#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g1l s THR 498 N 0.00 3.24 0.31 2.46 2.01 -1.26 -4.94 115.64 117.45 2g1l s THR 498 Ca 0.00 0.88 -0.29 0.00 0.31 0.00 0.00 61.69 62.59 2g1l s THR 498 Cb 0.00 -3.42 -0.10 0.00 0.01 0.00 0.00 72.50 69.00 2g1l s THR 498 CO 0.00 -0.06 1.16 -2.84 -0.69 0.00 0.00 174.62 172.18 2g1l s PRO 499 N -2.87 4.51 0.03 4.92 0.02 -1.26 -4.78 135.00 135.57 2g1l s PRO 499 Ca 0.66 1.90 0.05 0.00 0.02 0.00 0.00 61.00 63.63 2g1l s PRO 499 Cb -0.26 -3.10 -0.03 0.00 0.02 0.00 0.00 34.50 31.13 2g1l s PRO 499 CO 0.31 0.06 -0.13 -1.01 -0.33 0.00 0.00 177.00 175.90 2g1l s HIS 500 N -1.19 2.70 -0.26 6.54 3.76 0.19 -0.35 115.29 126.67 2g1l s HIS 500 Ca 0.47 -0.16 -0.05 0.00 -0.15 0.00 0.00 55.06 55.17 2g1l s HIS 500 Cb -0.33 -1.52 0.01 0.00 1.11 0.00 0.00 32.58 31.84 2g1l s HIS 500 CO 0.43 0.30 0.02 -1.17 -0.85 0.00 0.00 174.74 173.47 2g1l s LEU 501 N -1.44 3.46 -0.10 0.89 2.96 0.75 -0.78 118.68 124.42 2g1l s LEU 501 Ca 0.16 -0.66 0.01 0.00 -0.22 0.00 0.00 54.13 53.42 2g1l s LEU 501 Cb -0.11 -1.80 -0.02 0.00 0.50 0.00 0.00 46.19 44.76 2g1l s LEU 501 CO 0.06 -0.13 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.17 2g1l s VAL 502 N 1.46 3.31 -0.30 1.68 1.01 0.08 -1.42 120.40 126.22 2g1l s VAL 502 Ca 0.03 -0.60 -0.25 0.00 0.00 0.00 0.00 61.98 61.16 2g1l s VAL 502 Cb -0.16 -2.37 0.00 0.00 0.00 0.00 0.00 36.38 33.85 2g1l s VAL 502 CO -0.00 0.55 0.87 0.21 0.00 0.00 0.00 175.10 176.73 2g1l s ASN 503 N -0.17 6.77 0.00 3.32 3.84 0.01 -0.72 114.94 127.99 2g1l s ASN 503 Ca 0.01 0.83 0.26 0.00 0.21 0.00 0.00 52.86 54.16 2g1l s ASN 503 Cb -0.13 -2.45 0.65 0.00 -0.55 0.00 0.00 41.25 38.77 2g1l s ASN 503 CO 0.03 -0.67 1.50 0.18 -2.79 0.00 0.00 177.10 175.35 2g1l n LEU 504 N 6.35 1.54 -4.73 3.21 4.77 0.11 -4.94 117.00 123.31 2g1l n LEU 504 Ca 0.06 -0.49 -0.42 0.00 -0.03 0.00 0.00 56.01 55.13 2g1l n LEU 504 Cb 0.48 -0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 41.49 2g1l n LEU 504 CO 0.52 0.27 1.32 0.20 -1.33 0.00 0.00 177.39 178.37 2g1l s ASN 505 N -2.30 6.36 0.17 -1.43 0.02 -1.24 -4.91 114.94 111.61 2g1l s ASN 505 Ca 0.28 2.92 -0.08 0.00 -1.02 0.00 0.00 52.86 54.95 2g1l s ASN 505 Cb 0.20 -2.62 0.04 0.00 0.02 0.00 0.00 41.25 38.89 2g1l s ASN 505 CO 0.45 -0.95 1.53 -0.33 0.02 0.00 0.00 177.10 177.82 2g1l h GLU 506 N 5.86 0.89 -2.98 -0.60 4.39 -1.97 -3.34 114.58 116.83 2g1l h GLU 506 Ca -0.45 -0.42 -0.62 0.00 0.34 0.00 0.00 59.36 58.21 2g1l h GLU 506 Cb 1.21 -0.01 -0.41 0.00 -0.10 0.00 0.00 28.75 29.44 2g1l h GLU 506 CO 0.88 1.07 -0.65 -0.51 -1.16 0.00 0.00 179.01 178.65 2g1l s ASP 507 N -6.80 4.20 0.34 1.42 1.11 -1.26 -5.10 116.67 110.58 2g1l s ASP 507 Ca -0.10 -3.64 -0.26 0.00 0.18 0.00 0.00 52.55 48.73 2g1l s ASP 507 Cb 0.12 -1.42 -0.09 0.00 1.07 0.00 0.00 42.92 42.60 2g1l s ASP 507 CO 0.87 -0.11 1.02 -2.16 1.18 0.00 0.00 175.17 175.96 2g1l s PRO 508 N -1.08 4.46 0.91 8.23 0.04 -1.26 -5.03 135.00 141.27 2g1l s PRO 508 Ca 0.25 1.52 -0.11 0.00 0.04 0.00 0.00 61.00 62.71 2g1l s PRO 508 Cb -0.05 -2.83 0.14 0.00 0.04 0.00 0.00 34.50 31.79 2g1l s PRO 508 CO -0.16 0.12 1.11 -0.51 0.04 0.00 0.00 177.00 177.61 2g1l s LEU 509 N -2.06 2.57 0.25 -3.56 1.43 -1.26 -4.89 118.68 111.15 2g1l s LEU 509 Ca 0.51 1.92 -0.05 0.00 -1.03 0.00 0.00 54.13 55.47 2g1l s LEU 509 Cb -0.24 -4.33 0.30 0.00 0.03 0.00 0.00 46.19 41.95 2g1l s LEU 509 CO 0.30 -2.90 1.90 -0.03 0.23 0.00 0.00 176.35 175.85 2g1l h MET 510 N -1.73 1.18 0.00 1.70 -1.53 -2.05 -1.51 114.93 111.00 2g1l h MET 510 Ca -0.46 -0.07 -0.05 0.00 -3.44 0.00 0.00 59.70 55.68 2g1l h MET 510 Cb 1.27 -0.27 -0.01 0.00 -0.55 0.00 0.00 31.60 32.04 2g1l h MET 510 CO 0.47 0.78 -0.23 0.66 0.14 0.00 0.00 176.91 178.73 2g1l h SER 511 N 1.22 0.00 -3.94 1.39 4.64 -2.04 -3.46 113.55 111.35 2g1l h SER 511 Ca 0.38 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 61.20 2g1l h SER 511 Cb -0.02 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.11 2g1l h SER 511 CO -0.12 0.23 0.47 -0.70 -0.87 0.00 0.00 176.83 175.85 2g1l s GLU 512 N -3.86 4.10 -0.19 4.77 2.12 -0.57 -5.01 118.70 120.06 2g1l s GLU 512 Ca -0.01 1.73 -0.09 0.00 0.36 0.00 0.00 54.97 56.96 2g1l s GLU 512 Cb 0.12 -2.64 -0.05 0.00 0.26 0.00 0.00 34.13 31.82 2g1l s GLU 512 CO 0.64 -0.25 0.10 0.00 -0.54 0.00 0.00 175.26 175.21 2g1l h LEU 514 N 6.62 0.00 -7.00 0.00 3.38 -1.94 -3.43 115.31 112.93 2g1l h LEU 514 Ca -0.40 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.59 2g1l h LEU 514 Cb 1.16 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.69 2g1l h LEU 514 CO 0.73 0.44 0.08 -0.22 0.09 0.00 0.00 178.44 179.55 2g1l s LEU 515 N -5.78 -0.87 -0.02 1.67 0.20 -1.26 -0.81 118.68 111.81 2g1l s LEU 515 Ca -0.01 1.44 0.06 0.00 0.69 0.00 0.00 54.13 56.30 2g1l s LEU 515 Cb 0.09 2.34 -0.01 0.00 -0.43 0.00 0.00 46.19 48.17 2g1l s LEU 515 CO 0.80 -0.23 -0.19 -0.31 -0.29 0.00 0.00 176.35 176.12 2g1l s TYR 516 N 1.38 1.74 0.02 5.38 2.02 -0.50 -5.00 117.35 122.39 2g1l s TYR 516 Ca -0.08 -0.33 -0.24 0.00 -0.37 0.00 0.00 57.07 56.04 2g1l s TYR 516 Cb -0.05 -1.12 -0.05 0.00 -0.40 0.00 0.00 41.96 40.34 2g1l s TYR 516 CO -0.16 -0.03 0.74 -1.01 -1.57 0.00 0.00 175.55 173.52 2g1l s HIS 517 N -0.44 3.71 -0.44 2.71 3.76 -1.26 -0.18 115.29 123.14 2g1l s HIS 517 Ca 0.07 1.42 -0.21 0.00 -0.15 0.00 0.00 55.06 56.19 2g1l s HIS 517 Cb -0.08 -2.80 0.03 0.00 1.11 0.00 0.00 32.58 30.84 2g1l s HIS 517 CO -0.01 0.25 0.67 0.42 -0.85 0.00 0.00 174.74 175.22 2g1l s ILE 518 N 0.08 4.79 0.54 0.60 1.01 0.53 -4.93 121.20 123.83 2g1l s ILE 518 Ca 0.38 0.14 -0.06 0.00 0.00 0.00 0.00 60.65 61.10 2g1l s ILE 518 Cb -0.20 -4.23 -0.02 0.00 0.01 0.00 0.00 42.46 38.02 2g1l s ILE 518 CO 0.22 -0.63 0.86 -0.54 0.00 0.00 0.00 174.94 174.85 2g1l s LYS 519 N 2.91 3.34 0.27 2.79 1.02 -1.26 -4.27 119.74 124.53 2g1l s LYS 519 Ca 0.24 0.22 -0.29 0.00 0.02 0.00 0.00 55.97 56.16 2g1l s LYS 519 Cb -0.14 -2.29 -0.14 0.00 -0.52 0.00 0.00 37.83 34.73 2g1l s LYS 519 CO 0.19 -0.43 1.00 -3.47 -0.92 0.00 0.00 175.35 171.72 2g1l n ASP 520 N -2.45 1.15 0.00 2.83 2.03 -1.26 -4.43 116.55 114.43 2g1l n ASP 520 Ca 0.03 1.17 0.00 0.00 0.52 0.00 0.00 54.79 56.51 2g1l n ASP 520 Cb 0.56 -1.26 0.00 0.00 -0.72 0.00 0.00 41.12 39.70 2g1l n ASP 520 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2g1l n GLY 521 N 1.39 -1.35 3.60 0.27 0.00 -0.28 -4.87 105.19 103.95 2g1l n GLY 521 Ca 0.11 -1.90 -0.38 0.00 0.00 0.00 0.00 46.02 43.85 2g1l n GLY 521 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2g1l s VAL 522 N 0.00 5.31 -0.35 1.61 1.01 -1.26 -0.65 120.40 126.07 2g1l s VAL 522 Ca 0.00 0.19 -0.11 0.00 0.00 0.00 0.00 61.98 62.06 2g1l s VAL 522 Cb 0.00 -3.53 0.01 0.00 0.00 0.00 0.00 36.38 32.86 2g1l s VAL 522 CO 0.00 0.26 0.20 -0.89 0.00 0.00 0.00 175.10 174.67 2g1l s THR 523 N 1.65 