.70 66.72 2pqf h VAL 571 Cb 0.76 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 2pqf h VAL 571 CO 0.00 0.19 -0.66 0.44 0.02 0.00 0.00 177.57 177.56 2pqf h ASP 572 N 0.02 0.35 -0.65 0.57 5.19 -1.82 -1.98 116.42 118.11 2pqf h ASP 572 Ca 0.04 -0.21 0.03 0.00 -0.62 0.00 0.00 57.03 56.27 2pqf h ASP 572 Cb 0.27 -0.10 -0.04 0.00 0.18 0.00 0.00 39.33 39.63 2pqf h ASP 572 CO 0.00 0.91 0.40 0.00 -3.12 0.00 0.00 179.24 177.43 2pqf h ALA 573 N 1.09 0.85 -0.51 3.45 0.00 -1.81 -2.26 119.26 120.07 2pqf h ALA 573 Ca -0.01 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 2pqf h ALA 573 Cb 1.19 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 2pqf h ALA 573 CO 0.11 0.14 -0.09 0.82 0.00 0.00 0.00 179.25 180.22 2pqf h ILE 574 N 0.77 1.27 0.00 0.00 2.04 -1.03 -0.66 117.51 119.90 2pqf h ILE 574 Ca 0.27 -1.23 -0.05 0.00 1.00 0.00 0.00 64.86 64.85 2pqf h ILE 574 Cb 0.05 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 2pqf h ILE 574 CO -0.12 0.43 -0.23 0.00 0.00 0.00 0.00 178.15 178.23 2pqf n GLN 576 N -3.89 0.64 -0.00 0.00 7.27 -0.87 -4.71 117.38 115.83 2pqf n GLN 576 Ca -0.02 0.40 0.02 0.00 0.07 0.00 0.00 57.00 57.48 2pqf n GLN 576 Cb 0.32 -1.69 0.02 0.00 2.41 0.00 0.00 30.24 31.30 2pqf n GLN 576 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 2pqf n GLN 577 N -4.02 -0.38 -0.24 3.69 6.02 -0.26 -4.95 117.38 117.24 2pqf n GLN 577 Ca -0.36 -0.76 0.03 0.00 -0.01 0.00 0.00 57.00 55.89 2pqf n GLN 577 Cb 0.85 -1.08 -0.01 0.00 1.02 0.00 0.00 30.24 31.01 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 0.25 -1.41 -4.75 1.08 2.85 0.42 -4.85 115.26 108.85 2pqf n ASN 578 Ca 0.03 0.20 -0.42 0.00 -0.11 0.00 0.00 54.58 54.28 2pqf n ASN 578 Cb 0.11 -0.80 -0.00 0.00 1.24 0.00 0.00 39.78 40.32 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 -2.65 2.78 -3.64 1.20 3.72 -1.26 -4.50 117.46 113.09 2pqf n PHE 579 Ca -0.01 0.47 -0.24 0.00 -0.05 0.00 0.00 57.45 57.62 2pqf n PHE 579 Cb 0.11 -2.50 -0.17 0.00 -0.94 0.00 0.00 39.48 35.98 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 -0.16 1.96 0.01 4.37 2.15 -1.26 -4.92 116.67 118.82 2pqf s ASP 580 Ca 0.54 -0.38 0.21 0.00 0.43 0.00 0.00 52.55 53.36 2pqf s ASP 580 Cb -0.50 -0.24 0.91 0.00 -0.30 0.00 0.00 42.92 42.78 2pqf s ASP 580 CO 0.63 -0.31 1.68 -2.67 -0.17 0.00 0.00 175.17 174.33 2pqf n TRP 581 N 5.27 0.04 1.46 -5.34 4.27 -1.26 -3.31 117.44 118.57 2pqf n TRP 581 Ca -0.06 0.01 0.13 0.00 -3.89 0.00 0.00 57.50 53.70 2pqf n TRP 581 Cb 0.49 -0.52 0.51 0.00 -1.36 0.00 0.00 31.31 30.43 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 -1.54 1.66 0.41 -2.67 1.74 -1.26 -1.70 116.66 113.31 2pqf n ARG 582 Ca 0.05 -0.96 -0.18 0.00 -0.77 0.00 0.00 57.85 55.99 2pqf n ARG 582 Cb 0.25 -1.47 -0.09 0.00 -1.02 0.00 0.00 32.46 30.14 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 2.27 0.12 0.00 1.55 2.07 -2.01 -3.31 116.25 116.94 2pqf h VAL 583 Ca 0.00 -0.15 -0.23 0.00 0.82 0.00 0.00 66.70 67.13 2pqf h VAL 583 Cb 0.49 0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.35 2pqf h VAL 583 CO 0.00 0.01 -2.00 0.00 0.02 0.00 0.00 177.57 175.60 2pqf n GLY 585 N 1.54 -3.57 3.12 0.00 0.00 -0.69 -5.00 105.19 100.59 2pqf n GLY 585 Ca -0.20 -1.90 -0.23 0.00 0.00 0.00 0.00 46.02 43.69 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 -0.98 1.19 -0.13 1.61 1.01 -1.26 -4.87 120.40 116.97 2pqf s VAL 586 Ca 0.00 -0.63 -0.30 0.00 0.00 0.00 0.00 61.98 61.05 2pqf s VAL 586 Cb 0.00 -1.00 0.12 0.00 0.00 0.00 0.00 36.38 35.50 2pqf s VAL 