#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 0.62 -0.97 -0.67 -0.04 -1.26 -4.92 135.00 127.76 2pqf n PRO 496 Ca 0.00 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 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 0.35 0.75 3.26 0.55 0.00 -1.26 -4.91 105.19 103.94 2pqf n GLY 497 Ca 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.99 0.48 0.10 1.61 -0.12 -1.26 -4.35 117.98 111.45 2pqf s PHE 498 Ca 0.00 -0.87 0.02 0.00 -0.05 0.00 0.00 56.93 56.03 2pqf s PHE 498 Cb 0.00 -0.18 -0.04 0.00 -0.63 0.00 0.00 43.02 42.17 2pqf s PHE 498 CO 0.00 -0.63 -0.06 -0.65 -0.05 0.00 0.00 175.22 173.83 2pqf s GLN 499 N -3.97 0.84 -0.14 1.99 -0.21 -0.13 -4.99 119.66 113.05 2pqf s GLN 499 Ca 0.17 -1.34 0.00 0.00 0.02 0.00 0.00 55.36 54.21 2pqf s GLN 499 Cb 0.05 -0.18 0.02 0.00 1.00 0.00 0.00 33.01 33.90 2pqf s GLN 499 CO -0.01 -0.03 -0.13 0.15 -2.12 0.00 0.00 175.29 173.14 2pqf s LYS 500 N -3.85 2.14 -0.28 2.91 1.02 -1.26 -1.31 119.74 119.12 2pqf s LYS 500 Ca 0.12 -0.50 -0.03 0.00 0.02 0.00 0.00 55.97 55.58 2pqf s LYS 500 Cb 0.06 -1.98 0.03 0.00 -0.52 0.00 0.00 37.83 35.41 2pqf s LYS 500 CO -0.04 -0.22 -0.00 0.42 -0.92 0.00 0.00 175.35 174.58 2pqf s ILE 501 N 1.47 3.19 0.04 2.17 -1.09 -0.43 -4.89 121.20 121.66 2pqf s ILE 501 Ca 0.04 -1.07 -0.30 0.00 -2.23 0.00 0.00 60.65 57.08 2pqf s ILE 501 Cb -0.13 -2.70 -0.08 0.00 -1.58 0.00 0.00 42.46 37.98 2pqf s ILE 501 CO -0.09 0.06 1.65 -0.89 -1.23 0.00 0.00 174.94 174.43 2pqf s THR 502 N 1.34 3.19 0.18 2.92 2.01 -1.26 0.35 115.64 124.37 2pqf s THR 502 Ca -0.01 0.56 -0.11 0.00 0.31 0.00 0.00 61.69 62.44 2pqf s THR 502 Cb -0.18 -3.36 -0.07 0.00 0.01 0.00 0.00 72.50 68.90 2pqf s THR 502 CO -0.02 -0.01 0.52 -0.76 -0.69 0.00 0.00 174.62 173.66 2pqf s LEU 503 N 2.94 4.24 0.39 4.42 1.43 0.23 -4.93 118.68 127.41 2pqf s LEU 503 Ca 0.74 0.92 -0.26 0.00 -1.03 0.00 0.00 54.13 54.50 2pqf s LEU 503 Cb -0.38 -3.46 -0.09 0.00 0.03 0.00 0.00 46.19 42.29 2pqf s LEU 503 CO 0.32 0.01 1.17 -0.55 0.23 0.00 0.00 176.35 177.53 2pqf s SER 504 N -2.12 6.58 0.51 2.29 0.15 -1.26 -4.67 113.70 115.18 2pqf s SER 504 Ca 0.43 2.35 0.30 0.00 0.70 0.00 0.00 55.95 59.73 2pqf s SER 504 Cb -0.13 -2.62 1.18 0.00 -1.71 0.00 0.00 66.02 62.75 2pqf s SER 504 CO 0.20 -0.63 1.92 0.77 1.20 0.00 0.00 173.24 176.70 2pqf h SER 505 N 2.74 0.00 0.31 5.45 4.64 -1.97 -2.45 113.55 122.27 2pqf h SER 505 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2pqf h SER 505 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2pqf h SER 505 CO 0.63 0.08 -0.31 -1.54 -0.87 0.00 0.00 176.83 174.82 2pqf n SER 506 N -3.21 0.86 -4.78 4.97 3.41 -1.26 -4.65 113.62 108.96 2pqf n SER 506 Ca 0.00 -0.70 -0.36 0.00 -0.26 0.00 0.00 58.87 57.55 2pqf n SER 506 Cb 0.35 0.15 -0.03 0.00 -0.26 0.00 0.00 64.21 64.43 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 -2.63 6.55 0.25 4.04 1.04 -0.92 -4.95 113.70 117.07 2pqf s SER 507 Ca 0.21 2.10 -0.03 0.00 0.48 0.00 0.00 55.95 58.71 2pqf s SER 507 Cb 0.19 -2.59 0.29 0.00 0.10 0.00 0.00 66.02 64.01 2pqf s SER 507 CO 0.57 -0.64 1.72 -0.08 0.98 0.00 0.00 173.24 175.79 2pqf h GLU 508 N 2.27 0.78 -0.45 4.02 4.81 -1.91 -1.48 114.58 122.62 2pqf h GLU 508 Ca -0.49 -0.24 0.04 0.00 -0.13 0.00 0.00 59.36 58.54 2pqf h GLU 508 Cb 1.22 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.49 2pqf h GLU 508 CO 0.61 0.84 0.23 1.49 -0.73 0.00 0.00 179.01 181.45 2pqf h GLU 509 N 0.72 0.44 -0.04 1.92 4.81 -1.93 -0.75 114.58 119.75 2pqf h GLU 509 Ca 0.13 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.34 2pqf h GLU 509 Cb 0.54 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 2pqf h GLU 509 CO 0.03 0.29 -0.00 -0.92 -0.73 0.00 0.00 179.01 177.68 2pqf h TYR 510 N 0.45 -0.00 -0.81 0.92 3.20 -1.73 -3.09 116.97 115.91 2pqf h TYR 510 Ca 0.19 0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.12 2pqf h TYR 510 Cb 0.10 0.01 -0.05 0.00 1.54 0.00 0.00 36.73 38.33 2pqf h TYR 510 CO -0.10 -0.00 0.53 1.96 -1.64 0.00 0.00 178.16 178.91 2pqf h GLN 511 N 0.01 0.91 0.39 1.82 1.08 -0.90 0.30 115.11 118.72 2pqf h GLN 511 Ca 0.02 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.14 2pqf h GLN 511 Cb 0.02 -0.21 0.00 0.00 -0.05 0.00 0.00 27.48 27.25 2pqf h GLN 511 CO -0.03 0.60 -0.20 0.87 -0.95 0.00 0.00 178.83 179.12 2pqf h LYS 512 N 0.94 -0.52 -0.94 1.46 1.57 -1.12 0.47 116.57 118.43 2pqf h LYS 512 Ca 0.34 0.04 0.03 0.00 -1.87 0.00 0.00 60.65 59.18 2pqf h LYS 512 Cb 0.15 0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.52 2pqf h LYS 512 CO -0.11 -0.35 0.61 0.28 -0.57 0.00 0.00 179.45 179.31 2pqf h VAL 513 N -0.54 1.19 -0.41 0.50 2.07 -1.39 -2.02 116.25 115.65 2pqf h VAL 513 Ca -0.05 -0.42 -0.04 0.00 0.82 0.00 0.00 66.70 67.01 2pqf h VAL 513 Cb 0.42 -0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.04 2pqf h VAL 513 CO 0.08 0.22 0.08 -0.25 0.02 0.00 0.00 177.57 177.72 2pqf h TRP 514 N 1.22 0.70 -0.79 1.57 7.01 -0.52 -1.61 115.95 123.53 2pqf h TRP 514 Ca 0.36 -0.09 0.05 0.00 2.11 0.00 0.00 58.89 61.32 2pqf h TRP 514 Cb -0.05 -0.19 -0.05 0.00 -2.10 0.00 0.00 29.16 26.76 2pqf h TRP 514 CO -0.01 0.68 0.49 -0.91 -2.79 0.00 0.00 178.44 175.91 2pqf h ASN 515 N 0.52 0.79 -0.45 2.65 2.35 0.10 -0.12 115.58 121.43 2pqf h ASN 515 Ca 0.12 0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.86 2pqf h ASN 515 Cb 0.35 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.54 2pqf h ASN 515 CO 0.01 0.53 0.19 -0.07 -1.65 0.00 0.00 177.43 176.43 2pqf h LEU 516 N 0.93 0.61 0.10 1.61 3.38 -0.89 -2.45 115.31 118.60 2pqf h LEU 516 Ca 0.33 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 58.15 2pqf h LEU 516 Cb 0.09 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2pqf h LEU 516 CO -0.14 0.60 -0.11 0.15 0.09 0.00 0.00 178.44 179.03 2pqf h PHE 517 N 0.58 -0.29 0.00 1.13 3.57 -1.04 -3.17 116.94 117.73 2pqf h PHE 517 Ca 0.15 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.63 2pqf h PHE 517 Cb 0.17 