#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1om9 n SER 499 N 0.00 0.26 -4.72 0.00 2.88 -1.26 -4.93 113.62 105.85 1om9 n SER 499 Ca 0.00 0.35 -0.42 0.00 -1.33 0.00 0.00 58.87 57.48 1om9 n SER 499 Cb 0.00 -0.37 -0.03 0.00 -0.75 0.00 0.00 64.21 63.06 1om9 n SER 499 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 1om9 s ILE 500 N -3.03 4.45 0.28 2.46 -5.25 -1.26 -5.05 121.20 113.80 1om9 s ILE 500 Ca 0.12 1.83 0.11 0.00 -0.99 0.00 0.00 60.65 61.72 1om9 s ILE 500 Cb 0.17 -4.17 -0.05 0.00 2.95 0.00 0.00 42.46 41.37 1om9 s ILE 500 CO 0.58 0.18 -0.09 0.42 -1.79 0.00 0.00 174.94 174.24 1om9 s THR 501 N 0.74 2.95 -0.22 8.37 -4.23 -1.26 -5.06 115.64 116.92 1om9 s THR 501 Ca 0.53 -2.14 -0.03 0.00 -1.18 0.00 0.00 61.69 58.87 1om9 s THR 501 Cb -0.25 -2.59 0.07 0.00 1.34 0.00 0.00 72.50 71.07 1om9 s THR 501 CO 0.29 -0.37 0.05 -0.69 -0.54 0.00 0.00 174.62 173.36 1om9 s VAL 502 N -2.42 0.54 0.49 2.29 1.01 -1.26 -5.12 120.40 115.93 1om9 s VAL 502 Ca 0.31 -0.70 -0.21 0.00 0.00 0.00 0.00 61.98 61.38 1om9 s VAL 502 Cb -0.05 -1.13 -0.07 0.00 0.00 0.00 0.00 36.38 35.13 1om9 s VAL 502 CO 0.18 -0.31 1.12 -2.16 0.00 0.00 0.00 175.10 173.93 1om9 s PRO 503 N 1.84 3.63 0.20 2.72 0.04 -1.26 -4.92 135.00 137.24 1om9 s PRO 503 Ca 0.01 1.63 -0.11 0.00 0.04 0.00 0.00 61.00 62.57 1om9 s PRO 503 Cb -0.17 -2.21 0.19 0.00 0.04 0.00 0.00 34.50 32.35 1om9 s PRO 503 CO -0.12 -0.63 1.80 -0.07 0.04 0.00 0.00 177.00 178.02 1om9 h LEU 504 N 1.67 0.50 -1.84 -3.56 3.38 -2.00 -2.15 115.31 111.31 1om9 h LEU 504 Ca -0.50 0.02 0.04 0.00 0.09 0.00 0.00 57.88 57.54 1om9 h LEU 504 Cb 1.25 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 1om9 h LEU 504 CO 0.59 0.33 0.43 1.05 0.09 0.00 0.00 178.44 180.93 1om9 h GLU 505 N 0.63 0.00 -0.02 1.13 4.11 -2.07 -2.17 114.58 116.19 1om9 h GLU 505 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.69 1om9 h GLU 505 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1om9 h GLU 505 CO -0.16 0.00 -0.39 -1.13 0.07 0.00 0.00 179.01 177.40 1om9 n SER 506 N -3.10 2.19 -4.70 3.06 3.41 -0.81 -4.92 113.62 108.75 1om9 n SER 506 Ca 0.01 -1.60 -0.39 0.00 -0.26 0.00 0.00 58.87 56.64 1om9 n SER 506 Cb 0.52 0.40 -0.06 0.00 -0.26 0.00 0.00 64.21 64.81 1om9 n SER 506 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1om9 s ILE 507 N -2.38 5.10 -0.29 -1.33 1.01 -0.82 -4.79 121.20 117.70 1om9 s ILE 507 Ca 0.20 1.15 -0.12 0.00 0.00 0.00 0.00 60.65 61.88 1om9 s ILE 507 Cb 0.18 -3.91 -0.04 0.00 0.01 0.00 0.00 42.46 38.70 1om9 s ILE 507 CO 0.52 0.24 0.23 -0.54 0.00 0.00 0.00 174.94 175.38 1om9 s LYS 508 N 1.10 3.84 0.43 2.79 1.02 -1.26 -5.06 119.74 122.60 1om9 s LYS 508 Ca 0.30 -0.36 -0.25 0.00 0.02 0.00 0.00 55.97 55.68 1om9 s LYS 508 Cb -0.16 -3.70 -0.09 0.00 -0.52 0.00 0.00 37.83 33.36 1om9 s LYS 508 CO 0.12 -0.26 1.27 -0.35 -0.92 0.00 0.00 175.35 175.22 1om9 n PRO 509 N 5.11 1.91 -1.98 -1.68 -0.04 -1.26 -4.50 135.00 132.56 1om9 n PRO 509 Ca -0.13 0.68 -0.30 0.00 -0.04 0.00 0.00 63.50 63.72 1om9 n PRO 509 Cb 0.51 -2.39 0.20 0.00 -0.04 0.00 0.00 33.50 31.77 1om9 n PRO 509 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1om9 s SER 510 N -0.56 2.99 0.00 3.54 1.04 -1.19 -4.99 113.70 114.53 1om9 s SER 510 Ca 0.62 0.15 0.20 0.00 0.48 0.00 0.00 55.95 57.40 1om9 s SER 510 Cb -0.50 -0.15 0.53 0.00 0.10 0.00 0.00 66.02 66.00 1om9 s SER 510 CO 0.57 -2.80 1.44 0.59 0.98 0.00 0.00 173.24 174.03 1om9 n ASN 511 N -3.78 2.92 -4.76 7.02 3.02 -1.26 -4.96 115.26 113.47 1om9 n ASN 511 Ca 0.16 -1.94 -0.40 0.00 -0.03 0.00 0.00 54.58 52.37 1om9 n ASN 511 Cb 0.59 -0.27 -0.04 0.00 -0.61 0.00 0.00 39.78 39.44 1om9 n ASN 511 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1om9 s ILE 512 N -1.45 3.58 0.73 2.41 -1.09 -1.26 -5.00 121.20 119.11 1om9 s ILE 512 Ca 0.37 1.56 -0.15 0.00 -2.23 0.00 0.00 60.65 60.20 1om9 s ILE 512 Cb 0.21 -3.99 0.04 0.00 -1.58 0.00 0.00 42.46 37.13 1om9 s ILE 512 CO 0.28 0.36 1.20 -0.76 -1.23 0.00 0.00 174.94 174.79 1om9 s LEU 513 N -1.28 3.32 0.93 2.97 1.02 -1.26 -4.82 118.68 119.56 1om9 s LEU 513 Ca 0.45 2.32 -0.11 0.00 0.02 0.00 0.00 54.13 56.80 1om9 s LEU 513 Cb -0.31 -4.58 0.15 0.00 0.02 0.00 0.00 46.19 41.47 1om9 s LEU 513 CO 0.40 -2.21 1.09 -2.16 0.02 0.00 0.00 176.35 173.49 1om9 s PRO 514 N -3.94 0.93 -0.07 1.29 0.04 -1.26 -4.83 135.00 127.16 1om9 s PRO 514 Ca 0.73 1.03 0.03 0.00 0.04 0.00 0.00 61.00 62.83 1om9 s PRO 514 Cb -0.28 -1.75 0.01 0.00 0.04 0.00 0.00 34.50 32.51 1om9 s PRO 514 CO 0.45 -2.53 -0.16 0.08 0.04 0.00 0.00 177.00 174.89 1om9 s VAL 515 N -2.78 1.41 -0.18 -0.36 1.01 -0.77 -4.97 120.40 113.76 1om9 s VAL 515 Ca 0.65 -0.65 -0.22 0.00 0.00 0.00 0.00 61.98 61.76 1om9 s VAL 515 Cb -0.20 -1.25 -0.02 0.00 0.00 0.00 0.00 36.38 34.90 1om9 s VAL 515 CO 0.58 0.41 0.68 -0.89 0.00 0.00 0.00 175.10 175.89 1om9 s THR 516 N 0.49 4.99 -0.17 3.92 2.01 -1.26 -1.34 115.64 