4.74 -0.00 3.92 2.01 0.13 -4.97 115.64 123.12 2g1l s THR 523 Ca 0.07 -0.58 -0.23 0.00 0.31 0.00 0.00 61.69 61.26 2g1l s THR 523 Cb -0.16 -3.52 -0.05 0.00 0.01 0.00 0.00 72.50 68.78 2g1l s THR 523 CO 0.10 -0.09 0.69 -0.13 -0.69 0.00 0.00 174.62 174.50 2g1l s ARG 524 N 1.61 4.42 -0.10 4.92 0.52 -1.26 -0.71 118.95 128.34 2g1l s ARG 524 Ca 0.04 0.91 0.02 0.00 -0.52 0.00 0.00 55.73 56.17 2g1l s ARG 524 Cb -0.18 -3.38 -0.01 0.00 0.52 0.00 0.00 34.95 31.90 2g1l s ARG 524 CO 0.07 0.25 -0.16 0.08 0.02 0.00 0.00 175.30 175.57 2g1l s VAL 525 N 0.12 2.84 -3.06 3.52 1.01 0.82 -0.96 120.40 124.69 2g1l s VAL 525 Ca 0.36 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.58 2g1l s VAL 525 Cb -0.19 -2.15 0.00 0.00 0.00 0.00 0.00 36.38 34.04 2g1l s VAL 525 CO 0.20 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.45 2g1l n GLY 526 N 3.24 -0.61 0.63 4.51 0.00 -0.52 0.28 105.19 112.73 2g1l n GLY 526 Ca -0.18 -0.60 -0.13 0.00 0.00 0.00 0.00 46.02 45.11 2g1l n GLY 526 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2g1l n GLN 527 N 0.00 0.25 -3.28 1.61 6.02 -0.03 -1.06 117.38 120.89 2g1l n GLN 527 Ca 0.00 0.11 -0.46 0.00 -0.01 0.00 0.00 57.00 56.64 2g1l n GLN 527 Cb 0.00 -0.92 -0.05 0.00 1.02 0.00 0.00 30.24 30.29 2g1l n GLN 527 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2g1l s VAL 528 N -2.22 5.15 -0.33 5.09 1.01 -1.14 -4.65 120.40 123.30 2g1l s VAL 528 Ca -0.17 -1.39 -0.01 0.00 0.00 0.00 0.00 61.98 60.41 2g1l s VAL 528 Cb 0.06 -4.35 -0.01 0.00 0.00 0.00 0.00 36.38 32.08 2g1l s VAL 528 CO 0.21 -0.90 0.30 0.47 0.00 0.00 0.00 175.10 175.18 2g1l n ASP 529 N 5.43 -3.92 -4.34 3.32 8.00 -1.26 -4.79 116.55 118.99 2g1l n ASP 529 Ca -0.13 -0.15 -0.17 0.00 0.71 0.00 0.00 54.79 55.05 2g1l n ASP 529 Cb 0.41 -2.41 -0.10 0.00 -0.02 0.00 0.00 41.12 38.99 2g1l n ASP 529 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2g1l s MET 530 N -3.26 1.34 0.07 -1.24 -1.94 -1.26 -5.05 119.30 107.96 2g1l s MET 530 Ca 0.09 -1.66 0.01 0.00 -1.71 0.00 0.00 55.69 52.41 2g1l s MET 530 Cb -0.01 -0.72 -0.26 0.00 2.01 0.00 0.00 34.83 35.85 2g1l s MET 530 CO 0.27 -0.04 1.11 -0.44 -0.01 0.00 0.00 175.02 175.91 2g1l h ASP 531 N 2.48 0.25 -3.14 3.03 3.32 -1.42 -3.42 116.42 117.52 2g1l h ASP 531 Ca -0.38 -0.29 -0.65 0.00 0.02 0.00 0.00 57.03 55.72 2g1l h ASP 531 Cb 1.22 -0.08 -0.35 0.00 0.22 0.00 0.00 39.33 40.34 2g1l h ASP 531 CO 0.65 1.23 -0.86 -0.63 -1.72 0.00 0.00 179.24 177.91 2g1l s ILE 532 N -2.66 1.94 -0.24 0.35 1.01 -0.53 -4.98 121.20 116.07 2g1l s ILE 532 Ca -0.03 -0.88 -0.10 0.00 0.00 0.00 0.00 60.65 59.64 2g1l s ILE 532 Cb 0.08 -1.74 -0.05 0.00 0.01 0.00 0.00 42.46 40.76 2g1l s ILE 532 CO 0.85 0.52 0.14 -0.75 0.00 0.00 0.00 174.94 175.71 2g1l s LYS 533 N 1.10 3.96 -0.02 2.79 2.20 -1.26 -1.44 119.74 127.08 2g1l s LYS 533 Ca -0.01 -0.33 0.06 0.00 -0.36 0.00 0.00 55.97 55.33 2g1l s LYS 533 Cb -0.14 -3.49 -0.01 0.00 -1.51 0.00 0.00 37.83 32.67 2g1l s LYS 533 CO -0.07 -0.01 -0.19 -0.51 -0.36 0.00 0.00 175.35 174.20 2g1l s LEU 534 N 1.24 2.01 -0.02 5.43 1.43 -0.22 -4.92 118.68 123.62 2g1l s LEU 534 Ca 0.07 -0.36 0.18 0.00 -1.03 0.00 0.00 54.13 52.99 2g1l s LEU 534 Cb -0.14 -1.00 -0.28 0.00 0.03 0.00 0.00 46.19 44.79 2g1l s LEU 534 CO 0.05 0.22 0.42 0.35 0.23 0.00 0.00 176.35 177.62 2g1l n THR 535 N 2.75 0.00 -0.85 5.49 -2.24 -1.26 -4.33 114.28 113.83 2g1l n THR 535 Ca -0.16 -0.40 -0.27 