0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.02 2pqf h PHE 517 CO -0.00 -0.17 -0.10 -0.97 -2.23 0.00 0.00 178.31 174.84 2pqf h ASN 518 N -0.24 0.00 -0.82 0.41 -0.73 -0.97 -2.12 115.58 111.11 2pqf h ASN 518 Ca 0.01 0.00 0.19 0.00 1.87 0.00 0.00 56.30 58.37 2pqf h ASN 518 Cb 0.24 0.00 -0.12 0.00 0.27 0.00 0.00 38.32 38.71 2pqf h ASN 518 CO -0.04 0.10 0.25 0.03 -0.37 0.00 0.00 177.43 177.40 2pqf h ARG 519 N 0.00 0.29 0.00 6.67 3.08 -1.40 -2.47 114.38 120.55 2pqf h ARG 519 Ca -0.00 -0.02 -0.19 0.00 0.07 0.00 0.00 59.98 59.84 2pqf h ARG 519 Cb 0.19 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.14 2pqf h ARG 519 CO 0.01 0.19 -2.11 2.41 -1.07 0.00 0.00 179.97 179.40 2pqf n THR 520 N -5.14 0.78 -3.03 2.04 -1.04 -1.06 -4.73 114.28 102.10 2pqf n THR 520 Ca 0.18 -0.69 -0.20 0.00 -2.04 0.00 0.00 64.05 61.30 2pqf n THR 520 Cb 0.56 -0.30 -0.02 0.00 -1.82 0.00 0.00 70.33 68.75 2pqf n THR 520 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2pqf n LEU 521 N -2.56 2.05 0.05 -4.42 4.77 -0.82 -4.51 117.00 111.56 2pqf n LEU 521 Ca -0.18 -5.06 0.08 0.00 -0.03 0.00 0.00 56.01 50.82 2pqf n LEU 521 Cb 0.88 0.29 0.35 0.00 -2.33 0.00 0.00 43.42 42.61 2pqf n LEU 521 CO 0.44 2.23 0.75 -0.81 -1.33 0.00 0.00 177.39 178.67 2pqf n PRO 522 N 0.07 0.07 -0.13 3.23 -0.04 -0.94 -2.81 135.00 134.44 2pqf n PRO 522 Ca 0.26 0.34 0.07 0.00 -0.04 0.00 0.00 63.50 64.13 2pqf n PRO 522 Cb 0.61 -1.64 0.14 0.00 -0.04 0.00 0.00 33.50 32.57 2pqf n PRO 522 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 2pqf n PHE 523 N -1.77 0.35 -3.62 0.54 1.16 -1.26 -4.93 117.46 107.94 2pqf n PHE 523 Ca 0.03 -0.30 -0.20 0.00 -1.87 0.00 0.00 57.45 55.11 2pqf n PHE 523 Cb 0.17 -0.01 -0.01 0.00 -1.61 0.00 0.00 39.48 38.02 2pqf n PHE 523 CO 0.00 0.00 0.00 0.71 -1.87 0.00 0.00 176.76 175.60 2pqf s TYR 524 N -1.07 3.17 -0.13 2.97 2.02 -1.12 -4.93 117.35 118.25 2pqf s TYR 524 Ca 0.24 -0.18 0.02 0.00 -0.37 0.00 0.00 57.07 56.78 2pqf s TYR 524 Cb 0.14 -1.88 0.01 0.00 -0.40 0.00 0.00 41.96 39.84 2pqf s TYR 524 CO 0.19 0.11 -0.20 -0.06 -1.57 0.00 0.00 175.55 174.03 2pqf s PHE 525 N -2.14 2.45 -0.22 2.71 0.08 -0.77 -4.98 117.98 115.11 2pqf s PHE 525 Ca 0.42 -1.24 -0.21 0.00 0.12 0.00 0.00 56.93 56.02 2pqf s PHE 525 Cb -0.09 -1.70 -0.02 0.00 -0.57 0.00 0.00 43.02 40.64 2pqf s PHE 525 CO 0.30 -0.59 0.65 0.08 -0.10 0.00 0.00 175.22 175.56 2pqf s VAL 526 N 0.93 4.99 -0.07 -0.44 1.01 -1.26 0.44 120.40 125.99 2pqf s VAL 526 Ca -0.05 1.21 0.09 0.00 0.00 0.00 0.00 61.98 63.23 2pqf s VAL 526 Cb -0.15 -3.96 -0.24 0.00 0.00 0.00 0.00 36.38 32.03 2pqf s VAL 526 CO -0.03 0.06 0.55 0.00 0.00 0.00 0.00 175.10 175.68 2pqf n GLN 527 N 5.38 0.66 -3.64 2.72 6.02 0.15 -4.95 117.38 123.73 2pqf n GLN 527 Ca -0.00 0.27 -0.14 0.00 -0.01 0.00 0.00 57.00 57.11 2pqf n GLN 527 Cb 0.49 -1.75 -0.07 0.00 1.02 0.00 0.00 30.24 29.93 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 -2.58 0.81 -0.11 -1.09 2.20 -0.54 -4.99 119.74 113.45 2pqf s LYS 528 Ca -0.09 0.93 0.02 0.00 -0.36 0.00 0.00 55.97 56.47 2pqf s LYS 528 Cb 0.08 0.40 0.01 0.00 -1.51 0.00 0.00 37.83 36.81 2pqf s LYS 528 CO 0.81 -0.10 -0.15 0.42 -0.36 0.00 0.00 175.35 175.97 2pqf s ILE 529 N 0.30 1.46 -0.10 5.43 1.01 -1.26 0.45 121.20 128.49 2pqf s ILE 529 Ca -0.00 -0.62 0.01 0.00 0.00 0.00 0.00 60.65 60.04 2pqf s ILE 529 Cb -0.05 -1.34 -0.02 0.00 0.01 0.00 0.00 42.46 41.07 2pqf s ILE 529 CO 0.01 0.43 -0.14 -1.61 0.00 0.00 0.00 174.94 173.64 2pqf s GLU 530 N 0.99 3.05 -0.16 2.79 2.02 -0.21 -0.60 118.70 126.58 2pqf s GLU 530 Ca -0.07 -0.69 -0.27 0.00 0.02 0.00 0.00 54.97 53.96 2pqf s GLU 530 Cb -0.15 -2.53 -0.01 0.00 0.10 0.00 0.00 34.13 31.54 2pqf s GLU 530 CO -0.01 0.37 0.92 0.50 0.02 0.00 0.00 175.26 177.06 2pqf s ARG 531 N -0.06 4.32 -0.07 1.61 3.52 0.15 -1.04 118.95 127.39 2pqf s ARG 531 Ca -0.03 1.19 -0.25 0.00 -0.13 0.00 0.00 55.73 56.51 2pqf s ARG 531 Cb -0.14 -3.58 -0.03 0.00 -1.56 0.00 0.00 34.95 29.64 2pqf s ARG 531 CO 0.04 -0.39 0.80 0.08 -0.81 0.00 0.00 175.30 175.02 2pqf s VAL 532 N 2.33 4.97 -0.32 7.11 1.01 -0.55 -1.31 120.40 133.63 2pqf s VAL 532 Ca 0.42 1.63 0.03 0.00 0.00 0.00 0.00 61.98 64.06 2pqf s VAL 532 Cb -0.17 -4.13 0.09 0.00 0.00 0.00 0.00 36.38 32.18 2pqf s VAL 532 CO 0.13 0.18 0.04 -1.10 0.00 0.00 0.00 175.10 174.35 2pqf s GLN 533 N 1.14 1.43 -0.24 2.72 -0.21 -0.43 -4.83 119.66 119.24 2pqf s GLN 533 Ca 0.41 -1.65 -0.02 0.00 0.02 0.00 0.00 55.36 54.12 2pqf s GLN 533 Cb -0.18 -2.94 0.08 0.00 1.00 0.00 0.00 33.01 30.96 2pqf s GLN 533 CO 0.19 -0.90 0.07 1.21 -2.12 0.00 0.00 175.29 173.75 2pqf s ASN 534 N 1.06 3.33 0.17 5.90 3.84 -1.26 -0.95 114.94 127.03 2pqf s ASN 534 Ca 0.08 -1.13 -0.09 0.00 0.21 0.00 0.00 52.86 51.93 2pqf s ASN 534 Cb -0.19 -0.63 0.04 0.00 -0.55 0.00 0.00 41.25 39.92 2pqf s ASN 534 CO -0.10 -0.36 1.60 0.25 -2.79 0.00 0.00 177.10 175.70 2pqf h LEU 535 N 8.23 1.05 -0.37 3.21 5.85 -1.97 -0.47 115.31 130.83 2pqf h LEU 535 Ca -0.16 -0.34 0.02 0.00 0.84 0.00 0.00 57.88 58.24 2pqf h LEU 535 Cb 1.07 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.79 2pqf h LEU 535 CO 0.39 1.15 0.20 0.00 -0.34 0.00 0.00 178.44 179.84 2pqf h ALA 536 N 0.94 0.46 -0.12 1.25 0.00 -1.96 0.19 119.26 120.01 2pqf h ALA 536 Ca 0.15 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 2pqf h ALA 536 Cb 0.67 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2pqf h ALA 536 CO 0.05 -0.15 -0.41 -0.07 0.00 0.00 0.00 179.25 178.67 2pqf h LEU 537 N 0.41 0.29 0.02 0.00 3.38 -1.88 -2.54 115.31 114.99 2pqf h LEU 537 Ca 0.15 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 2pqf h LEU 537 Cb 0.03 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2pqf h LEU 537 CO -0.08 0.67 -0.01 -0.25 0.09 0.00 0.00 178.44 178.86 2pqf h TRP 538 N 0.23 -0.02 -0.67 1.13 2.91 -0.44 -2.51 115.95 116.58 2pqf h TRP 538 Ca 0.02 -0.00 0.06 0.00 1.13 0.00 0.00 58.89 60.10 2pqf h TRP 538 Cb 0.83 0.01 -0.05 0.00 -0.51 0.00 0.00 29.16 29.43 2pqf h TRP 538 CO 0.02 0.31 0.37 