124.28 1om9 s THR 516 Ca -0.14 1.31 0.01 0.00 0.31 0.00 0.00 61.69 63.18 1om9 s THR 516 Cb -0.16 -4.00 -0.22 0.00 0.01 0.00 0.00 72.50 68.13 1om9 s THR 516 CO 0.05 0.10 0.14 0.52 -0.69 0.00 0.00 174.62 174.74 1om9 n VAL 517 N 4.62 1.62 -3.71 3.82 0.31 0.56 -4.98 118.33 120.56 1om9 n VAL 517 Ca -0.00 -0.66 -0.13 0.00 -0.01 0.00 0.00 64.34 63.54 1om9 n VAL 517 Cb 0.50 -1.43 -0.10 0.00 -0.91 0.00 0.00 33.84 31.91 1om9 n VAL 517 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 1om9 s TYR 518 N -2.54 -0.53 -0.38 3.52 5.04 -1.19 -4.93 117.35 116.34 1om9 s TYR 518 Ca -0.24 1.27 0.04 0.00 -2.44 0.00 0.00 57.07 55.70 1om9 s TYR 518 Cb 0.08 0.19 0.16 0.00 0.35 0.00 0.00 41.96 42.74 1om9 s TYR 518 CO 0.72 -0.26 0.45 0.34 -1.34 0.00 0.00 175.55 175.46 1om9 s ASP 519 N 0.36 0.36 0.02 4.32 2.15 -1.25 -0.84 116.67 121.79 1om9 s ASP 519 Ca -0.01 -1.32 -0.24 0.00 0.43 0.00 0.00 52.55 51.41 1om9 s ASP 519 Cb -0.04 0.98 0.06 0.00 -0.30 0.00 0.00 42.92 43.62 1om9 s ASP 519 CO -0.01 -0.24 0.55 -1.58 -0.17 0.00 0.00 175.17 173.73 1om9 s GLN 520 N 1.58 1.03 -1.86 4.34 0.74 -0.13 -4.95 119.66 120.41 1om9 s GLN 520 Ca 0.16 -0.12 0.00 0.00 0.05 0.00 0.00 55.36 55.46 1om9 s GLN 520 Cb -0.12 0.47 0.00 0.00 1.10 0.00 0.00 33.01 34.46 1om9 s GLN 520 CO -0.05 -0.36 0.00 0.72 -0.55 0.00 0.00 175.29 175.05 1om9 n HIS 521 N 0.55 -0.60 -0.98 1.67 8.25 -1.26 -1.04 115.22 121.81 1om9 n HIS 521 Ca -0.19 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 1om9 n HIS 521 Cb 0.59 -3.56 0.00 0.00 1.12 0.00 0.00 29.99 28.14 1om9 n HIS 521 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1om9 n GLY 522 N -0.69 0.45 3.17 -1.41 0.00 -1.26 -4.57 105.19 100.88 1om9 n GLY 522 Ca -0.21 -0.59 -0.27 0.00 0.00 0.00 0.00 46.02 44.95 1om9 n GLY 522 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1om9 s PHE 523 N -2.00 1.85 -0.02 1.61 5.36 -0.21 -0.33 117.98 124.24 1om9 s PHE 523 Ca 0.00 -0.51 -0.01 0.00 -0.96 0.00 0.00 56.93 55.45 1om9 s PHE 523 Cb 0.00 -1.23 0.02 0.00 -0.34 0.00 0.00 43.02 41.47 1om9 s PHE 523 CO 0.00 -0.16 0.05 0.50 -1.46 0.00 0.00 175.22 174.15 1om9 s ARG 524 N -0.07 0.00 -0.03 10.12 3.52 -0.79 -0.96 118.95 130.74 1om9 s ARG 524 Ca -0.02 0.17 0.05 0.00 -0.13 0.00 0.00 55.73 55.80 1om9 s ARG 524 Cb -0.11 -0.16 -0.03 0.00 -1.56 0.00 0.00 34.95 33.09 1om9 s ARG 524 CO 0.02 -0.12 -0.16 0.42 -0.81 0.00 0.00 175.30 174.65 1om9 s ILE 525 N 0.78 2.88 0.08 4.11 -1.09 -0.02 -1.41 121.20 126.53 1om9 s ILE 525 Ca -0.06 -0.83 0.03 0.00 -2.23 0.00 0.00 60.65 57.55 1om9 s ILE 525 Cb -0.09 -2.12 -0.03 0.00 -1.58 0.00 0.00 42.46 38.63 1om9 s ILE 525 CO -0.03 0.56 -0.08 -0.76 -1.23 0.00 0.00 174.94 173.40 1om9 s LEU 526 N -0.79 2.40 -0.16 2.97 1.43 -0.23 -0.33 118.68 123.97 1om9 s LEU 526 Ca 0.12 -0.80 -0.02 0.00 -1.03 0.00 0.00 54.13 52.39 1om9 s LEU 526 Cb -0.10 -0.19 -0.02 0.00 0.03 0.00 0.00 46.19 45.90 1om9 s LEU 526 CO 0.01 -0.31 -0.07 -0.36 0.23 0.00 0.00 176.35 175.85 1om9 s PHE 527 N -2.53 2.93 -0.10 0.29 2.99 -0.45 -1.06 117.98 120.05 1om9 s PHE 527 Ca 0.03 -0.58 -0.01 0.00 0.00 0.00 0.00 56.93 56.37 1om9 s PHE 527 Cb -0.02 -1.95 -0.03 0.00 0.00 0.00 0.00 43.02 41.01 1om9 s PHE 527 CO -0.01 -0.23 -0.04 -1.01 -0.00 0.00 0.00 175.22 173.93 1om9 s HIS 528 N 0.64 3.02 -0.13 0.36 3.76 -0.42 -1.84 115.29 120.69 1om9 s HIS 528 Ca -0.04 -0.02 -0.08 0.00 -0.15 0.00 0.00 55.06 54.77 1om9 s HIS 528 Cb -0.15 -1.80 -0.04 0.00 1.11 0.00 0.00 32.58 31.70 1om9 s HIS 528 CO 0.02 0.27 0.14 -0.06 -0.85 0.00 0.00 174.74 174.26 1om9 s PHE 529 N -0.50 3.57 0.01 1.40 0.40 -1.26 -0.39 117.98 121.21 1om9 s PHE 529 Ca 0.08 0.50 -0.01 0.00 -0.60 0.00 0.00 56.93 56.90 1om9 s PHE 529 Cb -0.12 -1.98 -0.01 0.00 0.51 0.00 0.00 43.02 41.42 1om9 s PHE 529 CO 0.02 0.66 0.02 0.00 0.70 0.00 0.00 175.22 176.62 1om9 s ALA 530 N -0.80 -0.01 0.35 5.36 0.00 -0.23 -3.17 121.76 123.26 1om9 s ALA 530 Ca 0.14 -0.27 -0.27 0.00 0.00 0.00 0.00 51.96 51.56 1om9 s ALA 530 Cb -0.12 0.07 -0.12 0.00 0.00 0.00 0.00 23.12 22.94 1om9 s ALA 530 CO 0.03 -0.11 1.05 -2.13 0.00 0.00 0.00 175.76 174.60 1om9 n ARG 531 N 2.14 1.49 -1.82 0.00 0.63 -1.26 -2.31 116.66 115.53 1om9 n ARG 531 Ca -0.19 0.53 -0.42 0.00 -0.92 0.00 0.00 57.85 56.84 1om9 n ARG 531 Cb 0.57 -2.00 -0.03 0.00 0.45 0.00 0.00 32.46 31.45 1om9 n ARG 531 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1om9 s ASP 532 N -0.58 6.55 0.22 6.15 2.15 -1.26 -4.74 116.67 125.16 1om9 s ASP 532 Ca 0.60 2.48 0.11 0.00 0.43 0.00 0.00 52.55 56.16 1om9 s ASP 532 Cb -0.62 -2.53 0.13 0.00 -0.30 0.00 0.00 42.92 39.60 1om9 s ASP 532 CO 0.59 -1.00 1.47 1.55 -0.17 0.00 0.00 175.17 177.62 1om9 h PRO 533 N 10.11 0.00 -6.30 4.34 0.13 -1.91 -3.42 132.00 134.94 1om9 h PRO 533 Ca -0.45 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.13 1om9 h PRO 533 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1om9 h PRO 533 CO 