586 CO 0.00 0.34 0.99 -1.38 0.00 0.00 0.00 175.10 175.05 2pqf s HIS 587 N -0.25 -0.34 0.00 5.22 -3.43 -1.26 -5.07 115.29 110.16 2pqf s HIS 587 Ca 0.04 0.49 0.00 0.00 -0.80 0.00 0.00 55.06 54.78 2pqf s HIS 587 Cb -0.07 0.48 0.00 0.00 -1.43 0.00 0.00 32.58 31.56 2pqf s HIS 587 CO -0.00 -0.38 0.00 0.41 -2.00 0.00 0.00 174.74 172.77 2pqf n GLY 588 N 0.43 0.81 3.52 -1.38 0.00 -1.26 -4.85 105.19 102.47 2pqf n GLY 588 Ca -0.09 -1.45 -0.42 0.00 0.00 0.00 0.00 46.02 44.06 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 4.03 0.09 2.61 -4.23 -1.26 -4.99 115.64 111.89 2pqf s THR 589 Ca 0.00 -0.33 -0.05 0.00 -1.18 0.00 0.00 61.69 60.12 2pqf s THR 589 Cb 0.00 -4.89 -0.05 0.00 1.34 0.00 0.00 72.50 68.89 2pqf s THR 589 CO 0.00 -1.76 0.34 -0.44 -0.54 0.00 0.00 174.62 172.22 2pqf s SER 590 N 4.07 6.50 -0.04 3.99 0.01 -1.26 -4.93 113.70 122.04 2pqf s SER 590 Ca 0.35 0.58 0.11 0.00 1.31 0.00 0.00 55.95 58.31 2pqf s SER 590 Cb -0.07 -2.09 0.34 0.00 0.21 0.00 0.00 66.02 64.41 2pqf s SER 590 CO 0.04 0.13 1.28 -1.22 0.41 0.00 0.00 173.24 173.88 2pqf n TYR 591 N 0.49 0.54 0.00 2.43 4.02 -1.26 -3.55 117.16 119.83 2pqf n TYR 591 Ca -0.06 -0.59 0.00 0.00 -0.01 0.00 0.00 57.90 57.24 2pqf n TYR 591 Cb 0.52 -0.10 0.00 0.00 -0.02 0.00 0.00 39.34 39.74 2pqf n TYR 591 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2pqf n GLY 592 N 0.19 4.38 3.57 2.72 0.00 -1.00 -2.40 105.19 112.66 2pqf n GLY 592 Ca 0.13 -1.46 -0.41 0.00 0.00 0.00 0.00 46.02 44.28 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 -3.34 3.78 0.25 1.61 1.02 0.00 -4.87 119.74 118.19 2pqf s LYS 593 Ca 0.00 -1.69 -0.06 0.00 0.02 0.00 0.00 55.97 54.24 2pqf s LYS 593 Cb 0.00 -5.47 0.02 0.00 -0.52 0.00 0.00 37.83 31.87 2pqf s LYS 593 CO 0.00 -2.36 0.43 0.41 -0.92 0.00 0.00 175.35 172.91 2pqf n GLY 594 N 5.84 1.83 3.79 -3.33 0.00 -1.26 -4.77 105.19 107.29 2pqf n GLY 594 Ca 0.44 -1.33 -0.36 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.39 7.17 -0.02 1.61 0.01 -0.70 -4.82 113.70 114.57 2pqf s SER 595 Ca 0.14 1.84 0.03 0.00 1.31 0.00 0.00 55.95 59.27 2pqf s SER 595 Cb -0.02 -2.57 -0.03 0.00 0.21 0.00 0.00 66.02 63.60 2pqf s SER 595 CO 0.10 -0.19 -0.07 -0.31 0.41 0.00 0.00 173.24 173.18 2pqf s TYR 596 N -1.73 2.89 -0.00 2.43 1.51 -1.26 -1.38 117.35 119.81 2pqf s TYR 596 Ca 0.54 -0.03 -0.04 0.00 -1.01 0.00 0.00 57.07 56.53 2pqf s TYR 596 Cb -0.17 -1.64 -0.00 0.00 -0.11 0.00 0.00 41.96 40.03 2pqf s TYR 596 CO 0.22 0.35 0.07 -0.06 -1.11 0.00 0.00 175.55 175.02 2pqf s PHE 597 N -0.93 0.08 -0.01 2.71 0.40 -0.03 -4.76 117.98 115.44 2pqf s PHE 597 Ca 0.15 -0.17 0.08 0.00 -0.60 0.00 0.00 56.93 56.40 2pqf s PHE 597 Cb -0.11 -0.07 -0.02 0.00 0.51 0.00 0.00 43.02 43.32 2pqf s PHE 597 CO 0.05 -0.19 -0.25 0.00 0.70 0.00 0.00 175.22 175.54 2pqf s ALA 598 N -1.01 2.23 0.11 5.36 0.00 -0.32 -1.33 121.76 126.80 2pqf s ALA 598 Ca -0.11 -1.14 -0.21 0.00 0.00 0.00 0.00 51.96 50.50 2pqf s ALA 598 Cb -0.06 -0.57 -0.07 0.00 0.00 0.00 0.00 23.12 22.42 2pqf s ALA 598 CO 0.00 0.53 1.73 -0.09 0.00 0.00 0.00 175.76 177.93 2pqf h ARG 599 N 5.31 0.04 -5.19 0.00 2.43 -1.47 0.23 114.38 115.73 2pqf h ARG 599 Ca -0.44 -0.00 -0.62 0.00 -0.81 0.00 0.00 59.98 58.11 2pqf h ARG 599 Cb 1.13 -0.01 -0.14 0.00 -0.42 0.00 0.00 29.97 30.53 2pqf h ARG 599 CO 0.47 0.02 -0.37 -0.51 -1.51 0.00 0.00 179.97 178.07 2pqf s ASP 600 N -5.22 6.23 0.28 -3.80 1.01 -1.26 -4.65 116.67 109.26 2pqf s ASP 600 Ca -0.13 0.26 -0.01 0.00 0.71 0.00 0.00 52.55 53.38 2pqf s ASP 600 Cb 