0.93 -1.03 0.00 0.00 178.44 179.04 2pqf h GLU 539 N -0.36 0.67 -0.11 2.65 5.08 -0.59 -0.77 114.58 121.16 2pqf h GLU 539 Ca -0.00 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.18 2pqf h GLU 539 Cb 0.34 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2pqf h GLU 539 CO 0.00 0.44 -0.53 -0.24 -1.00 0.00 0.00 179.01 177.69 2pqf h VAL 540 N 0.69 1.35 -0.16 3.13 3.04 -1.50 -0.75 116.25 122.06 2pqf h VAL 540 Ca 0.30 -1.81 -0.00 0.00 -1.01 0.00 0.00 66.70 64.18 2pqf h VAL 540 Cb 0.18 1.86 -0.01 0.00 -2.01 0.00 0.00 31.29 31.31 2pqf h VAL 540 CO -0.18 0.54 0.09 0.22 -1.01 0.00 0.00 177.57 177.23 2pqf h TYR 541 N 0.24 0.21 -0.47 3.17 3.20 -1.07 -0.57 116.97 121.68 2pqf h TYR 541 Ca 0.01 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.79 2pqf h TYR 541 Cb 1.02 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 39.20 2pqf h TYR 541 CO 0.02 0.20 -0.05 1.96 -1.64 0.00 0.00 178.16 178.66 2pqf h GLN 542 N 0.17 0.80 -0.36 1.82 1.08 -0.99 -1.83 115.11 115.80 2pqf h GLN 542 Ca 0.06 -0.24 -0.00 0.00 -1.45 0.00 0.00 58.65 57.01 2pqf h GLN 542 Cb 0.05 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.38 2pqf h GLN 542 CO -0.01 0.84 0.21 2.35 -0.95 0.00 0.00 178.83 181.27 2pqf h TRP 543 N 0.74 0.47 -0.86 2.96 7.01 -1.06 -2.46 115.95 122.75 2pqf h TRP 543 Ca 0.14 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.14 2pqf h TRP 543 Cb 0.52 -0.15 -0.04 0.00 -2.10 0.00 0.00 29.16 27.38 2pqf h TRP 543 CO 0.03 0.34 0.54 0.37 -2.79 0.00 0.00 178.44 176.93 2pqf h GLN 544 N 0.46 1.14 -0.54 2.65 5.75 -0.70 -1.63 115.11 122.25 2pqf h GLN 544 Ca 0.13 -0.08 0.03 0.00 -0.15 0.00 0.00 58.65 58.58 2pqf h GLN 544 Cb 0.01 -0.25 -0.04 0.00 1.07 0.00 0.00 27.48 28.27 2pqf h GLN 544 CO -0.02 0.78 0.31 -0.22 -2.65 0.00 0.00 178.83 177.02 2pqf h LYS 545 N 1.17 0.58 -0.30 1.69 3.64 -1.17 -3.13 116.57 119.05 2pqf h LYS 545 Ca 0.31 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.65 2pqf h LYS 545 Cb -0.10 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.58 2pqf h LYS 545 CO -0.06 0.39 0.17 0.78 -2.27 0.00 0.00 179.45 178.45 2pqf h GLY 546 N 0.60 0.44 -1.54 5.01 0.00 -0.94 -0.52 103.07 106.12 2pqf h GLY 546 Ca 0.22 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.36 2pqf h GLY 546 CO -0.12 0.19 0.00 -1.06 0.00 0.00 0.00 176.54 175.55 2pqf n GLN 547 N -4.82 0.00 0.00 4.80 1.13 -0.66 -1.98 117.38 115.84 2pqf n GLN 547 Ca -0.02 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.04 2pqf n GLN 547 Cb 0.07 -1.18 0.00 0.00 0.11 0.00 0.00 30.24 29.24 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 0.70 0.00 0.29 -1.09 6.02 -0.20 -2.99 117.38 120.11 2pqf n GLN 549 Ca 0.00 0.00 0.16 0.00 -0.01 0.00 0.00 57.00 57.15 2pqf n GLN 549 Cb 0.00 0.00 0.87 0.00 1.02 0.00 0.00 30.24 32.13 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 -0.15 -1.09 1.57 -1.67 -2.57 116.57 112.65 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 0.06 0.00 0.00 -0.57 0.00 0.00 179.45 178.94 2pqf n GLN 551 N -3.41 2.36 -0.10 3.15 10.64 -1.16 -4.67 117.38 124.20 2pqf n GLN 551 Ca -0.02 -2.51 0.12 0.00 -1.83 0.00 0.00 57.00 52.77 2pqf n GLN 551 Cb 0.19 -1.56 0.24 0.00 -0.86 0.00 0.00 30.24 28.25 2pqf n GLN 551 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 2pqf n ASN 552 N -0.70 2.82 -2.35 2.61 4.05 -0.97 -4.95 115.26 115.78 2pqf n ASN 552 Ca 0.16 -1.90 -0.18 0.00 0.45 0.00 0.00 54.58 53.11 2pqf n ASN 552 Cb 0.68 -0.13 0.02 0.00 1.23 0.00 0.00 39.78 41.57 2pqf n ASN 552 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2pqf n GLY 553 N 1.37 -0.34 1.99 8.20 0.00 -1.26 -3.05 105.19 112.09 2pqf n GLY 553 Ca 0.17 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 0.63 3.81 -0.02 0.00 -1.26 -5.05 105.19 102.03 2pqf n GLY 554 Ca -0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.10 4.31 0.26 1.61 1.02 -1.17 -5.05 119.74 120.61 2pqf s LYS 555 Ca 0.00 0.91 -0.30 0.00 0.02 0.00 0.00 55.97 56.60 2pqf s LYS 555 Cb 0.00 -2.98 -0.14 0.00 -0.52 0.00 0.00 37.83 34.19 2pqf s LYS 555 CO 0.00 0.45 1.27 0.00 -0.92 0.00 0.00 175.35 176.15 2pqf n ALA 556 N 0.97 0.60 -2.52 5.17 0.00 -1.26 -4.84 120.51 118.63 2pqf n ALA 556 Ca -0.04 0.41 -0.42 0.00 0.00 0.00 0.00 53.44 53.39 2pqf n ALA 556 Cb 0.51 -2.18 -0.03 0.00 0.00 0.00 0.00 19.45 17.75 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 -0.47 4.39 -0.10 0.00 0.11 -1.26 -4.99 120.40 118.09 2pqf s VAL 557 Ca 0.65 1.70 -0.29 0.00 -2.93 0.00 0.00 61.98 61.10 2pqf s VAL 557 Cb -0.68 -4.09 -0.06 0.00 -1.53 0.00 0.00 36.38 30.02 2pqf s VAL 557 CO 0.54 0.01 1.93 -0.62 -3.33 0.00 0.00 175.10 173.63 2pqf s ASP 558 N 1.36 6.18 -0.08 3.54 -1.08 -1.26 -4.89 116.67 120.43 2pqf s ASP 558 Ca 0.54 2.18 -0.01 0.00 -0.52 0.00 0.00 52.55 54.75 2pqf s ASP 558 Cb -0.23 -2.53 0.03 0.00 -1.46 0.00 0.00 42.92 38.73 2pqf s ASP 558 CO 0.21 -1.34 -0.03 -0.70 0.52 0.00 0.00 175.17 173.83 2pqf s GLU 559 N 5.00 0.97 0.18 4.34 2.12 -1.26 -1.21 118.70 128.83 2pqf s GLU 559 Ca 0.87 -0.05 0.06 0.00 0.36 0.00 0.00 54.97 56.21 2pqf s GLU 559 Cb -0.35 -1.17 -0.05 0.00 0.26 0.00 0.00 34.13 32.82 2pqf s GLU 559 CO 0.36 -0.26 -0.11 1.03 -0.54 0.00 0.00 175.26 175.74 2pqf s ARG 560 N 1.74 1.19 -0.39 4.30 0.52 -0.05 -4.96 118.95 121.30 2pqf s ARG 560 Ca 0.03 -1.52 -0.12 0.00 -0.52 0.00 0.00 55.73 53.59 2pqf s ARG 560 Cb -0.13 -0.83 0.03 0.00 0.52 0.00 0.00 34.95 34.54 2pqf s ARG 560 CO -0.05 0.11 0.24 -0.65 0.02 0.00 0.00 175.30 174.96 2pqf s GLN 561 N -3.71 2.86 0.14 3.54 -0.21 -1.26 -0.81 119.66 120.22 2pqf s GLN 561 Ca 0.20 -1.07 0.08 0.00 0.02 0.00 0.00 55.36 54.59 2pqf s GLN 561 Cb 0.01 -3.82 -0.04 0.00 1.00 0.00 0.00 33.01 30.17 2pqf s GLN 561 CO 0.04 -0.72 -0.19 -0.51 -2.12 0.00 0.00 175.29 171.79 2pqf s LEU 562 N 1.59 2.40 0.10 2.90 1.43 -0.60 -4.85 118.68 121.65 2pqf s LEU 562 Ca 0.03 -0.81 -0.11 0.00 -1.03 0.00 0.00 54.13 52.21 2pqf s LEU 562 Cb -0.19 -0.82 -0.06 0.00 0.03 0.00 0.00 46.19 45.15 2pqf s LEU 562 CO 0.08 -0.02 0.44 -0.36 0.23 0.00 0.00 176.35 176.72 2pqf s PHE 563 N -1.81 3.58 -0.18 0.29 0.08 0.39 -0.61 117.98 119.72 2pqf s PHE 563 Ca 0.13 0.84 -0.04 0.00 0.12 0.00 0.00 56.93 57.98 2pqf s PHE 563 Cb -0.07 -2.20 0.06 0.00 -0.57 0.00 0.00 43.02 40.24 2pqf s PHE 563 CO 0.06 0.49 0.07 -1.58 -0.10 0.00 0.00 175.22 174.16 2pqf s HIS 564 N -1.43 0.52 0.01 0.36 5.65 -0.05 -1.08 115.29 119.26 2pqf s HIS 564 Ca 0.35 -0.54 -0.28 0.00 0.25 0.00 0.00 55.06 54.84 2pqf s HIS 564 Cb -0.14 -0.83 -0.04 0.00 -1.18 0.00 0.00 32.58 30.39 2pqf s HIS 564 CO 0.19 -0.56 0.89 0.20 -0.65 0.00 0.00 174.74 174.81 2pqf s GLY 565 N 2.03 2.85 0.23 1.59 0.00 -1.26 -0.38 107.32 112.38 2pqf s GLY 565 Ca 0.01 0.43 -0.03 0.00 0.00 0.00 0.00 44.72 45.13 2pqf s GLY 565 CO -0.09 1.48 0.23 -1.08 0.00 0.00 0.00 173.10 173.64 2pqf s THR 566 N 0.71 0.00 0.25 0.90 -1.32 -1.21 -4.29 115.64 110.68 2pqf s THR 566 Ca 0.47 -1.87 -0.14 0.00 -1.21 0.00 0.00 61.69 58.94 2pqf s THR 566 Cb -0.21 -2.45 -0.08 0.00 -1.51 0.00 0.00 72.50 68.25 2pqf s THR 566 CO 0.26 0.00 0.65 -0.94 -2.21 0.00 0.00 174.62 172.38 2pqf s SER 567 N -3.16 6.80 0.59 8.08 1.04 -1.26 -3.90 113.70 121.89 2pqf s SER 567 Ca 0.36 1.18 0.29 0.00 0.48 0.00 0.00 55.95 58.25 2pqf s SER 567 Cb 0.05 -2.33 1.57 0.00 0.10 0.00 0.00 66.02 65.40 2pqf s SER 567 CO 0.13 -0.07 2.00 0.00 0.98 0.00 0.00 173.24 176.28 2pqf h ALA 568 N 2.77 1.98 0.00 5.32 0.00 -1.89 -1.60 119.26 125.84 2pqf h ALA 568 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2pqf h ALA 568 Cb 1.18 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2pqf h ALA 568 CO 0.66 -0.49 0.00 -0.84 0.00 0.00 0.00 179.25 178.58 2pqf h ILE 569 N 0.00 0.00 -0.00 0.00 3.07 -1.95 -3.02 117.51 115.61 2pqf h ILE 569 Ca 0.15 -0.35 0.00 0.00 1.55 0.00 0.00 64.86 66.21 2pqf h ILE 569 Cb 0.81 1.26 0.00 0.00 -0.27 0.00 0.00 36.82 38.62 2pqf h ILE 569 CO -0.00 0.00 -0.49 0.49 -1.05 0.00 0.00 178.15 177.10 2pqf n PHE 570 N -2.85 0.00 -0.11 0.16 3.72 -0.60 -4.52 117.46 113.26 2pqf n PHE 570 Ca 0.00 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.35 2pqf n PHE 570 Cb 0.24 -0.21 0.02 0.00 -0.94 0.00 0.00 39.48 38.59 2pqf n PHE 570 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 2pqf h VAL 571 N 0.21 0.76 -0.01 -4.37 2.07 -1.67 -0.67 116.25 112.57 2pqf h VAL 571 Ca 0.00 -0.05 -0.22 0.00 0.82 0.00 0.00 66.70 67.25 2pqf h VAL 571 Cb 0.50 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 2pqf h VAL 571 CO 0.00 0.03 -0.92 0.44 0.02 0.00 0.00 177.57 177.13 2pqf h ASP 572 N 0.14 0.50 -0.26 0.57 5.19 -1.83 -1.09 116.42 119.65 2pqf h ASP 572 Ca 0.18 -0.40 0.03 0.00 -0.62 0.00 0.00 57.03 56.22 2pqf h ASP 572 Cb 0.23 -0.15 -0.03 0.00 0.18 0.00 0.00 39.33 39.56 2pqf h ASP 572 CO -0.27 1.19 0.07 0.00 -3.12 0.00 0.00 179.24 177.12 2pqf h ALA 573 N 0.77 0.28 -0.26 3.45 0.00 -1.76 -1.44 119.26 120.30 2pqf h ALA 573 Ca -0.07 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2pqf h ALA 573 Cb 1.55 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 2pqf h ALA 573 CO 0.16 -0.34 0.04 0.82 0.00 0.00 0.00 179.25 179.93 2pqf h ILE 574 N 0.18 1.23 -0.43 0.00 2.04 -0.99 -0.46 117.51 119.08 2pqf h ILE 574 Ca 0.12 -0.78 0.09 0.00 1.00 0.00 0.00 64.86 65.28 2pqf h ILE 574 Cb 0.10 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 2pqf h ILE 574 CO -0.13 0.25 0.30 0.00 0.00 0.00 0.00 178.15 178.56 2pqf h GLN 576 N 0.18 0.16 0.00 0.00 4.15 -1.00 -3.43 115.11 115.17 2pqf h GLN 576 Ca 0.20 -0.27 0.00 0.00 0.77 0.00 0.00 58.65 59.35 2pqf h GLN 576 Cb 0.55 0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.34 2pqf h GLN 576 CO -0.03 1.13 0.00 0.00 -1.93 0.00 0.00 178.83 178.00 2pqf n GLN 577 N -4.03 1.88 -0.34 1.69 10.64 -0.20 -4.93 117.38 122.09 2pqf n GLN 577 Ca -0.28 -1.14 0.04 0.00 -1.83 0.00 0.00 57.00 53.79 2pqf n GLN 577 Cb 0.84 -0.87 -0.02 0.00 -0.86 0.00 0.00 30.24 29.34 2pqf n GLN 577 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 2pqf n ASN 578 N -0.33 -2.04 -4.77 2.61 2.85 0.20 -4.88 115.26 108.91 2pqf n ASN 578 Ca 0.00 0.24 -0.40 0.00 -0.11 0.00 0.00 54.58 54.31 2pqf n ASN 578 Cb 0.29 -1.10 -0.02 0.00 1.24 0.00 0.00 39.78 40.20 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 -2.29 2.97 -0.13 1.20 0.40 -1.26 -4.42 117.98 114.46 2pqf s PHE 579 Ca 0.00 1.42 -0.03 0.00 -0.60 0.00 0.00 56.93 57.72 2pqf s PHE 579 Cb 0.00 -3.67 0.05 0.00 0.51 0.00 0.00 43.02 39.91 2pqf s PHE 579 CO 0.00 -1.91 0.06 0.34 0.70 0.00 0.00 175.22 174.40 2pqf s ASP 580 N -0.59 2.04 0.02 1.36 2.15 -1.26 -4.94 116.67 115.45 2pqf s ASP 580 Ca 0.52 -0.40 0.14 0.00 0.43 0.00 0.00 52.55 53.24 2pqf s ASP 580 Cb -0.39 -0.32 0.60 0.00 -0.30 0.00 0.00 42.92 42.51 2pqf s ASP 580 CO 0.51 -0.29 1.45 -2.67 -0.17 0.00 0.00 175.17 174.00 2pqf n TRP 581 N 5.21 0.07 1.26 -5.34 4.27 -1.26 -3.21 117.44 118.45 2pqf n TRP 581 Ca -0.06 0.03 0.13 0.00 -3.89 0.00 0.00 57.50 53.70 2pqf n TRP 581 Cb 0.49 -0.55 0.36 0.00 -1.36 0.00 0.00 31.31 30.25 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 -1.56 1.93 0.26 -2.67 1.74 -1.26 -1.77 116.66 113.33 2pqf n ARG 582 Ca 0.03 -1.36 -0.16 0.00 -0.77 0.00 0.00 57.85 55.60 2pqf n ARG 582 Cb 0.16 -1.47 -0.08 0.00 -1.02 0.00 0.00 32.46 30.05 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 3.24 0.56 0.01 1.55 2.07 -2.01 -3.32 116.25 118.34 2pqf h VAL 583 Ca 0.00 -0.04 -0.37 0.00 0.82 0.00 0.00 66.70 67.12 2pqf h VAL 583 Cb 0.69 0.58 -0.07 0.00 -1.52 0.00 0.00 31.29 30.97 2pqf h VAL 583 CO 0.00 0.01 -2.33 0.00 0.02 0.00 0.00 177.57 175.27 2pqf n GLY 585 N 1.89 -1.21 0.32 0.00 0.00 -0.73 -5.19 105.19 100.27 2pqf n GLY 585 Ca -0.35 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 43.80 2pqf n GLY 585 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2pqf n VAL 586 N 0.00 0.00 0.00 1.61 0.31 -1.26 -4.85 118.33 114.14 2pqf n VAL 586 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2pqf n VAL 586 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2pqf n VAL 