0.95 0.73 0.97 -0.51 -0.23 0.00 0.00 178.00 179.91 1om9 s LEU 534 N -7.03 4.30 0.89 1.56 1.43 -1.26 -5.03 118.68 113.55 1om9 s LEU 534 Ca 0.00 2.15 -0.12 0.00 -1.03 0.00 0.00 54.13 55.13 1om9 s LEU 534 Cb 0.11 -3.55 0.08 0.00 0.03 0.00 0.00 46.19 42.86 1om9 s LEU 534 CO 0.77 -0.83 0.82 -2.65 0.23 0.00 0.00 176.35 174.69 1om9 n PRO 535 N 6.34 -0.22 -0.95 1.29 -0.02 -1.26 -4.10 135.00 136.09 1om9 n PRO 535 Ca 0.15 -0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 1om9 n PRO 535 Cb 0.43 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 1om9 n PRO 535 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1om9 n GLY 536 N 0.91 0.52 2.56 -1.23 0.00 -1.26 -4.98 105.19 101.70 1om9 n GLY 536 Ca 0.10 -0.05 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 1om9 n GLY 536 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1om9 s ARG 537 N -0.13 0.59 0.00 1.61 1.81 -1.26 -4.98 118.95 116.58 1om9 s ARG 537 Ca 0.00 -1.20 0.12 0.00 -1.72 0.00 0.00 55.73 52.92 1om9 s ARG 537 Cb 0.00 -1.11 0.50 0.00 -0.45 0.00 0.00 34.95 33.89 1om9 s ARG 537 CO 0.00 -1.21 1.35 -1.13 -0.68 0.00 0.00 175.30 173.63 1om9 n SER 538 N 4.06 0.86 -0.76 0.23 3.41 -1.26 -3.76 113.62 116.41 1om9 n SER 538 Ca 0.12 -1.80 0.07 0.00 -0.26 0.00 0.00 58.87 57.00 1om9 n SER 538 Cb 0.40 -0.09 0.17 0.00 -0.26 0.00 0.00 64.21 64.44 1om9 n SER 538 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1om9 n ASP 539 N -0.11 3.04 -4.41 4.04 5.75 -1.26 -4.34 116.55 119.26 1om9 n ASP 539 Ca 0.10 -1.96 -0.36 0.00 -0.01 0.00 0.00 54.79 52.56 1om9 n ASP 539 Cb 0.17 -0.26 -0.13 0.00 -1.03 0.00 0.00 41.12 39.87 1om9 n ASP 539 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1om9 s VAL 540 N -1.01 4.01 -0.03 2.12 1.01 -1.25 -0.85 120.40 124.40 1om9 s VAL 540 Ca 0.27 -0.28 -0.19 0.00 0.00 0.00 0.00 61.98 61.78 1om9 s VAL 540 Cb 0.14 -2.86 -0.05 0.00 0.00 0.00 0.00 36.38 33.62 1om9 s VAL 540 CO 0.19 0.37 0.54 -0.22 0.00 0.00 0.00 175.10 175.98 1om9 s LEU 541 N 1.52 4.39 -0.19 3.92 2.96 0.17 -4.01 118.68 127.44 1om9 s LEU 541 Ca 0.06 1.04 -0.11 0.00 -0.22 0.00 0.00 54.13 54.90 1om9 s LEU 541 Cb -0.15 -2.81 -0.05 0.00 0.50 0.00 0.00 46.19 43.68 1om9 s LEU 541 CO 0.01 0.11 0.18 -0.69 -1.32 0.00 0.00 176.35 174.65 1om9 s VAL 542 N -0.12 5.37 -0.25 1.68 1.01 -0.98 -1.00 120.40 126.11 1om9 s VAL 542 Ca 0.29 0.30 0.02 0.00 0.00 0.00 0.00 61.98 62.59 1om9 s VAL 542 Cb -0.17 -3.52 0.06 0.00 0.00 0.00 0.00 36.38 32.75 1om9 s VAL 542 CO 0.15 0.41 -0.09 -0.69 0.00 0.00 0.00 175.10 174.88 1om9 s VAL 543 N 0.47 1.97 -0.52 2.92 1.01 0.22 -1.07 120.40 125.41 1om9 s VAL 543 Ca 0.11 -1.53 -0.26 0.00 0.00 0.00 0.00 61.98 60.30 1om9 s VAL 543 Cb -0.12 -2.14 0.03 0.00 0.00 0.00 0.00 36.38 34.15 1om9 s VAL 543 CO 0.00 -0.07 1.01 -0.69 0.00 0.00 0.00 175.10 175.36 1om9 s VAL 544 N 1.19 4.31 -0.21 2.92 1.01 0.48 -0.95 120.40 129.16 1om9 s VAL 544 Ca -0.08 0.66 -0.24 0.00 0.00 0.00 0.00 61.98 62.32 1om9 s VAL 544 Cb -0.20 -4.56 -0.01 0.00 0.00 0.00 0.00 36.38 31.62 1om9 s VAL 544 CO -0.05 -1.07 0.81 -0.69 0.00 0.00 0.00 175.10 174.10 1om9 s VAL 545 N 4.17 4.87 -0.10 2.92 1.01 -0.11 -1.30 120.40 131.87 1om9 s VAL 545 Ca 0.37 1.56 0.01 0.00 0.00 0.00 0.00 61.98 63.92 1om9 s VAL 545 Cb -0.10 -4.11 -0.02 0.00 0.00 0.00 0.00 36.38 32.15 1om9 s VAL 545 CO 0.24 -0.01 -0.12 -0.44 0.00 0.00 0.00 175.10 174.77 1om9 s SER 546 N 1.25 4.16 -0.16 3.32 0.01 -0.23 -1.46 113.70 120.59 1om9 s SER 546 Ca 0.36 -0.23 0.01 0.00 1.31 0.00 0.00 55.95 57.40 1om9 s SER 546 Cb -0.16 -1.30 0.02 0.00 0.21 0.00 0.00 66.02 64.79 1om9 s SER 546 CO 0.10 0.25 -0.16 -0.04 0.41 0.00 0.00 173.24 173.80 1om9 s MET 547 N -0.17 2.51 0.03 12.44 1.00 -0.36 -1.06 119.30 133.68 1om9 s MET 547 Ca 0.00 -0.68 0.07 0.00 0.00 0.00 0.00 55.69 55.08 1om9 s MET 547 Cb -0.13 -2.30 -0.02 0.00 0.00 0.00 0.00 34.83 32.38 1om9 s MET 547 CO 0.03 -0.25 -0.19 -0.51 0.00 0.00 0.00 175.02 174.10 1om9 s LEU 548 N 1.41 2.14 -0.01 -0.03 1.43 -0.50 -1.70 118.68 121.42 1om9 s LEU 548 Ca 0.04 -0.47 0.05 0.00 -1.03 0.00 0.00 54.13 52.72 1om9 s LEU 548 Cb -0.13 -0.91 -0.01 0.00 0.03 0.00 0.00 46.19 45.17 1om9 s LEU 548 CO -0.11 0.15 -0.15 -0.55 0.23 0.00 0.00 176.35 175.92 1om9 s SER 549 N -1.00 1.81 -0.11 2.29 0.15 -1.26 -1.89 113.70 113.68 1om9 s SER 549 Ca 0.06 -0.28 0.15 0.00 0.70 0.00 0.00 55.95 56.58 1om9 s SER 549 Cb -0.08 -0.20 0.25 0.00 -1.71 0.00 0.00 66.02 64.27 1om9 s SER 549 CO 0.01 0.19 1.13 0.35 1.20 0.00 0.00 173.24 176.12 1om9 n THR 550 N 2.71 1.51 -2.00 6.45 -2.24 0.55 -4.80 114.28 116.46 1om9 n THR 550 Ca -0.14 -1.89 -0.37 0.00 -2.27 0.00 0.00 64.05 59.37 1om9 n THR 550 Cb 0.55 -0.07 0.02 0.00 -2.10 0.00 0.00 70.33 68.73 1om9 n THR 550 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1om9 s ALA 551 N -2.29 2.81 0.21 6.98 0.00 -1.18 -4.67 121.76 123.63 1om9 s ALA 551 Ca 0.26 1.13 0.21 0.00 0.00 0.00 