0.09 -2.16 0.64 0.00 1.01 0.00 0.00 42.92 42.49 2pqf s ASP 600 CO 0.68 -0.03 1.61 0.00 0.21 0.00 0.00 175.17 177.64 2pqf h ALA 601 N 7.63 1.07 -1.03 5.23 0.00 -1.85 -1.05 119.26 129.26 2pqf h ALA 601 Ca -0.36 0.28 0.26 0.00 0.00 0.00 0.00 54.91 55.09 2pqf h ALA 601 Cb 1.17 0.47 -0.09 0.00 0.00 0.00 0.00 17.79 19.34 2pqf h ALA 601 CO 0.67 -0.50 0.66 0.00 0.00 0.00 0.00 179.25 180.08 2pqf h ALA 602 N 1.85 2.18 -0.13 0.00 0.00 -1.86 -1.18 119.26 120.12 2pqf h ALA 602 Ca 0.53 0.06 -0.19 0.00 0.00 0.00 0.00 54.91 55.31 2pqf h ALA 602 Cb 1.04 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 2pqf h ALA 602 CO -0.78 -0.58 -0.69 -0.92 0.00 0.00 0.00 179.25 176.29 2pqf h TYR 603 N 0.42 0.71 0.00 0.00 3.20 -1.57 -3.26 116.97 116.47 2pqf h TYR 603 Ca 0.59 -0.29 -0.06 0.00 3.14 0.00 0.00 58.73 62.11 2pqf h TYR 603 Cb 1.44 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.59 2pqf h TYR 603 CO -0.00 1.06 -0.27 0.77 -1.64 0.00 0.00 178.16 178.08 2pqf h SER 604 N 0.38 0.00 -0.85 -2.11 0.02 -1.22 -3.29 113.55 106.49 2pqf h SER 604 Ca -0.02 0.00 0.13 0.00 -0.84 0.00 0.00 61.79 61.06 2pqf h SER 604 Cb 1.26 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.66 2pqf h SER 604 CO 0.13 0.27 -0.38 -0.74 -1.14 0.00 0.00 176.83 174.96 2pqf h HIS 605 N 0.00 -1.06 -0.74 3.45 -0.00 -1.40 -0.38 115.15 115.02 2pqf h HIS 605 Ca -0.00 0.09 0.21 0.00 -0.00 0.00 0.00 60.37 60.68 2pqf h HIS 605 Cb 0.76 0.59 -0.03 0.00 -0.00 0.00 0.00 27.41 28.73 2pqf h HIS 605 CO 0.00 -0.40 0.58 1.25 -0.00 0.00 0.00 177.93 179.36 2pqf h HIS 606 N -0.06 0.00 -0.01 5.26 6.17 -1.77 0.41 115.15 125.15 2pqf h HIS 606 Ca 0.30 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.38 2pqf h HIS 606 Cb 0.58 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.51 2pqf h HIS 606 CO -0.79 0.00 -0.44 0.66 0.71 0.00 0.00 177.93 178.07 2pqf n TYR 607 N -4.13 0.00 -2.39 5.26 4.02 -0.19 -4.59 117.16 115.14 2pqf n TYR 607 Ca 0.15 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.61 2pqf n TYR 607 Cb 0.85 -0.09 0.00 0.00 -0.02 0.00 0.00 39.34 40.08 2pqf n TYR 607 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2pqf n SER 608 N -0.70 4.75 -4.76 7.72 7.64 0.13 -2.97 113.62 125.43 2pqf n SER 608 Ca 0.09 -2.95 -0.41 0.00 1.01 0.00 0.00 58.87 56.61 2pqf n SER 608 Cb 0.38 -1.63 -0.02 0.00 -1.01 0.00 0.00 64.21 61.93 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 4.26 0.02 1.43 1.02 -1.26 -4.68 119.74 123.11 2pqf s LYS 609 Ca 0.47 2.33 -0.11 0.00 0.02 0.00 0.00 55.97 58.67 2pqf s LYS 609 Cb 0.06 -3.08 0.01 0.00 -0.52 0.00 0.00 37.83 34.31 2pqf s LYS 609 CO 0.00 -0.39 0.24 0.45 -0.92 0.00 0.00 175.35 174.73 2pqf s SER 610 N 0.11 -0.05 0.05 2.83 0.15 -1.26 -4.43 113.70 111.09 2pqf s SER 610 Ca 0.56 -0.21 0.26 0.00 0.70 0.00 0.00 55.95 57.26 2pqf s SER 610 Cb -0.42 0.30 0.62 0.00 -1.71 0.00 0.00 66.02 64.80 2pqf s SER 610 CO 0.48 -0.52 1.51 0.47 1.20 0.00 0.00 173.24 176.38 2pqf n ASP 611 N 0.89 0.49 -4.58 5.45 8.00 -1.26 -4.98 116.55 120.56 2pqf n ASP 611 Ca -0.20 0.06 -0.26 0.00 0.71 0.00 0.00 54.79 55.10 2pqf n ASP 611 Cb 0.58 0.01 -0.02 0.00 -0.02 0.00 0.00 41.12 41.67 2pqf n ASP 611 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2pqf n THR 612 N -1.74 0.00 0.59 -3.53 -1.04 -1.26 -5.03 114.28 102.27 2pqf n THR 612 Ca 0.05 -2.10 0.13 0.00 -2.04 0.00 0.00 64.05 60.09 2pqf n THR 612 Cb 0.37 0.12 0.41 0.00 -1.82 0.00 0.00 70.33 69.42 2pqf n THR 612 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 2pqf n