586 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2pqf n SER 590 N -0.23 0.00 -1.08 4.52 2.88 -1.26 -5.18 113.62 113.27 2pqf n SER 590 Ca 0.00 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.62 2pqf n SER 590 Cb 0.00 0.00 0.27 0.00 -0.75 0.00 0.00 64.21 63.73 2pqf n SER 590 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 2pqf n TYR 591 N -0.29 1.08 0.00 0.66 4.01 -1.26 -2.78 117.16 118.57 2pqf n TYR 591 Ca 0.00 -0.74 0.00 0.00 -0.16 0.00 0.00 57.90 57.00 2pqf n TYR 591 Cb 0.00 -0.27 0.00 0.00 -0.31 0.00 0.00 39.34 38.76 2pqf n TYR 591 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2pqf n GLY 592 N 0.09 3.75 3.53 2.72 0.00 -0.93 -2.08 105.19 112.27 2pqf n GLY 592 Ca 0.21 -1.74 -0.43 0.00 0.00 0.00 0.00 46.02 44.06 2pqf n GLY 592 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pqf s LYS 593 N -2.83 3.96 0.25 1.61 1.02 -0.42 -4.89 119.74 118.44 2pqf s LYS 593 Ca 0.00 -2.09 -0.01 0.00 0.02 0.00 0.00 55.97 53.89 2pqf s LYS 593 Cb 0.00 -5.33 0.01 0.00 -0.52 0.00 0.00 37.83 31.99 2pqf s LYS 593 CO 0.00 -2.06 0.35 0.41 -0.92 0.00 0.00 175.35 173.13 2pqf n GLY 594 N 5.13 2.42 3.74 -3.33 0.00 -1.26 -4.85 105.19 107.03 2pqf n GLY 594 Ca 0.42 -1.56 -0.41 0.00 0.00 0.00 0.00 46.02 44.47 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 -2.58 7.54 -0.04 1.61 0.01 -0.44 -4.81 113.70 114.99 2pqf s SER 595 Ca 0.21 1.83 -0.02 0.00 1.31 0.00 0.00 55.95 59.28 2pqf s SER 595 Cb -0.01 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.59 2pqf s SER 595 CO 0.15 0.00 0.09 -0.31 0.41 0.00 0.00 173.24 173.59 2pqf s TYR 596 N -0.34 3.36 0.01 2.43 4.12 -1.26 -1.10 117.35 124.57 2pqf s TYR 596 Ca 0.45 0.29 -0.01 0.00 0.02 0.00 0.00 57.07 57.82 2pqf s TYR 596 Cb -0.24 -1.80 -0.01 0.00 -1.52 0.00 0.00 41.96 38.39 2pqf s TYR 596 CO 0.30 0.59 -0.00 -0.06 0.02 0.00 0.00 175.55 176.40 2pqf s PHE 597 N -1.14 0.18 -0.00 2.71 0.08 0.36 -4.79 117.98 115.37 2pqf s PHE 597 Ca 0.21 -0.36 0.06 0.00 0.12 0.00 0.00 56.93 56.95 2pqf s PHE 597 Cb -0.12 -0.13 -0.02 0.00 -0.57 0.00 0.00 43.02 42.18 2pqf s PHE 597 CO 0.11 -0.16 -0.18 0.00 -0.10 0.00 0.00 175.22 174.88 2pqf s ALA 598 N -1.15 1.52 0.15 5.36 0.00 -0.24 -0.97 121.76 126.43 2pqf s ALA 598 Ca -0.13 -0.82 0.03 0.00 0.00 0.00 0.00 51.96 51.04 2pqf s ALA 598 Cb -0.08 -0.36 -0.07 0.00 0.00 0.00 0.00 23.12 22.61 2pqf s ALA 598 CO -0.01 0.36 1.34 0.07 0.00 0.00 0.00 175.76 177.53 2pqf h ARG 599 N 5.53 0.15 -5.13 0.00 0.11 -1.70 1.12 114.38 114.47 2pqf h ARG 599 Ca -0.38 -0.19 -0.63 0.00 0.10 0.00 0.00 59.98 58.88 2pqf h ARG 599 Cb 1.15 0.06 -0.15 0.00 1.11 0.00 0.00 29.97 32.14 2pqf h ARG 599 CO 0.47 0.98 -0.28 -0.51 0.10 0.00 0.00 179.97 180.73 2pqf s ASP 600 N -6.91 6.22 0.46 0.08 1.01 -1.26 -4.69 116.67 111.59 2pqf s ASP 600 Ca -0.02 0.25 0.28 0.00 0.71 0.00 0.00 52.55 53.77 2pqf s ASP 600 Cb 0.10 -2.19 1.35 0.00 1.01 0.00 0.00 42.92 43.18 2pqf s ASP 600 CO 0.83 -0.15 1.73 0.00 0.21 0.00 0.00 175.17 177.79 2pqf h ALA 601 N 8.15 2.71 0.00 5.23 0.00 -1.83 -1.49 119.26 132.03 2pqf h ALA 601 Ca -0.32 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 2pqf h ALA 601 Cb 1.17 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 2pqf h ALA 601 CO 0.63 -1.16 -0.27 0.00 0.00 0.00 0.00 179.25 178.45 2pqf h ALA 602 N 1.52 1.26 0.03 0.00 0.00 -1.87 -2.18 119.26 118.02 2pqf h ALA 602 Ca 0.66 -0.24 -0.24 0.00 0.00 0.00 0.00 54.91 55.09 2pqf h ALA 602 Cb 2.12 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.87 2pqf h ALA 602 CO -0.22 0.33 -1.02 -0.92 0.00 0.00 0.00 179.25 177.42 2pqf h TYR 603 N 0.00 0.63 0.00 0.00 3.20 -1.66 -3.25 116.97 115.90 2pqf h TYR 603 Ca -0.00 -0.37 -0.00 0.00 3.14 0.00 0.00 58.73 61.50 2pqf h TYR 603 Cb 0.59 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.80 2pqf h TYR 603 CO 0.00 1.21 -0.01 0.77 -1.64 0.00 0.00 178.16 178.49 2pqf h SER 604 N 0.21 0.00 -0.39 -2.11 0.02 -1.42 -3.29 113.55 106.57 2pqf h SER 604 Ca -0.10 0.00 0.08 0.00 -0.84 0.00 0.00 61.79 60.93 2pqf h SER 604 Cb 1.68 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 64.13 2pqf h SER 604 CO 0.18 0.01 -0.23 -0.74 -1.14 0.00 0.00 176.83 174.91 2pqf h HIS 605 N 0.00 -0.59 -1.18 3.45 -0.00 -1.46 -1.82 115.15 113.55 2pqf h HIS 605 Ca -0.00 0.05 0.36 0.00 -0.00 0.00 0.00 60.37 60.77 2pqf h HIS 605 Cb 0.66 0.32 -0.11 0.00 -0.00 0.00 0.00 27.41 28.28 2pqf h HIS 605 CO 0.00 -0.30 0.76 1.25 -0.00 0.00 0.00 177.93 179.64 2pqf h HIS 606 N -0.16 0.58 0.00 5.26 6.17 -1.76 0.69 115.15 125.93 2pqf h HIS 606 Ca 0.19 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.29 2pqf h HIS 606 Cb 0.46 -0.16 0.00 0.00 2.52 0.00 0.00 27.41 30.23 2pqf h HIS 606 CO -0.46 -0.09 -0.78 0.66 0.71 0.00 0.00 177.93 177.98 2pqf n TYR 607 N -4.67 0.31 -1.99 5.26 4.01 -0.74 -4.45 117.16 114.89 2pqf n TYR 607 Ca 0.32 0.09 -0.42 0.00 -0.16 0.00 0.00 57.90 57.72 2pqf n TYR 607 Cb 1.17 -0.46 0.00 0.00 -0.31 0.00 0.00 39.34 39.74 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 -1.91 4.32 -4.81 7.72 7.64 0.23 -3.42 113.62 123.40 2pqf n SER 608 Ca 0.03 -2.93 -0.35 0.00 1.01 0.00 0.00 58.87 56.64 2pqf n SER 608 Cb 0.41 -1.61 -0.07 0.00 -1.01 0.00 0.00 64.21 61.93 2pqf n SER 608 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2pqf s LYS 609 N 2.44 4.36 -0.01 1.43 -2.85 -1.25 -4.70 119.74 119.16 2pqf s LYS 609 Ca 0.45 1.18 -0.29 0.00 -1.00 0.00 0.00 55.97 56.31 2pqf s LYS 609 Cb 0.12 -2.45 0.07 0.00 -2.06 0.00 0.00 37.83 33.50 2pqf s LYS 609 CO -0.05 0.11 0.65 0.45 0.10 0.00 0.00 175.35 176.62 2pqf s SER 610 N -1.95 -0.63 0.00 0.03 0.15 -1.26 -4.46 113.70 105.59 2pqf s SER 610 Ca 0.57 0.56 0.24 0.00 0.70 0.00 0.00 55.95 58.02 2pqf s SER 610 Cb -0.13 0.55 0.73 0.00 -1.71 0.00 0.00 66.02 65.46 2pqf s SER 610 CO 0.18 -0.68 1.56 0.47 1.20 0.00 0.00 173.24 175.96 2pqf n ASP 611 N 0.65 2.05 -2.34 5.45 8.00 -1.26 -4.97 116.55 124.13 2pqf n ASP 611 Ca -0.19 -1.71 -0.08 0.00 0.71 0.00 0.00 54.79 53.52 2pqf n ASP 611 Cb 0.59 -0.07 -0.02 0.00 -0.02 0.00 0.00 41.12 41.60 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 0.58 0.00 1.36 -3.53 -2.24 -1.26 -5.04 114.28 104.16 2pqf n THR 612 Ca 0.17 -0.68 0.14 0.00 -2.27 0.00 0.00 64.05 61.41 2pqf n THR 612 Cb 0.42 0.21 0.52 0.00 -2.10 0.00 0.00 70.33 69.38 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 -0.29 0.82 -3.43 -0.78 6.02 -1.26 -4.84 117.38 113.61 2pqf n GLN 613 Ca -0.03 -0.38 -0.37 0.00 -0.01 0.00 0.00 57.00 56.21 2pqf n GLN 613 Cb 0.18 -1.49 -0.07 0.00 1.02 0.00 0.00 30.24 29.88 2pqf n GLN 613 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2pqf s THR 614 N -2.44 5.24 0.07 5.09 2.01 -1.26 -1.50 115.64 122.84 2pqf s THR 614 Ca 0.28 0.70 0.05 0.00 0.31 0.00 0.00 61.69 63.03 2pqf s THR 614 Cb 0.20 -3.71 -0.03 0.00 0.01 0.00 0.00 72.50 68.97 2pqf s THR 614 CO 0.48 0.32 -0.15 -1.00 -0.69 0.00 0.00 174.62 173.59 2pqf s HIS 615 N 0.81 1.26 0.46 4.92 3.76 0.32 -4.79 115.29 122.03 2pqf s HIS 615 Ca 0.20 -0.44 0.04 0.00 -0.15 0.00 0.00 55.06 54.71 2pqf s HIS 615 Cb -0.14 -0.71 -0.05 0.00 1.11 0.00 0.00 32.58 32.79 2pqf s HIS 615 CO 0.07 0.07 0.01 0.99 -0.85 0.00 0.00 174.74 175.03 2pqf s THR 616 N -1.21 1.64 0.02 1.30 2.01 -1.26 -0.92 115.64 117.22 2pqf s THR 616 Ca -0.01 -1.99 0.09 0.00 0.31 0.00 0.00 61.69 60.09 2pqf s THR 616 Cb -0.10 -2.63 -0.03 0.00 0.01 0.00 0.00 72.50 69.76 2pqf s THR 616 CO 0.02 0.00 -0.25 -0.36 -0.69 0.00 0.00 174.62 173.34 2pqf s PHE 618 N -2.78 2.23 -0.21 4.92 0.40 0.49 -3.34 117.98 119.69 2pqf s PHE 618 Ca 0.22 -0.41 -0.15 0.00 -0.60 0.00 0.00 56.93 56.00 2pqf s PHE 618 Cb 0.06 -1.36 -0.04 0.00 0.51 0.00 0.00 43.02 42.18 2pqf s PHE 618 CO 0.12 0.07 0.34 -1.17 0.70 0.00 0.00 175.22 175.28 2pqf s LEU 619 N -1.03 4.15 0.04 -0.37 0.20 0.02 -0.87 118.68 120.82 2pqf s LEU 619 Ca 0.11 0.43 0.09 0.00 0.69 0.00 0.00 54.13 55.45 2pqf s LEU 619 Cb -0.10 -2.42 -0.03 0.00 -0.43 0.00 0.00 46.19 43.21 2pqf s LEU 619 CO 0.01 -0.04 -0.26 0.00 -0.29 0.00 0.00 176.35 175.78 2pqf s ALA 620 N 1.22 2.29 -0.31 5.97 0.00 0.22 -0.59 121.76 130.57 2pqf s ALA 620 Ca 0.17 -1.26 -0.24 0.00 0.00 0.00 0.00 51.96 50.62 2pqf s ALA 620 Cb -0.14 -0.51 0.00 0.00 0.00 0.00 0.00 23.12 22.47 2pqf s ALA 620 CO 0.07 0.54 0.82 0.50 0.00 0.00 0.00 175.76 177.68 2pqf s ARG 621 N -1.25 3.97 -0.15 0.00 3.52 0.59 -1.56 118.95 124.08 2pqf s ARG 621 Ca 0.12 0.64 0.02 0.00 -0.13 0.00 0.00 55.73 56.37 2pqf s ARG 621 Cb -0.10 -3.73 0.02 0.00 -1.56 0.00 0.00 34.95 29.58 2pqf s ARG 621 CO 0.02 -0.70 -0.19 0.08 -0.81 0.00 0.00 175.30 173.71 2pqf s VAL 622 N 3.02 1.86 -1.15 7.11 1.01 0.01 -0.10 120.40 132.16 2pqf s VAL 622 Ca 0.34 -0.84 -0.21 0.00 0.00 0.00 0.00 61.98 61.27 2pqf s VAL 622 Cb -0.14 -1.68 0.06 0.00 0.00 0.00 0.00 36.38 34.62 2pqf s VAL 622 CO 0.13 0.51 1.59 -0.76 0.00 0.00 0.00 175.10 176.57 2pqf s LEU 623 N 1.09 3.66 0.28 3.92 1.43 0.69 -0.87 118.68 128.88 2pqf s LEU 623 Ca -0.02 -1.93 0.04 0.00 -1.03 0.00 0.00 54.13 51.19 2pqf s LEU 623 Cb -0.14 -2.57 0.42 0.00 0.03 0.00 0.00 46.19 43.92 2pqf s LEU 623 CO -0.06 -1.35 1.70 0.58 0.23 0.00 0.00 176.35 177.45 2pqf h VAL 624 N 6.21 1.28 0.00 -1.59 2.07 -1.65 -3.47 116.25 119.11 2pqf h VAL 624 Ca 0.32 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 66.45 2pqf h VAL 624 Cb 0.94 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 32.22 2pqf h VAL 624 CO 1.44 0.43 0.00 0.61 0.02 0.00 0.00 177.57 180.07 2pqf n GLY 625 N -0.27 2.78 3.82 2.17 0.00 -0.35 -3.80 105.19 109.54 2pqf n GLY 625 Ca -0.01 -0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 2pqf n GLY 625 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pqf s GLU 626 N 0.00 3.78 0.11 1.61 2.02 -1.26 -4.48 118.70 120.49 2pqf s GLU 626 Ca 0.00 -0.03 0.04 0.00 0.02 0.00 0.00 54.97 55.00 2pqf s GLU 626 Cb 0.00 -3.28 -0.04 0.00 0.10 0.00 0.00 34.13 30.92 2pqf s GLU 626 CO 0.00 0.59 -0.11 -0.59 0.02 0.00 0.00 175.26 175.17 2pqf s PHE 627 N -0.54 1.16 0.08 1.61 -0.12 -1.26 0.26 117.98 119.17 2pqf s PHE 627 Ca 0.15 -0.67 0.01 0.00 -0.05 0.00 0.00 56.93 56.37 2pqf s PHE 627 Cb -0.13 -0.62 -0.04 0.00 -0.63 0.00 0.00 43.02 41.61 2pqf s PHE 627 CO 0.04 0.04 -0.05 0.54 -0.05 0.00 0.00 175.22 175.74 2pqf s VAL 628 N -2.62 0.52 0.28 -2.49 0.11 -1.17 -4.97 120.40 110.06 2pqf s VAL 628 Ca 0.09 -1.80 -0.30 0.00 -2.93 0.00 0.00 61.98 57.03 2pqf s VAL 628 Cb -0.02 -1.51 -0.12 0.00 -1.53 0.00 0.00 36.38 33.20 2pqf s VAL 628 CO 0.00 -0.86 1.50 -1.14 -3.33 0.00 0.00 175.10 171.27 2pqf n ARG 629 N 0.17 2.40 -2.04 1.54 0.63 -1.26 -1.68 116.66 116.42 2pqf n ARG 629 Ca -0.14 0.85 -0.29 0.00 -0.92 0.00 0.00 57.85 57.36 2pqf n ARG 629 Cb 0.60 -2.57 0.15 0.00 0.45 0.00 0.00 32.46 31.10 2pqf n ARG 629 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 2pqf s GLY 630 N 0.33 1.75 -0.14 5.14 0.00 -0.37 -4.75 107.32 109.29 2pqf s GLY 630 Ca 0.65 -1.18 -0.18 0.00 0.00 0.00 0.00 44.72 44.01 2pqf s GLY 630 CO 0.51 -0.50 0.47 0.21 0.00 0.00 0.00 173.10 173.79 2pqf s ASN 631 N -4.80 -0.46 0.54 1.64 3.04 -0.88 -4.86 114.94 109.16 2pqf s ASN 631 Ca 0.70 0.78 0.23 0.00 0.04 0.00 0.00 52.86 54.61 2pqf s ASN 631 Cb -0.06 0.81 1.41 0.00 -1.54 0.00 0.00 41.25 41.88 2pqf s ASN 631 CO 0.51 -0.27 2.08 0.00 -3.04 0.00 0.00 177.10 176.38 2pqf h ALA 632 N 4.83 2.15 0.00 1.71 0.00 -1.78 -1.32 119.26 124.85 2pqf h ALA 632 Ca -0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2pqf h ALA 632 Cb 1.17 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2pqf h ALA 632 CO 0.26 -0.33 -0.10 0.66 0.00 0.00 0.00 179.25 179.75 2pqf h SER 633 N 0.00 0.00 -3.33 0.00 4.64 -1.94 -3.41 113.55 109.51 2pqf h SER 633 Ca 0.12 -0.03 -0.52 0.00 -0.47 0.00 0.00 61.79 60.89 2pqf h SER 633 Cb 0.51 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.64 2pqf h SER 633 CO -0.00 0.01 0.70 -0.36 -0.87 0.00 0.00 176.83 176.31 2pqf s PHE 634 N -3.12 3.18 -0.47 4.77 2.99 -0.54 -4.91 117.98 119.88 2pqf s PHE 634 Ca 0.10 1.12 0.14 0.00 0.00 0.00 0.00 56.93 