0.00 51.96 53.56 1om9 s ALA 551 Cb 0.24 -3.48 0.86 0.00 0.00 0.00 0.00 23.12 20.74 1om9 s ALA 551 CO 0.01 -1.08 1.81 -1.00 0.00 0.00 0.00 175.76 175.50 1om9 h PRO 552 N 1.54 0.00 -6.16 0.00 0.13 -1.92 -0.84 132.00 124.75 1om9 h PRO 552 Ca -0.50 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.09 1om9 h PRO 552 Cb 1.28 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.36 1om9 h PRO 552 CO 0.58 0.30 -0.52 -0.65 -0.23 0.00 0.00 178.00 177.48 1om9 s GLN 553 N -3.75 3.10 0.81 0.86 -0.21 -1.26 -4.22 119.66 114.98 1om9 s GLN 553 Ca -0.00 -0.82 -0.11 0.00 0.02 0.00 0.00 55.36 54.44 1om9 s GLN 553 Cb 0.11 -2.74 0.08 0.00 1.00 0.00 0.00 33.01 31.47 1om9 s GLN 553 CO 0.66 0.47 1.13 -1.25 -2.12 0.00 0.00 175.29 174.18 1om9 s PRO 554 N -3.36 1.86 -0.16 2.91 0.04 -1.26 -4.22 135.00 130.82 1om9 s PRO 554 Ca 0.32 1.40 0.02 0.00 0.04 0.00 0.00 61.00 62.78 1om9 s PRO 554 Cb -0.10 -1.84 0.01 0.00 0.04 0.00 0.00 34.50 32.62 1om9 s PRO 554 CO 0.26 -1.97 -0.21 0.42 0.04 0.00 0.00 177.00 175.53 1om9 s ILE 555 N -2.65 2.03 0.44 0.56 1.01 -0.38 -4.19 121.20 118.02 1om9 s ILE 555 Ca 0.65 -0.94 0.03 0.00 0.00 0.00 0.00 60.65 60.40 1om9 s ILE 555 Cb -0.21 -1.81 -0.04 0.00 0.01 0.00 0.00 42.46 40.41 1om9 s ILE 555 CO 0.54 0.54 0.04 -0.13 0.00 0.00 0.00 174.94 175.93 1om9 s ARG 556 N 1.05 2.01 -1.40 2.79 3.00 0.87 -0.25 118.95 127.01 1om9 s ARG 556 Ca -0.01 -2.22 -0.02 0.00 0.00 0.00 0.00 55.73 53.48 1om9 s ARG 556 Cb -0.14 -1.28 0.01 0.00 0.00 0.00 0.00 34.95 33.54 1om9 s ARG 556 CO -0.07 -0.28 0.54 0.09 0.00 0.00 0.00 175.30 175.57 1om9 n ASN 557 N -1.12 -0.89 -4.63 0.23 3.02 -1.16 0.09 115.26 110.81 1om9 n ASN 557 Ca -0.11 -0.95 -0.42 0.00 -0.03 0.00 0.00 54.58 53.07 1om9 n ASN 557 Cb 0.67 -3.35 -0.04 0.00 -0.61 0.00 0.00 39.78 36.45 1om9 n ASN 557 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1om9 s ILE 558 N -3.82 4.69 -0.08 2.41 1.01 -0.89 -3.94 121.20 120.58 1om9 s ILE 558 Ca 0.07 1.46 0.02 0.00 0.00 0.00 0.00 60.65 62.20 1om9 s ILE 558 Cb -0.04 -4.25 0.01 0.00 0.01 0.00 0.00 42.46 38.19 1om9 s ILE 558 CO 0.87 -0.32 -0.12 -0.69 0.00 0.00 0.00 174.94 174.67 1om9 s VAL 559 N 3.22 1.20 -0.16 2.92 1.01 -0.57 -4.82 120.40 123.20 1om9 s VAL 559 Ca 0.38 -0.49 -0.01 0.00 0.00 0.00 0.00 61.98 61.86 1om9 s VAL 559 Cb -0.14 -1.11 -0.01 0.00 0.00 0.00 0.00 36.38 35.13 1om9 s VAL 559 CO 0.13 0.38 -0.13 0.12 0.00 0.00 0.00 175.10 175.60 1om9 s PHE 560 N 0.86 2.83 0.20 5.22 5.36 -1.26 -1.33 117.98 129.86 1om9 s PHE 560 Ca -0.11 -0.89 0.09 0.00 -0.96 0.00 0.00 56.93 55.07 1om9 s PHE 560 Cb -0.15 -1.91 -0.04 0.00 -0.34 0.00 0.00 43.02 40.57 1om9 s PHE 560 CO 0.01 -0.40 -0.19 -0.65 -1.46 0.00 0.00 175.22 172.54 1om9 s GLN 561 N 0.77 1.39 0.09 10.12 -0.21 -0.57 -4.99 119.66 126.26 1om9 s GLN 561 Ca -0.05 -1.53 -0.07 0.00 0.02 0.00 0.00 55.36 53.74 1om9 s GLN 561 Cb -0.15 -1.43 -0.01 0.00 1.00 0.00 0.00 33.01 32.41 1om9 s GLN 561 CO 0.01 0.28 0.14 -1.12 -2.12 0.00 0.00 175.29 172.48 1om9 s SER 562 N -2.95 0.20 0.10 5.90 0.01 -1.26 -1.70 113.70 114.00 1om9 s SER 562 Ca 0.20 -0.76 0.02 0.00 1.31 0.00 0.00 55.95 56.72 1om9 s SER 562 Cb -0.05 0.31 -0.04 0.00 0.21 0.00 0.00 66.02 66.45 1om9 s SER 562 CO 0.09 -0.71 -0.07 0.00 0.41 0.00 0.00 173.24 172.95 1om9 s ALA 563 N -3.89 0.99 0.07 1.44 0.00 -0.57 -4.98 121.76 114.82 1om9 s ALA 563 Ca 0.07 -1.35 -0.10 0.00 0.00 0.00 0.00 51.96 50.58 1om9 s ALA 563 Cb 0.06 0.15 0.01 0.00 0.00 0.00 0.00 23.12 23.34 1om9 s ALA 563 CO -0.10 -0.22 0.23 0.54 0.00 0.00 0.00 175.76 176.21 1om9 s VAL 564 N -3.58 0.12 0.13 0.00 0.11 -1.26 -1.60 120.40 114.32 1om9 s VAL 564 Ca 0.12 -0.97 -0.35 0.00 -2.93 0.00 0.00 61.98 57.85 1om9 s VAL 564 Cb 0.05 -1.16 -0.16 0.00 -1.53 0.00 0.00 36.38 33.58 1om9 s VAL 564 CO -0.04 -0.53 1.27 -2.65 -3.33 0.00 0.00 175.10 169.81 1om9 n PRO 565 N 0.19 1.21 -0.12 1.54 -0.02 -1.26 -4.88 135.00 131.66 1om9 n PRO 565 Ca -0.17 0.43 0.02 0.00 -2.02 0.00 0.00 63.50 61.77 1om9 n PRO 565 Cb 0.61 -2.01 0.05 0.00 -0.02 0.00 0.00 33.50 32.13 1om9 n PRO 565 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1om9 n LYS 566 N 2.18 -0.03 0.00 -0.52 5.02 -1.26 0.33 118.16 123.88 1om9 n LYS 566 Ca 0.17 0.50 0.03 0.00 -2.02 0.00 0.00 58.31 56.99 1om9 n LYS 566 Cb 0.22 -0.75 0.13 0.00 -0.02 0.00 0.00 35.03 34.61 1om9 n LYS 566 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1om9 n VAL 567 N -4.51 1.42 -4.26 -0.18 0.31 -1.26 -4.72 118.33 105.13 1om9 n VAL 567 Ca 0.05 0.36 -0.14 0.00 -0.01 0.00 0.00 64.34 64.60 1om9 n VAL 567 Cb 0.17 -1.25 -0.10 0.00 -0.91 0.00 0.00 33.84 31.74 1om9 n VAL 567 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1om9 s MET 568 N -2.89 1.17 0.29 5.55 0.23 0.15 -4.61 119.30 119.19 1om9 s MET 568 Ca 0.04 -1.57 0.10 0.00 -1.03 0.00 0.00 55.69 53.23 1om9 s MET 568 Cb 0.04 -0.34 -0.05 0.00 -1.53 0.00 0.00 34.83 32.94 1om9 s MET 568 CO 