0.00 -2.27 0.00 0.00 64.05 60.95 2g1l n THR 535 Cb 0.53 0.13 0.01 0.00 -2.10 0.00 0.00 70.33 68.90 2g1l n THR 535 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2g1l n GLY 536 N 1.46 -2.27 0.31 3.38 0.00 -1.26 -4.81 105.19 101.99 2g1l n GLY 536 Ca -0.03 -0.15 0.13 0.00 0.00 0.00 0.00 46.02 45.98 2g1l n GLY 536 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2g1l h GLN 537 N -0.04 0.00 -0.26 1.61 4.15 -2.00 -2.21 115.11 116.37 2g1l h GLN 537 Ca -0.28 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.14 2g1l h GLN 537 Cb 1.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.69 2g1l h GLN 537 CO 0.28 0.00 0.00 1.19 -1.93 0.00 0.00 178.83 178.37 2g1l n PHE 538 N -4.45 0.32 -2.73 3.99 3.01 -1.26 -4.87 117.46 111.47 2g1l n PHE 538 Ca 0.02 -0.16 -0.43 0.00 1.01 0.00 0.00 57.45 57.90 2g1l n PHE 538 Cb 0.31 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.75 2g1l n PHE 538 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 2g1l s ILE 539 N -1.68 4.69 0.92 4.37 -1.09 -0.83 -4.53 121.20 123.04 2g1l s ILE 539 Ca 0.35 1.82 -0.13 0.00 -2.23 0.00 0.00 60.65 60.47 2g1l s ILE 539 Cb 0.22 -4.27 0.14 0.00 -1.58 0.00 0.00 42.46 36.97 2g1l s ILE 539 CO 0.31 -0.21 1.15 -0.13 -1.23 0.00 0.00 174.94 174.83 2g1l s ARG 540 N 3.18 1.07 0.09 2.79 1.81 -1.26 -4.81 118.95 121.81 2g1l s ARG 540 Ca 0.41 0.21 -0.21 0.00 -1.72 0.00 0.00 55.73 54.43 2g1l s ARG 540 Cb -0.15 -1.84 -0.10 0.00 -0.45 0.00 0.00 34.95 32.41 2g1l s ARG 540 CO 0.08 -2.23 1.63 0.93 -0.68 0.00 0.00 175.30 175.03 2g1l h GLU 541 N -1.52 0.24 -4.17 3.54 5.08 -1.94 -3.00 114.58 112.81 2g1l h GLU 541 Ca -0.49 -0.04 -0.72 0.00 -1.00 0.00 0.00 59.36 57.10 2g1l h GLU 541 Cb 1.32 -0.04 -0.31 0.00 0.50 0.00 0.00 28.75 30.23 2g1l h GLU 541 CO 0.59 0.32 -0.37 -0.65 -1.00 0.00 0.00 179.01 177.90 2g1l s GLN 542 N -5.56 2.51 -0.11 2.33 1.11 -1.26 -0.85 119.66 117.83 2g1l s GLN 542 Ca -0.14 -1.97 -0.13 0.00 0.01 0.00 0.00 55.36 53.13 2g1l s GLN 542 Cb 0.07 -3.88 -0.12 0.00 -1.01 0.00 0.00 33.01 28.07 2g1l s GLN 542 CO 0.70 -1.18 0.39 1.25 0.01 0.00 0.00 175.29 176.46 2g1l h HIS 543 N 8.09 -0.03 -2.72 0.91 2.76 -0.22 -3.43 115.15 120.52 2g1l h HIS 543 Ca -0.14 -0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.12 2g1l h HIS 543 Cb 1.05 0.01 -0.03 0.00 1.55 0.00 0.00 27.41 29.99 2g1l h HIS 543 CO 0.67 0.40 0.43 0.00 -1.30 0.00 0.00 177.93 178.12 2g1l s LEU 545 N -3.18 1.84 -0.03 0.00 0.05 -0.48 -0.12 118.68 116.76 2g1l s LEU 545 Ca 0.17 -0.25 -0.14 0.00 0.05 0.00 0.00 54.13 53.97 2g1l s LEU 545 Cb -0.04 0.37 -0.05 0.00 -2.05 0.00 0.00 46.19 44.43 2g1l s LEU 545 CO 0.07 -0.27 0.36 -0.36 -0.55 0.00 0.00 176.35 175.60 2g1l s PHE 546 N -1.13 3.68 -0.15 3.48 0.40 0.11 -1.08 117.98 123.29 2g1l s PHE 546 Ca -0.12 0.89 -0.00 0.00 -0.60 0.00 0.00 56.93 57.10 2g1l s PHE 546 Cb -0.07 -2.25 -0.00 0.00 0.51 0.00 0.00 43.02 41.20 2g1l s PHE 546 CO 0.00 0.61 -0.14 1.03 0.70 0.00 0.00 175.22 177.42 2g1l s ARG 547 N -0.89 3.26 -0.21 0.44 0.52 -0.08 -0.69 118.95 121.30 2g1l s ARG 547 Ca 0.22 -0.73 -0.03 0.00 -0.52 0.00 0.00 55.73 54.67 2g1l s ARG 547 Cb -0.16 -2.65 -0.00 0.00 0.52 0.00 0.00 34.95 32.66 2g1l s ARG 547 CO 0.11 0.04 -0.06 0.45 0.02 0.00 0.00 175.30 175.86 2g1l s SER 548 N 0.76 4.15 -0.04 0.23 0.15 0.17 -1.02 113.70 118.10 2g1l s SER 548 Ca -0.06 -0.42 0.04 0.00 0.70 0.00 0.00 55.95 56.21 2g1l s SER 548 Cb -0.15 -1.70 -0.01 0.00 -1.71 0.00 0.00 66.02 62.45 2g1l s SER 548 CO 0.01 -0.02 -0.17 -0.63 1.20 0.00 0.00 173.24 173.64 2g1l s ILE 549 N 1.45 1.38 0.33 6.45 1.09 -0.45 -1.12 121.20 130.32 2g1l s ILE 549 Ca 0.06 -0.70 -0.24 0.00 -1.10 0.00 0.00 60.65 58.66 2g1l s ILE 549 Cb -0.14 -1.18 -0.10 0.00 -1.06 0.00 0.00 42.46 39.98 2g1l s ILE 549 CO -0.05 0.40 0.91 -2.84 -0.10 0.00 0.00 174.94 173.27 2g1l s PRO 550 N -0.05 4.48 0.36 2.79 0.02 -1.26 -1.16 135.00 140.17 2g1l s PRO 550 Ca -0.01 1.23 0.02 0.00 0.02 0.00 0.00 61.00 62.25 2g1l s PRO 550 Cb -0.10 -2.71 -0.02 0.00 0.02 0.00 0.00 34.50 31.69 2g1l s PRO 550 CO 0.01 0.24 0.55 -0.65 -0.33 0.00 0.00 177.00 176.82 2g1l s GLN 551 N -2.24 3.34 0.13 5.54 -0.21 -0.22 -4.93 119.66 121.07 2g1l s GLN 551 Ca 0.51 -0.50 -0.12 0.00 0.02 0.00 0.00 55.36 55.27 2g1l s GLN 551 Cb -0.17 -2.68 0.11 0.00 1.00 0.00 0.00 33.01 31.27 2g1l s GLN 551 CO 0.22 0.07 0.95 -2.30 -2.12 0.00 0.00 175.29 172.10 2g1l n PRO 552 N -1.80 -0.17 0.00 2.91 -0.02 -1.26 0.01 135.00 134.67 2g1l n PRO 552 Ca -0.03 0.94 0.06 0.00 -2.02 0.00 0.00 63.50 62.44 2g1l n PRO 552 Cb 0.57 -1.39 0.34 0.00 -0.02 0.00 0.00 33.50 33.00 2g1l n PRO 552 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2g1l n ASP 553 N -4.87 0.00 0.00 2.55 5.68 -1.26 -4.88 116.55 113.77 2g1l n ASP 553 Ca 0.05 -0.99 0.00 0.00 -0.50 0.00 0.00 54.79 53.35 2g1l n ASP 553 Cb 0.23 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.21 2g1l n ASP 553 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2g1l n GLY 554 N 0.26 2.52 3.64 6.12 0.00 0.10 -5.04 105.19 112.80 2g1l n GLY 554 Ca 0.09 -0.22 -0.44 0.00 0.00 0.00 0.00 46.02 45.44 2g1l n GLY 554 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2g1l n GLU 555 N 0.00 1.72 -3.67 1.61 4.07 -1.26 -4.32 120.64 118.79 2g1l n GLU 555 Ca 0.00 0.61 -0.26 0.00 -0.06 0.00 0.00 57.16 57.45 2g1l n GLU 555 Cb 0.00 -2.10 -0.03 0.00 -0.06 0.00 0.00 31.44 29.25 2g1l n GLU 555 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 2g1l s VAL 556 N -0.86 5.19 -0.11 6.31 1.01 -1.26 -1.05 120.40 129.63 2g1l s VAL 556 Ca 0.60 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 62.12 2g1l s VAL 556 Cb -0.66 -3.78 0.01 0.00 0.00 0.00 0.00 36.38 31.96 2g1l s VAL 556 CO 0.59 -0.28 -0.17 -0.69 0.00 0.00 0.00 175.10 174.55 2g1l s VAL 557 N -1.98 1.62 -0.14 2.92 1.01 -0.31 -4.92 120.40 118.61 2g1l s VAL 557 Ca 0.38 -0.72 -0.00 0.00 0.00 0.00 0.00 61.98 61.63 2g1l s VAL 557 Cb -0.10 -1.47 -0.01 0.00 0.00 0.00 0.00 36.38 34.80 2g1l s VAL 557 CO 0.30 0.47 -0.13 -0.69 0.00 0.00 0.00 175.10 175.05 2g1l s VAL 558 N 0.89 3.02 0.21 2.92 1.01 -1.26 -1.34 120.40 125.85 2g1l s VAL 558 Ca -0.08 -0.66 0.10 0.00 0.00 0.00 0.00 61.98 61.34 2g1l s VAL 558 Cb -0.15 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 2g1l s VAL 558 CO -0.01 0.51 -0.11 0.42 0.00 0.00 0.00 175.10 175.92 2g1l s THR 559 N 0.52 3.05 -0.11 3.92 -4.23 -0.19 -0.92 115.64 117.68 2g1l s THR 559 Ca -0.08 -1.84 0.03 0.00 -1.18 0.00 0.00 61.69 58.62 2g1l s THR 559 Cb -0.16 -2.54 -0.00 0.00 1.34 0.00 0.00 72.50 71.14 2g1l s THR 559 CO 0.04 -0.19 -0.22 -0.22 -0.54 0.00 0.00 174.62 173.48 2g1l s LEU 560 N -3.05 2.17 -0.17 4.79 2.96 0.08 -0.91 118.68 124.56 2g1l s LEU 560 Ca 0.26 -0.54 -0.00 0.00 -0.22 0.00 0.00 54.13 53.63 2g1l s LEU 560 Cb -0.08 -1.44 0.00 0.00 0.50 0.00 0.00 46.19 45.17 2g1l s LEU 560 CO 0.15 