GLN 613 N -1.51 0.26 -3.28 -2.82 -0.06 -1.26 -4.78 117.38 103.93 2pqf n GLN 613 Ca -0.08 0.25 -0.40 0.00 -2.00 0.00 0.00 57.00 54.76 2pqf n GLN 613 Cb 0.59 -1.82 -0.08 0.00 -4.06 0.00 0.00 30.24 24.86 2pqf n GLN 613 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 2pqf s THR 614 N -3.13 5.08 0.17 1.69 2.01 -1.26 -3.69 115.64 116.51 2pqf s THR 614 Ca 0.10 0.58 0.04 0.00 0.31 0.00 0.00 61.69 62.72 2pqf s THR 614 Cb 0.12 -3.84 -0.04 0.00 0.01 0.00 0.00 72.50 68.75 2pqf s THR 614 CO 0.57 -0.01 0.21 -1.00 -0.69 0.00 0.00 174.62 173.71 2pqf s HIS 615 N 2.27 3.29 0.27 4.92 3.76 0.88 -4.76 115.29 125.92 2pqf s HIS 615 Ca 0.18 0.03 0.04 0.00 -0.15 0.00 0.00 55.06 55.16 2pqf s HIS 615 Cb -0.16 -1.57 -0.06 0.00 1.11 0.00 0.00 32.58 31.91 2pqf s HIS 615 CO 0.11 0.51 0.00 0.99 -0.85 0.00 0.00 174.74 175.50 2pqf s THR 616 N -1.79 1.20 0.02 1.30 2.01 -1.26 -1.16 115.64 115.96 2pqf s THR 616 Ca 0.33 -2.04 0.05 0.00 0.31 0.00 0.00 61.69 60.33 2pqf s THR 616 Cb -0.10 -2.50 -0.02 0.00 0.01 0.00 0.00 72.50 69.89 2pqf s THR 616 CO 0.26 -0.22 -0.14 -0.36 -0.69 0.00 0.00 174.62 173.47 2pqf s PHE 618 N -3.30 1.20 -0.22 4.92 0.08 -0.46 -3.37 117.98 116.84 2pqf s PHE 618 Ca 0.31 -0.30 -0.13 0.00 0.12 0.00 0.00 56.93 56.93 2pqf s PHE 618 Cb 0.06 -0.74 -0.04 0.00 -0.57 0.00 0.00 43.02 41.73 2pqf s PHE 618 CO 0.11 0.01 0.27 -1.17 -0.10 0.00 0.00 175.22 174.35 2pqf s LEU 619 N -0.81 4.14 0.09 -0.37 2.96 0.79 -1.19 118.68 124.30 2pqf s LEU 619 Ca 0.03 0.32 0.08 0.00 -0.22 0.00 0.00 54.13 54.34 2pqf s LEU 619 Cb -0.07 -2.30 -0.04 0.00 0.50 0.00 0.00 46.19 44.28 2pqf s LEU 619 CO 0.01 0.01 -0.18 0.00 -1.32 0.00 0.00 176.35 174.86 2pqf s ALA 620 N 1.12 2.66 -0.28 5.97 0.00 0.78 -0.99 121.76 131.02 2pqf s ALA 620 Ca 0.13 -1.30 -0.20 0.00 0.00 0.00 0.00 51.96 50.58 2pqf s ALA 620 Cb -0.14 -0.68 -0.01 0.00 0.00 0.00 0.00 23.12 22.29 2pqf s ALA 620 CO 0.06 0.59 0.64 0.50 0.00 0.00 0.00 175.76 177.54 2pqf s ARG 621 N -1.94 4.00 -0.12 0.00 3.52 0.16 -0.69 118.95 123.89 2pqf s ARG 621 Ca 0.17 0.42 0.02 0.00 -0.13 0.00 0.00 55.73 56.21 2pqf s ARG 621 Cb -0.11 -3.69 0.01 0.00 -1.56 0.00 0.00 34.95 29.60 2pqf s ARG 621 CO 0.09 -0.51 -0.17 0.08 -0.81 0.00 0.00 175.30 173.98 2pqf s VAL 622 N 2.58 1.66 -1.09 7.11 1.01 0.08 -0.56 120.40 131.19 2pqf s VAL 622 Ca 0.26 -0.74 -0.18 0.00 0.00 0.00 0.00 61.98 61.32 2pqf s VAL 622 Cb -0.15 -1.50 0.11 0.00 0.00 0.00 0.00 36.38 34.84 2pqf s VAL 622 CO 0.10 0.47 1.40 -0.76 0.00 0.00 0.00 175.10 176.31 2pqf s LEU 623 N 0.93 4.46 0.31 3.92 1.43 0.73 -0.85 118.68 129.61 2pqf s LEU 623 Ca -0.07 -2.22 0.16 0.00 -1.03 0.00 0.00 54.13 50.97 2pqf s LEU 623 Cb -0.15 -2.47 0.31 0.00 0.03 0.00 0.00 46.19 43.90 2pqf s LEU 623 CO -0.02 -1.11 1.56 -0.37 0.23 0.00 0.00 176.35 176.64 2pqf h VAL 624 N 5.72 0.95 0.00 -1.59 -1.51 -1.65 -3.47 116.25 114.70 2pqf h VAL 624 Ca 0.26 -2.03 0.00 0.00 -1.23 0.00 0.00 66.70 63.70 2pqf h VAL 624 Cb 0.95 2.25 0.00 0.00 -2.13 0.00 0.00 31.29 32.36 2pqf h VAL 624 CO 1.28 0.48 0.00 0.61 -1.23 0.00 0.00 177.57 178.72 2pqf n GLY 625 N 0.80 3.13 3.71 5.19 0.00 -0.67 -3.88 105.19 113.47 2pqf n GLY 625 Ca 0.01 -0.