0.10 -0.13 -0.15 0.15 -2.03 0.00 0.00 175.02 172.97 1om9 s LYS 569 N -3.91 1.68 -0.03 3.16 -0.14 -0.56 -4.67 119.74 115.28 1om9 s LYS 569 Ca 0.25 -1.81 -0.01 0.00 -1.36 0.00 0.00 55.97 53.04 1om9 s LYS 569 Cb 0.06 -1.65 0.02 0.00 -1.68 0.00 0.00 37.83 34.58 1om9 s LYS 569 CO 0.05 0.24 0.06 0.54 -0.76 0.00 0.00 175.35 175.48 1om9 s VAL 570 N -2.62 -0.04 -0.01 3.17 0.11 -1.26 -1.11 120.40 118.64 1om9 s VAL 570 Ca 0.30 0.14 0.05 0.00 -2.93 0.00 0.00 61.98 59.55 1om9 s VAL 570 Cb -0.02 -0.12 -0.01 0.00 -1.53 0.00 0.00 36.38 34.70 1om9 s VAL 570 CO 0.15 0.06 -0.18 -0.75 -3.33 0.00 0.00 175.10 171.05 1om9 s LYS 571 N 0.77 1.43 -0.26 1.54 2.20 -0.46 -4.98 119.74 119.99 1om9 s LYS 571 Ca -0.06 -0.64 -0.02 0.00 -0.36 0.00 0.00 55.97 54.89 1om9 s LYS 571 Cb -0.09 -1.39 0.03 0.00 -1.51 0.00 0.00 37.83 34.88 1om9 s LYS 571 CO -0.03 0.38 -0.04 -0.51 -0.36 0.00 0.00 175.35 174.79 1om9 s LEU 572 N -0.42 3.37 0.66 5.43 1.02 -1.26 0.07 118.68 127.55 1om9 s LEU 572 Ca 0.07 -0.97 -0.16 0.00 0.02 0.00 0.00 54.13 53.10 1om9 s LEU 572 Cb -0.07 -1.68 0.00 0.00 0.02 0.00 0.00 46.19 44.47 1om9 s LEU 572 CO -0.01 -0.16 1.14 -1.10 0.02 0.00 0.00 176.35 176.25 1om9 s GLN 573 N 1.31 2.68 0.64 1.70 -0.21 -0.41 -4.95 119.66 120.41 1om9 s GLN 573 Ca -0.01 1.54 -0.18 0.00 0.02 0.00 0.00 55.36 56.73 1om9 s GLN 573 Cb -0.17 -1.92 -0.01 0.00 1.00 0.00 0.00 33.01 31.90 1om9 s GLN 573 CO -0.03 -1.37 1.29 -2.30 -2.12 0.00 0.00 175.29 170.75 1om9 n PRO 574 N -2.34 1.15 -1.99 2.91 -0.02 -1.26 -4.39 135.00 129.05 1om9 n PRO 574 Ca 0.12 0.45 -0.32 0.00 -2.02 0.00 0.00 63.50 61.73 1om9 n PRO 574 Cb 0.51 -2.52 0.01 0.00 -0.02 0.00 0.00 33.50 31.47 1om9 n PRO 574 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1om9 s PRO 575 N -3.32 3.47 0.58 0.52 0.04 -1.26 -4.54 135.00 130.50 1om9 s PRO 575 Ca 0.82 0.97 0.28 0.00 0.04 0.00 0.00 61.00 63.12 1om9 s PRO 575 Cb -0.38 -2.06 1.53 0.00 0.04 0.00 0.00 34.50 33.63 1om9 s PRO 575 CO 0.41 -0.67 1.98 0.66 0.04 0.00 0.00 177.00 179.41 1om9 h SER 576 N 0.13 0.00 -0.44 6.66 4.64 -0.92 -3.47 113.55 120.15 1om9 h SER 576 Ca -0.45 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 60.92 1om9 h SER 576 Cb 1.20 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 1om9 h SER 576 CO 0.59 0.00 0.14 0.61 -0.87 0.00 0.00 176.83 177.30 1om9 n GLY 577 N -1.48 0.55 0.00 -0.77 0.00 -1.26 -4.96 105.19 97.26 1om9 n GLY 577 Ca 0.06 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.22 1om9 n GLY 577 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1om9 n THR 578 N -0.14 0.07 -4.25 2.61 -2.24 -1.26 -4.95 114.28 104.12 1om9 n THR 578 Ca 0.01 -0.17 -0.14 0.00 -2.27 0.00 0.00 64.05 61.48 1om9 n THR 578 Cb 0.09 1.49 -0.10 0.00 -2.10 0.00 0.00 70.33 69.71 1om9 n THR 578 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1om9 s GLU 579 N -0.07 1.20 0.01 -0.78 -1.05 -1.26 -2.09 118.70 114.66 1om9 s GLU 579 Ca 0.00 -1.62 0.00 0.00 -0.15 0.00 0.00 54.97 53.21 1om9 s GLU 579 Cb 0.00 -0.13 -0.01 0.00 -0.44 0.00 0.00 34.13 33.55 1om9 s GLU 579 CO 0.00 -0.24 -0.02 -0.51 0.95 0.00 0.00 175.26 175.44 1om9 s LEU 580 N -3.21 2.10 0.65 1.83 1.43 0.65 -4.93 118.68 117.21 1om9 s LEU 580 Ca 0.31 -0.22 -0.15 0.00 -1.03 0.00 0.00 54.13 53.04 1om9 s LEU 580 Cb 0.07 0.01 -0.01 0.00 0.03 0.00 0.00 46.19 46.29 1om9 s LEU 580 CO 0.08 -0.12 1.10 -2.16 0.23 0.00 0.00 176.35 175.48 1om9 s PRO 581 N -0.63 2.92 0.85 1.29 0.04 -1.26 -1.25 135.00 136.97 1om9 s PRO 581 Ca -0.06 1.34 -0.14 0.00 0.04 0.00 0.00 61.00 62.18 1om9 s PRO 581 Cb -0.04 -1.97 0.03 0.00 0.04 0.00 0.00 34.50 32.56 1om9 s PRO 581 CO -0.00 -1.15 0.67 0.00 0.04 0.00 0.00 177.00 176.55 1om9 n ALA 582 N -2.35 -1.60 -1.85 8.56 0.00 -1.26 -4.64 120.51 117.37 1om9 n ALA 582 Ca 0.10 -0.44 -0.42 0.00 0.00 0.00 0.00 53.44 52.68 1om9 n ALA 582 Cb 0.52 -1.94 -0.03 0.00 0.00 0.00 0.00 19.45 18.00 1om9 n ALA 582 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1om9 s PHE 583 N -2.21 2.99 -0.10 0.00 5.36 -0.32 -4.93 117.98 118.78 1om9 s PHE 583 Ca 0.64 0.54 -0.01 0.00 -0.96 0.00 0.00 56.93 57.13 1om9 s PHE 583 Cb -0.27 -4.01 0.03 0.00 -0.34 0.00 0.00 43.02 38.43 1om9 s PHE 583 CO 0.60 -3.74 -0.02 1.21 -1.46 0.00 0.00 175.22 171.81 1om9 s ASN 584 N 1.11 1.91 0.55 6.13 3.04 -1.26 -4.96 114.94 121.47 1om9 s ASN 584 Ca 0.71 -0.22 0.23 0.00 0.04 0.00 0.00 52.86 53.62 1om9 s ASN 584 Cb -0.46 -0.60 1.48 0.00 -1.54 0.00 0.00 41.25 40.13 1om9 s ASN 584 CO 0.32 -0.18 2.12 -0.65 -3.04 0.00 0.00 177.10 175.68 1om9 h PRO 585 N 8.27 0.00 0.08 0.43 0.11 -2.00 -2.84 132.00 136.05 1om9 h PRO 585 Ca -0.23 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.60 1om9 h PRO 585 Cb 1.13 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1om9 h PRO 585 CO 0.32 0.00 -1.40 0.82 -0.21 0.00 0.00 178.00 177.53 1om9 h ILE 586 N 0.00 1.29 -2.80 4.15 1.08 -2.02 -3.47 117.51 115.74 1om9 h