0.15 -0.15 -1.61 -1.32 0.00 0.00 176.35 173.57 2g1l s GLU 561 N 0.43 3.17 0.28 1.98 2.02 -0.24 -1.81 118.70 124.53 2g1l s GLU 561 Ca -0.16 -0.76 -0.19 0.00 0.02 0.00 0.00 54.97 53.89 2g1l s GLU 561 Cb -0.17 -2.67 -0.09 0.00 0.10 0.00 0.00 34.13 31.30 2g1l s GLU 561 CO 0.07 -0.09 0.76 -1.25 0.02 0.00 0.00 175.26 174.78 2g1l s PRO 562 N 1.06 4.19 0.19 0.39 0.04 -1.26 -1.38 135.00 138.24 2g1l s PRO 562 Ca -0.01 0.86 -0.13 0.00 0.04 0.00 0.00 61.00 61.77 2g1l s PRO 562 Cb -0.14 -2.66 -0.07 0.00 0.04 0.00 0.00 34.50 31.66 2g1l s PRO 562 CO -0.04 0.27 0.57 0.00 0.04 0.00 0.00 177.00 177.83 2g1l n GLU 564 N 0.35 0.24 -1.01 0.00 4.07 -1.26 -0.90 120.64 122.14 2g1l n GLU 564 Ca -0.02 0.09 -0.00 0.00 -0.06 0.00 0.00 57.16 57.16 2g1l n GLU 564 Cb 0.52 -1.63 -0.00 0.00 -0.06 0.00 0.00 31.44 30.27 2g1l n GLU 564 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2g1l n GLY 565 N 4.12 0.47 3.17 8.31 0.00 -1.26 -5.01 105.19 114.99 2g1l n GLY 565 Ca 0.31 -0.16 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 2g1l n GLY 565 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2g1l s ALA 566 N -1.95 2.47 -0.07 4.61 0.00 -0.08 -4.91 121.76 121.83 2g1l s ALA 566 Ca 0.00 -1.24 -0.24 0.00 0.00 0.00 0.00 51.96 50.48 2g1l s ALA 566 Cb 0.00 -1.34 -0.03 0.00 0.00 0.00 0.00 23.12 21.74 2g1l s ALA 566 CO 0.00 -0.43 0.74 -1.83 0.00 0.00 0.00 175.76 174.24 2g1l s GLU 567 N 1.33 4.44 -0.03 0.00 -1.05 -1.26 -4.44 118.70 117.69 2g1l s GLU 567 Ca 0.04 0.94 -0.03 0.00 -0.15 0.00 0.00 54.97 55.77 2g1l s GLU 567 Cb -0.14 -3.46 0.01 0.00 -0.44 0.00 0.00 34.13 30.10 2g1l s GLU 567 CO -0.10 0.02 0.09 0.99 0.95 0.00 0.00 175.26 177.21 2g1l s THR 568 N 0.94 0.01 -0.02 1.83 2.01 -1.26 -1.53 115.64 117.62 2g1l s THR 568 Ca 0.39 -0.09 0.06 0.00 0.31 0.00 0.00 61.69 62.36 2g1l s THR 568 Cb -0.18 -0.16 -0.01 0.00 0.01 0.00 0.00 72.50 72.15 2g1l s THR 568 CO 0.19 -0.05 -0.21 -0.31 -0.69 0.00 0.00 174.62 173.54 2g1l s TYR 569 N -0.12 1.94 -0.23 4.92 2.02 0.25 -1.05 117.35 125.06 2g1l s TYR 569 Ca -0.02 -0.40 -0.02 0.00 -0.37 0.00 0.00 57.07 56.27 2g1l s TYR 569 Cb -0.02 -1.25 0.02 0.00 -0.40 0.00 0.00 41.96 40.31 2g1l s TYR 569 CO 0.00 -0.06 -0.07 0.08 -1.57 0.00 0.00 175.55 173.93 2g1l s VAL 570 N -0.43 2.89 -1.43 0.71 1.01 -0.20 -1.24 120.40 121.70 2g1l s VAL 570 Ca 0.06 -0.90 -0.08 0.00 0.00 0.00 0.00 61.98 61.07 2g1l s VAL 570 Cb -0.09 -2.41 0.05 0.00 0.00 0.00 0.00 36.38 33.93 2g1l s VAL 570 CO -0.00 0.29 0.87 0.59 0.00 0.00 0.00 175.10 176.84 2g1l n ASN 571 N 4.69 -3.32 0.00 3.32 3.02 0.85 -2.15 115.26 121.67 2g1l n ASN 571 Ca -0.17 -0.79 0.00 0.00 -0.03 0.00 0.00 54.58 53.59 2g1l n ASN 571 Cb 0.48 -3.99 0.00 0.00 -0.61 0.00 0.00 39.78 35.67 2g1l n ASN 571 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2g1l n GLY 572 N -1.66 2.77 3.72 7.41 0.00 -1.26 -5.01 105.19 111.16 2g1l n GLY 572 Ca -0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 2g1l n GLY 572 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2g1l s LYS 573 N -0.07 4.46 0.19 1.61 3.01 -0.91 -4.99 119.74 123.04 2g1l s LYS 573 Ca 0.00 0.99 -0.31 0.00 -1.01 0.00 0.00 55.97 55.64 2g1l s LYS 573 Cb 0.00 -3.44 -0.10 0.00 -1.01 0.00 0.00 37.83 33.28 2g1l s LYS 573 CO 0.00 0.08 1.55 -1.17 0.51 0.00 0.00 175.35 176.32 2g1l s LEU 574 N 0.70 4.37 -0.17 3.17 2.96 -1.26 -1.04 118.68 127.41 2g1l s LEU 574 Ca 0.40 2.65 -0.08 0.00 -0.22 0.00 0.00 54.13 56.88 2g1l s LEU 574 Cb -0.19 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 42.86 2g1l s LEU 574 CO 0.20 -0.81 0.08 0.68 -1.32 0.00 0.00 176.35 175.18 2g1l s VAL 575 N 0.89 5.00 0.00 1.68 -7.23 -0.22 -4.89 120.40 115.63 2g1l s VAL 575 Ca 0.68 0.04 0.00 0.00 -1.81 0.00 0.00 61.98 60.89 2g1l s VAL 575 Cb -0.44 -3.25 0.00 0.00 0.56 0.00 0.00 36.38 33.26 2g1l s VAL 575 CO 0.34 0.48 0.00 1.07 -0.31 0.00 0.00 175.10 176.68 2g1l n THR 576 N 3.26 0.00 -4.45 5.32 5.66 -1.26 -4.53 114.28 118.28 2g1l n THR 576 Ca -0.17 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.61 2g1l n THR 576 Cb 0.53 0.05 -0.10 0.00 -1.55 0.00 0.00 70.33 69.25 2g1l n THR 576 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 2g1l s GLU 577 N -1.83 1.61 0.72 1.09 0.41 -1.26 -4.84 118.70 114.60 2g1l s GLU 577 Ca 0.00 -1.84 -0.16 0.00 -0.41 0.00 0.00 54.97 52.57 2g1l s GLU 577 Cb 0.00 -1.17 0.03 0.00 -1.78 0.00 0.00 34.13 31.21 2g1l s GLU 577 CO 0.00 -0.00 1.24 -2.14 -0.49 0.00 0.00 175.26 173.87 2g1l s PRO 578 N -3.75 2.17 -0.17 0.39 0.02 -1.26 -4.62 135.00 127.78 2g1l s PRO 578 Ca 0.31 1.86 -0.15 0.00 0.02 0.00 0.00 61.00 63.05 2g1l s PRO 578 Cb 0.05 -1.83 0.05 0.00 0.02 0.00 0.00 34.50 32.79 2g1l s PRO 578 CO 0.13 -1.83 0.45 -1.17 -0.33 0.00 0.00 177.00 174.25 2g1l s LEU 579 N -5.00 0.20 -0.19 -5.54 2.96 -0.75 -4.99 118.68 105.37 2g1l s LEU 579 Ca 0.77 0.92 -0.25 0.00 -0.22 0.00 0.00 54.13 55.35 2g1l s LEU 579 Cb -0.32 1.55 -0.01 0.00 0.50 0.00 0.00 46.19 47.91 2g1l s LEU 579 CO 0.44 -0.16 0.82 -0.69 -1.32 0.00 0.00 176.35 175.44 2g1l s VAL 580 N 0.41 4.88 0.66 1.68 1.01 -1.26 -0.74 120.40 127.04 2g1l s VAL 580 Ca -0.01 1.59 -0.11 0.00 0.00 0.00 0.00 61.98 63.44 2g1l s VAL 580 Cb -0.04 -4.12 -0.02 0.00 0.00 0.00 0.00 36.38 32.21 2g1l s VAL 580 CO -0.01 0.01 1.04 -0.76 0.00 0.00 0.00 175.10 175.38 2g1l s LEU 581 N 2.29 3.18 0.01 3.92 1.43 -0.10 -4.97 118.68 124.45 2g1l s LEU 581 Ca 0.37 1.51 0.01 0.00 -1.03 0.00 0.00 54.13 54.99 2g1l s LEU 581 Cb -0.16 -4.48 -0.01 0.00 0.03 0.00 0.00 46.19 41.56 2g1l s LEU 581 CO 0.11 -1.14 -0.05 -0.54 0.23 0.00 0.00 176.35 174.96 2g1l s LYS 582 N -5.11 0.35 0.20 1.70 -0.14 -1.26 -4.71 119.74 110.77 2g1l s LYS 582 Ca 0.56 -0.39 -0.33 0.00 -1.36 0.00 0.00 55.97 54.46 2g1l s LYS 582 Cb -0.12 -0.21 -0.14 0.00 -1.68 0.00 0.00 37.83 35.68 2g1l s LYS 582 CO 0.54 0.05 1.50 0.45 -0.76 0.00 0.00 175.35 177.13 2g1l n SER 583 N 2.32 2.95 0.00 2.83 2.88 -1.26 -0.96 113.62 122.37 2g1l n SER 583 Ca -0.17 1.11 0.00 0.00 -1.33 0.00 0.00 58.87 58.48 2g1l n SER 583 Cb 0.57 -1.43 0.00 0.00 -0.75 0.00 0.00 64.21 62.60 2g1l n SER 583 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2g1l n GLY 584 N 2.78 2.68 3.54 0.46 0.00 0.34 -4.94 105.19 110.05 2g1l n GLY 584 Ca 0.14 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.70 2g1l n GLY 584 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2g1l n ASN 585 N 0.00 0.68 -4.55 1.61 5.03 -0.14 -4.71 115.26 113.18 2g1l n ASN 585 Ca 0.00 1.16 -0.34 0.00 0.87 0.00 0.00 54.58 56.27 2g1l n ASN 585 Cb 0.00 -1.19 -0.11 0.00 -1.02 0.00 0.00 39.78 37.46 2g1l n ASN 585 CO 0.00 0.00 0.00 -0.60 -1.83 0.00 0.00 177.26 174.83 2g1l s ARG 586 N -1.16 3.81 -0.13 3.52 3.52 -1.26 -1.23 118.95 126.02 2g1l s ARG 586 Ca 0.63 -0.43 0.02 0.00 -0.13 0.00 0.00 55.73 55.83 2g1l s ARG 586 Cb -0.80 -3.11 0.01 0.00 -1.56 