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 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 4.07 0.19 1.61 0.41 -1.26 -4.52 118.70 119.20 2pqf s GLU 626 Ca 0.00 -0.25 0.09 0.00 -0.41 0.00 0.00 54.97 54.40 2pqf s GLU 626 Cb 0.00 -3.34 -0.04 0.00 -1.78 0.00 0.00 34.13 28.96 2pqf s GLU 626 CO 0.00 0.33 -0.19 -0.59 -0.49 0.00 0.00 175.26 174.32 2pqf s PHE 627 N 0.26 1.96 0.13 1.61 -0.12 -1.26 -0.24 117.98 120.32 2pqf s PHE 627 Ca 0.07 -0.44 0.01 0.00 -0.05 0.00 0.00 56.93 56.52 2pqf s PHE 627 Cb -0.11 -0.96 -0.04 0.00 -0.63 0.00 0.00 43.02 41.28 2pqf s PHE 627 CO -0.01 0.41 -0.01 0.54 -0.05 0.00 0.00 175.22 176.10 2pqf s VAL 628 N -2.09 0.52 0.27 -2.49 0.11 -1.14 -4.98 120.40 110.60 2pqf s VAL 628 Ca 0.19 -1.93 -0.30 0.00 -2.93 0.00 0.00 61.98 57.01 2pqf s VAL 628 Cb -0.06 -1.90 -0.10 0.00 -1.53 0.00 0.00 36.38 32.79 2pqf s VAL 628 CO 0.08 -0.66 1.39 -0.60 -3.33 0.00 0.00 175.10 171.98 2pqf s ARG 629 N -3.92 4.30 0.94 1.54 3.52 -1.26 -1.18 118.95 122.90 2pqf s ARG 629 Ca 0.18 2.26 -0.16 0.00 -0.13 0.00 0.00 55.73 57.88 2pqf s ARG 629 Cb 0.06 -3.10 0.22 0.00 -1.56 0.00 0.00 34.95 30.57 2pqf s ARG 629 CO -0.01 -0.34 1.08 0.41 -0.81 0.00 0.00 175.30 175.64 2pqf n GLY 630 N 1.77 -1.96 3.56 8.12 0.00 -0.20 -4.73 105.19 111.75 2pqf n GLY 630 Ca 0.05 -1.62 -0.13 0.00 0.00 0.00 0.00 46.02 44.31 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 -4.79 -0.50 0.40 1.61 3.84 -1.01 -4.92 114.94 109.58 2pqf s ASN 631 Ca 0.64 0.58 0.10 0.00 0.21 0.00 0.00 52.86 54.39 2pqf s ASN 631 Cb -0.03 0.46 0.90 0.00 -0.55 0.00 0.00 41.25 42.03 2pqf s ASN 631 CO 0.47 -0.43 1.99 0.00 -2.79 0.00 0.00 177.10 176.33 2pqf h ALA 632 N 2.90 1.85 0.00 1.71 0.00 -1.83 -2.33 119.26 121.56 2pqf h ALA 632 Ca -0.22 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2pqf h ALA 632 Cb 1.15 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2pqf h ALA 632 CO 0.32 0.04 0.00 -1.13 0.00 0.00 0.00 179.25 178.48 2pqf n SER 633 N -4.48 0.10 -4.68 0.00 3.41 -1.26 -4.45 113.62 102.27 2pqf n SER 633 Ca 0.09 0.51 -0.42 0.00 -0.26 0.00 0.00 58.87 58.79 2pqf n SER 633 Cb 0.27 -0.54 -0.03 0.00 -0.26 0.00 0.00 64.21 63.65 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 -3.02 2.59 -0.95 7.33 2.99 -0.91 -4.88 117.98 121.14 2pqf s PHE 634 Ca 0.12 0.64 0.19 0.00 0.00 0.00 0.00 56.93 57.88 2pqf s PHE 634 Cb 0.17 -3.74 -0.19 0.00 0.00 0.00 0.00 43.02 39.25 2pqf s PHE 634 CO 0.50 -2.85 0.81 1.33 -0.00 0.00 0.00 175.22 175.01 2pqf n VAL 635 N 4.95 0.00 -3.91 -0.44 0.24 -1.26 -0.82 118.33 117.08 2pqf n VAL 635 Ca 0.14 -0.07 -0.09 0.00 -2.04 0.00 0.00 64.34 62.29 2pqf n VAL 635 Cb 0.43 1.01 -0.07 0.00 -1.47 0.00 0.00 33.84 33.75 2pqf n VAL 635 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 2pqf s ARG 636 N -2.76 1.05 0.41 7.34 0.52 -1.26 -4.91 118.95 119.34 2pqf s ARG 636 Ca 0.08 -1.08 -0.25 0.00 -0.52 0.00 0.00 55.73 53.95 2pqf s ARG 636 Cb 0.14 0.37 -0.08 0.00 0.52 0.00 0.00 34.95 35.90 2pqf s ARG 636 CO 0.76 -0.37 1.19 -2.14 0.02 0.00 0.00 175.30 174.76 2pqf s PRO 637 N -3.92 4.01 1.00 3.54 0.02 -1.26 -5.02 135.00 133.37 2pqf s PRO 637 Ca 0.12 1.88 -0.13 0.00 0.02 0.00 0.00 61.00 62.89 2pqf s PRO 637 Cb 0.04 -2.66 0.19 0.00 0.02 0.00 0.00 34.50 32.09 2pqf s PRO 637 CO -0.04 -0.37 1.10 -1.25 -0.33 0.00 0.00 177.00 176.11 2pqf s PRO 638 N -2.33 0.39 0.59 5.54 0.04 -1.26 -4.70 135.00 133.27 2pqf s PRO 638 Ca 0.58 0.42 -0.18 0.00 0.04 0.00 0.00 61.00 61.86 2pqf s PRO 638 Cb -0.32 -1.74 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 2pqf s PRO 638 CO 0.40 -2.74 1.11 0.00 0.04 0.00 0.00 177.00 175.81 2pqf s ALA 639 N -3.03 2.63 1.06 8.56 0.00 -1.26 -2.59 121.76 127.13 2pqf s ALA 639 Ca 0.66 0.67 -0.16 0.00 0.00 0.00 0.00 51.96 53.12 2pqf s ALA 639 Cb -0.18 -3.33 0.22 0.00 0.00 0.00 0.00 23.12 19.84 2pqf s ALA 639 CO 0.57 -0.93 