ILE 586 Ca 0.08 -2.96 -0.48 0.00 -0.39 0.00 0.00 64.86 61.11 1om9 h ILE 586 Cb 0.34 2.77 0.01 0.00 -3.07 0.00 0.00 36.82 36.86 1om9 h ILE 586 CO -0.00 0.82 -0.21 0.68 -0.69 0.00 0.00 178.15 178.75 1om9 s VAL 587 N -2.64 5.12 0.48 1.67 -7.23 -1.07 -5.08 120.40 111.65 1om9 s VAL 587 Ca -0.06 -0.45 -0.24 0.00 -1.81 0.00 0.00 61.98 59.43 1om9 s VAL 587 Cb 0.08 -3.84 -0.07 0.00 0.56 0.00 0.00 36.38 33.11 1om9 s VAL 587 CO 0.85 -0.50 1.35 -1.38 -0.31 0.00 0.00 175.10 175.11 1om9 s HIS 588 N -2.25 2.48 0.47 2.82 -3.43 -1.26 -4.79 115.29 109.33 1om9 s HIS 588 Ca 0.40 1.36 -0.22 0.00 -0.80 0.00 0.00 55.06 55.80 1om9 s HIS 588 Cb -0.10 -3.77 -0.07 0.00 -1.43 0.00 0.00 32.58 27.20 1om9 s HIS 588 CO 0.35 -2.64 1.12 -1.25 -2.00 0.00 0.00 174.74 170.32 1om9 s PRO 589 N -2.64 3.75 0.15 -0.38 0.04 -1.26 -5.02 135.00 129.65 1om9 s PRO 589 Ca 0.65 1.65 0.04 0.00 0.04 0.00 0.00 61.00 63.38 1om9 s PRO 589 Cb -0.40 -2.32 -0.04 0.00 0.04 0.00 0.00 34.50 31.79 1om9 s PRO 589 CO 0.49 -0.53 0.20 -1.12 0.04 0.00 0.00 177.00 176.09 1om9 s SER 590 N -1.54 5.92 0.00 6.66 0.01 -1.26 -5.12 113.70 118.38 1om9 s SER 590 Ca 0.65 0.03 0.03 0.00 1.31 0.00 0.00 55.95 57.97 1om9 s SER 590 Cb -0.25 -1.68 -0.01 0.00 0.21 0.00 0.00 66.02 64.29 1om9 s SER 590 CO 0.30 0.07 -0.11 0.00 0.41 0.00 0.00 173.24 173.92 1om9 s ALA 591 N -1.71 0.92 -0.06 1.44 0.00 -1.26 -4.15 121.76 116.94 1om9 s ALA 591 Ca 0.33 -0.54 -0.17 0.00 0.00 0.00 0.00 51.96 51.58 1om9 s ALA 591 Cb -0.11 -0.20 -0.05 0.00 0.00 0.00 0.00 23.12 22.76 1om9 s ALA 591 CO 0.26 0.21 0.46 0.42 0.00 0.00 0.00 175.76 177.11 1om9 s ILE 592 N -0.41 5.09 0.03 0.00 1.01 -0.69 -4.96 121.20 121.28 1om9 s ILE 592 Ca 0.03 0.94 0.06 0.00 0.00 0.00 0.00 60.65 61.68 1om9 s ILE 592 Cb -0.05 -3.79 -0.03 0.00 0.01 0.00 0.00 42.46 38.60 1om9 s ILE 592 CO -0.00 0.43 -0.14 -0.89 0.00 0.00 0.00 174.94 174.34 1om9 s THR 593 N -0.11 3.06 -0.14 2.92 2.01 -1.26 -1.22 115.64 120.90 1om9 s THR 593 Ca 0.25 -1.07 -0.06 0.00 0.31 0.00 0.00 61.69 61.12 1om9 s THR 593 Cb -0.16 -2.31 0.06 0.00 0.01 0.00 0.00 72.50 70.10 1om9 s THR 593 CO 0.12 0.34 0.31 -1.58 -0.69 0.00 0.00 174.62 173.13 1om9 s GLN 594 N -1.46 0.25 0.07 4.92 0.74 -0.53 -0.16 119.66 123.49 1om9 s GLN 594 Ca 0.16 0.71 -0.21 0.00 0.05 0.00 0.00 55.36 56.07 1om9 s GLN 594 Cb -0.11 -0.02 -0.07 0.00 1.10 0.00 0.00 33.01 33.91 1om9 s GLN 594 CO 0.06 -0.20 0.62 0.08 -0.55 0.00 0.00 175.29 175.30 1om9 s VAL 595 N 1.73 4.72 -0.07 1.34 1.01 -1.26 -0.93 120.40 126.94 1om9 s VAL 595 Ca -0.06 1.32 0.00 0.00 0.00 0.00 0.00 61.98 63.24 1om9 s VAL 595 Cb -0.10 -3.95 0.02 0.00 0.00 0.00 0.00 36.38 32.35 1om9 s VAL 595 CO -0.10 0.51 -0.05 -0.22 0.00 0.00 0.00 175.10 175.24 1om9 s LEU 596 N -0.86 1.10 0.01 3.92 0.20 -0.12 -1.29 118.68 121.63 1om9 s LEU 596 Ca 0.31 -0.17 0.02 0.00 0.69 0.00 0.00 54.13 54.98 1om9 s LEU 596 Cb -0.20 -0.57 -0.04 0.00 -0.43 0.00 0.00 46.19 44.95 1om9 s LEU 596 CO 0.20 -0.10 -0.01 -0.76 -0.29 0.00 0.00 176.35 175.39 1om9 s LEU 597 N 1.39 3.45 -0.14 -0.68 1.43 0.11 -0.61 118.68 123.64 1om9 s LEU 597 Ca -0.03 -0.05 -0.04 0.00 -1.03 0.00 0.00 54.13 52.98 1om9 s LEU 597 Cb -0.13 -2.01 0.06 0.00 0.03 0.00 0.00 46.19 44.13 1om9 s LEU 597 CO -0.03 0.27 0.11 -0.22 0.23 0.00 0.00 176.35 176.71 1om9 s LEU 598 N -1.64 0.18 -0.33 1.79 2.96 -0.17 -1.35 118.68 120.12 1om9 s LEU 598 Ca 0.20 -0.30 -0.12 0.00 -0.22 0.00 0.00 54.13 53.69 1om9 s LEU 598 Cb -0.11 -0.06 -0.01 0.00 0.50 0.00 0.00 46.19 46.50 1om9 s LEU 598 CO 0.11 -0.31 0.21 0.00 -1.32 0.00 0.00 176.35 175.04 1om9 s ALA 599 N 2.19 3.42 -0.57 5.97 0.00 -0.27 -0.66 121.76 131.84 1om9 s ALA 599 Ca 0.04 -1.41 0.06 0.00 0.00 0.00 0.00 51.96 50.65 1om9 s ALA 599 Cb -0.15 -2.57 0.27 0.00 0.00 0.00 0.00 23.12 20.67 1om9 s ALA 599 CO -0.08 -0.98 0.75 -1.71 0.00 0.00 0.00 175.76 173.74 1om9 n ASN 600 N 5.06 3.17 -0.11 0.00 5.15 -0.02 -1.49 115.26 127.01 1om9 n ASN 600 Ca -0.13 -3.35 -0.09 0.00 -0.60 0.00 0.00 54.58 50.41 1om9 n ASN 600 Cb 0.49 -0.64 -0.04 0.00 -0.53 0.00 0.00 39.78 39.06 1om9 n ASN 600 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 1om9 h PRO 601 N 3.84 -0.31 0.00 1.20 0.11 -1.82 -2.14 132.00 132.89 1om9 h PRO 601 Ca 0.16 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1om9 h PRO 601 Cb 0.68 0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.86 1om9 h PRO 601 CO 0.75 -0.21 0.00 1.04 -0.21 0.00 0.00 178.00 179.38 1om9 n GLN 602 N -5.42 0.20 -2.70 1.05 6.02 -1.26 -4.91 117.38 110.37 1om9 n GLN 602 Ca -0.00 0.45 -0.10 0.00 -0.01 0.00 0.00 57.00 57.33 1om9 n GLN 602 Cb 0.35 -1.90 0.02 0.00 1.02 0.00 0.00 30.24 29.73 1om9 n GLN 602 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1om9 n LYS 603 N -2.28 -2.53 -2.51 -1.09 5.02 -0.80 -5.04 118.16 108.93 1om9 n LYS 603 Ca 0.02 0.39 -0.22 0.00 -2.02 0.00 0.00 58.31 56.48 1om9 n LYS 603 Cb 0.22 -4.15 0.05 0.00 -0.02 0.00 0.00 35.03 31.12 1om9 n LYS 603 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1om9 s GLU 604 N -5.19 2.44 -0.12 1.97 2.02 -1.26 -4.79 118.70 113.77 1om9 s GLU 604 Ca 0.17 -0.63 -0.35 0.00 0.02 0.00 0.00 54.97 54.18 1om9 s GLU 604 Cb -0.07 -2.39 -0.12 0.00 0.10 0.00 0.00 34.13 31.64 1om9 s GLU 604 CO 0.21 -0.87 1.89 1.17 0.02 0.00 0.00 175.26 177.67 1om9 n LYS 605 N -2.52 2.03 -2.49 1.61 4.81 -1.26 -4.78 118.16 115.56 1om9 n LYS 605 Ca 0.08 0.74 -0.42 0.00 -0.87 0.00 0.00 58.31 57.84 1om9 n LYS 605 Cb 0.60 -2.59 -0.03 0.00 0.02 0.00 0.00 35.03 33.03 1om9 n LYS 605 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1om9 s VAL 606 N 4.21 4.27 0.15 3.15 1.01 -1.26 -5.03 120.40 126.90 1om9 s VAL 606 Ca 0.94 1.62 0.07 0.00 0.00 0.00 0.00 61.98 64.61 1om9 s VAL 606 Cb -0.74 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 31.57 1om9 s VAL 606 CO 0.53 0.10 -0.15 -0.13 0.00 0.00 0.00 175.10 175.45 1om9 s ARG 607 N 1.30 1.14 -0.15 2.72 0.52 -1.26 -4.74 118.95 118.48 1om9 s ARG 607 Ca 0.57 -1.36 -0.07 0.00 -0.52 0.00 0.00 55.73 54.34 1om9 s ARG 607 Cb -0.27 -1.01 0.06 0.00 0.52 0.00 0.00 34.95 34.25 1om9 s ARG 607 CO 0.27 0.19 0.34 -1.17 0.02 0.00 0.00 175.30 174.95 1om9 s LEU 608 N -2.72 0.00 0.22 2.53 0.20 -0.89 -4.27 118.68 113.75 1om9 s LEU 608 Ca 0.14 0.75 0.00 0.00 0.69 0.00 0.00 54.13 55.71 1om9 s LEU 608 Cb -0.04 1.08 -0.04 0.00 -0.43 0.00 0.00 46.19 46.77 1om9 s LEU 608 CO 0.04 -0.19 0.39 -0.13 -0.29 0.00 0.00 176.35 176.17 1om9 s ARG 609 N 1.56 3.50 0.06 1.98 0.52 -0.63 -0.77 118.95 125.17 1om9 s ARG 609 Ca -0.08 -0.42 -0.08 0.00 -0.52 0.00 0.00 55.73 54.63 1om9 s ARG 609 Cb -0.10 -2.84 -0.00 0.00 0.52 0.00 0.00 34.95 32.53 1om9 s ARG 609 CO -0.11 0.39 0.17 1.52 0.02 0.00 0.00 175.30 177.29 1om9 s TYR 610 N -1.92 0.13 -0.01 -0.53 -0.85 0.10 -1.51 117.35 112.75 1om9 s TYR 610 Ca 0.38 -0.44 0.04 0.00 -0.52 0.00 0.00 57.07 56.53 1om9 s TYR 610 Cb -0.11 -0.07 -0.01 0.00 0.38 0.00 0.00 41.96 42.15 1om9 s TYR 610 CO 0.30 -0.46 -0.14 0.15 -1.52 0.00 0.00 175.55 173.87 1om9 s LYS 611 N -3.08 1.16 -0.04 -3.49 1.02 -0.69 -1.64 119.74 112.98 1om9 s LYS 611 Ca -0.01 -0.51 -0.00 0.00 0.02 0.00 0.00 55.97 55.46 1om9 s LYS 611 Cb 0.01 -1.12 0.03 0.00 -0.52 0.00 0.00 37.83 36.23 1om9 s LYS 611 CO -0.07 0.31 0.01 -1.17 -0.92 0.00 0.00 175.35 173.51 1om9 s LEU 612 N -0.33 0.87 -0.04 3.17 2.96 -0.07 -1.51 118.68 123.73 1om9 s LEU 612 Ca 0.05 -0.03 0.06 0.00 -0.22 0.00 0.00 54.13 54.00 1om9 s LEU 612 Cb -0.06 -0.27 -0.01 0.00 0.50 0.00 0.00 46.19 46.36 1om9 s LEU 612 CO -0.01 -0.14 -0.22 0.28 -1.32 0.00 0.00 176.35 174.94 1om9 s THR 613 N 1.42 1.80 0.26 3.68 -1.32 -0.44 -1.10 115.64 119.94 1om9 s THR 613 Ca -0.04 -0.95 -0.18 0.00 -1.21 0.00 0.00 61.69 59.31 1om9 s THR 613 Cb -0.13 -1.52 0.01 0.00 -1.51 0.00 0.00 72.50 69.36 1om9 s THR 613 CO -0.03 0.51 0.62 0.72 -2.21 0.00 0.00 174.62 174.23 1om9 s PHE 614 N -0.27 -0.00 -0.01 9.09 -0.12 -1.05 -1.52 117.98 124.11 1om9 s PHE 614 Ca 0.01 -0.41 0.04 0.00 -0.05 0.00 0.00 56.93 56.53 1om9 s PHE 614 Cb -0.11 0.50 -0.01 0.00 -0.63 0.00 0.00 43.02 42.77 1om9 s PHE 614 CO 0.01 -1.12 -0.13 0.99 -0.05 0.00 0.00 175.22 174.93 1om9 s THR 615 N -3.95 1.00 -0.20 -4.49 2.01 0.11 -1.36 115.64 108.76 1om9 s THR 615 Ca 0.15 -0.57 -0.04 0.00 0.31 0.00 0.00 61.69 61.53 1om9 s THR 615 Cb -0.04 -0.84 0.10 0.00 0.01 0.00 0.00 72.50 71.73 1om9 s THR 615 CO 0.06 0.26 0.23 -0.32 -0.69 0.00 0.00 174.62 174.17 1om9 s MET 616 N -0.36 0.20 6.68 4.92 0.00 -0.31 -0.09 119.30 130.33 1om9 s MET 616 Ca 0.05 0.25 0.00 0.00 0.00 0.00 0.00 55.69 55.98 1om9 s MET 616 Cb -0.05 -1.11 0.00 0.00 0.00 0.00 0.00 34.83 33.67 1om9 s MET 616 CO -0.00 -0.64 0.00 0.41 0.00 0.00 0.00 175.02 174.79 1om9 n GLY 617 N 5.32 2.75 0.18 2.11 0.00 -1.26 -2.08 105.19 112.22 1om9 n GLY 617 Ca -0.05 -0.34 0.10 0.00 0.00 0.00 0.00 46.02 45.73 1om9 n GLY 617 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1om9 n ASP 618 N 3.61 0.55 -4.43 1.61 8.00 -1.26 -4.87 116.55 119.76 1om9 n ASP 618 Ca 0.00 -1.51 -0.33 0.00 0.71 0.00 0.00 54.79 53.66 1om9 n ASP 618 Cb 0.00 -0.03 -0.14 0.00 -0.02 0.00 0.00 41.12 40.93 1om9 n ASP 618 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1om9 s GLN 619 N -1.93 2.93 0.01 -1.24 -1.52 -0.88 -5.11 119.66 111.92 1om9 s GLN 619 Ca 0.29 -0.68 0.00 0.00 -1.95 0.00 0.00 55.36 53.03 1om9 s GLN 619 Cb 0.14 -2.51 -0.04 0.00 -0.22 0.00 0.00 33.01 30.39 1om9 s GLN 619 CO 0.23 0.43 0.08 0.99 -0.25 0.00 0.00 175.29 176.77 1om9 s THR 620 N -0.23 4.67 -0.04 -0.19 2.01 -1.26 -1.16 115.64 119.44 1om9 s THR 620 Ca 0.01 -0.49 0.05 0.00 0.31 0.00 0.00 61.69 61.57 1om9 s THR 620 Cb -0.13 -3.16 -0.01 0.00 0.01 0.00 0.00 72.50 69.21 1om9 s THR 620 CO 0.03 0.30 -0.18 -0.31 -0.69 0.00 0.00 174.62 173.77 1om9 s TYR 621 N -1.23 1.78 -0.19 4.92 1.51 -0.47 -5.01 117.35 118.66 1om9 