58.28 2pqf s PHE 634 Cb 0.12 -3.68 -0.17 0.00 0.00 0.00 0.00 43.02 39.29 2pqf s PHE 634 CO 0.62 -2.21 0.50 0.28 -0.00 0.00 0.00 175.22 174.42 2pqf n VAL 635 N 2.72 0.00 -3.67 -0.44 0.31 -1.26 -1.30 118.33 114.70 2pqf n VAL 635 Ca 0.07 -0.22 -0.09 0.00 -0.01 0.00 0.00 64.34 64.09 2pqf n VAL 635 Cb 0.42 0.78 -0.02 0.00 -0.91 0.00 0.00 33.84 34.11 2pqf n VAL 635 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2pqf s ARG 636 N -2.46 1.51 0.49 5.55 1.70 -1.26 -4.88 118.95 119.59 2pqf s ARG 636 Ca 0.02 -0.74 -0.22 0.00 -0.47 0.00 0.00 55.73 54.32 2pqf s ARG 636 Cb 0.10 0.58 -0.07 0.00 -0.57 0.00 0.00 34.95 34.99 2pqf s ARG 636 CO 0.56 -0.68 1.20 -2.14 -1.08 0.00 0.00 175.30 173.16 2pqf s PRO 637 N -3.77 3.59 1.06 3.89 0.02 -1.26 -5.01 135.00 133.51 2pqf s PRO 637 Ca 0.07 1.85 -0.15 0.00 0.02 0.00 0.00 61.00 62.79 2pqf s PRO 637 Cb -0.04 -2.33 0.22 0.00 0.02 0.00 0.00 34.50 32.37 2pqf s PRO 637 CO -0.02 -0.72 1.11 -1.25 -0.33 0.00 0.00 177.00 175.80 2pqf s PRO 638 N -2.80 -0.08 0.44 5.54 0.04 -1.26 -4.63 135.00 132.25 2pqf s PRO 638 Ca 0.66 0.24 -0.24 0.00 0.04 0.00 0.00 61.00 61.71 2pqf s PRO 638 Cb -0.31 -1.70 -0.08 0.00 0.04 0.00 0.00 34.50 32.46 2pqf s PRO 638 CO 0.37 -3.01 1.18 0.00 0.04 0.00 0.00 177.00 175.57 2pqf s ALA 639 N -3.05 3.03 -0.47 8.56 0.00 -1.26 -2.06 121.76 126.50 2pqf s ALA 639 Ca 0.67 0.96 -0.29 0.00 0.00 0.00 0.00 51.96 53.31 2pqf s ALA 639 Cb -0.15 -3.39 0.02 0.00 0.00 0.00 0.00 23.12 19.61 2pqf s ALA 639 CO 0.56 -0.64 1.26 0.15 0.00 0.00 0.00 175.76 177.09 2pqf s LYS 640 N -2.58 3.62 -1.11 0.00 1.02 0.16 -4.79 119.74 116.06 2pqf s LYS 640 Ca 0.62 0.65 -0.22 0.00 0.02 0.00 0.00 55.97 57.04 2pqf s LYS 640 Cb -0.30 -3.97 -0.02 0.00 -0.52 0.00 0.00 37.83 33.01 2pqf s LYS 640 CO 0.37 -1.52 1.82 -1.21 -0.92 0.00 0.00 175.35 173.89 2pqf s GLU 641 N 4.75 2.99 0.00 1.68 2.02 -1.26 -4.77 118.70 124.11 2pqf s GLU 641 Ca 0.52 -1.11 0.00 0.00 0.02 0.00 0.00 54.97 54.40 2pqf s GLU 641 Cb -0.10 -5.28 0.00 0.00 0.10 0.00 0.00 34.13 28.86 2pqf s GLU 641 CO 0.31 -3.20 0.16 -1.13 0.02 0.00 0.00 175.26 171.42 2pqf n SER 644 N 12.20 0.00 -2.83 -0.19 3.41 -1.26 -5.20 113.62 119.76 2pqf n SER 644 Ca 0.43 0.16 -0.11 0.00 -0.26 0.00 0.00 58.87 59.09 2pqf n SER 644 Cb 0.47 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.47 2pqf n SER 644 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2pqf n ASN 645 N -0.18 -2.08 -4.45 4.04 5.15 -1.26 -5.14 115.26 111.35 2pqf n ASN 645 Ca 0.00 -3.36 -0.32 0.00 -0.60 0.00 0.00 54.58 50.30 2pqf n ASN 645 Cb 0.00 1.41 -0.13 0.00 -0.53 0.00 0.00 39.78 40.53 2pqf n ASN 645 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2pqf s ALA 646 N 0.09 2.57 0.24 5.20 0.00 -1.26 -5.07 121.76 123.53 2pqf s ALA 646 Ca 0.29 -1.08 0.12 0.00 0.00 0.00 0.00 51.96 51.29 2pqf s ALA 646 Cb 0.25 -0.82 -0.05 0.00 0.00 0.00 0.00 23.12 22.51 2pqf s ALA 646 CO -0.15 0.56 -0.21 -0.06 0.00 0.00 0.00 175.76 175.90 2pqf s PHE 647 N -0.79 2.30 0.82 0.00 0.40 -1.26 -0.67 117.98 118.78 2pqf s PHE 647 Ca 0.13 -0.34 -0.10 0.00 -0.60 0.00 0.00 56.93 56.01 2pqf s PHE 647 Cb -0.10 -1.05 0.09 0.00 0.51 0.00 0.00 43.02 42.46 2pqf s PHE 647 CO 0.02 0.63 1.11 0.71 0.70 0.00 0.00 175.22 178.40 2pqf s TYR 648 N -2.17 2.21 -0.26 0.36 2.02 -0.88 -4.78 117.35 113.86 2pqf s TYR 648 Ca 0.26 1.65 0.23 0.00 -0.37 0.00 0.00 57.07 58.84 2pqf s TYR 648 Cb -0.06 -3.17 -0.04 0.00 -0.40 0.00 0.00 41.96 38.29 2pqf s TYR 648 CO 0.13 -2.19 0.95 -0.25 -1.57 0.00 0.00 175.55 172.62 2pqf n ASP 649 N -3.77 0.66 -3.14 2.29 8.00 0.14 -4.65 116.55 116.08 2pqf n ASP 649 Ca 0.10 0.20 -0.08 0.00 0.71 0.00 0.00 54.79 55.73 2pqf n ASP 649 Cb 0.53 0.76 0.02 0.00 -0.02 0.00 0.00 41.12 42.40 2pqf n ASP 649 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2pqf s SER 650 N -5.00 -0.04 0.14 -2.24 1.04 -1.16 -4.75 113.70 101.69 2pqf s SER 650 Ca -0.01 -0.99 0.08 0.00 0.48 0.00 0.00 55.95 55.51 2pqf s SER 650 Cb 0.11 0.79 -0.04 0.00 0.10 0.00 0.00 66.02 66.98 2pqf s SER 650 CO 0.81 -1.54 -0.19 0.00 0.98 0.00 0.00 173.24 173.30 2pqf s VAL 652 N -1.81 0.24 0.01 0.00 -7.23 -0.68 -0.98 120.40 109.96 2pqf s VAL 652 Ca 0.12 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.15 2pqf s VAL 652 Cb -0.07 -2.51 -0.34 0.00 0.56 0.00 0.00 36.38 34.02 2pqf s VAL 652 CO 0.06 0.00 0.93 -0.55 -0.31 0.00 0.00 175.10 175.23 2pqf h ASN 653 N 2.27 0.78 -3.33 4.85 -1.07 -1.83 -0.97 115.58 116.28 2pqf h ASN 653 Ca -0.33 -0.89 -0.31 0.00 0.07 0.00 0.00 56.30 54.84 2pqf h ASN 653 Cb 1.25 -0.25 -0.35 0.00 -2.07 0.00 0.00 38.32 36.89 2pqf h ASN 653 CO 0.50 1.71 -0.68 -0.55 0.07 0.00 0.00 177.43 178.48 2pqf s SER 654 N -7.50 0.53 0.32 6.14 0.15 -1.26 -4.87 113.70 107.20 2pqf s SER 654 Ca -0.10 0.18 0.05 0.00 0.70 0.00 0.00 55.95 56.78 2pqf s SER 654 Cb 0.05 0.05 0.54 0.00 -1.71 0.00 0.00 66.02 64.94 2pqf s SER 654 CO 0.92 -0.20 1.79 0.58 1.20 0.00 0.00 173.24 177.54 2pqf h VAL 655 N 6.31 1.24 0.00 4.45 2.07 -1.93 -1.88 116.25 126.52 2pqf h VAL 655 Ca -0.27 -1.12 -0.15 0.00 0.82 0.00 0.00 66.70 65.98 2pqf h VAL 655 Cb 1.12 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 32.18 2pqf h VAL 655 CO 0.29 0.35 -0.92 0.77 0.02 0.00 0.00 177.57 178.08 2pqf h SER 656 N 0.35 0.00 -1.48 0.57 4.64 -2.00 -3.40 113.55 112.23 2pqf h SER 656 Ca 0.06 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 60.99 2pqf h SER 656 Cb 0.57 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 62.38 2pqf h SER 656 CO 0.04 0.63 -0.78 -0.67 -0.87 0.00 0.00 176.83 175.18 2pqf n ASP 657 N -3.14 -1.65 -4.72 4.97 2.03 -1.21 -5.13 116.55 107.70 2pqf n ASP 657 Ca -0.03 -2.76 -0.42 0.00 0.52 0.00 0.00 54.79 52.11 2pqf n ASP 657 Cb 0.82 0.52 -0.03 0.00 -0.72 0.00 0.00 41.12 41.71 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 0.16 4.44 -0.01 -0.67 0.04 -0.71 -4.46 135.00 133.79 2pqf s PRO 658 Ca 0.32 1.80 0.01 0.00 0.04 0.00 0.00 61.00 63.16 2pqf s PRO 658 Cb 0.09 -3.32 -0.01 0.00 0.04 0.00 0.00 