1.15 0.15 0.00 0.00 0.00 175.76 176.70 2pqf s LYS 640 N -3.65 -0.08 -0.37 0.00 -0.14 -0.25 -4.76 119.74 110.48 2pqf s LYS 640 Ca 0.69 0.07 -0.26 0.00 -1.36 0.00 0.00 55.97 55.11 2pqf s LYS 640 Cb -0.21 -1.72 0.02 0.00 -1.68 0.00 0.00 37.83 34.24 2pqf s LYS 640 CO 0.33 -2.98 0.95 -2.00 -0.76 0.00 0.00 175.35 170.89 2pqf s GLU 641 N -5.37 3.84 0.17 1.68 2.56 -1.26 -4.75 118.70 115.58 2pqf s GLU 641 Ca 0.69 0.61 0.00 0.00 0.00 0.00 0.00 54.97 56.27 2pqf s GLU 641 Cb -0.12 -3.81 0.00 0.00 2.00 0.00 0.00 34.13 32.21 2pqf s GLU 641 CO 0.55 -0.98 0.00 0.41 -0.56 0.00 0.00 175.26 174.68 2pqf n GLY 642 N 4.38 0.98 7.00 -1.50 0.00 -1.26 -5.14 105.19 109.64 2pqf n GLY 642 Ca 0.08 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.73 2pqf n GLY 642 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2pqf n TRP 643 N 0.35 0.00 0.00 1.61 7.02 -1.26 -5.11 117.44 120.04 2pqf n TRP 643 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 2pqf n TRP 643 Cb 0.00 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.89 2pqf n TRP 643 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2pqf n ALA 646 N 10.21 0.00 -2.54 6.99 0.00 -1.26 -5.10 120.51 128.81 2pqf n ALA 646 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 2pqf n ALA 646 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 2pqf n ALA 646 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2pqf s PHE 647 N -1.33 1.78 0.84 0.00 0.08 -1.26 -1.09 117.98 117.00 2pqf s PHE 647 Ca 0.00 -0.42 -0.13 0.00 0.12 0.00 0.00 56.93 56.50 2pqf s PHE 647 Cb 0.00 -0.97 0.08 0.00 -0.57 0.00 0.00 43.02 41.56 2pqf s PHE 647 CO 0.00 0.21 1.04 0.66 -0.10 0.00 0.00 175.22 177.02 2pqf n TYR 648 N 1.06 0.69 0.72 0.36 4.01 -1.07 -4.83 117.16 118.09 2pqf n TYR 648 Ca -0.19 0.38 0.10 0.00 -0.16 0.00 0.00 57.90 58.03 2pqf n TYR 648 Cb 0.54 -2.03 -0.13 0.00 -0.31 0.00 0.00 39.34 37.40 2pqf n TYR 648 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2pqf n ASP 649 N -2.94 0.72 -3.67 7.72 8.00 0.67 -4.68 116.55 122.37 2pqf n ASP 649 Ca 0.12 -0.71 -0.03 0.00 0.71 0.00 0.00 54.79 54.87 2pqf n ASP 649 Cb 0.51 1.28 -0.01 0.00 -0.02 0.00 0.00 41.12 42.87 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 -3.43 -0.19 0.14 -2.24 1.04 -1.19 -4.77 113.70 103.07 2pqf s SER 650 Ca 0.04 -0.25 0.09 0.00 0.48 0.00 0.00 55.95 56.31 2pqf s SER 650 Cb 0.15 0.38 -0.04 0.00 0.10 0.00 0.00 66.02 66.62 2pqf s SER 650 CO 0.88 -0.69 -0.21 0.00 0.98 0.00 0.00 173.24 174.20 2pqf s VAL 652 N -1.56 0.41 -0.62 0.00 -7.23 -0.32 -0.90 120.40 110.18 2pqf s VAL 652 Ca 0.13 -2.00 0.24 0.00 -1.81 0.00 0.00 61.98 58.54 2pqf s VAL 652 Cb -0.08 -2.48 0.07 0.00 0.56 0.00 0.00 36.38 34.44 2pqf s VAL 652 CO 0.06 0.00 1.34 -0.55 -0.31 0.00 0.00 175.10 175.65 2pqf h ASN 653 N 2.09 0.00 -1.25 4.85 -1.07 -1.82 -0.52 115.58 117.86 2pqf h ASN 653 Ca -0.34 -0.18 0.15 0.00 0.07 0.00 0.00 56.30 56.00 2pqf h ASN 653 Cb 1.25 0.00 -0.23 0.00 -2.07 0.00 0.00 38.32 37.27 2pqf h ASN 653 CO 0.53 0.09 0.13 -0.55 0.07 0.00 0.00 177.43 177.70 2pqf s SER 654 N -4.35 -0.72 0.15 6.14 0.15 -1.26 -4.94 113.70 108.87 2pqf s SER 654 Ca 0.06 0.99 -0.09 0.00 0.70 0.00 0.00 55.95 57.61 2pqf s SER 654 Cb 0.13 1.82 -0.02 0.00 -1.71 0.00 0.00 66.02 66.24 2pqf s SER 654 CO 0.71 -0.14 1.45 -0.37 1.20 0.00 0.00 173.24 176.10 2pqf h VAL 655 N 5.63 1.28 0.00 4.45 -1.51 -1.93 -2.23 116.25 121.95 2pqf h VAL 655 Ca -0.16 -1.70 -0.12 0.00 -1.23 0.00 0.00 66.70 63.48 2pqf h VAL 655 Cb 1.11 1.61 -0.02 0.00 -2.13 0.00 