s TYR 621 Ca 0.24 -0.48 -0.01 0.00 -1.01 0.00 0.00 57.07 55.81 1om9 s TYR 621 Cb -0.12 -1.19 0.05 0.00 -0.11 0.00 0.00 41.96 40.60 1om9 s TYR 621 CO 0.16 -0.14 -0.01 -0.80 -1.11 0.00 0.00 175.55 173.65 1om9 s ASN 622 N -0.08 2.97 0.01 2.29 0.01 -1.26 -2.52 114.94 116.36 1om9 s ASN 622 Ca -0.02 -0.79 0.05 0.00 -0.71 0.00 0.00 52.86 51.39 1om9 s ASN 622 Cb -0.11 -0.77 -0.03 0.00 0.41 0.00 0.00 41.25 40.75 1om9 s ASN 622 CO 0.02 -0.25 -0.12 -0.70 -1.51 0.00 0.00 177.10 174.53 1om9 s GLU 623 N 1.72 2.36 -0.06 -0.60 2.56 -0.26 -4.97 118.70 119.45 1om9 s GLU 623 Ca -0.01 -0.82 -0.00 0.00 0.00 0.00 0.00 54.97 54.13 1om9 s GLU 623 Cb -0.17 -2.36 0.03 0.00 2.00 0.00 0.00 34.13 33.63 1om9 s GLU 623 CO -0.07 0.58 -0.02 1.41 -0.56 0.00 0.00 175.26 176.59 1om9 s MET 624 N -1.36 0.73 0.00 4.30 -2.45 -1.26 -0.89 119.30 118.36 1om9 s MET 624 Ca 0.16 0.00 0.00 0.00 -1.25 0.00 0.00 55.69 54.60 1om9 s MET 624 Cb -0.11 -0.92 0.00 0.00 1.25 0.00 0.00 34.83 35.05 1om9 s MET 624 CO 0.06 -0.20 0.00 0.41 1.05 0.00 0.00 175.02 176.34 1om9 n GLY 625 N 4.63 3.85 3.53 2.11 0.00 -0.65 -4.98 105.19 113.68 1om9 n GLY 625 Ca -0.16 -0.67 -0.09 0.00 0.00 0.00 0.00 46.02 45.10 1om9 n GLY 625 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1om9 s ASP 626 N 1.75 -0.23 -0.01 1.61 -4.77 -1.26 -0.72 116.67 113.03 1om9 s ASP 626 Ca 0.00 -0.53 0.01 0.00 -3.30 0.00 0.00 52.55 48.72 1om9 s ASP 626 Cb 0.00 0.58 0.01 0.00 -1.09 0.00 0.00 42.92 42.42 1om9 s ASP 626 CO 0.00 -1.06 -0.02 -0.69 0.70 0.00 0.00 175.17 174.10 1om9 s VAL 627 N -3.89 0.21 -0.00 2.11 1.01 0.05 -4.99 120.40 114.90 1om9 s VAL 627 Ca 0.10 -0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.06 1om9 s VAL 627 Cb -0.01 -0.23 0.01 0.00 0.00 0.00 0.00 36.38 36.15 1om9 s VAL 627 CO -0.02 0.10 0.76 -0.90 0.00 0.00 0.00 175.10 175.04 1om9 n ASP 628 N 3.51 0.18 -4.05 3.32 5.68 -1.26 -2.09 116.55 121.84 1om9 n ASP 628 Ca -0.19 -1.54 -0.43 0.00 -0.50 0.00 0.00 54.79 52.13 1om9 n ASP 628 Cb 0.55 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.44 1om9 n ASP 628 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1om9 n GLN 629 N -0.08 3.80 -4.06 0.11 6.02 -1.26 -4.95 117.38 116.96 1om9 n GLN 629 Ca 0.01 -3.94 -0.29 0.00 -0.01 0.00 0.00 57.00 52.76 1om9 n GLN 629 Cb 0.58 -2.80 -0.06 0.00 1.02 0.00 0.00 30.24 28.97 1om9 n GLN 629 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1om9 s PHE 630 N -0.41 3.16 0.37 1.08 0.40 -1.26 -4.96 117.98 116.36 1om9 s PHE 630 Ca 0.37 0.04 -0.27 0.00 -0.60 0.00 0.00 56.93 56.47 1om9 s PHE 630 Cb 0.04 -1.58 -0.09 0.00 0.51 0.00 0.00 43.02 41.90 1om9 s PHE 630 CO 0.02 0.52 1.27 -2.14 0.70 0.00 0.00 175.22 175.59 1om9 s PRO 631 N -2.58 4.17 0.29 0.24 0.02 -1.26 -4.92 135.00 130.96 1om9 s PRO 631 Ca 0.29 2.11 -0.30 0.00 0.02 0.00 0.00 61.00 63.13 1om9 s PRO 631 Cb -0.12 -2.89 -0.13 0.00 0.02 0.00 0.00 34.50 31.38 1om9 s PRO 631 CO 0.22 -0.31 1.30 -2.30 -0.33 0.00 0.00 177.00 175.59 1om9 n PRO 632 N 0.45 1.97 0.08 5.54 -0.02 -1.26 -4.84 135.00 136.91 1om9 n PRO 632 Ca 0.02 0.70 0.08 0.00 -2.02 0.00 0.00 63.50 62.27 1om9 n PRO 632 Cb 0.43 -2.28 0.36 0.00 -0.02 0.00 0.00 33.50 31.99 1om9 n PRO 632 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1om9 n PRO 633 N 1.25 0.09 0.18 0.52 -0.02 -1.26 -1.48 135.00 134.28 1om9 n PRO 633 Ca 0.09 0.46 0.07 0.00 -2.02 0.00 0.00 63.50 62.10 1om9 n PRO 633 Cb 0.33 -1.73 0.11 0.00 -0.02 0.00 0.00 33.50 32.19 1om9 n PRO 633 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1om9 h GLU 634 N 0.00 0.00 -0.01 -0.52 3.07 -1.89 -3.28 114.58 111.95 1om9 h GLU 634 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1om9 h GLU 634 Cb 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.06 1om9 h GLU 634 CO 0.00 0.24 -0.06 0.25 -1.40 0.00 0.00 179.01 178.04 1om9 n THR 635 N -3.16 0.00 0.29 1.13 -2.24 -0.55 -4.28 114.28 105.46 1om9 n THR 635 Ca 0.03 -0.11 0.17 0.00 -2.27 0.00 0.00 64.05 61.87 1om9 n THR 635 Cb 0.63 0.01 0.85 0.00 -2.10 0.00 0.00 70.33 69.72 1om9 n THR 635 CO 0.00 0.00 0.00 -0.50 -0.57 0.00 0.00 175.07 174.00 1om9 h TRP 636 N 1.00 0.00 0.11 4.78 4.06 -1.70 -0.73 115.95 123.46 1om9 h TRP 636 Ca 0.00 0.00 -0.28 0.00 2.06 0.00 0.00 58.89 60.67 1om9 h TRP 636 Cb 0.32 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.48 1om9 h TRP 636 CO 0.00 0.05 -1.33 0.78 -3.56 0.00 0.00 178.44 174.38 1om9 h GLY 637 N 1.00 0.27 -3.61 1.49 0.00 -1.76 -3.39 103.07 97.09 1om9 h GLY 637 Ca -0.00 -0.70 -0.44 0.00 0.00 0.00 0.00 47.33 46.19 1om9 h GLY 637 CO 0.01 0.61 0.57 -1.14 0.00 0.00 0.00 176.54 176.59 1om9 n SER 638 N -3.48 5.65 -0.04 0.19 3.41 -0.28 -5.00 113.62 114.07 1om9 n SER 638 Ca -0.11 -3.30 0.00 0.00 -0.26 0.00 0.00 58.87 55.20 1om9 n SER 638 Cb 1.03 -0.91 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 1om9 n SER 638 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06