34.50 31.29 2pqf s PRO 658 CO -0.15 -0.23 -0.00 0.43 0.04 0.00 0.00 177.00 177.09 2pqf n SER 659 N 3.66 4.31 -4.31 6.66 7.64 -1.26 -4.88 113.62 125.43 2pqf n SER 659 Ca 0.08 -0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.64 2pqf n SER 659 Cb 0.46 0.25 -0.16 0.00 -1.01 0.00 0.00 64.21 63.75 2pqf n SER 659 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2pqf s ILE 660 N -2.03 2.37 -0.05 0.44 1.01 -1.26 -1.91 121.20 119.77 2pqf s ILE 660 Ca -0.01 -0.95 0.03 0.00 0.00 0.00 0.00 60.65 59.73 2pqf s ILE 660 Cb 0.00 -1.90 0.00 0.00 0.01 0.00 0.00 42.46 40.58 2pqf s ILE 660 CO 0.04 0.57 -0.15 -0.36 0.00 0.00 0.00 174.94 175.03 2pqf s PHE 661 N -0.13 1.56 -0.16 3.97 0.08 -0.14 -2.60 117.98 120.57 2pqf s PHE 661 Ca -0.04 -0.50 -0.02 0.00 0.12 0.00 0.00 56.93 56.50 2pqf s PHE 661 Cb -0.14 -1.09 -0.02 0.00 -0.57 0.00 0.00 43.02 41.21 2pqf s PHE 661 CO 0.04 -0.20 -0.09 0.08 -0.10 0.00 0.00 175.22 174.95 2pqf s VAL 662 N 0.28 3.33 -0.17 -0.44 1.01 -0.16 -0.49 120.40 123.77 2pqf s VAL 662 Ca -0.08 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.36 2pqf s VAL 662 Cb -0.13 -2.44 0.01 0.00 0.00 0.00 0.00 36.38 33.82 2pqf s VAL 662 CO 0.03 0.49 -0.19 -0.63 0.00 0.00 0.00 175.10 174.81 2pqf s ILE 663 N 0.62 2.27 -0.86 2.22 -1.09 -0.26 -2.08 121.20 122.02 2pqf s ILE 663 Ca -0.05 -0.89 0.22 0.00 -2.23 0.00 0.00 60.65 57.70 2pqf s ILE 663 Cb -0.15 -1.95 -0.19 0.00 -1.58 0.00 0.00 42.46 38.59 2pqf s ILE 663 CO 0.03 0.53 0.95 0.49 -1.23 0.00 0.00 174.94 175.70 2pqf n PHE 664 N 4.37 0.03 -4.09 3.97 3.72 -1.26 -1.33 117.46 122.86 2pqf n PHE 664 Ca -0.20 0.01 -0.33 0.00 -0.05 0.00 0.00 57.45 56.88 2pqf n PHE 664 Cb 0.51 -0.14 -0.16 0.00 -0.94 0.00 0.00 39.48 38.76 2pqf n PHE 664 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 2pqf s GLU 665 N -3.07 2.71 0.38 -1.08 2.56 -1.26 -4.99 118.70 113.94 2pqf s GLU 665 Ca 0.06 -1.03 0.15 0.00 0.00 0.00 0.00 54.97 54.16 2pqf s GLU 665 Cb 0.16 -2.71 0.78 0.00 2.00 0.00 0.00 34.13 34.36 2pqf s GLU 665 CO 0.84 -0.35 1.83 1.57 -0.56 0.00 0.00 175.26 178.59 2pqf h LYS 666 N 7.88 0.00 0.00 4.30 2.10 -1.92 -1.14 116.57 127.79 2pqf h LYS 666 Ca -0.35 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.30 2pqf h LYS 666 Cb 1.10 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.43 2pqf h LYS 666 CO 0.57 0.36 0.00 0.72 -2.00 0.00 0.00 179.45 179.10 2pqf n HIS 667 N -3.96 0.72 1.99 0.07 8.25 -1.26 -1.12 115.22 119.91 2pqf n HIS 667 Ca -0.02 0.37 0.07 0.00 -0.26 0.00 0.00 57.72 57.89 2pqf n HIS 667 Cb 0.41 -1.10 0.41 0.00 1.12 0.00 0.00 29.99 30.83 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 -2.24 1.00 -4.51 -0.41 6.02 -0.43 -4.16 117.38 112.65 2pqf n GLN 668 Ca -0.01 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.76 2pqf n GLN 668 Cb 0.03 -1.21 -0.15 0.00 1.02 0.00 0.00 30.24 29.93 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 0.95 -0.17 5.09 1.01 -0.27 -0.23 120.40 124.77 2pqf s VAL 669 Ca 0.20 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.73 2pqf s VAL 669 Cb 0.09 -0.82 0.02 0.00 0.00 0.00 0.00 36.38 35.67 2pqf s VAL 669 CO 0.16 0.28 -0.19 -0.47 0.00 0.00 0.00 175.10 174.88 2pqf s TYR 670 N 0.04 2.77 -0.31 5.22 5.04 0.85 -4.88 117.35 126.08 2pqf s TYR 670 Ca -0.01 -1.53 -0.29 0.00 -2.44 0.00 0.00 57.07 52.80 2pqf s TYR 670 Cb -0.08 -1.91 -0.00 0.00 0.35 0.00 0.00 41.96 40.31 2pqf s TYR 670 CO 0.00 -0.75 1.39 -1.25 -1.34 0.00 0.00 175.55 173.60 2pqf s PRO 671 N 1.20 3.81 -0.23 4.97 0.04 -1.26 -0.30 135.00 143.24 2pqf s PRO 671 Ca 0.03 1.26 -0.09 0.00 0.04 0.00 0.00 61.00 62.24 2pqf s PRO 671 Cb -0.14 -3.94 -0.11 0.00 0.04 0.00 0.00 34.50 30.35 2pqf s PRO 671 CO -0.10 -1.25 -0.28 -1.91 0.04 0.00 0.00 177.00 173.50 2pqf n GLU 672 N 7.55 0.50 -4.19 4.56 2.13 -0.55 -4.64 120.64 126.00 2pqf n GLU 672 Ca 0.16 0.20 -0.16 0.00 0.66 0.00 0.00 57.16 58.01 2pqf n GLU 672 Cb 0.47 -1.35 -0.13 0.00 0.27 0.00 0.00 31.44 30.70 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 -2.43 0.78 -0.33 4.31 2.02 0.24 -1.48 117.35 120.47 2pqf s TYR 673 Ca -0.32 -0.32 -0.10 0.00 -0.37 0.00 0.00 57.07 55.96 2pqf s TYR 673 Cb 0.11 -0.48 0.00 0.00 -0.40 0.00 0.00 41.96 41.20 2pqf s TYR 673 CO 0.43 -0.02 0.17 0.08 -1.57 0.00 0.00 175.55 174.63 2pqf s VAL 674 N -0.81 4.57 -0.31 0.71 1.01 -0.20 -0.80 120.40 124.57 2pqf s VAL 674 Ca -0.03 -0.57 -0.12 0.00 0.00 0.00 0.00 61.98 61.27 2pqf s VAL 674 Cb -0.07 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 2pqf s VAL 674 CO 0.00 -0.03 0.22 -0.63 0.00 0.00 0.00 175.10 174.66 2pqf s ILE 675 N 1.59 5.30 -0.23 2.22 1.01 -1.26 -1.04 121.20 128.78 2pqf s ILE 675 Ca 0.04 0.01 -0.08 0.00 0.00 0.00 0.00 60.65 60.61 2pqf s ILE 675 Cb -0.18 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 2pqf s ILE 675 CO 0.06 0.13 0.10 -1.58 0.00 0.00 0.00 174.94 173.65 2pqf s GLN 676 N 1.75 3.84 0.17 2.79 0.74 0.17 -4.28 119.66 124.84 2pqf s GLN 676 Ca 0.07 -0.39 0.00 0.00 0.05 0.00 0.00 55.36 55.09 2pqf s GLN 676 Cb -0.17 -3.37 -0.04 0.00 1.10 0.00 0.00 33.01 30.53 2pqf s GLN 676 CO 0.11 -0.03 0.05 1.52 -0.55 0.00 0.00 175.29 176.39 2pqf s TYR 677 N 1.23 1.09 -0.02 1.67 -0.85 -0.10 0.35 117.35 120.72 2pqf s TYR 677 Ca 0.05 -1.16 0.06 0.00 -0.52 0.00 0.00 57.07 55.50 2pqf s TYR 677 Cb -0.14 -0.61 -0.01 0.00 0.38 0.00 0.00 41.96 41.57 2pqf s TYR 677 CO 0.04 -0.40 -0.20 -0.08 -1.52 0.00 0.00 175.55 173.39 2pqf s THR 678 N -3.88 1.63 -1.98 -3.49 -1.32 0.17 -0.52 115.64 106.25 2pqf s THR 678 Ca 0.27 -0.87 0.29 0.00 -1.21 0.00 0.00 61.69 60.17 2pqf s THR 678 Cb 0.07 -1.36 0.82 0.00 -1.51 0.00 0.00 72.50 70.52 2pqf s THR 678 CO 0.05 0.46 2.08 0.35 -2.21 0.00 0.00 174.62 175.35 2pqf n THR 679 N 2.65 0.00 0.96 5.08 -2.24 -0.56 -1.85 114.28 118.32 2pqf n THR 679 Ca -0.16 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.74 2pqf n THR 679 Cb 0.53 -0.54 0.10 0.00 -2.10 0.00 0.00 70.33 68.31 2pqf n THR 679 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96