0.00 31.29 31.86 2pqf h VAL 655 CO 0.08 0.55 -0.57 0.77 -1.23 0.00 0.00 177.57 177.18 2pqf h SER 656 N 0.63 0.00 -1.24 4.19 4.64 -2.00 -3.38 113.55 116.38 2pqf h SER 656 Ca 0.02 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.99 2pqf h SER 656 Cb 1.10 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 62.93 2pqf h SER 656 CO 0.11 0.57 -0.73 -0.67 -0.87 0.00 0.00 176.83 175.23 2pqf n ASP 657 N -3.68 -1.86 -4.73 4.97 2.03 -1.23 -5.13 116.55 106.93 2pqf n ASP 657 Ca -0.01 -2.86 -0.41 0.00 0.52 0.00 0.00 54.79 52.03 2pqf n ASP 657 Cb 0.61 0.74 -0.04 0.00 -0.72 0.00 0.00 41.12 41.72 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 4.54 0.00 -0.67 0.04 -0.84 -4.63 135.00 133.63 2pqf s PRO 658 Ca 0.32 1.68 0.00 0.00 0.04 0.00 0.00 61.00 63.04 2pqf s PRO 658 Cb 0.11 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 31.32 2pqf s PRO 658 CO -0.15 -0.04 0.00 -1.13 0.04 0.00 0.00 177.00 175.71 2pqf n SER 659 N 3.11 0.22 -4.02 6.66 3.41 -1.26 -4.87 113.62 116.87 2pqf n SER 659 Ca 0.05 -0.27 -0.26 0.00 -0.26 0.00 0.00 58.87 58.13 2pqf n SER 659 Cb 0.47 0.59 -0.17 0.00 -0.26 0.00 0.00 64.21 64.84 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 -0.64 1.25 -0.05 -1.33 1.01 -1.26 -1.16 121.20 119.02 2pqf s ILE 660 Ca 0.00 -0.52 0.06 0.00 0.00 0.00 0.00 60.65 60.20 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 -0.24 -0.36 0.00 0.00 0.00 174.94 174.73 2pqf s PHE 661 N 0.86 2.45 -0.16 3.97 0.08 -0.44 -2.54 117.98 122.19 2pqf s PHE 661 Ca -0.10 -0.60 -0.03 0.00 0.12 0.00 0.00 56.93 56.32 2pqf s PHE 661 Cb -0.15 -1.59 -0.02 0.00 -0.57 0.00 0.00 43.02 40.69 2pqf s PHE 661 CO 0.01 -0.14 -0.06 0.08 -0.10 0.00 0.00 175.22 175.02 2pqf s VAL 662 N -0.31 3.62 -0.10 -0.44 1.01 -0.08 -0.85 120.40 123.26 2pqf s VAL 662 Ca 0.01 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 61.57 2pqf s VAL 662 Cb -0.13 -2.58 -0.01 0.00 0.00 0.00 0.00 36.38 33.66 2pqf s VAL 662 CO 0.02 0.49 -0.19 -0.63 0.00 0.00 0.00 175.10 174.79 2pqf s ILE 663 N 0.53 2.56 -2.26 2.22 1.09 -0.48 -2.37 121.20 122.48 2pqf s ILE 663 Ca -0.04 -0.86 0.19 0.00 -1.10 0.00 0.00 60.65 58.84 2pqf s ILE 663 Cb -0.15 -2.01 0.12 0.00 -1.06 0.00 0.00 42.46 39.36 2pqf s ILE 663 CO 0.03 0.55 1.08 0.49 -0.10 0.00 0.00 174.94 176.99 2pqf n PHE 664 N 3.25 0.00 -3.75 3.97 3.72 -1.26 -1.71 117.46 121.68 2pqf n PHE 664 Ca -0.18 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 56.95 2pqf n PHE 664 Cb 0.53 0.00 -0.17 0.00 -0.94 0.00 0.00 39.48 38.90 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 -1.72 0.67 0.50 -1.08 2.56 -1.26 -5.02 118.70 113.35 2pqf s GLU 665 Ca 0.21 -0.34 0.16 0.00 0.00 0.00 0.00 54.97 54.99 2pqf s GLU 665 Cb 0.16 -1.94 1.20 0.00 2.00 0.00 0.00 34.13 35.55 2pqf s GLU 665 CO 0.29 -0.58 2.10 1.57 -0.56 0.00 0.00 175.26 178.08 2pqf h LYS 666 N 8.25 0.00 0.00 4.30 2.10 -1.91 -1.77 116.57 127.54 2pqf h LYS 666 Ca -0.17 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.48 2pqf h LYS 666 Cb 1.12 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.45 2pqf h LYS 666 CO 0.33 0.05 0.00 0.45 -2.00 0.00 0.00 179.45 178.28 2pqf h HIS 667 N 0.00 0.00 0.00 0.07 3.86 -1.95 -1.10 115.15 116.03 2pqf h HIS 667 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2pqf h HIS 667 Cb 0.09 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.56 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 -2.96 0.92 -4.12 2.45 6.02 -0.67 -4.08 117.38 114.94 2pqf n GLN 668 Ca -0.03 