0.00 0.00 34.95 29.50 2g1l s ARG 586 CO 0.57 0.20 -0.20 0.42 -0.81 0.00 0.00 175.30 175.48 2g1l s ILE 587 N 0.53 1.91 -0.11 4.11 1.01 -0.19 -0.10 121.20 128.36 2g1l s ILE 587 Ca 0.01 -0.90 0.02 0.00 0.00 0.00 0.00 60.65 59.78 2g1l s ILE 587 Cb -0.13 -1.70 -0.01 0.00 0.01 0.00 0.00 42.46 40.62 2g1l s ILE 587 CO 0.02 0.52 -0.16 -0.69 0.00 0.00 0.00 174.94 174.63 2g1l s VAL 588 N 0.81 2.83 -0.10 2.92 1.01 -0.38 0.22 120.40 127.70 2g1l s VAL 588 Ca -0.08 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.18 2g1l s VAL 588 Cb -0.16 -2.15 0.00 0.00 0.00 0.00 0.00 36.38 34.08 2g1l s VAL 588 CO -0.01 0.54 -0.23 -0.04 0.00 0.00 0.00 175.10 175.37 2g1l s MET 589 N 0.12 2.96 5.51 2.72 -1.94 0.13 -0.59 119.30 128.22 2g1l s MET 589 Ca -0.08 -0.85 0.00 0.00 -1.71 0.00 0.00 55.69 53.06 2g1l s MET 589 Cb -0.15 -2.27 0.00 0.00 2.01 0.00 0.00 34.83 34.42 2g1l s MET 589 CO 0.05 0.14 0.00 0.41 -0.01 0.00 0.00 175.02 175.61 2g1l n GLY 590 N 3.62 2.32 0.00 -0.03 0.00 -0.58 -3.02 105.19 107.51 2g1l n GLY 590 Ca -0.19 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.32 2g1l n GLY 590 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2g1l n LYS 591 N 13.48 3.65 -0.06 1.61 5.02 -1.26 -4.79 118.16 135.80 2g1l n LYS 591 Ca 0.00 -0.16 0.03 0.00 -2.02 0.00 0.00 58.31 56.16 2g1l n LYS 591 Cb 0.00 -0.62 0.06 0.00 -0.02 0.00 0.00 35.03 34.45 2g1l n LYS 591 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2g1l n ASN 592 N -0.57 2.32 -3.78 4.39 3.02 -1.25 -4.96 115.26 114.43 2g1l n ASN 592 Ca 0.00 -2.13 -0.27 0.00 -0.03 0.00 0.00 54.58 52.15 2g1l n ASN 592 Cb 0.01 -0.11 -0.17 0.00 -0.61 0.00 0.00 39.78 38.90 2g1l n ASN 592 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 2g1l s HIS 593 N -1.22 1.19 -0.11 3.10 3.76 -1.17 -5.00 115.29 115.84 2g1l s HIS 593 Ca 0.10 -0.85 0.02 0.00 -0.15 0.00 0.00 55.06 54.18 2g1l s HIS 593 Cb 0.06 -1.08 -0.01 0.00 1.11 0.00 0.00 32.58 32.67 2g1l s HIS 593 CO 0.04 -0.58 -0.19 0.08 -0.85 0.00 0.00 174.74 173.25 2g1l s VAL 594 N 1.80 2.55 0.19 -0.90 1.01 -1.26 -0.69 120.40 123.10 2g1l s VAL 594 Ca 0.00 -0.84 0.06 0.00 0.00 0.00 0.00 61.98 61.20 2g1l s VAL 594 Cb -0.16 -2.03 -0.05 0.00 0.00 0.00 0.00 36.38 34.15 2g1l s VAL 594 CO -0.07 0.54 -0.11 -0.36 0.00 0.00 0.00 175.10 175.10 2g1l s PHE 595 N 0.33 1.54 -0.09 5.22 0.08 0.13 0.06 117.98 125.25 2g1l s PHE 595 Ca -0.15 -0.68 -0.01 0.00 0.12 0.00 0.00 56.93 56.21 2g1l s PHE 595 Cb -0.17 -0.77 -0.03 0.00 -0.57 0.00 0.00 43.02 41.49 2g1l s PHE 595 CO 0.07 0.21 -0.04 0.50 -0.10 0.00 0.00 175.22 175.87 2g1l s ARG 596 N -3.71 2.98 -0.22 0.44 3.52 0.10 -1.02 118.95 121.04 2g1l s ARG 596 Ca 0.21 -0.50 -0.21 0.00 -0.13 0.00 0.00 55.73 55.11 2g1l s ARG 596 Cb 0.01 -2.71 -0.02 0.00 -1.56 0.00 0.00 34.95 30.67 2g1l s ARG 596 CO 0.05 0.60 0.64 0.12 -0.81 0.00 0.00 175.30 175.90 2g1l s PHE 597 N -0.63 3.34 -0.13 5.12 2.19 -0.37 -0.74 117.98 126.77 2g1l s PHE 597 Ca 0.10 0.90 0.02 0.00 0.33 0.00 0.00 56.93 58.27 2g1l s PHE 597 Cb -0.12 -2.82 0.02 0.00 -1.31 0.00 0.00 43.02 38.79 2g1l s PHE 597 CO 0.02 -0.23 -0.17 -0.80 1.83 0.00 0.00 175.22 175.87 2g1l s ASN 598 N 1.29 2.70 0.00 6.13 0.01 0.04 -0.51 114.94 124.61 2g1l s ASN 598 Ca 0.28 -0.50 0.13 0.00 -0.71 0.00 0.00 52.86 52.06 2g1l s ASN 598 Cb -0.16 -1.22 0.10 0.00 0.41 0.00 0.00 41.25 40.38 2g1l s ASN 598 CO 0.10 0.02 0.91 1.57 -1.51 0.00 0.00 177.10 178.18