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.79 2pqf n GLN 668 Cb 0.07 -1.15 -0.15 0.00 1.02 0.00 0.00 30.24 30.03 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 -2.00 0.40 -0.17 5.09 1.01 -0.42 -0.19 120.40 124.12 2pqf s VAL 669 Ca 0.13 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 61.97 2pqf s VAL 669 Cb 0.06 -0.39 0.03 0.00 0.00 0.00 0.00 36.38 36.08 2pqf s VAL 669 CO 0.10 0.15 -0.15 -0.47 0.00 0.00 0.00 175.10 174.72 2pqf s TYR 670 N 0.31 2.45 -0.19 5.22 5.04 0.28 -4.89 117.35 125.56 2pqf s TYR 670 Ca -0.03 -1.46 -0.29 0.00 -2.44 0.00 0.00 57.07 52.85 2pqf s TYR 670 Cb -0.07 -1.72 -0.03 0.00 0.35 0.00 0.00 41.96 40.49 2pqf s TYR 670 CO -0.00 -0.73 1.53 -1.25 -1.34 0.00 0.00 175.55 173.75 2pqf s PRO 671 N 1.40 3.95 -0.26 4.97 0.04 -1.26 -0.66 135.00 143.17 2pqf s PRO 671 Ca 0.04 1.70 -0.11 0.00 0.04 0.00 0.00 61.00 62.67 2pqf s PRO 671 Cb -0.14 -3.97 -0.12 0.00 0.04 0.00 0.00 34.50 30.32 2pqf s PRO 671 CO -0.11 -1.10 -0.32 -1.91 0.04 0.00 0.00 177.00 173.60 2pqf n GLU 672 N 7.36 0.56 -3.83 4.56 2.13 -0.16 -4.63 120.64 126.63 2pqf n GLU 672 Ca 0.17 0.23 -0.13 0.00 0.66 0.00 0.00 57.16 58.09 2pqf n GLU 672 Cb 0.45 -1.44 -0.14 0.00 0.27 0.00 0.00 31.44 30.58 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 -2.48 -0.03 -0.30 4.31 2.02 -0.45 -1.09 117.35 119.33 2pqf s TYR 673 Ca -0.36 0.12 -0.15 0.00 -0.37 0.00 0.00 57.07 56.31 2pqf s TYR 673 Cb 0.13 -0.05 -0.03 0.00 -0.40 0.00 0.00 41.96 41.62 2pqf s TYR 673 CO 0.48 -0.04 0.36 0.08 -1.57 0.00 0.00 175.55 174.85 2pqf s VAL 674 N 0.32 5.18 -0.29 0.71 1.01 -0.32 -0.15 120.40 126.86 2pqf s VAL 674 Ca -0.02 0.32 -0.08 0.00 0.00 0.00 0.00 61.98 62.20 2pqf s VAL 674 Cb -0.04 -3.74 -0.00 0.00 0.00 0.00 0.00 36.38 32.60 2pqf s VAL 674 CO -0.01 0.06 0.10 -0.63 0.00 0.00 0.00 175.10 174.62 2pqf s ILE 675 N 2.03 4.22 -0.24 2.22 1.01 -1.26 -1.53 121.20 127.66 2pqf s ILE 675 Ca 0.13 -0.51 -0.09 0.00 0.00 0.00 0.00 60.65 60.18 2pqf s ILE 675 Cb -0.16 -3.13 -0.04 0.00 0.01 0.00 0.00 42.46 39.13 2pqf s ILE 675 CO 0.11 0.13 0.13 -1.10 0.00 0.00 0.00 174.94 174.21 2pqf s GLN 676 N 1.56 3.95 0.14 2.79 -0.21 -0.71 -4.26 119.66 122.92 2pqf s GLN 676 Ca 0.04 -0.33 0.01 0.00 0.02 0.00 0.00 55.36 55.10 2pqf s GLN 676 Cb -0.17 -3.46 -0.04 0.00 1.00 0.00 0.00 33.01 30.33 2pqf s GLN 676 CO 0.04 0.01 0.00 1.52 -2.12 0.00 0.00 175.29 174.74 2pqf s TYR 677 N 1.17 1.01 0.09 0.91 1.13 -0.31 0.21 117.35 121.56 2pqf s TYR 677 Ca 0.06 -1.06 0.10 0.00 -1.41 0.00 0.00 57.07 54.76 2pqf s TYR 677 Cb -0.14 -0.58 -0.04 0.00 -1.10 0.00 0.00 41.96 40.10 2pqf s TYR 677 CO 0.05 -0.30 -0.25 -0.08 -2.51 0.00 0.00 175.55 172.46 2pqf s THR 678 N -3.78 2.35 -2.39 -3.49 -1.32 0.39 -0.08 115.64 107.31 2pqf s THR 678 Ca 0.21 -1.54 0.22 0.00 -1.21 0.00 0.00 61.69 59.36 2pqf s THR 678 Cb 0.06 -2.00 0.44 0.00 -1.51 0.00 0.00 72.50 69.50 2pqf s THR 678 CO 0.01 0.21 1.51 0.35 -2.21 0.00 0.00 174.62 174.49 2pqf n THR 679 N 1.26 0.24 -0.01 5.08 -2.24 -1.24 -1.32 114.28 116.06 2pqf n THR 679 Ca -0.17 -0.44 -0.02 0.00 -2.27 0.00 0.00 64.05 61.15 2pqf n THR 679 Cb 0.52 0.59 -0.01 0.00 -2.10 0.00 0.00 70.33 69.34 2pqf n THR 679 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2pqf n SER 680 N 0.63 0.66 0.00 3.42 3.41 -1.26 -4.95 113.62 115.53 2pqf n SER 680 Ca 0.17 0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.88 2pqf n SER 680 Cb 0.41 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 2pqf n SER 680 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64